smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cccc([N+](=O)[O-])n3)C2)C1 ZINC001164776380 721339867 /nfs/dbraw/zinc/33/98/67/721339867.db2.gz AVKDYVGHEUSXDV-FQEVSTJZSA-N 1 1 401.467 2.714 20 5 HFBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cccc([N+](=O)[O-])n3)C2)C1 ZINC001164776380 721339870 /nfs/dbraw/zinc/33/98/70/721339870.db2.gz AVKDYVGHEUSXDV-FQEVSTJZSA-N 1 1 401.467 2.714 20 5 HFBDMO Cc1nc(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164900156 721510730 /nfs/dbraw/zinc/51/07/30/721510730.db2.gz OSDGJLYNXZJFLC-DZGCQCFKSA-N 1 1 407.833 2.828 20 5 HFBDMO Cc1nc(Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1[N+](=O)[O-] ZINC001164794347 721527484 /nfs/dbraw/zinc/52/74/84/721527484.db2.gz BZHHVQYTPRSWEI-YQQAZPJKSA-N 1 1 418.885 2.610 20 5 HFBDMO Cc1nc(Cl)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1[N+](=O)[O-] ZINC001164794347 721527486 /nfs/dbraw/zinc/52/74/86/721527486.db2.gz BZHHVQYTPRSWEI-YQQAZPJKSA-N 1 1 418.885 2.610 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)[C@H]2CCCO[C@H]12 ZINC001164796157 721528098 /nfs/dbraw/zinc/52/80/98/721528098.db2.gz WSXQNDLYNANOPE-KSZLIROESA-N 1 1 403.870 2.906 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)[C@H]2CCCO[C@H]12 ZINC001164796157 721528102 /nfs/dbraw/zinc/52/81/02/721528102.db2.gz WSXQNDLYNANOPE-KSZLIROESA-N 1 1 403.870 2.906 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cnc3ccc([N+](=O)[O-])cc3n2)[C@@H]2CCCO[C@@H]12 ZINC001164805226 721533683 /nfs/dbraw/zinc/53/36/83/721533683.db2.gz LITHDWFCERRPLQ-KCZVDYSFSA-N 1 1 420.473 2.801 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cnc3ccc([N+](=O)[O-])cc3n2)[C@@H]2CCCO[C@@H]12 ZINC001164805226 721533688 /nfs/dbraw/zinc/53/36/88/721533688.db2.gz LITHDWFCERRPLQ-KCZVDYSFSA-N 1 1 420.473 2.801 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cnc3ccc([N+](=O)[O-])cc3n2)[C@@H]2CCCO[C@H]12 ZINC001164805228 721533729 /nfs/dbraw/zinc/53/37/29/721533729.db2.gz LITHDWFCERRPLQ-SJBKTWHCSA-N 1 1 420.473 2.801 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cnc3ccc([N+](=O)[O-])cc3n2)[C@@H]2CCCO[C@H]12 ZINC001164805228 721533731 /nfs/dbraw/zinc/53/37/31/721533731.db2.gz LITHDWFCERRPLQ-SJBKTWHCSA-N 1 1 420.473 2.801 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cnc3ccc([N+](=O)[O-])cc3n2)[C@H]2CCCO[C@@H]12 ZINC001164805231 721533777 /nfs/dbraw/zinc/53/37/77/721533777.db2.gz LITHDWFCERRPLQ-TUNNFDKTSA-N 1 1 420.473 2.801 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cnc3ccc([N+](=O)[O-])cc3n2)[C@H]2CCCO[C@@H]12 ZINC001164805231 721533779 /nfs/dbraw/zinc/53/37/79/721533779.db2.gz LITHDWFCERRPLQ-TUNNFDKTSA-N 1 1 420.473 2.801 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cnc3ccc([N+](=O)[O-])cc3n2)[C@H]2CCCO[C@H]12 ZINC001164805234 721534035 /nfs/dbraw/zinc/53/40/35/721534035.db2.gz LITHDWFCERRPLQ-VWPQPMDRSA-N 1 1 420.473 2.801 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cnc3ccc([N+](=O)[O-])cc3n2)[C@H]2CCCO[C@H]12 ZINC001164805234 721534039 /nfs/dbraw/zinc/53/40/39/721534039.db2.gz LITHDWFCERRPLQ-VWPQPMDRSA-N 1 1 420.473 2.801 20 5 HFBDMO CCOc1nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164902605 721546257 /nfs/dbraw/zinc/54/62/57/721546257.db2.gz AKZAZHZWEUYWKD-RDJZCZTQSA-N 1 1 402.426 2.870 20 5 HFBDMO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2c(C)c([N+](=O)[O-])cc[n+]2[O-])CC1 ZINC001165022031 721842186 /nfs/dbraw/zinc/84/21/86/721842186.db2.gz NEYGFPGILPJBSF-UHFFFAOYSA-N 1 1 416.478 2.655 20 5 HFBDMO C[C@H]1C[C@@H](NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC[N@H+]1C ZINC000790771013 1078129213 /nfs/dbraw/zinc/12/92/13/1078129213.db2.gz UBWWQXWDLWCUHP-RYUDHWBXSA-N 1 1 411.300 2.908 20 5 HFBDMO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000790826168 1078157755 /nfs/dbraw/zinc/15/77/55/1078157755.db2.gz IMQLXMSOEJAKKW-NWDGAFQWSA-N 1 1 414.484 2.661 20 5 HFBDMO Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000790879545 1078169157 /nfs/dbraw/zinc/16/91/57/1078169157.db2.gz GYMBJBAIVOPMTI-RYUDHWBXSA-N 1 1 414.484 2.519 20 5 HFBDMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000793599490 1078220695 /nfs/dbraw/zinc/22/06/95/1078220695.db2.gz RNVYCPMYAVLWEF-OAQYLSRUSA-N 1 1 407.430 2.628 20 5 HFBDMO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000804720997 1078561198 /nfs/dbraw/zinc/56/11/98/1078561198.db2.gz ZPOYXERSVIIOLR-MRXNPFEDSA-N 1 1 414.418 2.653 20 5 HFBDMO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000804720997 1078561200 /nfs/dbraw/zinc/56/12/00/1078561200.db2.gz ZPOYXERSVIIOLR-MRXNPFEDSA-N 1 1 414.418 2.653 20 5 HFBDMO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000804720994 1078561240 /nfs/dbraw/zinc/56/12/40/1078561240.db2.gz ZPOYXERSVIIOLR-INIZCTEOSA-N 1 1 414.418 2.653 20 5 HFBDMO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000804720994 1078561246 /nfs/dbraw/zinc/56/12/46/1078561246.db2.gz ZPOYXERSVIIOLR-INIZCTEOSA-N 1 1 414.418 2.653 20 5 HFBDMO CN(c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000804815666 1078658217 /nfs/dbraw/zinc/65/82/17/1078658217.db2.gz XLAYKIXYGPEGJY-FOSCPWQOSA-N 1 1 407.414 2.950 20 5 HFBDMO COC(=O)c1cc([N+](=O)[O-])c(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1Cl ZINC000804820059 1078661518 /nfs/dbraw/zinc/66/15/18/1078661518.db2.gz YZGQSFIFPHEZDE-YHWZYXNKSA-N 1 1 424.885 2.530 20 5 HFBDMO COc1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC001130122225 1078991839 /nfs/dbraw/zinc/99/18/39/1078991839.db2.gz JUSVIYONYPXEIB-APWZRJJASA-N 1 1 411.458 2.959 20 5 HFBDMO O=C([C@@H]1CCC[N@H+]1C1CC1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000787301086 1076748119 /nfs/dbraw/zinc/74/81/19/1076748119.db2.gz ASOBGVDBPYNAFX-KRWDZBQOSA-N 1 1 412.412 2.889 20 5 HFBDMO Cn1cccc1[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000746679520 1076773624 /nfs/dbraw/zinc/77/36/24/1076773624.db2.gz OXNUDJRFEJQFSI-NRFANRHFSA-N 1 1 411.506 2.809 20 5 HFBDMO Cn1cccc1[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000746679520 1076773634 /nfs/dbraw/zinc/77/36/34/1076773634.db2.gz OXNUDJRFEJQFSI-NRFANRHFSA-N 1 1 411.506 2.809 20 5 HFBDMO Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000746691137 1076859871 /nfs/dbraw/zinc/85/98/71/1076859871.db2.gz UCVUPIZDRYRCQW-UHFFFAOYSA-N 1 1 417.285 2.573 20 5 HFBDMO C[C@@H]1C[N@@H+](CCN(C)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000788650009 1077225238 /nfs/dbraw/zinc/22/52/38/1077225238.db2.gz MOELYNMMSPQXBI-TXEJJXNPSA-N 1 1 415.288 2.930 20 5 HFBDMO C[C@@H]1C[N@H+](CCN(C)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000788650009 1077225242 /nfs/dbraw/zinc/22/52/42/1077225242.db2.gz MOELYNMMSPQXBI-TXEJJXNPSA-N 1 1 415.288 2.930 20 5 HFBDMO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000790926289 1077234708 /nfs/dbraw/zinc/23/47/08/1077234708.db2.gz KLOIXJHRTSQCOS-INIZCTEOSA-N 1 1 421.856 2.813 20 5 HFBDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000791582406 1077471662 /nfs/dbraw/zinc/47/16/62/1077471662.db2.gz GCUJCYNMAZDJPG-CJNGLKHVSA-N 1 1 400.401 2.516 20 5 HFBDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000791582406 1077471666 /nfs/dbraw/zinc/47/16/66/1077471666.db2.gz GCUJCYNMAZDJPG-CJNGLKHVSA-N 1 1 400.401 2.516 20 5 HFBDMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000789360933 1077537257 /nfs/dbraw/zinc/53/72/57/1077537257.db2.gz BBSHPKFVMKOQMQ-QAPCUYQASA-N 1 1 415.446 2.984 20 5 HFBDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000791981973 1077622363 /nfs/dbraw/zinc/62/23/63/1077622363.db2.gz MBTRPDDQFHUBQL-WMZOPIPTSA-N 1 1 422.441 2.646 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@H+]2CC[C@@H]3[C@H]2CC(=O)N3Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001170336559 1077947574 /nfs/dbraw/zinc/94/75/74/1077947574.db2.gz ZIENAZYQJMLCAS-QFIXIFRTSA-N 1 1 410.474 2.805 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@@H]3[C@H]2CC(=O)N3Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001170336557 1077947608 /nfs/dbraw/zinc/94/76/08/1077947608.db2.gz ZIENAZYQJMLCAS-NYSBEXSLSA-N 1 1 410.474 2.805 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@H+]2CCC[C@@H](NC(=O)C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC001170355255 1077949006 /nfs/dbraw/zinc/94/90/06/1077949006.db2.gz YIXHBIGZGPFZNK-CRAIPNDOSA-N 1 1 405.495 2.542 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2C[C@@H]3COC[C@]3(COc3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001170344286 1077954184 /nfs/dbraw/zinc/95/41/84/1077954184.db2.gz YCKUPSNTHDNBFY-CECAUBDESA-N 1 1 413.474 2.957 20 5 HFBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000746884906 1077965290 /nfs/dbraw/zinc/96/52/90/1077965290.db2.gz DLDKQWFOHKVQJL-XJKCOSOUSA-N 1 1 406.439 2.525 20 5 HFBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000790265509 1077990218 /nfs/dbraw/zinc/99/02/18/1077990218.db2.gz BGJZXCZHSUMFKJ-AWEZNQCLSA-N 1 1 410.902 2.641 20 5 HFBDMO C[N@H+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1Cc1ccccc1 ZINC000792943747 1078023084 /nfs/dbraw/zinc/02/30/84/1078023084.db2.gz TWQVZLSGKCJRNQ-GOSISDBHSA-N 1 1 400.454 2.921 20 5 HFBDMO CN1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1Cc1ccccc1 ZINC000792943747 1078023089 /nfs/dbraw/zinc/02/30/89/1078023089.db2.gz TWQVZLSGKCJRNQ-GOSISDBHSA-N 1 1 400.454 2.921 20 5 HFBDMO CN1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1Cc1ccccc1 ZINC000792943747 1078023094 /nfs/dbraw/zinc/02/30/94/1078023094.db2.gz TWQVZLSGKCJRNQ-GOSISDBHSA-N 1 1 400.454 2.921 20 5 HFBDMO COc1ccc([C@@H](C[NH+](C)C)NS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cc1 ZINC000790479837 1078041040 /nfs/dbraw/zinc/04/10/40/1078041040.db2.gz GOHAWSMVYFJDIZ-MRXNPFEDSA-N 1 1 411.455 2.632 20 5 HFBDMO CN1CC[NH+](CCCOc2ccc(NC(=O)c3csc([N+](=O)[O-])c3)cc2)CC1 ZINC001130741956 1080004778 /nfs/dbraw/zinc/00/47/78/1080004778.db2.gz GFJUQDYRNCXUSI-UHFFFAOYSA-N 1 1 404.492 2.925 20 5 HFBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000806855182 1080060147 /nfs/dbraw/zinc/06/01/47/1080060147.db2.gz BJOPNDAMWRLOKI-GFCCVEGCSA-N 1 1 411.300 2.909 20 5 HFBDMO CC[N@@H+](CCCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C1CCCCC1 ZINC001130786708 1080097155 /nfs/dbraw/zinc/09/71/55/1080097155.db2.gz QIPKJLRVJKTVQE-QGZVFWFLSA-N 1 1 420.510 2.953 20 5 HFBDMO CCOC(=O)C1C[N@H+](Cc2ccccc2)CCC1=Nc1nc(OC)ncc1[N+](=O)[O-] ZINC001170521993 1080492404 /nfs/dbraw/zinc/49/24/04/1080492404.db2.gz SODFIBMJBJRCRP-UHFFFAOYSA-N 1 1 413.434 2.528 20 5 HFBDMO CCOC(=O)C1C[N@@H+](Cc2ccccc2)CCC1=Nc1nc(OC)ncc1[N+](=O)[O-] ZINC001170521993 1080492406 /nfs/dbraw/zinc/49/24/06/1080492406.db2.gz SODFIBMJBJRCRP-UHFFFAOYSA-N 1 1 413.434 2.528 20 5 HFBDMO CCOC(=O)C1=C(Nc2cc([N+](=O)[O-])c3nncn3c2)CC[N@@H+](Cc2ccccc2)C1 ZINC001170522275 1080533252 /nfs/dbraw/zinc/53/32/52/1080533252.db2.gz GILQULGEHONZQF-UHFFFAOYSA-N 1 1 422.445 2.773 20 5 HFBDMO CCOC(=O)C1C[N@H+](Cc2ccccc2)CCC1=Nc1cc([N+](=O)[O-])c2nncn2c1 ZINC001170522275 1080533258 /nfs/dbraw/zinc/53/32/58/1080533258.db2.gz GILQULGEHONZQF-UHFFFAOYSA-N 1 1 422.445 2.773 20 5 HFBDMO CCOC(=O)C1C[N@@H+](Cc2ccccc2)CCC1=Nc1cc([N+](=O)[O-])c2nncn2c1 ZINC001170522275 1080533264 /nfs/dbraw/zinc/53/32/64/1080533264.db2.gz GILQULGEHONZQF-UHFFFAOYSA-N 1 1 422.445 2.773 20 5 HFBDMO Cc1nc(C[N@H+]2CCCC23CCN(c2c(C)c([N+](=O)[O-])cc[n+]2[O-])CC3)cs1 ZINC001164691319 719811142 /nfs/dbraw/zinc/81/11/42/719811142.db2.gz FXRSIBWVLOGIDH-UHFFFAOYSA-N 1 1 403.508 2.937 20 5 HFBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C)ncc1[N+](=O)[O-])CC2 ZINC001164719459 720113471 /nfs/dbraw/zinc/11/34/71/720113471.db2.gz XGKFAJJXROWJET-SFHVURJKSA-N 1 1 412.494 2.596 20 5 HFBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc([N+](=O)[O-])c(C)n1)CC2 ZINC001164710380 720151358 /nfs/dbraw/zinc/15/13/58/720151358.db2.gz AFIPUTLVAHACIB-GOSISDBHSA-N 1 1 412.494 2.596 20 5 HFBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(/C=C\N(C)C)c([N+](=O)[O-])cn1)C2 ZINC001164814998 720162221 /nfs/dbraw/zinc/16/22/21/720162221.db2.gz GLPIDIZWMWLHSK-QWURRGBTSA-N 1 1 415.538 2.707 20 5 HFBDMO COc1ncnc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1[N+](=O)[O-] ZINC001164844436 720690726 /nfs/dbraw/zinc/69/07/26/720690726.db2.gz RZWLXUPXFLYAHP-QGZVFWFLSA-N 1 1 413.478 2.653 20 5 HFBDMO O=[N+]([O-])c1ccc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1-c1ccccc1 ZINC001164746656 720802435 /nfs/dbraw/zinc/80/24/35/720802435.db2.gz MHLTVHBLPJMDPU-MSOLQXFVSA-N 1 1 418.457 2.789 20 5 HFBDMO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164744240 720810966 /nfs/dbraw/zinc/81/09/66/720810966.db2.gz IEWCUMMPRDPBRK-UWWQBHOKSA-N 1 1 417.901 2.614 20 5 HFBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cccc([N+](=O)[O-])n3)C2)C1 ZINC001164776383 721339635 /nfs/dbraw/zinc/33/96/35/721339635.db2.gz AVKDYVGHEUSXDV-HXUWFJFHSA-N 1 1 401.467 2.714 20 5 HFBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cccc([N+](=O)[O-])n3)C2)C1 ZINC001164776383 721339638 /nfs/dbraw/zinc/33/96/38/721339638.db2.gz AVKDYVGHEUSXDV-HXUWFJFHSA-N 1 1 401.467 2.714 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)ncc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]12 ZINC001164805136 721536405 /nfs/dbraw/zinc/53/64/05/721536405.db2.gz KZLNDRDAOKXMIE-LSBZLQRGSA-N 1 1 403.870 2.906 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)ncc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]12 ZINC001164805136 721536409 /nfs/dbraw/zinc/53/64/09/721536409.db2.gz KZLNDRDAOKXMIE-LSBZLQRGSA-N 1 1 403.870 2.906 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)[C@@H]2CCCO[C@H]12 ZINC001164807219 721549347 /nfs/dbraw/zinc/54/93/47/721549347.db2.gz QOPOZEJGJWHQMV-NJYVYQBISA-N 1 1 420.473 2.801 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)[C@@H]2CCCO[C@H]12 ZINC001164807219 721549352 /nfs/dbraw/zinc/54/93/52/721549352.db2.gz QOPOZEJGJWHQMV-NJYVYQBISA-N 1 1 420.473 2.801 20 5 HFBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971417 722113055 /nfs/dbraw/zinc/11/30/55/722113055.db2.gz CKBCMWJAHCIAJA-UWJYYQICSA-N 1 1 420.473 2.660 20 5 HFBDMO Cc1nn(C[N@@H+]2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000793701201 1078273861 /nfs/dbraw/zinc/27/38/61/1078273861.db2.gz CJLTYMFPBMVBSN-YOEHRIQHSA-N 1 1 416.482 2.937 20 5 HFBDMO Cc1nn(C[N@H+]2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000793701201 1078273866 /nfs/dbraw/zinc/27/38/66/1078273866.db2.gz CJLTYMFPBMVBSN-YOEHRIQHSA-N 1 1 416.482 2.937 20 5 HFBDMO CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CC[C@]3(CC[N@@H+](C)C3)C2)c1=S ZINC000793770845 1078307039 /nfs/dbraw/zinc/30/70/39/1078307039.db2.gz XFLIFZSTKHJYLD-IBGZPJMESA-N 1 1 402.524 2.994 20 5 HFBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000804527764 1078566353 /nfs/dbraw/zinc/56/63/53/1078566353.db2.gz SUTKVVMGFHAQRQ-KRWDZBQOSA-N 1 1 409.490 2.744 20 5 HFBDMO O=[N+]([O-])c1ccc(Br)c2c1CN(c1cc[nH+]c(N3CCOCC3)n1)CC2 ZINC000804702717 1078569245 /nfs/dbraw/zinc/56/92/45/1078569245.db2.gz FDQKFNDQEONWSI-UHFFFAOYSA-N 1 1 420.267 2.547 20 5 HFBDMO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000804813550 1078657742 /nfs/dbraw/zinc/65/77/42/1078657742.db2.gz RNPPLTPKKINEMR-VXGBXAGGSA-N 1 1 407.414 2.951 20 5 HFBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000787357637 1076795389 /nfs/dbraw/zinc/79/53/89/1076795389.db2.gz OFKMNJBCIBYIBU-CQSZACIVSA-N 1 1 422.482 2.921 20 5 HFBDMO CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN(C)[C@@H](C)C[NH+]2CCOCC2)c1=S ZINC000788379955 1077135371 /nfs/dbraw/zinc/13/53/71/1077135371.db2.gz YVRKMDNPAWNTAL-HNNXBMFYSA-N 1 1 420.539 2.619 20 5 HFBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C[C@H](C)O1 ZINC000791215143 1077333037 /nfs/dbraw/zinc/33/30/37/1077333037.db2.gz QQCWDFKIULWHKN-QLFBSQMISA-N 1 1 408.474 2.514 20 5 HFBDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C[C@H](C)O1 ZINC000791215143 1077333041 /nfs/dbraw/zinc/33/30/41/1077333041.db2.gz QQCWDFKIULWHKN-QLFBSQMISA-N 1 1 408.474 2.514 20 5 HFBDMO CN(C)c1cc(F)c(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000791206378 1077343386 /nfs/dbraw/zinc/34/33/86/1077343386.db2.gz VODUJZJRUDCCSZ-UHFFFAOYSA-N 1 1 416.453 2.562 20 5 HFBDMO CC(C)N1CC[NH+](CCCOC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000791592218 1077495141 /nfs/dbraw/zinc/49/51/41/1077495141.db2.gz HWPZEKSMKIBVER-UHFFFAOYSA-N 1 1 404.511 2.768 20 5 HFBDMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000791826790 1077575863 /nfs/dbraw/zinc/57/58/63/1077575863.db2.gz FKJFGXFPGCYDKJ-UTKZUKDTSA-N 1 1 408.458 2.726 20 5 HFBDMO COCCN1CCOC[C@@]2(CCC[N@H+]([C@@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])C2)C1 ZINC001170336534 1077947466 /nfs/dbraw/zinc/94/74/66/1077947466.db2.gz YUPNWJSATYUELM-AVRDEDQJSA-N 1 1 421.538 2.595 20 5 HFBDMO COCC[N@@H+]1CCOC[C@@]2(CCCN([C@@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])C2)C1 ZINC001170336534 1077947467 /nfs/dbraw/zinc/94/74/67/1077947467.db2.gz YUPNWJSATYUELM-AVRDEDQJSA-N 1 1 421.538 2.595 20 5 HFBDMO COCC[N@H+]1CCOC[C@@]2(CCCN([C@@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])C2)C1 ZINC001170336534 1077947468 /nfs/dbraw/zinc/94/74/68/1077947468.db2.gz YUPNWJSATYUELM-AVRDEDQJSA-N 1 1 421.538 2.595 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@H+]2CC[C@H]3[C@H]2CC(=O)N3Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001170336556 1077947656 /nfs/dbraw/zinc/94/76/56/1077947656.db2.gz ZIENAZYQJMLCAS-MFMILTCTSA-N 1 1 410.474 2.805 20 5 HFBDMO CCOC[C@@H]1C[N@@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])Cc2nnn(CC)c21 ZINC001170338417 1077952044 /nfs/dbraw/zinc/95/20/44/1077952044.db2.gz AKUIZEROMFERDH-ZBFHGGJFSA-N 1 1 403.483 2.782 20 5 HFBDMO CCOC[C@@H]1C[N@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])Cc2nnn(CC)c21 ZINC001170338417 1077952045 /nfs/dbraw/zinc/95/20/45/1077952045.db2.gz AKUIZEROMFERDH-ZBFHGGJFSA-N 1 1 403.483 2.782 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@@H+]2CCO[C@@H]3C[C@@H](C(=O)NC(C)C)C[C@H]32)c([N+](=O)[O-])c1 ZINC001170343977 1077954196 /nfs/dbraw/zinc/95/41/96/1077954196.db2.gz WADYUUFTHYJXEE-HIBPSGHXSA-N 1 1 405.495 2.538 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@H+]2CCO[C@@H]3C[C@@H](C(=O)NC(C)C)C[C@H]32)c([N+](=O)[O-])c1 ZINC001170343977 1077954197 /nfs/dbraw/zinc/95/41/97/1077954197.db2.gz WADYUUFTHYJXEE-HIBPSGHXSA-N 1 1 405.495 2.538 20 5 HFBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000790265510 1077990229 /nfs/dbraw/zinc/99/02/29/1077990229.db2.gz BGJZXCZHSUMFKJ-CQSZACIVSA-N 1 1 410.902 2.641 20 5 HFBDMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@H](C)N1C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC001130589005 1079568562 /nfs/dbraw/zinc/56/85/62/1079568562.db2.gz CMMODFBVQPJFFX-MXWKQRLJSA-N 1 1 417.247 2.753 20 5 HFBDMO COc1cc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)ncc1[N+](=O)[O-] ZINC001164695720 719890494 /nfs/dbraw/zinc/89/04/94/719890494.db2.gz SMWLZEPTCVFWNM-UHFFFAOYSA-N 1 1 404.492 2.931 20 5 HFBDMO Cc1nc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1[N+](=O)[O-] ZINC001164836606 720508776 /nfs/dbraw/zinc/50/87/76/720508776.db2.gz NHAHCBBXVANOCI-BZUAXINKSA-N 1 1 419.917 2.921 20 5 HFBDMO COc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)ccc1[N+](=O)[O-] ZINC001164841671 720519676 /nfs/dbraw/zinc/51/96/76/720519676.db2.gz ZJHPOAMJYWMZFM-YESZJQIVSA-N 1 1 400.483 2.573 20 5 HFBDMO COc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)ncc1[N+](=O)[O-] ZINC001164842600 720532367 /nfs/dbraw/zinc/53/23/67/720532367.db2.gz YQSKEICYUPKELL-BRWVUGGUSA-N 1 1 400.483 2.573 20 5 HFBDMO Cc1c(C)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncc1[N+](=O)[O-] ZINC001164748232 720833444 /nfs/dbraw/zinc/83/34/44/720833444.db2.gz SRTPLDLORCBDST-CEXWTWQISA-N 1 1 411.510 2.578 20 5 HFBDMO COCC[N@H+]1CCO[C@@H]2CN(c3ccc4c(ccc(Cl)c4[N+](=O)[O-])n3)CC[C@@H]2C1 ZINC001164856893 720861964 /nfs/dbraw/zinc/86/19/64/720861964.db2.gz PUHPCDWVCFPEAN-RDTXWAMCSA-N 1 1 420.897 2.970 20 5 HFBDMO COCC[N@H+]1CCO[C@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC[C@@H]2C1 ZINC001164865022 720888740 /nfs/dbraw/zinc/88/87/40/720888740.db2.gz XXXFACHBZBSSLW-QUCCMNQESA-N 1 1 412.490 2.830 20 5 HFBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164870587 721073613 /nfs/dbraw/zinc/07/36/13/721073613.db2.gz WISJBHLECJVCFO-HOTGVXAUSA-N 1 1 403.870 2.826 20 5 HFBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)c(Cl)cc4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164772629 721098607 /nfs/dbraw/zinc/09/86/07/721098607.db2.gz VJDGFNFWZCIUSA-OLZOCXBDSA-N 1 1 411.293 2.988 20 5 HFBDMO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC001164931429 721885612 /nfs/dbraw/zinc/88/56/12/721885612.db2.gz FEUMRUAFMZCRJI-QZTJIDSGSA-N 1 1 416.913 2.920 20 5 HFBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC001164931429 721885614 /nfs/dbraw/zinc/88/56/14/721885614.db2.gz FEUMRUAFMZCRJI-QZTJIDSGSA-N 1 1 416.913 2.920 20 5 HFBDMO COc1nc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)ncc1[N+](=O)[O-] ZINC001164938259 721920212 /nfs/dbraw/zinc/92/02/12/721920212.db2.gz KHKMIAUQCNNIDW-UHFFFAOYSA-N 1 1 413.478 2.573 20 5 HFBDMO CCc1cc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164967802 722076561 /nfs/dbraw/zinc/07/65/61/722076561.db2.gz XBTNCNBSKNBLJN-BGYRXZFFSA-N 1 1 409.490 2.914 20 5 HFBDMO O=[N+]([O-])c1cc(Cl)nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164982049 722100719 /nfs/dbraw/zinc/10/07/19/722100719.db2.gz MMJFDQLEIIJXKB-WBVHZDCISA-N 1 1 403.870 2.766 20 5 HFBDMO C[C@@H]1C[C@@H](NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC[N@H+]1C ZINC000790771011 1078129176 /nfs/dbraw/zinc/12/91/76/1078129176.db2.gz UBWWQXWDLWCUHP-NEPJUHHUSA-N 1 1 411.300 2.908 20 5 HFBDMO CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000790890471 1078172985 /nfs/dbraw/zinc/17/29/85/1078172985.db2.gz VSUQBAJWMDDIAM-HNNXBMFYSA-N 1 1 412.893 2.557 20 5 HFBDMO CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000790890471 1078172987 /nfs/dbraw/zinc/17/29/87/1078172987.db2.gz VSUQBAJWMDDIAM-HNNXBMFYSA-N 1 1 412.893 2.557 20 5 HFBDMO Cn1cc([C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC23CCOCC3)cn1 ZINC001170434022 1078201560 /nfs/dbraw/zinc/20/15/60/1078201560.db2.gz DGYOEZZIYXWEGM-KRWDZBQOSA-N 1 1 413.478 2.553 20 5 HFBDMO CC[NH+]1CCN(C(=O)CC2CCN(c3ccc([N+](=O)[O-])cc3COC)CC2)CC1 ZINC000747217977 1078671352 /nfs/dbraw/zinc/67/13/52/1078671352.db2.gz MLMADJWHELLZAY-UHFFFAOYSA-N 1 1 404.511 2.512 20 5 HFBDMO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000788460577 1077166656 /nfs/dbraw/zinc/16/66/56/1077166656.db2.gz FYNZWRJQVATLRH-GOSISDBHSA-N 1 1 418.494 2.719 20 5 HFBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000788460577 1077166658 /nfs/dbraw/zinc/16/66/58/1077166658.db2.gz FYNZWRJQVATLRH-GOSISDBHSA-N 1 1 418.494 2.719 20 5 HFBDMO Cc1cc(N2CCC(NC(=O)c3cc([N+](=O)[O-])c(N(C)C)cc3F)CC2)nc(C)[nH+]1 ZINC000791221951 1077334246 /nfs/dbraw/zinc/33/42/46/1077334246.db2.gz HIQCWPNUVCKORZ-UHFFFAOYSA-N 1 1 416.457 2.606 20 5 HFBDMO CC(C)N1CC[NH+](CCCOC(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000791822936 1077574099 /nfs/dbraw/zinc/57/40/99/1077574099.db2.gz AGKKNXMQQBXRKI-UHFFFAOYSA-N 1 1 414.300 2.930 20 5 HFBDMO COc1cc([N+](=O)[O-])c(C(=O)OCCC[NH+]2CCN(C(C)C)CC2)cc1SC ZINC000791840881 1077581318 /nfs/dbraw/zinc/58/13/18/1077581318.db2.gz AISUNIWRCIASQG-UHFFFAOYSA-N 1 1 411.524 2.898 20 5 HFBDMO NC(=O)C1=NO[C@@H](C[NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000789561739 1077681061 /nfs/dbraw/zinc/68/10/61/1077681061.db2.gz