smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000049235071 348446047 /nfs/dbraw/zinc/44/60/47/348446047.db2.gz PLQJPEYJXXAMDK-ZYHUDNBSSA-N 2 2 294.315 0.027 20 5 CCBDLP C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](C[NH3+])C1 ZINC000420331699 358179580 /nfs/dbraw/zinc/17/95/80/358179580.db2.gz IWVNSAQLXJDWJP-GHMZBOCLSA-N 2 2 267.333 0.851 20 5 CCBDLP C[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](C[NH3+])C1 ZINC000420331699 358179581 /nfs/dbraw/zinc/17/95/81/358179581.db2.gz IWVNSAQLXJDWJP-GHMZBOCLSA-N 2 2 267.333 0.851 20 5 CCBDLP COc1ccc(NC(=O)C[N@H+](C)CCC[NH3+])c([N+](=O)[O-])c1 ZINC000592473578 359849463 /nfs/dbraw/zinc/84/94/63/359849463.db2.gz BUHYLKRTPZRXHS-UHFFFAOYSA-N 2 2 296.327 0.823 20 5 CCBDLP COc1ccc(NC(=O)C[N@@H+](C)CCC[NH3+])c([N+](=O)[O-])c1 ZINC000592473578 359849466 /nfs/dbraw/zinc/84/94/66/359849466.db2.gz BUHYLKRTPZRXHS-UHFFFAOYSA-N 2 2 296.327 0.823 20 5 CCBDLP O=[N+]([O-])c1ccn(CC[N@@H+]2CCn3c[nH+]cc3C2)n1 ZINC000595496126 360551636 /nfs/dbraw/zinc/55/16/36/360551636.db2.gz WLMRHKKKEQZCFN-UHFFFAOYSA-N 2 2 262.273 0.504 20 5 CCBDLP O=[N+]([O-])c1ccn(CC[N@H+]2CCn3c[nH+]cc3C2)n1 ZINC000595496126 360551644 /nfs/dbraw/zinc/55/16/44/360551644.db2.gz WLMRHKKKEQZCFN-UHFFFAOYSA-N 2 2 262.273 0.504 20 5 CCBDLP C[NH2+]C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000430969197 389842058 /nfs/dbraw/zinc/84/20/58/389842058.db2.gz YTRQELXIANXLRG-UHFFFAOYSA-N 2 2 253.306 0.475 20 5 CCBDLP C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1(C[NH3+])CCOCC1 ZINC000903808398 616127641 /nfs/dbraw/zinc/12/76/41/616127641.db2.gz IVNAHXQNDVSFEW-UHFFFAOYSA-N 2 2 283.332 0.231 20 5 CCBDLP C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1(C[NH3+])CCOCC1 ZINC000903808398 616127642 /nfs/dbraw/zinc/12/76/42/616127642.db2.gz IVNAHXQNDVSFEW-UHFFFAOYSA-N 2 2 283.332 0.231 20 5 CCBDLP C[NH+]1CCN(C[C@@H]([NH2+]CC[N+](=O)[O-])c2ccccc2)CC1 ZINC000905090497 616242844 /nfs/dbraw/zinc/24/28/44/616242844.db2.gz WMYQGCSHELRXQZ-OAHLLOKOSA-N 2 2 292.383 0.841 20 5 CCBDLP C[N@@H+]1CC[C@@H]2C[NH+](CCn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000879574003 616333814 /nfs/dbraw/zinc/33/38/14/616333814.db2.gz VOVOJQBRMCDPPJ-DGCLKSJQSA-N 2 2 279.344 0.817 20 5 CCBDLP C[N@H+]1CC[C@@H]2C[NH+](CCn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000879574003 616333818 /nfs/dbraw/zinc/33/38/18/616333818.db2.gz VOVOJQBRMCDPPJ-DGCLKSJQSA-N 2 2 279.344 0.817 20 5 CCBDLP C[NH+]1CC[C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000879574003 616333823 /nfs/dbraw/zinc/33/38/23/616333823.db2.gz VOVOJQBRMCDPPJ-DGCLKSJQSA-N 2 2 279.344 0.817 20 5 CCBDLP C[NH+]1CC[C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000879574003 616333827 /nfs/dbraw/zinc/33/38/27/616333827.db2.gz VOVOJQBRMCDPPJ-DGCLKSJQSA-N 2 2 279.344 0.817 20 5 CCBDLP [NH3+]C[C@]1(Nc2cc([N+](=O)[O-])cc[n+]2[O-])C[NH+]2CCC1CC2 ZINC001160508940 801953523 /nfs/dbraw/zinc/95/35/23/801953523.db2.gz KZGHJZAYKAKYEO-ZDUSSCGKSA-N 2 2 293.327 0.063 20 5 CCBDLP C[NH+](C)C[C@H](O)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000717338450 848236440 /nfs/dbraw/zinc/23/64/40/848236440.db2.gz DZCRLGBNZQZGPU-OLZOCXBDSA-N 2 2 283.328 0.140 20 5 CCBDLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001335190333 920006198 /nfs/dbraw/zinc/00/61/98/920006198.db2.gz PBVOVWYCQAPZQB-DRZSPHRISA-N 2 2 263.297 0.761 20 5 CCBDLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001335190333 920006207 /nfs/dbraw/zinc/00/62/07/920006207.db2.gz PBVOVWYCQAPZQB-DRZSPHRISA-N 2 2 263.297 0.761 20 5 CCBDLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000358160234 529800894 /nfs/dbraw/zinc/80/08/94/529800894.db2.gz KCOARIFTBVDCEU-CYBMUJFWSA-N 2 2 265.313 0.751 20 5 CCBDLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000358160234 529800895 /nfs/dbraw/zinc/80/08/95/529800895.db2.gz KCOARIFTBVDCEU-CYBMUJFWSA-N 2 2 265.313 0.751 20 5 CCBDLP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000602835253 362826833 /nfs/dbraw/zinc/82/68/33/362826833.db2.gz ZCULPRADLWATRS-UHFFFAOYSA-N 2 2 276.300 0.881 20 5 CCBDLP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000602835253 362826837 /nfs/dbraw/zinc/82/68/37/362826837.db2.gz ZCULPRADLWATRS-UHFFFAOYSA-N 2 2 276.300 0.881 20 5 CCBDLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000565234235 291364436 /nfs/dbraw/zinc/36/44/36/291364436.db2.gz SHLZIZMBKRWJTO-STQMWFEESA-N 2 2 290.323 0.339 20 5 CCBDLP C[N@@H+]1CC[C@@H]2C[NH+](CCn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000879574005 616334746 /nfs/dbraw/zinc/33/47/46/616334746.db2.gz VOVOJQBRMCDPPJ-YPMHNXCESA-N 2 2 279.344 0.817 20 5 CCBDLP C[N@H+]1CC[C@@H]2C[NH+](CCn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000879574005 616334750 /nfs/dbraw/zinc/33/47/50/616334750.db2.gz VOVOJQBRMCDPPJ-YPMHNXCESA-N 2 2 279.344 0.817 20 5 CCBDLP C[NH+]1CC[C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000879574005 616334754 /nfs/dbraw/zinc/33/47/54/616334754.db2.gz VOVOJQBRMCDPPJ-YPMHNXCESA-N 2 2 279.344 0.817 20 5 CCBDLP C[NH+]1CC[C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000879574005 616334760 /nfs/dbraw/zinc/33/47/60/616334760.db2.gz VOVOJQBRMCDPPJ-YPMHNXCESA-N 2 2 279.344 0.817 20 5 CCBDLP C[N@@H+]1CC[C@H]2C[NH+](CCn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000879574002 616444128 /nfs/dbraw/zinc/44/41/28/616444128.db2.gz VOVOJQBRMCDPPJ-AAEUAGOBSA-N 2 2 279.344 0.817 20 5 CCBDLP C[N@H+]1CC[C@H]2C[NH+](CCn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000879574002 616444131 /nfs/dbraw/zinc/44/41/31/616444131.db2.gz VOVOJQBRMCDPPJ-AAEUAGOBSA-N 2 2 279.344 0.817 20 5 CCBDLP C[NH+]1CC[C@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000879574002 616444134 /nfs/dbraw/zinc/44/41/34/616444134.db2.gz VOVOJQBRMCDPPJ-AAEUAGOBSA-N 2 2 279.344 0.817 20 5 CCBDLP C[NH+]1CC[C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000879574002 616444139 /nfs/dbraw/zinc/44/41/39/616444139.db2.gz VOVOJQBRMCDPPJ-AAEUAGOBSA-N 2 2 279.344 0.817 20 5 CCBDLP COc1cc(NC(=[NH2+])N2CC[NH+](C)CC2)cnc1[N+](=O)[O-] ZINC001168740405 818602131 /nfs/dbraw/zinc/60/21/31/818602131.db2.gz ICYFVBIMZKILFC-UHFFFAOYSA-N 2 2 294.315 0.592 20 5 CCBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cnc(F)c([N+](=O)[O-])c1 ZINC001169073777 836126976 /nfs/dbraw/zinc/12/69/76/836126976.db2.gz CELDMWUFJJHYTF-SSDOTTSWSA-N 2 2 281.247 0.177 20 5 CCBDLP C[NH+](C)C[C@H](O)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000717338449 848236356 /nfs/dbraw/zinc/23/63/56/848236356.db2.gz DZCRLGBNZQZGPU-CHWSQXEVSA-N 2 2 283.328 0.140 20 5 CCBDLP O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)n1 ZINC000601333167 362229420 /nfs/dbraw/zinc/22/94/20/362229420.db2.gz BQGYXENBIOPGLF-VXGBXAGGSA-N 2 2 279.344 0.865 20 5 CCBDLP O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)n1 ZINC000601333167 362229425 /nfs/dbraw/zinc/22/94/25/362229425.db2.gz BQGYXENBIOPGLF-VXGBXAGGSA-N 2 2 279.344 0.865 20 5 CCBDLP NC(=O)c1ccc(C[NH+]2CCC([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000036754177 348170221 /nfs/dbraw/zinc/17/02/21/348170221.db2.gz BDKWQPXHFFMFLL-UHFFFAOYSA-N 2 2 278.312 0.617 20 5 CCBDLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000603431299 363129389 /nfs/dbraw/zinc/12/93/89/363129389.db2.gz VRYVWUIOHCJPFP-DTWKUNHWSA-N 2 2 253.306 0.497 20 5 CCBDLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000603431299 363129394 /nfs/dbraw/zinc/12/93/94/363129394.db2.gz VRYVWUIOHCJPFP-DTWKUNHWSA-N 2 2 253.306 0.497 20 5 CCBDLP C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CC[NH+](CCO)CC1 ZINC000350072947 389484378 /nfs/dbraw/zinc/48/43/78/389484378.db2.gz JOKGAPMHACTZTN-UHFFFAOYSA-N 2 2 297.359 0.180 20 5 CCBDLP C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CC[NH+](CCO)CC1 ZINC000350072947 389484380 /nfs/dbraw/zinc/48/43/80/389484380.db2.gz JOKGAPMHACTZTN-UHFFFAOYSA-N 2 2 297.359 0.180 20 5 CCBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000520492175 390578022 /nfs/dbraw/zinc/57/80/22/390578022.db2.gz DVLHJEBTXSDITD-LBPRGKRZSA-N 2 2 294.315 0.029 20 5 CCBDLP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000903858806 634668829 /nfs/dbraw/zinc/66/88/29/634668829.db2.gz ZQVMWQBAXOWPSL-CMPLNLGQSA-N 2 2 265.317 0.605 20 5 CCBDLP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000903858806 634668833 /nfs/dbraw/zinc/66/88/33/634668833.db2.gz ZQVMWQBAXOWPSL-CMPLNLGQSA-N 2 2 265.317 0.605 20 5 CCBDLP COc1cc(NC(=[NH2+])N2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC001157915136 801518759 /nfs/dbraw/zinc/51/87/59/801518759.db2.gz QZSSHNVRMCRUSU-UHFFFAOYSA-N 2 2 294.315 0.592 20 5 CCBDLP [NH3+]C[C@]1(Nc2ncc([N+](=O)[O-])cc2F)C[NH+]2CCC1CC2 ZINC001160511506 801955052 /nfs/dbraw/zinc/95/50/52/801955052.db2.gz NUCQGTIWCKGQTF-ZDUSSCGKSA-N 2 2 295.318 0.964 20 5 CCBDLP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001246143471 807166457 /nfs/dbraw/zinc/16/64/57/807166457.db2.gz KMNCLWQSNFPVNL-RDBSUJKOSA-N 3 2 296.415 0.896 20 5 CCBDLP C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000036301246 348165848 /nfs/dbraw/zinc/16/58/48/348165848.db2.gz MBFIWXJCVPIBND-UHFFFAOYSA-N 2 2 292.339 0.878 20 5 CCBDLP C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000036301246 348165849 /nfs/dbraw/zinc/16/58/49/348165849.db2.gz MBFIWXJCVPIBND-UHFFFAOYSA-N 2 2 292.339 0.878 20 5 CCBDLP O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428039665 235393225 /nfs/dbraw/zinc/39/32/25/235393225.db2.gz SNZDFSOJRXCYPD-PWSUYJOCSA-N 2 2 265.317 0.475 20 5 CCBDLP O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428039665 235393227 /nfs/dbraw/zinc/39/32/27/235393227.db2.gz SNZDFSOJRXCYPD-PWSUYJOCSA-N 2 2 265.317 0.475 20 5 CCBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000595901191 360697379 /nfs/dbraw/zinc/69/73/79/360697379.db2.gz DEVWPWXEEMHTBV-UHFFFAOYSA-N 2 2 295.339 0.808 20 5 CCBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000516066114 249149338 /nfs/dbraw/zinc/14/93/38/249149338.db2.gz RPSPEDIPABAUQA-SECBINFHSA-N 2 2 253.306 0.499 20 5 CCBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000516066114 249149340 /nfs/dbraw/zinc/14/93/40/249149340.db2.gz RPSPEDIPABAUQA-SECBINFHSA-N 2 2 253.306 0.499 20 5 CCBDLP CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CC[NH2+]C1 ZINC000430936935 389836841 /nfs/dbraw/zinc/83/68/41/389836841.db2.gz XZBMWDKHJLUMEC-NSHDSACASA-N 2 2 267.333 0.865 20 5 CCBDLP CCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CC[NH2+]C1 ZINC000430936935 389836843 /nfs/dbraw/zinc/83/68/43/389836843.db2.gz XZBMWDKHJLUMEC-NSHDSACASA-N 2 2 267.333 0.865 20 5 CCBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420358874 389991213 /nfs/dbraw/zinc/99/12/13/389991213.db2.gz VBZPVHDTWZHTBX-ZJUUUORDSA-N 2 2 253.302 0.907 20 5 CCBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420358874 389991214 /nfs/dbraw/zinc/99/12/14/389991214.db2.gz VBZPVHDTWZHTBX-ZJUUUORDSA-N 2 2 253.302 0.907 20 5 CCBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342095741 130256304 /nfs/dbraw/zinc/25/63/04/130256304.db2.gz ZAMNBVRBFJMVJJ-DCAQKATOSA-N 2 2 279.344 0.888 20 5 CCBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342095741 130256306 /nfs/dbraw/zinc/25/63/06/130256306.db2.gz ZAMNBVRBFJMVJJ-DCAQKATOSA-N 2 2 279.344 0.888 20 5 CCBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357073224 527491011 /nfs/dbraw/zinc/49/10/11/527491011.db2.gz DWCZMUCIZWRAQP-ZJUUUORDSA-N 2 2 265.317 0.370 20 5 CCBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357073224 527491017 /nfs/dbraw/zinc/49/10/17/527491017.db2.gz DWCZMUCIZWRAQP-ZJUUUORDSA-N 2 2 265.317 0.370 20 5 CCBDLP CC(C)[NH+]1CCN(C2CC[NH+](CC[N+](=O)[O-])CC2)CC1 ZINC000930130938 614358406 /nfs/dbraw/zinc/35/84/06/614358406.db2.gz ZTWHFIUHEIAILK-UHFFFAOYSA-N 2 2 284.404 0.754 20 5 CCBDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815616485 641116502 /nfs/dbraw/zinc/11/65/02/641116502.db2.gz PONBMAWXZUYBBY-YGRLFVJLSA-N 2 2 294.355 0.894 20 5 CCBDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815616485 641116506 /nfs/dbraw/zinc/11/65/06/641116506.db2.gz PONBMAWXZUYBBY-YGRLFVJLSA-N 2 2 294.355 0.894 20 5 CCBDLP CCN(c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)C1C[NH+](C)C1 ZINC001157461737 801390722 /nfs/dbraw/zinc/39/07/22/801390722.db2.gz QWIHNNPYCGDIKF-UHFFFAOYSA-N 2 2 292.343 0.212 20 5 CCBDLP CC(C)[NH+]1CC(Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])C1 ZINC001168315432 815092134 /nfs/dbraw/zinc/09/21/34/815092134.db2.gz OLCWCDQFHGETTP-UHFFFAOYSA-N 2 2 292.343 0.576 20 5 CCBDLP C[NH+]1CCC(CO)([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169009356 836096645 /nfs/dbraw/zinc/09/66/45/836096645.db2.gz VUNMTUQTBDDUBI-NWDGAFQWSA-N 2 2 271.361 0.478 20 5 CCBDLP Cn1cc(C[NH+]2CCC(C)([NH3+])CC2)c([N+](=O)[O-])n1 ZINC000603429051 363128600 /nfs/dbraw/zinc/12/86/00/363128600.db2.gz LKOIYZHSTWHZTG-UHFFFAOYSA-N 2 2 253.306 0.642 20 5 CCBDLP Cn1cc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)c([N+](=O)[O-])n1 ZINC000603431769 363131776 /nfs/dbraw/zinc/13/17/76/363131776.db2.gz YWVJOYPMHOXGDB-SNVBAGLBSA-N 2 2 267.333 0.806 20 5 CCBDLP O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)n1 ZINC000428032312 235391019 /nfs/dbraw/zinc/39/10/19/235391019.db2.gz JOUUQEWBSLUWOQ-WDEREUQCSA-N 2 2 265.317 0.475 20 5 CCBDLP O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)n1 ZINC000428032312 235391021 /nfs/dbraw/zinc/39/10/21/235391021.db2.gz JOUUQEWBSLUWOQ-WDEREUQCSA-N 2 2 265.317 0.475 20 5 CCBDLP C[C@H](C[NH3+])[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591278446 359574508 /nfs/dbraw/zinc/57/45/08/359574508.db2.gz OGVAHOFVFFADGW-MRVPVSSYSA-N 2 2 267.285 0.803 20 5 CCBDLP CCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CC[NH2+]C1 ZINC000923285580 614584831 /nfs/dbraw/zinc/58/48/31/614584831.db2.gz HZKPKJDBKYBVKX-DGCLKSJQSA-N 2 2 297.359 0.226 20 5 CCBDLP CCC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CC[NH2+]C1 ZINC000923285580 614584834 /nfs/dbraw/zinc/58/48/34/614584834.db2.gz HZKPKJDBKYBVKX-DGCLKSJQSA-N 2 2 297.359 0.226 20 5 CCBDLP Cc1cc(C)c([N+](=O)[O-])c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158206626 801594595 /nfs/dbraw/zinc/59/45/95/801594595.db2.gz WLSJZXBWBGVVCC-SNVBAGLBSA-N 2 2 291.311 0.654 20 5 CCBDLP Cn1cc[nH+]c1CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169009802 836096529 /nfs/dbraw/zinc/09/65/29/836096529.db2.gz YGJBLRDKTYVLFH-GHMZBOCLSA-N 2 2 252.318 0.998 20 5 CCBDLP C[N@@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000135244359 350389146 /nfs/dbraw/zinc/38/91/46/350389146.db2.gz ZCMQKLBDMCDJIN-ZDUSSCGKSA-N 2 2 292.339 0.239 20 5 CCBDLP C[N@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000135244359 350389148 /nfs/dbraw/zinc/38/91/48/350389148.db2.gz ZCMQKLBDMCDJIN-ZDUSSCGKSA-N 2 2 292.339 0.239 20 5 CCBDLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000603429689 363128366 /nfs/dbraw/zinc/12/83/66/363128366.db2.gz OYMHTWDADVJIEP-WPRPVWTQSA-N 2 2 253.306 0.640 20 5 CCBDLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000603429689 363128372 /nfs/dbraw/zinc/12/83/72/363128372.db2.gz OYMHTWDADVJIEP-WPRPVWTQSA-N 2 2 253.306 0.640 20 5 CCBDLP Cn1cc[nH+]c1[C@@H](NC1C[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000591577054 359601132 /nfs/dbraw/zinc/60/11/32/359601132.db2.gz SMSSSIXFINWNOZ-ZDUSSCGKSA-N 2 2 287.323 0.979 20 5 CCBDLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000593901285 360199909 /nfs/dbraw/zinc/19/99/09/360199909.db2.gz DWOAAPCFMYUSOH-LBPRGKRZSA-N 2 2 292.339 0.763 20 5 CCBDLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788595410 581117837 /nfs/dbraw/zinc/11/78/37/581117837.db2.gz SXHGBNBMHLXHNN-GXSJLCMTSA-N 2 2 282.344 0.750 20 5 CCBDLP C[NH+]1CCN(C(=[NH2+])Nc2ncc([N+](=O)[O-])cc2F)CC1 ZINC001157915178 801520375 /nfs/dbraw/zinc/52/03/75/801520375.db2.gz SZVIUJCLJAFCEO-UHFFFAOYSA-N 2 2 282.279 0.723 20 5 CCBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc([N+](=O)[O-])ccn1 ZINC001158202996 801591364 /nfs/dbraw/zinc/59/13/64/801591364.db2.gz CHQKTGGUGURAPD-MRVPVSSYSA-N 2 2 263.257 0.038 20 5 CCBDLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000358169232 529809925 /nfs/dbraw/zinc/80/99/25/529809925.db2.gz QVLQSPRXKVYGAA-ZDUSSCGKSA-N 2 2 283.303 0.890 20 5 CCBDLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000358169232 529809927 /nfs/dbraw/zinc/80/99/27/529809927.db2.gz QVLQSPRXKVYGAA-ZDUSSCGKSA-N 2 2 283.303 0.890 20 5 CCBDLP C[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000226610727 352030296 /nfs/dbraw/zinc/03/02/96/352030296.db2.gz PBKZFZKGADYRNX-ZDUSSCGKSA-N 2 2 264.329 0.670 20 5 CCBDLP C[N@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000226610727 352030298 /nfs/dbraw/zinc/03/02/98/352030298.db2.gz PBKZFZKGADYRNX-ZDUSSCGKSA-N 2 2 264.329 0.670 20 5 CCBDLP C[C@@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000603427668 363126889 /nfs/dbraw/zinc/12/68/89/363126889.db2.gz CUTMZEKLGCECMS-RKDXNWHRSA-N 2 2 253.306 0.355 20 5 CCBDLP C[C@@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000603427668 363126894 /nfs/dbraw/zinc/12/68/94/363126894.db2.gz CUTMZEKLGCECMS-RKDXNWHRSA-N 2 2 253.306 0.355 20 5 CCBDLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000593902619 360201020 /nfs/dbraw/zinc/20/10/20/360201020.db2.gz CPYKLFYVRPCHLU-LLVKDONJSA-N 2 2 266.301 0.812 20 5 CCBDLP Cn1cc[nH+]c1[C@@H](NC1C[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000567102527 291458260 /nfs/dbraw/zinc/45/82/60/291458260.db2.gz MJPCFTNZMRGRRK-ZDUSSCGKSA-N 2 2 287.323 0.979 20 5 CCBDLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000430582669 389809653 /nfs/dbraw/zinc/80/96/53/389809653.db2.gz WRJOVWHGIUALNK-NSHDSACASA-N 2 2 255.322 0.791 20 5 CCBDLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000430582668 389809859 /nfs/dbraw/zinc/80/98/59/389809859.db2.gz WRJOVWHGIUALNK-LLVKDONJSA-N 2 2 255.322 0.791 20 5 CCBDLP C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000442664295 389854404 /nfs/dbraw/zinc/85/44/04/389854404.db2.gz WDRZWOIWVFBPSB-NXEZZACHSA-N 2 2 265.317 0.823 20 5 CCBDLP C[C@@H]([NH3+])C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000442664295 389854406 /nfs/dbraw/zinc/85/44/06/389854406.db2.gz WDRZWOIWVFBPSB-NXEZZACHSA-N 2 2 265.317 0.823 20 5 CCBDLP [NH3+]C[C@H]([NH3+])Cc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001249129185 807544403 /nfs/dbraw/zinc/54/44/03/807544403.db2.gz SNROWKXFBATDRG-ZCFIWIBFSA-N 2 2 282.235 0.007 20 5 CCBDLP C[N@@H+]1CCc2c(-n3nnnc3C[NH3+])ccc([N+](=O)[O-])c2C1 ZINC001168922938 836057338 /nfs/dbraw/zinc/05/73/38/836057338.db2.gz CVKHCCGWAXQLAW-UHFFFAOYSA-N 2 2 289.299 0.017 20 5 CCBDLP C[N@H+]1CCc2c(-n3nnnc3C[NH3+])ccc([N+](=O)[O-])c2C1 ZINC001168922938 836057349 /nfs/dbraw/zinc/05/73/49/836057349.db2.gz CVKHCCGWAXQLAW-UHFFFAOYSA-N 2 2 289.299 0.017 20 5 CCBDLP Cc1ccc([N+](=O)[O-])c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169073781 836127487 /nfs/dbraw/zinc/12/74/87/836127487.db2.gz LEGKWJNMSPKCFD-SECBINFHSA-N 2 2 277.284 0.346 20 5 CCBDLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000603429686 363128452 /nfs/dbraw/zinc/12/84/52/363128452.db2.gz OYMHTWDADVJIEP-PSASIEDQSA-N 2 2 253.306 0.640 20 5 CCBDLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000603429686 363128459 /nfs/dbraw/zinc/12/84/59/363128459.db2.gz OYMHTWDADVJIEP-PSASIEDQSA-N 2 2 253.306 0.640 20 5 CCBDLP Cn1cc(C[N@H+](C)CC(C)(C)C[NH3+])c([N+](=O)[O-])n1 ZINC000603431461 363129413 /nfs/dbraw/zinc/12/94/13/363129413.db2.gz XSGQTKYDFGCWAN-UHFFFAOYSA-N 2 2 255.322 0.745 20 5 CCBDLP Cn1cc(C[N@@H+](C)CC(C)(C)C[NH3+])c([N+](=O)[O-])n1 ZINC000603431461 363129422 /nfs/dbraw/zinc/12/94/22/363129422.db2.gz XSGQTKYDFGCWAN-UHFFFAOYSA-N 2 2 255.322 0.745 20 5 CCBDLP O=[N+]([O-])c1ccc(C[NH2+]C2(CO)CC[NH2+]CC2)c(F)c1 ZINC000595897308 360696343 /nfs/dbraw/zinc/69/63/43/360696343.db2.gz TVZVOBYYEVJFQX-UHFFFAOYSA-N 2 2 283.303 0.938 20 5 CCBDLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000565234234 291364484 /nfs/dbraw/zinc/36/44/84/291364484.db2.gz SHLZIZMBKRWJTO-QWHCGFSZSA-N 2 2 290.323 0.339 20 5 CCBDLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000111841591 389115037 /nfs/dbraw/zinc/11/50/37/389115037.db2.gz XPNRQSXXRYHKQG-CQSZACIVSA-N 2 2 278.356 0.930 20 5 CCBDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000111841591 389115039 /nfs/dbraw/zinc/11/50/39/389115039.db2.gz XPNRQSXXRYHKQG-CQSZACIVSA-N 2 2 278.356 0.930 20 5 CCBDLP COc1ccc(OCC[N@H+](C)CC[NH3+])c([N+](=O)[O-])c1 ZINC000420367923 389993308 /nfs/dbraw/zinc/99/33/08/389993308.db2.gz AMCAULOFJYDROP-UHFFFAOYSA-N 2 2 269.301 0.873 20 5 CCBDLP COc1ccc(OCC[N@@H+](C)CC[NH3+])c([N+](=O)[O-])c1 ZINC000420367923 389993311 /nfs/dbraw/zinc/99/33/11/389993311.db2.gz AMCAULOFJYDROP-UHFFFAOYSA-N 2 2 269.301 0.873 20 5 CCBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001158202992 801591942 /nfs/dbraw/zinc/59/19/42/801591942.db2.gz CFBFMUQRTBRPSK-SSDOTTSWSA-N 2 2 297.702 0.691 20 5 CCBDLP Cc1nc(NCC[NH+]2CCC([NH3+])CC2)ncc1[N+](=O)[O-] ZINC001161872863 802237798 /nfs/dbraw/zinc/23/77/98/802237798.db2.gz OHZDTWJOERMPBR-UHFFFAOYSA-N 2 2 280.332 0.528 20 5 CCBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[NH2+]C[C@H]1CO ZINC001246300797 807213660 /nfs/dbraw/zinc/21/36/60/807213660.db2.gz UAZKAIPGVPWVPO-KGYLQXTDSA-N 2 2 279.340 0.696 20 5 CCBDLP COc1cc([N+](=O)[O-])cnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169067008 836122955 /nfs/dbraw/zinc/12/29/55/836122955.db2.gz KOQIHEHKJIIAAC-MRVPVSSYSA-N 2 2 293.283 0.046 20 5 CCBDLP COc1cccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1[N+](=O)[O-] ZINC001169073985 836126874 /nfs/dbraw/zinc/12/68/74/836126874.db2.gz OYPHKAQFFBWAQB-SECBINFHSA-N 2 2 292.295 0.651 20 5 CCBDLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000600747539 362054297 /nfs/dbraw/zinc/05/42/97/362054297.db2.gz YGMQMWYOCBVJBV-BETUJISGSA-N 2 2 279.344 0.723 20 5 CCBDLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000600747539 362054303 /nfs/dbraw/zinc/05/43/03/362054303.db2.gz YGMQMWYOCBVJBV-BETUJISGSA-N 2 2 279.344 0.723 20 5 CCBDLP O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)n1 ZINC000601333166 362229372 /nfs/dbraw/zinc/22/93/72/362229372.db2.gz BQGYXENBIOPGLF-RYUDHWBXSA-N 2 2 279.344 0.865 20 5 CCBDLP O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)n1 ZINC000601333166 362229377 /nfs/dbraw/zinc/22/93/77/362229377.db2.gz BQGYXENBIOPGLF-RYUDHWBXSA-N 2 2 279.344 0.865 20 5 CCBDLP C[NH+](C)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000177024119 351191471 /nfs/dbraw/zinc/19/14/71/351191471.db2.gz PAJJHQOHPWSCEM-UHFFFAOYSA-N 2 2 267.333 0.817 20 5 CCBDLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000603428268 363127625 /nfs/dbraw/zinc/12/76/25/363127625.db2.gz GHVHKGUJCLHVNI-JTQLQIEISA-N 2 2 267.333 0.760 20 5 CCBDLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000603428268 363127630 /nfs/dbraw/zinc/12/76/30/363127630.db2.gz GHVHKGUJCLHVNI-JTQLQIEISA-N 2 2 267.333 0.760 20 5 CCBDLP Cn1cc(C[NH2+][C@@](C)(C[NH3+])C2CC2)c([N+](=O)[O-])n1 ZINC000603429673 363128869 /nfs/dbraw/zinc/12/88/69/363128869.db2.gz OPNJNEQXRGYBDF-NSHDSACASA-N 2 2 253.306 0.545 20 5 CCBDLP Cn1cc(C[NH2+][C@H](C[NH3+])C(C)(C)C)c([N+](=O)[O-])n1 ZINC000603429706 363128892 /nfs/dbraw/zinc/12/88/92/363128892.db2.gz PMLANKXLZXIMAQ-SECBINFHSA-N 2 2 255.322 0.791 20 5 CCBDLP Cn1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])n1 ZINC000603431451 363129709 /nfs/dbraw/zinc/12/97/09/363129709.db2.gz XPJOQXSPLIAYQV-ZDUSSCGKSA-N 2 2 279.344 0.904 20 5 CCBDLP Cn1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])n1 ZINC000603431451 363129716 /nfs/dbraw/zinc/12/97/16/363129716.db2.gz XPJOQXSPLIAYQV-ZDUSSCGKSA-N 2 2 279.344 0.904 20 5 CCBDLP O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428039661 235393119 /nfs/dbraw/zinc/39/31/19/235393119.db2.gz SNZDFSOJRXCYPD-CMPLNLGQSA-N 2 2 265.317 0.475 20 5 CCBDLP O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428039661 235393122 /nfs/dbraw/zinc/39/31/22/235393122.db2.gz SNZDFSOJRXCYPD-CMPLNLGQSA-N 2 2 265.317 0.475 20 5 CCBDLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000569823776 358796560 /nfs/dbraw/zinc/79/65/60/358796560.db2.gz AIOAXQJDLJHVFD-QWHCGFSZSA-N 2 2 290.323 0.339 20 5 CCBDLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000569823776 358796563 /nfs/dbraw/zinc/79/65/63/358796563.db2.gz AIOAXQJDLJHVFD-QWHCGFSZSA-N 2 2 290.323 0.339 20 5 CCBDLP O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)OCCO2 ZINC000591281590 359574596 /nfs/dbraw/zinc/57/45/96/359574596.db2.gz CCNFOUOXNMYRKC-MSRIBSCDSA-N 2 2 291.307 0.673 20 5 CCBDLP O=[N+]([O-])c1cc(C[NH2+]C2(CO)CC[NH2+]CC2)cs1 ZINC000595902802 360698794 /nfs/dbraw/zinc/69/87/94/360698794.db2.gz REPKBHVYMDBDQS-UHFFFAOYSA-N 2 2 271.342 0.860 20 5 CCBDLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000598683363 361481818 /nfs/dbraw/zinc/48/18/18/361481818.db2.gz RXHFQXUZEGKRHI-ZYHUDNBSSA-N 2 2 265.317 0.605 20 5 CCBDLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000598683363 361481822 /nfs/dbraw/zinc/48/18/22/361481822.db2.gz RXHFQXUZEGKRHI-ZYHUDNBSSA-N 2 2 265.317 0.605 20 5 CCBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@H](O)C[NH3+] ZINC000415069571 389656033 /nfs/dbraw/zinc/65/60/33/389656033.db2.gz PCANRRWFOOHZDW-GFCCVEGCSA-N 2 2 253.302 0.655 20 5 CCBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000415069571 389656037 /nfs/dbraw/zinc/65/60/37/389656037.db2.gz PCANRRWFOOHZDW-GFCCVEGCSA-N 2 2 253.302 0.655 20 5 CCBDLP O=[N+]([O-])c1cc(C[NH2+]C[C@H]2C[NH2+]CCO2)cs1 ZINC000415096461 389658626 /nfs/dbraw/zinc/65/86/26/389658626.db2.gz QAILUMFEWWYHPZ-SECBINFHSA-N 2 2 257.315 0.734 20 5 CCBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2C[NH2+]CCO2)cc1 ZINC000415099420 389659438 /nfs/dbraw/zinc/65/94/38/389659438.db2.gz YJKCWNZWWUIINU-GFCCVEGCSA-N 2 2 251.286 0.673 20 5 CCBDLP C[C@@H]([NH3+])C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000442664302 389854578 /nfs/dbraw/zinc/85/45/78/389854578.db2.gz WDRZWOIWVFBPSB-ZJUUUORDSA-N 2 2 265.317 0.823 20 5 CCBDLP C[C@@H]([NH3+])C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000442664302 389854582 /nfs/dbraw/zinc/85/45/82/389854582.db2.gz WDRZWOIWVFBPSB-ZJUUUORDSA-N 2 2 265.317 0.823 20 5 CCBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357073207 527490133 /nfs/dbraw/zinc/49/01/33/527490133.db2.gz DWCZMUCIZWRAQP-NXEZZACHSA-N 2 2 265.317 0.370 20 5 CCBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357073207 527490136 /nfs/dbraw/zinc/49/01/36/527490136.db2.gz DWCZMUCIZWRAQP-NXEZZACHSA-N 2 2 265.317 0.370 20 5 CCBDLP C[NH+]1CCN(Cc2ccc(C[NH2+]CC[N+](=O)[O-])cc2)CC1 ZINC000905049827 616244999 /nfs/dbraw/zinc/24/49/99/616244999.db2.gz RLHDAQBTOIRZRI-UHFFFAOYSA-N 2 2 292.383 0.800 20 5 CCBDLP CN1CC[NH+](Cc2ccc(C[NH2+]CC[N+](=O)[O-])cc2)CC1 ZINC000905049827 616245000 /nfs/dbraw/zinc/24/50/00/616245000.db2.gz RLHDAQBTOIRZRI-UHFFFAOYSA-N 2 2 292.383 