TYLSVJJFOLIJEZ-GFCCVEGCSA-N 1 1 404.810 2.760 20 5 HFBDMO CC[NH+](CC)CCOC(=O)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000789750733 1077782213 /nfs/dbraw/zinc/78/22/13/1077782213.db2.gz WBBSODDWLNBEIK-UHFFFAOYSA-N 1 1 421.475 2.894 20 5 HFBDMO C[C@@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC001170332912 1077945702 /nfs/dbraw/zinc/94/57/02/1077945702.db2.gz IXBDIAZTBXJQLG-SFHVURJKSA-N 1 1 408.502 2.938 20 5 HFBDMO COC(=O)[C@H]1CCC[N@H+](C2CCN([C@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])CC2)C1 ZINC001170355301 1077948966 /nfs/dbraw/zinc/94/89/66/1077948966.db2.gz ZHVBQNGGUDCIBX-AEFFLSMTSA-N 1 1 419.522 2.884 20 5 HFBDMO COC(=O)[C@@H]1CCC[N@H+](C2CCN([C@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])CC2)C1 ZINC001170355303 1077948979 /nfs/dbraw/zinc/94/89/79/1077948979.db2.gz ZHVBQNGGUDCIBX-SJLPKXTDSA-N 1 1 419.522 2.884 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2Cc3nccn3C[C@@H](Cn3cccn3)C2)c([N+](=O)[O-])c1 ZINC001170343558 1077953936 /nfs/dbraw/zinc/95/39/36/1077953936.db2.gz QOIOXJXJEUXMTF-DLBZAZTESA-N 1 1 410.478 2.760 20 5 HFBDMO COc1ccc(C[C@H](C)[N@@H+]2Cc3nccn3C[C@@H](Cn3cccn3)C2)c([N+](=O)[O-])c1 ZINC001170343558 1077953938 /nfs/dbraw/zinc/95/39/38/1077953938.db2.gz QOIOXJXJEUXMTF-DLBZAZTESA-N 1 1 410.478 2.760 20 5 HFBDMO Cc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000792877974 1078016013 /nfs/dbraw/zinc/01/60/13/1078016013.db2.gz YIBHQRRZSOTRDO-IBGZPJMESA-N 1 1 400.435 2.975 20 5 HFBDMO C[C@@H]1[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2I)[C@@H](C)C[N@H+]1C ZINC001130589409 1079569632 /nfs/dbraw/zinc/56/96/32/1079569632.db2.gz IURYXIOEHOUBFC-AXFHLTTASA-N 1 1 417.247 2.753 20 5 HFBDMO COc1cc(C(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)ccc1[N+](=O)[O-] ZINC001130733201 1079971458 /nfs/dbraw/zinc/97/14/58/1079971458.db2.gz MAVIGIHOXUYEEO-WOJBJXKFSA-N 1 1 411.458 2.719 20 5 HFBDMO O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001130733566 1079973091 /nfs/dbraw/zinc/97/30/91/1079973091.db2.gz SZDYIMMCJMIVJI-PMACEKPBSA-N 1 1 417.412 2.989 20 5 HFBDMO O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001130733569 1079973142 /nfs/dbraw/zinc/97/31/42/1079973142.db2.gz SZDYIMMCJMIVJI-WOJBJXKFSA-N 1 1 417.412 2.989 20 5 HFBDMO CC(C)C[N@@H+](C)CCCNC(=O)c1ccc(I)c([N+](=O)[O-])c1 ZINC001130730070 1080000300 /nfs/dbraw/zinc/00/03/00/1080000300.db2.gz HSKRHFQDVUFAQJ-UHFFFAOYSA-N 1 1 419.263 2.907 20 5 HFBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164839090 720518786 /nfs/dbraw/zinc/51/87/86/720518786.db2.gz SRDIZPVLGVSCBQ-ARFHVFGLSA-N 1 1 419.917 2.921 20 5 HFBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164839095 720518932 /nfs/dbraw/zinc/51/89/32/720518932.db2.gz SRDIZPVLGVSCBQ-OWCLPIDISA-N 1 1 419.917 2.921 20 5 HFBDMO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164744239 720810831 /nfs/dbraw/zinc/81/08/31/720810831.db2.gz IEWCUMMPRDPBRK-QILLFSRXSA-N 1 1 417.901 2.614 20 5 HFBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164749588 720832699 /nfs/dbraw/zinc/83/26/99/720832699.db2.gz WKKHEJCOHFHUOO-CEXWTWQISA-N 1 1 411.510 2.578 20 5 HFBDMO COCC[N@H+]1CCO[C@@H]2CN(c3cc(C)c4cc([N+](=O)[O-])ccc4n3)CC[C@@H]2C1 ZINC001164853723 720843801 /nfs/dbraw/zinc/84/38/01/720843801.db2.gz OSXVMRDVWYWJJQ-OXQOHEQNSA-N 1 1 400.479 2.625 20 5 HFBDMO Cc1cc([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1Cl ZINC001164888342 721401449 /nfs/dbraw/zinc/40/14/49/721401449.db2.gz OIWIBKNGHOCMIV-UZLBHIALSA-N 1 1 423.945 2.717 20 5 HFBDMO CSc1nc(Cl)nc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164785040 721413605 /nfs/dbraw/zinc/41/36/05/721413605.db2.gz MEQVDCNPDZJRMF-AOOOYVTPSA-N 1 1 412.928 2.785 20 5 HFBDMO CSc1nc(Cl)nc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164785040 721413608 /nfs/dbraw/zinc/41/36/08/721413608.db2.gz MEQVDCNPDZJRMF-AOOOYVTPSA-N 1 1 412.928 2.785 20 5 HFBDMO COc1nc(C)c([N+](=O)[O-])c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164791528 721495357 /nfs/dbraw/zinc/49/53/57/721495357.db2.gz CXTVRDZPZSRZEM-UHFFFAOYSA-N 1 1 412.494 2.978 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(Cl)c2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC001164795695 721528514 /nfs/dbraw/zinc/52/85/14/721528514.db2.gz RRJOTORFFUPORF-NUJGCVRESA-N 1 1 403.870 2.906 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(Cl)c2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC001164795695 721528519 /nfs/dbraw/zinc/52/85/19/721528519.db2.gz RRJOTORFFUPORF-NUJGCVRESA-N 1 1 403.870 2.906 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cc([N+](=O)[O-])ccc32)[C@H]2CCCO[C@H]12 ZINC001164805101 721549162 /nfs/dbraw/zinc/54/91/62/721549162.db2.gz KYLROGSPFXYOBM-HBMCJLEFSA-N 1 1 420.473 2.801 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cc([N+](=O)[O-])ccc32)[C@H]2CCCO[C@H]12 ZINC001164805101 721549165 /nfs/dbraw/zinc/54/91/65/721549165.db2.gz KYLROGSPFXYOBM-HBMCJLEFSA-N 1 1 420.473 2.801 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)[C@@H]2CCCO[C@H]12 ZINC001164809901 721563342 /nfs/dbraw/zinc/56/33/42/721563342.db2.gz YAHCURONFUXHQQ-BLIXFSHQSA-N 1 1 408.462 2.734 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)[C@@H]2CCCO[C@H]12 ZINC001164805391 721568128 /nfs/dbraw/zinc/56/81/28/721568128.db2.gz NKXBOJBCXADGKO-POAQFYNOSA-N 1 1 408.462 2.734 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)[C@@H]2CCCO[C@H]12 ZINC001164805391 721568131 /nfs/dbraw/zinc/56/81/31/721568131.db2.gz NKXBOJBCXADGKO-POAQFYNOSA-N 1 1 408.462 2.734 20 5 HFBDMO Nc1cc([N+](=O)[O-])cnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906487 721721299 /nfs/dbraw/zinc/72/12/99/721721299.db2.gz MIVQDWWTFCBYBS-GOSISDBHSA-N 1 1 404.421 2.705 20 5 HFBDMO COc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165019697 721812471 /nfs/dbraw/zinc/81/24/71/721812471.db2.gz BLLLPPVPQIZLAF-RYQLBKOJSA-N 1 1 412.494 2.834 20 5 HFBDMO O=[N+]([O-])c1cc(Cl)cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164979789 722110808 /nfs/dbraw/zinc/11/08/08/722110808.db2.gz QARZBAIMOHEPJE-NVXWUHKLSA-N 1 1 403.870 2.766 20 5 HFBDMO Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000790879547 1078169100 /nfs/dbraw/zinc/16/91/00/1078169100.db2.gz GYMBJBAIVOPMTI-VXGBXAGGSA-N 1 1 414.484 2.519 20 5 HFBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC001170435604 1078213799 /nfs/dbraw/zinc/21/37/99/1078213799.db2.gz RDAJYTCYUIZRAV-KXBFYZLASA-N 1 1 413.478 2.552 20 5 HFBDMO O=[N+]([O-])c1c(N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)nc2ccccn21 ZINC000804808462 1078637549 /nfs/dbraw/zinc/63/75/49/1078637549.db2.gz USOMJWVRCHSEMR-IBGZPJMESA-N 1 1 406.490 2.639 20 5 HFBDMO CCOC(=O)[C@H]1[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CCN1C(=O)OC(C)(C)C ZINC000788738899 1077286147 /nfs/dbraw/zinc/28/61/47/1077286147.db2.gz MCQMDHHPLJUOLG-DOTOQJQBSA-N 1 1 423.466 2.634 20 5 HFBDMO CCN1CC[NH+](Cc2ccc(NC(=O)c3cc([N+](=O)[O-])c(F)cc3N)cc2)CC1 ZINC000791322878 1077373525 /nfs/dbraw/zinc/37/35/25/1077373525.db2.gz OPQTYXJBWQXTCW-UHFFFAOYSA-N 1 1 401.442 2.706 20 5 HFBDMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000789360937 1077537328 /nfs/dbraw/zinc/53/73/28/1077537328.db2.gz BBSHPKFVMKOQMQ-YJBOKZPZSA-N 1 1 415.446 2.984 20 5 HFBDMO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)OCCC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000792204232 1077744795 /nfs/dbraw/zinc/74/47/95/1077744795.db2.gz VQHHWMITWIVGMO-UHFFFAOYSA-N 1 1 421.475 2.813 20 5 HFBDMO O=[N+]([O-])c1c(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ncnc1N1CCOCC1 ZINC001170330770 1077945005 /nfs/dbraw/zinc/94/50/05/1077945005.db2.gz FXIYBLNQKAODGB-LDLYASANSA-N 1 1 424.505 2.829 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@@H+]2C[C@H]3CN(C(=O)c4cccnc4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170343513 1077953948 /nfs/dbraw/zinc/95/39/48/1077953948.db2.gz PMLUHZWGZVFXQN-LZQZEXGQSA-N 1 1 410.474 2.633 20 5 HFBDMO CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000747095489 1078039302 /nfs/dbraw/zinc/03/93/02/1078039302.db2.gz SRAWRARKQTVVFA-CQSZACIVSA-N 1 1 424.473 2.587 20 5 HFBDMO CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000747095489 1078039305 /nfs/dbraw/zinc/03/93/05/1078039305.db2.gz SRAWRARKQTVVFA-CQSZACIVSA-N 1 1 424.473 2.587 20 5 HFBDMO C[C@@H]1[C@H](C)N(C(=O)c2cc(I)cc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1C ZINC001130589002 1079568577 /nfs/dbraw/zinc/56/85/77/1079568577.db2.gz CMMODFBVQPJFFX-AXFHLTTASA-N 1 1 417.247 2.753 20 5 HFBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000807544346 1080759217 /nfs/dbraw/zinc/75/92/17/1080759217.db2.gz QARWMCHJRFGQAE-PBHICJAKSA-N 1 1 414.437 2.760 20 5 HFBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)ncc3[N+](=O)[O-])CC[C@@H]21 ZINC001164832430 720509086 /nfs/dbraw/zinc/50/90/86/720509086.db2.gz AQBZNKHBFSPOMW-KKUMJFAQSA-N 1 1 405.890 2.613 20 5 HFBDMO COc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c([N+](=O)[O-])c1 ZINC001164835435 720536772 /nfs/dbraw/zinc/53/67/72/720536772.db2.gz HJFUTQAYIXDVED-XYJFISCASA-N 1 1 400.483 2.573 20 5 HFBDMO COc1cc(C)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1[N+](=O)[O-] ZINC001164842953 720536805 /nfs/dbraw/zinc/53/68/05/720536805.db2.gz ZFCOPEXBEFVMBF-FGTMMUONSA-N 1 1 414.510 2.881 20 5 HFBDMO COCC[N@H+]1CCO[C@@H]2CN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164862945 720889468 /nfs/dbraw/zinc/88/94/68/720889468.db2.gz SDBDLLNQCMMIMT-DNVCBOLYSA-N 1 1 420.897 2.970 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc([N+](=O)[O-])cc(Cl)n2)[C@H]2CCCO[C@@H]12 ZINC001164795945 721527299 /nfs/dbraw/zinc/52/72/99/721527299.db2.gz VCSJQFVGMRRICG-FRQCXROJSA-N 1 1 403.870 2.906 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc([N+](=O)[O-])cc(Cl)n2)[C@H]2CCCO[C@@H]12 ZINC001164795945 721527301 /nfs/dbraw/zinc/52/73/01/721527301.db2.gz VCSJQFVGMRRICG-FRQCXROJSA-N 1 1 403.870 2.906 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)ncc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC001164805134 721536737 /nfs/dbraw/zinc/53/67/37/721536737.db2.gz KZLNDRDAOKXMIE-BJZITVGISA-N 1 1 403.870 2.906 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)ncc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC001164805134 721536741 /nfs/dbraw/zinc/53/67/41/721536741.db2.gz KZLNDRDAOKXMIE-BJZITVGISA-N 1 1 403.870 2.906 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)[C@@H]2CCCO[C@@H]12 ZINC001164807218 721549078 /nfs/dbraw/zinc/54/90/78/721549078.db2.gz QOPOZEJGJWHQMV-NJDAHSKKSA-N 1 1 420.473 2.801 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)[C@@H]2CCCO[C@@H]12 ZINC001164807218 721549084 /nfs/dbraw/zinc/54/90/84/721549084.db2.gz QOPOZEJGJWHQMV-NJDAHSKKSA-N 1 1 420.473 2.801 20 5 HFBDMO Cc1cn(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000772829100 1078100774 /nfs/dbraw/zinc/10/07/74/1078100774.db2.gz RGRDNTNQQQRTTR-PKOBYXMFSA-N 1 1 411.506 2.762 20 5 HFBDMO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000790819957 1078155120 /nfs/dbraw/zinc/15/51/20/1078155120.db2.gz NNOAWCGAJTZSRE-INIZCTEOSA-N 1 1 422.463 2.701 20 5 HFBDMO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001170434313 1078212717 /nfs/dbraw/zinc/21/27/17/1078212717.db2.gz GNCPUSMXYAGUBL-UHFFFAOYSA-N 1 1 418.494 2.863 20 5 HFBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001170434313 1078212720 /nfs/dbraw/zinc/21/27/20/1078212720.db2.gz GNCPUSMXYAGUBL-UHFFFAOYSA-N 1 1 418.494 2.863 20 5 HFBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804808517 1078637471 /nfs/dbraw/zinc/63/74/71/1078637471.db2.gz IPCGITXVGABPQF-GOSISDBHSA-N 1 1 411.462 2.900 20 5 HFBDMO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000804813549 1078657751 /nfs/dbraw/zinc/65/77/51/1078657751.db2.gz RNPPLTPKKINEMR-RYUDHWBXSA-N 1 1 407.414 2.951 20 5 HFBDMO CCCNC(=O)OC[C@H]1CCCC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000805774965 1079248391 /nfs/dbraw/zinc/24/83/91/1079248391.db2.gz WQGWCMJKLJWIRJ-MRXNPFEDSA-N 1 1 420.466 2.884 20 5 HFBDMO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000805765672 1079266049 /nfs/dbraw/zinc/26/60/49/1079266049.db2.gz XLTBXQCTKYAZDB-INIZCTEOSA-N 1 1 406.483 2.963 20 5 HFBDMO Cc1cc(C(=O)NCC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC001170073080 1076800805 /nfs/dbraw/zinc/80/08/05/1076800805.db2.gz QWGPDFXPYYVGTI-KRWDZBQOSA-N 1 1 410.474 2.538 20 5 HFBDMO C[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCN(c2cnccn2)CC1 ZINC000789370933 1077542214 /nfs/dbraw/zinc/54/22/14/1077542214.db2.gz ITVWTUFSIOLCND-UHFFFAOYSA-N 1 1 404.858 2.578 20 5 HFBDMO CC(C)N1CC[NH+](CCCOC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000791932453 1077598276 /nfs/dbraw/zinc/59/82/76/1077598276.db2.gz VLSVIDOYUXCXOQ-UHFFFAOYSA-N 1 1 414.300 2.930 20 5 HFBDMO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791940453 1077600459 /nfs/dbraw/zinc/60/04/59/1077600459.db2.gz TUFBOYDOZANOHT-KDURUIRLSA-N 1 1 405.458 2.535 20 5 HFBDMO O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791940415 1077600501 /nfs/dbraw/zinc/60/05/01/1077600501.db2.gz SDSVOSFUUAYCHT-KGVIQGDOSA-N 1 1 420.469 2.678 20 5 HFBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000789513115 1077604727 /nfs/dbraw/zinc/60/47/27/1077604727.db2.gz GPNSXZUJZCTJNQ-DOTOQJQBSA-N 1 1 404.419 2.828 20 5 HFBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000789513116 1077604798 /nfs/dbraw/zinc/60/47/98/1077604798.db2.gz GPNSXZUJZCTJNQ-NVXWUHKLSA-N 1 1 404.419 2.828 20 5 HFBDMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000792215353 1077769029 /nfs/dbraw/zinc/76/90/29/1077769029.db2.gz KRFFUBQEUHJZNT-UHFFFAOYSA-N 1 1 420.510 2.889 20 5 HFBDMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000792367798 1077818180 /nfs/dbraw/zinc/81/81/80/1077818180.db2.gz HWHZHAJXFRTQSS-OAHLLOKOSA-N 1 1 416.865 2.825 20 5 HFBDMO CCOC(=O)c1ccc(N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)c([N+](=O)[O-])c1 ZINC001170167499 1077869166 /nfs/dbraw/zinc/86/91/66/1077869166.db2.gz KRTJNQKGBDDLRJ-UHFFFAOYSA-N 1 1 413.434 2.640 20 5 HFBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+](CCO)Cc2ccc(Br)s2)cc1 ZINC000792485352 1077878422 /nfs/dbraw/zinc/87/84/22/1077878422.db2.gz XVRCXVHVFIIPGM-CQSZACIVSA-N 1 1 401.282 2.947 20 5 HFBDMO C[C@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC001170332910 1077945670 /nfs/dbraw/zinc/94/56/70/1077945670.db2.gz IXBDIAZTBXJQLG-GOSISDBHSA-N 1 1 408.502 2.938 20 5 HFBDMO COc1ccc(C[C@@H](C)[NH+]2CCN(CCNC(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001170335981 1077947170 /nfs/dbraw/zinc/94/71/70/1077947170.db2.gz SMAPRDAWGXWPNT-MRXNPFEDSA-N 1 1 422.526 2.677 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@@H+]2C[C@@H](N3CCCC3=O)[C@H]3OCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170336373 1077947446 /nfs/dbraw/zinc/94/74/46/1077947446.db2.gz XDAMHEDDXNQODY-LXGVVRJTSA-N 1 1 417.506 2.636 20 5 HFBDMO COC(=O)[C@@H]1CCC[N@H+](C2CCN([C@@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])CC2)C1 ZINC001170355302 1077948907 /nfs/dbraw/zinc/94/89/07/1077948907.db2.gz ZHVBQNGGUDCIBX-FUHWJXTLSA-N 1 1 419.522 2.884 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2C[C@H]3CN(Cc4ccncc4)C(=O)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170338844 1077952072 /nfs/dbraw/zinc/95/20/72/1077952072.db2.gz DMNMYHGGHFNNPH-QSFXBCCZSA-N 1 1 410.474 2.520 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@H+]2CCCn3cnc(Cn4cccn4)c3C2)c([N+](=O)[O-])c1 ZINC001170342033 1077953684 /nfs/dbraw/zinc/95/36/84/1077953684.db2.gz LNQMBUVPJADONB-MRXNPFEDSA-N 1 1 410.478 2.882 20 5 HFBDMO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000772824742 1078039686 /nfs/dbraw/zinc/03/96/86/1078039686.db2.gz CBSCKJRSURNORZ-LAUBAEHRSA-N 1 1 409.490 2.725 20 5 HFBDMO COc1cc(C(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)ccc1[N+](=O)[O-] ZINC001130733200 1079971393 /nfs/dbraw/zinc/97/13/93/1079971393.db2.gz MAVIGIHOXUYEEO-VQTJNVASSA-N 1 1 411.458 2.719 20 5 HFBDMO CC(C)C[N@@H+](C)CCCNC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC001130729584 1079999999 /nfs/dbraw/zinc/99/99/99/1079999999.db2.gz CWZIQHFIAWGQNJ-UHFFFAOYSA-N 1 1 415.332 2.888 20 5 HFBDMO C[N@@H+]1CCN(C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)[C@@H](Cc2ccccc2)C1 ZINC001130751008 1080020154 /nfs/dbraw/zinc/02/01/54/1080020154.db2.gz ASWWDDZDEHDTCW-NRFANRHFSA-N 1 1 419.485 2.839 20 5 HFBDMO C[N@H+]1CCN(C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)[C@@H](Cc2ccccc2)C1 ZINC001130751008 1080020165 /nfs/dbraw/zinc/02/01/65/1080020165.db2.gz ASWWDDZDEHDTCW-NRFANRHFSA-N 1 1 419.485 2.839 20 5 HFBDMO COc1nc(C)c([N+](=O)[O-])c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164699208 719891989 /nfs/dbraw/zinc/89/19/89/719891989.db2.gz XXTAGOLCPQFMSK-UHFFFAOYSA-N 1 1 419.507 2.635 20 5 HFBDMO COc1nc(C)c([N+](=O)[O-])c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164699208 719891991 /nfs/dbraw/zinc/89/19/91/719891991.db2.gz XXTAGOLCPQFMSK-UHFFFAOYSA-N 1 1 419.507 2.635 20 5 HFBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1)C2 ZINC001164815000 720162820 /nfs/dbraw/zinc/16/28/20/720162820.db2.gz GLPIDIZWMWLHSK-WVDRJWPYSA-N 1 1 415.538 2.707 20 5 HFBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1)C2 ZINC001164814999 720163391 /nfs/dbraw/zinc/16/33/91/720163391.db2.gz GLPIDIZWMWLHSK-UDNXBLAOSA-N 1 1 415.538 2.707 20 5 HFBDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc3c(cccc3[N+](=O)[O-])n1)CCC2 ZINC001164813554 720222699 /nfs/dbraw/zinc/22/26/99/720222699.db2.gz PAGXNKGRCRGNAB-UHFFFAOYSA-N 1 1 422.489 2.950 20 5 HFBDMO COc1cc(C)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1[N+](=O)[O-] ZINC001164842962 720536537 /nfs/dbraw/zinc/53/65/37/720536537.db2.gz ZFCOPEXBEFVMBF-KZNAEPCWSA-N 1 1 414.510 2.881 20 5 HFBDMO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164744120 720811604 /nfs/dbraw/zinc/81/16/04/720811604.db2.gz HKUOQRYBMRAOOD-DJIMGWMZSA-N 1 1 417.901 2.614 20 5 HFBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164749600 720833085 /nfs/dbraw/zinc/83/30/85/720833085.db2.gz WKKHEJCOHFHUOO-IPMKNSEASA-N 1 1 411.510 2.578 20 5 HFBDMO Cc1c(C)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncc1[N+](=O)[O-] ZINC001164748244 720833694 /nfs/dbraw/zinc/83/36/94/720833694.db2.gz SRTPLDLORCBDST-IPMKNSEASA-N 1 1 411.510 2.578 20 5 HFBDMO COCC[N@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC[C@@H]2C1 ZINC001164865024 720888986 /nfs/dbraw/zinc/88/89/86/720888986.db2.gz XXXFACHBZBSSLW-UYAOXDASSA-N 1 1 412.490 2.830 20 5 HFBDMO CCOC(=O)c1ccnc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)c1[N+](=O)[O-] ZINC001164856537 721014927 /nfs/dbraw/zinc/01/49/27/721014927.db2.gz AYMTZHUSECIQCW-CQSZACIVSA-N 1 1 416.482 2.784 20 5 HFBDMO O=[N+]([O-])c1cc(C(F)(F)N2CCc3[nH+]cc(Cn4cccn4)n3CC2)cnc1Cl ZINC001164863521 721031289 /nfs/dbraw/zinc/03/12/89/721031289.db2.gz ULMKGKJUGJUYCA-UHFFFAOYSA-N 1 1 423.811 2.692 20 5 HFBDMO Cc1cc([N+](=O)[O-])c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1Cl ZINC001164866837 721072814 /nfs/dbraw/zinc/07/28/14/721072814.db2.gz GFZPKOVLPWBYJQ-JKSUJKDBSA-N 1 1 403.870 2.826 20 5 HFBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cccc([N+](=O)[O-])n1)CC2 ZINC001164786877 721453955 /nfs/dbraw/zinc/45/39/55/721453955.db2.gz OHKAIGSZMXKTCQ-SFHVURJKSA-N 1 1 404.511 2.724 20 5 HFBDMO Cc1nc(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164900162 721511076 /nfs/dbraw/zinc/51/10/76/721511076.db2.gz OSDGJLYNXZJFLC-HIFRSBDPSA-N 1 1 407.833 2.828 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164796159 721527994 /nfs/dbraw/zinc/52/79/94/721527994.db2.gz WSXQNDLYNANOPE-KZNAEPCWSA-N 1 1 403.870 2.906 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164796159 721528002 /nfs/dbraw/zinc/52/80/02/721528002.db2.gz WSXQNDLYNANOPE-KZNAEPCWSA-N 1 1 403.870 2.906 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)[C@@H]2CCCO[C@@H]21 ZINC001164796158 721528315 /nfs/dbraw/zinc/52/83/15/721528315.db2.gz WSXQNDLYNANOPE-KURKYZTESA-N 1 1 403.870 2.906 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)[C@@H]2CCCO[C@@H]21 ZINC001164796158 721528319 /nfs/dbraw/zinc/52/83/19/721528319.db2.gz WSXQNDLYNANOPE-KURKYZTESA-N 1 1 403.870 2.906 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cc([N+](=O)[O-])ccc32)[C@@H]2CCCO[C@H]12 ZINC001164805108 721548912 /nfs/dbraw/zinc/54/89/12/721548912.db2.gz KYLROGSPFXYOBM-NJYVYQBISA-N 1 1 420.473 2.801 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cc([N+](=O)[O-])ccc32)[C@@H]2CCCO[C@H]12 ZINC001164805108 721548913 /nfs/dbraw/zinc/54/89/13/721548913.db2.gz KYLROGSPFXYOBM-NJYVYQBISA-N 1 1 420.473 2.801 20 5 HFBDMO Nc1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ncc1[N+](=O)[O-] ZINC001164906800 721711544 /nfs/dbraw/zinc/71/15/44/721711544.db2.gz OKVMWTPUHVFQIA-GOSISDBHSA-N 1 1 404.421 2.705 20 5 HFBDMO Nc1cc([N+](=O)[O-])cnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906489 721721717 /nfs/dbraw/zinc/72/17/17/721721717.db2.gz MIVQDWWTFCBYBS-SFHVURJKSA-N 1 1 404.421 2.705 20 5 HFBDMO O=[N+]([O-])c1cnc(Cl)nc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164961926 722052543 /nfs/dbraw/zinc/05/25/43/722052543.db2.gz YXSIAWVNWXHGFL-UHFFFAOYSA-N 1 1 418.885 2.552 20 5 HFBDMO COc1nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)ccc1[N+](=O)[O-] ZINC001164959514 722053986 /nfs/dbraw/zinc/05/39/86/722053986.db2.gz LRKBFWSBEAHMGI-UHFFFAOYSA-N 1 1 413.478 2.512 20 5 HFBDMO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978381 722101327 /nfs/dbraw/zinc/10/13/27/722101327.db2.gz GTGYGWPLYDCWDK-MAUKXSAKSA-N 1 1 403.870 2.766 20 5 HFBDMO O=[N+]([O-])c1ccc2ncnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164973176 722112383 /nfs/dbraw/zinc/11/23/83/722112383.db2.gz GTEBHMPFDURTHC-LAUBAEHRSA-N 1 1 420.473 2.660 20 5 HFBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971416 722112847 /nfs/dbraw/zinc/11/28/47/722112847.db2.gz CKBCMWJAHCIAJA-UTKZUKDTSA-N 1 1 420.473 2.660 20 5 HFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OC[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000793206644 1078105699 /nfs/dbraw/zinc/10/56/99/1078105699.db2.gz ZKBBJSUSVVAWEB-ZDUSSCGKSA-N 1 1 401.257 2.932 20 5 HFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OC[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000793206644 1078105703 /nfs/dbraw/zinc/10/57/03/1078105703.db2.gz ZKBBJSUSVVAWEB-ZDUSSCGKSA-N 1 1 401.257 2.932 20 5 HFBDMO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000790824061 1078157212 /nfs/dbraw/zinc/15/72/12/1078157212.db2.gz IWIMPIYTGCMFMQ-LBPRGKRZSA-N 1 1 414.484 2.663 20 5 HFBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000804868752 1078692324 /nfs/dbraw/zinc/69/23/24/1078692324.db2.gz CZKFVOQFSMWAHS-IBGZPJMESA-N 1 1 400.435 2.661 20 5 HFBDMO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788570953 1077209376 /nfs/dbraw/zinc/20/93/76/1077209376.db2.gz HMTHBHDZHRZMQB-UHFFFAOYSA-N 1 1 404.492 2.915 20 5 HFBDMO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000790926291 1077234668 /nfs/dbraw/zinc/23/46/68/1077234668.db2.gz KLOIXJHRTSQCOS-MRXNPFEDSA-N 1 1 421.856 2.813 20 5 HFBDMO CN(C)c1cc(F)c(C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000791378589 1077387534 /nfs/dbraw/zinc/38/75/34/1077387534.db2.gz LSHUWLKAWUDEFG-UHFFFAOYSA-N 1 1 403.414 2.552 20 5 HFBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)[C@@H](C)C1 ZINC000791366527 1077394752 /nfs/dbraw/zinc/39/47/52/1077394752.db2.gz JSRABTRULDSERV-YOEHRIQHSA-N 1 1 410.490 2.667 20 5 HFBDMO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000791582410 1077471623 /nfs/dbraw/zinc/47/16/23/1077471623.db2.gz GCUJCYNMAZDJPG-XJKSGUPXSA-N 1 1 400.401 2.516 20 5 HFBDMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000791582410 1077471624 /nfs/dbraw/zinc/47/16/24/1077471624.db2.gz GCUJCYNMAZDJPG-XJKSGUPXSA-N 1 1 400.401 2.516 20 5 HFBDMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000791828922 1077576979 /nfs/dbraw/zinc/57/69/79/1077576979.db2.gz RATXRZXLHCZQKM-LJQANCHMSA-N 1 1 424.501 2.683 20 5 HFBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789524537 1077620999 /nfs/dbraw/zinc/62/09/99/1077620999.db2.gz GGYDCEGRFDSXCM-LJQANCHMSA-N 1 1 414.437 2.795 20 5 HFBDMO C[C@@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000792063636 1077670559 /nfs/dbraw/zinc/67/05/59/1077670559.db2.gz NGVRWLGIHILVBI-OAHLLOKOSA-N 1 1 406.483 2.715 20 5 HFBDMO CC(C)(C)OC(=O)NCCC(N)=[NH+]OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000789646152 1077717977 /nfs/dbraw/zinc/71/79/77/1077717977.db2.gz ZGRSKGUORQYVBT-UHFFFAOYSA-N 1 1 415.834 2.600 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@@H](Oc3nc(C)cc(OC)n3)C2)c([N+](=O)[O-])c1 ZINC001170355628 1077949200 /nfs/dbraw/zinc/94/92/00/1077949200.db2.gz MXIRVWBXPVRFAK-WMLDXEAASA-N 1 1 402.451 2.795 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@@H+]2CCCn3c(CN(C)C(C)C)nnc3C2)c([N+](=O)[O-])c1 ZINC001170343788 1077953882 /nfs/dbraw/zinc/95/38/82/1077953882.db2.gz SSIVHGYDLQMSMN-MRXNPFEDSA-N 1 1 416.526 2.872 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@H+]2CCCn3c(CN(C)C(C)C)nnc3C2)c([N+](=O)[O-])c1 ZINC001170343788 1077953884 /nfs/dbraw/zinc/95/38/84/1077953884.db2.gz SSIVHGYDLQMSMN-MRXNPFEDSA-N 1 1 416.526 2.872 20 5 HFBDMO C[N@@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000790452213 1078035792 /nfs/dbraw/zinc/03/57/92/1078035792.db2.gz XAZYMPMCIJJMDS-AWEZNQCLSA-N 1 1 420.329 2.756 20 5 HFBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000790452213 1078035794 /nfs/dbraw/zinc/03/57/94/1078035794.db2.gz XAZYMPMCIJJMDS-AWEZNQCLSA-N 1 1 420.329 2.756 20 5 HFBDMO COc1cc(C(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)ccc1[N+](=O)[O-] ZINC001130733199 1079971439 /nfs/dbraw/zinc/97/14/39/1079971439.db2.gz MAVIGIHOXUYEEO-UXHICEINSA-N 1 1 411.458 2.719 20 5 HFBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000807413264 1080608873 /nfs/dbraw/zinc/60/88/73/1080608873.db2.gz HVLKMSXRYRYZDB-UHFFFAOYSA-N 1 1 408.842 2.760 20 5 HFBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)ncc3[N+](=O)[O-])C[C@H]2C[C@H]1Cn1cccn1 ZINC001164832432 720509621 /nfs/dbraw/zinc/50/96/21/720509621.db2.gz AQBZNKHBFSPOMW-QLFBSQMISA-N 1 1 405.890 2.613 20 5 HFBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164749593 720832926 /nfs/dbraw/zinc/83/29/26/720832926.db2.gz WKKHEJCOHFHUOO-GBESFXJTSA-N 1 1 411.510 2.578 20 5 HFBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(-c5ccc([N+](=O)[O-])cc5)nn4)C[C@@H]3C2)cn1 ZINC001164771443 721192300 /nfs/dbraw/zinc/19/23/00/721192300.db2.gz PXAINCJWQJUVTF-OALUTQOASA-N 1 1 419.489 2.744 20 5 HFBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(-c5ccccc5[N+](=O)[O-])nn4)C[C@@H]3C2)cn1 ZINC001164765659 721216229 /nfs/dbraw/zinc/21/62/29/721216229.db2.gz ICWYAIACKBNENH-MSOLQXFVSA-N 1 1 419.489 2.744 20 5 HFBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc([N+](=O)[O-])ccn3)C2)C1 ZINC001164778014 721332900 /nfs/dbraw/zinc/33/29/00/721332900.db2.gz SQFOVDCTRUUJLP-FQEVSTJZSA-N 1 1 401.467 2.714 20 5 HFBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc([N+](=O)[O-])ccn3)C2)C1 ZINC001164778014 721332903 /nfs/dbraw/zinc/33/29/03/721332903.db2.gz SQFOVDCTRUUJLP-FQEVSTJZSA-N 1 1 401.467 2.714 20 5 HFBDMO COc1cc2ncnc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c2cc1[N+](=O)[O-] ZINC001164782443 721411173 /nfs/dbraw/zinc/41/11/73/721411173.db2.gz GLQUBISOZRKBQI-CHWSQXEVSA-N 1 1 412.475 2.571 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)cc([N+](=O)[O-])n2)[C@H]2CCCO[C@H]12 ZINC001164807753 721546016 /nfs/dbraw/zinc/54/60/16/721546016.db2.gz QZDPUJYPBKLDHG-FCEWJHQRSA-N 1 1 403.870 2.906 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)cc([N+](=O)[O-])n2)[C@H]2CCCO[C@H]12 ZINC001164807753 721546022 /nfs/dbraw/zinc/54/60/22/721546022.db2.gz QZDPUJYPBKLDHG-FCEWJHQRSA-N 1 1 403.870 2.906 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)[C@@H]2CCCO[C@@H]12 ZINC001164809903 721563685 /nfs/dbraw/zinc/56/36/85/721563685.db2.gz YAHCURONFUXHQQ-HGHGUNKESA-N 1 1 408.462 2.734 20 5 HFBDMO Nc1nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ccc1[N+](=O)[O-] ZINC001164906677 721711050 /nfs/dbraw/zinc/71/10/50/721711050.db2.gz NVBGLHJWSPRIIY-SFHVURJKSA-N 1 1 404.421 2.705 20 5 HFBDMO Nc1nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ccc1[N+](=O)[O-] ZINC001164906675 721711591 /nfs/dbraw/zinc/71/15/91/721711591.db2.gz NVBGLHJWSPRIIY-GOSISDBHSA-N 1 1 404.421 2.705 20 5 HFBDMO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(C)ncc2[N+](=O)[O-])CC1 ZINC001165021327 721840534 /nfs/dbraw/zinc/84/05/34/721840534.db2.gz LNEDIGDPVYSLBR-UHFFFAOYSA-N 1 1 401.467 2.811 20 5 HFBDMO COc1cnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c([N+](=O)[O-])c1 ZINC001164963868 722055132 /nfs/dbraw/zinc/05/51/32/722055132.db2.gz OXXZZWXVKWILMF-UHFFFAOYSA-N 1 1 413.478 2.512 20 5 HFBDMO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000790528326 1078051538 /nfs/dbraw/zinc/05/15/38/1078051538.db2.gz RGLQJRMBQSGRGJ-UHFFFAOYSA-N 1 1 420.872 2.868 20 5 HFBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790777156 1078130738 /nfs/dbraw/zinc/13/07/38/1078130738.db2.gz HCRKPHDLXJPFOV-MEDUHNTESA-N 1 1 423.311 2.908 20 5 HFBDMO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000790826170 1078158086 /nfs/dbraw/zinc/15/80/86/1078158086.db2.gz IMQLXMSOEJAKKW-VXGBXAGGSA-N 1 1 414.484 2.661 20 5 HFBDMO CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000790890473 1078172886 /nfs/dbraw/zinc/17/28/86/1078172886.db2.gz VSUQBAJWMDDIAM-OAHLLOKOSA-N 1 1 412.893 2.557 20 5 HFBDMO CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000790890473 1078172889 /nfs/dbraw/zinc/17/28/89/1078172889.db2.gz VSUQBAJWMDDIAM-OAHLLOKOSA-N 1 1 412.893 2.557 20 5 HFBDMO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000793589968 1078216798 /nfs/dbraw/zinc/21/67/98/1078216798.db2.gz JTZABJVLPFQTNL-OAQYLSRUSA-N 1 1 407.430 2.628 20 5 HFBDMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000793589968 1078216801 /nfs/dbraw/zinc/21/68/01/1078216801.db2.gz JTZABJVLPFQTNL-OAQYLSRUSA-N 1 1 407.430 2.628 20 5 HFBDMO CS(=O)(=O)c1ccc(C(=O)N(CC[NH+]2CCCCCC2)C2CCC2)c([N+](=O)[O-])c1 ZINC001129395565 1078437728 /nfs/dbraw/zinc/43/77/28/1078437728.db2.gz MJOVNHYIJSPYAX-UHFFFAOYSA-N 1 1 423.535 2.869 20 5 HFBDMO C[C@H]1CN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC[N@@H+]1Cc1ccccc1 ZINC001129829430 1078523418 /nfs/dbraw/zinc/52/34/18/1078523418.db2.gz YIDOVAQMMFFFEY-KKSFZXQISA-N 1 1 408.458 2.821 20 5 HFBDMO C[C@H]1CN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC[N@H+]1Cc1ccccc1 ZINC001129829430 1078523423 /nfs/dbraw/zinc/52/34/23/1078523423.db2.gz YIDOVAQMMFFFEY-KKSFZXQISA-N 1 1 408.458 2.821 20 5 HFBDMO O=Cc1ccc(OCC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c([N+](=O)[O-])c1 ZINC000804534041 1078571215 /nfs/dbraw/zinc/57/12/15/1078571215.db2.gz LTMQCZJDIQFIMP-HSZRJFAPSA-N 1 1 423.469 2.911 20 5 HFBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000804777090 1078602407 /nfs/dbraw/zinc/60/24/07/1078602407.db2.gz PPNDYTHZAYFBCZ-LBPRGKRZSA-N 1 1 417.247 2.804 20 5 HFBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 ZINC001129924985 1078616382 /nfs/dbraw/zinc/61/63/82/1078616382.db2.gz BJKXTXOHBXNXPS-UHFFFAOYSA-N 1 1 404.511 2.768 20 5 HFBDMO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000805761455 1079263103 /nfs/dbraw/zinc/26/31/03/1079263103.db2.gz WARLWPHVYFICEJ-MRXNPFEDSA-N 1 1 422.482 2.875 20 5 HFBDMO O=C([C@H]1CCC[N@H+]1C1CC1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000787301087 1076748280 /nfs/dbraw/zinc/74/82/80/1076748280.db2.gz ASOBGVDBPYNAFX-QGZVFWFLSA-N 1 1 412.412 2.889 20 5 HFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000787356006 1076794788 /nfs/dbraw/zinc/79/47/88/1076794788.db2.gz MKAWITYIKCFRSY-CQSZACIVSA-N 1 1 422.482 2.921 20 5 HFBDMO CC(C)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000791628473 1077519480 /nfs/dbraw/zinc/51/94/80/1077519480.db2.gz POELKMKOQKIGQW-GOSISDBHSA-N 1 1 420.901 2.559 20 5 HFBDMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000791826797 1077575836 /nfs/dbraw/zinc/57/58/36/1077575836.db2.gz FKJFGXFPGCYDKJ-UWJYYQICSA-N 1 1 408.458 2.726 20 5 HFBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000789513141 1077604878 /nfs/dbraw/zinc/60/48/78/1077604878.db2.gz HMEPQISPMOYTIR-OAHLLOKOSA-N 1 1 423.466 2.588 20 5 HFBDMO CC(C)N1CC[NH+](CCCOC(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000792120260 1077728003 /nfs/dbraw/zinc/72/80/03/1077728003.db2.gz MLWHVYFZSRUCCM-UHFFFAOYSA-N 1 1 414.300 2.930 20 5 HFBDMO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000790080712 1077925317 /nfs/dbraw/zinc/92/53/17/1077925317.db2.gz VNKCJYNOMDAGPX-SFHVURJKSA-N 1 1 418.494 2.719 20 5 HFBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000790080712 1077925318 /nfs/dbraw/zinc/92/53/18/1077925318.db2.gz VNKCJYNOMDAGPX-SFHVURJKSA-N 1 1 418.494 2.719 20 5 HFBDMO COC(=O)c1cnc(Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000790100929 1077949333 /nfs/dbraw/zinc/94/93/33/1077949333.db2.gz JECJUVZHXQRKTI-UHFFFAOYSA-N 1 1 405.842 2.925 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@H+]2C[C@@H]3COC[C@@H](CC(=O)NC(C)C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170341203 1077953092 /nfs/dbraw/zinc/95/30/92/1077953092.db2.gz OAGYOBKUJIRDKU-UIXUWTQFSA-N 1 1 419.522 2.644 20 5 HFBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000790272272 1077992963 /nfs/dbraw/zinc/99/29/63/1077992963.db2.gz DBHRKPFOGZFXAX-YIONKMFJSA-N 1 1 422.913 2.782 20 5 HFBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164632432 719112059 /nfs/dbraw/zinc/11/20/59/719112059.db2.gz ZJYHOAZDQAOCIU-ROUUACIJSA-N 1 1 410.478 2.752 20 5 HFBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)ncc3[N+](=O)[O-])CC[C@@H]21 ZINC001164832428 720509559 /nfs/dbraw/zinc/50/95/59/720509559.db2.gz AQBZNKHBFSPOMW-ILXRZTDVSA-N 1 1 405.890 2.613 20 5 HFBDMO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164744129 720811507 /nfs/dbraw/zinc/81/15/07/720811507.db2.gz HKUOQRYBMRAOOD-USXIJHARSA-N 1 1 417.901 2.614 20 5 HFBDMO CCOC(=O)c1ccnc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)c1[N+](=O)[O-] ZINC001164856534 721015318 /nfs/dbraw/zinc/01/53/18/721015318.db2.gz AYMTZHUSECIQCW-AWEZNQCLSA-N 1 1 416.482 2.784 20 5 HFBDMO Cc1cc(Cl)nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1[N+](=O)[O-] ZINC001164887699 721400421 /nfs/dbraw/zinc/40/04/21/721400421.db2.gz MLRMWIDGCQIVNV-OXJNMPFZSA-N 1 1 423.945 2.717 20 5 HFBDMO Cc1cc([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1Cl ZINC001164888341 721401295 /nfs/dbraw/zinc/40/12/95/721401295.db2.gz OIWIBKNGHOCMIV-OXQOHEQNSA-N 1 1 423.945 2.717 20 5 HFBDMO CCOc1nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164902608 721546073 /nfs/dbraw/zinc/54/60/73/721546073.db2.gz AKZAZHZWEUYWKD-WBVHZDCISA-N 1 1 402.426 2.870 20 5 HFBDMO COC(=O)c1cnc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c([N+](=O)[O-])c1 ZINC001164952034 722015386 /nfs/dbraw/zinc/01/53/86/722015386.db2.gz GLBHCSGBKYLJIV-UHFFFAOYSA-N 1 1 411.462 2.664 20 5 HFBDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000790498922 1078043876 /nfs/dbraw/zinc/04/38/76/1078043876.db2.gz VPQTWOSXQWJWDX-VXGBXAGGSA-N 1 1 401.866 2.934 20 5 HFBDMO Cc1c([N+](=O)[O-])cc(S(=O)(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c(C)c1[N+](=O)[O-] ZINC000790850841 1078149494 /nfs/dbraw/zinc/14/94/94/1078149494.db2.gz IGZJLYFUVPETLC-CQSZACIVSA-N 1 1 414.484 2.615 20 5 HFBDMO Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000805862435 1079309359 /nfs/dbraw/zinc/30/93/59/1079309359.db2.gz WWDKTSZZCQCELQ-GASCZTMLSA-N 1 1 402.451 2.566 20 5 HFBDMO Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000805862435 1079309363 /nfs/dbraw/zinc/30/93/63/1079309363.db2.gz WWDKTSZZCQCELQ-GASCZTMLSA-N 1 1 402.451 2.566 20 5 HFBDMO Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000746690816 1076859861 /nfs/dbraw/zinc/85/98/61/1076859861.db2.gz KUOZEHWAJCHZEL-UHFFFAOYSA-N 1 1 417.285 2.573 20 5 HFBDMO CCC(CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)[NH+]1CCOCC1 ZINC000791205169 1077342866 /nfs/dbraw/zinc/34/28/66/1077342866.db2.gz OTNNUECMSMQKDU-IBGZPJMESA-N 1 1 410.490 2.667 20 5 HFBDMO C[N@@H+](CC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)[C@H]1CCSC1 ZINC000791243764 1077356896 /nfs/dbraw/zinc/35/68/96/1077356896.db2.gz DUKDCCUGPUTJFO-NSHDSACASA-N 1 1 414.325 2.679 20 5 HFBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)[C@@H](C)C1 ZINC000791366525 1077394647 /nfs/dbraw/zinc/39/46/47/1077394647.db2.gz JSRABTRULDSERV-WMLDXEAASA-N 1 1 410.490 2.667 20 5 HFBDMO COC(=O)COc1ccc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000789484976 1077588761 /nfs/dbraw/zinc/58/87/61/1077588761.db2.gz FFWKCEIGNZSENH-UHFFFAOYSA-N 1 1 423.466 2.636 20 5 HFBDMO Cc1c(NC(=O)CC[N@H+](C)[C@@H]2CCN(Cc3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000789517701 1077612514 /nfs/dbraw/zinc/61/25/14/1077612514.db2.gz NSBLJVNMEAKQRP-HXUWFJFHSA-N 1 1 410.474 2.965 20 5 HFBDMO CCOC(=O)[C@H]1Cn2nccc2[C@H](C)[N@@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170354908 1077948921 /nfs/dbraw/zinc/94/89/21/1077948921.db2.gz RSCWACQUGOBFDZ-YQQAZPJKSA-N 1 1 416.478 2.987 20 5 HFBDMO CCOC(=O)[C@H]1Cn2nccc2[C@H](C)[N@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170354908 1077948924 /nfs/dbraw/zinc/94/89/24/1077948924.db2.gz RSCWACQUGOBFDZ-YQQAZPJKSA-N 1 1 416.478 2.987 20 5 HFBDMO COc1ccc(C[C@H](C)[N@@H+]2CCO[C@@]3(CCCN(C(=O)C(C)C)C3)C2)c([N+](=O)[O-])c1 ZINC001170339402 1077952272 /nfs/dbraw/zinc/95/22/72/1077952272.db2.gz AZZVBYNBHHLPDZ-JTSKRJEESA-N 1 1 419.522 2.884 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2CCO[C@@]3(CCCN(C(=O)C(C)C)C3)C2)c([N+](=O)[O-])c1 ZINC001170339402 1077952274 /nfs/dbraw/zinc/95/22/74/1077952274.db2.gz AZZVBYNBHHLPDZ-JTSKRJEESA-N 1 1 419.522 2.884 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@@]3(C[C@H]3C(=O)NCc3cccnc3)C2)c([N+](=O)[O-])c1 ZINC001170341534 1077953449 /nfs/dbraw/zinc/95/34/49/1077953449.db2.gz KAUUIDGKAVVYBE-ITSWEJNFSA-N 1 1 424.501 2.958 20 5 HFBDMO CCN1C(=O)[C@]2(CC[C@@H]3C[N@H+]([C@H](C)Cc4ccc(OC)cc4[N+](=O)[O-])C[C@@H]32)N=C1C ZINC001170341862 1077953640 /nfs/dbraw/zinc/95/36/40/1077953640.db2.gz SURYYMQVKGHICO-LPZXAVJZSA-N 1 1 414.506 2.896 20 5 HFBDMO Cc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000792877975 1078016131 /nfs/dbraw/zinc/01/61/31/1078016131.db2.gz YIBHQRRZSOTRDO-LJQANCHMSA-N 1 1 400.435 2.975 20 5 HFBDMO CNC(=O)C[N@H+]1CCCC12CCN(c1cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n1)CC2 ZINC001164689840 719745934 /nfs/dbraw/zinc/74/59/34/719745934.db2.gz LJFNMEREMLBYPR-UHFFFAOYSA-N 1 1 424.505 2.541 20 5 HFBDMO Cc1cc([N+](=O)[O-])c(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc1Cl ZINC001164814794 720218589 /nfs/dbraw/zinc/21/85/89/720218589.db2.gz ZGTSXVGXZUWULZ-UHFFFAOYSA-N 1 1 420.901 2.759 20 5 HFBDMO COc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)ccc1[N+](=O)[O-] ZINC001164841663 720519423 /nfs/dbraw/zinc/51/94/23/720519423.db2.gz ZJHPOAMJYWMZFM-GVDBMIGSSA-N 1 1 400.483 2.573 20 5 HFBDMO Cc1cc([N+](=O)[O-])c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1Cl ZINC001164866835 721072501 /nfs/dbraw/zinc/07/25/01/721072501.db2.gz GFZPKOVLPWBYJQ-HOTGVXAUSA-N 1 1 403.870 2.826 20 5 HFBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(-c5ccccc5[N+](=O)[O-])nn4)C[C@H]3C2)cn1 ZINC001164765673 721215645 /nfs/dbraw/zinc/21/56/45/721215645.db2.gz ICWYAIACKBNENH-ZWKOTPCHSA-N 1 1 419.489 2.744 20 5 HFBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc([N+](=O)[O-])ccn3)C2)C1 ZINC001164778015 721333196 /nfs/dbraw/zinc/33/31/96/721333196.db2.gz SQFOVDCTRUUJLP-HXUWFJFHSA-N 1 1 401.467 2.714 20 5 HFBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc([N+](=O)[O-])ccn3)C2)C1 ZINC001164778015 721333202 /nfs/dbraw/zinc/33/32/02/721333202.db2.gz SQFOVDCTRUUJLP-HXUWFJFHSA-N 1 1 401.467 2.714 20 5 HFBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(F)cc1[N+](=O)[O-])CC2 ZINC001164788576 721453754 /nfs/dbraw/zinc/45/37/54/721453754.db2.gz RLXQKHJVGJASIZ-SFHVURJKSA-N 1 1 422.501 2.863 20 5 HFBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc([N+](=O)[O-])cc1F)CC2 ZINC001164784422 721457366 /nfs/dbraw/zinc/45/73/66/721457366.db2.gz FEKUUUQMUMDDBV-SFHVURJKSA-N 1 1 422.501 2.863 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(Cl)c2[N+](=O)[O-])[C@H]2CCCO[C@@H]12 ZINC001164795694 721528107 /nfs/dbraw/zinc/52/81/07/721528107.db2.gz RRJOTORFFUPORF-LZLYRXPVSA-N 1 1 403.870 2.906 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(Cl)c2[N+](=O)[O-])[C@H]2CCCO[C@@H]12 ZINC001164795694 721528113 /nfs/dbraw/zinc/52/81/13/721528113.db2.gz RRJOTORFFUPORF-LZLYRXPVSA-N 1 1 403.870 2.906 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])[C@H]2CCCO[C@@H]12 ZINC001164794416 721528494 /nfs/dbraw/zinc/52/84/94/721528494.db2.gz CZCBQAPJYWLWIJ-CGTJXYLNSA-N 1 1 403.870 2.906 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])[C@H]2CCCO[C@@H]12 ZINC001164794416 721528498 /nfs/dbraw/zinc/52/84/98/721528498.db2.gz CZCBQAPJYWLWIJ-CGTJXYLNSA-N 1 1 403.870 2.906 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)cc([N+](=O)[O-])n2)[C@@H]2CCCO[C@@H]12 ZINC001164807755 721545654 /nfs/dbraw/zinc/54/56/54/721545654.db2.gz QZDPUJYPBKLDHG-GPMSIDNRSA-N 1 1 403.870 2.906 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)cc([N+](=O)[O-])n2)[C@@H]2CCCO[C@@H]12 ZINC001164807755 721545657 /nfs/dbraw/zinc/54/56/57/721545657.db2.gz QZDPUJYPBKLDHG-GPMSIDNRSA-N 1 1 403.870 2.906 20 5 HFBDMO COc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165019683 721812446 /nfs/dbraw/zinc/81/24/46/721812446.db2.gz BLLLPPVPQIZLAF-CGTJXYLNSA-N 1 1 412.494 2.834 20 5 HFBDMO O=[N+]([O-])c1ccc2ncc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2c1 ZINC001164983364 722103967 /nfs/dbraw/zinc/10/39/67/722103967.db2.gz PQOVUBLJVUJMKD-LAUBAEHRSA-N 1 1 420.473 2.660 20 5 HFBDMO O=[N+]([O-])c1cnc(Cl)cc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980614 722105295 /nfs/dbraw/zinc/10/52/95/722105295.db2.gz JRHBYUBGSOIGGS-MAUKXSAKSA-N 1 1 403.870 2.766 20 5 HFBDMO O=[N+]([O-])c1ccc2nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)cnc2c1 ZINC001164984294 722105523 /nfs/dbraw/zinc/10/55/23/722105523.db2.gz SCZREBIOCJGIAW-DYESRHJHSA-N 1 1 420.473 2.660 20 5 HFBDMO COC(=O)[C@]1(c2ccccc2)CC[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000793601493 1078220973 /nfs/dbraw/zinc/22/09/73/1078220973.db2.gz XJCAYGRCFNDZCZ-JOCHJYFZSA-N 1 1 424.457 2.611 20 5 HFBDMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000793601493 1078220975 /nfs/dbraw/zinc/22/09/75/1078220975.db2.gz XJCAYGRCFNDZCZ-JOCHJYFZSA-N 1 1 424.457 2.611 20 5 HFBDMO Cc1nn(C[N@@H+]2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000793701197 1078273793 /nfs/dbraw/zinc/27/37/93/1078273793.db2.gz CJLTYMFPBMVBSN-RHSMWYFYSA-N 1 1 416.482 2.937 20 5 HFBDMO Cc1nn(C[N@H+]2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000793701197 1078273797 /nfs/dbraw/zinc/27/37/97/1078273797.db2.gz CJLTYMFPBMVBSN-RHSMWYFYSA-N 1 1 416.482 2.937 20 5 HFBDMO CC(C)(C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)[NH+]1CCCC1 ZINC000805614826 1079176106 /nfs/dbraw/zinc/17/61/06/1079176106.db2.gz MDOOSYLBASQHCI-UHFFFAOYSA-N 1 1 403.357 2.970 20 5 HFBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000789513117 1077604914 /nfs/dbraw/zinc/60/49/14/1077604914.db2.gz GPNSXZUJZCTJNQ-RDJZCZTQSA-N 1 1 404.419 2.828 20 5 HFBDMO COC(=O)c1c(C)c([N+](=O)[O-])ccc1N(C(N)=[NH2+])c1ccc(N2CCOCC2)cc1 ZINC001170171190 1077905031 /nfs/dbraw/zinc/90/50/31/1077905031.db2.gz WXBRJQJUFUYJKO-UHFFFAOYSA-N 1 1 413.434 2.558 20 5 HFBDMO CCOc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001170281076 1077936860 /nfs/dbraw/zinc/93/68/60/1077936860.db2.gz URNRFWQCOHJHOI-ZIAGYGMSSA-N 1 1 401.385 2.836 20 5 HFBDMO COc1ccc(NC(=O)C[N@H+](C)C2CC(NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170358158 1077949727 /nfs/dbraw/zinc/94/97/27/1077949727.db2.gz NNYKPFZAOLKESJ-UHFFFAOYSA-N 1 1 408.455 2.529 20 5 HFBDMO COc1ccc(NC(=O)C[N@@H+](C)C2CC(NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170358158 1077949730 /nfs/dbraw/zinc/94/97/30/1077949730.db2.gz NNYKPFZAOLKESJ-UHFFFAOYSA-N 1 1 408.455 2.529 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@@H+]2CCc3onc(C(=O)NC(C)C)c3C2)c([N+](=O)[O-])c1 ZINC001170339373 1077952289 /nfs/dbraw/zinc/95/22/89/1077952289.db2.gz AGNDKFGDIOGUOV-CYBMUJFWSA-N 1 1 402.451 2.719 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@H+]2CCc3onc(C(=O)NC(C)C)c3C2)c([N+](=O)[O-])c1 ZINC001170339373 1077952292 /nfs/dbraw/zinc/95/22/92/1077952292.db2.gz AGNDKFGDIOGUOV-CYBMUJFWSA-N 1 1 402.451 2.719 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@@H+]2CCCn3nnc(COCC4CC4)c3C2)c([N+](=O)[O-])c1 ZINC001170339821 1077952571 /nfs/dbraw/zinc/95/25/71/1077952571.db2.gz JUCYYQFNCOJGMN-OAHLLOKOSA-N 1 1 415.494 2.958 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@H+]2CCCn3nnc(COCC4CC4)c3C2)c([N+](=O)[O-])c1 ZINC001170339821 1077952572 /nfs/dbraw/zinc/95/25/72/1077952572.db2.gz JUCYYQFNCOJGMN-OAHLLOKOSA-N 1 1 415.494 2.958 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@]3(CC(C(=O)N(C)C(C)C)=NO3)C2)c([N+](=O)[O-])c1 ZINC001170340520 1077953060 /nfs/dbraw/zinc/95/30/60/1077953060.db2.gz MTFUOTXWHZJXKS-VFNWGFHPSA-N 1 1 418.494 2.622 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@H+]2CC[C@]3(CC(C(=O)N(C)C(C)C)=NO3)C2)c([N+](=O)[O-])c1 ZINC001170340520 1077953062 /nfs/dbraw/zinc/95/30/62/1077953062.db2.gz MTFUOTXWHZJXKS-VFNWGFHPSA-N 1 1 418.494 2.622 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)NC3CCC3)C2)c([N+](=O)[O-])c1 ZINC001170341672 1077953608 /nfs/dbraw/zinc/95/36/08/1077953608.db2.gz SFFZMVLHOHGOPT-XPKQXGJGSA-N 1 1 417.506 2.540 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@H+]2Cc3nccn3C[C@H](Cn3cccn3)C2)c([N+](=O)[O-])c1 ZINC001170343561 1077953828 /nfs/dbraw/zinc/95/38/28/1077953828.db2.gz QOIOXJXJEUXMTF-SJORKVTESA-N 1 1 410.478 2.760 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@@H+]2Cc3nccn3C[C@H](Cn3cccn3)C2)c([N+](=O)[O-])c1 ZINC001170343561 1077953831 /nfs/dbraw/zinc/95/38/31/1077953831.db2.gz QOIOXJXJEUXMTF-SJORKVTESA-N 1 1 410.478 2.760 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170351616 1077956282 /nfs/dbraw/zinc/95/62/82/1077956282.db2.gz GLPUJWRJOXZLRP-RYGJVYDSSA-N 1 1 423.469 2.651 20 5 HFBDMO C[N@@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000790452216 1078035761 /nfs/dbraw/zinc/03/57/61/1078035761.db2.gz XAZYMPMCIJJMDS-CQSZACIVSA-N 1 1 420.329 2.756 20 5 HFBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000790452216 1078035767 /nfs/dbraw/zinc/03/57/67/1078035767.db2.gz XAZYMPMCIJJMDS-CQSZACIVSA-N 1 1 420.329 2.756 20 5 HFBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000807544348 1080759674 /nfs/dbraw/zinc/75/96/74/1080759674.db2.gz QARWMCHJRFGQAE-WMLDXEAASA-N 1 1 414.437 2.760 20 5 HFBDMO