0.800 20 5 CCBDLP Cc1c(C)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ncc1[N+](=O)[O-] ZINC001158206452 801594153 /nfs/dbraw/zinc/59/41/53/801594153.db2.gz PIMNDBPJYJZJCG-SNVBAGLBSA-N 2 2 291.311 0.654 20 5 CCBDLP COc1cc(NCC[NH+]2CCC([NH3+])CC2)ncc1[N+](=O)[O-] ZINC001161867767 802234131 /nfs/dbraw/zinc/23/41/31/802234131.db2.gz NVHOOMRDSJGTNL-UHFFFAOYSA-N 2 2 295.343 0.833 20 5 CCBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nc(Cl)ccc1[N+](=O)[O-] ZINC001169075475 836128144 /nfs/dbraw/zinc/12/81/44/836128144.db2.gz ZELQEDQPKAYHFG-SSDOTTSWSA-N 2 2 297.702 0.691 20 5 CCBDLP Cc1ccnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1[N+](=O)[O-] ZINC001158204891 837976933 /nfs/dbraw/zinc/97/69/33/837976933.db2.gz UJTPGQJLIOMNDB-SECBINFHSA-N 2 2 277.284 0.346 20 5 CCBDLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000050015835 348463397 /nfs/dbraw/zinc/46/33/97/348463397.db2.gz MWHBMUQVEAZMNN-UHFFFAOYSA-N 2 2 292.339 0.458 20 5 CCBDLP C[N@@H+]1CCN(Cc2csc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000122451575 350065763 /nfs/dbraw/zinc/06/57/63/350065763.db2.gz VXXRMRDXPNKBBQ-SNVBAGLBSA-N 2 2 270.358 0.731 20 5 CCBDLP C[N@H+]1CCN(Cc2csc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000122451575 350065766 /nfs/dbraw/zinc/06/57/66/350065766.db2.gz VXXRMRDXPNKBBQ-SNVBAGLBSA-N 2 2 270.358 0.731 20 5 CCBDLP NC(=O)c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000107855780 186195714 /nfs/dbraw/zinc/19/57/14/186195714.db2.gz RVKGXURQXDCFRY-TXEJJXNPSA-N 2 2 290.323 0.345 20 5 CCBDLP NC(=O)c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000107855780 186195716 /nfs/dbraw/zinc/19/57/16/186195716.db2.gz RVKGXURQXDCFRY-TXEJJXNPSA-N 2 2 290.323 0.345 20 5 CCBDLP Cn1cc(C[NH2+][C@](C)(C[NH3+])C2CC2)c([N+](=O)[O-])n1 ZINC000603429672 363128305 /nfs/dbraw/zinc/12/83/05/363128305.db2.gz OPNJNEQXRGYBDF-LLVKDONJSA-N 2 2 253.306 0.545 20 5 CCBDLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000518564127 249255374 /nfs/dbraw/zinc/25/53/74/249255374.db2.gz IAMXVXYTMZXKPZ-VXGBXAGGSA-N 2 2 290.323 0.339 20 5 CCBDLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000518564127 249255376 /nfs/dbraw/zinc/25/53/76/249255376.db2.gz IAMXVXYTMZXKPZ-VXGBXAGGSA-N 2 2 290.323 0.339 20 5 CCBDLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000518564126 249256355 /nfs/dbraw/zinc/25/63/55/249256355.db2.gz IAMXVXYTMZXKPZ-RYUDHWBXSA-N 2 2 290.323 0.339 20 5 CCBDLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000518564126 249256357 /nfs/dbraw/zinc/25/63/57/249256357.db2.gz IAMXVXYTMZXKPZ-RYUDHWBXSA-N 2 2 290.323 0.339 20 5 CCBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351496003 389594579 /nfs/dbraw/zinc/59/45/79/389594579.db2.gz QTVNHWPJOVMOSH-GUBZILKMSA-N 2 2 265.317 0.497 20 5 CCBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351496003 389594581 /nfs/dbraw/zinc/59/45/81/389594581.db2.gz QTVNHWPJOVMOSH-GUBZILKMSA-N 2 2 265.317 0.497 20 5 CCBDLP CCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CC[NH2+]C1 ZINC000923285581 614584665 /nfs/dbraw/zinc/58/46/65/614584665.db2.gz HZKPKJDBKYBVKX-WCQYABFASA-N 2 2 297.359 0.226 20 5 CCBDLP CCC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CC[NH2+]C1 ZINC000923285581 614584668 /nfs/dbraw/zinc/58/46/68/614584668.db2.gz HZKPKJDBKYBVKX-WCQYABFASA-N 2 2 297.359 0.226 20 5 CCBDLP [NH3+]C1CC([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000906509244 635001666 /nfs/dbraw/zinc/00/16/66/635001666.db2.gz BZRKNZOPRDVJCT-UHFFFAOYSA-N 2 2 279.296 0.945 20 5 CCBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246559304 807287576 /nfs/dbraw/zinc/28/75/76/807287576.db2.gz OCNYMVLGEUZCTQ-MPKXVKKWSA-N 2 2 279.340 0.920 20 5 CCBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246559304 807287581 /nfs/dbraw/zinc/28/75/81/807287581.db2.gz OCNYMVLGEUZCTQ-MPKXVKKWSA-N 2 2 279.340 0.920 20 5 CCBDLP COc1ccc([N+](=O)[O-])c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169067716 836124334 /nfs/dbraw/zinc/12/43/34/836124334.db2.gz WKZSDTSGNGHGGN-MRVPVSSYSA-N 2 2 293.283 0.046 20 5 CCBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc(F)cc(F)c1[N+](=O)[O-] ZINC001169073448 836127222 /nfs/dbraw/zinc/12/72/22/836127222.db2.gz HSIKIJSUQQNPMD-MRVPVSSYSA-N 2 2 298.249 0.921 20 5 CCBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1COC[C@H]1[NH3+] ZINC001173219066 842017030 /nfs/dbraw/zinc/01/70/30/842017030.db2.gz WLPDNDXOJSSTJP-ZWKOPEQDSA-N 2 2 265.313 0.842 20 5 CCBDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC[N+](=O)[O-])[C@@H](C)C1 ZINC001336048304 920579325 /nfs/dbraw/zinc/57/93/25/920579325.db2.gz WOACTVMIEWJFDT-QWHCGFSZSA-N 2 2 273.377 0.990 20 5 CCBDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC[N+](=O)[O-])[C@@H](C)C1 ZINC001336048304 920579344 /nfs/dbraw/zinc/57/93/44/920579344.db2.gz WOACTVMIEWJFDT-QWHCGFSZSA-N 2 2 273.377 0.990 20 5 CCBDLP [NH3+][C@@H]1CCCCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000601324474 362220919 /nfs/dbraw/zinc/22/09/19/362220919.db2.gz NMXGPOWMABRYJO-LLVKDONJSA-N 2 2 267.333 0.995 20 5 CCBDLP [NH3+][C@@H]1CCCCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000601324474 362220928 /nfs/dbraw/zinc/22/09/28/362220928.db2.gz NMXGPOWMABRYJO-LLVKDONJSA-N 2 2 267.333 0.995 20 5 CCBDLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000358169230 529800912 /nfs/dbraw/zinc/80/09/12/529800912.db2.gz QVLQSPRXKVYGAA-CYBMUJFWSA-N 2 2 283.303 0.890 20 5 CCBDLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000358169230 529800913 /nfs/dbraw/zinc/80/09/13/529800913.db2.gz QVLQSPRXKVYGAA-CYBMUJFWSA-N 2 2 283.303 0.890 20 5 CCBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000603430866 363129730 /nfs/dbraw/zinc/12/97/30/363129730.db2.gz VRYVWUIOHCJPFP-BDAKNGLRSA-N 2 2 253.306 0.497 20 5 CCBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000603430866 363129737 /nfs/dbraw/zinc/12/97/37/363129737.db2.gz VRYVWUIOHCJPFP-BDAKNGLRSA-N 2 2 253.306 0.497 20 5 CCBDLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000593902264 360201391 /nfs/dbraw/zinc/20/13/91/360201391.db2.gz RPICHFOWTMZHEF-LLVKDONJSA-N 2 2 280.328 0.490 20 5 CCBDLP [NH3+][C@]12CCC[C@H]1C[N@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000598683360 361481769 /nfs/dbraw/zinc/48/17/69/361481769.db2.gz RXHFQXUZEGKRHI-JQWIXIFHSA-N 2 2 265.317 0.605 20 5 CCBDLP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000598683360 361481773 /nfs/dbraw/zinc/48/17/73/361481773.db2.gz RXHFQXUZEGKRHI-JQWIXIFHSA-N 2 2 265.317 0.605 20 5 CCBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC[NH3+] ZINC000420389490 389995866 /nfs/dbraw/zinc/99/58/66/389995866.db2.gz YKWUBIJTNNNGAN-UHFFFAOYSA-N 2 2 296.327 0.823 20 5 CCBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC[NH3+] ZINC000420389490 389995867 /nfs/dbraw/zinc/99/58/67/389995867.db2.gz YKWUBIJTNNNGAN-UHFFFAOYSA-N 2 2 296.327 0.823 20 5 CCBDLP C[NH+](C)CCOC1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000738206668 582028954 /nfs/dbraw/zinc/02/89/54/582028954.db2.gz AXQMZXUMUWEBEM-UHFFFAOYSA-N 2 2 297.359 0.791 20 5 CCBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001158203938 801592380 /nfs/dbraw/zinc/59/23/80/801592380.db2.gz JTLROFNUQAPAFB-MRVPVSSYSA-N 2 2 297.702 0.691 20 5 CCBDLP C[N@@H+]1CCO[C@H](CNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)C1 ZINC001162687434 802393978 /nfs/dbraw/zinc/39/39/78/802393978.db2.gz BTKNOVLAKNHUTI-GFCCVEGCSA-N 2 2 292.339 0.941 20 5 CCBDLP C[N@H+]1CCO[C@H](CNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)C1 ZINC001162687434 802393983 /nfs/dbraw/zinc/39/39/83/802393983.db2.gz BTKNOVLAKNHUTI-GFCCVEGCSA-N 2 2 292.339 0.941 20 5 CCBDLP CC[C@@]([NH3+])(CO)Nc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001159744286 839566043 /nfs/dbraw/zinc/56/60/43/839566043.db2.gz PLFIVWRXLZKYBM-GFUIURDCSA-N 2 2 295.343 0.991 20 5 CCBDLP C[NH+](C)C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000131172873 350266421 /nfs/dbraw/zinc/26/64/21/350266421.db2.gz IQVUPAKHKVMXNX-UHFFFAOYSA-N 2 2 294.355 0.783 20 5 CCBDLP C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H](O)C[NH3+] ZINC000591283008 359574516 /nfs/dbraw/zinc/57/45/16/359574516.db2.gz GMGWBCPMQSSBCQ-SNVBAGLBSA-N 2 2 297.311 0.117 20 5 CCBDLP C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H](O)C[NH3+] ZINC000591283008 359574518 /nfs/dbraw/zinc/57/45/18/359574518.db2.gz GMGWBCPMQSSBCQ-SNVBAGLBSA-N 2 2 297.311 0.117 20 5 CCBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000516066115 249149232 /nfs/dbraw/zinc/14/92/32/249149232.db2.gz RPSPEDIPABAUQA-VIFPVBQESA-N 2 2 253.306 0.499 20 5 CCBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000516066115 249149233 /nfs/dbraw/zinc/14/92/33/249149233.db2.gz RPSPEDIPABAUQA-VIFPVBQESA-N 2 2 253.306 0.499 20 5 CCBDLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000430583543 389810110 /nfs/dbraw/zinc/81/01/10/389810110.db2.gz MXMAMIIBNLWZTC-NXEZZACHSA-N 2 2 267.333 0.888 20 5 CCBDLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000430583543 389810113 /nfs/dbraw/zinc/81/01/13/389810113.db2.gz MXMAMIIBNLWZTC-NXEZZACHSA-N 2 2 267.333 0.888 20 5 CCBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC[NH3+] ZINC000420367872 389993090 /nfs/dbraw/zinc/99/30/90/389993090.db2.gz AFSTVYFYADFPOK-UHFFFAOYSA-N 2 2 296.327 0.823 20 5 CCBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC[NH3+] ZINC000420367872 389993092 /nfs/dbraw/zinc/99/30/92/389993092.db2.gz AFSTVYFYADFPOK-UHFFFAOYSA-N 2 2 296.327 0.823 20 5 CCBDLP C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923304464 616170952 /nfs/dbraw/zinc/17/09/52/616170952.db2.gz XSUAGUNPIALPJG-DRZSPHRISA-N 2 2 265.313 0.877 20 5 CCBDLP C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923304464 616170953 /nfs/dbraw/zinc/17/09/53/616170953.db2.gz XSUAGUNPIALPJG-DRZSPHRISA-N 2 2 265.313 0.877 20 5 CCBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[NH2+]C[C@@H]1CO ZINC001246300799 807213689 /nfs/dbraw/zinc/21/36/89/807213689.db2.gz UAZKAIPGVPWVPO-RTXFEEFZSA-N 2 2 279.340 0.696 20 5 CCBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncnc(Cl)c1[N+](=O)[O-] ZINC001169066453 836122387 /nfs/dbraw/zinc/12/23/87/836122387.db2.gz CQLPOHMEVOYINB-ZCFIWIBFSA-N 2 2 298.690 0.086 20 5 CCBDLP COc1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ncc1[N+](=O)[O-] ZINC001158204895 837977517 /nfs/dbraw/zinc/97/75/17/837977517.db2.gz UNDQBIAPBLBXSI-MRVPVSSYSA-N 2 2 293.283 0.046 20 5 CCBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nc(Cl)ncc1[N+](=O)[O-] ZINC001158204364 837980761 /nfs/dbraw/zinc/98/07/61/837980761.db2.gz YQUVSDZNSWPCLH-ZCFIWIBFSA-N 2 2 298.690 0.086 20 5 CCBDLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001350909393 925310412 /nfs/dbraw/zinc/31/04/12/925310412.db2.gz IQYUWVLJFPNZHL-UBHSHLNASA-N 2 2 277.324 0.804 20 5 CCBDLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001350909393 925310422 /nfs/dbraw/zinc/31/04/22/925310422.db2.gz IQYUWVLJFPNZHL-UBHSHLNASA-N 2 2 277.324 0.804 20 5 CCBDLP [NH3+][C@H]1CCCCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000601324475 362221252 /nfs/dbraw/zinc/22/12/52/362221252.db2.gz NMXGPOWMABRYJO-NSHDSACASA-N 2 2 267.333 0.995 20 5 CCBDLP [NH3+][C@H]1CCCCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000601324475 362221257 /nfs/dbraw/zinc/22/12/57/362221257.db2.gz NMXGPOWMABRYJO-NSHDSACASA-N 2 2 267.333 0.995 20 5 CCBDLP [NH3+]CCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000031961597 348129434 /nfs/dbraw/zinc/12/94/34/348129434.db2.gz VTQKQCJNRHVLKZ-UHFFFAOYSA-N 2 2 265.317 0.461 20 5 CCBDLP C[N@H+](CCC[NH3+])Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000123278276 350073121 /nfs/dbraw/zinc/07/31/21/350073121.db2.gz PZQPHSRZFKGMKI-UHFFFAOYSA-N 2 2 266.301 0.474 20 5 CCBDLP C[N@@H+](CCC[NH3+])Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000123278276 350073124 /nfs/dbraw/zinc/07/31/24/350073124.db2.gz PZQPHSRZFKGMKI-UHFFFAOYSA-N 2 2 266.301 0.474 20 5 CCBDLP C[N@@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000124351315 350096958 /nfs/dbraw/zinc/09/69/58/350096958.db2.gz AEHDUZHDRKTFRR-GFCCVEGCSA-N 2 2 293.327 0.701 20 5 CCBDLP C[N@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000124351315 350096960 /nfs/dbraw/zinc/09/69/60/350096960.db2.gz AEHDUZHDRKTFRR-GFCCVEGCSA-N 2 2 293.327 0.701 20 5 CCBDLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000603431304 363130190 /nfs/dbraw/zinc/13/01/90/363130190.db2.gz VRYVWUIOHCJPFP-RKDXNWHRSA-N 2 2 253.306 0.497 20 5 CCBDLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000603431304 363130197 /nfs/dbraw/zinc/13/01/97/363130197.db2.gz VRYVWUIOHCJPFP-RKDXNWHRSA-N 2 2 253.306 0.497 20 5 CCBDLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000593902215 360201157 /nfs/dbraw/zinc/20/11/57/360201157.db2.gz PUFIFELDHSXWBM-LBPRGKRZSA-N 2 2 280.328 0.490 20 5 CCBDLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000593908542 360205469 /nfs/dbraw/zinc/20/54/69/360205469.db2.gz ACBXLKGBQGUUEM-LBPRGKRZSA-N 2 2 294.355 0.533 20 5 CCBDLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000414965818 389649367 /nfs/dbraw/zinc/64/93/67/389649367.db2.gz NUBJGOWCLGHVNB-LBPRGKRZSA-N 2 2 264.329 0.588 20 5 CCBDLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000430583544 389809623 /nfs/dbraw/zinc/80/96/23/389809623.db2.gz MXMAMIIBNLWZTC-UWVGGRQHSA-N 2 2 267.333 0.888 20 5 CCBDLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000430583544 389809625 /nfs/dbraw/zinc/80/96/25/389809625.db2.gz MXMAMIIBNLWZTC-UWVGGRQHSA-N 2 2 267.333 0.888 20 5 CCBDLP [NH3+][C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430636787 389814682 /nfs/dbraw/zinc/81/46/82/389814682.db2.gz ZPTWNBBXZYQHTA-SNVBAGLBSA-N 2 2 278.312 0.956 20 5 CCBDLP [NH3+][C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430636787 389814685 /nfs/dbraw/zinc/81/46/85/389814685.db2.gz ZPTWNBBXZYQHTA-SNVBAGLBSA-N 2 2 278.312 0.956 20 5 CCBDLP C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251626515 131130983 /nfs/dbraw/zinc/13/09/83/131130983.db2.gz FFLJROQGTLYGPI-BXKDBHETSA-N 2 2 292.339 0.863 20 5 CCBDLP C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251626515 131130984 /nfs/dbraw/zinc/13/09/84/131130984.db2.gz FFLJROQGTLYGPI-BXKDBHETSA-N 2 2 292.339 0.863 20 5 CCBDLP C[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1C[NH3+] ZINC000430586666 278342902 /nfs/dbraw/zinc/34/29/02/278342902.db2.gz WVJOHDCIMXYWST-QWRGUYRKSA-N 2 2 267.333 0.851 20 5 CCBDLP C[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1C[NH3+] ZINC000430586666 278342903 /nfs/dbraw/zinc/34/29/03/278342903.db2.gz WVJOHDCIMXYWST-QWRGUYRKSA-N 2 2 267.333 0.851 20 5 CCBDLP CCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CC[NH2+]C1 ZINC000923285578 614585362 /nfs/dbraw/zinc/58/53/62/614585362.db2.gz HZKPKJDBKYBVKX-AAEUAGOBSA-N 2 2 297.359 0.226 20 5 CCBDLP CCC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CC[NH2+]C1 ZINC000923285578 614585364 /nfs/dbraw/zinc/58/53/64/614585364.db2.gz HZKPKJDBKYBVKX-AAEUAGOBSA-N 2 2 297.359 0.226 20 5 CCBDLP O=[N+]([O-])CC[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000905173882 634818805 /nfs/dbraw/zinc/81/88/05/634818805.db2.gz HYCQSCSMMPSQPO-NEPJUHHUSA-N 2 2 257.334 0.231 20 5 CCBDLP O=[N+]([O-])CC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000905176953 634820284 /nfs/dbraw/zinc/82/02/84/634820284.db2.gz UROFVWFUFYPDSC-OLZOCXBDSA-N 2 2 271.361 0.621 20 5 CCBDLP O=[N+]([O-])CC[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000905176955 634820490 /nfs/dbraw/zinc/82/04/90/634820490.db2.gz UROFVWFUFYPDSC-STQMWFEESA-N 2 2 271.361 0.621 20 5 CCBDLP CN(CC[N+](=O)[O-])CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000930113283 648824200 /nfs/dbraw/zinc/82/42/00/648824200.db2.gz KDOOLUCDMYHDLX-UHFFFAOYSA-N 2 2 258.366 0.221 20 5 CCBDLP Cc1nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ccc1[N+](=O)[O-] ZINC001158204308 801593320 /nfs/dbraw/zinc/59/33/20/801593320.db2.gz VYHJLJKVCMIDBS-SECBINFHSA-N 2 2 277.284 0.346 20 5 CCBDLP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001246143468 807166042 /nfs/dbraw/zinc/16/60/42/807166042.db2.gz KMNCLWQSNFPVNL-HZSPNIEDSA-N 3 2 296.415 0.896 20 5 CCBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[NH2+]C[C@H]1CO ZINC001246300800 807213365 /nfs/dbraw/zinc/21/33/65/807213365.db2.gz UAZKAIPGVPWVPO-WXHSDQCUSA-N 2 2 279.340 0.696 20 5 CCBDLP O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)n1 ZINC000601333165 362229967 /nfs/dbraw/zinc/22/99/67/362229967.db2.gz BQGYXENBIOPGLF-NWDGAFQWSA-N 2 2 279.344 0.865 20 5 CCBDLP O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)n1 ZINC000601333165 362229973 /nfs/dbraw/zinc/22/99/73/362229973.db2.gz BQGYXENBIOPGLF-NWDGAFQWSA-N 2 2 279.344 0.865 20 5 CCBDLP O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)n1 ZINC000428032311 235390889 /nfs/dbraw/zinc/39/08/89/235390889.db2.gz JOUUQEWBSLUWOQ-QWRGUYRKSA-N 2 2 265.317 0.475 20 5 CCBDLP O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)n1 ZINC000428032311 235390890 /nfs/dbraw/zinc/39/08/90/235390890.db2.gz JOUUQEWBSLUWOQ-QWRGUYRKSA-N 2 2 265.317 0.475 20 5 CCBDLP C[NH2+]C[C@](C)(O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000563271058 291211143 /nfs/dbraw/zinc/21/11/43/291211143.db2.gz JRKNWNPLWULXNB-ZDUSSCGKSA-N 2 2 267.329 0.997 20 5 CCBDLP C[NH2+]C[C@](C)(O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000563271058 291211145 /nfs/dbraw/zinc/21/11/45/291211145.db2.gz JRKNWNPLWULXNB-ZDUSSCGKSA-N 2 2 267.329 0.997 20 5 CCBDLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000414961021 389647651 /nfs/dbraw/zinc/64/76/51/389647651.db2.gz HTJNNLNJONKEGY-ZDUSSCGKSA-N 2 2 264.329 0.588 20 5 CCBDLP COc1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c([N+](=O)[O-])cc1OC ZINC000415032052 389653173 /nfs/dbraw/zinc/65/31/73/389653173.db2.gz HDXBLGKIEWSGFR-MSRIBSCDSA-N 2 2 293.323 0.919 20 5 CCBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000415069572 389655471 /nfs/dbraw/zinc/65/54/71/389655471.db2.gz PCANRRWFOOHZDW-LBPRGKRZSA-N 2 2 253.302 0.655 20 5 CCBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000415069572 389655473 /nfs/dbraw/zinc/65/54/73/389655473.db2.gz PCANRRWFOOHZDW-LBPRGKRZSA-N 2 2 253.302 0.655 20 5 CCBDLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000351859678 389700995 /nfs/dbraw/zinc/70/09/95/389700995.db2.gz GPLCKCGOEADHLZ-IUCAKERBSA-N 2 2 253.306 0.497 20 5 CCBDLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000351859678 389700997 /nfs/dbraw/zinc/70/09/97/389700997.db2.gz GPLCKCGOEADHLZ-IUCAKERBSA-N 2 2 253.306 0.497 20 5 CCBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420348970 389988019 /nfs/dbraw/zinc/98/80/19/389988019.db2.gz BJFFSICMEVVVRV-CABZTGNLSA-N 2 2 296.327 0.173 20 5 CCBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420348970 389988020 /nfs/dbraw/zinc/98/80/20/389988020.db2.gz BJFFSICMEVVVRV-CABZTGNLSA-N 2 2 296.327 0.173 20 5 CCBDLP Cc1[nH+]c2c(n1-c1cc(N)c([N+](=O)[O-])cn1)CC[NH2+]CC2 ZINC001165354009 802826163 /nfs/dbraw/zinc/82/61/63/802826163.db2.gz YETVVAOCCPDVTJ-UHFFFAOYSA-N 2 2 288.311 0.754 20 5 CCBDLP NC(=O)c1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000107855787 349741731 /nfs/dbraw/zinc/74/17/31/349741731.db2.gz RVKGXURQXDCFRY-RYUDHWBXSA-N 2 2 290.323 0.345 20 5 CCBDLP O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@@H]1CC[NH2+]C1)CC2 ZINC000592493522 359857964 /nfs/dbraw/zinc/85/79/64/359857964.db2.gz SEKDEMXWECUTBB-SNVBAGLBSA-N 2 2 262.313 0.957 20 5 CCBDLP O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@@H]1CC[NH2+]C1)CC2 ZINC000592493522 359857969 /nfs/dbraw/zinc/85/79/69/359857969.db2.gz SEKDEMXWECUTBB-SNVBAGLBSA-N 2 2 262.313 0.957 20 5 CCBDLP C[NH+](C)CCC[N@H+](C)CCNc1ncc([N+](=O)[O-])cn1 ZINC000596423842 360890256 /nfs/dbraw/zinc/89/02/56/360890256.db2.gz DDCSNPJKAMSKKI-UHFFFAOYSA-N 2 2 282.348 0.102 20 5 CCBDLP C[NH+](C)CCC[N@@H+](C)CCNc1ncc([N+](=O)[O-])cn1 ZINC000596423842 360890259 /nfs/dbraw/zinc/89/02/59/360890259.db2.gz DDCSNPJKAMSKKI-UHFFFAOYSA-N 2 2 282.348 0.102 20 5 CCBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)c(F)c1 ZINC000415097514 389658716 /nfs/dbraw/zinc/65/87/16/389658716.db2.gz SRWPELLCLWYWFT-NSHDSACASA-N 2 2 269.276 0.812 20 5 CCBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420348971 389987727 /nfs/dbraw/zinc/98/77/27/389987727.db2.gz BJFFSICMEVVVRV-JOYOIKCWSA-N 2 2 296.327 0.173 20 5 CCBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420348971 389987729 /nfs/dbraw/zinc/98/77/29/389987729.db2.gz BJFFSICMEVVVRV-JOYOIKCWSA-N 2 2 296.327 0.173 20 5 CCBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420362438 389991728 /nfs/dbraw/zinc/99/17/28/389991728.db2.gz YZKGOMFBTZSGGF-BXKDBHETSA-N 2 2 296.327 0.173 20 5 CCBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420362438 389991729 /nfs/dbraw/zinc/99/17/29/389991729.db2.gz YZKGOMFBTZSGGF-BXKDBHETSA-N 2 2 296.327 0.173 20 5 CCBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357073213 527490094 /nfs/dbraw/zinc/49/00/94/527490094.db2.gz DWCZMUCIZWRAQP-UWVGGRQHSA-N 2 2 265.317 0.370 20 5 CCBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357073213 527490099 /nfs/dbraw/zinc/49/00/99/527490099.db2.gz DWCZMUCIZWRAQP-UWVGGRQHSA-N 2 2 265.317 0.370 20 5 CCBDLP C[NH2+]CCOCC[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886841281 616965230 /nfs/dbraw/zinc/96/52/30/616965230.db2.gz GYCUIHIEALQAHB-UHFFFAOYSA-N 2 2 268.317 0.658 20 5 CCBDLP C[NH2+]CCOCC[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886841281 616965232 /nfs/dbraw/zinc/96/52/32/616965232.db2.gz GYCUIHIEALQAHB-UHFFFAOYSA-N 2 2 268.317 0.658 20 5 CCBDLP NC(=O)c1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000050248816 624804319 /nfs/dbraw/zinc/80/43/19/624804319.db2.gz ATRPZDNSYJDPSH-SECBINFHSA-N 2 2 278.312 0.474 20 5 CCBDLP NC(=O)c1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000050248816 624804321 /nfs/dbraw/zinc/80/43/21/624804321.db2.gz ATRPZDNSYJDPSH-SECBINFHSA-N 2 2 278.312 0.474 20 5 CCBDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC[N+](=O)[O-] ZINC000930059550 648816452 /nfs/dbraw/zinc/81/64/52/648816452.db2.gz DWDZUEFTVLVTFV-GRYCIOLGSA-N 2 2 257.334 0.447 20 5 CCBDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC[N+](=O)[O-] ZINC000930059550 648816457 /nfs/dbraw/zinc/81/64/57/648816457.db2.gz DWDZUEFTVLVTFV-GRYCIOLGSA-N 2 2 257.334 0.447 20 5 CCBDLP Cn1cc[nH+]c1CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169009808 836096712 /nfs/dbraw/zinc/09/67/12/836096712.db2.gz YGJBLRDKTYVLFH-WDEREUQCSA-N 2 2 252.318 0.998 20 5 CCBDLP COc1ccc(C[C@@H](C)[NH2+][C@@H]2COC[C@H]2[NH3+])c([N+](=O)[O-])c1 ZINC001170307515 837305389 /nfs/dbraw/zinc/30/53/89/837305389.db2.gz GYAZVFLYOZXXLL-OASPWFOLSA-N 2 2 295.339 0.850 20 5 CCBDLP C[NH+](C)C1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000304310400 354112657 /nfs/dbraw/zinc/11/26/57/354112657.db2.gz KGOCQBSEFOEWQJ-ZDUSSCGKSA-N 2 2 297.359 0.178 20 5 CCBDLP CN(C(=O)C[N@H+](C)CCC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000592473893 359849382 /nfs/dbraw/zinc/84/93/82/359849382.db2.gz SWMWIQHFZMQMJZ-UHFFFAOYSA-N 2 2 280.328 0.838 20 5 CCBDLP CN(C(=O)C[N@@H+](C)CCC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000592473893 359849386 /nfs/dbraw/zinc/84/93/86/359849386.db2.gz SWMWIQHFZMQMJZ-UHFFFAOYSA-N 2 2 280.328 0.838 20 5 CCBDLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000593901284 360199387 /nfs/dbraw/zinc/19/93/87/360199387.db2.gz DWOAAPCFMYUSOH-GFCCVEGCSA-N 2 2 292.339 0.763 20 5 CCBDLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000593902745 360201564 /nfs/dbraw/zinc/20/15/64/360201564.db2.gz VLXCDVMLMNDIPL-GFCCVEGCSA-N 2 2 280.328 0.490 20 5 CCBDLP [NH3+]CCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000414732008 389633341 /nfs/dbraw/zinc/63/33/41/389633341.db2.gz CJKHHOBUMXHENE-UHFFFAOYSA-N 2 2 292.339 0.701 20 5 CCBDLP C[C@@](C[NH3+])([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000430570173 389808538 /nfs/dbraw/zinc/80/85/38/389808538.db2.gz BHQHMCCXCJNXLK-AWEZNQCLSA-N 2 2 292.339 0.911 20 5 CCBDLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000430668831 389817485 /nfs/dbraw/zinc/81/74/85/389817485.db2.gz SBGLWZYBRDNZRM-WDEREUQCSA-N 2 2 267.333 0.993 20 5 CCBDLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000430668831 389817488 /nfs/dbraw/zinc/81/74/88/389817488.db2.gz SBGLWZYBRDNZRM-WDEREUQCSA-N 2 2 267.333 0.993 20 5 CCBDLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000442764360 389862145 /nfs/dbraw/zinc/86/21/45/389862145.db2.gz SZFKXCYPMUZADE-DTWKUNHWSA-N 2 2 253.306 0.497 20 5 CCBDLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000442764360 389862147 /nfs/dbraw/zinc/86/21/47/389862147.db2.gz SZFKXCYPMUZADE-DTWKUNHWSA-N 2 2 253.306 0.497 20 5 CCBDLP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000872154520 646214536 /nfs/dbraw/zinc/21/45/36/646214536.db2.gz WEGUHNJVJBCQPB-CMPLNLGQSA-N 2 2 265.317 0.333 20 5 CCBDLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000872154520 646214541 /nfs/dbraw/zinc/21/45/41/646214541.db2.gz WEGUHNJVJBCQPB-CMPLNLGQSA-N 2 2 265.317 0.333 20 5 CCBDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC[N+](=O)[O-] ZINC000930059555 648817256 /nfs/dbraw/zinc/81/72/56/648817256.db2.gz DWDZUEFTVLVTFV-WOPDTQHZSA-N 2 2 257.334 0.447 20 5 CCBDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC[N+](=O)[O-] ZINC000930059555 648817257 /nfs/dbraw/zinc/81/72/57/648817257.db2.gz DWDZUEFTVLVTFV-WOPDTQHZSA-N 2 2 257.334 0.447 20 5 CCBDLP C[NH+](C)C[C@](C)(O)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001262571590 809350140 /nfs/dbraw/zinc/35/01/40/809350140.db2.gz YQUTUIYXRAGHER-ZIAGYGMSSA-N 2 2 297.355 0.530 20 5 CCBDLP COc1ncc([N+](=O)[O-])cc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169075119 836129068 /nfs/dbraw/zinc/12/90/68/836129068.db2.gz VTNJUNKREYVTNU-MRVPVSSYSA-N 2 2 293.283 0.046 20 5 CCBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](CC[NH3+])CCO ZINC001173215322 842016551 /nfs/dbraw/zinc/01/65/51/842016551.db2.gz UZXWPIDLKXAUMT-NSHDSACASA-N 2 2 267.329 0.779 20 5 CCBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](CC[NH3+])CCO ZINC001173215322 842016544 /nfs/dbraw/zinc/01/65/44/842016544.db2.gz UZXWPIDLKXAUMT-NSHDSACASA-N 2 2 267.329 0.779 20 5 CCBDLP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000261602323 137011742 /nfs/dbraw/zinc/01/17/42/137011742.db2.gz BYQZOXPMGZRWQG-CQSZACIVSA-N 2 2 292.339 0.864 20 5 CCBDLP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000261602323 137011743 /nfs/dbraw/zinc/01/17/43/137011743.db2.gz BYQZOXPMGZRWQG-CQSZACIVSA-N 2 2 292.339 0.864 20 5 CCBDLP CC[C@@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000603429680 363128505 /nfs/dbraw/zinc/12/85/05/363128505.db2.gz OSWLFULEKNIYKF-MWLCHTKSSA-N 2 2 267.333 0.888 20 5 CCBDLP CC[C@@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000603429680 363128509 /nfs/dbraw/zinc/12/85/09/363128509.db2.gz OSWLFULEKNIYKF-MWLCHTKSSA-N 2 2 267.333 0.888 20 5 CCBDLP C[C@@H]([NH3+])C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000564729825 291296960 /nfs/dbraw/zinc/29/69/60/291296960.db2.gz UULLTIJYVZZWCY-SECBINFHSA-N 2 2 253.306 0.775 20 5 CCBDLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000430668823 249022346 /nfs/dbraw/zinc/02/23/46/249022346.db2.gz SBGLWZYBRDNZRM-GHMZBOCLSA-N 2 2 267.333 0.993 20 5 CCBDLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000430668823 249022348 /nfs/dbraw/zinc/02/23/48/249022348.db2.gz SBGLWZYBRDNZRM-GHMZBOCLSA-N 2 2 267.333 0.993 20 5 CCBDLP C[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]1C[NH3+] ZINC000430586667 389809916 /nfs/dbraw/zinc/80/99/16/389809916.db2.gz WVJOHDCIMXYWST-WDEREUQCSA-N 2 2 267.333 0.851 20 5 CCBDLP C[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]1C[NH3+] ZINC000430586667 389809918 /nfs/dbraw/zinc/80/99/18/389809918.db2.gz WVJOHDCIMXYWST-WDEREUQCSA-N 2 2 267.333 0.851 20 5 CCBDLP C[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1C[NH3+] ZINC000430599128 389811352 /nfs/dbraw/zinc/81/13/52/389811352.db2.gz VDFUMOBYHKYFNV-PWSUYJOCSA-N 2 2 267.333 0.851 20 5 CCBDLP C[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1C[NH3+] ZINC000430599128 389811354 /nfs/dbraw/zinc/81/13/54/389811354.db2.gz VDFUMOBYHKYFNV-PWSUYJOCSA-N 2 2 267.333 0.851 20 5 CCBDLP NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000044531006 175196040 /nfs/dbraw/zinc/19/60/40/175196040.db2.gz DZHRYCSMHSUFGR-SNVBAGLBSA-N 2 2 292.339 0.864 20 5 CCBDLP NC(=O)c1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000044531006 175196041 /nfs/dbraw/zinc/19/60/41/175196041.db2.gz DZHRYCSMHSUFGR-SNVBAGLBSA-N 2 2 292.339 0.864 20 5 CCBDLP C[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1C[NH3+] ZINC000430586665 287354618 /nfs/dbraw/zinc/35/46/18/287354618.db2.gz WVJOHDCIMXYWST-MNOVXSKESA-N 2 2 267.333 0.851 20 5 CCBDLP C[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1C[NH3+] ZINC000430586665 287354619 /nfs/dbraw/zinc/35/46/19/287354619.db2.gz WVJOHDCIMXYWST-MNOVXSKESA-N 2 2 267.333 0.851 20 5 CCBDLP O=[N+]([O-])CC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000905176952 634820450 /nfs/dbraw/zinc/82/04/50/634820450.db2.gz UROFVWFUFYPDSC-CHWSQXEVSA-N 2 2 271.361 0.621 20 5 CCBDLP [NH3+][C@H]1C[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000906507783 635001980 /nfs/dbraw/zinc/00/19/80/635001980.db2.gz BZRKNZOPRDVJCT-MGCOHNPYSA-N 2 2 279.296 0.945 20 5 CCBDLP Cn1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c([N+](=O)[O-])n1 ZINC000923516301 640173456 /nfs/dbraw/zinc/17/34/56/640173456.db2.gz YJCGZGSCKMXAEH-VHSXEESVSA-N 2 2 265.317 0.370 20 5 CCBDLP Cn1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c([N+](=O)[O-])n1 ZINC000923516301 640173462 /nfs/dbraw/zinc/17/34/62/640173462.db2.gz YJCGZGSCKMXAEH-VHSXEESVSA-N 2 2 265.317 0.370 20 5 CCBDLP Cc1[nH+]c2c(n1-c1ccc([N+](=O)[O-])c(N)n1)CC[NH2+]CC2 ZINC001165352790 802825901 /nfs/dbraw/zinc/82/59/01/802825901.db2.gz FRDWMKCHFFVIPP-UHFFFAOYSA-N 2 2 288.311 0.754 20 5 CCBDLP COc1ccnc(NC(=[NH2+])N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001168736148 818542389 /nfs/dbraw/zinc/54/23/89/818542389.db2.gz KSSHMCLDKUYUGB-UHFFFAOYSA-N 2 2 294.315 0.592 20 5 CCBDLP Cn1cc[nH+]c1CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169009807 836096956 /nfs/dbraw/zinc/09/69/56/836096956.db2.gz YGJBLRDKTYVLFH-QWRGUYRKSA-N 2 2 252.318 0.998 20 5 CCBDLP COc1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cnc1[N+](=O)[O-] ZINC001169074717 836127346 /nfs/dbraw/zinc/12/73/46/836127346.db2.gz KUVPIYXRVOKJIV-MRVPVSSYSA-N 2 2 293.283 0.046 20 5 CCBDLP C[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000124294886 350094645 /nfs/dbraw/zinc/09/46/45/350094645.db2.gz RWFMMTFRZGVADN-CYBMUJFWSA-N 2 2 292.339 0.239 20 5 CCBDLP C[N@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000124294886 350094647 /nfs/dbraw/zinc/09/46/47/350094647.db2.gz RWFMMTFRZGVADN-CYBMUJFWSA-N 2 2 292.339 0.239 20 5 CCBDLP C[C@H]([NH3+])C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000564729826 291296803 /nfs/dbraw/zinc/29/68/03/291296803.db2.gz UULLTIJYVZZWCY-VIFPVBQESA-N 2 2 253.306 0.775 20 5 CCBDLP C[N@H+](CC[NH3+])CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420384042 389995260 /nfs/dbraw/zinc/99/52/60/389995260.db2.gz RCTSJAOLUFQCFU-UHFFFAOYSA-N 2 2 266.301 0.814 20 5 CCBDLP C[N@@H+](CC[NH3+])CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420384042 389995262 /nfs/dbraw/zinc/99/52/62/389995262.db2.gz RCTSJAOLUFQCFU-UHFFFAOYSA-N 2 2 266.301 0.814 20 5 CCBDLP NC(=O)c1ccc(C[NH2+]CC2([NH3+])CCC2)c([N+](=O)[O-])c1 ZINC000342134627 130291948 /nfs/dbraw/zinc/29/19/48/130291948.db2.gz KTNBEXCRWNOVQQ-UHFFFAOYSA-N 2 2 278.312 0.665 20 5 CCBDLP Cc1cc([N+](=O)[O-])cnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158203903 801593256 /nfs/dbraw/zinc/59/32/56/801593256.db2.gz SBBJJDAFVXCIHH-SECBINFHSA-N 2 2 277.284 0.346 20 5 CCBDLP Cc1c[n+]([O-])c(NC(=[NH2+])NCCCC[NH3+])cc1[N+](=O)[O-] ZINC001167877680 812379073 /nfs/dbraw/zinc/37/90/73/812379073.db2.gz JXPBJRGHFHSURY-UHFFFAOYSA-N 2 2 282.304 0.212 20 5 CCBDLP C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000121969121 350060645 /nfs/dbraw/zinc/06/06/45/350060645.db2.gz WCGJTQBCFFHPCY-CYBMUJFWSA-N 2 2 264.329 0.670 20 5 CCBDLP C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000121969121 350060647 /nfs/dbraw/zinc/06/06/47/350060647.db2.gz WCGJTQBCFFHPCY-CYBMUJFWSA-N 2 2 264.329 0.670 20 5 CCBDLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000593902265 360200775 /nfs/dbraw/zinc/20/07/75/360200775.db2.gz RPICHFOWTMZHEF-NSHDSACASA-N 2 2 280.328 0.490 20 5 CCBDLP COc1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000593907984 360205318 /nfs/dbraw/zinc/20/53/18/360205318.db2.gz XUDDKMKQSVIGGQ-JTQLQIEISA-N 2 2 296.327 0.821 20 5 CCBDLP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000598683362 361481717 /nfs/dbraw/zinc/48/17/17/361481717.db2.gz RXHFQXUZEGKRHI-PWSUYJOCSA-N 2 2 265.317 0.605 20 5 CCBDLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000598683362 361481720 /nfs/dbraw/zinc/48/17/20/361481720.db2.gz RXHFQXUZEGKRHI-PWSUYJOCSA-N 2 2 265.317 0.605 20 5 CCBDLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000518564125 249255737 /nfs/dbraw/zinc/25/57/37/249255737.db2.gz IAMXVXYTMZXKPZ-NWDGAFQWSA-N 2 2 290.323 0.339 20 5 CCBDLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000518564125 249255742 /nfs/dbraw/zinc/25/57/42/249255742.db2.gz IAMXVXYTMZXKPZ-NWDGAFQWSA-N 2 2 290.323 0.339 20 5 CCBDLP C[NH+](C)C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000132029663 389220499 /nfs/dbraw/zinc/22/04/99/389220499.db2.gz HPRHECAQUICZMG-LBPRGKRZSA-N 2 2 294.355 0.640 20 5 CCBDLP C[NH+](C)C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000132029663 389220501 /nfs/dbraw/zinc/22/05/01/389220501.db2.gz HPRHECAQUICZMG-LBPRGKRZSA-N 2 2 294.355 0.640 20 5 CCBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342095740 130256702 /nfs/dbraw/zinc/25/67/02/130256702.db2.gz ZAMNBVRBFJMVJJ-AXFHLTTASA-N 2 2 279.344 0.888 20 5 CCBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342095740 130256704 /nfs/dbraw/zinc/25/67/04/130256704.db2.gz ZAMNBVRBFJMVJJ-AXFHLTTASA-N 2 2 279.344 0.888 20 5 CCBDLP Cc1ncc([N+](=O)[O-])c(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)n1 ZINC001160509846 801953300 /nfs/dbraw/zinc/95/33/00/801953300.db2.gz BKWIAJTYBUKSCP-ZDUSSCGKSA-N 2 2 292.343 0.528 20 5 CCBDLP Cc1cc(NC(=[NH2+])N2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC001168737182 818560351 /nfs/dbraw/zinc/56/03/51/818560351.db2.gz WFUJFSMHDGHQEA-UHFFFAOYSA-N 2 2 278.316 0.892 20 5 CCBDLP Cc1cccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1[N+](=O)[O-] ZINC001169073022 836125425 /nfs/dbraw/zinc/12/54/25/836125425.db2.gz YJGVOESXDNGORM-SNVBAGLBSA-N 2 2 276.296 0.951 20 5 CCBDLP C[N@H+](CCOCC[NH3+])Cc1cc(O)ccc1[N+](=O)[O-] ZINC000600739536 362050969 /nfs/dbraw/zinc/05/09/69/362050969.db2.gz CVVISLDWLUCEAK-UHFFFAOYSA-N 2 2 269.301 0.708 20 5 CCBDLP C[N@@H+](CCOCC[NH3+])Cc1cc(O)ccc1[N+](=O)[O-] ZINC000600739536 362050971 /nfs/dbraw/zinc/05/09/71/362050971.db2.gz CVVISLDWLUCEAK-UHFFFAOYSA-N 2 2 269.301 0.708 20 5 CCBDLP [NH3+][C@@H]1CCCCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000601323511 362220485 /nfs/dbraw/zinc/22/04/85/362220485.db2.gz BIRMYXPAHYAFTB-LLVKDONJSA-N 2 2 267.333 0.995 20 5 CCBDLP [NH3+][C@@H]1CCCCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000601323511 362220493 /nfs/dbraw/zinc/22/04/93/362220493.db2.gz BIRMYXPAHYAFTB-LLVKDONJSA-N 2 2 267.333 0.995 20 5 CCBDLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000358145513 529809490 /nfs/dbraw/zinc/80/94/90/529809490.db2.gz WAAMHMKWPICLTD-ZDUSSCGKSA-N 2 2 265.313 0.751 20 5 CCBDLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000358145513 529809492 /nfs/dbraw/zinc/80/94/92/529809492.db2.gz WAAMHMKWPICLTD-ZDUSSCGKSA-N 2 2 265.313 0.751 20 5 CCBDLP Cn1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])n1 ZINC000602474607 362637232 /nfs/dbraw/zinc/63/72/32/362637232.db2.gz QDYSYWRNXDFSDD-JTQLQIEISA-N 2 2 267.333 0.712 20 5 CCBDLP Cn1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])n1 ZINC000602474607 362637235 /nfs/dbraw/zinc/63/72/35/362637235.db2.gz QDYSYWRNXDFSDD-JTQLQIEISA-N 2 2 267.333 0.712 20 5 CCBDLP C[N@@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000124294610 350093896 /nfs/dbraw/zinc/09/38/96/350093896.db2.gz ZRXWDHWRCWEBJI-LBPRGKRZSA-N 2 2 292.339 0.239 20 5 CCBDLP C[N@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000124294610 350093899 /nfs/dbraw/zinc/09/38/99/350093899.db2.gz ZRXWDHWRCWEBJI-LBPRGKRZSA-N 2 2 292.339 0.239 20 5 CCBDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000225329612 352002284 /nfs/dbraw/zinc/00/22/84/352002284.db2.gz RFDJLYJLTCSUKZ-AWEZNQCLSA-N 2 2 278.356 0.930 20 5 CCBDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000225329612 352002287 /nfs/dbraw/zinc/00/22/87/352002287.db2.gz RFDJLYJLTCSUKZ-AWEZNQCLSA-N 2 2 278.356 0.930 20 5 CCBDLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000603430123 363128919 /nfs/dbraw/zinc/12/89/19/363128919.db2.gz SVMUMQZWVCANDU-NXEZZACHSA-N 2 2 267.333 0.888 20 5 CCBDLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000603430123 363128923 /nfs/dbraw/zinc/12/89/23/363128923.db2.gz SVMUMQZWVCANDU-NXEZZACHSA-N 2 2 267.333 0.888 20 5 CCBDLP Cn1cc(C[NH+]2CCC3(CC[NH2+]3)CC2)c([N+](=O)[O-])n1 ZINC000603431479 363129199 /nfs/dbraw/zinc/12/91/99/363129199.db2.gz YCKFKKCLTFACJS-UHFFFAOYSA-N 2 2 265.317 0.656 20 5 CCBDLP C[NH+](C)C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000132029885 389220493 /nfs/dbraw/zinc/22/04/93/389220493.db2.gz HPRHECAQUICZMG-GFCCVEGCSA-N 2 2 294.355 0.640 20 5 CCBDLP C[NH+](C)C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000132029885 389220495 /nfs/dbraw/zinc/22/04/95/389220495.db2.gz HPRHECAQUICZMG-GFCCVEGCSA-N 2 2 294.355 0.640 20 5 CCBDLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000414956953 389647772 /nfs/dbraw/zinc/64/77/72/389647772.db2.gz BAJHTULJSYOWPA-ZDUSSCGKSA-N 2 2 264.329 0.588 20 5 CCBDLP Cc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000414956414 389647935 /nfs/dbraw/zinc/64/79/35/389647935.db2.gz AHKCXQWDPLSGHH-ZDUSSCGKSA-N 2 2 278.356 0.896 20 5 CCBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414980240 389650895 /nfs/dbraw/zinc/65/08/95/389650895.db2.gz VNSVQLVPIWBWQX-CQSZACIVSA-N 2 2 278.356 0.896 20 5 CCBDLP C[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1C[NH3+] ZINC000430599126 389811333 /nfs/dbraw/zinc/81/13/33/389811333.db2.gz VDFUMOBYHKYFNV-CMPLNLGQSA-N 2 2 267.333 0.851 20 5 CCBDLP C[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1C[NH3+] ZINC000430599126 389811334 /nfs/dbraw/zinc/81/13/34/389811334.db2.gz VDFUMOBYHKYFNV-CMPLNLGQSA-N 2 2 267.333 0.851 20 5 CCBDLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000442764364 389862151 /nfs/dbraw/zinc/86/21/51/389862151.db2.gz SZFKXCYPMUZADE-IUCAKERBSA-N 2 2 253.306 0.497 20 5 CCBDLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000442764364 389862154 /nfs/dbraw/zinc/86/21/54/389862154.db2.gz SZFKXCYPMUZADE-IUCAKERBSA-N 2 2 253.306 0.497 20 5 CCBDLP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000071145234 176042274 /nfs/dbraw/zinc/04/22/74/176042274.db2.gz QDJQVYQVNHPGQT-JTQLQIEISA-N 2 2 292.339 0.735 20 5 CCBDLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000071145234 176042275 /nfs/dbraw/zinc/04/22/75/176042275.db2.gz QDJQVYQVNHPGQT-JTQLQIEISA-N 2 2 292.339 0.735 20 5 CCBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357073220 527490540 /nfs/dbraw/zinc/49/05/40/527490540.db2.gz DWCZMUCIZWRAQP-VHSXEESVSA-N 2 2 265.317 0.370 20 5 CCBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357073220 527490543 /nfs/dbraw/zinc/49/05/43/527490543.db2.gz DWCZMUCIZWRAQP-VHSXEESVSA-N 2 2 265.317 0.370 20 5 CCBDLP C[NH+]1CCN(c2ncccc2C[NH2+]CC[N+](=O)[O-])CC1 ZINC000905065173 616247594 /nfs/dbraw/zinc/24/75/94/616247594.db2.gz NMZLAJINPJXLPJ-UHFFFAOYSA-N 2 2 279.344 0.200 20 5 CCBDLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817982831 641287275 /nfs/dbraw/zinc/28/72/75/641287275.db2.gz IFAIMGAOXNWPLF-MWLCHTKSSA-N 2 2 280.328 0.816 20 5 CCBDLP COC(=O)[C@@H]1C[C@@H](OCCC[N+](C)(C)C)C[N@@H+]1C ZINC001224623049 815348477 /nfs/dbraw/zinc/34/84/77/815348477.db2.gz KOZQRZVEHIAKNK-NEPJUHHUSA-N 2 2 259.370 0.345 20 5 CCBDLP COC(=O)[C@@H]1C[C@@H](OCCC[N+](C)(C)C)C[N@H+]1C ZINC001224623049 815348483 /nfs/dbraw/zinc/34/84/83/815348483.db2.gz KOZQRZVEHIAKNK-NEPJUHHUSA-N 2 2 259.370 0.345 20 5 CCBDLP Cn1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c([N+](=O)[O-])n1 ZINC000602675233 362743137 /nfs/dbraw/zinc/74/31/37/362743137.db2.gz ZUNNLUNSOFFBSW-ZDUSSCGKSA-N 2 2 279.344 0.856 20 5 CCBDLP Cn1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c([N+](=O)[O-])n1 ZINC000602675233 362743144 /nfs/dbraw/zinc/74/31/44/362743144.db2.gz ZUNNLUNSOFFBSW-ZDUSSCGKSA-N 2 2 279.344 0.856 20 5 CCBDLP Cn1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])n1 ZINC000602675233 362743149 /nfs/dbraw/zinc/74/31/49/362743149.db2.gz ZUNNLUNSOFFBSW-ZDUSSCGKSA-N 2 2 279.344 0.856 20 5 CCBDLP Cn1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c([N+](=O)[O-])n1 ZINC000602675233 362743155 /nfs/dbraw/zinc/74/31/55/362743155.db2.gz ZUNNLUNSOFFBSW-ZDUSSCGKSA-N 2 2 279.344 0.856 20 5 CCBDLP Cn1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)c([N+](=O)[O-])n1 ZINC000603431763 363130422 /nfs/dbraw/zinc/13/04/22/363130422.db2.gz YSRQDDLKIITDEA-LLVKDONJSA-N 2 2 253.306 0.499 20 5 CCBDLP Cn1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)c([N+](=O)[O-])n1 ZINC000603431763 363130427 /nfs/dbraw/zinc/13/04/27/363130427.db2.gz YSRQDDLKIITDEA-LLVKDONJSA-N 2 2 253.306 0.499 20 5 CCBDLP Cc1[nH+]cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)n1C ZINC000573743110 358995947 /nfs/dbraw/zinc/99/59/47/358995947.db2.gz GJTPCBHPYMSXNK-UHFFFAOYSA-N 2 2 264.289 0.623 20 5 CCBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000749684392 582017184 /nfs/dbraw/zinc/01/71/84/582017184.db2.gz BUPSKJNGLKSXHM-YRGRVCCFSA-N 2 2 277.324 0.779 20 5 CCBDLP C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@H](O)C[NH3+] ZINC000841091549 616167507 /nfs/dbraw/zinc/16/75/07/616167507.db2.gz AENKYJSWTHHPGW-SECBINFHSA-N 2 2 273.720 1.000 20 5 CCBDLP C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@H](O)C[NH3+] ZINC000841091549 616167508 /nfs/dbraw/zinc/16/75/08/616167508.db2.gz AENKYJSWTHHPGW-SECBINFHSA-N 2 2 273.720 1.000 20 5 CCBDLP O=[N+]([O-])c1cnn(C2CC([NH2+]CCn3cc[nH+]c3)C2)c1 ZINC000876891942 646692006 /nfs/dbraw/zinc/69/20/06/646692006.db2.gz IAMZPGVXIXFGNL-UHFFFAOYSA-N 2 2 276.300 0.981 20 5 CCBDLP Cc1ncc([N+](=O)[O-])c(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)n1 ZINC001160509845 801952998 /nfs/dbraw/zinc/95/29/98/801952998.db2.gz BKWIAJTYBUKSCP-CYBMUJFWSA-N 2 2 292.343 0.528 20 5 CCBDLP [NH3+]C1CC[NH+](CCNc2cc([N+](=O)[O-])cc[n+]2[O-])CC1 ZINC001161867795 802234862 /nfs/dbraw/zinc/23/48/62/802234862.db2.gz ZJQWPOPFNXHFKE-UHFFFAOYSA-N 2 2 281.316 0.063 20 5 CCBDLP Cc1[nH+]c2c(n1-c1nc(C)ncc1[N+](=O)[O-])CC[NH2+]CC2 ZINC001165353568 802825795 /nfs/dbraw/zinc/82/57/95/802825795.db2.gz RHZFBBUYZDZJDY-UHFFFAOYSA-N 2 2 288.311 0.876 20 5 CCBDLP COc1nc(NC(=[NH2+])N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001157914891 837693700 /nfs/dbraw/zinc/69/37/00/837693700.db2.gz OGXHRDQQKFYISV-UHFFFAOYSA-N 2 2 294.315 0.592 20 5 CCBDLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000358160235 529809891 /nfs/dbraw/zinc/80/98/91/529809891.db2.gz KCOARIFTBVDCEU-ZDUSSCGKSA-N 2 2 265.313 0.751 20 5 CCBDLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000358160235 529809892 /nfs/dbraw/zinc/80/98/92/529809892.db2.gz KCOARIFTBVDCEU-ZDUSSCGKSA-N 2 2 265.313 0.751 20 5 CCBDLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000603430620 363129511 /nfs/dbraw/zinc/12/95/11/363129511.db2.gz UAXTZXGAASDRNC-RKDXNWHRSA-N 2 2 253.306 0.497 20 5 CCBDLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000603430620 363129517 /nfs/dbraw/zinc/12/95/17/363129517.db2.gz UAXTZXGAASDRNC-RKDXNWHRSA-N 2 2 253.306 0.497 20 5 CCBDLP C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@@H](O)C[NH3+] ZINC000591283007 359574577 /nfs/dbraw/zinc/57/45/77/359574577.db2.gz GMGWBCPMQSSBCQ-JTQLQIEISA-N 2 2 297.311 0.117 20 5 CCBDLP C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@@H](O)C[NH3+] ZINC000591283007 359574580 /nfs/dbraw/zinc/57/45/80/359574580.db2.gz GMGWBCPMQSSBCQ-JTQLQIEISA-N 2 2 297.311 0.117 20 5 CCBDLP O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H]3C[NH2+]CCO3)CC2)n1 ZINC000595890984 360691835 /nfs/dbraw/zinc/69/18/35/360691835.db2.gz GXMLZJMDRMDVPO-GFCCVEGCSA-N 2 2 295.343 0.417 20 5 CCBDLP O=[N+]([O-])c1cccc(C[NH2+]C2(CO)CC[NH2+]CC2)c1 ZINC000595902233 360697200 /nfs/dbraw/zinc/69/72/00/360697200.db2.gz OARFNUYQAJOBLC-UHFFFAOYSA-N 2 2 265.313 0.799 20 5 CCBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351496001 389594459 /nfs/dbraw/zinc/59/44/59/389594459.db2.gz QTVNHWPJOVMOSH-AEJSXWLSSA-N 2 2 265.317 0.497 20 5 CCBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351496001 389594464 /nfs/dbraw/zinc/59/44/64/389594464.db2.gz QTVNHWPJOVMOSH-AEJSXWLSSA-N 2 2 265.317 0.497 20 5 CCBDLP COc1ccc(C[NH2+]C[C@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000414966221 389649108 /nfs/dbraw/zinc/64/91/08/389649108.db2.gz OFXLOQVESAEKHC-GFCCVEGCSA-N 2 2 294.355 0.597 20 5 CCBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414980236 389650956 /nfs/dbraw/zinc/65/09/56/389650956.db2.gz VNSVQLVPIWBWQX-AWEZNQCLSA-N 2 2 278.356 0.896 20 5 CCBDLP CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CC[NH2+]C1 ZINC000430933552 389836856 /nfs/dbraw/zinc/83/68/56/389836856.db2.gz IRUNJWXZUPAHGB-LLVKDONJSA-N 2 2 267.333 0.865 20 5 CCBDLP CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CC[NH2+]C1 ZINC000430933552 389836858 /nfs/dbraw/zinc/83/68/58/389836858.db2.gz IRUNJWXZUPAHGB-LLVKDONJSA-N 2 2 267.333 0.865 20 5 CCBDLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817982829 641286890 /nfs/dbraw/zinc/28/68/90/641286890.db2.gz IFAIMGAOXNWPLF-GXSJLCMTSA-N 2 2 280.328 0.816 20 5 CCBDLP C[N+](C)(C)C[C@H](O)CC(=O)Oc1[nH+]ccc2[nH]ccc21 ZINC001230688472 805646734 /nfs/dbraw/zinc/64/67/34/805646734.db2.gz KNDARZSRPRXPKR-SNVBAGLBSA-N 2 2 278.332 0.926 20 5 CCBDLP [NH3+]C1CC[NH+](CCNc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000721859064 805956839 /nfs/dbraw/zinc/95/68/39/805956839.db2.gz LFKTUCCACXRUNY-UHFFFAOYSA-N 2 2 283.307 0.964 20 5 CCBDLP Cc1nc(NC(=[NH2+])N2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC001157916197 801520008 /nfs/dbraw/zinc/52/00/08/801520008.db2.gz NPKYEPBXQSKTOA-UHFFFAOYSA-N 2 2 279.304 0.287 20 5 CCBDLP [NH3+]C[C@@]1(Nc2ncc([N+](=O)[O-])cc2F)C[NH+]2CCC1CC2 ZINC001160511505 801955548 /nfs/dbraw/zinc/95/55/48/801955548.db2.gz NUCQGTIWCKGQTF-CYBMUJFWSA-N 2 2 295.318 0.964 20 5 CCBDLP COc1cnc(NC(=[NH2+])N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001168736011 818540361 /nfs/dbraw/zinc/54/03/61/818540361.db2.gz XSXILHVUZAFRBL-UHFFFAOYSA-N 2 2 294.315 0.592 20 5 CCBDLP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3cc([N+](=O)[O-])ccn3)CC2)C1 ZINC001158258597 838008960 /nfs/dbraw/zinc/00/89/60/838008960.db2.gz DHBCOXAZARMKPI-LLVKDONJSA-N 2 2 291.355 0.992 20 5 CCBDLP [NH3+][C@@H]1CC[N@H+](C2CCN(c3cc([N+](=O)[O-])ccn3)CC2)C1 ZINC001158258597 838008971 /nfs/dbraw/zinc/00/89/71/838008971.db2.gz DHBCOXAZARMKPI-LLVKDONJSA-N 2 2 291.355 0.992 20 5 CCBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](CC[NH3+])CCO ZINC001173215321 842016911 /nfs/dbraw/zinc/01/69/11/842016911.db2.gz UZXWPIDLKXAUMT-LLVKDONJSA-N 2 2 267.329 0.779 20 5 CCBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](CC[NH3+])CCO ZINC001173215321 842016921 /nfs/dbraw/zinc/01/69/21/842016921.db2.gz UZXWPIDLKXAUMT-LLVKDONJSA-N 2 2 267.329 0.779 20 5 CCBDLP C[N@@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000135244332 350389285 /nfs/dbraw/zinc/38/92/85/350389285.db2.gz ZCMQKLBDMCDJIN-CYBMUJFWSA-N 2 2 292.339 0.239 20 5 CCBDLP C[N@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000135244332 350389287 /nfs/dbraw/zinc/38/92/87/350389287.db2.gz ZCMQKLBDMCDJIN-CYBMUJFWSA-N 2 2 292.339 0.239 20 5 CCBDLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000569823772 358796523 /nfs/dbraw/zinc/79/65/23/358796523.db2.gz AIOAXQJDLJHVFD-CHWSQXEVSA-N 2 2 290.323 0.339 20 5 CCBDLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000569823772 358796526 /nfs/dbraw/zinc/79/65/26/358796526.db2.gz AIOAXQJDLJHVFD-CHWSQXEVSA-N 2 2 290.323 0.339 20 5 CCBDLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000351859679 389701256 /nfs/dbraw/zinc/70/12/56/389701256.db2.gz GPLCKCGOEADHLZ-RKDXNWHRSA-N 2 2 253.306 0.497 20 5 CCBDLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000351859679 389701258 /nfs/dbraw/zinc/70/12/58/389701258.db2.gz GPLCKCGOEADHLZ-RKDXNWHRSA-N 2 2 253.306 0.497 20 5 CCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000520492174 390577815 /nfs/dbraw/zinc/57/78/15/390577815.db2.gz DVLHJEBTXSDITD-GFCCVEGCSA-N 2 2 294.315 0.029 20 5 CCBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342095742 130256190 /nfs/dbraw/zinc/25/61/90/130256190.db2.gz ZAMNBVRBFJMVJJ-GARJFASQSA-N 2 2 279.344 0.888 20 5 CCBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342095742 130256193 /nfs/dbraw/zinc/25/61/93/130256193.db2.gz ZAMNBVRBFJMVJJ-GARJFASQSA-N 2 2 279.344 0.888 20 5 CCBDLP O=[N+]([O-])CC[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000905052212 634786480 /nfs/dbraw/zinc/78/64/80/634786480.db2.gz NSOZZYJFSHLBTQ-UHFFFAOYSA-N 2 2 279.340 0.885 20 5 CCBDLP COc1ccc([N+](=O)[O-])nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169075457 836128168 /nfs/dbraw/zinc/12/81/68/836128168.db2.gz YVLULZAPIBKCHS-MRVPVSSYSA-N 2 2 293.283 0.046 20 5 CCBDLP Cn1cc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])n1 ZINC000602817409 362817546 /nfs/dbraw/zinc/81/75/46/362817546.db2.gz HDDGPSNMSUVVSH-UHFFFAOYSA-N 2 2 291.315 0.374 20 5 CCBDLP CC[C@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000603429678 363128672 /nfs/dbraw/zinc/12/86/72/363128672.db2.gz OSWLFULEKNIYKF-GXSJLCMTSA-N 2 2 267.333 0.888 20 5 CCBDLP CC[C@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000603429678 363128677 /nfs/dbraw/zinc/12/86/77/363128677.db2.gz OSWLFULEKNIYKF-GXSJLCMTSA-N 2 2 267.333 0.888 20 5 CCBDLP Cn1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])n1 ZINC000603430833 363130084 /nfs/dbraw/zinc/13/00/84/363130084.db2.gz VDEKUSPPZCTGRS-GFCCVEGCSA-N 2 2 265.317 0.514 20 5 CCBDLP Cn1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])n1 ZINC000603430833 363130090 /nfs/dbraw/zinc/13/00/90/363130090.db2.gz VDEKUSPPZCTGRS-GFCCVEGCSA-N 2 2 265.317 0.514 20 5 CCBDLP O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428039663 235393018 /nfs/dbraw/zinc/39/30/18/235393018.db2.gz SNZDFSOJRXCYPD-JQWIXIFHSA-N 2 2 265.317 0.475 20 5 CCBDLP O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428039663 235393021 /nfs/dbraw/zinc/39/30/21/235393021.db2.gz SNZDFSOJRXCYPD-JQWIXIFHSA-N 2 2 265.317 0.475 20 5 CCBDLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000569823774 358796680 /nfs/dbraw/zinc/79/66/80/358796680.db2.gz AIOAXQJDLJHVFD-OLZOCXBDSA-N 2 2 290.323 0.339 20 5 CCBDLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000569823774 358796683 /nfs/dbraw/zinc/79/66/83/358796683.db2.gz AIOAXQJDLJHVFD-OLZOCXBDSA-N 2 2 290.323 0.339 20 5 CCBDLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000593903644 360202099 /nfs/dbraw/zinc/20/20/99/360202099.db2.gz IRXAICJJGLDUDA-ZDUSSCGKSA-N 2 2 294.355 0.533 20 5 CCBDLP Cc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000566230549 291379974 /nfs/dbraw/zinc/37/99/74/291379974.db2.gz VLNBROHHTXHYSN-CQSZACIVSA-N 2 2 278.356 0.978 20 5 CCBDLP Cc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000566230549 291379977 /nfs/dbraw/zinc/37/99/77/291379977.db2.gz VLNBROHHTXHYSN-CQSZACIVSA-N 2 2 278.356 0.978 20 5 CCBDLP C[N@H+](CCN1CC[NH2+]CC1)Cc1cccnc1[N+](=O)[O-] ZINC000886826966 616088705 /nfs/dbraw/zinc/08/87/05/616088705.db2.gz AUISJGWAMLYNML-UHFFFAOYSA-N 2 2 279.344 0.327 20 5 CCBDLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cccnc1[N+](=O)[O-] ZINC000886826966 616088707 /nfs/dbraw/zinc/08/87/07/616088707.db2.gz AUISJGWAMLYNML-UHFFFAOYSA-N 2 2 279.344 0.327 20 5 CCBDLP Cc1[nH+]ccn1-c1ccc(C[NH2+]CC[N+](=O)[O-])cn1 ZINC000905059589 634793028 /nfs/dbraw/zinc/79/30/28/634793028.db2.gz ORHVDYNBPSHNHV-UHFFFAOYSA-N 2 2 261.285 0.942 20 5 CCBDLP O=[N+]([O-])CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000905108803 634798612 /nfs/dbraw/zinc/79/86/12/634798612.db2.gz CDIXYOHRYLYKAI-GFCCVEGCSA-N 2 2 257.334 0.496 20 5 CCBDLP O=[N+]([O-])c1ccc(O)cc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923460467 640148142 /nfs/dbraw/zinc/14/81/42/640148142.db2.gz SNAOJHVMYRPVJD-UHFFFAOYSA-N 2 2 280.328 0.295 20 5 CCBDLP COc1cnc(NCC[NH+]2CCC([NH3+])CC2)c([N+](=O)[O-])c1 ZINC001161867870 802233423 /nfs/dbraw/zinc/23/34/23/802233423.db2.gz UAFAEJNRCBJPMP-UHFFFAOYSA-N 2 2 295.343 0.833 20 5 CCBDLP COc1nc(NCC[NH+]2CCC([NH3+])CC2)ccc1[N+](=O)[O-] ZINC001161867788 802234876 /nfs/dbraw/zinc/23/48/76/802234876.db2.gz YZKWASPUZZYTTF-UHFFFAOYSA-N 2 2 295.343 0.833 20 5 CCBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COC[C@H]1[NH3+] ZINC001254538418 808257961 /nfs/dbraw/zinc/25/79/61/808257961.db2.gz URCGURPYIKYSAZ-YUSALJHKSA-N 2 2 265.313 0.842 20 5 CCBDLP C[NH+]1CCN(C(=[NH2+])Nc2cnc(F)c([N+](=O)[O-])c2)CC1 ZINC001168740644 818605739 /nfs/dbraw/zinc/60/57/39/818605739.db2.gz LJUXYSUIUCFXSY-UHFFFAOYSA-N 2 2 282.279 0.723 20 5 CCBDLP COc1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1[N+](=O)[O-] ZINC001169072802 836125750 /nfs/dbraw/zinc/12/57/50/836125750.db2.gz ZBMOXTHCLKOUQV-MRVPVSSYSA-N 2 2 293.283 0.046 20 5 CCBDLP C[NH+](C)C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174861586 351107706 /nfs/dbraw/zinc/10/77/06/351107706.db2.gz JICKIDJIEBGIDV-NSHDSACASA-N 2 2 267.333 0.675 20 5 CCBDLP C[NH+](C)C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174861586 351107710 /nfs/dbraw/zinc/10/77/10/351107710.db2.gz JICKIDJIEBGIDV-NSHDSACASA-N 2 2 267.333 0.675 20 5 CCBDLP C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H](C[NH3+])C1 ZINC000420331700 358178719 /nfs/dbraw/zinc/17/87/19/358178719.db2.gz IWVNSAQLXJDWJP-MNOVXSKESA-N 2 2 267.333 0.851 20 5 CCBDLP C[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@H](C[NH3+])C1 ZINC000420331700 358178725 /nfs/dbraw/zinc/17/87/25/358178725.db2.gz IWVNSAQLXJDWJP-MNOVXSKESA-N 2 2 267.333 0.851 20 5 CCBDLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000430665906 249022650 /nfs/dbraw/zinc/02/26/50/249022650.db2.gz NOMYBASSJXMJCR-PWSUYJOCSA-N 2 2 267.333 0.993 20 5 CCBDLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000430665906 249022653 /nfs/dbraw/zinc/02/26/53/249022653.db2.gz NOMYBASSJXMJCR-PWSUYJOCSA-N 2 2 267.333 0.993 20 5 CCBDLP O=[N+]([O-])c1cnn(CC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000567401951 390697752 /nfs/dbraw/zinc/69/77/52/390697752.db2.gz CJDMBHCZXMTOBM-UHFFFAOYSA-N 2 2 291.315 0.337 20 5 CCBDLP CC[N@H+](CCO)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000184539385 521117476 /nfs/dbraw/zinc/11/74/76/521117476.db2.gz RWKHPNVEQJZTQH-UHFFFAOYSA-N 2 2 267.329 0.999 20 5 CCBDLP CC[N@@H+](CCO)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000184539385 521117481 /nfs/dbraw/zinc/11/74/81/521117481.db2.gz RWKHPNVEQJZTQH-UHFFFAOYSA-N 2 2 267.329 0.999 20 5 CCBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000749684391 582016806 /nfs/dbraw/zinc/01/68/06/582016806.db2.gz BUPSKJNGLKSXHM-SGMGOOAPSA-N 2 2 277.324 0.779 20 5 CCBDLP CC1(C)CC[NH2+]CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000866699060 614550750 /nfs/dbraw/zinc/55/07/50/614550750.db2.gz GZFHRRFIDDUKMG-UHFFFAOYSA-N 2 2 267.333 0.865 20 5 CCBDLP CC1(C)CC[NH2+]CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000866699060 614550755 /nfs/dbraw/zinc/55/07/55/614550755.db2.gz GZFHRRFIDDUKMG-UHFFFAOYSA-N 2 2 267.333 0.865 20 5 CCBDLP C[N@@H+]1CC[C@H]2C[NH+](CCn3ccc([N+](=O)[O-])n3)CC[C@H]21 ZINC000879571554 616444210 /nfs/dbraw/zinc/44/42/10/616444210.db2.gz BSDFNUVGHQVNTB-NWDGAFQWSA-N 2 2 279.344 0.817 20 5 CCBDLP C[N@H+]1CC[C@H]2C[NH+](CCn3ccc([N+](=O)[O-])n3)CC[C@H]21 ZINC000879571554 616444213 /nfs/dbraw/zinc/44/42/13/616444213.db2.gz BSDFNUVGHQVNTB-NWDGAFQWSA-N 2 2 279.344 0.817 20 5 CCBDLP C[NH+]1CC[C@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CC[C@H]21 ZINC000879571554 616444217 /nfs/dbraw/zinc/44/42/17/616444217.db2.gz BSDFNUVGHQVNTB-NWDGAFQWSA-N 2 2 279.344 0.817 20 5 CCBDLP C[NH+]1CC[C@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)CC[C@H]21 ZINC000879571554 616444221 /nfs/dbraw/zinc/44/42/21/616444221.db2.gz BSDFNUVGHQVNTB-NWDGAFQWSA-N 2 2 279.344 0.817 20 5 CCBDLP O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)n1 ZINC000903471501 634573706 /nfs/dbraw/zinc/57/37/06/634573706.db2.gz SNZLMYBVIUZOIA-SNVBAGLBSA-N 2 2 265.317 0.666 20 5 CCBDLP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000903858807 634668177 /nfs/dbraw/zinc/66/81/77/634668177.db2.gz ZQVMWQBAXOWPSL-JQWIXIFHSA-N 2 2 265.317 0.605 20 5 CCBDLP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000903858807 634668183 /nfs/dbraw/zinc/66/81/83/634668183.db2.gz ZQVMWQBAXOWPSL-JQWIXIFHSA-N 2 2 265.317 0.605 20 5 CCBDLP CC(C)OCC[NH+]1CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC000905147192 634810127 /nfs/dbraw/zinc/81/01/27/634810127.db2.gz QREAYPXXVYUNMY-UHFFFAOYSA-N 2 2 259.350 0.742 20 5 CCBDLP Cc1nc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)ncc1[N+](=O)[O-] ZINC001160521251 801960209 /nfs/dbraw/zinc/96/02/09/801960209.db2.gz WXEWHTDHUIWYTG-CYBMUJFWSA-N 2 2 292.343 0.528 20 5 CCBDLP COc1ccc([N+](=O)[O-])c(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001168735702 818539350 /nfs/dbraw/zinc/53/93/50/818539350.db2.gz DQHKTWVUNMLZIQ-UHFFFAOYSA-N 2 2 294.315 0.592 20 5 CCBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc([N+](=O)[O-])cn1 ZINC001169067051 836123051 /nfs/dbraw/zinc/12/30/51/836123051.db2.gz MNNNNBUSMBHKII-MRVPVSSYSA-N 2 2 263.257 0.038 20 5 CCBDLP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000602838092 362828002 /nfs/dbraw/zinc/82/80/02/362828002.db2.gz PQXMCZQQIIRTCW-UHFFFAOYSA-N 2 2 276.300 0.812 20 5 CCBDLP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCn2c[nH+]cc2C1 ZINC000602838092 362828007 /nfs/dbraw/zinc/82/80/07/362828007.db2.gz PQXMCZQQIIRTCW-UHFFFAOYSA-N 2 2 276.300 0.812 20 5 CCBDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000225327855 352001803 /nfs/dbraw/zinc/00/18/03/352001803.db2.gz XPNRQSXXRYHKQG-AWEZNQCLSA-N 2 2 278.356 0.930 20 5 CCBDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000225327855 352001810 /nfs/dbraw/zinc/00/18/10/352001810.db2.gz XPNRQSXXRYHKQG-AWEZNQCLSA-N 2 2 278.356 0.930 20 5 CCBDLP O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)n1 ZINC000428032310 235390844 /nfs/dbraw/zinc/39/08/44/235390844.db2.gz JOUUQEWBSLUWOQ-MNOVXSKESA-N 2 2 265.317 0.475 20 5 CCBDLP O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)n1 ZINC000428032310 235390845 /nfs/dbraw/zinc/39/08/45/235390845.db2.gz JOUUQEWBSLUWOQ-MNOVXSKESA-N 2 2 265.317 0.475 20 5 CCBDLP C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](C[NH3+])C1CC1 ZINC000359909472 356918212 /nfs/dbraw/zinc/91/82/12/356918212.db2.gz INRMCWHQZXSXDL-SNVBAGLBSA-N 2 2 253.306 0.460 20 5 CCBDLP C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](C[NH3+])C1CC1 ZINC000359909472 356918215 /nfs/dbraw/zinc/91/82/15/356918215.db2.gz INRMCWHQZXSXDL-SNVBAGLBSA-N 2 2 253.306 0.460 20 5 CCBDLP C[N@H+](CCN1CC[NH2+]CC1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593725162 360141652 /nfs/dbraw/zinc/14/16/52/360141652.db2.gz GATCGJOMFCBXOW-UHFFFAOYSA-N 2 2 294.355 0.637 20 5 CCBDLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593725162 360141657 /nfs/dbraw/zinc/14/16/57/360141657.db2.gz GATCGJOMFCBXOW-UHFFFAOYSA-N 2 2 294.355 0.637 20 5 CCBDLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000430668825 296023760 /nfs/dbraw/zinc/02/37/60/296023760.db2.gz SBGLWZYBRDNZRM-MNOVXSKESA-N 2 2 267.333 0.993 20 5 CCBDLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000430668825 296023762 /nfs/dbraw/zinc/02/37/62/296023762.db2.gz SBGLWZYBRDNZRM-MNOVXSKESA-N 2 2 267.333 0.993 20 5 CCBDLP O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)c1 ZINC000415096431 389658399 /nfs/dbraw/zinc/65/83/99/389658399.db2.gz PVNLQIVJLMQOHD-LBPRGKRZSA-N 2 2 251.286 0.673 20 5 CCBDLP O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2C[NH2+]CCO2)cs1 ZINC000415096463 389658767 /nfs/dbraw/zinc/65/87/67/389658767.db2.gz QAILUMFEWWYHPZ-VIFPVBQESA-N 2 2 257.315 0.734 20 5 CCBDLP C[C@H]([NH3+])C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000442664299 389854445 /nfs/dbraw/zinc/85/44/45/389854445.db2.gz WDRZWOIWVFBPSB-VHSXEESVSA-N 2 2 265.317 0.823 20 5 CCBDLP C[C@H]([NH3+])C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000442664299 389854448 /nfs/dbraw/zinc/85/44/48/389854448.db2.gz WDRZWOIWVFBPSB-VHSXEESVSA-N 2 2 265.317 0.823 20 5 CCBDLP C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H](O)C[NH3+] ZINC000310935185 536468605 /nfs/dbraw/zinc/46/86/05/536468605.db2.gz IGGLVZGXQNUSHK-JTQLQIEISA-N 2 2 273.720 1.000 20 5 CCBDLP C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H](O)C[NH3+] ZINC000310935185 536468607 /nfs/dbraw/zinc/46/86/07/536468607.db2.gz IGGLVZGXQNUSHK-JTQLQIEISA-N 2 2 273.720 1.000 20 5 CCBDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000855345728 644307030 /nfs/dbraw/zinc/30/70/30/644307030.db2.gz HHTAHRXCZGPKQF-QJPTWQEYSA-N 2 2 286.376 0.040 20 5 CCBDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000855345728 644307034 /nfs/dbraw/zinc/30/70/34/644307034.db2.gz HHTAHRXCZGPKQF-QJPTWQEYSA-N 2 2 286.376 0.040 20 5 CCBDLP Nc1cc([N+](=O)[O-])cnc1NCC[NH+]1CCC([NH3+])CC1 ZINC001161870083 802235609 /nfs/dbraw/zinc/23/56/09/802235609.db2.gz FYWOSIMIYQVOLL-UHFFFAOYSA-N 2 2 280.332 0.407 20 5 CCBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC001262235614 809254390 /nfs/dbraw/zinc/25/43/90/809254390.db2.gz JAPCBGXTSYTUFM-LLVKDONJSA-N 2 2 252.318 0.951 20 5 CCBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC001262235614 809254394 /nfs/dbraw/zinc/25/43/94/809254394.db2.gz JAPCBGXTSYTUFM-LLVKDONJSA-N 2 2 252.318 0.951 20 5 CCBDLP NC(=O)c1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000107855785 349741523 /nfs/dbraw/zinc/74/15/23/349741523.db2.gz RVKGXURQXDCFRY-VXGBXAGGSA-N 2 2 290.323 0.345 20 5 CCBDLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000228723005 352083102 /nfs/dbraw/zinc/08/31/02/352083102.db2.gz OLEIUFBEMOZPOK-CYBMUJFWSA-N 2 2 267.329 0.997 20 5 CCBDLP C[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1C[NH3+] ZINC000430599129 389811517 /nfs/dbraw/zinc/81/15/17/389811517.db2.gz VDFUMOBYHKYFNV-ZYHUDNBSSA-N 2 2 267.333 0.851 20 5 CCBDLP C[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1C[NH3+] ZINC000430599129 389811519 /nfs/dbraw/zinc/81/15/19/389811519.db2.gz VDFUMOBYHKYFNV-ZYHUDNBSSA-N 2 2 267.333 0.851 20 5 CCBDLP [NH3+]C[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000430637640 389815077 /nfs/dbraw/zinc/81/50/77/389815077.db2.gz DBKGAVMMBYKXLH-SNVBAGLBSA-N 2 2 253.306 0.605 20 5 CCBDLP [NH3+]C[C@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000430637640 389815081 /nfs/dbraw/zinc/81/50/81/389815081.db2.gz DBKGAVMMBYKXLH-SNVBAGLBSA-N 2 2 253.306 0.605 20 5 CCBDLP C[NH+](C)C[C@](C)(O)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001262571589 809349246 /nfs/dbraw/zinc/34/92/46/809349246.db2.gz YQUTUIYXRAGHER-UONOGXRCSA-N 2 2 297.355 0.530 20 5 CCBDLP [NH3+][C@H]1C[NH2+]C[C@@H]1c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001211757717 812688237 /nfs/dbraw/zinc/68/82/37/812688237.db2.gz NAKFSMFHFJVPAR-BQBZGAKWSA-N 2 2 294.246 0.193 20 5 CCBDLP Cc1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cc1[N+](=O)[O-] ZINC001169075118 836128771 /nfs/dbraw/zinc/12/87/71/836128771.db2.gz VSTBRXNIKOLWAK-SECBINFHSA-N 2 2 277.284 0.346 20 5 CCBDLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]Cc2csc([N+](=O)[O-])c2)n1 ZINC000600774449 362059307 /nfs/dbraw/zinc/05/93/07/362059307.db2.gz KMXFZROJZDBWSD-UHFFFAOYSA-N 2 2 295.324 0.900 20 5 CCBDLP C[NH+](C)C1CC[NH+](CCNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000273589110 192218364 /nfs/dbraw/zinc/21/83/64/192218364.db2.gz HALDRIGEQFYVHC-UHFFFAOYSA-N 2 2 294.359 0.823 20 5 CCBDLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000569823778 358796616 /nfs/dbraw/zinc/79/66/16/358796616.db2.gz AIOAXQJDLJHVFD-STQMWFEESA-N 2 2 290.323 0.339 20 5 CCBDLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000569823778 358796620 /nfs/dbraw/zinc/79/66/20/358796620.db2.gz AIOAXQJDLJHVFD-STQMWFEESA-N 2 2 290.323 0.339 20 5 CCBDLP C[N@H+](CCC[NH3+])[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000592473918 359850156 /nfs/dbraw/zinc/85/01/56/359850156.db2.gz VCKVWOIJICOQRT-CYBMUJFWSA-N 2 2 292.339 0.981 20 5 CCBDLP C[N@@H+](CCC[NH3+])[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000592473918 359850161 /nfs/dbraw/zinc/85/01/61/359850161.db2.gz VCKVWOIJICOQRT-CYBMUJFWSA-N 2 2 292.339 0.981 20 5 CCBDLP COCC[NH2+]C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000563269271 291211034 /nfs/dbraw/zinc/21/10/34/291211034.db2.gz MNQIIBZCMUEHID-UHFFFAOYSA-N 2 2 297.359 0.492 20 5 CCBDLP [NH3+]CC[N@H+](CCO)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420316801 389982786 /nfs/dbraw/zinc/98/27/86/389982786.db2.gz YNJIKSYWVMWPBS-UHFFFAOYSA-N 2 2 296.327 0.176 20 5 CCBDLP [NH3+]CC[N@@H+](CCO)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420316801 389982788 /nfs/dbraw/zinc/98/27/88/389982788.db2.gz YNJIKSYWVMWPBS-UHFFFAOYSA-N 2 2 296.327 0.176 20 5 CCBDLP O=[N+]([O-])c1ccn(CC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)n1 ZINC000566017772 390568931 /nfs/dbraw/zinc/56/89/31/390568931.db2.gz KQHWFTWDIMGKJB-UHFFFAOYSA-N 2 2 291.315 0.337 20 5 CCBDLP C[NH2+]CCC[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000127216405 277022115 /nfs/dbraw/zinc/02/21/15/277022115.db2.gz HRELIZWZYPDUFO-UHFFFAOYSA-N 2 2 280.328 0.735 20 5 CCBDLP C[NH2+]CCC[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000127216405 277022116 /nfs/dbraw/zinc/02/21/16/277022116.db2.gz HRELIZWZYPDUFO-UHFFFAOYSA-N 2 2 280.328 0.735 20 5 CCBDLP C[NH+](C)C1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000304310396 282052190 /nfs/dbraw/zinc/05/21/90/282052190.db2.gz KGOCQBSEFOEWQJ-CYBMUJFWSA-N 2 2 297.359 0.178 20 5 CCBDLP O=[N+]([O-])CC[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000905173883 634819146 /nfs/dbraw/zinc/81/91/46/634819146.db2.gz HYCQSCSMMPSQPO-NWDGAFQWSA-N 2 2 257.334 0.231 20 5 CCBDLP [NH3+][C@@H]1C[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@H]1O ZINC001246558918 807288378 /nfs/dbraw/zinc/28/83/78/807288378.db2.gz RRTMHALIFUZUBO-BPLDGKMQSA-N 2 2 291.351 0.846 20 5 CCBDLP [NH3+][C@@H]1C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@H]1O ZINC001246558918 807288381 /nfs/dbraw/zinc/28/83/81/807288381.db2.gz RRTMHALIFUZUBO-BPLDGKMQSA-N 2 2 291.351 0.846 20 5 CCBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1c(Cl)cncc1[N+](=O)[O-] ZINC001169075095 836128743 /nfs/dbraw/zinc/12/87/43/836128743.db2.gz UUIMVKMMPSKYNX-SSDOTTSWSA-N 2 2 297.702 0.691 20 5 CCBDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000049235068 348446024 /nfs/dbraw/zinc/44/60/24/348446024.db2.gz PLQJPEYJXXAMDK-JQWIXIFHSA-N 2 2 294.315 0.027 20 5 CCBDLP C[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000124350318 350096308 /nfs/dbraw/zinc/09/63/08/350096308.db2.gz VYBZQLTZNXZFEF-GFCCVEGCSA-N 2 2 293.327 0.701 20 5 CCBDLP C[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000124350318 350096313 /nfs/dbraw/zinc/09/63/13/350096313.db2.gz VYBZQLTZNXZFEF-GFCCVEGCSA-N 2 2 293.327 0.701 20 5 CCBDLP C[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](C[NH3+])C1 ZINC000420331702 358179220 /nfs/dbraw/zinc/17/92/20/358179220.db2.gz IWVNSAQLXJDWJP-WDEREUQCSA-N 2 2 267.333 0.851 20 5 CCBDLP C[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](C[NH3+])C1 ZINC000420331702 358179224 /nfs/dbraw/zinc/17/92/24/358179224.db2.gz IWVNSAQLXJDWJP-WDEREUQCSA-N 2 2 267.333 0.851 20 5 CCBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000597989873 361297960 /nfs/dbraw/zinc/29/79/60/361297960.db2.gz LFNVTMNVKUCPMD-UHFFFAOYSA-N 2 2 298.343 0.801 20 5 CCBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000597989873 361297964 /nfs/dbraw/zinc/29/79/64/361297964.db2.gz LFNVTMNVKUCPMD-UHFFFAOYSA-N 2 2 298.343 0.801 20 5 CCBDLP C[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H](C[NH3+])C1 ZINC000420331701 389984478 /nfs/dbraw/zinc/98/44/78/389984478.db2.gz IWVNSAQLXJDWJP-QWRGUYRKSA-N 2 2 267.333 0.851 20 5 CCBDLP C[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@H](C[NH3+])C1 ZINC000420331701 389984479 /nfs/dbraw/zinc/98/44/79/389984479.db2.gz IWVNSAQLXJDWJP-QWRGUYRKSA-N 2 2 267.333 0.851 20 5 CCBDLP C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](C[NH3+])C1 ZINC000420335655 389985334 /nfs/dbraw/zinc/98/53/34/389985334.db2.gz LVHQOKZMBNPHMA-GHMZBOCLSA-N 2 2 267.333 0.851 20 5 CCBDLP C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](C[NH3+])C1 ZINC000420335655 389985336 /nfs/dbraw/zinc/98/53/36/389985336.db2.gz LVHQOKZMBNPHMA-GHMZBOCLSA-N 2 2 267.333 0.851 20 5 CCBDLP C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](C[NH3+])C1 ZINC000420335661 389985408 /nfs/dbraw/zinc/98/54/08/389985408.db2.gz LVHQOKZMBNPHMA-WDEREUQCSA-N 2 2 267.333 0.851 20 5 CCBDLP C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](C[NH3+])C1 ZINC000420335661 389985409 /nfs/dbraw/zinc/98/54/09/389985409.db2.gz LVHQOKZMBNPHMA-WDEREUQCSA-N 2 2 267.333 0.851 20 5 CCBDLP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000071145235 176041831 /nfs/dbraw/zinc/04/18/31/176041831.db2.gz QDJQVYQVNHPGQT-SNVBAGLBSA-N 2 2 292.339 0.735 20 5 CCBDLP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000071145235 176041832 /nfs/dbraw/zinc/04/18/32/176041832.db2.gz QDJQVYQVNHPGQT-SNVBAGLBSA-N 2 2 292.339 0.735 20 5 CCBDLP Cc1ccc(C[N@H+](C)C[C@H](O)C[NH3+])cc1[N+](=O)[O-] ZINC000415055540 533876479 /nfs/dbraw/zinc/87/64/79/533876479.db2.gz NGYZNJWWFLMPBM-LLVKDONJSA-N 2 2 253.302 0.655 20 5 CCBDLP Cc1ccc(C[N@@H+](C)C[C@H](O)C[NH3+])cc1[N+](=O)[O-] ZINC000415055540 533876486 /nfs/dbraw/zinc/87/64/86/533876486.db2.gz NGYZNJWWFLMPBM-LLVKDONJSA-N 2 2 253.302 0.655 20 5 CCBDLP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000903858809 634668446 /nfs/dbraw/zinc/66/84/46/634668446.db2.gz ZQVMWQBAXOWPSL-ZYHUDNBSSA-N 2 2 265.317 0.605 20 5 CCBDLP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000903858809 634668451 /nfs/dbraw/zinc/66/84/51/634668451.db2.gz ZQVMWQBAXOWPSL-ZYHUDNBSSA-N 2 2 265.317 0.605 20 5 CCBDLP Cc1cc([N+](=O)[O-])cnc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001157910501 801516962 /nfs/dbraw/zinc/51/69/62/801516962.db2.gz IENOQPOSUHQBKA-UHFFFAOYSA-N 2 2 278.316 0.892 20 5 CCBDLP [NH3+][C@@H]1COC[C@H]1[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254574589 808260787 /nfs/dbraw/zinc/26/07/87/808260787.db2.gz JAAPKODGBSUDHS-RAIGVLPGSA-N 2 2 263.297 0.378 20 5 CCBDLP Cn1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)c([N+](=O)[O-])n1 ZINC000603427678 363126856 /nfs/dbraw/zinc/12/68/56/363126856.db2.gz CZBKRCPWUJXSAL-RKDXNWHRSA-N 2 2 253.306 0.544 20 5 CCBDLP C[N@@H+]1CC[C@]2(CC[NH+](CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000366445530 357208875 /nfs/dbraw/zinc/20/88/75/357208875.db2.gz XLPBJZTYWZLLED-ZDUSSCGKSA-N 2 2 279.344 0.819 20 5 CCBDLP C[N@H+]1CC[C@]2(CC[NH+](CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000366445530 357208879 /nfs/dbraw/zinc/20/88/79/357208879.db2.gz XLPBJZTYWZLLED-ZDUSSCGKSA-N 2 2 279.344 0.819 20 5 CCBDLP C[NH+]1CC[C@]2(CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000366445530 357208882 /nfs/dbraw/zinc/20/88/82/357208882.db2.gz XLPBJZTYWZLLED-ZDUSSCGKSA-N 2 2 279.344 0.819 20 5 CCBDLP C[NH+]1CC[C@]2(CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000366445530 357208896 /nfs/dbraw/zinc/20/88/96/357208896.db2.gz XLPBJZTYWZLLED-ZDUSSCGKSA-N 2 2 279.344 0.819 20 5 CCBDLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000414961019 389648041 /nfs/dbraw/zinc/64/80/41/389648041.db2.gz HTJNNLNJONKEGY-CYBMUJFWSA-N 2 2 264.329 0.588 20 5 CCBDLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000351859677 389701144 /nfs/dbraw/zinc/70/11/44/389701144.db2.gz GPLCKCGOEADHLZ-DTWKUNHWSA-N 2 2 253.306 0.497 20 5 CCBDLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000351859677 389701146 /nfs/dbraw/zinc/70/11/46/389701146.db2.gz GPLCKCGOEADHLZ-DTWKUNHWSA-N 2 2 253.306 0.497 20 5 CCBDLP CN(C(=O)C[N@H+](C)C1CC([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000420342931 389986665 /nfs/dbraw/zinc/98/66/65/389986665.db2.gz WCWLYNHEEYCVGV-UHFFFAOYSA-N 2 2 292.339 0.979 20 5 CCBDLP CN(C(=O)C[N@@H+](C)C1CC([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000420342931 389986667 /nfs/dbraw/zinc/98/66/67/389986667.db2.gz WCWLYNHEEYCVGV-UHFFFAOYSA-N 2 2 292.339 0.979 20 5 CCBDLP O=[N+]([O-])CC[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000905023244 634787496 /nfs/dbraw/zinc/78/74/96/634787496.db2.gz GLNZHJRKYXUKCU-UHFFFAOYSA-N 2 2 279.340 0.885 20 5 CCBDLP Cc1[nH+]ccn1-c1ncccc1C[NH2+]CC[N+](=O)[O-] ZINC000905063321 634795044 /nfs/dbraw/zinc/79/50/44/634795044.db2.gz YCJZKUJMQFIIQW-UHFFFAOYSA-N 2 2 261.285 0.942 20 5 CCBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncc([N+](=O)[O-])cc1Cl ZINC001158203275 801591746 /nfs/dbraw/zinc/59/17/46/801591746.db2.gz HNOZBSYUUAKDDC-SSDOTTSWSA-N 2 2 297.702 0.691 20 5 CCBDLP C[NH+](C)C1(CNc2ncc([N+](=O)[O-])cn2)CC[NH+](C)CC1 ZINC001164206752 802687457 /nfs/dbraw/zinc/68/74/57/802687457.db2.gz BGSMHCBKESJNKL-UHFFFAOYSA-N 2 2 294.359 0.823 20 5 CCBDLP Cn1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c([N+](=O)[O-])n1 ZINC000602675232 362743180 /nfs/dbraw/zinc/74/31/80/362743180.db2.gz ZUNNLUNSOFFBSW-CYBMUJFWSA-N 2 2 279.344 0.856 20 5 CCBDLP Cn1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c([N+](=O)[O-])n1 ZINC000602675232 362743182 /nfs/dbraw/zinc/74/31/82/362743182.db2.gz ZUNNLUNSOFFBSW-CYBMUJFWSA-N 2 2 279.344 0.856 20 5 CCBDLP Cn1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])n1 ZINC000602675232 362743185 /nfs/dbraw/zinc/74/31/85/362743185.db2.gz ZUNNLUNSOFFBSW-CYBMUJFWSA-N 2 2 279.344 0.856 20 5 CCBDLP Cn1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c([N+](=O)[O-])n1 ZINC000602675232 362743188 /nfs/dbraw/zinc/74/31/88/362743188.db2.gz ZUNNLUNSOFFBSW-CYBMUJFWSA-N 2 2 279.344 0.856 20 5 CCBDLP [NH3+]CC[N@H+](CCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000342440646 137094129 /nfs/dbraw/zinc/09/41/29/137094129.db2.gz XGACVSXQYDLXBG-UHFFFAOYSA-N 2 2 269.301 0.227 20 5 CCBDLP [NH3+]CC[N@@H+](CCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000342440646 137094130 /nfs/dbraw/zinc/09/41/30/137094130.db2.gz XGACVSXQYDLXBG-UHFFFAOYSA-N 2 2 269.301 0.227 20 5 CCBDLP Cn1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])n1 ZINC000603427690 363127019 /nfs/dbraw/zinc/12/70/19/363127019.db2.gz DHABTWIIXLNTKG-ONGXEEELSA-N 2 2 265.317 0.512 20 5 CCBDLP Cn1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])n1 ZINC000603427690 363127022 /nfs/dbraw/zinc/12/70/22/363127022.db2.gz DHABTWIIXLNTKG-ONGXEEELSA-N 2 2 265.317 0.512 20 5 CCBDLP C[C@@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000603428662 363127727 /nfs/dbraw/zinc/12/77/27/363127727.db2.gz LAXPENCGVDJHAW-NXEZZACHSA-N 2 2 267.333 0.745 20 5 CCBDLP C[C@@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000603428662 363127731 /nfs/dbraw/zinc/12/77/31/363127731.db2.gz LAXPENCGVDJHAW-NXEZZACHSA-N 2 2 267.333 0.745 20 5 CCBDLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000603430626 363129757 /nfs/dbraw/zinc/12/97/57/363129757.db2.gz UHRAONYSROFUKC-NSHDSACASA-N 2 2 255.322 0.791 20 5 CCBDLP Cn1cc[nH+]c1[C@H](NC1C[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000591577044 359600987 /nfs/dbraw/zinc/60/09/87/359600987.db2.gz SMSSSIXFINWNOZ-CYBMUJFWSA-N 2 2 287.323 0.979 20 5 CCBDLP C[NH2+]C[C@@](C)(O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000563271057 291211222 /nfs/dbraw/zinc/21/12/22/291211222.db2.gz JRKNWNPLWULXNB-CYBMUJFWSA-N 2 2 267.329 0.997 20 5 CCBDLP C[NH2+]C[C@@](C)(O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000563271057 291211224 /nfs/dbraw/zinc/21/12/24/291211224.db2.gz JRKNWNPLWULXNB-CYBMUJFWSA-N 2 2 267.329 0.997 20 5 CCBDLP COc1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000593907985 360205616 /nfs/dbraw/zinc/20/56/16/360205616.db2.gz XUDDKMKQSVIGGQ-SNVBAGLBSA-N 2 2 296.327 0.821 20 5 CCBDLP O=[N+]([O-])c1cnn(CC[N@@H+]2CCn3c[nH+]cc3C2)c1 ZINC000595494617 360549576 /nfs/dbraw/zinc/54/95/76/360549576.db2.gz LCFLMVBFUNQAQM-UHFFFAOYSA-N 2 2 262.273 0.504 20 5 CCBDLP O=[N+]([O-])c1cnn(CC[N@H+]2CCn3c[nH+]cc3C2)c1 ZINC000595494617 360549581 /nfs/dbraw/zinc/54/95/81/360549581.db2.gz LCFLMVBFUNQAQM-UHFFFAOYSA-N 2 2 262.273 0.504 20 5 CCBDLP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000598683358 361481620 /nfs/dbraw/zinc/48/16/20/361481620.db2.gz RXHFQXUZEGKRHI-CMPLNLGQSA-N 2 2 265.317 0.605 20 5 CCBDLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000598683358 361481624 /nfs/dbraw/zinc/48/16/24/361481624.db2.gz RXHFQXUZEGKRHI-CMPLNLGQSA-N 2 2 265.317 0.605 20 5 CCBDLP [NH3+][C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430636786 389814798 /nfs/dbraw/zinc/81/47/98/389814798.db2.gz ZPTWNBBXZYQHTA-JTQLQIEISA-N 2 2 278.312 0.956 20 5 CCBDLP [NH3+][C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430636786 389814800 /nfs/dbraw/zinc/81/48/00/389814800.db2.gz ZPTWNBBXZYQHTA-JTQLQIEISA-N 2 2 278.312 0.956 20 5 CCBDLP O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000903470923 634571916 /nfs/dbraw/zinc/57/19/16/634571916.db2.gz PSXBMQZAULRHSQ-LLVKDONJSA-N 2 2 265.317 0.666 20 5 CCBDLP O=[N+]([O-])CC[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000905176954 634820265 /nfs/dbraw/zinc/82/02/65/634820265.db2.gz UROFVWFUFYPDSC-QWHCGFSZSA-N 2 2 271.361 0.621 20 5 CCBDLP Cc1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c([N+](=O)[O-])c1 ZINC001158204354 801593001 /nfs/dbraw/zinc/59/30/01/801593001.db2.gz XXQFZOYNRCUFND-SECBINFHSA-N 2 2 277.284 0.346 20 5 CCBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[NH2+]C[C@@H]1CO ZINC001246304776 807215528 /nfs/dbraw/zinc/21/55/28/807215528.db2.gz IDKDIYNPFJVVAD-QKCSRTOESA-N 2 2 279.340 0.696 20 5 CCBDLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000068803542 348822444 /nfs/dbraw/zinc/82/24/44/348822444.db2.gz RFDJLYJLTCSUKZ-CQSZACIVSA-N 2 2 278.356 0.930 20 5 CCBDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000068803542 348822448 /nfs/dbraw/zinc/82/24/48/348822448.db2.gz RFDJLYJLTCSUKZ-CQSZACIVSA-N 2 2 278.356 0.930 20 5 CCBDLP Cn1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])n1 ZINC000603431450 363129882 /nfs/dbraw/zinc/12/98/82/363129882.db2.gz XPJOQXSPLIAYQV-CYBMUJFWSA-N 2 2 279.344 0.904 20 5 CCBDLP Cn1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])n1 ZINC000603431450 363129893 /nfs/dbraw/zinc/12/98/93/363129893.db2.gz XPJOQXSPLIAYQV-CYBMUJFWSA-N 2 2 279.344 0.904 20 5 CCBDLP Cn1cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])c([N+](=O)[O-])n1 ZINC000603431306 363130011 /nfs/dbraw/zinc/13/00/11/363130011.db2.gz VTTUTIVQKXNDRN-NXEZZACHSA-N 2 2 253.306 0.688 20 5 CCBDLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000430583546 235513825 /nfs/dbraw/zinc/51/38/25/235513825.db2.gz MXMAMIIBNLWZTC-ZJUUUORDSA-N 2 2 267.333 0.888 20 5 CCBDLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000430583546 235513827 /nfs/dbraw/zinc/51/38/27/235513827.db2.gz MXMAMIIBNLWZTC-ZJUUUORDSA-N 2 2 267.333 0.888 20 5 CCBDLP O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000592477485 359850722 /nfs/dbraw/zinc/85/07/22/359850722.db2.gz XVYTUDGXOXFDLM-GFCCVEGCSA-N 2 2 291.355 0.721 20 5 CCBDLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000430668827 249022714 /nfs/dbraw/zinc/02/27/14/249022714.db2.gz SBGLWZYBRDNZRM-QWRGUYRKSA-N 2 2 267.333 0.993 20 5 CCBDLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000430668827 249022717 /nfs/dbraw/zinc/02/27/17/249022717.db2.gz SBGLWZYBRDNZRM-QWRGUYRKSA-N 2 2 267.333 0.993 20 5 CCBDLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788595417 581117721 /nfs/dbraw/zinc/11/77/21/581117721.db2.gz