O=[N+]([O-])c1ccc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1-c1ccccc1 ZINC001164746659 720801997 /nfs/dbraw/zinc/80/19/97/720801997.db2.gz MHLTVHBLPJMDPU-ROUUACIJSA-N 1 1 418.457 2.789 20 5 HFBDMO O=[N+]([O-])c1cnc(Cl)cc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164737962 720816711 /nfs/dbraw/zinc/81/67/11/720816711.db2.gz CSBYLUHSKSXBIA-HRCADAONSA-N 1 1 417.901 2.614 20 5 HFBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164749598 720832581 /nfs/dbraw/zinc/83/25/81/720832581.db2.gz WKKHEJCOHFHUOO-GUDVDZBRSA-N 1 1 411.510 2.578 20 5 HFBDMO COCC[N@H+]1CCO[C@H]2CN(c3ccc4c(ccc(Cl)c4[N+](=O)[O-])n3)CC[C@H]2C1 ZINC001164856891 720861594 /nfs/dbraw/zinc/86/15/94/720861594.db2.gz PUHPCDWVCFPEAN-KSSFIOAISA-N 1 1 420.897 2.970 20 5 HFBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(-c5ccccc5[N+](=O)[O-])nn4)C[C@@H]3C2)cn1 ZINC001164765669 721215154 /nfs/dbraw/zinc/21/51/54/721215154.db2.gz ICWYAIACKBNENH-ROUUACIJSA-N 1 1 419.489 2.744 20 5 HFBDMO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164782801 721400903 /nfs/dbraw/zinc/40/09/03/721400903.db2.gz FSJYWABHEHZTRN-DTORHVGOSA-N 1 1 401.279 2.716 20 5 HFBDMO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164782801 721400907 /nfs/dbraw/zinc/40/09/07/721400907.db2.gz FSJYWABHEHZTRN-DTORHVGOSA-N 1 1 401.279 2.716 20 5 HFBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc([N+](=O)[O-])ccn1)CC2 ZINC001164785179 721450842 /nfs/dbraw/zinc/45/08/42/721450842.db2.gz GYFBWCYNKVIFSW-LJQANCHMSA-N 1 1 404.511 2.724 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(Cl)c2[N+](=O)[O-])[C@H]2CCCO[C@H]12 ZINC001164795693 721528178 /nfs/dbraw/zinc/52/81/78/721528178.db2.gz RRJOTORFFUPORF-JZXOWHBKSA-N 1 1 403.870 2.906 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(Cl)c2[N+](=O)[O-])[C@H]2CCCO[C@H]12 ZINC001164795693 721528179 /nfs/dbraw/zinc/52/81/79/721528179.db2.gz RRJOTORFFUPORF-JZXOWHBKSA-N 1 1 403.870 2.906 20 5 HFBDMO COc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165019695 721812194 /nfs/dbraw/zinc/81/21/94/721812194.db2.gz BLLLPPVPQIZLAF-JQHSSLGASA-N 1 1 412.494 2.834 20 5 HFBDMO CCc1cc(N2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164935523 721883463 /nfs/dbraw/zinc/88/34/63/721883463.db2.gz XIFLCKJBSWRYNK-VQTJNVASSA-N 1 1 410.522 2.829 20 5 HFBDMO CCc1cc(N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164935523 721883466 /nfs/dbraw/zinc/88/34/66/721883466.db2.gz XIFLCKJBSWRYNK-VQTJNVASSA-N 1 1 410.522 2.829 20 5 HFBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971414 722112935 /nfs/dbraw/zinc/11/29/35/722112935.db2.gz CKBCMWJAHCIAJA-DYESRHJHSA-N 1 1 420.473 2.660 20 5 HFBDMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000790666960 1078084014 /nfs/dbraw/zinc/08/40/14/1078084014.db2.gz VVWRCYIMOZTYFF-HNNXBMFYSA-N 1 1 412.893 2.558 20 5 HFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OC[C@H]1C[N@H+](C(C)C)CCO1 ZINC000793206643 1078105656 /nfs/dbraw/zinc/10/56/56/1078105656.db2.gz ZKBBJSUSVVAWEB-CYBMUJFWSA-N 1 1 401.257 2.932 20 5 HFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OC[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000793206643 1078105663 /nfs/dbraw/zinc/10/56/63/1078105663.db2.gz ZKBBJSUSVVAWEB-CYBMUJFWSA-N 1 1 401.257 2.932 20 5 HFBDMO C[N@@H+]1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000793503924 1078204662 /nfs/dbraw/zinc/20/46/62/1078204662.db2.gz HPPRKYCKMKKNNW-IBGZPJMESA-N 1 1 412.446 2.821 20 5 HFBDMO C[N@H+]1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000793503924 1078204664 /nfs/dbraw/zinc/20/46/64/1078204664.db2.gz HPPRKYCKMKKNNW-IBGZPJMESA-N 1 1 412.446 2.821 20 5 HFBDMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000793599405 1078220645 /nfs/dbraw/zinc/22/06/45/1078220645.db2.gz PXFJQYCWACMBFQ-OAQYLSRUSA-N 1 1 407.430 2.628 20 5 HFBDMO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[NH+](Cc2ccccc2C)CC1 ZINC000746715210 1077002030 /nfs/dbraw/zinc/00/20/30/1077002030.db2.gz IEYKEOGFNRSIIN-UHFFFAOYSA-N 1 1 414.418 2.920 20 5 HFBDMO Cc1c(NC(=O)CC[N@@H+]2CCn3c(Br)cnc3C2)cccc1[N+](=O)[O-] ZINC000787998232 1077023515 /nfs/dbraw/zinc/02/35/15/1077023515.db2.gz YMHRAXSQYUTWKS-UHFFFAOYSA-N 1 1 408.256 2.707 20 5 HFBDMO Cc1c(NC(=O)CC[N@H+]2CCn3c(Br)cnc3C2)cccc1[N+](=O)[O-] ZINC000787998232 1077023521 /nfs/dbraw/zinc/02/35/21/1077023521.db2.gz YMHRAXSQYUTWKS-UHFFFAOYSA-N 1 1 408.256 2.707 20 5 HFBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)[N@H+]1CCc2ccccc2C1 ZINC000791214325 1077346711 /nfs/dbraw/zinc/34/67/11/1077346711.db2.gz GOPLVYHFXOFCMM-AWEZNQCLSA-N 1 1 400.454 2.977 20 5 HFBDMO CCc1ccc(C(=O)OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000747010596 1077400002 /nfs/dbraw/zinc/40/00/02/1077400002.db2.gz JIFQYLNDNAUUFS-UHFFFAOYSA-N 1 1 411.458 2.658 20 5 HFBDMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000792369162 1077819248 /nfs/dbraw/zinc/81/92/48/1077819248.db2.gz RCWUZHOBSWYHGU-OAHLLOKOSA-N 1 1 416.865 2.825 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@@H+]2CCc3ncc(Cn4cccn4)n3CC2)c([N+](=O)[O-])c1 ZINC001170338828 1077951985 /nfs/dbraw/zinc/95/19/85/1077951985.db2.gz DFHDYJLIKXYZOE-MRXNPFEDSA-N 1 1 410.478 2.534 20 5 HFBDMO COc1ccc(C[C@H](C)[N@@H+]2CC[C@]3(CC(C(=O)N(C)C(C)C)=NO3)C2)c([N+](=O)[O-])c1 ZINC001170340517 1077952817 /nfs/dbraw/zinc/95/28/17/1077952817.db2.gz MTFUOTXWHZJXKS-BTYIYWSLSA-N 1 1 418.494 2.622 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@]3(CC(C(=O)N(C)C(C)C)=NO3)C2)c([N+](=O)[O-])c1 ZINC001170340517 1077952818 /nfs/dbraw/zinc/95/28/18/1077952818.db2.gz MTFUOTXWHZJXKS-BTYIYWSLSA-N 1 1 418.494 2.622 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@H+]2C[C@@H](OCc3cccnc3)[C@H]3COC[C@H]32)c([N+](=O)[O-])c1 ZINC001170340495 1077952851 /nfs/dbraw/zinc/95/28/51/1077952851.db2.gz MEHGCJSNARRQAS-GZIQRIHMSA-N 1 1 413.474 2.845 20 5 HFBDMO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1OCC(=O)NC ZINC000792876155 1078015640 /nfs/dbraw/zinc/01/56/40/1078015640.db2.gz MAITVKAWLXNUBV-INIZCTEOSA-N 1 1 402.407 2.869 20 5 HFBDMO C[C@@]1(NC(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001130614360 1079642129 /nfs/dbraw/zinc/64/21/29/1079642129.db2.gz VUYOAIVVBMFJDV-JOCHJYFZSA-N 1 1 420.473 2.629 20 5 HFBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])C2 ZINC001164812696 720092392 /nfs/dbraw/zinc/09/23/92/720092392.db2.gz RFQCOLUGYQJOSR-YVEFUNNKSA-N 1 1 416.309 2.876 20 5 HFBDMO COc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)ncc1[N+](=O)[O-] ZINC001164842603 720532722 /nfs/dbraw/zinc/53/27/22/720532722.db2.gz YQSKEICYUPKELL-IXDOHACOSA-N 1 1 400.483 2.573 20 5 HFBDMO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164744118 720811593 /nfs/dbraw/zinc/81/15/93/720811593.db2.gz HKUOQRYBMRAOOD-BHYGNILZSA-N 1 1 417.901 2.614 20 5 HFBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(-c5ccc([N+](=O)[O-])cc5)nn4)C[C@@H]3C2)cn1 ZINC001164771442 721193232 /nfs/dbraw/zinc/19/32/32/721193232.db2.gz PXAINCJWQJUVTF-MOPGFXCFSA-N 1 1 419.489 2.744 20 5 HFBDMO Cc1cc(Cl)nc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1[N+](=O)[O-] ZINC001164887700 721400474 /nfs/dbraw/zinc/40/04/74/721400474.db2.gz MLRMWIDGCQIVNV-OXQOHEQNSA-N 1 1 423.945 2.717 20 5 HFBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cccc([N+](=O)[O-])n1)CC2 ZINC001164786875 721453926 /nfs/dbraw/zinc/45/39/26/721453926.db2.gz OHKAIGSZMXKTCQ-GOSISDBHSA-N 1 1 404.511 2.724 20 5 HFBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(F)cc1[N+](=O)[O-])CC2 ZINC001164788574 721454060 /nfs/dbraw/zinc/45/40/60/721454060.db2.gz RLXQKHJVGJASIZ-GOSISDBHSA-N 1 1 422.501 2.863 20 5 HFBDMO Cc1nc(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164900164 721510664 /nfs/dbraw/zinc/51/06/64/721510664.db2.gz OSDGJLYNXZJFLC-UKRRQHHQSA-N 1 1 407.833 2.828 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)[C@@H]2CCCO[C@@H]12 ZINC001164803370 721588466 /nfs/dbraw/zinc/58/84/66/721588466.db2.gz HUHKZGFWMNHQMR-SFHLNBCPSA-N 1 1 420.473 2.801 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)[C@@H]2CCCO[C@@H]12 ZINC001164803370 721588468 /nfs/dbraw/zinc/58/84/68/721588468.db2.gz HUHKZGFWMNHQMR-SFHLNBCPSA-N 1 1 420.473 2.801 20 5 HFBDMO Cc1nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ncc1[N+](=O)[O-] ZINC001164912649 721732939 /nfs/dbraw/zinc/73/29/39/721732939.db2.gz PDAOUSQYHPKROM-SFHVURJKSA-N 1 1 404.421 2.826 20 5 HFBDMO O=[N+]([O-])c1cc(Cl)cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164979790 722110799 /nfs/dbraw/zinc/11/07/99/722110799.db2.gz QARZBAIMOHEPJE-RDJZCZTQSA-N 1 1 403.870 2.766 20 5 HFBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC001170435602 1078213839 /nfs/dbraw/zinc/21/38/39/1078213839.db2.gz RDAJYTCYUIZRAV-HNAYVOBHSA-N 1 1 413.478 2.552 20 5 HFBDMO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000793599404 1078220675 /nfs/dbraw/zinc/22/06/75/1078220675.db2.gz PXFJQYCWACMBFQ-NRFANRHFSA-N 1 1 407.430 2.628 20 5 HFBDMO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804446211 1078511166 /nfs/dbraw/zinc/51/11/66/1078511166.db2.gz AUCOVYPIRJVXDI-LJQANCHMSA-N 1 1 412.465 2.766 20 5 HFBDMO C[C@H]1CN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC[N@@H+]1Cc1ccccc1 ZINC001129829427 1078523002 /nfs/dbraw/zinc/52/30/02/1078523002.db2.gz YIDOVAQMMFFFEY-HRAATJIYSA-N 1 1 408.458 2.821 20 5 HFBDMO C[C@H]1CN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC[N@H+]1Cc1ccccc1 ZINC001129829427 1078523003 /nfs/dbraw/zinc/52/30/03/1078523003.db2.gz YIDOVAQMMFFFEY-HRAATJIYSA-N 1 1 408.458 2.821 20 5 HFBDMO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)CC1 ZINC000804833573 1078673997 /nfs/dbraw/zinc/67/39/97/1078673997.db2.gz APPDACKQHAOBCE-OAHLLOKOSA-N 1 1 416.482 2.603 20 5 HFBDMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000805751009 1079230723 /nfs/dbraw/zinc/23/07/23/1079230723.db2.gz XLPXHVYAJVVWIP-UTKZUKDTSA-N 1 1 409.490 2.722 20 5 HFBDMO C[N@@H+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000788849839 1077319624 /nfs/dbraw/zinc/31/96/24/1077319624.db2.gz BFAXVCIJTMXDQC-HNNXBMFYSA-N 1 1 401.467 2.788 20 5 HFBDMO C[N@H+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000788849839 1077319630 /nfs/dbraw/zinc/31/96/30/1077319630.db2.gz BFAXVCIJTMXDQC-HNNXBMFYSA-N 1 1 401.467 2.788 20 5 HFBDMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000791826773 1077575824 /nfs/dbraw/zinc/57/58/24/1077575824.db2.gz FKJFGXFPGCYDKJ-DYESRHJHSA-N 1 1 408.458 2.726 20 5 HFBDMO Cc1ccc(Sc2ccc(C[NH2+]C[C@@H]3CC(C(N)=O)=NO3)cc2[N+](=O)[O-])cc1 ZINC000789559921 1077678684 /nfs/dbraw/zinc/67/86/84/1077678684.db2.gz DJJAAAJNQPFRCW-AWEZNQCLSA-N 1 1 400.460 2.774 20 5 HFBDMO NC(=O)C1=NO[C@H](C[NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000789561742 1077680984 /nfs/dbraw/zinc/68/09/84/1077680984.db2.gz TYLSVJJFOLIJEZ-LBPRGKRZSA-N 1 1 404.810 2.760 20 5 HFBDMO CC(C)N1CC[NH+](CCCOC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000792119212 1077713121 /nfs/dbraw/zinc/71/31/21/1077713121.db2.gz HAZATMOOSXIHAN-UHFFFAOYSA-N 1 1 401.410 2.769 20 5 HFBDMO COCCN1CCOC[C@@]2(CCC[N@H+]([C@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])C2)C1 ZINC001170336535 1077947416 /nfs/dbraw/zinc/94/74/16/1077947416.db2.gz YUPNWJSATYUELM-GCJKJVERSA-N 1 1 421.538 2.595 20 5 HFBDMO COCC[N@@H+]1CCOC[C@@]2(CCCN([C@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])C2)C1 ZINC001170336535 1077947418 /nfs/dbraw/zinc/94/74/18/1077947418.db2.gz YUPNWJSATYUELM-GCJKJVERSA-N 1 1 421.538 2.595 20 5 HFBDMO COCC[N@H+]1CCOC[C@@]2(CCCN([C@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])C2)C1 ZINC001170336535 1077947420 /nfs/dbraw/zinc/94/74/20/1077947420.db2.gz YUPNWJSATYUELM-GCJKJVERSA-N 1 1 421.538 2.595 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@@H+]2CCO[C@@]3(CCCN(C(=O)C(C)C)C3)C2)c([N+](=O)[O-])c1 ZINC001170339404 1077952348 /nfs/dbraw/zinc/95/23/48/1077952348.db2.gz AZZVBYNBHHLPDZ-VGSWGCGISA-N 1 1 419.522 2.884 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@H+]2CCO[C@@]3(CCCN(C(=O)C(C)C)C3)C2)c([N+](=O)[O-])c1 ZINC001170339404 1077952350 /nfs/dbraw/zinc/95/23/50/1077952350.db2.gz AZZVBYNBHHLPDZ-VGSWGCGISA-N 1 1 419.522 2.884 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2CCCn3cnc(Cn4cccn4)c3C2)c([N+](=O)[O-])c1 ZINC001170342030 1077953656 /nfs/dbraw/zinc/95/36/56/1077953656.db2.gz LNQMBUVPJADONB-INIZCTEOSA-N 1 1 410.478 2.882 20 5 HFBDMO CS(=O)(=O)c1ccc([C@H](O)C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001170412478 1077966838 /nfs/dbraw/zinc/96/68/38/1077966838.db2.gz SGWMCFGKZLZQJL-YLJYHZDGSA-N 1 1 404.488 2.911 20 5 HFBDMO CS(=O)(=O)c1ccc([C@H](O)C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001170412478 1077966839 /nfs/dbraw/zinc/96/68/39/1077966839.db2.gz SGWMCFGKZLZQJL-YLJYHZDGSA-N 1 1 404.488 2.911 20 5 HFBDMO CN(C)c1cc(NC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])cc[nH+]1 ZINC000796945154 1078020790 /nfs/dbraw/zinc/02/07/90/1078020790.db2.gz MTDCCCYSVYTPCQ-UHFFFAOYSA-N 1 1 408.256 2.893 20 5 HFBDMO C[N@H+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1Cc1ccccc1 ZINC000792943748 1078023134 /nfs/dbraw/zinc/02/31/34/1078023134.db2.gz TWQVZLSGKCJRNQ-SFHVURJKSA-N 1 1 400.454 2.921 20 5 HFBDMO CN1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1Cc1ccccc1 ZINC000792943748 1078023138 /nfs/dbraw/zinc/02/31/38/1078023138.db2.gz TWQVZLSGKCJRNQ-SFHVURJKSA-N 1 1 400.454 2.921 20 5 HFBDMO CN1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1Cc1ccccc1 ZINC000792943748 1078023144 /nfs/dbraw/zinc/02/31/44/1078023144.db2.gz TWQVZLSGKCJRNQ-SFHVURJKSA-N 1 1 400.454 2.921 20 5 HFBDMO O=C(C[NH+]1CCC(CC(F)(F)F)CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000792934468 1078028626 /nfs/dbraw/zinc/02/86/26/1078028626.db2.gz VZAMGSVFYHMRSV-UHFFFAOYSA-N 1 1 414.428 2.908 20 5 HFBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000807413458 1080612421 /nfs/dbraw/zinc/61/24/21/1080612421.db2.gz OXPJHUBCHJVJBH-UHFFFAOYSA-N 1 1 406.414 2.554 20 5 HFBDMO COc1nc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)ncc1[N+](=O)[O-] ZINC001164694060 719803593 /nfs/dbraw/zinc/80/35/93/719803593.db2.gz WXBKPPBZYVXSDL-UHFFFAOYSA-N 1 1 404.496 2.793 20 5 HFBDMO O=[N+]([O-])c1cnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c([N+](=O)[O-])c1 ZINC001164695049 719889650 /nfs/dbraw/zinc/88/96/50/719889650.db2.gz JSPWGSJALDGDKF-UHFFFAOYSA-N 1 1 419.463 2.831 20 5 HFBDMO O=[N+]([O-])c1cnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c([N+](=O)[O-])c1 ZINC001164695049 719889651 /nfs/dbraw/zinc/88/96/51/719889651.db2.gz JSPWGSJALDGDKF-UHFFFAOYSA-N 1 1 419.463 2.831 20 5 HFBDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc([N+](=O)[O-])c3ccccc31)CCC2 ZINC001164812613 720221080 /nfs/dbraw/zinc/22/10/80/720221080.db2.gz HKPSRSHBDHPJAX-UHFFFAOYSA-N 1 1 422.489 2.950 20 5 HFBDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc3ccccc3cc1[N+](=O)[O-])CCC2 ZINC001164814510 720231017 /nfs/dbraw/zinc/23/10/17/720231017.db2.gz WJDQJBFXJBHBRD-UHFFFAOYSA-N 1 1 422.489 2.950 20 5 HFBDMO COc1nc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)ncc1[N+](=O)[O-] ZINC001164842008 720658386 /nfs/dbraw/zinc/65/83/86/720658386.db2.gz RPJZOJVRPACSFK-KRWDZBQOSA-N 1 1 413.478 2.653 20 5 HFBDMO O=[N+]([O-])c1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164748706 720810604 /nfs/dbraw/zinc/81/06/04/720810604.db2.gz RBPAACHPIDCUEE-BHYGNILZSA-N 1 1 417.901 2.614 20 5 HFBDMO COCC[N@H+]1CCO[C@H]2CN(c3cc(C)c4cc([N+](=O)[O-])ccc4n3)CC[C@@H]2C1 ZINC001164853725 720843524 /nfs/dbraw/zinc/84/35/24/720843524.db2.gz OSXVMRDVWYWJJQ-UZLBHIALSA-N 1 1 400.479 2.625 20 5 HFBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)n1 ZINC001164781659 721395135 /nfs/dbraw/zinc/39/51/35/721395135.db2.gz CPBYDWBHBXECRZ-UWVGGRQHSA-N 1 1 412.928 2.785 20 5 HFBDMO Cc1cc(Cl)nc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1[N+](=O)[O-] ZINC001164887698 721400089 /nfs/dbraw/zinc/40/00/89/721400089.db2.gz MLRMWIDGCQIVNV-JXFKEZNVSA-N 1 1 423.945 2.717 20 5 HFBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164891912 721402083 /nfs/dbraw/zinc/40/20/83/721402083.db2.gz WNTWBZGXAPWUPM-JXFKEZNVSA-N 1 1 423.945 2.717 20 5 HFBDMO Cc1nc(Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1[N+](=O)[O-] ZINC001164794348 721527317 /nfs/dbraw/zinc/52/73/17/721527317.db2.gz BZHHVQYTPRSWEI-ZOBUZTSGSA-N 1 1 418.885 2.610 20 5 HFBDMO Cc1nc(Cl)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1[N+](=O)[O-] ZINC001164794348 721527322 /nfs/dbraw/zinc/52/73/22/721527322.db2.gz BZHHVQYTPRSWEI-ZOBUZTSGSA-N 1 1 418.885 2.610 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC001164794421 721527919 /nfs/dbraw/zinc/52/79/19/721527919.db2.gz CZCBQAPJYWLWIJ-NXHRZFHOSA-N 1 1 403.870 2.906 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC001164794421 721527922 /nfs/dbraw/zinc/52/79/22/721527922.db2.gz CZCBQAPJYWLWIJ-NXHRZFHOSA-N 1 1 403.870 2.906 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)[C@H]2CCCO[C@@H]12 ZINC001164809904 721563556 /nfs/dbraw/zinc/56/35/56/721563556.db2.gz YAHCURONFUXHQQ-YRISNDGFSA-N 1 1 408.462 2.734 20 5 HFBDMO COc1nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ncc1[N+](=O)[O-] ZINC001164901823 721583298 /nfs/dbraw/zinc/58/32/98/721583298.db2.gz BCFAIGTYVLVSGJ-SFHVURJKSA-N 1 1 420.420 2.526 20 5 HFBDMO O=[N+]([O-])c1cnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c(F)c1 ZINC001164963069 722054925 /nfs/dbraw/zinc/05/49/25/722054925.db2.gz GYIFKVWGOKZUGP-UHFFFAOYSA-N 1 1 401.442 2.643 20 5 HFBDMO O=[N+]([O-])c1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1 ZINC001164980073 722101360 /nfs/dbraw/zinc/10/13/60/722101360.db2.gz JESYCAALRSHABX-QAPCUYQASA-N 1 1 403.870 2.766 20 5 HFBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000793002031 1078045414 /nfs/dbraw/zinc/04/54/14/1078045414.db2.gz CPYMVCKRXRWFPA-RHSMWYFYSA-N 1 1 402.495 2.774 20 5 HFBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790759625 1078112594 /nfs/dbraw/zinc/11/25/94/1078112594.db2.gz HNOFFNLCFWOIJV-GFCCVEGCSA-N 1 1 423.311 2.909 20 5 HFBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790769662 1078128661 /nfs/dbraw/zinc/12/86/61/1078128661.db2.gz HQYSXXZFDREYCL-NSHDSACASA-N 1 1 409.284 2.662 20 5 HFBDMO CC[NH+]1CCN(C(=O)Cc2ccc(Nc3c([N+](=O)[O-])cccc3[N+](=O)[O-])cc2)CC1 ZINC000804537647 1078585356 /nfs/dbraw/zinc/58/53/56/1078585356.db2.gz AHCGNKJIRGBHKL-UHFFFAOYSA-N 1 1 413.434 2.953 20 5 HFBDMO COCC[N@@H+]1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC001130417749 1079336019 /nfs/dbraw/zinc/33/60/19/1079336019.db2.gz PPTCGHWSGKCRAC-UHFFFAOYSA-N 1 1 419.400 2.719 20 5 HFBDMO COCC[N@H+]1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC001130417749 1079336025 /nfs/dbraw/zinc/33/60/25/1079336025.db2.gz PPTCGHWSGKCRAC-UHFFFAOYSA-N 1 1 419.400 2.719 20 5 HFBDMO CCC[C@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000790911785 1077246932 /nfs/dbraw/zinc/24/69/32/1077246932.db2.gz LLZMNIWSGZOSRO-AWEZNQCLSA-N 1 1 401.866 2.889 20 5 HFBDMO COC(=O)c1cnc(N2CC[NH+](Cc3cccc4cccnc43)CC2)c([N+](=O)[O-])c1 ZINC000790094738 1077946741 /nfs/dbraw/zinc/94/67/41/1077946741.db2.gz FUZOSPUMYHEIBZ-UHFFFAOYSA-N 1 1 407.430 2.647 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@H+]2C[C@@H](NC(=O)OC(C)(C)C)C3(COC3)C2)c([N+](=O)[O-])c1 ZINC001170355474 1077948930 /nfs/dbraw/zinc/94/89/30/1077948930.db2.gz GHNDULUJFFDWAC-RDTXWAMCSA-N 1 1 421.494 2.760 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@@H](NC(=O)C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC001170355256 1077949035 /nfs/dbraw/zinc/94/90/35/1077949035.db2.gz YIXHBIGZGPFZNK-MAUKXSAKSA-N 1 1 405.495 2.542 20 5 HFBDMO CCO[C@H]1CC[N@@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])[C@H]1Cc1cnn(C)c1 ZINC001170339167 1077952330 /nfs/dbraw/zinc/95/23/30/1077952330.db2.gz HVZOAWOHQKYKEH-JHVJFLLYSA-N 1 1 402.495 2.990 20 5 HFBDMO CC[N@@H+](CCCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)C1CCCCC1 ZINC001130588727 1079568428 /nfs/dbraw/zinc/56/84/28/1079568428.db2.gz JHVDNZVBHKZMGP-UHFFFAOYSA-N 1 1 411.524 2.773 20 5 HFBDMO COc1cc(C(=O)OC[C@@H]2C[N@@H+](CC(C)C)CCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000806319155 1079571650 /nfs/dbraw/zinc/57/16/50/1079571650.db2.gz DTWWSQIHIVEFPY-LBPRGKRZSA-N 1 1 418.393 2.718 20 5 HFBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164632429 719111075 /nfs/dbraw/zinc/11/10/75/719111075.db2.gz ZJYHOAZDQAOCIU-QZTJIDSGSA-N 1 1 410.478 2.752 20 5 HFBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164632424 719111157 /nfs/dbraw/zinc/11/11/57/719111157.db2.gz ZJYHOAZDQAOCIU-MSOLQXFVSA-N 1 1 410.478 2.752 20 5 HFBDMO COc1cc2ncnc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2cc1[N+](=O)[O-] ZINC001164727732 720387207 /nfs/dbraw/zinc/38/72/07/720387207.db2.gz RFDZRIVOISBCSH-ZWKOTPCHSA-N 1 1 406.446 2.795 20 5 HFBDMO CCOc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)ccc1[N+](=O)[O-] ZINC001164840661 720578306 /nfs/dbraw/zinc/57/83/06/720578306.db2.gz QEYLLVYLWABHPA-RCCFBDPRSA-N 1 1 414.510 2.963 20 5 HFBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164839914 720701880 /nfs/dbraw/zinc/70/18/80/720701880.db2.gz CUOZAARECNZQBC-IBGZPJMESA-N 1 1 412.490 2.797 20 5 HFBDMO COCC[N@H+]1CCO[C@H]2CN(c3cc(C)c4cc([N+](=O)[O-])ccc4n3)CC[C@H]2C1 ZINC001164853719 720843488 /nfs/dbraw/zinc/84/34/88/720843488.db2.gz OSXVMRDVWYWJJQ-JXFKEZNVSA-N 1 1 400.479 2.625 20 5 HFBDMO COCC[N@H+]1CCO[C@H]2CN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])CC[C@H]2C1 ZINC001164857101 720850173 /nfs/dbraw/zinc/85/01/73/720850173.db2.gz XJAPDMUYNVJZCE-YOEHRIQHSA-N 1 1 420.897 2.970 20 5 HFBDMO COCC[N@H+]1CCO[C@@H]2CN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)CC[C@@H]2C1 ZINC001164855894 720877070 /nfs/dbraw/zinc/87/70/70/720877070.db2.gz ICMVFLIZCDUKGN-AUUYWEPGSA-N 1 1 420.897 2.970 20 5 HFBDMO COCC[N@H+]1CCO[C@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC[C@H]2C1 ZINC001164865020 720888853 /nfs/dbraw/zinc/88/88/53/720888853.db2.gz XXXFACHBZBSSLW-ICSRJNTNSA-N 1 1 412.490 2.830 20 5 HFBDMO Cc1cc([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1Cl ZINC001164888339 721401178 /nfs/dbraw/zinc/40/11/78/721401178.db2.gz OIWIBKNGHOCMIV-OXJNMPFZSA-N 1 1 423.945 2.717 20 5 HFBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164900454 721519794 /nfs/dbraw/zinc/51/97/94/721519794.db2.gz RCDDLNUWJORHDY-UKRRQHHQSA-N 1 1 407.833 2.828 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cnc3cc([N+](=O)[O-])ccc3n2)[C@H]2CCCO[C@H]12 ZINC001164811130 721537730 /nfs/dbraw/zinc/53/77/30/721537730.db2.gz YUICUMVZXKRXPH-VWPQPMDRSA-N 1 1 420.473 2.801 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cnc3cc([N+](=O)[O-])ccc3n2)[C@H]2CCCO[C@H]12 ZINC001164811130 721537735 /nfs/dbraw/zinc/53/77/35/721537735.db2.gz YUICUMVZXKRXPH-VWPQPMDRSA-N 1 1 420.473 2.801 20 5 HFBDMO CCOc1nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164902602 721546078 /nfs/dbraw/zinc/54/60/78/721546078.db2.gz AKZAZHZWEUYWKD-NVXWUHKLSA-N 1 1 402.426 2.870 20 5 HFBDMO COc1nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ncc1[N+](=O)[O-] ZINC001164901822 721583598 /nfs/dbraw/zinc/58/35/98/721583598.db2.gz BCFAIGTYVLVSGJ-GOSISDBHSA-N 1 1 420.420 2.526 20 5 HFBDMO O=[N+]([O-])c1ccc2ncc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2c1 ZINC001164983362 722103824 /nfs/dbraw/zinc/10/38/24/722103824.db2.gz PQOVUBLJVUJMKD-DYESRHJHSA-N 1 1 420.473 2.660 20 5 HFBDMO O=[N+]([O-])c1ccc2ncc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc2c1 ZINC001164983368 722103855 /nfs/dbraw/zinc/10/38/55/722103855.db2.gz PQOVUBLJVUJMKD-UWJYYQICSA-N 