SXHGBNBMHLXHNN-ONGXEEELSA-N 2 2 282.344 0.750 20 5 CCBDLP C[NH+]1CCN(C[C@H]([NH2+]CC[N+](=O)[O-])c2ccccc2)CC1 ZINC000905090496 616243714 /nfs/dbraw/zinc/24/37/14/616243714.db2.gz WMYQGCSHELRXQZ-HNNXBMFYSA-N 2 2 292.383 0.841 20 5 CCBDLP O=[N+]([O-])CC[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000905129203 634804756 /nfs/dbraw/zinc/80/47/56/634804756.db2.gz XOFDUHWJOFVDAE-NSHDSACASA-N 2 2 257.334 0.354 20 5 CCBDLP Cc1nc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)ncc1[N+](=O)[O-] ZINC001160521252 801960983 /nfs/dbraw/zinc/96/09/83/801960983.db2.gz WXEWHTDHUIWYTG-ZDUSSCGKSA-N 2 2 292.343 0.528 20 5 CCBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246493036 807265294 /nfs/dbraw/zinc/26/52/94/807265294.db2.gz XLDZPJKUZFUTEB-YPMHNXCESA-N 2 2 278.356 0.677 20 5 CCBDLP C[NH+]1CCC(CO)([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169009360 836097342 /nfs/dbraw/zinc/09/73/42/836097342.db2.gz VUNMTUQTBDDUBI-VXGBXAGGSA-N 2 2 271.361 0.478 20 5 CCBDLP Cc1c(F)cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1[N+](=O)[O-] ZINC001169071818 836126046 /nfs/dbraw/zinc/12/60/46/836126046.db2.gz MXGDVXLGZGOXBO-MRVPVSSYSA-N 2 2 295.274 0.485 20 5 CCBDLP O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000601334966 362231928 /nfs/dbraw/zinc/23/19/28/362231928.db2.gz PFLWZYIXZOFYHO-AAEUAGOBSA-N 2 2 279.344 0.865 20 5 CCBDLP O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000601334966 362231933 /nfs/dbraw/zinc/23/19/33/362231933.db2.gz PFLWZYIXZOFYHO-AAEUAGOBSA-N 2 2 279.344 0.865 20 5 CCBDLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000037668626 348198567 /nfs/dbraw/zinc/19/85/67/348198567.db2.gz SLEQLTAOGBWDKO-UHFFFAOYSA-N 2 2 292.339 0.458 20 5 CCBDLP C[N@H+](CCN1CC[NH2+]CC1)Cc1csc([N+](=O)[O-])c1 ZINC000071149018 348904671 /nfs/dbraw/zinc/90/46/71/348904671.db2.gz CVWPDBWJDMCNGK-UHFFFAOYSA-N 2 2 284.385 0.993 20 5 CCBDLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1csc([N+](=O)[O-])c1 ZINC000071149018 348904676 /nfs/dbraw/zinc/90/46/76/348904676.db2.gz CVWPDBWJDMCNGK-UHFFFAOYSA-N 2 2 284.385 0.993 20 5 CCBDLP C[C@@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000603427146 363127368 /nfs/dbraw/zinc/12/73/68/363127368.db2.gz BUESIVMCQZRMTQ-PSASIEDQSA-N 2 2 253.306 0.497 20 5 CCBDLP C[C@@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000603427146 363127370 /nfs/dbraw/zinc/12/73/70/363127370.db2.gz BUESIVMCQZRMTQ-PSASIEDQSA-N 2 2 253.306 0.497 20 5 CCBDLP C[C@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000603427149 363127666 /nfs/dbraw/zinc/12/76/66/363127666.db2.gz BUESIVMCQZRMTQ-WCBMZHEXSA-N 2 2 253.306 0.497 20 5 CCBDLP C[C@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000603427149 363127669 /nfs/dbraw/zinc/12/76/69/363127669.db2.gz BUESIVMCQZRMTQ-WCBMZHEXSA-N 2 2 253.306 0.497 20 5 CCBDLP C[C@@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000603429019 363128413 /nfs/dbraw/zinc/12/84/13/363128413.db2.gz LAXPENCGVDJHAW-ZJUUUORDSA-N 2 2 267.333 0.745 20 5 CCBDLP C[C@@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000603429019 363128418 /nfs/dbraw/zinc/12/84/18/363128418.db2.gz LAXPENCGVDJHAW-ZJUUUORDSA-N 2 2 267.333 0.745 20 5 CCBDLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000593909160 360205606 /nfs/dbraw/zinc/20/56/06/360205606.db2.gz HOYHNDFFPWTCBT-LLVKDONJSA-N 2 2 292.339 0.763 20 5 CCBDLP C[NH2+]CCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000564989232 291332331 /nfs/dbraw/zinc/33/23/31/291332331.db2.gz WGGMFTPFPZABBP-UHFFFAOYSA-N 2 2 279.344 0.721 20 5 CCBDLP COCC[NH2+]CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000414879837 389642327 /nfs/dbraw/zinc/64/23/27/389642327.db2.gz IIMROZKIFRIVKU-UHFFFAOYSA-N 2 2 253.302 0.920 20 5 CCBDLP Cc1ccc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000567048645 390668021 /nfs/dbraw/zinc/66/80/21/390668021.db2.gz KVAKKKOEMFYEJE-ZDUSSCGKSA-N 2 2 278.356 0.978 20 5 CCBDLP Cc1ccc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000567048645 390668027 /nfs/dbraw/zinc/66/80/27/390668027.db2.gz KVAKKKOEMFYEJE-ZDUSSCGKSA-N 2 2 278.356 0.978 20 5 CCBDLP CC1(C)CC[NH2+]CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000866699433 614550801 /nfs/dbraw/zinc/55/08/01/614550801.db2.gz PCRRGYIYZDBXLO-UHFFFAOYSA-N 2 2 267.333 0.865 20 5 CCBDLP CC1(C)CC[NH2+]CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000866699433 614550805 /nfs/dbraw/zinc/55/08/05/614550805.db2.gz PCRRGYIYZDBXLO-UHFFFAOYSA-N 2 2 267.333 0.865 20 5 CCBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cccc([N+](=O)[O-])n1 ZINC001158204253 801592949 /nfs/dbraw/zinc/59/29/49/801592949.db2.gz PGFCOJJWEHBIDD-MRVPVSSYSA-N 2 2 263.257 0.038 20 5 CCBDLP CC[C@]([NH3+])(CO)Nc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001159744288 839565638 /nfs/dbraw/zinc/56/56/38/839565638.db2.gz PLFIVWRXLZKYBM-URWSZGRFSA-N 2 2 295.343 0.991 20 5 CCBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000311793097 137075689 /nfs/dbraw/zinc/07/56/89/137075689.db2.gz AOTNQVSQUGTXFR-NSHDSACASA-N 2 2 269.301 0.355 20 5 CCBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000311793097 137075690 /nfs/dbraw/zinc/07/56/90/137075690.db2.gz AOTNQVSQUGTXFR-NSHDSACASA-N 2 2 269.301 0.355 20 5 CCBDLP CC[C@@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000603429679 363128169 /nfs/dbraw/zinc/12/81/69/363128169.db2.gz OSWLFULEKNIYKF-KOLCDFICSA-N 2 2 267.333 0.888 20 5 CCBDLP CC[C@@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000603429679 363128172 /nfs/dbraw/zinc/12/81/72/363128172.db2.gz OSWLFULEKNIYKF-KOLCDFICSA-N 2 2 267.333 0.888 20 5 CCBDLP C[NH+](C)C1CC[NH+](CCNc2ccncc2[N+](=O)[O-])CC1 ZINC000360984297 138017547 /nfs/dbraw/zinc/01/75/47/138017547.db2.gz IXUXXPVAZULAMK-UHFFFAOYSA-N 2 2 293.371 0.850 20 5 CCBDLP [NH3+]C[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000430616232 389813188 /nfs/dbraw/zinc/81/31/88/389813188.db2.gz FRRQLCRHBKKZEX-SNVBAGLBSA-N 2 2 253.306 0.605 20 5 CCBDLP [NH3+]C[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000430616232 389813191 /nfs/dbraw/zinc/81/31/91/389813191.db2.gz FRRQLCRHBKKZEX-SNVBAGLBSA-N 2 2 253.306 0.605 20 5 CCBDLP CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CC[NH2+]C1 ZINC000430933553 389836898 /nfs/dbraw/zinc/83/68/98/389836898.db2.gz IRUNJWXZUPAHGB-NSHDSACASA-N 2 2 267.333 0.865 20 5 CCBDLP CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CC[NH2+]C1 ZINC000430933553 389836899 /nfs/dbraw/zinc/83/68/99/389836899.db2.gz IRUNJWXZUPAHGB-NSHDSACASA-N 2 2 267.333 0.865 20 5 CCBDLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000038030960 174024081 /nfs/dbraw/zinc/02/40/81/174024081.db2.gz XKFPVAQRCOZVDW-UHFFFAOYSA-N 2 2 292.339 0.458 20 5 CCBDLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000038030960 174024082 /nfs/dbraw/zinc/02/40/82/174024082.db2.gz XKFPVAQRCOZVDW-UHFFFAOYSA-N 2 2 292.339 0.458 20 5 CCBDLP C[NH+]1CCN(C(=O)CC2CC[NH+](CC[N+](=O)[O-])CC2)CC1 ZINC000929974154 616221484 /nfs/dbraw/zinc/22/14/84/616221484.db2.gz VWAIUUQGSVQPAZ-UHFFFAOYSA-N 2 2 298.387 0.139 20 5 CCBDLP C[NH+]1CCN(C(=[NH2+])Nc2ncnc(Cl)c2[N+](=O)[O-])CC1 ZINC001168736514 818546562 /nfs/dbraw/zinc/54/65/62/818546562.db2.gz MXQCYUHLHSVIPN-UHFFFAOYSA-N 2 2 299.722 0.632 20 5 CCBDLP Cc1c(C[N@H+](C)C[C@@H](O)C[NH3+])cccc1[N+](=O)[O-] ZINC000310975726 137073410 /nfs/dbraw/zinc/07/34/10/137073410.db2.gz QFZBOBZOGZSDCC-NSHDSACASA-N 2 2 253.302 0.655 20 5 CCBDLP Cc1c(C[N@@H+](C)C[C@@H](O)C[NH3+])cccc1[N+](=O)[O-] ZINC000310975726 137073411 /nfs/dbraw/zinc/07/34/11/137073411.db2.gz QFZBOBZOGZSDCC-NSHDSACASA-N 2 2 253.302 0.655 20 5 CCBDLP C[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000122521436 350065586 /nfs/dbraw/zinc/06/55/86/350065586.db2.gz PBKZFZKGADYRNX-CYBMUJFWSA-N 2 2 264.329 0.670 20 5 CCBDLP C[N@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000122521436 350065589 /nfs/dbraw/zinc/06/55/89/350065589.db2.gz PBKZFZKGADYRNX-CYBMUJFWSA-N 2 2 264.329 0.670 20 5 CCBDLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000228722997 352083180 /nfs/dbraw/zinc/08/31/80/352083180.db2.gz OLEIUFBEMOZPOK-ZDUSSCGKSA-N 2 2 267.329 0.997 20 5 CCBDLP Cn1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])n1 ZINC000603427688 363127414 /nfs/dbraw/zinc/12/74/14/363127414.db2.gz DHABTWIIXLNTKG-KOLCDFICSA-N 2 2 265.317 0.512 20 5 CCBDLP Cn1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])n1 ZINC000603427688 363127417 /nfs/dbraw/zinc/12/74/17/363127417.db2.gz DHABTWIIXLNTKG-KOLCDFICSA-N 2 2 265.317 0.512 20 5 CCBDLP C[N@@H+]1CC[C@@]2(CC[NH+](CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000366445529 357209483 /nfs/dbraw/zinc/20/94/83/357209483.db2.gz XLPBJZTYWZLLED-CYBMUJFWSA-N 2 2 279.344 0.819 20 5 CCBDLP C[N@H+]1CC[C@@]2(CC[NH+](CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000366445529 357209486 /nfs/dbraw/zinc/20/94/86/357209486.db2.gz XLPBJZTYWZLLED-CYBMUJFWSA-N 2 2 279.344 0.819 20 5 CCBDLP C[NH+]1CC[C@@]2(CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000366445529 357209488 /nfs/dbraw/zinc/20/94/88/357209488.db2.gz XLPBJZTYWZLLED-CYBMUJFWSA-N 2 2 279.344 0.819 20 5 CCBDLP C[NH+]1CC[C@@]2(CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000366445529 357209489 /nfs/dbraw/zinc/20/94/89/357209489.db2.gz XLPBJZTYWZLLED-CYBMUJFWSA-N 2 2 279.344 0.819 20 5 CCBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351496005 389595062 /nfs/dbraw/zinc/59/50/62/389595062.db2.gz QTVNHWPJOVMOSH-IVZWLZJFSA-N 2 2 265.317 0.497 20 5 CCBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351496005 389595066 /nfs/dbraw/zinc/59/50/66/389595066.db2.gz QTVNHWPJOVMOSH-IVZWLZJFSA-N 2 2 265.317 0.497 20 5 CCBDLP Cc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000415096398 389657898 /nfs/dbraw/zinc/65/78/98/389657898.db2.gz PRGZXFUGGLOQBS-LBPRGKRZSA-N 2 2 265.313 0.981 20 5 CCBDLP O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2C[NH2+]CCO2)c1 ZINC000415096430 389658133 /nfs/dbraw/zinc/65/81/33/389658133.db2.gz PVNLQIVJLMQOHD-GFCCVEGCSA-N 2 2 251.286 0.673 20 5 CCBDLP CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[NH2+]C1 ZINC000430936934 389836553 /nfs/dbraw/zinc/83/65/53/389836553.db2.gz XZBMWDKHJLUMEC-LLVKDONJSA-N 2 2 267.333 0.865 20 5 CCBDLP CCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[NH2+]C1 ZINC000430936934 389836556 /nfs/dbraw/zinc/83/65/56/389836556.db2.gz XZBMWDKHJLUMEC-LLVKDONJSA-N 2 2 267.333 0.865 20 5 CCBDLP O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000903470924 634572128 /nfs/dbraw/zinc/57/21/28/634572128.db2.gz PSXBMQZAULRHSQ-NSHDSACASA-N 2 2 265.317 0.666 20 5 CCBDLP C[NH+]1CCN(C(=[NH2+])Nc2cccc([N+](=O)[O-])n2)CC1 ZINC001157915161 801520725 /nfs/dbraw/zinc/52/07/25/801520725.db2.gz RYPOQLSFXSCXTA-UHFFFAOYSA-N 2 2 264.289 0.584 20 5 CCBDLP Cc1c([N+](=O)[O-])cc[n+]([O-])c1NCC[NH+]1CCC([NH3+])CC1 ZINC001161867855 802234454 /nfs/dbraw/zinc/23/44/54/802234454.db2.gz SBEMVHNNFNAVJG-UHFFFAOYSA-N 2 2 295.343 0.372 20 5 CCBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246493030 807265304 /nfs/dbraw/zinc/26/53/04/807265304.db2.gz XLDZPJKUZFUTEB-DGCLKSJQSA-N 2 2 278.356 0.677 20 5 CCBDLP C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2[nH+]ccn2c1 ZINC001233748656 816398265 /nfs/dbraw/zinc/39/82/65/816398265.db2.gz KZWSCBCSSLRUJS-LLVKDONJSA-N 2 2 278.332 0.697 20 5 CCBDLP O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)n1 ZINC000601333164 362229940 /nfs/dbraw/zinc/22/99/40/362229940.db2.gz BQGYXENBIOPGLF-NEPJUHHUSA-N 2 2 279.344 0.865 20 5 CCBDLP O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)n1 ZINC000601333164 362229950 /nfs/dbraw/zinc/22/99/50/362229950.db2.gz BQGYXENBIOPGLF-NEPJUHHUSA-N 2 2 279.344 0.865 20 5 CCBDLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000049235069 348446040 /nfs/dbraw/zinc/44/60/40/348446040.db2.gz PLQJPEYJXXAMDK-PWSUYJOCSA-N 2 2 294.315 0.027 20 5 CCBDLP COC(=O)COc1ccc(C[NH2+][C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000414941709 389646732 /nfs/dbraw/zinc/64/67/32/389646732.db2.gz JENIXGPSOYGOCP-VIFPVBQESA-N 2 2 297.311 0.583 20 5 CCBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420348973 389987882 /nfs/dbraw/zinc/98/78/82/389987882.db2.gz BJFFSICMEVVVRV-SKDRFNHKSA-N 2 2 296.327 0.173 20 5 CCBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420348973 389987883 /nfs/dbraw/zinc/98/78/83/389987883.db2.gz BJFFSICMEVVVRV-SKDRFNHKSA-N 2 2 296.327 0.173 20 5 CCBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420358870 389991563 /nfs/dbraw/zinc/99/15/63/389991563.db2.gz VBZPVHDTWZHTBX-UWVGGRQHSA-N 2 2 253.302 0.907 20 5 CCBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420358870 389991564 /nfs/dbraw/zinc/99/15/64/389991564.db2.gz VBZPVHDTWZHTBX-UWVGGRQHSA-N 2 2 253.302 0.907 20 5 CCBDLP C[N@@H+]1CC[C@@H]2C[NH+](CCn3ccc([N+](=O)[O-])n3)CC[C@H]21 ZINC000879571556 616334799 /nfs/dbraw/zinc/33/47/99/616334799.db2.gz BSDFNUVGHQVNTB-VXGBXAGGSA-N 2 2 279.344 0.817 20 5 CCBDLP C[N@H+]1CC[C@@H]2C[NH+](CCn3ccc([N+](=O)[O-])n3)CC[C@H]21 ZINC000879571556 616334801 /nfs/dbraw/zinc/33/48/01/616334801.db2.gz BSDFNUVGHQVNTB-VXGBXAGGSA-N 2 2 279.344 0.817 20 5 CCBDLP C[NH+]1CC[C@@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CC[C@H]21 ZINC000879571556 616334803 /nfs/dbraw/zinc/33/48/03/616334803.db2.gz BSDFNUVGHQVNTB-VXGBXAGGSA-N 2 2 279.344 0.817 20 5 CCBDLP C[NH+]1CC[C@@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)CC[C@H]21 ZINC000879571556 616334807 /nfs/dbraw/zinc/33/48/07/616334807.db2.gz BSDFNUVGHQVNTB-VXGBXAGGSA-N 2 2 279.344 0.817 20 5 CCBDLP NC(=O)c1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000050248818 624804147 /nfs/dbraw/zinc/80/41/47/624804147.db2.gz ATRPZDNSYJDPSH-VIFPVBQESA-N 2 2 278.312 0.474 20 5 CCBDLP NC(=O)c1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000050248818 624804149 /nfs/dbraw/zinc/80/41/49/624804149.db2.gz ATRPZDNSYJDPSH-VIFPVBQESA-N 2 2 278.312 0.474 20 5 CCBDLP C[NH+]1CCN(C(=[NH2+])Nc2cc([N+](=O)[O-])ccn2)CC1 ZINC001157910988 801517239 /nfs/dbraw/zinc/51/72/39/801517239.db2.gz VQRMKWZSTVPDHS-UHFFFAOYSA-N 2 2 264.289 0.584 20 5 CCBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246559305 807288061 /nfs/dbraw/zinc/28/80/61/807288061.db2.gz OCNYMVLGEUZCTQ-ZKYQVNSYSA-N 2 2 279.340 0.920 20 5 CCBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246559305 807288066 /nfs/dbraw/zinc/28/80/66/807288066.db2.gz OCNYMVLGEUZCTQ-ZKYQVNSYSA-N 2 2 279.340 0.920 20 5 CCBDLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000051634398 348491592 /nfs/dbraw/zinc/49/15/92/348491592.db2.gz AHZSGXXUOAKECG-UHFFFAOYSA-N 2 2 292.339 0.458 20 5 CCBDLP C[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000124295077 350094457 /nfs/dbraw/zinc/09/44/57/350094457.db2.gz RWFMMTFRZGVADN-ZDUSSCGKSA-N 2 2 292.339 0.239 20 5 CCBDLP C[N@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000124295077 350094459 /nfs/dbraw/zinc/09/44/59/350094459.db2.gz RWFMMTFRZGVADN-ZDUSSCGKSA-N 2 2 292.339 0.239 20 5 CCBDLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000430665905 249022617 /nfs/dbraw/zinc/02/26/17/249022617.db2.gz NOMYBASSJXMJCR-JQWIXIFHSA-N 2 2 267.333 0.993 20 5 CCBDLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000430665905 249022620 /nfs/dbraw/zinc/02/26/20/249022620.db2.gz NOMYBASSJXMJCR-JQWIXIFHSA-N 2 2 267.333 0.993 20 5 CCBDLP C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1(C[NH3+])CCC1 ZINC000420330213 389983933 /nfs/dbraw/zinc/98/39/33/389983933.db2.gz PQFUUXHSVGMMPK-UHFFFAOYSA-N 2 2 253.306 0.605 20 5 CCBDLP C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1(C[NH3+])CCC1 ZINC000420330213 389983934 /nfs/dbraw/zinc/98/39/34/389983934.db2.gz PQFUUXHSVGMMPK-UHFFFAOYSA-N 2 2 253.306 0.605 20 5 CCBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420362440 389991904 /nfs/dbraw/zinc/99/19/04/389991904.db2.gz YZKGOMFBTZSGGF-CABZTGNLSA-N 2 2 296.327 0.173 20 5 CCBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420362440 389991906 /nfs/dbraw/zinc/99/19/06/389991906.db2.gz YZKGOMFBTZSGGF-CABZTGNLSA-N 2 2 296.327 0.173 20 5 CCBDLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815616483 641116893 /nfs/dbraw/zinc/11/68/93/641116893.db2.gz PONBMAWXZUYBBY-IINYFYTJSA-N 2 2 294.355 0.894 20 5 CCBDLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815616483 641116894 /nfs/dbraw/zinc/11/68/94/641116894.db2.gz PONBMAWXZUYBBY-IINYFYTJSA-N 2 2 294.355 0.894 20 5 CCBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncc(Cl)cc1[N+](=O)[O-] ZINC001158203935 801592755 /nfs/dbraw/zinc/59/27/55/801592755.db2.gz TVLDLVPBBCBBMU-MRVPVSSYSA-N 2 2 297.702 0.691 20 5 CCBDLP Cc1ncc([N+](=O)[O-])c(NCC[NH+]2CCC([NH3+])CC2)n1 ZINC001161866980 818497311 /nfs/dbraw/zinc/49/73/11/818497311.db2.gz AACTXSDIDOCJAU-UHFFFAOYSA-N 2 2 280.332 0.528 20 5 CCBDLP [NH3+]CC[N@H+](CCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000342428189 137093845 /nfs/dbraw/zinc/09/38/45/137093845.db2.gz WHNHPEHPYMPCMK-UHFFFAOYSA-N 2 2 269.301 0.227 20 5 CCBDLP [NH3+]CC[N@@H+](CCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000342428189 137093846 /nfs/dbraw/zinc/09/38/46/137093846.db2.gz WHNHPEHPYMPCMK-UHFFFAOYSA-N 2 2 269.301 0.227 20 5 CCBDLP C[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251626521 352510979 /nfs/dbraw/zinc/51/09/79/352510979.db2.gz FFLJROQGTLYGPI-JOYOIKCWSA-N 2 2 292.339 0.863 20 5 CCBDLP C[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251626521 352510981 /nfs/dbraw/zinc/51/09/81/352510981.db2.gz FFLJROQGTLYGPI-JOYOIKCWSA-N 2 2 292.339 0.863 20 5 CCBDLP C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C[NH3+])C1CC1 ZINC000359875311 356913993 /nfs/dbraw/zinc/91/39/93/356913993.db2.gz KKHDLTOCWNMTCP-NSHDSACASA-N 2 2 253.306 0.460 20 5 CCBDLP C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C[NH3+])C1CC1 ZINC000359875311 356913998 /nfs/dbraw/zinc/91/39/98/356913998.db2.gz KKHDLTOCWNMTCP-NSHDSACASA-N 2 2 253.306 0.460 20 5 CCBDLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000598681514 361480852 /nfs/dbraw/zinc/48/08/52/361480852.db2.gz GMCLXYVEUPPSKM-ZYHUDNBSSA-N 2 2 265.317 0.605 20 5 CCBDLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000598681514 361480856 /nfs/dbraw/zinc/48/08/56/361480856.db2.gz GMCLXYVEUPPSKM-ZYHUDNBSSA-N 2 2 265.317 0.605 20 5 CCBDLP Cc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000566230548 291379960 /nfs/dbraw/zinc/37/99/60/291379960.db2.gz VLNBROHHTXHYSN-AWEZNQCLSA-N 2 2 278.356 0.978 20 5 CCBDLP Cc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000566230548 291379962 /nfs/dbraw/zinc/37/99/62/291379962.db2.gz VLNBROHHTXHYSN-AWEZNQCLSA-N 2 2 278.356 0.978 20 5 CCBDLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccccc1[N+](=O)[O-] ZINC000038030962 388850402 /nfs/dbraw/zinc/85/04/02/388850402.db2.gz VUSREYJXBDZTHV-UHFFFAOYSA-N 2 2 292.339 0.458 20 5 CCBDLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccccc1[N+](=O)[O-] ZINC000038030962 388850404 /nfs/dbraw/zinc/85/04/04/388850404.db2.gz VUSREYJXBDZTHV-UHFFFAOYSA-N 2 2 292.339 0.458 20 5 CCBDLP Cc1ccc(C[NH2+]C[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000415096396 389658613 /nfs/dbraw/zinc/65/86/13/389658613.db2.gz PRGZXFUGGLOQBS-GFCCVEGCSA-N 2 2 265.313 0.981 20 5 CCBDLP CN(C(=O)C[N@@H+]1CC[C@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000430954609 389840210 /nfs/dbraw/zinc/84/02/10/389840210.db2.gz XEAIZOYJFLVTDQ-LLVKDONJSA-N 2 2 292.339 0.838 20 5 CCBDLP CN(C(=O)C[N@H+]1CC[C@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000430954609 389840217 /nfs/dbraw/zinc/84/02/17/389840217.db2.gz XEAIZOYJFLVTDQ-LLVKDONJSA-N 2 2 292.339 0.838 20 5 CCBDLP O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000749684389 582017209 /nfs/dbraw/zinc/01/72/09/582017209.db2.gz BUPSKJNGLKSXHM-SCRDCRAPSA-N 2 2 277.324 0.779 20 5 CCBDLP O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000749684389 582017210 /nfs/dbraw/zinc/01/72/10/582017210.db2.gz BUPSKJNGLKSXHM-SCRDCRAPSA-N 2 2 277.324 0.779 20 5 CCBDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC[N+](=O)[O-] ZINC000930059552 615980546 /nfs/dbraw/zinc/98/05/46/615980546.db2.gz DWDZUEFTVLVTFV-IJLUTSLNSA-N 2 2 257.334 0.447 20 5 CCBDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC[N+](=O)[O-] ZINC000930059552 615980547 /nfs/dbraw/zinc/98/05/47/615980547.db2.gz DWDZUEFTVLVTFV-IJLUTSLNSA-N 2 2 257.334 0.447 20 5 CCBDLP Cc1noc(C[NH+]2CCC(O)(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000931479895 648994738 /nfs/dbraw/zinc/99/47/38/648994738.db2.gz FYBUDGUVVPKGFQ-UHFFFAOYSA-N 2 2 298.343 0.780 20 5 CCBDLP C[NH+]1CCC(CO)([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169009358 836098201 /nfs/dbraw/zinc/09/82/01/836098201.db2.gz VUNMTUQTBDDUBI-RYUDHWBXSA-N 2 2 271.361 0.478 20 5 CCBDLP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000261602322 137011792 /nfs/dbraw/zinc/01/17/92/137011792.db2.gz BYQZOXPMGZRWQG-AWEZNQCLSA-N 2 2 292.339 0.864 20 5 CCBDLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000261602322 137011793 /nfs/dbraw/zinc/01/17/93/137011793.db2.gz BYQZOXPMGZRWQG-AWEZNQCLSA-N 2 2 292.339 0.864 20 5 CCBDLP COc1ccc(CN2CC[N@H+](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000124440596 350098863 /nfs/dbraw/zinc/09/88/63/350098863.db2.gz GQAUAWASQYBRJL-GFCCVEGCSA-N 2 2 294.355 0.678 20 5 CCBDLP COc1ccc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000124440596 350098866 /nfs/dbraw/zinc/09/88/66/350098866.db2.gz GQAUAWASQYBRJL-GFCCVEGCSA-N 2 2 294.355 0.678 20 5 CCBDLP Cn1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)c([N+](=O)[O-])n1 ZINC000603427676 363127402 /nfs/dbraw/zinc/12/74/02/363127402.db2.gz CZBKRCPWUJXSAL-IUCAKERBSA-N 2 2 253.306 0.544 20 5 CCBDLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000603430125 363128574 /nfs/dbraw/zinc/12/85/74/363128574.db2.gz SVMUMQZWVCANDU-VHSXEESVSA-N 2 2 267.333 0.888 20 5 CCBDLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000603430125 363128579 /nfs/dbraw/zinc/12/85/79/363128579.db2.gz SVMUMQZWVCANDU-VHSXEESVSA-N 2 2 267.333 0.888 20 5 CCBDLP CN(C(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000430954610 389840490 /nfs/dbraw/zinc/84/04/90/389840490.db2.gz XEAIZOYJFLVTDQ-NSHDSACASA-N 2 2 292.339 0.838 20 5 CCBDLP CN(C(=O)C[N@H+]1CC[C@@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000430954610 389840493 /nfs/dbraw/zinc/84/04/93/389840493.db2.gz XEAIZOYJFLVTDQ-NSHDSACASA-N 2 2 292.339 0.838 20 5 CCBDLP C[C@H]([NH3+])C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000442664298 389854310 /nfs/dbraw/zinc/85/43/10/389854310.db2.gz WDRZWOIWVFBPSB-UWVGGRQHSA-N 2 2 265.317 0.823 20 5 CCBDLP C[C@H]([NH3+])C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000442664298 389854312 /nfs/dbraw/zinc/85/43/12/389854312.db2.gz WDRZWOIWVFBPSB-UWVGGRQHSA-N 2 2 265.317 0.823 20 5 CCBDLP COc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000358165220 533669637 /nfs/dbraw/zinc/66/96/37/533669637.db2.gz KYBQTPWFNITZGJ-AWEZNQCLSA-N 2 2 295.339 0.760 20 5 CCBDLP COc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000358165220 533669645 /nfs/dbraw/zinc/66/96/45/533669645.db2.gz KYBQTPWFNITZGJ-AWEZNQCLSA-N 2 2 295.339 0.760 20 5 CCBDLP CCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CC[NH2+]C1 ZINC000923285583 614585266 /nfs/dbraw/zinc/58/52/66/614585266.db2.gz HZKPKJDBKYBVKX-YPMHNXCESA-N 2 2 297.359 0.226 20 5 CCBDLP CCC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CC[NH2+]C1 ZINC000923285583 614585268 /nfs/dbraw/zinc/58/52/68/614585268.db2.gz HZKPKJDBKYBVKX-YPMHNXCESA-N 2 2 297.359 0.226 20 5 CCBDLP C[NH+]1CCN(C(=[NH2+])Nc2nc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001157910563 801517099 /nfs/dbraw/zinc/51/70/99/801517099.db2.gz KYMIGCRMYHJDOE-UHFFFAOYSA-N 2 2 299.722 0.632 20 5 CCBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC001262235615 809254757 /nfs/dbraw/zinc/25/47/57/809254757.db2.gz JAPCBGXTSYTUFM-NSHDSACASA-N 2 2 252.318 0.951 20 5 CCBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC001262235615 809254764 /nfs/dbraw/zinc/25/47/64/809254764.db2.gz JAPCBGXTSYTUFM-NSHDSACASA-N 2 2 252.318 0.951 20 5 CCBDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[N+](=O)[O-])[C@H](C)C1 ZINC001336048303 920580127 /nfs/dbraw/zinc/58/01/27/920580127.db2.gz WOACTVMIEWJFDT-OLZOCXBDSA-N 2 2 273.377 0.990 20 5 CCBDLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[N+](=O)[O-])[C@H](C)C1 ZINC001336048303 920580135 /nfs/dbraw/zinc/58/01/35/920580135.db2.gz WOACTVMIEWJFDT-OLZOCXBDSA-N 2 2 273.377 0.990 20 5 CCBDLP Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424340224 389623886 /nfs/dbraw/zinc/62/38/86/389623886.db2.gz XIEJJKIYMBCAQS-RKDXNWHRSA-N 2 2 253.306 0.688 20 5 CCBDLP Cc1ccc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000567048644 390667890 /nfs/dbraw/zinc/66/78/90/390667890.db2.gz KVAKKKOEMFYEJE-CYBMUJFWSA-N 2 2 278.356 0.978 20 5 CCBDLP Cc1ccc(CN2CC[N@H+](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000567048644 390667894 /nfs/dbraw/zinc/66/78/94/390667894.db2.gz KVAKKKOEMFYEJE-CYBMUJFWSA-N 2 2 278.356 0.978 20 5 CCBDLP CC[N@H+](CCO)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000184537611 276132592 /nfs/dbraw/zinc/13/25/92/276132592.db2.gz RQTWXELEGMAXNR-UHFFFAOYSA-N 2 2 267.329 0.999 20 5 CCBDLP CC[N@@H+](CCO)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000184537611 276132594 /nfs/dbraw/zinc/13/25/94/276132594.db2.gz RQTWXELEGMAXNR-UHFFFAOYSA-N 2 2 267.329 0.999 20 5 CCBDLP C[N@H+](CC[NH3+])CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000842478726 616084568 /nfs/dbraw/zinc/08/45/68/616084568.db2.gz JMADEVBNCPOGOJ-UHFFFAOYSA-N 2 2 284.291 0.953 20 5 CCBDLP C[N@@H+](CC[NH3+])CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000842478726 616084570 /nfs/dbraw/zinc/08/45/70/616084570.db2.gz JMADEVBNCPOGOJ-UHFFFAOYSA-N 2 2 284.291 0.953 20 5 CCBDLP C[C@H]1C[N@H+](CC[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000931685026 649016791 /nfs/dbraw/zinc/01/67/91/649016791.db2.gz XOLFMYNEDZQPQA-NSHDSACASA-N 2 2 250.302 0.869 20 5 CCBDLP C[C@H]1C[N@@H+](CC[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000931685026 649016795 /nfs/dbraw/zinc/01/67/95/649016795.db2.gz XOLFMYNEDZQPQA-NSHDSACASA-N 2 2 250.302 0.869 20 5 CCBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc(Cl)ncc1[N+](=O)[O-] ZINC001158204226 801593160 /nfs/dbraw/zinc/59/31/60/801593160.db2.gz OAQYNHPXOSBLQC-SSDOTTSWSA-N 2 2 297.702 0.691 20 5 CCBDLP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001246143470 807166426 /nfs/dbraw/zinc/16/64/26/807166426.db2.gz KMNCLWQSNFPVNL-MGPQQGTHSA-N 3 2 296.415 0.896 20 5 CCBDLP C[NH+](C)C[C@@](C)(O)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001262571587 809349375 /nfs/dbraw/zinc/34/93/75/809349375.db2.gz YQUTUIYXRAGHER-KBPBESRZSA-N 2 2 297.355 0.530 20 5 CCBDLP Cn1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)c([N+](=O)[O-])n1 ZINC000603431765 363130254 /nfs/dbraw/zinc/13/02/54/363130254.db2.gz YSRQDDLKIITDEA-NSHDSACASA-N 2 2 253.306 0.499 20 5 CCBDLP Cn1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c([N+](=O)[O-])n1 ZINC000603431765 363130260 /nfs/dbraw/zinc/13/02/60/363130260.db2.gz YSRQDDLKIITDEA-NSHDSACASA-N 2 2 253.306 0.499 20 5 CCBDLP C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H](O)C[NH3+] ZINC000310935186 389100141 /nfs/dbraw/zinc/10/01/41/389100141.db2.gz IGGLVZGXQNUSHK-SNVBAGLBSA-N 2 2 273.720 1.000 20 5 CCBDLP C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H](O)C[NH3+] ZINC000310935186 389100143 /nfs/dbraw/zinc/10/01/43/389100143.db2.gz IGGLVZGXQNUSHK-SNVBAGLBSA-N 2 2 273.720 1.000 20 5 CCBDLP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000414966222 389648878 /nfs/dbraw/zinc/64/88/78/389648878.db2.gz OFXLOQVESAEKHC-LBPRGKRZSA-N 2 2 294.355 0.597 20 5 CCBDLP [NH3+]C[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000430616228 389812937 /nfs/dbraw/zinc/81/29/37/389812937.db2.gz FRRQLCRHBKKZEX-JTQLQIEISA-N 2 2 253.306 0.605 20 5 CCBDLP [NH3+]C[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000430616228 389812939 /nfs/dbraw/zinc/81/29/39/389812939.db2.gz FRRQLCRHBKKZEX-JTQLQIEISA-N 2 2 253.306 0.605 20 5 CCBDLP C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CC[NH+](CCO)CC1 ZINC000357917564 144133329 /nfs/dbraw/zinc/13/33/29/144133329.db2.gz SAADUUAJNCEJTM-UHFFFAOYSA-N 2 2 297.359 0.180 20 5 CCBDLP C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CC[NH+](CCO)CC1 ZINC000357917564 144133330 /nfs/dbraw/zinc/13/33/30/144133330.db2.gz SAADUUAJNCEJTM-UHFFFAOYSA-N 2 2 297.359 0.180 20 5 CCBDLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000038030961 174023809 /nfs/dbraw/zinc/02/38/09/174023809.db2.gz XOQXXJVBTGUZCX-UHFFFAOYSA-N 2 2 292.339 0.458 20 5 CCBDLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000038030961 174023811 /nfs/dbraw/zinc/02/38/11/174023811.db2.gz XOQXXJVBTGUZCX-UHFFFAOYSA-N 2 2 292.339 0.458 20 5 CCBDLP C[NH+]1CCN(c2cc(C[NH2+]CC[N+](=O)[O-])ccn2)CC1 ZINC000905051165 616246944 /nfs/dbraw/zinc/24/69/44/616246944.db2.gz TUXJNKHGEQKTTK-UHFFFAOYSA-N 2 2 279.344 0.200 20 5 CCBDLP C[N@@H+]1C[C@@H]2C[NH+](CCn3cc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000933736249 616382754 /nfs/dbraw/zinc/38/27/54/616382754.db2.gz VADXOIUTGPLVIT-YPMHNXCESA-N 2 2 279.344 0.675 20 5 CCBDLP C[N@H+]1C[C@@H]2C[NH+](CCn3cc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000933736249 616382757 /nfs/dbraw/zinc/38/27/57/616382757.db2.gz VADXOIUTGPLVIT-YPMHNXCESA-N 2 2 279.344 0.675 20 5 CCBDLP C[NH+]1C[C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000933736249 616382761 /nfs/dbraw/zinc/38/27/61/616382761.db2.gz VADXOIUTGPLVIT-YPMHNXCESA-N 2 2 279.344 0.675 20 5 CCBDLP C[NH+]1C[C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000933736249 616382764 /nfs/dbraw/zinc/38/27/64/616382764.db2.gz VADXOIUTGPLVIT-YPMHNXCESA-N 2 2 279.344 0.675 20 5 CCBDLP C[NH2+]CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000923432911 616958412 /nfs/dbraw/zinc/95/84/12/616958412.db2.gz KYNCLQXJPYKYRH-GFCCVEGCSA-N 2 2 285.348 0.082 20 5 CCBDLP C[NH2+]CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000923432911 616958415 /nfs/dbraw/zinc/95/84/15/616958415.db2.gz KYNCLQXJPYKYRH-GFCCVEGCSA-N 2 2 285.348 0.082 20 5 CCBDLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CC[N+](=O)[O-] ZINC000931764725 649027205 /nfs/dbraw/zinc/02/72/05/649027205.db2.gz SKSDWHAPFSHGQM-LLVKDONJSA-N 2 2 250.302 0.869 20 5 CCBDLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC[N+](=O)[O-] ZINC000931764725 649027209 /nfs/dbraw/zinc/02/72/09/649027209.db2.gz SKSDWHAPFSHGQM-LLVKDONJSA-N 2 2 250.302 0.869 20 5 CCBDLP COc1nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ccc1[N+](=O)[O-] ZINC001158204254 801593277 /nfs/dbraw/zinc/59/32/77/801593277.db2.gz PGZFZHBYBMDQMC-MRVPVSSYSA-N 2 2 293.283 0.046 20 5 CCBDLP C[C@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000603428663 363127004 /nfs/dbraw/zinc/12/70/04/363127004.db2.gz LAXPENCGVDJHAW-UWVGGRQHSA-N 2 2 267.333 0.745 20 5 CCBDLP C[C@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000603428663 363127009 /nfs/dbraw/zinc/12/70/09/363127009.db2.gz LAXPENCGVDJHAW-UWVGGRQHSA-N 2 2 267.333 0.745 20 5 CCBDLP Cn1cc(C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)c([N+](=O)[O-])n1 ZINC000603427674 363127314 /nfs/dbraw/zinc/12/73/14/363127314.db2.gz CZBKRCPWUJXSAL-BDAKNGLRSA-N 2 2 253.306 0.544 20 5 CCBDLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000603429709 363128650 /nfs/dbraw/zinc/12/86/50/363128650.db2.gz PMQLFAFYDQLTJK-VIFPVBQESA-N 2 2 253.306 0.370 20 5 CCBDLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000603429709 363128654 /nfs/dbraw/zinc/12/86/54/363128654.db2.gz PMQLFAFYDQLTJK-VIFPVBQESA-N 2 2 253.306 0.370 20 5 CCBDLP Cn1cnc([N+](=O)[O-])c1NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000610510525 363570946 /nfs/dbraw/zinc/57/09/46/363570946.db2.gz PCUDCYAETFLXDC-UHFFFAOYSA-N 2 2 296.375 0.766 20 5 CCBDLP C[N@H+](CCC[NH3+])CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000592473569 359850167 /nfs/dbraw/zinc/85/01/67/359850167.db2.gz BKBMSKIDJUBLKA-UHFFFAOYSA-N 2 2 292.339 0.765 20 5 CCBDLP C[N@@H+](CCC[NH3+])CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000592473569 359850170 /nfs/dbraw/zinc/85/01/70/359850170.db2.gz BKBMSKIDJUBLKA-UHFFFAOYSA-N 2 2 292.339 0.765 20 5 CCBDLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000593725613 360141830 /nfs/dbraw/zinc/14/18/30/360141830.db2.gz SOBIOJJVEXWRGP-CQSZACIVSA-N 2 2 279.340 0.923 20 5 CCBDLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000593725613 360141840 /nfs/dbraw/zinc/14/18/40/360141840.db2.gz SOBIOJJVEXWRGP-CQSZACIVSA-N 2 2 279.340 0.923 20 5 CCBDLP Cc1c(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000593907923 360205124 /nfs/dbraw/zinc/20/51/24/360205124.db2.gz VXYNWJQATUEARV-LBPRGKRZSA-N 2 2 294.355 0.798 20 5 CCBDLP CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593901957 360201586 /nfs/dbraw/zinc/20/15/86/360201586.db2.gz KYPRAYIYGBQMAH-GFCCVEGCSA-N 2 2 294.355 0.832 20 5 CCBDLP O=[N+]([O-])c1cnn(CC[NH+]2CCC3(CC[NH2+]3)CC2)c1 ZINC000566300436 291391874 /nfs/dbraw/zinc/39/18/74/291391874.db2.gz LAGJFBXCSOVLHC-UHFFFAOYSA-N 2 2 265.317 0.619 20 5 CCBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420362445 389991912 /nfs/dbraw/zinc/99/19/12/389991912.db2.gz YZKGOMFBTZSGGF-SKDRFNHKSA-N 2 2 296.327 0.173 20 5 CCBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420362445 389991913 /nfs/dbraw/zinc/99/19/13/389991913.db2.gz YZKGOMFBTZSGGF-SKDRFNHKSA-N 2 2 296.327 0.173 20 5 CCBDLP CN1CC[N@H+](C)C[C@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000068804697 348822771 /nfs/dbraw/zinc/82/27/71/348822771.db2.gz ZHHBSODOUBMTLI-OAHLLOKOSA-N 2 2 292.383 0.973 20 5 CCBDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000068804697 348822773 /nfs/dbraw/zinc/82/27/73/348822773.db2.gz ZHHBSODOUBMTLI-OAHLLOKOSA-N 2 2 292.383 0.973 20 5 CCBDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000225335442 352002482 /nfs/dbraw/zinc/00/24/82/352002482.db2.gz ZHHBSODOUBMTLI-HNNXBMFYSA-N 2 2 292.383 0.973 20 5 CCBDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000225335442 352002486 /nfs/dbraw/zinc/00/24/86/352002486.db2.gz ZHHBSODOUBMTLI-HNNXBMFYSA-N 2 2 292.383 0.973 20 5 CCBDLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000593908540 360205095 /nfs/dbraw/zinc/20/50/95/360205095.db2.gz ACBXLKGBQGUUEM-GFCCVEGCSA-N 2 2 294.355 0.533 20 5 CCBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351496007 389594869 /nfs/dbraw/zinc/59/48/69/389594869.db2.gz QTVNHWPJOVMOSH-LPEHRKFASA-N 2 2 265.317 0.497 20 5 CCBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351496007 389594871 /nfs/dbraw/zinc/59/48/71/389594871.db2.gz QTVNHWPJOVMOSH-LPEHRKFASA-N 2 2 265.317 0.497 20 5 CCBDLP C[N@H+](CC[NH3+])CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000420385332 389995384 /nfs/dbraw/zinc/99/53/84/389995384.db2.gz STQAVQGVOCCZPM-UHFFFAOYSA-N 2 2 294.311 0.783 20 5 CCBDLP C[N@@H+](CC[NH3+])CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000420385332 389995385 /nfs/dbraw/zinc/99/53/85/389995385.db2.gz STQAVQGVOCCZPM-UHFFFAOYSA-N 2 2 294.311 0.783 20 5 CCBDLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843062470 615926339 /nfs/dbraw/zinc/92/63/39/615926339.db2.gz OFUZLDWSIPERTG-QWHCGFSZSA-N 2 2 283.328 0.140 20 5 CCBDLP C[NH+]1CCN(Cc2cccc(C[NH2+]CC[N+](=O)[O-])c2)CC1 ZINC001336295310 920703942 /nfs/dbraw/zinc/70/39/42/920703942.db2.gz NUICRBVGJGTYMP-UHFFFAOYSA-N 2 2 292.383 0.800 20 5 CCBDLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000358145511 529800466 /nfs/dbraw/zinc/80/04/66/529800466.db2.gz WAAMHMKWPICLTD-CYBMUJFWSA-N 2 2 265.313 0.751 20 5 CCBDLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000358145511 529800468 /nfs/dbraw/zinc/80/04/68/529800468.db2.gz WAAMHMKWPICLTD-CYBMUJFWSA-N 2 2 265.313 0.751 20 5 CCBDLP O=[N+]([O-])c1ccc(CC[NH2+]CC[N@H+]2CC[C@H](O)C2)cc1 ZINC000602730585 362775470 /nfs/dbraw/zinc/77/54/70/362775470.db2.gz QYDQVMBGWPWQFU-AWEZNQCLSA-N 2 2 279.340 0.794 20 5 CCBDLP O=[N+]([O-])c1ccc(CC[NH2+]CC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000602730585 362775476 /nfs/dbraw/zinc/77/54/76/362775476.db2.gz QYDQVMBGWPWQFU-AWEZNQCLSA-N 2 2 279.340 0.794 20 5 CCBDLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000603430126 363128155 /nfs/dbraw/zinc/12/81/55/363128155.db2.gz SVMUMQZWVCANDU-ZJUUUORDSA-N 2 2 267.333 0.888 20 5 CCBDLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000603430126 363128158 /nfs/dbraw/zinc/12/81/58/363128158.db2.gz SVMUMQZWVCANDU-ZJUUUORDSA-N 2 2 267.333 0.888 20 5 CCBDLP O=[N+]([O-])c1ccc(C[NH2+]C2(CO)CC[NH2+]CC2)cc1 ZINC000595901630 360697549 /nfs/dbraw/zinc/69/75/49/360697549.db2.gz GESULXGRZYEIFQ-UHFFFAOYSA-N 2 2 265.313 0.799 20 5 CCBDLP [NH3+][C@]12CCC[C@H]1C[N@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000598681512 361480627 /nfs/dbraw/zinc/48/06/27/361480627.db2.gz GMCLXYVEUPPSKM-JQWIXIFHSA-N 2 2 265.317 0.605 20 5 CCBDLP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000598681512 361480628 /nfs/dbraw/zinc/48/06/28/361480628.db2.gz GMCLXYVEUPPSKM-JQWIXIFHSA-N 2 2 265.317 0.605 20 5 CCBDLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000414965815 389649065 /nfs/dbraw/zinc/64/90/65/389649065.db2.gz NUBJGOWCLGHVNB-GFCCVEGCSA-N 2 2 264.329 0.588 20 5 CCBDLP COc1ccc(NC(=O)CC[N@H+](C)CC[NH3+])c([N+](=O)[O-])c1 ZINC000420369757 389993917 /nfs/dbraw/zinc/99/39/17/389993917.db2.gz CAWJSPZAPHLGDK-UHFFFAOYSA-N 2 2 296.327 0.823 20 5 CCBDLP COc1ccc(NC(=O)CC[N@@H+](C)CC[NH3+])c([N+](=O)[O-])c1 ZINC000420369757 389993920 /nfs/dbraw/zinc/99/39/20/389993920.db2.gz CAWJSPZAPHLGDK-UHFFFAOYSA-N 2 2 296.327 0.823 20 5 CCBDLP C[N@@H+]1CC[C@@H]2C[NH+](CCn3ccc([N+](=O)[O-])n3)CC[C@@H]21 ZINC000879571553 616334628 /nfs/dbraw/zinc/33/46/28/616334628.db2.gz BSDFNUVGHQVNTB-NEPJUHHUSA-N 2 2 279.344 0.817 20 5 CCBDLP C[N@H+]1CC[C@@H]2C[NH+](CCn3ccc([N+](=O)[O-])n3)CC[C@@H]21 ZINC000879571553 616334631 /nfs/dbraw/zinc/33/46/31/616334631.db2.gz BSDFNUVGHQVNTB-NEPJUHHUSA-N 2 2 279.344 0.817 20 5 CCBDLP C[NH+]1CC[C@@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CC[C@@H]21 ZINC000879571553 616334638 /nfs/dbraw/zinc/33/46/38/616334638.db2.gz BSDFNUVGHQVNTB-NEPJUHHUSA-N 2 2 279.344 0.817 20 5 CCBDLP C[NH+]1CC[C@@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)CC[C@@H]21 ZINC000879571553 616334644 /nfs/dbraw/zinc/33/46/44/616334644.db2.gz BSDFNUVGHQVNTB-NEPJUHHUSA-N 2 2 279.344 0.817 20 5 CCBDLP O=[N+]([O-])c1ccn(CC[NH2+][C@H]2CC[NH2+]C23CCC3)n1 ZINC000903471500 634574618 /nfs/dbraw/zinc/57/46/18/634574618.db2.gz SNZLMYBVIUZOIA-JTQLQIEISA-N 2 2 265.317 0.666 20 5 CCBDLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CC[N+](=O)[O-] ZINC000931764726 649027373 /nfs/dbraw/zinc/02/73/73/649027373.db2.gz SKSDWHAPFSHGQM-NSHDSACASA-N 2 2 250.302 0.869 20 5 CCBDLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC[N+](=O)[O-] ZINC000931764726 649027378 /nfs/dbraw/zinc/02/73/78/649027378.db2.gz SKSDWHAPFSHGQM-NSHDSACASA-N 2 2 250.302 0.869 20 5 CCBDLP C[NH+]1CCN(C(=[NH2+])Nc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC001157914362 801518532 /nfs/dbraw/zinc/51/85/32/801518532.db2.gz DFZWFAUOYSJBOG-UHFFFAOYSA-N 2 2 282.279 0.723 20 5 CCBDLP C[NH+]1CCN(C(=[NH2+])Nc2ccc([N+](=O)[O-])c(N)n2)CC1 ZINC001157915603 801520213 /nfs/dbraw/zinc/52/02/13/801520213.db2.gz SZPNDOHJGMSWHF-UHFFFAOYSA-N 2 2 279.304 0.166 20 5 CCBDLP CC[NH+](CC)CCNC(=[NH2+])Nc1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001163122612 802487104 /nfs/dbraw/zinc/48/71/04/802487104.db2.gz NQXGTEPEILAEFJ-UHFFFAOYSA-N 2 2 296.331 0.506 20 5 CCBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246493022 807265400 /nfs/dbraw/zinc/26/54/00/807265400.db2.gz XLDZPJKUZFUTEB-AAEUAGOBSA-N 2 2 278.356 0.677 20 5 CCBDLP O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428039668 235392598 /nfs/dbraw/zinc/39/25/98/235392598.db2.gz SNZDFSOJRXCYPD-ZYHUDNBSSA-N 2 2 265.317 0.475 20 5 CCBDLP O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428039668 235392601 /nfs/dbraw/zinc/39/26/01/235392601.db2.gz SNZDFSOJRXCYPD-ZYHUDNBSSA-N 2 2 265.317 0.475 20 5 CCBDLP CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593901958 360201462 /nfs/dbraw/zinc/20/14/62/360201462.db2.gz KYPRAYIYGBQMAH-LBPRGKRZSA-N 2 2 294.355 0.832 20 5 CCBDLP COc1ccc(C[NH2+]C2(CO)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000595901115 360698059 /nfs/dbraw/zinc/69/80/59/360698059.db2.gz AAYQBDVOSHOFGF-UHFFFAOYSA-N 2 2 295.339 0.808 20 5 CCBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000442764358 389862297 /nfs/dbraw/zinc/86/22/97/389862297.db2.gz SZFKXCYPMUZADE-BDAKNGLRSA-N 2 2 253.306 0.497 20 5 CCBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000442764358 389862298 /nfs/dbraw/zinc/86/22/98/389862298.db2.gz SZFKXCYPMUZADE-BDAKNGLRSA-N 2 2 253.306 0.497 20 5 CCBDLP C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H](C[NH3+])C1 ZINC000420335659 389985395 /nfs/dbraw/zinc/98/53/95/389985395.db2.gz LVHQOKZMBNPHMA-QWRGUYRKSA-N 2 2 267.333 0.851 20 5 CCBDLP C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H](C[NH3+])C1 ZINC000420335659 389985396 /nfs/dbraw/zinc/98/53/96/389985396.db2.gz LVHQOKZMBNPHMA-QWRGUYRKSA-N 2 2 267.333 0.851 20 5 CCBDLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000358119609 144153989 /nfs/dbraw/zinc/15/39/89/144153989.db2.gz OVJLOZWVDUPMJK-CYBMUJFWSA-N 2 2 265.313 0.751 20 5 CCBDLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000358119609 144153991 /nfs/dbraw/zinc/15/39/91/144153991.db2.gz OVJLOZWVDUPMJK-CYBMUJFWSA-N 2 2 265.313 0.751 20 5 CCBDLP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000903858808 634669051 /nfs/dbraw/zinc/66/90/51/634669051.db2.gz ZQVMWQBAXOWPSL-PWSUYJOCSA-N 2 2 265.317 0.605 20 5 CCBDLP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000903858808 634669057 /nfs/dbraw/zinc/66/90/57/634669057.db2.gz ZQVMWQBAXOWPSL-PWSUYJOCSA-N 2 2 265.317 0.605 20 5 CCBDLP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3cccc([N+](=O)[O-])n3)CC2)C1 ZINC001158258887 801608944 /nfs/dbraw/zinc/60/89/44/801608944.db2.gz LNTOSVIGPXVDAD-LLVKDONJSA-N 2 2 291.355 0.992 20 5 CCBDLP [NH3+][C@@H]1CC[N@H+](C2CCN(c3cccc([N+](=O)[O-])n3)CC2)C1 ZINC001158258887 801608945 /nfs/dbraw/zinc/60/89/45/801608945.db2.gz LNTOSVIGPXVDAD-LLVKDONJSA-N 2 2 291.355 0.992 20 5 CCBDLP [NH3+][C@H]1CC[N@@H+](C2CCN(c3cccc([N+](=O)[O-])n3)CC2)C1 ZINC001158258888 801609081 /nfs/dbraw/zinc/60/90/81/801609081.db2.gz LNTOSVIGPXVDAD-NSHDSACASA-N 2 2 291.355 0.992 20 5 CCBDLP [NH3+][C@H]1CC[N@H+](C2CCN(c3cccc([N+](=O)[O-])n3)CC2)C1 ZINC001158258888 801609084 /nfs/dbraw/zinc/60/90/84/801609084.db2.gz LNTOSVIGPXVDAD-NSHDSACASA-N 2 2 291.355 0.992 20 5 CCBDLP COc1nc(NCC[NH+]2CCC([NH3+])CC2)ncc1[N+](=O)[O-] ZINC001161867775 802233744 /nfs/dbraw/zinc/23/37/44/802233744.db2.gz YPQPJYOKCNTDAQ-UHFFFAOYSA-N 2 2 296.331 0.228 20 5 CCBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COC[C@H]1[NH3+] ZINC001254538417 808258684 /nfs/dbraw/zinc/25/86/84/808258684.db2.gz URCGURPYIKYSAZ-MVWJERBFSA-N 2 2 265.313 0.842 20 5 CCBDLP C[N@H+](CCC[NH3+])CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000123270815 350073343 /nfs/dbraw/zinc/07/33/43/350073343.db2.gz BTTZNMMNUGCNJH-UHFFFAOYSA-N 2 2 266.301 0.814 20 5 CCBDLP C[N@@H+](CCC[NH3+])CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000123270815 350073346 /nfs/dbraw/zinc/07/33/46/350073346.db2.gz BTTZNMMNUGCNJH-UHFFFAOYSA-N 2 2 266.301 0.814 20 5 CCBDLP C[NH+](C)C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174861598 351108176 /nfs/dbraw/zinc/10/81/76/351108176.db2.gz JICKIDJIEBGIDV-LLVKDONJSA-N 2 2 267.333 0.675 20 5 CCBDLP C[NH+](C)C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174861598 351108180 /nfs/dbraw/zinc/10/81/80/351108180.db2.gz JICKIDJIEBGIDV-LLVKDONJSA-N 2 2 267.333 0.675 20 5 CCBDLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000603430614 363129688 /nfs/dbraw/zinc/12/96/88/363129688.db2.gz UAXTZXGAASDRNC-DTWKUNHWSA-N 2 2 253.306 0.497 20 5 CCBDLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000603430614 363129693 /nfs/dbraw/zinc/12/96/93/363129693.db2.gz UAXTZXGAASDRNC-DTWKUNHWSA-N 2 2 253.306 0.497 20 5 CCBDLP O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)n1 ZINC000428032304 235391920 /nfs/dbraw/zinc/39/19/20/235391920.db2.gz JOUUQEWBSLUWOQ-GHMZBOCLSA-N 2 2 265.317 0.475 20 5 CCBDLP O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)n1 ZINC000428032304 235391924 /nfs/dbraw/zinc/39/19/24/235391924.db2.gz JOUUQEWBSLUWOQ-GHMZBOCLSA-N 2 2 265.317 0.475 20 5 CCBDLP O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3C[NH2+]CCO3)CC2)n1 ZINC000595890987 360691916 /nfs/dbraw/zinc/69/19/16/360691916.db2.gz GXMLZJMDRMDVPO-LBPRGKRZSA-N 2 2 295.343 0.417 20 5 CCBDLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000430665904 249022421 /nfs/dbraw/zinc/02/24/21/249022421.db2.gz NOMYBASSJXMJCR-CMPLNLGQSA-N 2 2 267.333 0.993 20 5 CCBDLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000430665904 249022424 /nfs/dbraw/zinc/02/24/24/249022424.db2.gz NOMYBASSJXMJCR-CMPLNLGQSA-N 2 2 267.333 0.993 20 5 CCBDLP C[NH2+]CCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000517236639 249210644 /nfs/dbraw/zinc/21/06/44/249210644.db2.gz CMDQCLXAPWMTPB-UHFFFAOYSA-N 2 2 250.302 0.957 20 5 CCBDLP C[NH2+]CCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000517236639 249210647 /nfs/dbraw/zinc/21/06/47/249210647.db2.gz CMDQCLXAPWMTPB-UHFFFAOYSA-N 2 2 250.302 0.957 20 5 CCBDLP C[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1C[NH3+] ZINC000430599127 389811622 /nfs/dbraw/zinc/81/16/22/389811622.db2.gz VDFUMOBYHKYFNV-JQWIXIFHSA-N 2 2 267.333 0.851 20 5 CCBDLP C[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1C[NH3+] ZINC000430599127 389811623 /nfs/dbraw/zinc/81/16/23/389811623.db2.gz VDFUMOBYHKYFNV-JQWIXIFHSA-N 2 2 267.333 0.851 20 5 CCBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342095743 130257069 /nfs/dbraw/zinc/25/70/69/130257069.db2.gz ZAMNBVRBFJMVJJ-HBNTYKKESA-N 2 2 279.344 0.888 20 5 CCBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342095743 130257071 /nfs/dbraw/zinc/25/70/71/130257071.db2.gz ZAMNBVRBFJMVJJ-HBNTYKKESA-N 2 2 279.344 0.888 20 5 CCBDLP NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000044531008 175196319 /nfs/dbraw/zinc/19/63/19/175196319.db2.gz DZHRYCSMHSUFGR-JTQLQIEISA-N 2 2 292.339 0.864 20 5 CCBDLP NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000044531008 175196322 /nfs/dbraw/zinc/19/63/22/175196322.db2.gz DZHRYCSMHSUFGR-JTQLQIEISA-N 2 2 292.339 0.864 20 5 CCBDLP CC[NH+]1CCC([N@@H+]2CCCN(CC[N+](=O)[O-])CC2)CC1 ZINC000930748584 615100024 /nfs/dbraw/zinc/10/00/24/615100024.db2.gz BYVCSDLNQCIHCT-UHFFFAOYSA-N 2 2 284.404 0.755 20 5 CCBDLP CC[NH+]1CCC([N@H+]2CCCN(CC[N+](=O)[O-])CC2)CC1 ZINC000930748584 615100026 /nfs/dbraw/zinc/10/00/26/615100026.db2.gz BYVCSDLNQCIHCT-UHFFFAOYSA-N 2 2 284.404 0.755 20 5 CCBDLP CC[NH+]1CCC(N2CCC[N@H+](CC[N+](=O)[O-])CC2)CC1 ZINC000930748584 615100027 /nfs/dbraw/zinc/10/00/27/615100027.db2.gz BYVCSDLNQCIHCT-UHFFFAOYSA-N 2 2 284.404 0.755 20 5 CCBDLP CC[NH+]1CCC(N2CCC[N@@H+](CC[N+](=O)[O-])CC2)CC1 ZINC000930748584 615100029 /nfs/dbraw/zinc/10/00/29/615100029.db2.gz BYVCSDLNQCIHCT-UHFFFAOYSA-N 2 2 284.404 0.755 20 5 CCBDLP [NH3+]C[C@@]1(Nc2ncc(F)cc2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC001160512424 801956362 /nfs/dbraw/zinc/95/63/62/801956362.db2.gz VNAVCGQPMMKHLD-CYBMUJFWSA-N 2 2 295.318 0.964 20 5 CCBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[NH2+]C[C@@H]1CO ZINC001246300798 807214746 /nfs/dbraw/zinc/21/47/46/807214746.db2.gz UAZKAIPGVPWVPO-RAIGVLPGSA-N 2 2 279.340 0.696 20 5 CCBDLP CNc1cc([N+](=O)[O-])cnc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168735320 818535545 /nfs/dbraw/zinc/53/55/45/818535545.db2.gz NZCFSVFDIDOJHM-UHFFFAOYSA-N 2 2 293.331 0.626 20 5 CCBDLP C[NH+](C)C1(CNc2nccnc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001164207220 820664416 /nfs/dbraw/zinc/66/44/16/820664416.db2.gz VUBISTNGTDLOIA-UHFFFAOYSA-N 2 2 294.359 0.823 20 5 CCBDLP C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094341970 349568273 /nfs/dbraw/zinc/56/82/73/349568273.db2.gz FFLJROQGTLYGPI-SKDRFNHKSA-N 2 2 292.339 0.863 20 5 CCBDLP C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094341970 349568278 /nfs/dbraw/zinc/56/82/78/349568278.db2.gz FFLJROQGTLYGPI-SKDRFNHKSA-N 2 2 292.339 0.863 20 5 CCBDLP O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000601334968 362230760 /nfs/dbraw/zinc/23/07/60/362230760.db2.gz PFLWZYIXZOFYHO-WCQYABFASA-N 2 2 279.344 0.865 20 5 CCBDLP O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000601334968 362230762 /nfs/dbraw/zinc/23/07/62/362230762.db2.gz PFLWZYIXZOFYHO-WCQYABFASA-N 2 2 279.344 0.865 20 5 CCBDLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000602894673 362869576 /nfs/dbraw/zinc/86/95/76/362869576.db2.gz YUGPHUUZGHDIQE-CYBMUJFWSA-N 2 2 297.359 0.180 20 5 CCBDLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000602894673 362869580 /nfs/dbraw/zinc/86/95/80/362869580.db2.gz YUGPHUUZGHDIQE-CYBMUJFWSA-N 2 2 297.359 0.180 20 5 CCBDLP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000598681511 361480862 /nfs/dbraw/zinc/48/08/62/361480862.db2.gz GMCLXYVEUPPSKM-CMPLNLGQSA-N 2 2 265.317 0.605 20 5 CCBDLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000598681511 361480867 /nfs/dbraw/zinc/48/08/67/361480867.db2.gz GMCLXYVEUPPSKM-CMPLNLGQSA-N 2 2 265.317 0.605 20 5 CCBDLP O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3[nH+]c[nH]c3C2)n1 ZINC000599429099 361696171 /nfs/dbraw/zinc/69/61/71/361696171.db2.gz FQVYKHRXEDOXOR-UHFFFAOYSA-N 2 2 262.273 0.573 20 5 CCBDLP O=[N+]([O-])c1ccn(CC[N@H+]2CCc3[nH+]c[nH]c3C2)n1 ZINC000599429099 361696175 /nfs/dbraw/zinc/69/61/75/361696175.db2.gz FQVYKHRXEDOXOR-UHFFFAOYSA-N 2 2 262.273 0.573 20 5 CCBDLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000565234233 291364541 /nfs/dbraw/zinc/36/45/41/291364541.db2.gz SHLZIZMBKRWJTO-OLZOCXBDSA-N 2 2 290.323 0.339 20 5 CCBDLP COc1ccc(C[NH2+]C[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000415097499 389658837 /nfs/dbraw/zinc/65/88/37/389658837.db2.gz SPQSWOQREOZNHV-LLVKDONJSA-N 2 2 281.312 0.681 20 5 CCBDLP C[NH2+]C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000430968998 389842005 /nfs/dbraw/zinc/84/20/05/389842005.db2.gz YBJWNAJYNMPBGS-UHFFFAOYSA-N 2 2 253.306 0.475 20 5 CCBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420362442 389992182 /nfs/dbraw/zinc/99/21/82/389992182.db2.gz YZKGOMFBTZSGGF-JOYOIKCWSA-N 2 2 296.327 0.173 20 5 CCBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420362442 389992183 /nfs/dbraw/zinc/99/21/83/389992183.db2.gz YZKGOMFBTZSGGF-JOYOIKCWSA-N 2 2 296.327 0.173 20 5 CCBDLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000358119610 536481818 /nfs/dbraw/zinc/48/18/18/536481818.db2.gz OVJLOZWVDUPMJK-ZDUSSCGKSA-N 2 2 265.313 0.751 20 5 CCBDLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000358119610 536481819 /nfs/dbraw/zinc/48/18/19/536481819.db2.gz OVJLOZWVDUPMJK-ZDUSSCGKSA-N 2 2 265.313 0.751 20 5 CCBDLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788595415 581117698 /nfs/dbraw/zinc/11/76/98/581117698.db2.gz SXHGBNBMHLXHNN-MWLCHTKSSA-N 2 2 282.344 0.750 20 5 CCBDLP O=[N+]([O-])CC[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000905173886 634818775 /nfs/dbraw/zinc/81/87/75/634818775.db2.gz HYCQSCSMMPSQPO-VXGBXAGGSA-N 2 2 257.334 0.231 20 5 CCBDLP COc1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c([N+](=O)[O-])c1 ZINC001158204251 801592688 /nfs/dbraw/zinc/59/26/88/801592688.db2.gz PEWSDAAQFPNWAP-MRVPVSSYSA-N 2 2 293.283 0.046 20 5 CCBDLP Cc1[nH+]c2c(n1-c1ncc([N+](=O)[O-])cc1N)CC[NH2+]CC2 ZINC001165354867 802826079 /nfs/dbraw/zinc/82/60/79/802826079.db2.gz KAHQVJXTXOYVTC-UHFFFAOYSA-N 2 2 288.311 0.754 20 5 CCBDLP Cn1cc[nH+]c1CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169009804 836097868 /nfs/dbraw/zinc/09/78/68/836097868.db2.gz YGJBLRDKTYVLFH-MNOVXSKESA-N 2 2 252.318 0.998 20 5 CCBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncc(F)cc1[N+](=O)[O-] ZINC001158204176 837980664 /nfs/dbraw/zinc/98/06/64/837980664.db2.gz LGKIGEFBDORGFG-MRVPVSSYSA-N 2 2 281.247 0.177 20 5 CCBDLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000717338452 848236328 /nfs/dbraw/zinc/23/63/28/848236328.db2.gz DZCRLGBNZQZGPU-QWHCGFSZSA-N 2 2 283.328 0.140 20 5 CCBDLP Cc1c(C[N@H+](C)C[C@H](O)C[NH3+])cccc1[N+](=O)[O-] ZINC000310975725 137073470 /nfs/dbraw/zinc/07/34/70/137073470.db2.gz QFZBOBZOGZSDCC-LLVKDONJSA-N 2 2 253.302 0.655 20 5 CCBDLP Cc1c(C[N@@H+](C)C[C@H](O)C[NH3+])cccc1[N+](=O)[O-] ZINC000310975725 137073471 /nfs/dbraw/zinc/07/34/71/137073471.db2.gz QFZBOBZOGZSDCC-LLVKDONJSA-N 2 2 253.302 0.655 20 5 CCBDLP COc1ccc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000226625857 352031356 /nfs/dbraw/zinc/03/13/56/352031356.db2.gz GQAUAWASQYBRJL-LBPRGKRZSA-N 2 2 294.355 0.678 20 5 CCBDLP COc1ccc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000226625857 352031360 /nfs/dbraw/zinc/03/13/60/352031360.db2.gz GQAUAWASQYBRJL-LBPRGKRZSA-N 2 2 294.355 0.678 20 5 CCBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000596454862 360900525 /nfs/dbraw/zinc/90/05/25/360900525.db2.gz VCXYWZZVEQYYSQ-UHFFFAOYSA-N 2 2 297.359 0.536 20 5 CCBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000596454862 360900528 /nfs/dbraw/zinc/90/05/28/360900528.db2.gz VCXYWZZVEQYYSQ-UHFFFAOYSA-N 2 2 297.359 0.536 20 5 CCBDLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000518564124 249255977 /nfs/dbraw/zinc/25/59/77/249255977.db2.gz IAMXVXYTMZXKPZ-NEPJUHHUSA-N 2 2 290.323 0.339 20 5 CCBDLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000518564124 249255981 /nfs/dbraw/zinc/25/59/81/249255981.db2.gz IAMXVXYTMZXKPZ-NEPJUHHUSA-N 2 2 290.323 0.339 20 5 CCBDLP COc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000358165222 