1 1 420.473 2.660 20 5 HFBDMO O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164973950 722152494 /nfs/dbraw/zinc/15/24/94/722152494.db2.gz NOOVZROTYPFFQQ-YLJYHZDGSA-N 1 1 420.473 2.660 20 5 HFBDMO COc1cc(C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000793183565 1078096116 /nfs/dbraw/zinc/09/61/16/1078096116.db2.gz UXHUZYWAJCJXIT-MRXNPFEDSA-N 1 1 412.393 2.874 20 5 HFBDMO C[C@@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC001129828430 1078522636 /nfs/dbraw/zinc/52/26/36/1078522636.db2.gz JMCCFYWPMGRGAN-MRXNPFEDSA-N 1 1 406.446 2.522 20 5 HFBDMO C[C@@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001129828430 1078522642 /nfs/dbraw/zinc/52/26/42/1078522642.db2.gz JMCCFYWPMGRGAN-MRXNPFEDSA-N 1 1 406.446 2.522 20 5 HFBDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000804530629 1078569247 /nfs/dbraw/zinc/56/92/47/1078569247.db2.gz JQUDDMRRFUUUCD-UHFFFAOYSA-N 1 1 405.252 2.709 20 5 HFBDMO COC(=O)c1cc(C)nc(Nc2cccc3c2CC[N@@H+](CC(C)(C)O)C3)c1[N+](=O)[O-] ZINC000804612421 1078660089 /nfs/dbraw/zinc/66/00/89/1078660089.db2.gz RKNCHQSRVDEXIL-UHFFFAOYSA-N 1 1 414.462 2.957 20 5 HFBDMO COc1cc(OCC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)ccc1[N+](=O)[O-] ZINC001130124877 1078975267 /nfs/dbraw/zinc/97/52/67/1078975267.db2.gz NHUYLRZZYYYURY-XLIONFOSSA-N 1 1 411.458 2.715 20 5 HFBDMO Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000746691334 1076860471 /nfs/dbraw/zinc/86/04/71/1076860471.db2.gz XJDXBQKRGXQWAO-UHFFFAOYSA-N 1 1 417.285 2.573 20 5 HFBDMO CN(C)c1cc(F)c(C(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000791210398 1077345321 /nfs/dbraw/zinc/34/53/21/1077345321.db2.gz HNNIPNOCLLNZDB-UHFFFAOYSA-N 1 1 400.454 2.978 20 5 HFBDMO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000790080711 1077925044 /nfs/dbraw/zinc/92/50/44/1077925044.db2.gz VNKCJYNOMDAGPX-GOSISDBHSA-N 1 1 418.494 2.719 20 5 HFBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000790080711 1077925045 /nfs/dbraw/zinc/92/50/45/1077925045.db2.gz VNKCJYNOMDAGPX-GOSISDBHSA-N 1 1 418.494 2.719 20 5 HFBDMO CCOC(=O)c1cc2n(n1)CCC[N@H+]([C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C2 ZINC001170336134 1077947205 /nfs/dbraw/zinc/94/72/05/1077947205.db2.gz UKWXKJNZAODXHN-AWEZNQCLSA-N 1 1 402.451 2.814 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2C[C@@H]3CN(Cc4ccco4)CCO[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170341838 1077953586 /nfs/dbraw/zinc/95/35/86/1077953586.db2.gz SNDKGMUSZJDFOT-SGXKBVARSA-N 1 1 415.490 2.960 20 5 HFBDMO COc1ccc(C[C@H](C)N2C[C@@H]3C[N@H+](Cc4ccco4)CCO[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170341838 1077953589 /nfs/dbraw/zinc/95/35/89/1077953589.db2.gz SNDKGMUSZJDFOT-SGXKBVARSA-N 1 1 415.490 2.960 20 5 HFBDMO COc1ccc(C[C@H](C)N2C[C@@H]3C[N@@H+](Cc4ccco4)CCO[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170341838 1077953590 /nfs/dbraw/zinc/95/35/90/1077953590.db2.gz SNDKGMUSZJDFOT-SGXKBVARSA-N 1 1 415.490 2.960 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@H+]2C[C@@H]3COC[C@]3(COc3cccnc3)C2)c([N+](=O)[O-])c1 ZINC001170342884 1077953623 /nfs/dbraw/zinc/95/36/23/1077953623.db2.gz XNJCZDKLIOFRHH-CDMIOBSGSA-N 1 1 413.474 2.957 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2Cc3nccn3C[C@H](Cn3cccn3)C2)c([N+](=O)[O-])c1 ZINC001170343560 1077953927 /nfs/dbraw/zinc/95/39/27/1077953927.db2.gz QOIOXJXJEUXMTF-IRXDYDNUSA-N 1 1 410.478 2.760 20 5 HFBDMO COc1ccc(C[C@H](C)[N@@H+]2Cc3nccn3C[C@H](Cn3cccn3)C2)c([N+](=O)[O-])c1 ZINC001170343560 1077953929 /nfs/dbraw/zinc/95/39/29/1077953929.db2.gz QOIOXJXJEUXMTF-IRXDYDNUSA-N 1 1 410.478 2.760 20 5 HFBDMO Cc1[nH+]ccn1-c1ccc(CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])cn1 ZINC000790266674 1077990253 /nfs/dbraw/zinc/99/02/53/1077990253.db2.gz IOTXGONQAHMIEP-UHFFFAOYSA-N 1 1 408.462 2.928 20 5 HFBDMO COc1ccc([C@H](C[NH+](C)C)NS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cc1 ZINC000790479833 1078041030 /nfs/dbraw/zinc/04/10/30/1078041030.db2.gz GOHAWSMVYFJDIZ-INIZCTEOSA-N 1 1 411.455 2.632 20 5 HFBDMO COCC[N@@H+]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C(C)(C)C1 ZINC001130635584 1079724583 /nfs/dbraw/zinc/72/45/83/1079724583.db2.gz HHZGMEDALZCLKV-UHFFFAOYSA-N 1 1 400.273 2.540 20 5 HFBDMO COCC[N@H+]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C(C)(C)C1 ZINC001130635584 1079724591 /nfs/dbraw/zinc/72/45/91/1079724591.db2.gz HHZGMEDALZCLKV-UHFFFAOYSA-N 1 1 400.273 2.540 20 5 HFBDMO COCC[N@@H+]1CCN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001130635816 1079726338 /nfs/dbraw/zinc/72/63/38/1079726338.db2.gz PWHGTLGULKADMB-UHFFFAOYSA-N 1 1 414.300 2.849 20 5 HFBDMO COCC[N@H+]1CCN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001130635816 1079726344 /nfs/dbraw/zinc/72/63/44/1079726344.db2.gz PWHGTLGULKADMB-UHFFFAOYSA-N 1 1 414.300 2.849 20 5 HFBDMO CCCSc1nc(Cl)c([N+](=O)[O-])c(NC2=C(C(=O)OCC)C[NH2+]CC2)n1 ZINC001170513042 1080074410 /nfs/dbraw/zinc/07/44/10/1080074410.db2.gz FEQHTBBAUXHFBE-UHFFFAOYSA-N 1 1 401.876 2.763 20 5 HFBDMO C[C@@H]1[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000807543390 1080757971 /nfs/dbraw/zinc/75/79/71/1080757971.db2.gz GICDAXCOVKPGJX-DYVFJYSZSA-N 1 1 416.865 2.966 20 5 HFBDMO C[C@H]1[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000807543391 1080758247 /nfs/dbraw/zinc/75/82/47/1080758247.db2.gz GICDAXCOVKPGJX-GUYCJALGSA-N 1 1 416.865 2.966 20 5 HFBDMO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3C[C@@H](C)[N@H+](C)C[C@@H]3C)c2c1C ZINC001164635940 719246744 /nfs/dbraw/zinc/24/67/44/719246744.db2.gz RLEMWGXFZQIJAU-NEPJUHHUSA-N 1 1 415.523 2.990 20 5 HFBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001164648683 719313176 /nfs/dbraw/zinc/31/31/76/719313176.db2.gz KKHHUWYOGZSGRG-UHFFFAOYSA-N 1 1 416.482 2.568 20 5 HFBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)ncc3[N+](=O)[O-])C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164832433 720509286 /nfs/dbraw/zinc/50/92/86/720509286.db2.gz AQBZNKHBFSPOMW-SOUVJXGZSA-N 1 1 405.890 2.613 20 5 HFBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164839917 720701300 /nfs/dbraw/zinc/70/13/00/720701300.db2.gz CUOZAARECNZQBC-LJQANCHMSA-N 1 1 412.490 2.797 20 5 HFBDMO O=[N+]([O-])c1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164748708 720810522 /nfs/dbraw/zinc/81/05/22/720810522.db2.gz RBPAACHPIDCUEE-HYVNUMGLSA-N 1 1 417.901 2.614 20 5 HFBDMO Cc1cc(Cl)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164868385 721071157 /nfs/dbraw/zinc/07/11/57/721071157.db2.gz OFVZLANRIOSRSK-JKSUJKDBSA-N 1 1 403.870 2.826 20 5 HFBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)cc(Cl)c4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164762587 721120080 /nfs/dbraw/zinc/12/00/80/721120080.db2.gz CYIAFXNBXVORQJ-CHWSQXEVSA-N 1 1 411.293 2.988 20 5 HFBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)cc(Cl)c4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164762612 721121324 /nfs/dbraw/zinc/12/13/24/721121324.db2.gz CYIAFXNBXVORQJ-STQMWFEESA-N 1 1 411.293 2.988 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)[C@H]2CCCO[C@H]12 ZINC001164803371 721588281 /nfs/dbraw/zinc/58/82/81/721588281.db2.gz HUHKZGFWMNHQMR-ZVDOUQERSA-N 1 1 420.473 2.801 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)[C@H]2CCCO[C@H]12 ZINC001164803371 721588283 /nfs/dbraw/zinc/58/82/83/721588283.db2.gz HUHKZGFWMNHQMR-ZVDOUQERSA-N 1 1 420.473 2.801 20 5 HFBDMO Cc1nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ncc1[N+](=O)[O-] ZINC001164912647 721732758 /nfs/dbraw/zinc/73/27/58/721732758.db2.gz PDAOUSQYHPKROM-GOSISDBHSA-N 1 1 404.421 2.826 20 5 HFBDMO O=[N+]([O-])c1ccc2nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)cnc2c1 ZINC001164984296 722105867 /nfs/dbraw/zinc/10/58/67/722105867.db2.gz SCZREBIOCJGIAW-UTKZUKDTSA-N 1 1 420.473 2.660 20 5 HFBDMO O=[N+]([O-])c1ccc2ncnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164973184 722112155 /nfs/dbraw/zinc/11/21/55/722112155.db2.gz GTEBHMPFDURTHC-UWJYYQICSA-N 1 1 420.473 2.660 20 5 HFBDMO COc1cc(C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000793183562 1078096091 /nfs/dbraw/zinc/09/60/91/1078096091.db2.gz UXHUZYWAJCJXIT-INIZCTEOSA-N 1 1 412.393 2.874 20 5 HFBDMO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCC[N@H+](C)C2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000790835376 1078161241 /nfs/dbraw/zinc/16/12/41/1078161241.db2.gz CRDGWMUSZGGZRE-UHFFFAOYSA-N 1 1 414.484 2.663 20 5 HFBDMO Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000790879543 1078169118 /nfs/dbraw/zinc/16/91/18/1078169118.db2.gz GYMBJBAIVOPMTI-NWDGAFQWSA-N 1 1 414.484 2.519 20 5 HFBDMO CN(c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000804529742 1078567814 /nfs/dbraw/zinc/56/78/14/1078567814.db2.gz JBKRKWRZHMPJDL-QGZVFWFLSA-N 1 1 409.490 2.886 20 5 HFBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804808519 1078637508 /nfs/dbraw/zinc/63/75/08/1078637508.db2.gz IPCGITXVGABPQF-SFHVURJKSA-N 1 1 411.462 2.900 20 5 HFBDMO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000805761454 1079262944 /nfs/dbraw/zinc/26/29/44/1079262944.db2.gz WARLWPHVYFICEJ-INIZCTEOSA-N 1 1 422.482 2.875 20 5 HFBDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000787329229 1076742659 /nfs/dbraw/zinc/74/26/59/1076742659.db2.gz WAXNFSCRHNLMTG-MRXNPFEDSA-N 1 1 414.428 2.906 20 5 HFBDMO C[N@@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000746703717 1076907237 /nfs/dbraw/zinc/90/72/37/1076907237.db2.gz QXSUMAGKNCDEQT-CYBMUJFWSA-N 1 1 407.496 2.850 20 5 HFBDMO C[N@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000746703717 1076907238 /nfs/dbraw/zinc/90/72/38/1076907238.db2.gz QXSUMAGKNCDEQT-CYBMUJFWSA-N 1 1 407.496 2.850 20 5 HFBDMO NC(=O)C[N@@H+]1CCc2ccc(NC3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2C1 ZINC000788610224 1077206656 /nfs/dbraw/zinc/20/66/56/1077206656.db2.gz SDHHOWOECPULIF-UHFFFAOYSA-N 1 1 409.490 2.519 20 5 HFBDMO NC(=O)C[N@H+]1CCc2ccc(NC3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2C1 ZINC000788610224 1077206659 /nfs/dbraw/zinc/20/66/59/1077206659.db2.gz SDHHOWOECPULIF-UHFFFAOYSA-N 1 1 409.490 2.519 20 5 HFBDMO CCC[C@@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000790911786 1077246989 /nfs/dbraw/zinc/24/69/89/1077246989.db2.gz LLZMNIWSGZOSRO-CQSZACIVSA-N 1 1 401.866 2.889 20 5 HFBDMO CN(C)c1cc(F)c(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000791196965 1077320510 /nfs/dbraw/zinc/32/05/10/1077320510.db2.gz YNIPKKWJCMRCCB-UHFFFAOYSA-N 1 1 400.454 2.800 20 5 HFBDMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)CC2)cc1 ZINC000791312245 1077383067 /nfs/dbraw/zinc/38/30/67/1077383067.db2.gz SFOFYNIYCQHOPG-UHFFFAOYSA-N 1 1 402.426 2.673 20 5 HFBDMO COc1ccc(C[N@H+]2CCCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)CC2)cc1 ZINC000791312245 1077383073 /nfs/dbraw/zinc/38/30/73/1077383073.db2.gz SFOFYNIYCQHOPG-UHFFFAOYSA-N 1 1 402.426 2.673 20 5 HFBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C1([NH+]2CCOCC2)CCCC1 ZINC000791374947 1077385846 /nfs/dbraw/zinc/38/58/46/1077385846.db2.gz WBRBPOKNZOJHEJ-CQSZACIVSA-N 1 1 408.474 2.563 20 5 HFBDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000791974731 1077615927 /nfs/dbraw/zinc/61/59/27/1077615927.db2.gz GKCGXXNPUDRUPQ-FPOVZHCZSA-N 1 1 422.485 2.858 20 5 HFBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789524536 1077620908 /nfs/dbraw/zinc/62/09/08/1077620908.db2.gz GGYDCEGRFDSXCM-IBGZPJMESA-N 1 1 414.437 2.795 20 5 HFBDMO CC(C)N1CC[NH+](CCCOC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000792042812 1077690214 /nfs/dbraw/zinc/69/02/14/1077690214.db2.gz ZGQWLFDNBQFXDO-UHFFFAOYSA-N 1 1 414.300 2.930 20 5 HFBDMO COc1ccc(C[C@H](C)[N@@H+]2C[C@@H](N3CCCC3=O)[C@H]3OCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170336372 1077947410 /nfs/dbraw/zinc/94/74/10/1077947410.db2.gz XDAMHEDDXNQODY-JGGXIQRISA-N 1 1 417.506 2.636 20 5 HFBDMO COc1ccc(C[C@H](C)[N@@H+]2CCCn3c(Cn4cccc4)nnc3C2)c([N+](=O)[O-])c1 ZINC001170339413 1077952393 /nfs/dbraw/zinc/95/23/93/1077952393.db2.gz BHQGQXCQYOHPJK-INIZCTEOSA-N 1 1 410.478 2.882 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2CCCn3c(Cn4cccc4)nnc3C2)c([N+](=O)[O-])c1 ZINC001170339413 1077952395 /nfs/dbraw/zinc/95/23/95/1077952395.db2.gz BHQGQXCQYOHPJK-INIZCTEOSA-N 1 1 410.478 2.882 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170339851 1077952553 /nfs/dbraw/zinc/95/25/53/1077952553.db2.gz KAOZKTBOMHPEFQ-DBVUQKKJSA-N 1 1 413.522 2.722 20 5 HFBDMO COc1ccc(C[C@@H](C)[NH+]2CC3(C2)CCN(C(=O)c2cccnc2)C3)c([N+](=O)[O-])c1 ZINC001170341311 1077953378 /nfs/dbraw/zinc/95/33/78/1077953378.db2.gz INHVVULNAROPNI-MRXNPFEDSA-N 1 1 410.474 2.778 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2C[C@@H]3COC[C@]3(COc3cccnc3)C2)c([N+](=O)[O-])c1 ZINC001170342885 1077953691 /nfs/dbraw/zinc/95/36/91/1077953691.db2.gz XNJCZDKLIOFRHH-CECAUBDESA-N 1 1 413.474 2.957 20 5 HFBDMO Cc1c(C[N@H+]2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000747095872 1078039052 /nfs/dbraw/zinc/03/90/52/1078039052.db2.gz VCVXFXJYOIXAHR-QGZVFWFLSA-N 1 1 420.510 2.756 20 5 HFBDMO Cc1nc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1[N+](=O)[O-] ZINC001164836620 720508659 /nfs/dbraw/zinc/50/86/59/720508659.db2.gz NHAHCBBXVANOCI-OWCLPIDISA-N 1 1 419.917 2.921 20 5 HFBDMO COc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c([N+](=O)[O-])c1 ZINC001164835429 720535873 /nfs/dbraw/zinc/53/58/73/720535873.db2.gz HJFUTQAYIXDVED-JFIYKMOQSA-N 1 1 400.483 2.573 20 5 HFBDMO COc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c([N+](=O)[O-])c1 ZINC001164835433 720536246 /nfs/dbraw/zinc/53/62/46/720536246.db2.gz HJFUTQAYIXDVED-SOLBZPMBSA-N 1 1 400.483 2.573 20 5 HFBDMO O=[N+]([O-])c1cnc(Cl)cc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164737959 720816607 /nfs/dbraw/zinc/81/66/07/720816607.db2.gz CSBYLUHSKSXBIA-ARFHVFGLSA-N 1 1 417.901 2.614 20 5 HFBDMO Cc1cc(Cl)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164868383 721071792 /nfs/dbraw/zinc/07/17/92/721071792.db2.gz OFVZLANRIOSRSK-HZPDHXFCSA-N 1 1 403.870 2.826 20 5 HFBDMO Cc1nc(Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1[N+](=O)[O-] ZINC001164794342 721527336 /nfs/dbraw/zinc/52/73/36/721527336.db2.gz BZHHVQYTPRSWEI-HLLBOEOZSA-N 1 1 418.885 2.610 20 5 HFBDMO Cc1nc(Cl)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1[N+](=O)[O-] ZINC001164794342 721527339 /nfs/dbraw/zinc/52/73/39/721527339.db2.gz BZHHVQYTPRSWEI-HLLBOEOZSA-N 1 1 418.885 2.610 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])[C@H]2CCCO[C@H]12 ZINC001164794417 721528212 /nfs/dbraw/zinc/52/82/12/721528212.db2.gz CZCBQAPJYWLWIJ-JQHSSLGASA-N 1 1 403.870 2.906 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])[C@H]2CCCO[C@H]12 ZINC001164794417 721528214 /nfs/dbraw/zinc/52/82/14/721528214.db2.gz CZCBQAPJYWLWIJ-JQHSSLGASA-N 1 1 403.870 2.906 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164796160 721528292 /nfs/dbraw/zinc/52/82/92/721528292.db2.gz WSXQNDLYNANOPE-RCCFBDPRSA-N 1 1 403.870 2.906 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164796160 721528297 /nfs/dbraw/zinc/52/82/97/721528297.db2.gz WSXQNDLYNANOPE-RCCFBDPRSA-N 1 1 403.870 2.906 20 5 HFBDMO Cc1ncc([N+](=O)[O-])c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164906198 721700641 /nfs/dbraw/zinc/70/06/41/721700641.db2.gz MADRKYDBVXDQQX-GOSISDBHSA-N 1 1 404.421 2.826 20 5 HFBDMO O=[N+]([O-])c1cc(Cl)nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164981799 722100725 /nfs/dbraw/zinc/10/07/25/722100725.db2.gz MMJFDQLEIIJXKB-DOTOQJQBSA-N 1 1 403.870 2.766 20 5 HFBDMO Cc1cn(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000772829098 1078100835 /nfs/dbraw/zinc/10/08/35/1078100835.db2.gz RGRDNTNQQQRTTR-MJGOQNOKSA-N 1 1 411.506 2.762 20 5 HFBDMO Cc1cn(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000772829094 1078100318 /nfs/dbraw/zinc/10/03/18/1078100318.db2.gz RGRDNTNQQQRTTR-HKUYNNGSSA-N 1 1 411.506 2.762 20 5 HFBDMO C[N@H+]1CCC[C@@H](CNC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000790770028 1078128504 /nfs/dbraw/zinc/12/85/04/1078128504.db2.gz NYJMMAYUKXAELE-LBPRGKRZSA-N 1 1 411.300 2.767 20 5 HFBDMO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000793601496 1078220887 /nfs/dbraw/zinc/22/08/87/1078220887.db2.gz XJCAYGRCFNDZCZ-QFIPXVFZSA-N 1 1 424.457 2.611 20 5 HFBDMO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000793601496 1078220890 /nfs/dbraw/zinc/22/08/90/1078220890.db2.gz XJCAYGRCFNDZCZ-QFIPXVFZSA-N 1 1 424.457 2.611 20 5 HFBDMO COc1cc(F)c([N+](=O)[O-])c(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000747216146 1078666718 /nfs/dbraw/zinc/66/67/18/1078666718.db2.gz LSZMEBJNYOFEHU-UHFFFAOYSA-N 1 1 402.470 2.997 20 5 HFBDMO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000805750933 1079230636 /nfs/dbraw/zinc/23/06/36/1079230636.db2.gz XLPXHVYAJVVWIP-DYESRHJHSA-N 1 1 409.490 2.722 20 5 HFBDMO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000805774964 1079248319 /nfs/dbraw/zinc/24/83/19/1079248319.db2.gz WQGWCMJKLJWIRJ-INIZCTEOSA-N 1 1 420.466 2.884 20 5 HFBDMO C[C@@H](C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)[NH+]1CCSCC1 ZINC000791233595 1077338968 /nfs/dbraw/zinc/33/89/68/1077338968.db2.gz DCFHEQBFQLNNPN-NSHDSACASA-N 1 1 414.325 2.679 20 5 HFBDMO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000789474101 1077566970 /nfs/dbraw/zinc/56/69/70/1077566970.db2.gz BDTRYTZLLPLLQF-OAHLLOKOSA-N 1 1 423.466 2.588 20 5 HFBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000789474101 1077566974 /nfs/dbraw/zinc/56/69/74/1077566974.db2.gz BDTRYTZLLPLLQF-OAHLLOKOSA-N 1 1 423.466 2.588 20 5 HFBDMO Cc1c(NC(=O)CC[N@H+](C)[C@H]2CCN(Cc3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000789517698 1077612499 /nfs/dbraw/zinc/61/24/99/1077612499.db2.gz NSBLJVNMEAKQRP-FQEVSTJZSA-N 1 1 410.474 2.965 20 5 HFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789521176 1077615121 /nfs/dbraw/zinc/61/51/21/1077615121.db2.gz LBYOJTNERUHALR-FQEVSTJZSA-N 1 1 410.474 2.965 20 5 HFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](CCO)Cc2ccc(Br)s2)c1 ZINC000792485100 1077878039 /nfs/dbraw/zinc/87/80/39/1077878039.db2.gz SPIKUNZEAFEKBD-AWEZNQCLSA-N 1 1 401.282 2.947 20 5 HFBDMO Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000790020306 1077916311 /nfs/dbraw/zinc/91/63/11/1077916311.db2.gz KWRITDBOVBFTSV-GFCCVEGCSA-N 1 1 418.313 2.523 20 5 HFBDMO Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000790020306 1077916313 /nfs/dbraw/zinc/91/63/13/1077916313.db2.gz KWRITDBOVBFTSV-GFCCVEGCSA-N 1 1 418.313 2.523 20 5 HFBDMO COc1ccc(C[C@@H](C)[NH2+]CCN2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001170298160 1077931154 /nfs/dbraw/zinc/93/11/54/1077931154.db2.gz HACKKDWMTXEFKZ-LJQANCHMSA-N 1 1 412.534 2.942 20 5 HFBDMO CCOC(=O)[C@H]1Cn2nccc2[C@H](C)[N@@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170354907 1077949021 /nfs/dbraw/zinc/94/90/21/1077949021.db2.gz RSCWACQUGOBFDZ-HLLBOEOZSA-N 1 1 416.478 2.987 20 5 HFBDMO CCOC(=O)[C@H]1Cn2nccc2[C@H](C)[N@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170354907 1077949024 /nfs/dbraw/zinc/94/90/24/1077949024.db2.gz RSCWACQUGOBFDZ-HLLBOEOZSA-N 1 1 416.478 2.987 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@@H+]2CCO[C@]3(CCCN(C(=O)C(C)C)C3)C2)c([N+](=O)[O-])c1 ZINC001170339403 1077952355 /nfs/dbraw/zinc/95/23/55/1077952355.db2.gz AZZVBYNBHHLPDZ-VGOFRKELSA-N 1 1 419.522 2.884 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@H+]2CCO[C@]3(CCCN(C(=O)C(C)C)C3)C2)c([N+](=O)[O-])c1 ZINC001170339403 1077952356 /nfs/dbraw/zinc/95/23/56/1077952356.db2.gz AZZVBYNBHHLPDZ-VGOFRKELSA-N 1 1 419.522 2.884 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)c([N+](=O)[O-])c1 ZINC001170340860 1077953117 /nfs/dbraw/zinc/95/31/17/1077953117.db2.gz GWVRXNAWBHWSRI-VHSSKADRSA-N 1 1 416.503 2.980 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@@H+]2CCc3onc(C(=O)N4CCCC4)c3C2)c([N+](=O)[O-])c1 ZINC001170340857 1077953146 /nfs/dbraw/zinc/95/31/46/1077953146.db2.gz GWSREHFMUNVDSH-CQSZACIVSA-N 1 1 414.462 2.817 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@H+]2CCc3onc(C(=O)N4CCCC4)c3C2)c([N+](=O)[O-])c1 ZINC001170340857 1077953150 /nfs/dbraw/zinc/95/31/50/1077953150.db2.gz GWSREHFMUNVDSH-CQSZACIVSA-N 1 1 414.462 2.817 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@@]3(CC(C(=O)N(C)C(C)C)=NO3)C2)c([N+](=O)[O-])c1 ZINC001170340519 1077953167 /nfs/dbraw/zinc/95/31/67/1077953167.db2.gz MTFUOTXWHZJXKS-QVKFZJNVSA-N 1 1 418.494 2.622 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@H+]2CC[C@@]3(CC(C(=O)N(C)C(C)C)=NO3)C2)c([N+](=O)[O-])c1 ZINC001170340519 1077953169 /nfs/dbraw/zinc/95/31/69/1077953169.db2.gz MTFUOTXWHZJXKS-QVKFZJNVSA-N 1 1 418.494 2.622 20 5 HFBDMO CCN1C(=O)[C@]2(CC[C@@H]3C[N@H+]([C@@H](C)Cc4ccc(OC)cc4[N+](=O)[O-])C[C@@H]32)N=C1C ZINC001170341863 1077953615 /nfs/dbraw/zinc/95/36/15/1077953615.db2.gz SURYYMQVKGHICO-PONRLDDASA-N 1 1 414.506 2.896 20 5 HFBDMO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000772824741 1078039666 /nfs/dbraw/zinc/03/96/66/1078039666.db2.gz CBSCKJRSURNORZ-DYESRHJHSA-N 1 1 409.490 2.725 20 5 HFBDMO CC(C)n1nc(CN(C)C)c2c1CN(c1cc(/C=C\[NH+](C)C)c([N+](=O)[O-])cn1)CC2 ZINC001164653819 719314671 /nfs/dbraw/zinc/31/46/71/719314671.db2.gz ZQIJXKNMQKNZMH-CLFYSBASSA-N 1 1 413.526 2.924 20 5 HFBDMO COc1cnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c([N+](=O)[O-])c1 ZINC001164694733 719891493 /nfs/dbraw/zinc/89/14/93/719891493.db2.gz DMWOORNGNDEKCH-UHFFFAOYSA-N 1 1 404.492 2.931 20 5 HFBDMO COc1cnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c([N+](=O)[O-])c1 ZINC001164694733 719891497 /nfs/dbraw/zinc/89/14/97/719891497.db2.gz DMWOORNGNDEKCH-UHFFFAOYSA-N 1 1 404.492 2.931 20 5 HFBDMO COc1cc(C)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1[N+](=O)[O-] ZINC001164842963 720535663 /nfs/dbraw/zinc/53/56/63/720535663.db2.gz ZFCOPEXBEFVMBF-OKZBNKHCSA-N 1 1 414.510 2.881 20 5 HFBDMO COCC[N@H+]1CCO[C@H]2CN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164857098 720850166 /nfs/dbraw/zinc/85/01/66/720850166.db2.gz XJAPDMUYNVJZCE-PBHICJAKSA-N 1 1 420.897 2.970 20 5 HFBDMO Cc1cc([N+](=O)[O-])c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1Cl ZINC001164866836 721072260 /nfs/dbraw/zinc/07/22/60/721072260.db2.gz GFZPKOVLPWBYJQ-HZPDHXFCSA-N 1 1 403.870 2.826 20 5 HFBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)c(Cl)cc4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164772635 721099618 /nfs/dbraw/zinc/09/96/18/721099618.db2.gz VJDGFNFWZCIUSA-STQMWFEESA-N 1 1 411.293 2.988 20 5 HFBDMO CSc1nc(Cl)nc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164785044 721413347 /nfs/dbraw/zinc/41/33/47/721413347.db2.gz MEQVDCNPDZJRMF-UWVGGRQHSA-N 1 1 412.928 2.785 20 5 HFBDMO Cc1nc(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164900166 721511340 /nfs/dbraw/zinc/51/13/40/721511340.db2.gz OSDGJLYNXZJFLC-ZFWWWQNUSA-N 1 1 407.833 2.828 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]12 ZINC001164794419 721527854 /nfs/dbraw/zinc/52/78/54/721527854.db2.gz CZCBQAPJYWLWIJ-KBAYOESNSA-N 1 1 403.870 2.906 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]12 ZINC001164794419 721527857 /nfs/dbraw/zinc/52/78/57/721527857.db2.gz CZCBQAPJYWLWIJ-KBAYOESNSA-N 1 1 403.870 2.906 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)[C@H]2CCCO[C@H]12 ZINC001164807217 721549632 /nfs/dbraw/zinc/54/96/32/721549632.db2.gz QOPOZEJGJWHQMV-HBMCJLEFSA-N 1 1 420.473 2.801 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)[C@H]2CCCO[C@H]12 ZINC001164807217 721549634 /nfs/dbraw/zinc/54/96/34/721549634.db2.gz QOPOZEJGJWHQMV-HBMCJLEFSA-N 1 1 420.473 2.801 20 5 HFBDMO COc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165019698 721812278 /nfs/dbraw/zinc/81/22/78/721812278.db2.gz BLLLPPVPQIZLAF-SZMVWBNQSA-N 1 1 412.494 2.834 20 5 HFBDMO COc1ncnc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c1[N+](=O)[O-] ZINC001164939373 721925978 /nfs/dbraw/zinc/92/59/78/721925978.db2.gz KOSNUXVTVBIVJV-UHFFFAOYSA-N 1 1 413.478 2.573 20 5 HFBDMO O=[N+]([O-])c1ccc2ncc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc2c1 ZINC001164983366 722103769 /nfs/dbraw/zinc/10/37/69/722103769.db2.gz PQOVUBLJVUJMKD-UTKZUKDTSA-N 1 1 420.473 2.660 20 5 HFBDMO CCOc1cc(N2CCN(C(=O)CCCn3cc[nH+]c3C)CC2)ccc1[N+](=O)[O-] ZINC000794039927 1078364256 /nfs/dbraw/zinc/36/42/56/1078364256.db2.gz DOWACYHUGBQENS-UHFFFAOYSA-N 1 1 401.467 2.627 20 5 HFBDMO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC001130098248 1078948881 /nfs/dbraw/zinc/94/88/81/1078948881.db2.gz MLTWMBSGVZEIMS-LLVKDONJSA-N 1 1 417.247 2.674 20 5 HFBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000787352718 1076792696 /nfs/dbraw/zinc/79/26/96/1076792696.db2.gz OINKODJIPLJRCD-CQSZACIVSA-N 1 1 422.482 2.921 20 5 HFBDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000788292963 1077100035 /nfs/dbraw/zinc/10/00/35/1077100035.db2.gz KECHVIIDGCPLLC-UHFFFAOYSA-N 1 1 406.406 2.773 20 5 HFBDMO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000790998094 1077264334 /nfs/dbraw/zinc/26/43/34/1077264334.db2.gz GAMLQDXFLUPEKT-CQSZACIVSA-N 1 1 412.899 2.711 20 5 HFBDMO CC(C)N1CC[NH+](CCCOC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000791764135 1077556691 /nfs/dbraw/zinc/55/66/91/1077556691.db2.gz ARMSMHCJOCIIDL-UHFFFAOYSA-N 1 1 415.494 2.568 20 5 HFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789525601 1077622115 /nfs/dbraw/zinc/62/21/15/1077622115.db2.gz NPKTVOOTYAVINW-HXUWFJFHSA-N 1 1 410.474 2.965 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@H+]2CCC[C@H](Oc3nccc(OC)n3)C2)c([N+](=O)[O-])c1 ZINC001170355649 1077949253 /nfs/dbraw/zinc/94/92/53/1077949253.db2.gz NYNIVJHKZVPFQC-PBHICJAKSA-N 1 1 402.451 2.876 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@H]3OCC[C@@]3(C(=O)NCC3CC3)C2)c([N+](=O)[O-])c1 ZINC001170339412 1077952302 /nfs/dbraw/zinc/95/23/02/1077952302.db2.gz BHNJNFBNYLRYKZ-ZAOYMGCJSA-N 1 1 417.506 2.542 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2C[C@@H](OCc3cccnc3)[C@H]3COC[C@H]32)c([N+](=O)[O-])c1 ZINC001170340497 1077952830 /nfs/dbraw/zinc/95/28/30/1077952830.db2.gz MEHGCJSNARRQAS-RGGPELTISA-N 1 1 413.474 2.845 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2C[C@@H]3C[C@H](Cc4nc(C)no4)O[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170341529 1077953475 /nfs/dbraw/zinc/95/34/75/1077953475.db2.gz JXCMXPDPRWPBBB-FAAYRAOTSA-N 1 1 402.451 2.558 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@H+]2CC[C@H]3O[C@H](C(=O)N4CCCC4)CC[C@H]32)c([N+](=O)[O-])c1 ZINC001170341948 1077953579 /nfs/dbraw/zinc/95/35/79/1077953579.db2.gz KYRGAWHRWCBLJJ-SKBHOOIQSA-N 1 1 417.506 2.779 20 5 HFBDMO C[C@]1(NC(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001130614361 1079642024 /nfs/dbraw/zinc/64/20/24/1079642024.db2.gz VUYOAIVVBMFJDV-QFIPXVFZSA-N 1 1 420.473 2.629 20 5 HFBDMO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3C[C@@H](C)[N@H+](C)C[C@H]3C)c2c1C ZINC001164635954 719246708 /nfs/dbraw/zinc/24/67/08/719246708.db2.gz RLEMWGXFZQIJAU-VXGBXAGGSA-N 1 1 415.523 2.990 20 5 HFBDMO CNC(=O)C[N@H+]1CCCC12CCN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)CC2 ZINC001164690047 719753565 /nfs/dbraw/zinc/75/35/65/719753565.db2.gz RBDAVFSHPKCJEP-UHFFFAOYSA-N 1 1 409.490 2.838 20 5 HFBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])C2 ZINC001164812692 720092440 /nfs/dbraw/zinc/09/24/40/720092440.db2.gz RFQCOLUGYQJOSR-SJKOYZFVSA-N 1 1 416.309 2.876 20 5 HFBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])C2 ZINC001164812689 720092766 /nfs/dbraw/zinc/09/27/66/720092766.db2.gz RFQCOLUGYQJOSR-SJCJKPOMSA-N 1 1 416.309 2.876 20 5 HFBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(/C=C\N(C)C)c([N+](=O)[O-])cn1)C2 ZINC001164814997 720162683 /nfs/dbraw/zinc/16/26/83/720162683.db2.gz GLPIDIZWMWLHSK-AVQVHJDXSA-N 1 1 415.538 2.707 20 5 HFBDMO COCC[N@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC[C@H]2C1 ZINC001164865018 720888833 /nfs/dbraw/zinc/88/88/33/720888833.db2.gz XXXFACHBZBSSLW-AZUAARDMSA-N 1 1 412.490 2.830 20 5 HFBDMO COCC[N@H+]1CCO[C@H]2CN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164862943 720889705 /nfs/dbraw/zinc/88/97/05/720889705.db2.gz SDBDLLNQCMMIMT-BEFAXECRSA-N 1 1 420.897 2.970 20 5 HFBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001164863576 720980576 /nfs/dbraw/zinc/98/05/76/720980576.db2.gz WSKYYNYDAWAFGU-CQSZACIVSA-N 1 1 416.482 2.784 20 5 HFBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164870590 721073714 /nfs/dbraw/zinc/07/37/14/721073714.db2.gz WISJBHLECJVCFO-HZPDHXFCSA-N 1 1 403.870 2.826 20 5 HFBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164781656 721394817 /nfs/dbraw/zinc/39/48/17/721394817.db2.gz CPBYDWBHBXECRZ-AOOOYVTPSA-N 1 1 412.928 2.785 20 5 HFBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164781656 721394822 /nfs/dbraw/zinc/39/48/22/721394822.db2.gz CPBYDWBHBXECRZ-AOOOYVTPSA-N 1 1 412.928 2.785 20 5 HFBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164781658 721394969 /nfs/dbraw/zinc/39/49/69/721394969.db2.gz CPBYDWBHBXECRZ-NXEZZACHSA-N 1 1 412.928 2.785 20 5 HFBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164891915 721402040 /nfs/dbraw/zinc/40/20/40/721402040.db2.gz WNTWBZGXAPWUPM-UZLBHIALSA-N 1 1 423.945 2.717 20 5 HFBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc([N+](=O)[O-])ccn1)CC2 ZINC001164785175 721450716 /nfs/dbraw/zinc/45/07/16/721450716.db2.gz GYFBWCYNKVIFSW-IBGZPJMESA-N 1 1 404.511 2.724 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)ncc2[N+](=O)[O-])[C@H]2CCCO[C@H]12 ZINC001164805140 721536985 /nfs/dbraw/zinc/53/69/85/721536985.db2.gz KZLNDRDAOKXMIE-YJLNNSPDSA-N 1 1 403.870 2.906 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)ncc2[N+](=O)[O-])[C@H]2CCCO[C@H]12 ZINC001164805140 721536989 /nfs/dbraw/zinc/53/69/89/721536989.db2.gz KZLNDRDAOKXMIE-YJLNNSPDSA-N 1 1 403.870 2.906 20 5 HFBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164965085 722025094 /nfs/dbraw/zinc/02/50/94/722025094.db2.gz ZSVXJKSMVAITKD-UHFFFAOYSA-N 1 1 411.462 2.664 20 5 HFBDMO O=[N+]([O-])c1cc(Cl)cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164979791 722110497 /nfs/dbraw/zinc/11/04/97/722110497.db2.gz QARZBAIMOHEPJE-WBVHZDCISA-N 1 1 403.870 2.766 20 5 HFBDMO Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000793011578 1078047950 /nfs/dbraw/zinc/04/79/50/1078047950.db2.gz TVAZIWPMHBKDGF-UHFFFAOYSA-N 1 1 401.467 2.884 20 5 HFBDMO C[C@H]1C[C@H](NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC[N@H+]1C ZINC000790771012 1078129154 /nfs/dbraw/zinc/12/91/54/1078129154.db2.gz UBWWQXWDLWCUHP-NWDGAFQWSA-N 1 1 411.300 2.908 20 5 HFBDMO O=[N+]([O-])c1ccc(N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c([N+](=O)[O-])c1 ZINC000804807490 1078636961 /nfs/dbraw/zinc/63/69/61/1078636961.db2.gz GXWWVAREIOKUMN-LJQANCHMSA-N 1 1 411.462 2.900 20 5 HFBDMO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC001130098249 1078948828 /nfs/dbraw/zinc/94/88/28/1078948828.db2.gz MLTWMBSGVZEIMS-NSHDSACASA-N 1 1 417.247 2.674 20 5 HFBDMO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000805751010 1079230753 /nfs/dbraw/zinc/23/07/53/1079230753.db2.gz XLPXHVYAJVVWIP-UWJYYQICSA-N 1 1 409.490 2.722 20 5 HFBDMO C[NH+](C)[C@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000747282810 1079354221 /nfs/dbraw/zinc/35/42/21/1079354221.db2.gz CENWSCDGGSKIJM-CQSZACIVSA-N 1 1 401.847 2.969 20 5 HFBDMO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CN1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788383037 1077137072 /nfs/dbraw/zinc/13/70/72/1077137072.db2.gz SQQLZHCNHQJOGI-UHFFFAOYSA-N 1 1 409.446 2.561 20 5 HFBDMO C[C@H](C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)[NH+]1CCSCC1 ZINC000791233594 1077338920 /nfs/dbraw/zinc/33/89/20/1077338920.db2.gz DCFHEQBFQLNNPN-LLVKDONJSA-N 1 1 414.325 2.679 20 5 HFBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)[C@H](C)C1 ZINC000791366521 1077394668 /nfs/dbraw/zinc/39/46/68/1077394668.db2.gz JSRABTRULDSERV-PBHICJAKSA-N 1 1 410.490 2.667 20 5 HFBDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000791582404 1077471585 /nfs/dbraw/zinc/47/15/85/1077471585.db2.gz GCUJCYNMAZDJPG-BBRMVZONSA-N 1 1 400.401 2.516 20 5 HFBDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000791582404 1077471588 /nfs/dbraw/zinc/47/15/88/1077471588.db2.gz GCUJCYNMAZDJPG-BBRMVZONSA-N 1 1 400.401 2.516 20 5 HFBDMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000789360928 1077537399 /nfs/dbraw/zinc/53/73/99/1077537399.db2.gz BBSHPKFVMKOQMQ-CRAIPNDOSA-N 1 1 415.446 2.984 20 5 HFBDMO CC(C)N1CC[NH+](CCCOC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000791995162 1077640810 /nfs/dbraw/zinc/64/08/10/1077640810.db2.gz PKTBFBBWCBZXLH-UHFFFAOYSA-N 1 1 414.300 2.930 20 5 HFBDMO CCOC[C@H]1C[N@@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])Cc2nnn(CC)c21 ZINC001170338415 1077952029 /nfs/dbraw/zinc/95/20/29/1077952029.db2.gz AKUIZEROMFERDH-GOEBONIOSA-N 1 1 403.483 2.782 20 5 HFBDMO CCOC[C@H]1C[N@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])Cc2nnn(CC)c21 ZINC001170338415 1077952032 /nfs/dbraw/zinc/95/20/32/1077952032.db2.gz AKUIZEROMFERDH-GOEBONIOSA-N 1 1 403.483 2.782 20 5 HFBDMO COc1ccc(C[C@H](C)[N@@H+]2CCc3nnc(Cn4cccc4)n3CC2)c([N+](=O)[O-])c1 ZINC001170338888 1077952335 /nfs/dbraw/zinc/95/23/35/1077952335.db2.gz FBNVAPXCHBLMGI-INIZCTEOSA-N 1 1 410.478 2.534 20 5 HFBDMO CCO[C@H]1CC[N@@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])[C@H]1Cc1cnn(C)c1 ZINC001170339168 1077952367 /nfs/dbraw/zinc/95/23/67/1077952367.db2.gz HVZOAWOHQKYKEH-NQERJWCQSA-N 1 1 402.495 2.990 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@@]3(C[C@@H]3C(=O)NCc3cccnc3)C2)c([N+](=O)[O-])c1 ZINC001170341535 1077953343 /nfs/dbraw/zinc/95/33/43/1077953343.db2.gz KAUUIDGKAVVYBE-LERMDLETSA-N 1 1 424.501 2.958 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@H+]2C[C@@H]3CN(Cc4ccco4)CCO[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170341839 1077953664 /nfs/dbraw/zinc/95/36/64/1077953664.db2.gz SNDKGMUSZJDFOT-TVTNDZMWSA-N 1 1 415.490 2.960 20 5 HFBDMO COc1ccc(C[C@@H](C)N2C[C@@H]3C[N@H+](Cc4ccco4)CCO[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170341839 1077953666 /nfs/dbraw/zinc/95/36/66/1077953666.db2.gz SNDKGMUSZJDFOT-TVTNDZMWSA-N 1 1 415.490 2.960 20 5 HFBDMO COc1ccc(C[C@@H](C)N2C[C@@H]3C[N@@H+](Cc4ccco4)CCO[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170341839 1077953667 /nfs/dbraw/zinc/95/36/67/1077953667.db2.gz SNDKGMUSZJDFOT-TVTNDZMWSA-N 1 1 415.490 2.960 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@@H](OCC(=O)NC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170351378 1077956082 /nfs/dbraw/zinc/95/60/82/1077956082.db2.gz FPUFKAUCOCSYML-MAUKXSAKSA-N 1 1 407.511 2.930 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170351619 1077956269 /nfs/dbraw/zinc/95/62/69/1077956269.db2.gz GLPUJWRJOXZLRP-YSGRDPCXSA-N 1 1 423.469 2.651 20 5 HFBDMO CC[N@@H+](CCCNC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)C1CCCCC1 ZINC001130585399 1079558770 /nfs/dbraw/zinc/55/87/70/1079558770.db2.gz HCGFGXGJFHHSAA-UHFFFAOYSA-N 1 1 404.467 2.664 20 5 HFBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164632435 719111919 /nfs/dbraw/zinc/11/19/19/719111919.db2.gz ZJYHOAZDQAOCIU-ZWKOTPCHSA-N 1 1 410.478 2.752 20 5 HFBDMO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3C[C@H](C)[N@H+](C)C[C@@H]3C)c2c1C ZINC001164635950 719246890 /nfs/dbraw/zinc/24/68/90/719246890.db2.gz RLEMWGXFZQIJAU-RYUDHWBXSA-N 1 1 415.523 2.990 20 5 HFBDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc3ccc([N+](=O)[O-])cc3n1)CCC2 ZINC001164814090 720218952 /nfs/dbraw/zinc/21/89/52/720218952.db2.gz STYVYAMHMCYJDO-UHFFFAOYSA-N 1 1 422.489 2.950 20 5 HFBDMO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164744124 720811442 /nfs/dbraw/zinc/81/14/42/720811442.db2.gz HKUOQRYBMRAOOD-HYVNUMGLSA-N 1 1 417.901 2.614 20 5 HFBDMO O=[N+]([O-])c1cnc(Cl)cc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164737964 720816936 /nfs/dbraw/zinc/81/69/36/720816936.db2.gz CSBYLUHSKSXBIA-OWCLPIDISA-N 1 1 417.901 2.614 20 5 HFBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164799067 721536449 /nfs/dbraw/zinc/53/64/49/721536449.db2.gz AMZHAMULLKJEQH-HLLBOEOZSA-N 1 1 418.885 2.610 20 5 HFBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164799067 721536454 /nfs/dbraw/zinc/53/64/54/721536454.db2.gz AMZHAMULLKJEQH-HLLBOEOZSA-N 1 1 418.885 2.610 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cnc3cc([N+](=O)[O-])ccc3n2)[C@@H]2CCCO[C@@H]12 ZINC001164811120 721537531 /nfs/dbraw/zinc/53/75/31/721537531.db2.gz YUICUMVZXKRXPH-KCZVDYSFSA-N 1 1 420.473 2.801 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cnc3cc([N+](=O)[O-])ccc3n2)[C@@H]2CCCO[C@@H]12 ZINC001164811120 721537535 /nfs/dbraw/zinc/53/75/35/721537535.db2.gz YUICUMVZXKRXPH-KCZVDYSFSA-N 1 1 420.473 2.801 20 5 HFBDMO CCc1cc(N2CC[C@@H]3[C@@H]2CC[N@H+]3CCN(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164935522 721883163 /nfs/dbraw/zinc/88/31/63/721883163.db2.gz XIFLCKJBSWRYNK-UXHICEINSA-N 1 1 410.522 2.829 20 5 HFBDMO CCc1cc(N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164935522 721883165 /nfs/dbraw/zinc/88/31/65/721883165.db2.gz XIFLCKJBSWRYNK-UXHICEINSA-N 1 1 410.522 2.829 20 5 HFBDMO O=[N+]([O-])c1cc(Cl)nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164982046 722100655 /nfs/dbraw/zinc/10/06/55/722100655.db2.gz MMJFDQLEIIJXKB-RDJZCZTQSA-N 1 1 403.870 2.766 20 5 HFBDMO O=[N+]([O-])c1c(Cl)ccnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984751 722101108 /nfs/dbraw/zinc/10/11/08/722101108.db2.gz UTKYKHLNOPGHTC-NVXWUHKLSA-N 1 1 403.870 2.766 20 5 HFBDMO O=[N+]([O-])c1ccc2ncnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164973180 722112174 /nfs/dbraw/zinc/11/21/74/722112174.db2.gz GTEBHMPFDURTHC-UTKZUKDTSA-N 1 1 420.473 2.660 20 5 HFBDMO COc1nc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc(OC)c1[N+](=O)[O-] ZINC001164994830 722199880 /nfs/dbraw/zinc/19/98/80/722199880.db2.gz QAKBZHAALYCXFJ-FQEVSTJZSA-N 1 1 417.441 2.786 20 5 HFBDMO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000793002033 1078045406 /nfs/dbraw/zinc/04/54/06/1078045406.db2.gz CPYMVCKRXRWFPA-YOEHRIQHSA-N 1 1 402.495 2.774 20 5 HFBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000790666965 1078083977 /nfs/dbraw/zinc/08/39/77/1078083977.db2.gz VVWRCYIMOZTYFF-OAHLLOKOSA-N 1 1 412.893 2.558 20 5 HFBDMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790731297 1078118143 /nfs/dbraw/zinc/11/81/43/1078118143.db2.gz JARKQURWJXXPPZ-CYBMUJFWSA-N 1 1 423.311 2.909 20 5 HFBDMO CCOc1cc(N2CC[NH+](Cc3ccc(-n4ccnc4)nc3)CC2)ccc1[N+](=O)[O-] ZINC000793300217 1078122385 /nfs/dbraw/zinc/12/23/85/1078122385.db2.gz BBVWRSFBDGPEED-UHFFFAOYSA-N 1 1 408.462 2.896 20 5 HFBDMO Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cn1 ZINC000790852787 1078150629 /nfs/dbraw/zinc/15/06/29/1078150629.db2.gz VBPAOSFLAVLCTF-UHFFFAOYSA-N 1 1 401.448 2.579 20 5 HFBDMO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000790825741 1078158112 /nfs/dbraw/zinc/15/81/12/1078158112.db2.gz AHNYDAWGAXVAJA-VXGBXAGGSA-N 1 1 414.484 2.519 20 5 HFBDMO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000793599489 1078220687 /nfs/dbraw/zinc/22/06/87/1078220687.db2.gz RNVYCPMYAVLWEF-NRFANRHFSA-N 1 1 407.430 2.628 20 5 HFBDMO Cc1nn(C[N@@H+]2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000793701194 1078273780 /nfs/dbraw/zinc/27/37/80/1078273780.db2.gz CJLTYMFPBMVBSN-PBHICJAKSA-N 1 1 416.482 2.937 20 5 HFBDMO Cc1nn(C[N@H+]2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000793701194 1078273782 /nfs/dbraw/zinc/27/37/82/1078273782.db2.gz CJLTYMFPBMVBSN-PBHICJAKSA-N 1 1 416.482 2.937 20 5 HFBDMO Cc1cc(CNC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)cc(N2CCCC2)[nH+]1 ZINC001129544630 1078555185 /nfs/dbraw/zinc/55/51/85/1078555185.db2.gz UEIGUKCXFXWWKY-UHFFFAOYSA-N 1 1 412.446 2.990 20 5 HFBDMO O=[N+]([O-])c1c(N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)nc2ccccn21 ZINC000804808463 1078637512 /nfs/dbraw/zinc/63/75/12/1078637512.db2.gz USOMJWVRCHSEMR-LJQANCHMSA-N 1 1 406.490 2.639 20 5 HFBDMO O=[N+]([O-])c1ccc(N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c2nonc21 ZINC000804809135 1078638577 /nfs/dbraw/zinc/63/85/77/1078638577.db2.gz PDCRLCAZJIBQTI-QGZVFWFLSA-N 1 1 408.462 2.528 20 5 HFBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000804867878 1078692253 /nfs/dbraw/zinc/69/22/53/1078692253.db2.gz NKVGSQPXHITLFM-UHFFFAOYSA-N 1 1 411.256 2.939 20 5 HFBDMO C[NH+](C)C[C@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000805119482 1078902754 /nfs/dbraw/zinc/90/27/54/1078902754.db2.gz FTDMBDLANUURCD-AWEZNQCLSA-N 1 1 401.847 2.969 20 5 HFBDMO Cc1cc(C(=O)NCC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC001170073081 1076800723 /nfs/dbraw/zinc/80/07/23/1076800723.db2.gz QWGPDFXPYYVGTI-QGZVFWFLSA-N 1 1 410.474 2.538 20 5 HFBDMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000789362014 1077537933 /nfs/dbraw/zinc/53/79/33/1077537933.db2.gz FRMHDKHPPIRAEV-KXBFYZLASA-N 1 1 415.446 2.984 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@@H+]2C[C@@H](OC)[C@@H](NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170355439 1077949014 /nfs/dbraw/zinc/94/90/14/1077949014.db2.gz FIAHTHRCBPVVOD-RPVQJOFSSA-N 1 1 409.483 2.758 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@H+]2C[C@@H](OC)[C@@H](NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170355439 1077949015 /nfs/dbraw/zinc/94/90/15/1077949015.db2.gz FIAHTHRCBPVVOD-RPVQJOFSSA-N 1 1 409.483 2.758 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2CCCC23CCN(CC(=O)N(C)C)CC3)c([N+](=O)[O-])c1 ZINC001170341300 1077953088 /nfs/dbraw/zinc/95/30/88/1077953088.db2.gz IMKZVYSCTRRXPM-KRWDZBQOSA-N 1 1 418.538 2.553 20 5 HFBDMO C[C@H]1[C@H](NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000807543393 1080758114 /nfs/dbraw/zinc/75/81/14/1080758114.db2.gz GICDAXCOVKPGJX-SUMWQHHRSA-N 1 1 416.865 2.966 20 5 HFBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164900449 721519913 /nfs/dbraw/zinc/51/99/13/721519913.db2.gz RCDDLNUWJORHDY-DZGCQCFKSA-N 1 1 407.833 2.828 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc([N+](=O)[O-])cc(Cl)n2)[C@H]2CCCO[C@H]12 ZINC001164795944 721526796 /nfs/dbraw/zinc/52/67/96/721526796.db2.gz VCSJQFVGMRRICG-FCEWJHQRSA-N 1 1 403.870 2.906 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc([N+](=O)[O-])cc(Cl)n2)[C@H]2CCCO[C@H]12 ZINC001164795944 721526800 /nfs/dbraw/zinc/52/68/00/721526800.db2.gz VCSJQFVGMRRICG-FCEWJHQRSA-N 1 1 403.870 2.906 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cnc3cc([N+](=O)[O-])ccc3n2)[C@@H]2CCCO[C@H]12 ZINC001164811123 721537650 /nfs/dbraw/zinc/53/76/50/721537650.db2.gz YUICUMVZXKRXPH-SJBKTWHCSA-N 1 1 420.473 2.801 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cnc3cc([N+](=O)[O-])ccc3n2)[C@@H]2CCCO[C@H]12 ZINC001164811123 721537653 /nfs/dbraw/zinc/53/76/53/721537653.db2.gz YUICUMVZXKRXPH-SJBKTWHCSA-N 1 1 420.473 2.801 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cc([N+](=O)[O-])ccc32)[C@@H]2CCCO[C@@H]12 ZINC001164805105 721549011 /nfs/dbraw/zinc/54/90/11/721549011.db2.gz KYLROGSPFXYOBM-NJDAHSKKSA-N 1 1 420.473 2.801 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cc([N+](=O)[O-])ccc32)[C@@H]2CCCO[C@@H]12 ZINC001164805105 721549016 /nfs/dbraw/zinc/54/90/16/721549016.db2.gz KYLROGSPFXYOBM-NJDAHSKKSA-N 1 1 420.473 2.801 20 5 HFBDMO COc1cc(C)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1[N+](=O)[O-] ZINC001164802528 721549735 /nfs/dbraw/zinc/54/97/35/721549735.db2.gz GVVUTRQTYXAEQQ-FUHIMQAGSA-N 1 1 413.478 2.570 20 5 HFBDMO COc1cc(C)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1[N+](=O)[O-] ZINC001164802528 721549736 /nfs/dbraw/zinc/54/97/36/721549736.db2.gz GVVUTRQTYXAEQQ-FUHIMQAGSA-N 1 1 413.478 2.570 20 5 HFBDMO COc1ncnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1[N+](=O)[O-] ZINC001164904370 721703691 /nfs/dbraw/zinc/70/36/91/721703691.db2.gz CKOCJKHBWRZVGO-GOSISDBHSA-N 1 1 420.420 2.526 20 5 HFBDMO COc1nc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)ncc1[N+](=O)[O-] ZINC001164911800 721743366 /nfs/dbraw/zinc/74/33/66/721743366.db2.gz KKXZMHZGQNTORB-UHFFFAOYSA-N 1 1 410.434 2.576 20 5 HFBDMO COc1nc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)ncc1[N+](=O)[O-] ZINC001164911800 721743370 /nfs/dbraw/zinc/74/33/70/721743370.db2.gz KKXZMHZGQNTORB-UHFFFAOYSA-N 1 1 410.434 2.576 20 5 HFBDMO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC001164931430 721885590 /nfs/dbraw/zinc/88/55/90/721885590.db2.gz FEUMRUAFMZCRJI-ROUUACIJSA-N 1 1 416.913 2.920 20 5 HFBDMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC001164931430 721885591 /nfs/dbraw/zinc/88/55/91/721885591.db2.gz FEUMRUAFMZCRJI-ROUUACIJSA-N 1 1 416.913 2.920 20 5 HFBDMO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC001164931428 721885788 /nfs/dbraw/zinc/88/57/88/721885788.db2.gz FEUMRUAFMZCRJI-MSOLQXFVSA-N 1 1 416.913 2.920 20 5 HFBDMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC001164931428 721885789 /nfs/dbraw/zinc/88/57/89/721885789.db2.gz FEUMRUAFMZCRJI-MSOLQXFVSA-N 1 1 416.913 2.920 20 5 HFBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4c(C)c([N+](=O)[O-])cc[n+]4[O-])CC3)C2)cc1 ZINC001164938612 721927835 /nfs/dbraw/zinc/92/78/35/721927835.db2.gz ARPOIZPWIUFNNW-UHFFFAOYSA-N 1 1 412.490 2.716 20 5 HFBDMO O=[N+]([O-])c1c(Cl)ccnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984752 722101005 /nfs/dbraw/zinc/10/10/05/722101005.db2.gz UTKYKHLNOPGHTC-RDJZCZTQSA-N 1 1 403.870 2.766 20 5 HFBDMO CCOc1nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164979739 722132734 /nfs/dbraw/zinc/13/27/34/722132734.db2.gz LXFVJTKBRSUZIF-PKOBYXMFSA-N 1 1 413.478 2.511 20 5 HFBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790769661 1078128724 /nfs/dbraw/zinc/12/87/24/1078128724.db2.gz HQYSXXZFDREYCL-LLVKDONJSA-N 1 1 409.284 2.662 20 5 HFBDMO Cc1[nH+]ccn1CCNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790769600 1078128805 /nfs/dbraw/zinc/12/88/05/1078128805.db2.gz FWTBZZPBOUCAJA-UHFFFAOYSA-N 1 1 408.256 2.630 20 5 HFBDMO Cc1c([N+](=O)[O-])cc(S(=O)(=O)N(CC[NH+](C)C)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000790839434 1078141660 /nfs/dbraw/zinc/14/16/60/1078141660.db2.gz ZJEYHEPUTYNSJN-UHFFFAOYSA-N 1 1 422.463 2.877 20 5 HFBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C[C@@H]1C ZINC000790851075 1078149122 /nfs/dbraw/zinc/14/91/22/1078149122.db2.gz BNVCBEVRARVNHK-SMDDNHRTSA-N 1 1 414.484 2.613 20 5 HFBDMO Cc1nn(C[N@@H+]2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000793701199 1078273747 /nfs/dbraw/zinc/27/37/47/1078273747.db2.gz CJLTYMFPBMVBSN-WMLDXEAASA-N 1 1 416.482 2.937 20 5 HFBDMO Cc1nn(C[N@H+]2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000793701199 1078273750 /nfs/dbraw/zinc/27/37/50/1078273750.db2.gz CJLTYMFPBMVBSN-WMLDXEAASA-N 1 1 416.482 2.937 20 5 HFBDMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC001129968338 1078661613 /nfs/dbraw/zinc/66/16/13/1078661613.db2.gz XHFCSMSUXGKKLQ-WIYYLYMNSA-N 1 1 413.474 2.627 20 5 HFBDMO COC(=O)c1ccc([N+](=O)[O-])c(Nc2cccc3c2CC[N@@H+](CC(C)(C)O)C3)n1 