533673030 /nfs/dbraw/zinc/67/30/30/533673030.db2.gz KYBQTPWFNITZGJ-CQSZACIVSA-N 2 2 295.339 0.760 20 5 CCBDLP COc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000358165222 533673039 /nfs/dbraw/zinc/67/30/39/533673039.db2.gz KYBQTPWFNITZGJ-CQSZACIVSA-N 2 2 295.339 0.760 20 5 CCBDLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000442764367 297398389 /nfs/dbraw/zinc/39/83/89/297398389.db2.gz SZFKXCYPMUZADE-RKDXNWHRSA-N 2 2 253.306 0.497 20 5 CCBDLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000442764367 297398391 /nfs/dbraw/zinc/39/83/91/297398391.db2.gz SZFKXCYPMUZADE-RKDXNWHRSA-N 2 2 253.306 0.497 20 5 CCBDLP C[N@@H+]1CC[C@H]2C[NH+](CCn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000879574004 616444939 /nfs/dbraw/zinc/44/49/39/616444939.db2.gz VOVOJQBRMCDPPJ-WCQYABFASA-N 2 2 279.344 0.817 20 5 CCBDLP C[N@H+]1CC[C@H]2C[NH+](CCn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000879574004 616444941 /nfs/dbraw/zinc/44/49/41/616444941.db2.gz VOVOJQBRMCDPPJ-WCQYABFASA-N 2 2 279.344 0.817 20 5 CCBDLP C[NH+]1CC[C@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000879574004 616444942 /nfs/dbraw/zinc/44/49/42/616444942.db2.gz VOVOJQBRMCDPPJ-WCQYABFASA-N 2 2 279.344 0.817 20 5 CCBDLP C[NH+]1CC[C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000879574004 616444945 /nfs/dbraw/zinc/44/49/45/616444945.db2.gz VOVOJQBRMCDPPJ-WCQYABFASA-N 2 2 279.344 0.817 20 5 CCBDLP Cn1cc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c([N+](=O)[O-])n1 ZINC000931443230 625757715 /nfs/dbraw/zinc/75/77/15/625757715.db2.gz ULOWVNJCOQNLTM-MNOVXSKESA-N 2 2 279.344 0.712 20 5 CCBDLP Cn1cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c([N+](=O)[O-])n1 ZINC000931443230 625757720 /nfs/dbraw/zinc/75/77/20/625757720.db2.gz ULOWVNJCOQNLTM-MNOVXSKESA-N 2 2 279.344 0.712 20 5 CCBDLP Cn1cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c([N+](=O)[O-])n1 ZINC000931443230 625757730 /nfs/dbraw/zinc/75/77/30/625757730.db2.gz ULOWVNJCOQNLTM-MNOVXSKESA-N 2 2 279.344 0.712 20 5 CCBDLP Cn1cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c([N+](=O)[O-])n1 ZINC000931443230 625757741 /nfs/dbraw/zinc/75/77/41/625757741.db2.gz ULOWVNJCOQNLTM-MNOVXSKESA-N 2 2 279.344 0.712 20 5 CCBDLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000903881735 634677229 /nfs/dbraw/zinc/67/72/29/634677229.db2.gz HDMZQPQVBVFOEW-BPNCWPANSA-N 2 2 277.324 0.804 20 5 CCBDLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000903881735 634677230 /nfs/dbraw/zinc/67/72/30/634677230.db2.gz HDMZQPQVBVFOEW-BPNCWPANSA-N 2 2 277.324 0.804 20 5 CCBDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[N+](=O)[O-])[C@@H](C)C1 ZINC001336048305 920579430 /nfs/dbraw/zinc/57/94/30/920579430.db2.gz WOACTVMIEWJFDT-STQMWFEESA-N 2 2 273.377 0.990 20 5 CCBDLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[N+](=O)[O-])[C@@H](C)C1 ZINC001336048305 920579447 /nfs/dbraw/zinc/57/94/47/920579447.db2.gz WOACTVMIEWJFDT-STQMWFEESA-N 2 2 273.377 0.990 20 5 CCBDLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000600746413 362053370 /nfs/dbraw/zinc/05/33/70/362053370.db2.gz SSNHLSSERVNFQF-BETUJISGSA-N 2 2 279.344 0.723 20 5 CCBDLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000600746413 362053375 /nfs/dbraw/zinc/05/33/75/362053375.db2.gz SSNHLSSERVNFQF-BETUJISGSA-N 2 2 279.344 0.723 20 5 CCBDLP CN(C)c1[nH+]cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)n1C ZINC000425339364 529809603 /nfs/dbraw/zinc/80/96/03/529809603.db2.gz CJTROJZAXIHFLO-UHFFFAOYSA-N 2 2 293.331 0.381 20 5 CCBDLP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000598681513 361480715 /nfs/dbraw/zinc/48/07/15/361480715.db2.gz GMCLXYVEUPPSKM-PWSUYJOCSA-N 2 2 265.317 0.605 20 5 CCBDLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000598681513 361480717 /nfs/dbraw/zinc/48/07/17/361480717.db2.gz GMCLXYVEUPPSKM-PWSUYJOCSA-N 2 2 265.317 0.605 20 5 CCBDLP C[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]1C[NH3+] ZINC000430586664 389809820 /nfs/dbraw/zinc/80/98/20/389809820.db2.gz WVJOHDCIMXYWST-GHMZBOCLSA-N 2 2 267.333 0.851 20 5 CCBDLP C[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]1C[NH3+] ZINC000430586664 389809821 /nfs/dbraw/zinc/80/98/21/389809821.db2.gz WVJOHDCIMXYWST-GHMZBOCLSA-N 2 2 267.333 0.851 20 5 CCBDLP Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430587613 389809849 /nfs/dbraw/zinc/80/98/49/389809849.db2.gz WQXGXGYMENFQFW-NSHDSACASA-N 2 2 253.306 0.545 20 5 CCBDLP C[N@H+](CCOCC[NH3+])Cc1cccnc1[N+](=O)[O-] ZINC000886841552 616115803 /nfs/dbraw/zinc/11/58/03/616115803.db2.gz OSNRANGONHSQMK-UHFFFAOYSA-N 2 2 254.290 0.397 20 5 CCBDLP C[N@@H+](CCOCC[NH3+])Cc1cccnc1[N+](=O)[O-] ZINC000886841552 616115805 /nfs/dbraw/zinc/11/58/05/616115805.db2.gz OSNRANGONHSQMK-UHFFFAOYSA-N 2 2 254.290 0.397 20 5 CCBDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815616484 641116952 /nfs/dbraw/zinc/11/69/52/641116952.db2.gz PONBMAWXZUYBBY-QMTHXVAHSA-N 2 2 294.355 0.894 20 5 CCBDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815616484 641116954 /nfs/dbraw/zinc/11/69/54/641116954.db2.gz PONBMAWXZUYBBY-QMTHXVAHSA-N 2 2 294.355 0.894 20 5 CCBDLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817982832 641287098 /nfs/dbraw/zinc/28/70/98/641287098.db2.gz IFAIMGAOXNWPLF-ONGXEEELSA-N 2 2 280.328 0.816 20 5 CCBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nccc(Cl)c1[N+](=O)[O-] ZINC001158203293 801591624 /nfs/dbraw/zinc/59/16/24/801591624.db2.gz INNOGOSENMGPQD-SSDOTTSWSA-N 2 2 297.702 0.691 20 5 CCBDLP [NH3+][C@@H]1COC[C@H]1[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254574586 808260968 /nfs/dbraw/zinc/26/09/68/808260968.db2.gz JAAPKODGBSUDHS-CYZMBNFOSA-N 2 2 263.297 0.378 20 5 CCBDLP Cc1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ncc1[N+](=O)[O-] ZINC001169072704 836125697 /nfs/dbraw/zinc/12/56/97/836125697.db2.gz SQAYBCWTEFNRSY-SECBINFHSA-N 2 2 277.284 0.346 20 5 CCBDLP Cc1nc(NCC[N@@H+](C)CCC[NH+](C)C)ncc1[N+](=O)[O-] ZINC001328057482 914945379 /nfs/dbraw/zinc/94/53/79/914945379.db2.gz XVCLLLAAVXJYDT-UHFFFAOYSA-N 2 2 296.375 0.989 20 5 CCBDLP Cc1nc(NCC[N@H+](C)CCC[NH+](C)C)ncc1[N+](=O)[O-] ZINC001328057482 914945388 /nfs/dbraw/zinc/94/53/88/914945388.db2.gz XVCLLLAAVXJYDT-UHFFFAOYSA-N 2 2 296.375 0.989 20 5 CCBDLP [NH3+][C@H]1CCCCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000601323512 362221440 /nfs/dbraw/zinc/22/14/40/362221440.db2.gz BIRMYXPAHYAFTB-NSHDSACASA-N 2 2 267.333 0.995 20 5 CCBDLP [NH3+][C@H]1CCCCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000601323512 362221443 /nfs/dbraw/zinc/22/14/43/362221443.db2.gz BIRMYXPAHYAFTB-NSHDSACASA-N 2 2 267.333 0.995 20 5 CCBDLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000358167534 529800666 /nfs/dbraw/zinc/80/06/66/529800666.db2.gz MTFNLDKIZOINEZ-LLVKDONJSA-N 2 2 271.342 0.813 20 5 CCBDLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000358167534 529800668 /nfs/dbraw/zinc/80/06/68/529800668.db2.gz MTFNLDKIZOINEZ-LLVKDONJSA-N 2 2 271.342 0.813 20 5 CCBDLP [NH3+]CC[N@H+](CCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000342403863 137091530 /nfs/dbraw/zinc/09/15/30/137091530.db2.gz VAOCDAWXTYWXGF-UHFFFAOYSA-N 2 2 253.302 0.390 20 5 CCBDLP [NH3+]CC[N@@H+](CCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000342403863 137091531 /nfs/dbraw/zinc/09/15/31/137091531.db2.gz VAOCDAWXTYWXGF-UHFFFAOYSA-N 2 2 253.302 0.390 20 5 CCBDLP Cn1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])n1 ZINC000603427687 363127236 /nfs/dbraw/zinc/12/72/36/363127236.db2.gz DHABTWIIXLNTKG-GXSJLCMTSA-N 2 2 265.317 0.512 20 5 CCBDLP Cn1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])n1 ZINC000603427687 363127242 /nfs/dbraw/zinc/12/72/42/363127242.db2.gz DHABTWIIXLNTKG-GXSJLCMTSA-N 2 2 265.317 0.512 20 5 CCBDLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000593903643 360201947 /nfs/dbraw/zinc/20/19/47/360201947.db2.gz IRXAICJJGLDUDA-CYBMUJFWSA-N 2 2 294.355 0.533 20 5 CCBDLP C[NH+](C)CCC[N@H+](C)CCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596425924 360891249 /nfs/dbraw/zinc/89/12/49/360891249.db2.gz YQFYTPUNJONCEG-UHFFFAOYSA-N 2 2 297.359 0.991 20 5 CCBDLP C[NH+](C)CCC[N@@H+](C)CCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596425924 360891253 /nfs/dbraw/zinc/89/12/53/360891253.db2.gz YQFYTPUNJONCEG-UHFFFAOYSA-N 2 2 297.359 0.991 20 5 CCBDLP O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3[nH+]c[nH]c3C2)c1 ZINC000599423170 361692856 /nfs/dbraw/zinc/69/28/56/361692856.db2.gz VOSUYCUTODJMBF-UHFFFAOYSA-N 2 2 262.273 0.573 20 5 CCBDLP O=[N+]([O-])c1cnn(CC[N@H+]2CCc3[nH+]c[nH]c3C2)c1 ZINC000599423170 361692859 /nfs/dbraw/zinc/69/28/59/361692859.db2.gz VOSUYCUTODJMBF-UHFFFAOYSA-N 2 2 262.273 0.573 20 5 CCBDLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000430583545 389809979 /nfs/dbraw/zinc/80/99/79/389809979.db2.gz MXMAMIIBNLWZTC-VHSXEESVSA-N 2 2 267.333 0.888 20 5 CCBDLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000430583545 389809980 /nfs/dbraw/zinc/80/99/80/389809980.db2.gz MXMAMIIBNLWZTC-VHSXEESVSA-N 2 2 267.333 0.888 20 5 CCBDLP [NH3+][C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430591561 389810851 /nfs/dbraw/zinc/81/08/51/389810851.db2.gz KMBJVVWREUUSKS-SNVBAGLBSA-N 2 2 278.312 0.956 20 5 CCBDLP [NH3+][C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430591561 389810854 /nfs/dbraw/zinc/81/08/54/389810854.db2.gz KMBJVVWREUUSKS-SNVBAGLBSA-N 2 2 278.312 0.956 20 5 CCBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420348968 389988066 /nfs/dbraw/zinc/98/80/66/389988066.db2.gz BJFFSICMEVVVRV-BXKDBHETSA-N 2 2 296.327 0.173 20 5 CCBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420348968 389988068 /nfs/dbraw/zinc/98/80/68/389988068.db2.gz BJFFSICMEVVVRV-BXKDBHETSA-N 2 2 296.327 0.173 20 5 CCBDLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000791051944 581205881 /nfs/dbraw/zinc/20/58/81/581205881.db2.gz IPOAAAGBLWIYSZ-OKILXGFUSA-N 2 2 284.404 0.754 20 5 CCBDLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000791051944 581205883 /nfs/dbraw/zinc/20/58/83/581205883.db2.gz IPOAAAGBLWIYSZ-OKILXGFUSA-N 2 2 284.404 0.754 20 5 CCBDLP C[NH+]1CCN(c2ccc(C[NH2+]CC[N+](=O)[O-])cn2)CC1 ZINC000929586441 616247160 /nfs/dbraw/zinc/24/71/60/616247160.db2.gz MDHSMPSLSTZUOI-UHFFFAOYSA-N 2 2 279.344 0.200 20 5 CCBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[NH2+]C[C@@H]1CO ZINC001246304766 807215218 /nfs/dbraw/zinc/21/52/18/807215218.db2.gz IDKDIYNPFJVVAD-MPKXVKKWSA-N 2 2 279.340 0.696 20 5 CCBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246493034 807264824 /nfs/dbraw/zinc/26/48/24/807264824.db2.gz XLDZPJKUZFUTEB-WCQYABFASA-N 2 2 278.356 0.677 20 5 CCBDLP COc1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cc1[N+](=O)[O-] ZINC001169071235 836123984 /nfs/dbraw/zinc/12/39/84/836123984.db2.gz ILOMPRISUWLBSY-MRVPVSSYSA-N 2 2 293.283 0.046 20 5 CCBDLP C[NH2+]CCOCC[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000600727335 362047138 /nfs/dbraw/zinc/04/71/38/362047138.db2.gz LJPSHMIXJCWBHV-UHFFFAOYSA-N 2 2 283.328 0.968 20 5 CCBDLP C[NH2+]CCOCC[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000600727335 362047142 /nfs/dbraw/zinc/04/71/42/362047142.db2.gz LJPSHMIXJCWBHV-UHFFFAOYSA-N 2 2 283.328 0.968 20 5 CCBDLP C[C@@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000603427148 363127147 /nfs/dbraw/zinc/12/71/47/363127147.db2.gz BUESIVMCQZRMTQ-SCZZXKLOSA-N 2 2 253.306 0.497 20 5 CCBDLP C[C@@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000603427148 363127151 /nfs/dbraw/zinc/12/71/51/363127151.db2.gz BUESIVMCQZRMTQ-SCZZXKLOSA-N 2 2 253.306 0.497 20 5 CCBDLP [NH3+]CC1(O)CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000593726886 360141362 /nfs/dbraw/zinc/14/13/62/360141362.db2.gz ZAVZKSQZTYNYPI-UHFFFAOYSA-N 2 2 281.312 0.586 20 5 CCBDLP C[C@](C[NH3+])([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000430570174 389808594 /nfs/dbraw/zinc/80/85/94/389808594.db2.gz BHQHMCCXCJNXLK-CQSZACIVSA-N 2 2 292.339 0.911 20 5 CCBDLP C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1(C[NH3+])CCC1 ZINC000420322790 389983489 /nfs/dbraw/zinc/98/34/89/389983489.db2.gz FLHBPIFFVOUGHJ-UHFFFAOYSA-N 2 2 253.306 0.605 20 5 CCBDLP C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1(C[NH3+])CCC1 ZINC000420322790 389983490 /nfs/dbraw/zinc/98/34/90/389983490.db2.gz FLHBPIFFVOUGHJ-UHFFFAOYSA-N 2 2 253.306 0.605 20 5 CCBDLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843062471 615926557 /nfs/dbraw/zinc/92/65/57/615926557.db2.gz OFUZLDWSIPERTG-STQMWFEESA-N 2 2 283.328 0.140 20 5 CCBDLP O=[N+]([O-])CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000905108804 634798463 /nfs/dbraw/zinc/79/84/63/634798463.db2.gz CDIXYOHRYLYKAI-LBPRGKRZSA-N 2 2 257.334 0.496 20 5 CCBDLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000602894674 362869509 /nfs/dbraw/zinc/86/95/09/362869509.db2.gz YUGPHUUZGHDIQE-ZDUSSCGKSA-N 2 2 297.359 0.180 20 5 CCBDLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000602894674 362869514 /nfs/dbraw/zinc/86/95/14/362869514.db2.gz YUGPHUUZGHDIQE-ZDUSSCGKSA-N 2 2 297.359 0.180 20 5 CCBDLP O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)cn1 ZINC000592477486 359851003 /nfs/dbraw/zinc/85/10/03/359851003.db2.gz XVYTUDGXOXFDLM-LBPRGKRZSA-N 2 2 291.355 0.721 20 5 CCBDLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000593902746 360201203 /nfs/dbraw/zinc/20/12/03/360201203.db2.gz VLXCDVMLMNDIPL-LBPRGKRZSA-N 2 2 280.328 0.490 20 5 CCBDLP C[N@H+](CC[NH3+])CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420383526 389995404 /nfs/dbraw/zinc/99/54/04/389995404.db2.gz QXAXADUIIZFQIL-UHFFFAOYSA-N 2 2 266.301 0.814 20 5 CCBDLP C[N@@H+](CC[NH3+])CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420383526 389995405 /nfs/dbraw/zinc/99/54/05/389995405.db2.gz QXAXADUIIZFQIL-UHFFFAOYSA-N 2 2 266.301 0.814 20 5 CCBDLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788595413 581117775 /nfs/dbraw/zinc/11/77/75/581117775.db2.gz SXHGBNBMHLXHNN-KOLCDFICSA-N 2 2 282.344 0.750 20 5 CCBDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC[N+](=O)[O-] ZINC000930059554 615980626 /nfs/dbraw/zinc/98/06/26/615980626.db2.gz DWDZUEFTVLVTFV-UTUOFQBUSA-N 2 2 257.334 0.447 20 5 CCBDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC[N+](=O)[O-] ZINC000930059554 615980629 /nfs/dbraw/zinc/98/06/29/615980629.db2.gz DWDZUEFTVLVTFV-UTUOFQBUSA-N 2 2 257.334 0.447 20 5 CCBDLP C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@@H](O)C[NH3+] ZINC000841091550 616167525 /nfs/dbraw/zinc/16/75/25/616167525.db2.gz AENKYJSWTHHPGW-VIFPVBQESA-N 2 2 273.720 1.000 20 5 CCBDLP C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@@H](O)C[NH3+] ZINC000841091550 616167526 /nfs/dbraw/zinc/16/75/26/616167526.db2.gz AENKYJSWTHHPGW-VIFPVBQESA-N 2 2 273.720 1.000 20 5 CCBDLP C[N@@H+]1CC[C@H]2C[NH+](CCn3ccc([N+](=O)[O-])n3)CC[C@@H]21 ZINC000879571555 616445166 /nfs/dbraw/zinc/44/51/66/616445166.db2.gz BSDFNUVGHQVNTB-RYUDHWBXSA-N 2 2 279.344 0.817 20 5 CCBDLP C[N@H+]1CC[C@H]2C[NH+](CCn3ccc([N+](=O)[O-])n3)CC[C@@H]21 ZINC000879571555 616445168 /nfs/dbraw/zinc/44/51/68/616445168.db2.gz BSDFNUVGHQVNTB-RYUDHWBXSA-N 2 2 279.344 0.817 20 5 CCBDLP C[NH+]1CC[C@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CC[C@@H]21 ZINC000879571555 616445171 /nfs/dbraw/zinc/44/51/71/616445171.db2.gz BSDFNUVGHQVNTB-RYUDHWBXSA-N 2 2 279.344 0.817 20 5 CCBDLP C[NH+]1CC[C@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)CC[C@@H]21 ZINC000879571555 616445175 /nfs/dbraw/zinc/44/51/75/616445175.db2.gz BSDFNUVGHQVNTB-RYUDHWBXSA-N 2 2 279.344 0.817 20 5 CCBDLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000602893889 362870486 /nfs/dbraw/zinc/87/04/86/362870486.db2.gz WVNJHMCWQJAGTO-CYBMUJFWSA-N 2 2 297.359 0.180 20 5 CCBDLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000602893889 362870489 /nfs/dbraw/zinc/87/04/89/362870489.db2.gz WVNJHMCWQJAGTO-CYBMUJFWSA-N 2 2 297.359 0.180 20 5 CCBDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000049235070 348446173 /nfs/dbraw/zinc/44/61/73/348446173.db2.gz PLQJPEYJXXAMDK-CMPLNLGQSA-N 2 2 294.315 0.027 20 5 CCBDLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000603428269 363127093 /nfs/dbraw/zinc/12/70/93/363127093.db2.gz GHVHKGUJCLHVNI-SNVBAGLBSA-N 2 2 267.333 0.760 20 5 CCBDLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000603428269 363127099 /nfs/dbraw/zinc/12/70/99/363127099.db2.gz GHVHKGUJCLHVNI-SNVBAGLBSA-N 2 2 267.333 0.760 20 5 CCBDLP C[C@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000603429018 363128427 /nfs/dbraw/zinc/12/84/27/363128427.db2.gz LAXPENCGVDJHAW-VHSXEESVSA-N 2 2 267.333 0.745 20 5 CCBDLP C[C@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000603429018 363128432 /nfs/dbraw/zinc/12/84/32/363128432.db2.gz LAXPENCGVDJHAW-VHSXEESVSA-N 2 2 267.333 0.745 20 5 CCBDLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000603429687 363128632 /nfs/dbraw/zinc/12/86/32/363128632.db2.gz OYMHTWDADVJIEP-SCZZXKLOSA-N 2 2 253.306 0.640 20 5 CCBDLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000603429687 363128637 /nfs/dbraw/zinc/12/86/37/363128637.db2.gz OYMHTWDADVJIEP-SCZZXKLOSA-N 2 2 253.306 0.640 20 5 CCBDLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000603430619 363129553 /nfs/dbraw/zinc/12/95/53/363129553.db2.gz UAXTZXGAASDRNC-IUCAKERBSA-N 2 2 253.306 0.497 20 5 CCBDLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000603430619 363129560 /nfs/dbraw/zinc/12/95/60/363129560.db2.gz UAXTZXGAASDRNC-IUCAKERBSA-N 2 2 253.306 0.497 20 5 CCBDLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000593902620 360201656 /nfs/dbraw/zinc/20/16/56/360201656.db2.gz CPYKLFYVRPCHLU-NSHDSACASA-N 2 2 266.301 0.812 20 5 CCBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H](O)C[NH3+] ZINC000415062320 389654289 /nfs/dbraw/zinc/65/42/89/389654289.db2.gz YDXILHBQFYSFLR-GFCCVEGCSA-N 2 2 283.328 0.745 20 5 CCBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000415062320 389654292 /nfs/dbraw/zinc/65/42/92/389654292.db2.gz YDXILHBQFYSFLR-GFCCVEGCSA-N 2 2 283.328 0.745 20 5 CCBDLP C[NH+](C)C[C@H](O)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843062468 615944967 /nfs/dbraw/zinc/94/49/67/615944967.db2.gz OFUZLDWSIPERTG-CHWSQXEVSA-N 2 2 283.328 0.140 20 5 CCBDLP C[C@@H]1C[N@H+](CC[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000931685018 649017193 /nfs/dbraw/zinc/01/71/93/649017193.db2.gz XOLFMYNEDZQPQA-LLVKDONJSA-N 2 2 250.302 0.869 20 5 CCBDLP C[C@@H]1C[N@@H+](CC[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000931685018 649017194 /nfs/dbraw/zinc/01/71/94/649017194.db2.gz XOLFMYNEDZQPQA-LLVKDONJSA-N 2 2 250.302 0.869 20 5 CCBDLP Cc1c([N+](=O)[O-])cc[n+]([O-])c1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001157915526 801520460 /nfs/dbraw/zinc/52/04/60/801520460.db2.gz QXUKDQKZWFCIFU-UHFFFAOYSA-N 2 2 294.315 0.131 20 5 CCBDLP C[NH+]1CCN(C(=[NH2+])Nc2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001157915835 801521119 /nfs/dbraw/zinc/52/11/19/801521119.db2.gz WWXRIRMWRHQUEQ-UHFFFAOYSA-N 2 2 279.304 0.166 20 5 CCBDLP COc1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)nc1[N+](=O)[O-] ZINC001168736029 818540467 /nfs/dbraw/zinc/54/04/67/818540467.db2.gz IOXICRZIWJHXHU-UHFFFAOYSA-N 2 2 294.315 0.592 20 5 CCBDLP C[NH+](C)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000175086439 351117043 /nfs/dbraw/zinc/11/70/43/351117043.db2.gz IJSSCHVVINGWOU-UHFFFAOYSA-N 2 2 267.333 0.817 20 5 CCBDLP C[N@@H+]1CCN(Cc2csc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000226617061 352030985 /nfs/dbraw/zinc/03/09/85/352030985.db2.gz VXXRMRDXPNKBBQ-JTQLQIEISA-N 2 2 270.358 0.731 20 5 CCBDLP C[N@H+]1CCN(Cc2csc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000226617061 352030988 /nfs/dbraw/zinc/03/09/88/352030988.db2.gz VXXRMRDXPNKBBQ-JTQLQIEISA-N 2 2 270.358 0.731 20 5 CCBDLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000603429688 363128491 /nfs/dbraw/zinc/12/84/91/363128491.db2.gz OYMHTWDADVJIEP-WCBMZHEXSA-N 2 2 253.306 0.640 20 5 CCBDLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000603429688 363128493 /nfs/dbraw/zinc/12/84/93/363128493.db2.gz OYMHTWDADVJIEP-WCBMZHEXSA-N 2 2 253.306 0.640 20 5 CCBDLP COc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000415046144 389652871 /nfs/dbraw/zinc/65/28/71/389652871.db2.gz WWKXJIRSBIKTMB-IWIIMEHWSA-N 2 2 263.297 0.911 20 5 CCBDLP C[NH+]1CCN(C(=[NH2+])Nc2ncc([N+](=O)[O-])cc2N)CC1 ZINC001157915940 801521110 /nfs/dbraw/zinc/52/11/10/801521110.db2.gz HHZICQLWODXARJ-UHFFFAOYSA-N 2 2 279.304 0.166 20 5 CCBDLP [NH3+]C[C@]1(Nc2ncc(F)cc2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC001160512427 801956250 /nfs/dbraw/zinc/95/62/50/801956250.db2.gz VNAVCGQPMMKHLD-ZDUSSCGKSA-N 2 2 295.318 0.964 20 5 CCBDLP Cc1cccc([N+](=O)[O-])c1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169074605 836128588 /nfs/dbraw/zinc/12/85/88/836128588.db2.gz UDTDPLGUBLNUNL-SNVBAGLBSA-N 2 2 276.296 0.951 20 5 CCBDLP C[N@H+](CCOCC[NH3+])CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000600733573 362048499 /nfs/dbraw/zinc/04/84/99/362048499.db2.gz KNMQHNYTHYROJL-UHFFFAOYSA-N 2 2 296.327 0.440 20 5 CCBDLP C[N@@H+](CCOCC[NH3+])CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000600733573 362048503 /nfs/dbraw/zinc/04/85/03/362048503.db2.gz KNMQHNYTHYROJL-UHFFFAOYSA-N 2 2 296.327 0.440 20 5 CCBDLP Cn1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])n1 ZINC000602474608 362637298 /nfs/dbraw/zinc/63/72/98/362637298.db2.gz QDYSYWRNXDFSDD-SNVBAGLBSA-N 2 2 267.333 0.712 20 5 CCBDLP Cn1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])n1 ZINC000602474608 362637300 /nfs/dbraw/zinc/63/73/00/362637300.db2.gz QDYSYWRNXDFSDD-SNVBAGLBSA-N 2 2 267.333 0.712 20 5 CCBDLP O=[N+]([O-])c1ccc(CC[NH2+]CC[N@H+]2CC[C@@H](O)C2)cc1 ZINC000602725563 362773194 /nfs/dbraw/zinc/77/31/94/362773194.db2.gz QYDQVMBGWPWQFU-CQSZACIVSA-N 2 2 279.340 0.794 20 5 CCBDLP O=[N+]([O-])c1ccc(CC[NH2+]CC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000602725563 362773201 /nfs/dbraw/zinc/77/32/01/362773201.db2.gz QYDQVMBGWPWQFU-CQSZACIVSA-N 2 2 279.340 0.794 20 5 CCBDLP C[N@@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000124351551 350096770 /nfs/dbraw/zinc/09/67/70/350096770.db2.gz AEHDUZHDRKTFRR-LBPRGKRZSA-N 2 2 293.327 0.701 20 5 CCBDLP C[N@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000124351551 350096774 /nfs/dbraw/zinc/09/67/74/350096774.db2.gz AEHDUZHDRKTFRR-LBPRGKRZSA-N 2 2 293.327 0.701 20 5 CCBDLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000430665907 249022335 /nfs/dbraw/zinc/02/23/35/249022335.db2.gz NOMYBASSJXMJCR-ZYHUDNBSSA-N 2 2 267.333 0.993 20 5 CCBDLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000430665907 249022338 /nfs/dbraw/zinc/02/23/38/249022338.db2.gz NOMYBASSJXMJCR-ZYHUDNBSSA-N 2 2 267.333 0.993 20 5 CCBDLP Cc1ccc(C[N@H+](C)C[C@@H](O)C[NH3+])cc1[N+](=O)[O-] ZINC000415055542 389653763 /nfs/dbraw/zinc/65/37/63/389653763.db2.gz NGYZNJWWFLMPBM-NSHDSACASA-N 2 2 253.302 0.655 20 5 CCBDLP Cc1ccc(C[N@@H+](C)C[C@@H](O)C[NH3+])cc1[N+](=O)[O-] ZINC000415055542 389653766 /nfs/dbraw/zinc/65/37/66/389653766.db2.gz NGYZNJWWFLMPBM-NSHDSACASA-N 2 2 253.302 0.655 20 5 CCBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000415062321 389654066 /nfs/dbraw/zinc/65/40/66/389654066.db2.gz YDXILHBQFYSFLR-LBPRGKRZSA-N 2 2 283.328 0.745 20 5 CCBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000415062321 389654068 /nfs/dbraw/zinc/65/40/68/389654068.db2.gz YDXILHBQFYSFLR-LBPRGKRZSA-N 2 2 283.328 0.745 20 5 CCBDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815616482 641116738 /nfs/dbraw/zinc/11/67/38/641116738.db2.gz PONBMAWXZUYBBY-HZMBPMFUSA-N 2 2 294.355 0.894 20 5 CCBDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815616482 641116742 /nfs/dbraw/zinc/11/67/42/641116742.db2.gz PONBMAWXZUYBBY-HZMBPMFUSA-N 2 2 294.355 0.894 20 5 CCBDLP C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc2[nH]ccc2c[nH+]1 ZINC001234529316 806267593 /nfs/dbraw/zinc/26/75/93/806267593.db2.gz LKRJYZDMGYYFIC-LLVKDONJSA-N 2 2 278.332 0.926 20 5 CCBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[NH2+]C[C@H]1CO ZINC001246304771 807216255 /nfs/dbraw/zinc/21/62/55/807216255.db2.gz IDKDIYNPFJVVAD-OSMZGAPFSA-N 2 2 279.340 0.696 20 5 CCBDLP C[NH+](C)C=Cc1cc(=NOCC[NH3+])[nH]cc1[N+](=O)[O-] ZINC001156295058 836215342 /nfs/dbraw/zinc/21/53/42/836215342.db2.gz YHKNFXBUVBBACB-HWKANZROSA-N 2 2 267.289 0.824 20 5 CCBDLP COc1ccc(C[C@H](C)[NH2+][C@@H]2COC[C@H]2[NH3+])c([N+](=O)[O-])c1 ZINC001170307517 837305611 /nfs/dbraw/zinc/30/56/11/837305611.db2.gz GYAZVFLYOZXXLL-ZWKOPEQDSA-N 2 2 295.339 0.850 20 5 CCBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1COC[C@H]1[NH3+] ZINC001173219065 842018164 /nfs/dbraw/zinc/01/81/64/842018164.db2.gz WLPDNDXOJSSTJP-OASPWFOLSA-N 2 2 265.313 0.842 20 5 CCBDLP C[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000124350586 350096410 /nfs/dbraw/zinc/09/64/10/350096410.db2.gz VYBZQLTZNXZFEF-LBPRGKRZSA-N 2 2 293.327 0.701 20 5 CCBDLP C[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000124350586 350096414 /nfs/dbraw/zinc/09/64/14/350096414.db2.gz VYBZQLTZNXZFEF-LBPRGKRZSA-N 2 2 293.327 0.701 20 5 CCBDLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000603430124 363128552 /nfs/dbraw/zinc/12/85/52/363128552.db2.gz SVMUMQZWVCANDU-UWVGGRQHSA-N 2 2 267.333 0.888 20 5 CCBDLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000603430124 363128556 /nfs/dbraw/zinc/12/85/56/363128556.db2.gz SVMUMQZWVCANDU-UWVGGRQHSA-N 2 2 267.333 0.888 20 5 CCBDLP Cn1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])n1 ZINC000603430834 363129291 /nfs/dbraw/zinc/12/92/91/363129291.db2.gz VDEKUSPPZCTGRS-LBPRGKRZSA-N 2 2 265.317 0.514 20 5 CCBDLP Cn1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])n1 ZINC000603430834 363129298 /nfs/dbraw/zinc/12/92/98/363129298.db2.gz VDEKUSPPZCTGRS-LBPRGKRZSA-N 2 2 265.317 0.514 20 5 CCBDLP C[NH+](C)CCC[N@H+](C)CCNc1ncc([N+](=O)[O-])s1 ZINC000596424282 360890128 /nfs/dbraw/zinc/89/01/28/360890128.db2.gz FZRBGEMRVNBMCI-UHFFFAOYSA-N 2 2 287.389 0.769 20 5 CCBDLP C[NH+](C)CCC[N@@H+](C)CCNc1ncc([N+](=O)[O-])s1 ZINC000596424282 360890129 /nfs/dbraw/zinc/89/01/29/360890129.db2.gz FZRBGEMRVNBMCI-UHFFFAOYSA-N 2 2 287.389 0.769 20 5 CCBDLP C[NH+](C)CCOC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000738211181 582029058 /nfs/dbraw/zinc/02/90/58/582029058.db2.gz SHSVLTCXLOCESD-UHFFFAOYSA-N 2 2 297.359 0.791 20 5 CCBDLP C[NH+](C)C[C@H](O)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843062469 615944731 /nfs/dbraw/zinc/94/47/31/615944731.db2.gz OFUZLDWSIPERTG-OLZOCXBDSA-N 2 2 283.328 0.140 20 5 CCBDLP C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1(C[NH3+])CCOCC1 ZINC000903808399 616127630 /nfs/dbraw/zinc/12/76/30/616127630.db2.gz JAHCAVAQEYAJMK-UHFFFAOYSA-N 2 2 283.332 0.231 20 5 CCBDLP C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1(C[NH3+])CCOCC1 ZINC000903808399 616127631 /nfs/dbraw/zinc/12/76/31/616127631.db2.gz JAHCAVAQEYAJMK-UHFFFAOYSA-N 2 2 283.332 0.231 20 5 CCBDLP C[NH2+]CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000923432912 616958376 /nfs/dbraw/zinc/95/83/76/616958376.db2.gz KYNCLQXJPYKYRH-LBPRGKRZSA-N 2 2 285.348 0.082 20 5 CCBDLP C[NH2+]CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000923432912 616958380 /nfs/dbraw/zinc/95/83/80/616958380.db2.gz KYNCLQXJPYKYRH-LBPRGKRZSA-N 2 2 285.348 0.082 20 5 CCBDLP Cc1nc(NC(=[NH2+])N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001157911145 801517818 /nfs/dbraw/zinc/51/78/18/801517818.db2.gz YVELDFGKIRHMQH-UHFFFAOYSA-N 2 2 278.316 0.892 20 5 CCBDLP [NH3+][C@@H]1C[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@H]1O ZINC001246558921 807287894 /nfs/dbraw/zinc/28/78/94/807287894.db2.gz RRTMHALIFUZUBO-NWANDNLSSA-N 2 2 291.351 0.846 20 5 CCBDLP [NH3+][C@@H]1C[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@H]1O ZINC001246558921 807287899 /nfs/dbraw/zinc/28/78/99/807287899.db2.gz RRTMHALIFUZUBO-NWANDNLSSA-N 2 2 291.351 0.846 20 5 CCBDLP C[NH+](C)C[C@@](C)(O)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001262571588 809350118 /nfs/dbraw/zinc/35/01/18/809350118.db2.gz YQUTUIYXRAGHER-KGLIPLIRSA-N 2 2 297.355 0.530 20 5 CCBDLP COc1ncc([N+](=O)[O-])cc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168736382 818546534 /nfs/dbraw/zinc/54/65/34/818546534.db2.gz GDTWEVINWKPWOH-UHFFFAOYSA-N 2 2 294.315 0.592 20 5 CCBDLP C[NH+]1CCN(C(=[NH2+])N[C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168972600 836090728 /nfs/dbraw/zinc/09/07/28/836090728.db2.gz AEQAZUIYQVUFJK-QWRGUYRKSA-N 2 2 269.349 0.204 20 5 CCBDLP CNc1cc([N+](=O)[O-])cnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169071279 836123584 /nfs/dbraw/zinc/12/35/84/836123584.db2.gz JMJYYBUPNSVOAP-MRVPVSSYSA-N 2 2 292.299 0.079 20 5 CCBDLP O=[N+]([O-])CC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001353286294 925783571 /nfs/dbraw/zinc/78/35/71/925783571.db2.gz AIIDSQOLSZRDAG-AWEZNQCLSA-N 2 2 279.340 0.490 20 5 CCBDLP O=[N+]([O-])CC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001353286294 925783574 /nfs/dbraw/zinc/78/35/74/925783574.db2.gz AIIDSQOLSZRDAG-AWEZNQCLSA-N 2 2 279.340 0.490 20 5 CCBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H](O)C[NH3+] ZINC000311793093 137075692 /nfs/dbraw/zinc/07/56/92/137075692.db2.gz AOTNQVSQUGTXFR-LLVKDONJSA-N 2 2 269.301 0.355 20 5 CCBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000311793093 137075693 /nfs/dbraw/zinc/07/56/93/137075693.db2.gz AOTNQVSQUGTXFR-LLVKDONJSA-N 2 2 269.301 0.355 20 5 CCBDLP C[N@@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000124294315 350094572 /nfs/dbraw/zinc/09/45/72/350094572.db2.gz ZRXWDHWRCWEBJI-GFCCVEGCSA-N 2 2 292.339 0.239 20 5 CCBDLP C[N@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000124294315 350094573 /nfs/dbraw/zinc/09/45/73/350094573.db2.gz ZRXWDHWRCWEBJI-GFCCVEGCSA-N 2 2 292.339 0.239 20 5 CCBDLP Cn1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])n1 ZINC000603427689 363127392 /nfs/dbraw/zinc/12/73/92/363127392.db2.gz DHABTWIIXLNTKG-MWLCHTKSSA-N 2 2 265.317 0.512 20 5 CCBDLP Cn1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])n1 ZINC000603427689 363127395 /nfs/dbraw/zinc/12/73/95/363127395.db2.gz DHABTWIIXLNTKG-MWLCHTKSSA-N 2 2 265.317 0.512 20 5 CCBDLP C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H](C[NH3+])C1 ZINC000420335657 389985189 /nfs/dbraw/zinc/98/51/89/389985189.db2.gz LVHQOKZMBNPHMA-MNOVXSKESA-N 2 2 267.333 0.851 20 5 CCBDLP C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H](C[NH3+])C1 ZINC000420335657 389985192 /nfs/dbraw/zinc/98/51/92/389985192.db2.gz LVHQOKZMBNPHMA-MNOVXSKESA-N 2 2 267.333 0.851 20 5 CCBDLP C[N@@H+]1C[C@@H]2C[NH+](CCn3ccc([N+](=O)[O-])n3)C[C@]2(C)C1 ZINC000933739265 616383401 /nfs/dbraw/zinc/38/34/01/616383401.db2.gz GRCPZXLVUXRHEG-YPMHNXCESA-N 2 2 279.344 0.675 20 5 CCBDLP C[N@H+]1C[C@@H]2C[NH+](CCn3ccc([N+](=O)[O-])n3)C[C@]2(C)C1 ZINC000933739265 616383404 /nfs/dbraw/zinc/38/34/04/616383404.db2.gz GRCPZXLVUXRHEG-YPMHNXCESA-N 2 2 279.344 0.675 20 5 CCBDLP C[NH+]1C[C@@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)C[C@]2(C)C1 ZINC000933739265 616383408 /nfs/dbraw/zinc/38/34/08/616383408.db2.gz GRCPZXLVUXRHEG-YPMHNXCESA-N 2 2 279.344 0.675 20 5 CCBDLP C[NH+]1C[C@@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)C[C@]2(C)C1 ZINC000933739265 616383411 /nfs/dbraw/zinc/38/34/11/616383411.db2.gz GRCPZXLVUXRHEG-YPMHNXCESA-N 2 2 279.344 0.675 20 5 CCBDLP C[NH+](C)/C=C/c1cc(-n2cnc(C[NH3+])n2)ncc1[N+](=O)[O-] ZINC001157928258 837721697 /nfs/dbraw/zinc/72/16/97/837721697.db2.gz OKZOFGHAJJMDLW-ONEGZZNKSA-N 2 2 289.299 0.562 20 5 CCBDLP O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000601334969 362231312 /nfs/dbraw/zinc/23/13/12/362231312.db2.gz PFLWZYIXZOFYHO-YPMHNXCESA-N 2 2 279.344 0.865 20 5 CCBDLP O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000601334969 362231319 /nfs/dbraw/zinc/23/13/19/362231319.db2.gz PFLWZYIXZOFYHO-YPMHNXCESA-N 2 2 279.344 0.865 20 5 CCBDLP C[NH2+]C[C@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000603429708 363128539 /nfs/dbraw/zinc/12/85/39/363128539.db2.gz PMQLFAFYDQLTJK-SECBINFHSA-N 2 2 253.306 0.370 20 5 CCBDLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000603429708 363128542 /nfs/dbraw/zinc/12/85/42/363128542.db2.gz PMQLFAFYDQLTJK-SECBINFHSA-N 2 2 253.306 0.370 20 5 CCBDLP [NH3+]CCOCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000592493328 359857368 /nfs/dbraw/zinc/85/73/68/359857368.db2.gz KZVMSVSTZFIFKD-UHFFFAOYSA-N 2 2 266.301 0.323 20 5 CCBDLP [NH3+]CCOCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000592493328 359857376 /nfs/dbraw/zinc/85/73/76/359857376.db2.gz KZVMSVSTZFIFKD-UHFFFAOYSA-N 2 2 266.301 0.323 20 5 CCBDLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000593902214 360200932 /nfs/dbraw/zinc/20/09/32/360200932.db2.gz PUFIFELDHSXWBM-GFCCVEGCSA-N 2 2 280.328 0.490 20 5 CCBDLP [NH3+]CC[N@H+](CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420316124 389982825 /nfs/dbraw/zinc/98/28/25/389982825.db2.gz XVIFFSVLNXBISK-UHFFFAOYSA-N 2 2 296.327 0.176 20 5 CCBDLP [NH3+]CC[N@@H+](CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420316124 389982827 /nfs/dbraw/zinc/98/28/27/389982827.db2.gz XVIFFSVLNXBISK-UHFFFAOYSA-N 2 2 296.327 0.176 20 5 CCBDLP C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000384735932 336130262 /nfs/dbraw/zinc/13/02/62/336130262.db2.gz KUUJMVNNKWGNNS-UHFFFAOYSA-N 2 2 278.312 0.615 20 5 CCBDLP C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000384735932 336130263 /nfs/dbraw/zinc/13/02/63/336130263.db2.gz KUUJMVNNKWGNNS-UHFFFAOYSA-N 2 2 278.312 0.615 20 5 CCBDLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000791051945 581205962 /nfs/dbraw/zinc/20/59/62/581205962.db2.gz IPOAAAGBLWIYSZ-ZIAGYGMSSA-N 2 2 284.404 0.754 20 5 CCBDLP Cc1c[n+]([O-])c(NC(=[NH2+])N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001168737033 818554262 /nfs/dbraw/zinc/55/42/62/818554262.db2.gz UXNRNWMQQWVJKC-UHFFFAOYSA-N 2 2 294.315 0.131 20 5 CCBDLP C[NH+]1CCN(C(=[NH2+])N[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168972588 836089951 /nfs/dbraw/zinc/08/99/51/836089951.db2.gz AEQAZUIYQVUFJK-GHMZBOCLSA-N 2 2 269.349 0.204 20 5 CCBDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC[N+](=O)[O-])[C@H](C)C1 ZINC001336048302 920581364 /nfs/dbraw/zinc/58/13/64/920581364.db2.gz WOACTVMIEWJFDT-CHWSQXEVSA-N 2 2 273.377 0.990 20 5 CCBDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC[N+](=O)[O-])[C@H](C)C1 ZINC001336048302 920581369 /nfs/dbraw/zinc/58/13/69/920581369.db2.gz WOACTVMIEWJFDT-CHWSQXEVSA-N 2 2 273.377 0.990 20 5 CCBDLP O=[N+]([O-])CC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001353286295 925783354 /nfs/dbraw/zinc/78/33/54/925783354.db2.gz AIIDSQOLSZRDAG-CQSZACIVSA-N 2 2 279.340 0.490 20 5 CCBDLP O=[N+]([O-])CC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001353286295 925783359 /nfs/dbraw/zinc/78/33/59/925783359.db2.gz AIIDSQOLSZRDAG-CQSZACIVSA-N 2 2 279.340 0.490 20 5 CCBDLP O=[N+]([O-])CC[NH2+]C1CC[NH+](C2CCOCC2)CC1 ZINC001356620527 926412083 /nfs/dbraw/zinc/41/20/83/926412083.db2.gz DRHZQWSZPYGCTM-UHFFFAOYSA-N 2 2 257.334 0.496 20 5 CCBDLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000602893890 362869873 /nfs/dbraw/zinc/86/98/73/362869873.db2.gz WVNJHMCWQJAGTO-ZDUSSCGKSA-N 2 2 297.359 0.180 20 5 CCBDLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000602893890 362869881 /nfs/dbraw/zinc/86/98/81/362869881.db2.gz WVNJHMCWQJAGTO-ZDUSSCGKSA-N 2 2 297.359 0.180 20 5 CCBDLP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000415097501 389658418 /nfs/dbraw/zinc/65/84/18/389658418.db2.gz SPQSWOQREOZNHV-NSHDSACASA-N 2 2 281.312 0.681 20 5 CCBDLP Cn1cnc([N+](=O)[O-])c1C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430587612 389809894 /nfs/dbraw/zinc/80/98/94/389809894.db2.gz WQXGXGYMENFQFW-LLVKDONJSA-N 2 2 253.306 0.545 20 5 CCBDLP [NH3+][C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430650596 389816681 /nfs/dbraw/zinc/81/66/81/389816681.db2.gz KMBJVVWREUUSKS-JTQLQIEISA-N 2 2 278.312 0.956 20 5 CCBDLP [NH3+][C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430650596 389816684 /nfs/dbraw/zinc/81/66/84/389816684.db2.gz KMBJVVWREUUSKS-JTQLQIEISA-N 2 2 278.312 0.956 20 5 CCBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncc([N+](=O)[O-])cc1F ZINC001158204259 801592866 /nfs/dbraw/zinc/59/28/66/801592866.db2.gz PKIDXIUKYDTAJD-SSDOTTSWSA-N 2 2 281.247 0.177 20 5 CCBDLP C[NH+](C)C1(CNc2cnc([N+](=O)[O-])cn2)CC[NH+](C)CC1 ZINC001164212907 802689501 /nfs/dbraw/zinc/68/95/01/802689501.db2.gz JVVPSRSPXNKGBA-UHFFFAOYSA-N 2 2 294.359 0.823 20 5 CCBDLP Cc1cnc(NC(=[NH2+])N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001168736758 818552485 /nfs/dbraw/zinc/55/24/85/818552485.db2.gz KDHHIRRQSPNVNF-UHFFFAOYSA-N 2 2 278.316 0.892 20 5 CCBDLP C[NH+]1CCC(CO)([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169009355 836098294 /nfs/dbraw/zinc/09/82/94/836098294.db2.gz VUNMTUQTBDDUBI-NEPJUHHUSA-N 2 2 271.361 0.478 20 5 CCBDLP [NH3+][C@H]1CC[N@@H+](C2CCN(c3cc([N+](=O)[O-])ccn3)CC2)C1 ZINC001158258598 838009304 /nfs/dbraw/zinc/00/93/04/838009304.db2.gz DHBCOXAZARMKPI-NSHDSACASA-N 2 2 291.355 0.992 20 5 CCBDLP [NH3+][C@H]1CC[N@H+](C2CCN(c3cc([N+](=O)[O-])ccn3)CC2)C1 ZINC001158258598 838009314 /nfs/dbraw/zinc/00/93/14/838009314.db2.gz DHBCOXAZARMKPI-NSHDSACASA-N 2 2 291.355 0.992 20 5 CCBDLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000717338454 848236213 /nfs/dbraw/zinc/23/62/13/848236213.db2.gz DZCRLGBNZQZGPU-STQMWFEESA-N 2 2 283.328 0.140 20 5 CCBDLP C[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094341971 349567941 /nfs/dbraw/zinc/56/79/41/349567941.db2.gz FFLJROQGTLYGPI-CABZTGNLSA-N 2 2 292.339 0.863 20 5 CCBDLP C[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094341971 349567946 /nfs/dbraw/zinc/56/79/46/349567946.db2.gz FFLJROQGTLYGPI-CABZTGNLSA-N 2 2 292.339 0.863 20 5 CCBDLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000358167536 529809847 /nfs/dbraw/zinc/80/98/47/529809847.db2.gz MTFNLDKIZOINEZ-NSHDSACASA-N 2 2 271.342 0.813 20 5 CCBDLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000358167536 529809848 /nfs/dbraw/zinc/80/98/48/529809848.db2.gz MTFNLDKIZOINEZ-NSHDSACASA-N 2 2 271.342 0.813 20 5 CCBDLP Cn1cc(C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)c([N+](=O)[O-])n1 ZINC000603427675 363127034 /nfs/dbraw/zinc/12/70/34/363127034.db2.gz CZBKRCPWUJXSAL-DTWKUNHWSA-N 2 2 253.306 0.544 20 5 CCBDLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000603430623 363129810 /nfs/dbraw/zinc/12/98/10/363129810.db2.gz UHRAONYSROFUKC-LLVKDONJSA-N 2 2 255.322 0.791 20 5 CCBDLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000603430612 363129826 /nfs/dbraw/zinc/12/98/26/363129826.db2.gz UAXTZXGAASDRNC-BDAKNGLRSA-N 2 2 253.306 0.497 20 5 CCBDLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000603430612 363129834 /nfs/dbraw/zinc/12/98/34/363129834.db2.gz UAXTZXGAASDRNC-BDAKNGLRSA-N 2 2 253.306 0.497 20 5 CCBDLP C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C[NH3+])C1CC1 ZINC000359909471 356918139 /nfs/dbraw/zinc/91/81/39/356918139.db2.gz INRMCWHQZXSXDL-JTQLQIEISA-N 2 2 253.306 0.460 20 5 CCBDLP C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C[NH3+])C1CC1 ZINC000359909471 356918144 /nfs/dbraw/zinc/91/81/44/356918144.db2.gz INRMCWHQZXSXDL-JTQLQIEISA-N 2 2 253.306 0.460 20 5 CCBDLP O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@H]1CC[NH2+]C1)CC2 ZINC000592493518 359858035 /nfs/dbraw/zinc/85/80/35/359858035.db2.gz SEKDEMXWECUTBB-JTQLQIEISA-N 2 2 262.313 0.957 20 5 CCBDLP O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@H]1CC[NH2+]C1)CC2 ZINC000592493518 359858041 /nfs/dbraw/zinc/85/80/41/359858041.db2.gz SEKDEMXWECUTBB-JTQLQIEISA-N 2 2 262.313 0.957 20 5 CCBDLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000593909163 360205416 /nfs/dbraw/zinc/20/54/16/360205416.db2.gz HOYHNDFFPWTCBT-NSHDSACASA-N 2 2 292.339 0.763 20 5 CCBDLP Cc1c(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000593907922 360205545 /nfs/dbraw/zinc/20/55/45/360205545.db2.gz VXYNWJQATUEARV-GFCCVEGCSA-N 2 2 294.355 0.798 20 5 CCBDLP [NH3+]CC12CC(C1)C[N@@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000595908270 360700897 /nfs/dbraw/zinc/70/08/97/360700897.db2.gz HDLSALVNJUARMO-UHFFFAOYSA-N 2 2 251.290 0.214 20 5 CCBDLP [NH3+]CC12CC(C1)C[N@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000595908270 360700903 /nfs/dbraw/zinc/70/09/03/360700903.db2.gz HDLSALVNJUARMO-UHFFFAOYSA-N 2 2 251.290 0.214 20 5 CCBDLP Cc1ccc(C[NH2+]C[C@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000414956412 389647983 /nfs/dbraw/zinc/64/79/83/389647983.db2.gz AHKCXQWDPLSGHH-CYBMUJFWSA-N 2 2 278.356 0.896 20 5 CCBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H](O)C[NH3+] ZINC000420358867 389991460 /nfs/dbraw/zinc/99/14/60/389991460.db2.gz VBZPVHDTWZHTBX-NXEZZACHSA-N 2 2 253.302 0.907 20 5 CCBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420358867 389991461 /nfs/dbraw/zinc/99/14/61/389991461.db2.gz VBZPVHDTWZHTBX-NXEZZACHSA-N 2 2 253.302 0.907 20 5 CCBDLP Cn1cc[nH+]c1[C@H](NC1C[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000567102526 390671171 /nfs/dbraw/zinc/67/11/71/390671171.db2.gz MJPCFTNZMRGRRK-CYBMUJFWSA-N 2 2 287.323 0.979 20 5 CCBDLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000351859676 278318322 /nfs/dbraw/zinc/31/83/22/278318322.db2.gz GPLCKCGOEADHLZ-BDAKNGLRSA-N 2 2 253.306 0.497 20 5 CCBDLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000351859676 278318323 /nfs/dbraw/zinc/31/83/23/278318323.db2.gz GPLCKCGOEADHLZ-BDAKNGLRSA-N 2 2 253.306 0.497 20 5 CCBDLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817982830 641287022 /nfs/dbraw/zinc/28/70/22/641287022.db2.gz IFAIMGAOXNWPLF-KOLCDFICSA-N 2 2 280.328 0.816 20 5 CCBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000933734074 649140441 /nfs/dbraw/zinc/14/04/41/649140441.db2.gz LCTLYMJASRJVCO-OCCSQVGLSA-N 2 2 293.371 0.983 20 5 CCBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000933734074 649140446 /nfs/dbraw/zinc/14/04/46/649140446.db2.gz LCTLYMJASRJVCO-OCCSQVGLSA-N 2 2 293.371 0.983 20 5 CCBDLP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933734074 649140450 /nfs/dbraw/zinc/14/04/50/649140450.db2.gz LCTLYMJASRJVCO-OCCSQVGLSA-N 2 2 293.371 0.983 20 5 CCBDLP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933734074 649140455 /nfs/dbraw/zinc/14/04/55/649140455.db2.gz LCTLYMJASRJVCO-OCCSQVGLSA-N 2 2 293.371 0.983 20 5 CCBDLP Cc1ncc([N+](=O)[O-])c(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001157914502 801518096 /nfs/dbraw/zinc/51/80/96/801518096.db2.gz GJLGCYRLOHALEG-UHFFFAOYSA-N 2 2 279.304 0.287 20 5 CCBDLP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001246143469 807166246 /nfs/dbraw/zinc/16/62/46/807166246.db2.gz KMNCLWQSNFPVNL-MCIONIFRSA-N 3 2 296.415 0.896 20 5 CCBDLP C[NH+]1CCN(C(=[NH2+])N[C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168972604 836090860 /nfs/dbraw/zinc/09/08/60/836090860.db2.gz AEQAZUIYQVUFJK-WDEREUQCSA-N 2 2 269.349 0.204 20 5 CCBDLP COc1ccnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1[N+](=O)[O-] ZINC001169067773 836124286 /nfs/dbraw/zinc/12/42/86/836124286.db2.gz YCJARNPMDZBKBC-MRVPVSSYSA-N 2 2 293.283 0.046 20 5 CCBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cnc(Cl)cc1[N+](=O)[O-] ZINC001169072834 836125625 /nfs/dbraw/zinc/12/56/25/836125625.db2.gz ZXQIEKYOOHZFOS-SSDOTTSWSA-N 2 2 297.702 0.691 20 5 CCBDLP C[C@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000603427150 363127479 /nfs/dbraw/zinc/12/74/79/363127479.db2.gz BUESIVMCQZRMTQ-WPRPVWTQSA-N 2 2 253.306 0.497 20 5 CCBDLP C[C@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000603427150 363127483 /nfs/dbraw/zinc/12/74/83/363127483.db2.gz BUESIVMCQZRMTQ-WPRPVWTQSA-N 2 2 253.306 0.497 20 5 CCBDLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000603431301 363129777 /nfs/dbraw/zinc/12/97/77/363129777.db2.gz VRYVWUIOHCJPFP-IUCAKERBSA-N 2 2 253.306 0.497 20 5 CCBDLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000603431301 363129782 /nfs/dbraw/zinc/12/97/82/363129782.db2.gz VRYVWUIOHCJPFP-IUCAKERBSA-N 2 2 253.306 0.497 20 5 CCBDLP C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C[NH3+])C1CC1 ZINC000359875310 356913773 /nfs/dbraw/zinc/91/37/73/356913773.db2.gz KKHDLTOCWNMTCP-LLVKDONJSA-N 2 2 253.306 0.460 20 5 CCBDLP C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C[NH3+])C1CC1 ZINC000359875310 356913775 /nfs/dbraw/zinc/91/37/75/356913775.db2.gz KKHDLTOCWNMTCP-LLVKDONJSA-N 2 2 253.306 0.460 20 5 CCBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCC[NH3+] ZINC000592473974 359849367 /nfs/dbraw/zinc/84/93/67/359849367.db2.gz YTQISDRWCSRRIG-UHFFFAOYSA-N 2 2 296.327 0.823 20 5 CCBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCC[NH3+] ZINC000592473974 359849371 /nfs/dbraw/zinc/84/93/71/359849371.db2.gz YTQISDRWCSRRIG-UHFFFAOYSA-N 2 2 296.327 0.823 20 5 CCBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000597989857 361297812 /nfs/dbraw/zinc/29/78/12/361297812.db2.gz KRXKPIHGDSDZHS-UHFFFAOYSA-N 2 2 297.359 0.536 20 5 CCBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000597989857 361297817 /nfs/dbraw/zinc/29/78/17/361297817.db2.gz KRXKPIHGDSDZHS-UHFFFAOYSA-N 2 2 297.359 0.536 20 5 CCBDLP O=[N+]([O-])CC[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000905129202 634804945 /nfs/dbraw/zinc/80/49/45/634804945.db2.gz XOFDUHWJOFVDAE-LLVKDONJSA-N 2 2 257.334 0.354 20 5 CCBDLP O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000601334967 362231070 /nfs/dbraw/zinc/23/10/70/362231070.db2.gz PFLWZYIXZOFYHO-DGCLKSJQSA-N 2 2 279.344 0.865 20 5 CCBDLP O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000601334967 362231077 /nfs/dbraw/zinc/23/10/77/362231077.db2.gz PFLWZYIXZOFYHO-DGCLKSJQSA-N 2 2 279.344 0.865 20 5 CCBDLP Cn1cc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)c([N+](=O)[O-])n1 ZINC000603431767 363131678 /nfs/dbraw/zinc/13/16/78/363131678.db2.gz YWVJOYPMHOXGDB-JTQLQIEISA-N 2 2 267.333 0.806 20 5 CCBDLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000593725612 360141948 /nfs/dbraw/zinc/14/19/48/360141948.db2.gz SOBIOJJVEXWRGP-AWEZNQCLSA-N 2 2 279.340 0.923 20 5 CCBDLP C[NH2+]C[C@](C)(O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000593725612 360141952 /nfs/dbraw/zinc/14/19/52/360141952.db2.gz SOBIOJJVEXWRGP-AWEZNQCLSA-N 2 2 279.340 0.923 20 5 CCBDLP COCC[NH2+]C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000570456291 291758504 /nfs/dbraw/zinc/75/85/04/291758504.db2.gz RDDOZEHYPHSWLM-UHFFFAOYSA-N 2 2 297.359 0.492 20 5 CCBDLP [NH3+]C[C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000430637639 389815174 /nfs/dbraw/zinc/81/51/74/389815174.db2.gz DBKGAVMMBYKXLH-JTQLQIEISA-N 2 2 253.306 0.605 20 5 CCBDLP [NH3+]C[C@@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000430637639 389815177 /nfs/dbraw/zinc/81/51/77/389815177.db2.gz DBKGAVMMBYKXLH-JTQLQIEISA-N 2 2 253.306 0.605 20 5 CCBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H](O)C[NH3+] ZINC000420358872 389991464 /nfs/dbraw/zinc/99/14/64/389991464.db2.gz VBZPVHDTWZHTBX-VHSXEESVSA-N 2 2 253.302 0.907 20 5 CCBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420358872 389991465 /nfs/dbraw/zinc/99/14/65/389991465.db2.gz VBZPVHDTWZHTBX-VHSXEESVSA-N 2 2 253.302 0.907 20 5 CCBDLP COC(=O)COc1ccc(C[NH2+][C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000414925694 533558443 /nfs/dbraw/zinc/55/84/43/533558443.db2.gz JENIXGPSOYGOCP-SECBINFHSA-N 2 2 297.311 0.583 20 5 CCBDLP C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000226615309 263368207 /nfs/dbraw/zinc/36/82/07/263368207.db2.gz WCGJTQBCFFHPCY-ZDUSSCGKSA-N 2 2 264.329 0.670 20 5 CCBDLP C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000226615309 263368209 /nfs/dbraw/zinc/36/82/09/263368209.db2.gz WCGJTQBCFFHPCY-ZDUSSCGKSA-N 2 2 264.329 0.670 20 5 CCBDLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000791051943 581205911 /nfs/dbraw/zinc/20/59/11/581205911.db2.gz IPOAAAGBLWIYSZ-KBPBESRZSA-N 2 2 284.404 0.754 20 5 CCBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000749684386 582017138 /nfs/dbraw/zinc/01/71/38/582017138.db2.gz BUPSKJNGLKSXHM-MBNYWOFBSA-N 2 2 277.324 0.779 20 5 CCBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000749684386 582017139 /nfs/dbraw/zinc/01/71/39/582017139.db2.gz BUPSKJNGLKSXHM-MBNYWOFBSA-N 2 2 277.324 0.779 20 5 CCBDLP [NH2+]=C(NCCCC[NH3+])Nc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001157094201 801299573 /nfs/dbraw/zinc/29/95/73/801299573.db2.gz NKYAKXUKOBUXLE-UHFFFAOYSA-N 2 2 297.275 0.573 20 5 CCBDLP [NH3+]C[C@@]1(Nc2cc([N+](=O)[O-])cc[n+]2[O-])C[NH+]2CCC1CC2 ZINC001160508939 801954010 /nfs/dbraw/zinc/95/40/10/801954010.db2.gz KZGHJZAYKAKYEO-CYBMUJFWSA-N 2 2 293.327 0.063 20 5 CCBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncccc1[N+](=O)[O-] ZINC001169072959 836125610 /nfs/dbraw/zinc/12/56/10/836125610.db2.gz VQBYYUXQGDPFBE-MRVPVSSYSA-N 2 2 263.257 0.038 20 5 CCBDLP O=[N+]([O-])c1cnn(CC[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)c1 ZINC000601327957 362225291 /nfs/dbraw/zinc/22/52/91/362225291.db2.gz AVYOFIJYRXKNFR-PWSUYJOCSA-N 2 2 265.317 0.523 20 5 CCBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261769405 137019352 /nfs/dbraw/zinc/01/93/52/137019352.db2.gz RYDOTBXRYAVDCW-NSHDSACASA-N 2 2 253.306 0.499 20 5 CCBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261769405 137019353 /nfs/dbraw/zinc/01/93/53/137019353.db2.gz RYDOTBXRYAVDCW-NSHDSACASA-N 2 2 253.306 0.499 20 5 CCBDLP CC[C@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000603429681 363128746 /nfs/dbraw/zinc/12/87/46/363128746.db2.gz OSWLFULEKNIYKF-ONGXEEELSA-N 2 2 267.333 0.888 20 5 CCBDLP CC[C@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000603429681 363128750 /nfs/dbraw/zinc/12/87/50/363128750.db2.gz OSWLFULEKNIYKF-ONGXEEELSA-N 2 2 267.333 0.888 20 5 CCBDLP Cn1cc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)c([N+](=O)[O-])n1 ZINC000603429707 363128798 /nfs/dbraw/zinc/12/87/98/363128798.db2.gz PMLANKXLZXIMAQ-VIFPVBQESA-N 2 2 255.322 0.791 20 5 CCBDLP O=[N+]([O-])c1cnn(CC[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000594931502 360419215 /nfs/dbraw/zinc/41/92/15/360419215.db2.gz PDMKCIWWJOJSKX-UHFFFAOYSA-N 2 2 276.300 0.724 20 5 CCBDLP O=[N+]([O-])c1ccccc1C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000595902212 360697832 /nfs/dbraw/zinc/69/78/32/360697832.db2.gz MYKPTZBITDUZSP-UHFFFAOYSA-N 2 2 265.313 0.799 20 5 CCBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2C[NH2+]CCO2)c(F)c1 ZINC000415097512 389658535 /nfs/dbraw/zinc/65/85/35/389658535.db2.gz SRWPELLCLWYWFT-LLVKDONJSA-N 2 2 269.276 0.812 20 5 CCBDLP C[NH+]1CCN(C(=[NH2+])N[C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168972597 836089340 /nfs/dbraw/zinc/08/93/40/836089340.db2.gz AEQAZUIYQVUFJK-MNOVXSKESA-N 2 2 269.349 0.204 20 5 CCBDLP CCO[C@@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000603427818 363127608 /nfs/dbraw/zinc/12/76/08/363127608.db2.gz FZOGJHBFJYOPAA-MWLCHTKSSA-N 2 2 283.332 0.124 20 5 CCBDLP CCO[C@@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000603427818 363127611 /nfs/dbraw/zinc/12/76/11/363127611.db2.gz FZOGJHBFJYOPAA-MWLCHTKSSA-N 2 2 283.332 0.124 20 5 CCBDLP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c([N+](=O)[O-])n1 ZINC000603429712 363128075 /nfs/dbraw/zinc/12/80/75/363128075.db2.gz POMCWRHYOAJFHA-AAEUAGOBSA-N 2 2 279.344 0.889 20 5 CCBDLP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c([N+](=O)[O-])n1 ZINC000603429712 363128082 /nfs/dbraw/zinc/12/80/82/363128082.db2.gz POMCWRHYOAJFHA-AAEUAGOBSA-N 2 2 279.344 0.889 20 5 CCBDLP C[N@H+](CCC[NH3+])[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000592473920 359849113 /nfs/dbraw/zinc/84/91/13/359849113.db2.gz VCKVWOIJICOQRT-ZDUSSCGKSA-N 2 2 292.339 0.981 20 5 CCBDLP C[N@@H+](CCC[NH3+])[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000592473920 359849120 /nfs/dbraw/zinc/84/91/20/359849120.db2.gz VCKVWOIJICOQRT-ZDUSSCGKSA-N 2 2 292.339 0.981 20 5 CCBDLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000565234232 291364613 /nfs/dbraw/zinc/36/46/13/291364613.db2.gz SHLZIZMBKRWJTO-CHWSQXEVSA-N 2 2 290.323 0.339 20 5 CCBDLP C[NH+](C)CC(C)(C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000459552297 249042757 /nfs/dbraw/zinc/04/27/57/249042757.db2.gz VIGOPTXUBQNUTR-UHFFFAOYSA-N 2 2 282.344 0.686 20 5 CCBDLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000414956951 389647869 /nfs/dbraw/zinc/64/78/69/389647869.db2.gz BAJHTULJSYOWPA-CYBMUJFWSA-N 2 2 264.329 0.588 20 5 CCBDLP [NH3+]CCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000415094241 389656629 /nfs/dbraw/zinc/65/66/29/389656629.db2.gz DKQIFHRZLMLZRL-UHFFFAOYSA-N 2 2 265.317 0.461 20 5 CCBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)cc1 ZINC000415099421 389659907 /nfs/dbraw/zinc/65/99/07/389659907.db2.gz YJKCWNZWWUIINU-LBPRGKRZSA-N 2 2 251.286 0.673 20 5 CCBDLP O=[N+]([O-])CC[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000905173884 634819077 /nfs/dbraw/zinc/81/90/77/634819077.db2.gz HYCQSCSMMPSQPO-RYUDHWBXSA-N 2 2 257.334 0.231 20 5 CCBDLP C[N@@H+]1CCO[C@@H](CNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)C1 ZINC001162687435 802394583 /nfs/dbraw/zinc/39/45/83/802394583.db2.gz BTKNOVLAKNHUTI-LBPRGKRZSA-N 2 2 292.339 0.941 20 5 CCBDLP C[N@H+]1CCO[C@@H](CNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)C1 ZINC001162687435 802394593 /nfs/dbraw/zinc/39/45/93/802394593.db2.gz BTKNOVLAKNHUTI-LBPRGKRZSA-N 2 2 292.339 0.941 20 5 CCBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[NH2+]C[C@H]1CO ZINC001246304780 807216130 /nfs/dbraw/zinc/21/61/30/807216130.db2.gz IDKDIYNPFJVVAD-SCDSUCTJSA-N 2 2 279.340 0.696 20 5 CCBDLP