ZINC000804612918 1078662053 /nfs/dbraw/zinc/66/20/53/1078662053.db2.gz ZWZFTEMPOKQAEJ-UHFFFAOYSA-N 1 1 400.435 2.649 20 5 HFBDMO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000805762158 1079264133 /nfs/dbraw/zinc/26/41/33/1079264133.db2.gz NZNCSQRPDNKSQF-INIZCTEOSA-N 1 1 420.466 2.836 20 5 HFBDMO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)c3cc([N+](=O)[O-])cc(C)c3F)cc2)CC1 ZINC000790923094 1077232866 /nfs/dbraw/zinc/23/28/66/1077232866.db2.gz VNLNRVBVMUQBNM-UHFFFAOYSA-N 1 1 414.437 2.959 20 5 HFBDMO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000791130710 1077296825 /nfs/dbraw/zinc/29/68/25/1077296825.db2.gz ABAGJWUOTQBOLP-HXUWFJFHSA-N 1 1 421.856 2.683 20 5 HFBDMO C[C@@H]1C[N@H+](CCCCNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000791134326 1077316054 /nfs/dbraw/zinc/31/60/54/1077316054.db2.gz WLFLCWHCCZPEHQ-BETUJISGSA-N 1 1 401.866 2.935 20 5 HFBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000788912674 1077350580 /nfs/dbraw/zinc/35/05/80/1077350580.db2.gz KUHYAKMPVJGGDN-NEPJUHHUSA-N 1 1 420.329 2.756 20 5 HFBDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000791582408 1077471698 /nfs/dbraw/zinc/47/16/98/1077471698.db2.gz GCUJCYNMAZDJPG-CZUORRHYSA-N 1 1 400.401 2.516 20 5 HFBDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000791582408 1077471700 /nfs/dbraw/zinc/47/17/00/1077471700.db2.gz GCUJCYNMAZDJPG-CZUORRHYSA-N 1 1 400.401 2.516 20 5 HFBDMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000789360931 1077537417 /nfs/dbraw/zinc/53/74/17/1077537417.db2.gz BBSHPKFVMKOQMQ-MAUKXSAKSA-N 1 1 415.446 2.984 20 5 HFBDMO C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789521117 1077615496 /nfs/dbraw/zinc/61/54/96/1077615496.db2.gz KHNLLIGIJGLEPI-GOSISDBHSA-N 1 1 424.457 2.626 20 5 HFBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)OCCC[NH+](C)C)cc1 ZINC000792203902 1077744130 /nfs/dbraw/zinc/74/41/30/1077744130.db2.gz SXHKQOQRHMXSPI-UHFFFAOYSA-N 1 1 421.475 2.813 20 5 HFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+](CCO)Cc2ccc(Br)s2)c1 ZINC000792485101 1077877916 /nfs/dbraw/zinc/87/79/16/1077877916.db2.gz SPIKUNZEAFEKBD-CQSZACIVSA-N 1 1 401.282 2.947 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@H+]2Cc3nccn3C[C@@H](Cn3cccn3)C2)c([N+](=O)[O-])c1 ZINC001170343559 1077953838 /nfs/dbraw/zinc/95/38/38/1077953838.db2.gz QOIOXJXJEUXMTF-IAGOWNOFSA-N 1 1 410.478 2.760 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@@H+]2Cc3nccn3C[C@@H](Cn3cccn3)C2)c([N+](=O)[O-])c1 ZINC001170343559 1077953840 /nfs/dbraw/zinc/95/38/40/1077953840.db2.gz QOIOXJXJEUXMTF-IAGOWNOFSA-N 1 1 410.478 2.760 20 5 HFBDMO COc1ccc(C[C@H](C)[N@@H+]2CCCn3c(CN(C)C(C)C)nnc3C2)c([N+](=O)[O-])c1 ZINC001170343787 1077953911 /nfs/dbraw/zinc/95/39/11/1077953911.db2.gz SSIVHGYDLQMSMN-INIZCTEOSA-N 1 1 416.526 2.872 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2CCCn3c(CN(C)C(C)C)nnc3C2)c([N+](=O)[O-])c1 ZINC001170343787 1077953914 /nfs/dbraw/zinc/95/39/14/1077953914.db2.gz SSIVHGYDLQMSMN-INIZCTEOSA-N 1 1 416.526 2.872 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@H+]2C[C@@H]3COC[C@]3(COc3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001170344285 1077954154 /nfs/dbraw/zinc/95/41/54/1077954154.db2.gz YCKUPSNTHDNBFY-CDMIOBSGSA-N 1 1 413.474 2.957 20 5 HFBDMO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1F ZINC000790329651 1077998128 /nfs/dbraw/zinc/99/81/28/1077998128.db2.gz IIPIAJKQXVBTDS-UHFFFAOYSA-N 1 1 400.410 2.682 20 5 HFBDMO O=[N+]([O-])c1cnc(Cl)nc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164700323 719886623 /nfs/dbraw/zinc/88/66/23/719886623.db2.gz JUADICZJYYFRFC-UHFFFAOYSA-N 1 1 409.899 2.971 20 5 HFBDMO O=[N+]([O-])c1cnc(Cl)nc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164700323 719886626 /nfs/dbraw/zinc/88/66/26/719886626.db2.gz JUADICZJYYFRFC-UHFFFAOYSA-N 1 1 409.899 2.971 20 5 HFBDMO COc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)ccc1[N+](=O)[O-] ZINC001164841661 720519581 /nfs/dbraw/zinc/51/95/81/720519581.db2.gz ZJHPOAMJYWMZFM-BRWVUGGUSA-N 1 1 400.483 2.573 20 5 HFBDMO COCC[N@H+]1CCO[C@@H]2CN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])CC[C@H]2C1 ZINC001164857100 720850387 /nfs/dbraw/zinc/85/03/87/720850387.db2.gz XJAPDMUYNVJZCE-WMLDXEAASA-N 1 1 420.897 2.970 20 5 HFBDMO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCc3[nH+]cc(Cn4cccn4)n3CC2)c1 ZINC001164862063 721032295 /nfs/dbraw/zinc/03/22/95/721032295.db2.gz LPGNOSNVIWUTHD-UHFFFAOYSA-N 1 1 423.811 2.692 20 5 HFBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(-c5ccc([N+](=O)[O-])cc5)nn4)C[C@H]3C2)cn1 ZINC001164771445 721193320 /nfs/dbraw/zinc/19/33/20/721193320.db2.gz PXAINCJWQJUVTF-RTBURBONSA-N 1 1 419.489 2.744 20 5 HFBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc([N+](=O)[O-])cc3F)C2)C1 ZINC001164779098 721345393 /nfs/dbraw/zinc/34/53/93/721345393.db2.gz QXHSQRJQBSKVLM-FQEVSTJZSA-N 1 1 419.457 2.853 20 5 HFBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncc([N+](=O)[O-])cc3F)C2)C1 ZINC001164779098 721345399 /nfs/dbraw/zinc/34/53/99/721345399.db2.gz QXHSQRJQBSKVLM-FQEVSTJZSA-N 1 1 419.457 2.853 20 5 HFBDMO COc1cc2ncnc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c2cc1[N+](=O)[O-] ZINC001164782448 721411318 /nfs/dbraw/zinc/41/13/18/721411318.db2.gz GLQUBISOZRKBQI-STQMWFEESA-N 1 1 412.475 2.571 20 5 HFBDMO COc1cc(C)nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164903353 721530540 /nfs/dbraw/zinc/53/05/40/721530540.db2.gz CDJWCKMTSKFNEE-DOTOQJQBSA-N 1 1 402.426 2.788 20 5 HFBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164799072 721536764 /nfs/dbraw/zinc/53/67/64/721536764.db2.gz AMZHAMULLKJEQH-YQQAZPJKSA-N 1 1 418.885 2.610 20 5 HFBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164799072 721536765 /nfs/dbraw/zinc/53/67/65/721536765.db2.gz AMZHAMULLKJEQH-YQQAZPJKSA-N 1 1 418.885 2.610 20 5 HFBDMO O=[N+]([O-])c1cc(Cl)cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164979788 722110468 /nfs/dbraw/zinc/11/04/68/722110468.db2.gz QARZBAIMOHEPJE-DOTOQJQBSA-N 1 1 403.870 2.766 20 5 HFBDMO C[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1Cc1ccccc1 ZINC000793108207 1078080746 /nfs/dbraw/zinc/08/07/46/1078080746.db2.gz IZIPYMULAUSQLM-MRXNPFEDSA-N 1 1 416.865 2.572 20 5 HFBDMO C[N@H+]1CCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1Cc1ccccc1 ZINC000793108207 1078080751 /nfs/dbraw/zinc/08/07/51/1078080751.db2.gz IZIPYMULAUSQLM-MRXNPFEDSA-N 1 1 416.865 2.572 20 5 HFBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790759628 1078112603 /nfs/dbraw/zinc/11/26/03/1078112603.db2.gz HNOFFNLCFWOIJV-LBPRGKRZSA-N 1 1 423.311 2.909 20 5 HFBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790777158 1078131153 /nfs/dbraw/zinc/13/11/53/1078131153.db2.gz HCRKPHDLXJPFOV-ZBEGNZNMSA-N 1 1 423.311 2.908 20 5 HFBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C[C@H]1C ZINC000790851060 1078149524 /nfs/dbraw/zinc/14/95/24/1078149524.db2.gz BNVCBEVRARVNHK-BXUZGUMPSA-N 1 1 414.484 2.613 20 5 HFBDMO Cc1c([N+](=O)[O-])cc(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c(C)c1[N+](=O)[O-] ZINC000790850840 1078149539 /nfs/dbraw/zinc/14/95/39/1078149539.db2.gz IGZJLYFUVPETLC-AWEZNQCLSA-N 1 1 414.484 2.615 20 5 HFBDMO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCCC[N@@H+]2CCCC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000790824060 1078157248 /nfs/dbraw/zinc/15/72/48/1078157248.db2.gz IWIMPIYTGCMFMQ-GFCCVEGCSA-N 1 1 414.484 2.663 20 5 HFBDMO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCC[N@@H+](C)Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000790837322 1078162916 /nfs/dbraw/zinc/16/29/16/1078162916.db2.gz XKODVZOIIXEXCX-UHFFFAOYSA-N 1 1 422.463 2.530 20 5 HFBDMO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCC[N@H+](C)Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000790837322 1078162920 /nfs/dbraw/zinc/16/29/20/1078162920.db2.gz XKODVZOIIXEXCX-UHFFFAOYSA-N 1 1 422.463 2.530 20 5 HFBDMO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804446210 1078511064 /nfs/dbraw/zinc/51/10/64/1078511064.db2.gz AUCOVYPIRJVXDI-IBGZPJMESA-N 1 1 412.465 2.766 20 5 HFBDMO Cc1cc(C(=O)N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000804446565 1078513257 /nfs/dbraw/zinc/51/32/57/1078513257.db2.gz KLJSBYMCBOMWGV-IBGZPJMESA-N 1 1 423.517 2.518 20 5 HFBDMO C[C@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC001129828429 1078522687 /nfs/dbraw/zinc/52/26/87/1078522687.db2.gz JMCCFYWPMGRGAN-INIZCTEOSA-N 1 1 406.446 2.522 20 5 HFBDMO C[C@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001129828429 1078522691 /nfs/dbraw/zinc/52/26/91/1078522691.db2.gz JMCCFYWPMGRGAN-INIZCTEOSA-N 1 1 406.446 2.522 20 5 HFBDMO CN(c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000804529741 1078567909 /nfs/dbraw/zinc/56/79/09/1078567909.db2.gz JBKRKWRZHMPJDL-KRWDZBQOSA-N 1 1 409.490 2.886 20 5 HFBDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000747282809 1079354245 /nfs/dbraw/zinc/35/42/45/1079354245.db2.gz CENWSCDGGSKIJM-AWEZNQCLSA-N 1 1 401.847 2.969 20 5 HFBDMO COC(=O)C1=NOC2(C1)CC[NH+](Cc1ccc(Br)c([N+](=O)[O-])c1)CC2 ZINC000788024159 1077033972 /nfs/dbraw/zinc/03/39/72/1077033972.db2.gz POOKWEFPHCPSIJ-UHFFFAOYSA-N 1 1 412.240 2.641 20 5 HFBDMO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000790998087 1077264347 /nfs/dbraw/zinc/26/43/47/1077264347.db2.gz GAMLQDXFLUPEKT-AWEZNQCLSA-N 1 1 412.899 2.711 20 5 HFBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C[C@H](C)O1 ZINC000791215146 1077332953 /nfs/dbraw/zinc/33/29/53/1077332953.db2.gz QQCWDFKIULWHKN-ZNMIVQPWSA-N 1 1 408.474 2.514 20 5 HFBDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C[C@H](C)O1 ZINC000791215146 1077332955 /nfs/dbraw/zinc/33/29/55/1077332955.db2.gz QQCWDFKIULWHKN-ZNMIVQPWSA-N 1 1 408.474 2.514 20 5 HFBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000788912675 1077350643 /nfs/dbraw/zinc/35/06/43/1077350643.db2.gz KUHYAKMPVJGGDN-NWDGAFQWSA-N 1 1 420.329 2.756 20 5 HFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789525598 1077622087 /nfs/dbraw/zinc/62/20/87/1077622087.db2.gz NPKTVOOTYAVINW-FQEVSTJZSA-N 1 1 410.474 2.965 20 5 HFBDMO CC(C)N1CC[NH+](CCCOC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000792271883 1077787740 /nfs/dbraw/zinc/78/77/40/1077787740.db2.gz SRPHQGCUJFXOLF-UHFFFAOYSA-N 1 1 401.866 2.889 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2C[C@@H](NC(=O)OC(C)(C)C)C3(COC3)C2)c([N+](=O)[O-])c1 ZINC001170355471 1077949029 /nfs/dbraw/zinc/94/90/29/1077949029.db2.gz GHNDULUJFFDWAC-KBXCAEBGSA-N 1 1 421.494 2.760 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@H+]2C[C@@H](OCC3CCOCC3)[C@H]3COC[C@H]32)c([N+](=O)[O-])c1 ZINC001170341386 1077953368 /nfs/dbraw/zinc/95/33/68/1077953368.db2.gz QAKVQXLRBNLYIF-GZIQRIHMSA-N 1 1 420.506 2.677 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@]3(C[C@H]3C(=O)NCc3cccnc3)C2)c([N+](=O)[O-])c1 ZINC001170341533 1077953443 /nfs/dbraw/zinc/95/34/43/1077953443.db2.gz KAUUIDGKAVVYBE-GRWTVWFQSA-N 1 1 424.501 2.958 20 5 HFBDMO COc1ccc(C[C@H](C)[N@@H+]2C[C@@H](NC(=O)C3CC3)[C@H]3OCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170342365 1077953644 /nfs/dbraw/zinc/95/36/44/1077953644.db2.gz VMFODLXTVUYIDX-RDDTUUHWSA-N 1 1 417.506 2.540 20 5 HFBDMO COc1cc(C(=O)OC[C@H]2C[N@@H+](CC(C)C)CCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000806319154 1079571029 /nfs/dbraw/zinc/57/10/29/1079571029.db2.gz DTWWSQIHIVEFPY-GFCCVEGCSA-N 1 1 418.393 2.718 20 5 HFBDMO COc1cc(C(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)ccc1[N+](=O)[O-] ZINC001130733198 1079971499 /nfs/dbraw/zinc/97/14/99/1079971499.db2.gz MAVIGIHOXUYEEO-PMACEKPBSA-N 1 1 411.458 2.719 20 5 HFBDMO O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001130733568 1079973059 /nfs/dbraw/zinc/97/30/59/1079973059.db2.gz SZDYIMMCJMIVJI-VQTJNVASSA-N 1 1 417.412 2.989 20 5 HFBDMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc3ccccc3c(Cl)c1[N+](=O)[O-])CC2 ZINC001164681775 719714075 /nfs/dbraw/zinc/71/40/75/719714075.db2.gz AKMVQUXSENZBTP-UHFFFAOYSA-N 1 1 417.897 2.977 20 5 HFBDMO Cc1nc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1[N+](=O)[O-] ZINC001164836613 720508474 /nfs/dbraw/zinc/50/84/74/720508474.db2.gz NHAHCBBXVANOCI-HRCADAONSA-N 1 1 419.917 2.921 20 5 HFBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164839094 720518467 /nfs/dbraw/zinc/51/84/67/720518467.db2.gz SRDIZPVLGVSCBQ-HRCADAONSA-N 1 1 419.917 2.921 20 5 HFBDMO CCOc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)ccc1[N+](=O)[O-] ZINC001164840658 720577701 /nfs/dbraw/zinc/57/77/01/720577701.db2.gz QEYLLVYLWABHPA-OKZBNKHCSA-N 1 1 414.510 2.963 20 5 HFBDMO O=[N+]([O-])c1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164748707 720810404 /nfs/dbraw/zinc/81/04/04/720810404.db2.gz RBPAACHPIDCUEE-DJIMGWMZSA-N 1 1 417.901 2.614 20 5 HFBDMO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164744238 720811100 /nfs/dbraw/zinc/81/11/00/720811100.db2.gz IEWCUMMPRDPBRK-QGPMSJSTSA-N 1 1 417.901 2.614 20 5 HFBDMO COCC[N@H+]1CCO[C@@H]2CN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])CC[C@H]2C1 ZINC001164862947 720889501 /nfs/dbraw/zinc/88/95/01/720889501.db2.gz SDBDLLNQCMMIMT-HNAYVOBHSA-N 1 1 420.897 2.970 20 5 HFBDMO COc1cc(C)nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164903355 721530162 /nfs/dbraw/zinc/53/01/62/721530162.db2.gz CDJWCKMTSKFNEE-RDJZCZTQSA-N 1 1 402.426 2.788 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cc([N+](=O)[O-])ccc32)[C@H]2CCCO[C@@H]12 ZINC001164805111 721548897 /nfs/dbraw/zinc/54/88/97/721548897.db2.gz KYLROGSPFXYOBM-PWRODBHTSA-N 1 1 420.473 2.801 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cc([N+](=O)[O-])ccc32)[C@H]2CCCO[C@@H]12 ZINC001164805111 721548898 /nfs/dbraw/zinc/54/88/98/721548898.db2.gz KYLROGSPFXYOBM-PWRODBHTSA-N 1 1 420.473 2.801 20 5 HFBDMO COc1cc(C)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1[N+](=O)[O-] ZINC001164802529 721550128 /nfs/dbraw/zinc/55/01/28/721550128.db2.gz GVVUTRQTYXAEQQ-UWVAXJGDSA-N 1 1 413.478 2.570 20 5 HFBDMO COc1cc(C)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1[N+](=O)[O-] ZINC001164802529 721550135 /nfs/dbraw/zinc/55/01/35/721550135.db2.gz GVVUTRQTYXAEQQ-UWVAXJGDSA-N 1 1 413.478 2.570 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)[C@H]2CCCO[C@H]12 ZINC001164805389 721568536 /nfs/dbraw/zinc/56/85/36/721568536.db2.gz NKXBOJBCXADGKO-HQRMLTQVSA-N 1 1 408.462 2.734 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)[C@H]2CCCO[C@H]12 ZINC001164805389 721568538 /nfs/dbraw/zinc/56/85/38/721568538.db2.gz NKXBOJBCXADGKO-HQRMLTQVSA-N 1 1 408.462 2.734 20 5 HFBDMO COc1nc(C)c([N+](=O)[O-])c(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164910787 721754444 /nfs/dbraw/zinc/75/44/44/721754444.db2.gz RPSPHYSLYJFEHY-UHFFFAOYSA-N 1 1 424.461 2.885 20 5 HFBDMO COc1nc(C)c([N+](=O)[O-])c(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164910787 721754446 /nfs/dbraw/zinc/75/44/46/721754446.db2.gz RPSPHYSLYJFEHY-UHFFFAOYSA-N 1 1 424.461 2.885 20 5 HFBDMO CCc1cc(N2CC[C@@H]3[C@H]2CC[N@H+]3CCN(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164935524 721883416 /nfs/dbraw/zinc/88/34/16/721883416.db2.gz XIFLCKJBSWRYNK-WOJBJXKFSA-N 1 1 410.522 2.829 20 5 HFBDMO CCc1cc(N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164935524 721883418 /nfs/dbraw/zinc/88/34/18/721883418.db2.gz XIFLCKJBSWRYNK-WOJBJXKFSA-N 1 1 410.522 2.829 20 5 HFBDMO O=[N+]([O-])c1c(Cl)ccnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984750 722101313 /nfs/dbraw/zinc/10/13/13/722101313.db2.gz UTKYKHLNOPGHTC-DOTOQJQBSA-N 1 1 403.870 2.766 20 5 HFBDMO O=[N+]([O-])c1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc2[nH]ccc21 ZINC001164981123 722131333 /nfs/dbraw/zinc/13/13/33/722131333.db2.gz OODGGLHDTPMVEL-QFBILLFUSA-N 1 1 408.462 2.593 20 5 HFBDMO O=[N+]([O-])c1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc2[nH]ccc21 ZINC001164981121 722131770 /nfs/dbraw/zinc/13/17/70/722131770.db2.gz OODGGLHDTPMVEL-LPHOPBHVSA-N 1 1 408.462 2.593 20 5 HFBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000793045731 1078054972 /nfs/dbraw/zinc/05/49/72/1078054972.db2.gz CBXPZNHWKXKSKK-WMLDXEAASA-N 1 1 402.495 2.774 20 5 HFBDMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790731298 1078118004 /nfs/dbraw/zinc/11/80/04/1078118004.db2.gz JARKQURWJXXPPZ-ZDUSSCGKSA-N 1 1 423.311 2.909 20 5 HFBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790777152 1078130786 /nfs/dbraw/zinc/13/07/86/1078130786.db2.gz HCRKPHDLXJPFOV-BDJLRTHQSA-N 1 1 423.311 2.908 20 5 HFBDMO Cc1[nH+]ccn1-c1ncccc1CNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000790849531 1078147724 /nfs/dbraw/zinc/14/77/24/1078147724.db2.gz DGPJHPCNPKHBGJ-UHFFFAOYSA-N 1 1 401.448 2.579 20 5 HFBDMO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000790826167 1078157772 /nfs/dbraw/zinc/15/77/72/1078157772.db2.gz IMQLXMSOEJAKKW-NEPJUHHUSA-N 1 1 414.484 2.661 20 5 HFBDMO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000790825740 1078158057 /nfs/dbraw/zinc/15/80/57/1078158057.db2.gz AHNYDAWGAXVAJA-RYUDHWBXSA-N 1 1 414.484 2.519 20 5 HFBDMO CC(C)(C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000805615540 1079175706 /nfs/dbraw/zinc/17/57/06/1079175706.db2.gz FADWLBIKQMFCHC-UHFFFAOYSA-N 1 1 403.357 2.970 20 5 HFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000805799550 1079279938 /nfs/dbraw/zinc/27/99/38/1079279938.db2.gz UQSLFXNPYVPGJU-ZFWWWQNUSA-N 1 1 422.482 2.920 20 5 HFBDMO O=C(NC1CCCCC1)OC[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000805828829 1079298221 /nfs/dbraw/zinc/29/82/21/1079298221.db2.gz BWAUNYSPKHZPCQ-SFHVURJKSA-N 1 1 406.483 2.670 20 5 HFBDMO Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000805862437 1079309247 /nfs/dbraw/zinc/30/92/47/1079309247.db2.gz WWDKTSZZCQCELQ-HUUCEWRRSA-N 1 1 402.451 2.566 20 5 HFBDMO Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000805862436 1079309335 /nfs/dbraw/zinc/30/93/35/1079309335.db2.gz WWDKTSZZCQCELQ-GJZGRUSLSA-N 1 1 402.451 2.566 20 5 HFBDMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C[C@@H](C)O1 ZINC000791215133 1077333067 /nfs/dbraw/zinc/33/30/67/1077333067.db2.gz QQCWDFKIULWHKN-KFWWJZLASA-N 1 1 408.474 2.514 20 5 HFBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000788912676 1077350610 /nfs/dbraw/zinc/35/06/10/1077350610.db2.gz KUHYAKMPVJGGDN-RYUDHWBXSA-N 1 1 420.329 2.756 20 5 HFBDMO CC(C)N1CC[NH+](CCCOC(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000791455626 1077413514 /nfs/dbraw/zinc/41/35/14/1077413514.db2.gz PGYGXYLJBMNSFW-UHFFFAOYSA-N 1 1 414.300 2.930 20 5 HFBDMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000789362010 1077537984 /nfs/dbraw/zinc/53/79/84/1077537984.db2.gz FRMHDKHPPIRAEV-DNVCBOLYSA-N 1 1 415.446 2.984 20 5 HFBDMO CC(C)N1CC[NH+](CCCOC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000791779927 1077550088 /nfs/dbraw/zinc/55/00/88/1077550088.db2.gz XFKPGICFJGVPKO-HNNXBMFYSA-N 1 1 413.902 2.975 20 5 HFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789521180 1077615036 /nfs/dbraw/zinc/61/50/36/1077615036.db2.gz LBYOJTNERUHALR-HXUWFJFHSA-N 1 1 410.474 2.965 20 5 HFBDMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000792226315 1077751455 /nfs/dbraw/zinc/75/14/55/1077751455.db2.gz PQZAPRSWCDPMDE-FQEVSTJZSA-N 1 1 423.517 2.949 20 5 HFBDMO COc1ccc(C[C@H](C)[NH2+]CCN2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001170298159 1077931097 /nfs/dbraw/zinc/93/10/97/1077931097.db2.gz HACKKDWMTXEFKZ-IBGZPJMESA-N 1 1 412.534 2.942 20 5 HFBDMO CCOc1cc(C[N@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001170281074 1077936871 /nfs/dbraw/zinc/93/68/71/1077936871.db2.gz URNRFWQCOHJHOI-UONOGXRCSA-N 1 1 401.385 2.836 20 5 HFBDMO COc1ccc(C[C@H](C)[NH+]2CCN(CCNC(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001170335980 1077947246 /nfs/dbraw/zinc/94/72/46/1077947246.db2.gz SMAPRDAWGXWPNT-INIZCTEOSA-N 1 1 422.526 2.677 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@@H](Oc3nccc(OC)n3)C2)c([N+](=O)[O-])c1 ZINC001170355651 1077949219 /nfs/dbraw/zinc/94/92/19/1077949219.db2.gz NYNIVJHKZVPFQC-WMLDXEAASA-N 1 1 402.451 2.876 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@H](Oc3nc(C)cc(OC)n3)C2)c([N+](=O)[O-])c1 ZINC001170355629 1077949231 /nfs/dbraw/zinc/94/92/31/1077949231.db2.gz MXIRVWBXPVRFAK-YOEHRIQHSA-N 1 1 402.451 2.795 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@H+]2C[C@H]3CN(Cc4ccncc4)C(=O)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170338843 1077952109 /nfs/dbraw/zinc/95/21/09/1077952109.db2.gz DMNMYHGGHFNNPH-BPAFIMBUSA-N 1 1 410.474 2.520 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2C[C@@H]3C[C@@H](Cc4nc(C)no4)O[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170339828 1077952581 /nfs/dbraw/zinc/95/25/81/1077952581.db2.gz JXCMXPDPRWPBBB-CUJLYAAOSA-N 1 1 402.451 2.558 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@H+]2CC[C@H]3OCC[C@@H](C(=O)NC4CC4)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170340515 1077952862 /nfs/dbraw/zinc/95/28/62/1077952862.db2.gz MRWPTOATVZRDJZ-AZVUBCEASA-N 1 1 417.506 2.540 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@@H+]2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170341530 1077953483 /nfs/dbraw/zinc/95/34/83/1077953483.db2.gz KAOZKTBOMHPEFQ-NSISKUIASA-N 1 1 413.522 2.722 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@@H+]2C[C@@H](NC(=O)C3CC3)[C@H]3OCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170342364 1077953600 /nfs/dbraw/zinc/95/36/00/1077953600.db2.gz VMFODLXTVUYIDX-GQNJESKTSA-N 1 1 417.506 2.540 20 5 HFBDMO CCOC(=O)C1C[N@H+](Cc2ccccc2)CCC1=Nc1c(F)c([N+](=O)[O-])cc[n+]1[O-] ZINC001170522068 1080495411 /nfs/dbraw/zinc/49/54/11/1080495411.db2.gz WFMWYUVOPKXBIY-UHFFFAOYSA-N 1 1 416.409 2.502 20 5 HFBDMO CCOC(=O)C1C[N@@H+](Cc2ccccc2)CCC1=Nc1c(F)c([N+](=O)[O-])cc[n+]1[O-] ZINC001170522068 1080495415 /nfs/dbraw/zinc/49/54/15/1080495415.db2.gz WFMWYUVOPKXBIY-UHFFFAOYSA-N 1 1 416.409 2.502 20 5 HFBDMO CCOC(=O)C1C[N@H+](Cc2ccccc2)CCC1=Nc1cc([N+](=O)[O-])c(C)c[n+]1[O-] ZINC001170521617 1080503117 /nfs/dbraw/zinc/50/31/17/1080503117.db2.gz JYJDLRZDWBYYLJ-UHFFFAOYSA-N 1 1 412.446 2.672 20 5 HFBDMO CCOC(=O)C1C[N@@H+](Cc2ccccc2)CCC1=Nc1cc([N+](=O)[O-])c(C)c[n+]1[O-] ZINC001170521617 1080503123 /nfs/dbraw/zinc/50/31/23/1080503123.db2.gz JYJDLRZDWBYYLJ-UHFFFAOYSA-N 1 1 412.446 2.672 20 5 HFBDMO COc1cc2ncnc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2cc1[N+](=O)[O-] ZINC001164727705 720386188 /nfs/dbraw/zinc/38/61/88/720386188.db2.gz RFDZRIVOISBCSH-MSOLQXFVSA-N 1 1 406.446 2.795 20 5 HFBDMO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164744241 720811798 /nfs/dbraw/zinc/81/17/98/720811798.db2.gz IEWCUMMPRDPBRK-YXJHDRRASA-N 1 1 417.901 2.614 20 5 HFBDMO COCC[N@H+]1CCO[C@@H]2CN(c3cc(C)c4cc([N+](=O)[O-])ccc4n3)CC[C@H]2C1 ZINC001164853721 720843512 /nfs/dbraw/zinc/84/35/12/720843512.db2.gz OSXVMRDVWYWJJQ-OXJNMPFZSA-N 1 1 400.479 2.625 20 5 HFBDMO O=[N+]([O-])c1ccc(C(F)(F)N2CCc3[nH+]cc(Cn4cccn4)n3CC2)nc1Cl ZINC001164861077 721031754 /nfs/dbraw/zinc/03/17/54/721031754.db2.gz ALQMMLZHOUDQHW-UHFFFAOYSA-N 1 1 423.811 2.692 20 5 HFBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164870593 721073360 /nfs/dbraw/zinc/07/33/60/721073360.db2.gz WISJBHLECJVCFO-JKSUJKDBSA-N 1 1 403.870 2.826 20 5 HFBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)c(Cl)cc4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164772626 721099675 /nfs/dbraw/zinc/09/96/75/721099675.db2.gz VJDGFNFWZCIUSA-CHWSQXEVSA-N 1 1 411.293 2.988 20 5 HFBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)cc(Cl)c4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164762605 721121111 /nfs/dbraw/zinc/12/11/11/721121111.db2.gz CYIAFXNBXVORQJ-OLZOCXBDSA-N 1 1 411.293 2.988 20 5 HFBDMO CC(C)Oc1nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164878328 721158789 /nfs/dbraw/zinc/15/87/89/721158789.db2.gz PSRWRTBMNWQGHT-ROUUACIJSA-N 1 1 413.478 2.652 20 5 HFBDMO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164782803 721401080 /nfs/dbraw/zinc/40/10/80/721401080.db2.gz FSJYWABHEHZTRN-IUCAKERBSA-N 1 1 401.279 2.716 20 5 HFBDMO Cc1cc([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1Cl ZINC001164888338 721401486 /nfs/dbraw/zinc/40/14/86/721401486.db2.gz OIWIBKNGHOCMIV-JXFKEZNVSA-N 1 1 423.945 2.717 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc([N+](=O)[O-])cc(Cl)n2)[C@@H]2CCCO[C@@H]21 ZINC001164795948 721527354 /nfs/dbraw/zinc/52/73/54/721527354.db2.gz VCSJQFVGMRRICG-MDZRGWNJSA-N 1 1 403.870 2.906 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc([N+](=O)[O-])cc(Cl)n2)[C@@H]2CCCO[C@@H]21 ZINC001164795948 721527355 /nfs/dbraw/zinc/52/73/55/721527355.db2.gz VCSJQFVGMRRICG-MDZRGWNJSA-N 1 1 403.870 2.906 20 5 HFBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164799070 721536345 /nfs/dbraw/zinc/53/63/45/721536345.db2.gz AMZHAMULLKJEQH-VYDXJSESSA-N 1 1 418.885 2.610 20 5 HFBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164799070 721536347 /nfs/dbraw/zinc/53/63/47/721536347.db2.gz AMZHAMULLKJEQH-VYDXJSESSA-N 1 1 418.885 2.610 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)ncc2[N+](=O)[O-])[C@H]2CCCO[C@@H]12 ZINC001164805138 721536351 /nfs/dbraw/zinc/53/63/51/721536351.db2.gz KZLNDRDAOKXMIE-POZUXBRTSA-N 1 1 403.870 2.906 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)ncc2[N+](=O)[O-])[C@H]2CCCO[C@@H]12 ZINC001164805138 721536353 /nfs/dbraw/zinc/53/63/53/721536353.db2.gz KZLNDRDAOKXMIE-POZUXBRTSA-N 1 1 403.870 2.906 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)[C@H]2CCCO[C@@H]12 ZINC001164807220 721549047 /nfs/dbraw/zinc/54/90/47/721549047.db2.gz QOPOZEJGJWHQMV-PWRODBHTSA-N 1 1 420.473 2.801 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)[C@H]2CCCO[C@@H]12 ZINC001164807220 721549054 /nfs/dbraw/zinc/54/90/54/721549054.db2.gz QOPOZEJGJWHQMV-PWRODBHTSA-N 1 1 420.473 2.801 20 5 HFBDMO CCOc1nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164979738 722132349 /nfs/dbraw/zinc/13/23/49/722132349.db2.gz LXFVJTKBRSUZIF-MJGOQNOKSA-N 1 1 413.478 2.511 20 5 HFBDMO CCOc1nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164979737 722132521 /nfs/dbraw/zinc/13/25/21/722132521.db2.gz LXFVJTKBRSUZIF-IEBWSBKVSA-N 1 1 413.478 2.511 20 5 HFBDMO C[C@H](CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)[N@@H+](C)C1CC1 ZINC000790772176 1078129425 /nfs/dbraw/zinc/12/94/25/1078129425.db2.gz XDHQPTYFHNLZSV-LLVKDONJSA-N 1 1 411.300 2.908 20 5 HFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC001170435601 1078213876 /nfs/dbraw/zinc/21/38/76/1078213876.db2.gz RDAJYTCYUIZRAV-DNVCBOLYSA-N 1 1 413.478 2.552 20 5 HFBDMO CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c1=S ZINC000793770854 1078307093 /nfs/dbraw/zinc/30/70/93/1078307093.db2.gz XFLIFZSTKHJYLD-LJQANCHMSA-N 1 1 402.524 2.994 20 5 HFBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000804870121 1078693488 /nfs/dbraw/zinc/69/34/88/1078693488.db2.gz QEMMJEWFWOXZSY-UHFFFAOYSA-N 1 1 416.478 2.619 20 5 HFBDMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000787329227 1076742824 /nfs/dbraw/zinc/74/28/24/1076742824.db2.gz WAXNFSCRHNLMTG-INIZCTEOSA-N 1 1 414.428 2.906 20 5 HFBDMO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C[C@@H](C)O1 ZINC000791215144 1077333056 /nfs/dbraw/zinc/33/30/56/1077333056.db2.gz QQCWDFKIULWHKN-RBSFLKMASA-N 1 1 408.474 2.514 20 5 HFBDMO CC(C)N1CC[NH+](CCCOC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000792110400 1077700948 /nfs/dbraw/zinc/70/09/48/1077700948.db2.gz DRKCNMVQXNXNFU-UHFFFAOYSA-N 1 1 401.410 2.769 20 5 HFBDMO Cc1c(NC(=O)[C@H](C)O[NH+]=C(N)CCNC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000789643592 1077717106 /nfs/dbraw/zinc/71/71/06/1077717106.db2.gz FGTRLMMCSNRBCP-LBPRGKRZSA-N 1 1 409.443 2.643 20 5 HFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCC(N)=O)[C@@H]1CCOc2ccccc21 ZINC001170290147 1077938680 /nfs/dbraw/zinc/93/86/80/1077938680.db2.gz DIYIKUSMEBJSBQ-GOSISDBHSA-N 1 1 412.446 2.543 20 5 HFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCC(N)=O)[C@@H]1CCOc2ccccc21 ZINC001170290147 1077938681 /nfs/dbraw/zinc/93/86/81/1077938681.db2.gz DIYIKUSMEBJSBQ-GOSISDBHSA-N 1 1 412.446 2.543 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@@H+]2CCc3nnc(Cn4cccc4)n3CC2)c([N+](=O)[O-])c1 ZINC001170338889 1077952297 /nfs/dbraw/zinc/95/22/97/1077952297.db2.gz FBNVAPXCHBLMGI-MRXNPFEDSA-N 1 1 410.478 2.534 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@@H+]2CCCn3c(Cn4cccc4)nnc3C2)c([N+](=O)[O-])c1 ZINC001170339414 1077952372 /nfs/dbraw/zinc/95/23/72/1077952372.db2.gz BHQGQXCQYOHPJK-MRXNPFEDSA-N 1 1 410.478 2.882 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@H+]2CCCn3c(Cn4cccc4)nnc3C2)c([N+](=O)[O-])c1 ZINC001170339414 1077952373 /nfs/dbraw/zinc/95/23/73/1077952373.db2.gz BHQGQXCQYOHPJK-MRXNPFEDSA-N 1 1 410.478 2.882 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@H](OCC(=O)NC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170351380 1077956132 /nfs/dbraw/zinc/95/61/32/1077956132.db2.gz FPUFKAUCOCSYML-YJBOKZPZSA-N 1 1 407.511 2.930 20 5 HFBDMO C[N@@H+]1CCN(C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)[C@H](Cc2ccccc2)C1 ZINC001130751009 1080020404 /nfs/dbraw/zinc/02/04/04/1080020404.db2.gz ASWWDDZDEHDTCW-OAQYLSRUSA-N 1 1 419.485 2.839 20 5 HFBDMO C[N@H+]1CCN(C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)[C@H](Cc2ccccc2)C1 ZINC001130751009 1080020412 /nfs/dbraw/zinc/02/04/12/1080020412.db2.gz ASWWDDZDEHDTCW-OAQYLSRUSA-N 1 1 419.485 2.839 20 5 HFBDMO C[C@@H]1[C@H](NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000807543388 1080758197 /nfs/dbraw/zinc/75/81/97/1080758197.db2.gz GICDAXCOVKPGJX-CXAGYDPISA-N 1 1 416.865 2.966 20 5 HFBDMO COc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)ncc1[N+](=O)[O-] ZINC001164842601 720531691 /nfs/dbraw/zinc/53/16/91/720531691.db2.gz YQSKEICYUPKELL-GVDBMIGSSA-N 1 1 400.483 2.573 20 5 HFBDMO Cc1cc(Cl)nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164868381 721070904 /nfs/dbraw/zinc/07/09/04/721070904.db2.gz OFVZLANRIOSRSK-HOTGVXAUSA-N 1 1 403.870 2.826 20 5 HFBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(-c5ccccc5[N+](=O)[O-])nn4)C[C@H]3C2)cn1 ZINC001164765663 721215180 /nfs/dbraw/zinc/21/51/80/721215180.db2.gz ICWYAIACKBNENH-QZTJIDSGSA-N 1 1 419.489 2.744 20 5 HFBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164891914 721402455 /nfs/dbraw/zinc/40/24/55/721402455.db2.gz WNTWBZGXAPWUPM-OXQOHEQNSA-N 1 1 423.945 2.717 20 5 HFBDMO CSc1nc(Cl)nc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164785041 721413197 /nfs/dbraw/zinc/41/31/97/721413197.db2.gz MEQVDCNPDZJRMF-NXEZZACHSA-N 1 1 412.928 2.785 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc([N+](=O)[O-])cc(Cl)n2)[C@@H]2CCCO[C@@H]12 ZINC001164795947 721527476 /nfs/dbraw/zinc/52/74/76/721527476.db2.gz VCSJQFVGMRRICG-GPMSIDNRSA-N 1 1 403.870 2.906 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc([N+](=O)[O-])cc(Cl)n2)[C@@H]2CCCO[C@@H]12 ZINC001164795947 721527478 /nfs/dbraw/zinc/52/74/78/721527478.db2.gz VCSJQFVGMRRICG-GPMSIDNRSA-N 1 1 403.870 2.906 20 5 HFBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164799074 721536395 /nfs/dbraw/zinc/53/63/95/721536395.db2.gz AMZHAMULLKJEQH-ZOBUZTSGSA-N 1 1 418.885 2.610 20 5 HFBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164799074 721536398 /nfs/dbraw/zinc/53/63/98/721536398.db2.gz AMZHAMULLKJEQH-ZOBUZTSGSA-N 1 1 418.885 2.610 20 5 HFBDMO COc1cc(C)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1[N+](=O)[O-] ZINC001164802532 721549970 /nfs/dbraw/zinc/54/99/70/721549970.db2.gz GVVUTRQTYXAEQQ-ZWOKBUDYSA-N 1 1 413.478 2.570 20 5 HFBDMO COc1cc(C)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1[N+](=O)[O-] ZINC001164802532 721549973 /nfs/dbraw/zinc/54/99/73/721549973.db2.gz GVVUTRQTYXAEQQ-ZWOKBUDYSA-N 1 1 413.478 2.570 20 5 HFBDMO O=[N+]([O-])c1cnc(Cl)cc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980121 722105048 /nfs/dbraw/zinc/10/50/48/722105048.db2.gz JRHBYUBGSOIGGS-CRAIPNDOSA-N 1 1 403.870 2.766 20 5 HFBDMO O=[N+]([O-])c1cnc(Cl)cc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980616 722105156 /nfs/dbraw/zinc/10/51/56/722105156.db2.gz JRHBYUBGSOIGGS-QAPCUYQASA-N 1 1 403.870 2.766 20 5 HFBDMO O=[N+]([O-])c1ccc2nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)cnc2c1 ZINC001164984297 722105665 /nfs/dbraw/zinc/10/56/65/722105665.db2.gz SCZREBIOCJGIAW-UWJYYQICSA-N 1 1 420.473 2.660 20 5 HFBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000793002030 1078045371 /nfs/dbraw/zinc/04/53/71/1078045371.db2.gz CPYMVCKRXRWFPA-PBHICJAKSA-N 1 1 402.495 2.774 20 5 HFBDMO C[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1Cc1ccccc1 ZINC000793108205 1078080873 /nfs/dbraw/zinc/08/08/73/1078080873.db2.gz IZIPYMULAUSQLM-INIZCTEOSA-N 1 1 416.865 2.572 20 5 HFBDMO C[N@H+]1CCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1Cc1ccccc1 ZINC000793108205 1078080876 /nfs/dbraw/zinc/08/08/76/1078080876.db2.gz IZIPYMULAUSQLM-INIZCTEOSA-N 1 1 416.865 2.572 20 5 HFBDMO Cc1cn(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000772829096 1078100849 /nfs/dbraw/zinc/10/08/49/1078100849.db2.gz RGRDNTNQQQRTTR-IEBWSBKVSA-N 1 1 411.506 2.762 20 5 HFBDMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNc3c([N+](=O)[O-])cccc3[N+](=O)[O-])c2)C1 ZINC000804442139 1078506623 /nfs/dbraw/zinc/50/66/23/1078506623.db2.gz OAZZETYQGJXOMJ-MRXNPFEDSA-N 1 1 413.434 2.812 20 5 HFBDMO CC[NH+]1CCN(C(=O)CC2CCN(c3cc(OC)cc(F)c3[N+](=O)[O-])CC2)CC1 ZINC000747218470 1078686426 /nfs/dbraw/zinc/68/64/26/1078686426.db2.gz VTBSRDBJZIRCIX-UHFFFAOYSA-N 1 1 408.474 2.513 20 5 HFBDMO C[NH+](C)C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000805119483 1078903170 /nfs/dbraw/zinc/90/31/70/1078903170.db2.gz FTDMBDLANUURCD-CQSZACIVSA-N 1 1 401.847 2.969 20 5 HFBDMO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000805762161 1079264111 /nfs/dbraw/zinc/26/41/11/1079264111.db2.gz NZNCSQRPDNKSQF-MRXNPFEDSA-N 1 1 420.466 2.836 20 5 HFBDMO CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN(C)[C@H](C)C[NH+]2CCOCC2)c1=S ZINC000788379956 1077135348 /nfs/dbraw/zinc/13/53/48/1077135348.db2.gz YVRKMDNPAWNTAL-OAHLLOKOSA-N 1 1 420.539 2.619 20 5 HFBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000788912677 1077350549 /nfs/dbraw/zinc/35/05/49/1077350549.db2.gz KUHYAKMPVJGGDN-VXGBXAGGSA-N 1 1 420.329 2.756 20 5 HFBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)[C@H](C)C1 ZINC000791366523 1077394741 /nfs/dbraw/zinc/39/47/41/1077394741.db2.gz JSRABTRULDSERV-RHSMWYFYSA-N 1 1 410.490 2.667 20 5 HFBDMO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000789474098 1077566993 /nfs/dbraw/zinc/56/69/93/1077566993.db2.gz BDTRYTZLLPLLQF-HNNXBMFYSA-N 1 1 423.466 2.588 20 5 HFBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000789474098 1077566997 /nfs/dbraw/zinc/56/69/97/1077566997.db2.gz BDTRYTZLLPLLQF-HNNXBMFYSA-N 1 1 423.466 2.588 20 5 HFBDMO Cc1ccc(Sc2ccc(C[NH2+]C[C@H]3CC(C(N)=O)=NO3)cc2[N+](=O)[O-])cc1 ZINC000789559926 1077678689 /nfs/dbraw/zinc/67/86/89/1077678689.db2.gz DJJAAAJNQPFRCW-CQSZACIVSA-N 1 1 400.460 2.774 20 5 HFBDMO CCOC(=O)c1cc2n(n1)CCC[N@H+]([C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C2 ZINC001170336136 1077947224 /nfs/dbraw/zinc/94/72/24/1077947224.db2.gz UKWXKJNZAODXHN-CQSZACIVSA-N 1 1 402.451 2.814 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@H+]2CCC[C@@H](Oc3nccc(OC)n3)C2)c([N+](=O)[O-])c1 ZINC001170355650 1077949248 /nfs/dbraw/zinc/94/92/48/1077949248.db2.gz NYNIVJHKZVPFQC-RHSMWYFYSA-N 1 1 402.451 2.876 20 5 HFBDMO CCOC[C@H]1C[N@@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])Cc2nnn(CC)c21 ZINC001170338413 1077952101 /nfs/dbraw/zinc/95/21/01/1077952101.db2.gz AKUIZEROMFERDH-GDBMZVCRSA-N 1 1 403.483 2.782 20 5 HFBDMO CCOC[C@H]1C[N@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])Cc2nnn(CC)c21 ZINC001170338413 1077952102 /nfs/dbraw/zinc/95/21/02/1077952102.db2.gz AKUIZEROMFERDH-GDBMZVCRSA-N 1 1 403.483 2.782 20 5 HFBDMO COc1ccc(C[C@H](C)[N@@H+]2CCc3onc(C(=O)NC(C)C)c3C2)c([N+](=O)[O-])c1 ZINC001170339374 1077952282 /nfs/dbraw/zinc/95/22/82/1077952282.db2.gz AGNDKFGDIOGUOV-ZDUSSCGKSA-N 1 1 402.451 2.719 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2CCc3onc(C(=O)NC(C)C)c3C2)c([N+](=O)[O-])c1 ZINC001170339374 1077952284 /nfs/dbraw/zinc/95/22/84/1077952284.db2.gz AGNDKFGDIOGUOV-ZDUSSCGKSA-N 1 1 402.451 2.719 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@H]3OCC[C@@H](C(=O)NC4CC4)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170340516 1077952892 /nfs/dbraw/zinc/95/28/92/1077952892.db2.gz MRWPTOATVZRDJZ-QSMXQIJUSA-N 1 1 417.506 2.540 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@]3(C[C@@H]3C(=O)NCc3cccnc3)C2)c([N+](=O)[O-])c1 ZINC001170341536 1077953384 /nfs/dbraw/zinc/95/33/84/1077953384.db2.gz KAUUIDGKAVVYBE-YBVWCTEOSA-N 1 1 424.501 2.958 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@H+]2C[C@@H]3COC[C@]3(CNC(=O)CC(C)C)C2)c([N+](=O)[O-])c1 ZINC001170341568 1077953465 /nfs/dbraw/zinc/95/34/65/1077953465.db2.gz RKTMRMRKNQRPHV-CDMIOBSGSA-N 1 1 419.522 2.645 20 5 HFBDMO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000772824746 1078040042 /nfs/dbraw/zinc/04/00/42/1078040042.db2.gz CBSCKJRSURNORZ-UWJYYQICSA-N 1 1 409.490 2.725 20 5 HFBDMO COc1ccc([C@@H](C[NH+](C)C)NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000790482672 1078041635 /nfs/dbraw/zinc/04/16/35/1078041635.db2.gz OIACKASKADFAFP-OAHLLOKOSA-N 1 1 413.883 2.838 20 5 HFBDMO CC[N@@H+](CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C1CCCCC1 ZINC001130786707 1080097104 /nfs/dbraw/zinc/09/71/04/1080097104.db2.gz QIPKJLRVJKTVQE-KRWDZBQOSA-N 1 1 420.510 2.953 20 5 HFBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000807544349 1080759893 /nfs/dbraw/zinc/75/98/93/1080759893.db2.gz QARWMCHJRFGQAE-YOEHRIQHSA-N 1 1 414.437 2.760 20 5 HFBDMO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164697719 719893827 /nfs/dbraw/zinc/89/38/27/719893827.db2.gz NZISHHKIOGEQTD-UHFFFAOYSA-N 1 1 424.910 2.815 20 5 HFBDMO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164697719 719893829 /nfs/dbraw/zinc/89/38/29/719893829.db2.gz NZISHHKIOGEQTD-UHFFFAOYSA-N 1 1 424.910 2.815 20 5 HFBDMO COc1cc2ncnc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2cc1[N+](=O)[O-] ZINC001164727726 720387370 /nfs/dbraw/zinc/38/73/70/720387370.db2.gz RFDZRIVOISBCSH-ROUUACIJSA-N 1 1 406.446 2.795 20 5 HFBDMO Cc1nc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1[N+](=O)[O-] ZINC001164836597 720508379 /nfs/dbraw/zinc/50/83/79/720508379.db2.gz NHAHCBBXVANOCI-ARFHVFGLSA-N 1 1 419.917 2.921 20 5 HFBDMO COc1ncnc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1[N+](=O)[O-] ZINC001164844434 720690518 /nfs/dbraw/zinc/69/05/18/720690518.db2.gz RZWLXUPXFLYAHP-KRWDZBQOSA-N 1 1 413.478 2.653 20 5 HFBDMO O=[N+]([O-])c1ccc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1-c1ccccc1 ZINC001164746660 720802408 /nfs/dbraw/zinc/80/24/08/720802408.db2.gz MHLTVHBLPJMDPU-ZWKOTPCHSA-N 1 1 418.457 2.789 20 5 HFBDMO COCC[N@H+]1CCO[C@@H]2CN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164857099 720850433 /nfs/dbraw/zinc/85/04/33/720850433.db2.gz XJAPDMUYNVJZCE-RHSMWYFYSA-N 1 1 420.897 2.970 20 5 HFBDMO COCC[N@H+]1CCO[C@@H]2CN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)CC[C@H]2C1 ZINC001164855896 720877360 /nfs/dbraw/zinc/87/73/60/720877360.db2.gz ICMVFLIZCDUKGN-IFXJQAMLSA-N 1 1 420.897 2.970 20 5 HFBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)cc(Cl)c4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164762608 721120724 /nfs/dbraw/zinc/12/07/24/721120724.db2.gz CYIAFXNBXVORQJ-QWHCGFSZSA-N 1 1 411.293 2.988 20 5 HFBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc([N+](=O)[O-])cc1F)CC2 ZINC001164784418 721456845 /nfs/dbraw/zinc/45/68/45/721456845.db2.gz FEKUUUQMUMDDBV-GOSISDBHSA-N 1 1 422.501 2.863 20 5 HFBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164900452 721519490 /nfs/dbraw/zinc/51/94/90/721519490.db2.gz RCDDLNUWJORHDY-HIFRSBDPSA-N 1 1 407.833 2.828 20 5 HFBDMO O=[N+]([O-])c1cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc2[nH]ccc21 ZINC001164959988 722058295 /nfs/dbraw/zinc/05/82/95/722058295.db2.gz BPHJOWCBDDLLNX-UHFFFAOYSA-N 1 1 422.489 2.985 20 5 HFBDMO O=[N+]([O-])c1cc(Cl)nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164982042 722100498 /nfs/dbraw/zinc/10/04/98/722100498.db2.gz MMJFDQLEIIJXKB-NVXWUHKLSA-N 1 1 403.870 2.766 20 5 HFBDMO Cc1cc(CNC(=O)c2cc([N+](=O)[O-])ncc2Br)cc(N2CCCC2)[nH+]1 ZINC000793228341 1078101874 /nfs/dbraw/zinc/10/18/74/1078101874.db2.gz GFKJICYJYWNKHV-UHFFFAOYSA-N 1 1 420.267 2.986 20 5 HFBDMO Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000790879540 1078169111 /nfs/dbraw/zinc/16/91/11/1078169111.db2.gz GYMBJBAIVOPMTI-NEPJUHHUSA-N 1 1 414.484 2.519 20 5 HFBDMO CCCN(CC[NH+]1CCCCCC1)C(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001129581445 1078570866 /nfs/dbraw/zinc/57/08/66/1078570866.db2.gz ITHNSJLVZWXFKA-UHFFFAOYSA-N 1 1 411.524 2.727 20 5 HFBDMO Cc1ccc(N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c([N+](=O)[O-])c1Br ZINC000804567791 1078604551 /nfs/dbraw/zinc/60/45/51/1078604551.db2.gz YMEUDPNLACLOSX-AWEZNQCLSA-N 1 1 411.300 2.584 20 5 HFBDMO O=[N+]([O-])c1ccc(N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c([N+](=O)[O-])c1 ZINC000804807488 1078636879 /nfs/dbraw/zinc/63/68/79/1078636879.db2.gz GXWWVAREIOKUMN-IBGZPJMESA-N 1 1 411.462 2.900 20 5 HFBDMO C[N@@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000746703718 1076907276 /nfs/dbraw/zinc/90/72/76/1076907276.db2.gz QXSUMAGKNCDEQT-ZDUSSCGKSA-N 1 1 407.496 2.850 20 5 HFBDMO C[N@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000746703718 1076907278 /nfs/dbraw/zinc/90/72/78/1076907278.db2.gz QXSUMAGKNCDEQT-ZDUSSCGKSA-N 1 1 407.496 2.850 20 5 HFBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000787681180 1076909205 /nfs/dbraw/zinc/90/92/05/1076909205.db2.gz AAYISHHQLFLZIR-MRXNPFEDSA-N 1 1 402.495 2.520 20 5 HFBDMO CON(C)C(=O)CCN1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000788011893 1077028209 /nfs/dbraw/zinc/02/82/09/1077028209.db2.gz OUHOTYIPLJIBKS-UHFFFAOYSA-N 1 1 418.519 2.851 20 5 HFBDMO CON(C)C(=O)CC[NH+]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000788011893 1077028215 /nfs/dbraw/zinc/02/82/15/1077028215.db2.gz OUHOTYIPLJIBKS-UHFFFAOYSA-N 1 1 418.519 2.851 20 5 HFBDMO O=[N+]([O-])c1nn(CN2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1Br ZINC000788383498 1077137877 /nfs/dbraw/zinc/13/78/77/1077137877.db2.gz ZOTXJCCZUSJJLQ-UHFFFAOYSA-N 1 1 409.288 2.924 20 5 HFBDMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000791826783 1077575874 /nfs/dbraw/zinc/57/58/74/1077575874.db2.gz FKJFGXFPGCYDKJ-LAUBAEHRSA-N 1 1 408.458 2.726 20 5 HFBDMO C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789521121 1077615438 /nfs/dbraw/zinc/61/54/38/1077615438.db2.gz KHNLLIGIJGLEPI-SFHVURJKSA-N 1 1 424.457 2.626 20 5 HFBDMO O=c1c2c(ncn1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[N@@H+](Cc1ccccc1)CC2 ZINC000789590952 1077672773 /nfs/dbraw/zinc/67/27/73/1077672773.db2.gz ITSKKLRHIAPYQV-UHFFFAOYSA-N 1 1 421.413 2.666 20 5 HFBDMO O=c1c2c(ncn1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[N@H+](Cc1ccccc1)CC2 ZINC000789590952 1077672776 /nfs/dbraw/zinc/67/27/76/1077672776.db2.gz ITSKKLRHIAPYQV-UHFFFAOYSA-N 1 1 421.413 2.666 20 5 HFBDMO Cc1c(NC(=O)[C@@H](C)O[NH+]=C(N)CCNC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000789643591 1077717077 /nfs/dbraw/zinc/71/70/77/1077717077.db2.gz FGTRLMMCSNRBCP-GFCCVEGCSA-N 1 1 409.443 2.643 20 5 HFBDMO CCn1cc([C@@H](O)C[N@H+](Cc2ccccc2)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cn1 ZINC000792378489 1077844221 /nfs/dbraw/zinc/84/42/21/1077844221.db2.gz PQLGSYNVRWYOPP-NRFANRHFSA-N 1 1 423.473 2.646 20 5 HFBDMO CCn1cc([C@@H](O)C[N@@H+](Cc2ccccc2)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cn1 ZINC000792378489 1077844225 /nfs/dbraw/zinc/84/42/25/1077844225.db2.gz PQLGSYNVRWYOPP-NRFANRHFSA-N 1 1 423.473 2.646 20 5 HFBDMO COc1ccc(C[C@H](C)[NH2+]CC(=O)N2CCN(C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC001170319676 1077941899 /nfs/dbraw/zinc/94/18/99/1077941899.db2.gz YPRLAZCIFAFCSX-KRWDZBQOSA-N 1 1 418.538 2.601 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@H+]2C[C@@H](C(=O)N3CCCC3)C[C@H]3OCC[C@H]32)c([N+](=O)[O-])c1 ZINC001170335689 1077947020 /nfs/dbraw/zinc/94/70/20/1077947020.db2.gz QJKQLFFJXLDHBL-UKHYVGRKSA-N 1 1 417.506 2.636 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@H](Oc3nccc(OC)n3)C2)c([N+](=O)[O-])c1 ZINC001170355652 1077949214 /nfs/dbraw/zinc/94/92/14/1077949214.db2.gz NYNIVJHKZVPFQC-YOEHRIQHSA-N 1 1 402.451 2.876 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@H+]2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170339850 1077952602 /nfs/dbraw/zinc/95/26/02/1077952602.db2.gz KAOZKTBOMHPEFQ-AHRSYUTCSA-N 1 1 413.522 2.722 20 5 HFBDMO COc1ccc(C[C@H](C)[N@@H+]2C[C@H]3CN(C(=O)c4cccnc4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170343515 1077953877 /nfs/dbraw/zinc/95/38/77/1077953877.db2.gz PMLUHZWGZVFXQN-ZYSHUDEJSA-N 1 1 410.474 2.633 20 5 HFBDMO CS(=O)(=O)c1ccc([C@H](O)C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001170412473 1077966806 /nfs/dbraw/zinc/96/68/06/1077966806.db2.gz SGWMCFGKZLZQJL-FXAWDEMLSA-N 1 1 404.488 2.911 20 5 HFBDMO CS(=O)(=O)c1ccc([C@H](O)C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001170412473 1077966808 /nfs/dbraw/zinc/96/68/08/1077966808.db2.gz SGWMCFGKZLZQJL-FXAWDEMLSA-N 1 1 404.488 2.911 20 5 HFBDMO CS(=O)(=O)c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001170412476 1077966858 /nfs/dbraw/zinc/96/68/58/1077966858.db2.gz SGWMCFGKZLZQJL-XLIONFOSSA-N 1 1 404.488 2.911 20 5 HFBDMO CS(=O)(=O)c1ccc([C@@H](O)C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001170412476 1077966861 /nfs/dbraw/zinc/96/68/61/1077966861.db2.gz SGWMCFGKZLZQJL-XLIONFOSSA-N 1 1 404.488 2.911 20 5 HFBDMO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000772824744 1078039905 /nfs/dbraw/zinc/03/99/05/1078039905.db2.gz CBSCKJRSURNORZ-UTKZUKDTSA-N 1 1 409.490 2.725 20 5 HFBDMO C[C@]1(NC(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC001130610536 1079630085 /nfs/dbraw/zinc/63/00/85/1079630085.db2.gz SDIBPUVFWFXEBC-NRFANRHFSA-N 1 1 406.446 2.570 20 5 HFBDMO CC[N@H+]1CCC[C@H]1CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000806855183 1080060079 /nfs/dbraw/zinc/06/00/79/1080060079.db2.gz BJOPNDAMWRLOKI-LBPRGKRZSA-N 1 1 411.300 2.909 20 5 HFBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000807413416 1080612499 /nfs/dbraw/zinc/61/24/99/1080612499.db2.gz NWESKCTVYBWBGC-UHFFFAOYSA-N 1 1 408.842 2.760 20 5 HFBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc([N+](=O)[O-])c(OC(C)C)n1)C2 ZINC001164812993 720180166 /nfs/dbraw/zinc/18/01/66/720180166.db2.gz BHWGQXHRCSAEMM-DYESRHJHSA-N 1 1 404.511 2.962 20 5 HFBDMO O=[N+]([O-])c1ccc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1-c1ccccc1 ZINC001164746658 720802371 /nfs/dbraw/zinc/80/23/71/720802371.db2.gz MHLTVHBLPJMDPU-QZTJIDSGSA-N 1 1 418.457 2.789 20 5 HFBDMO COCC[N@H+]1CCO[C@H]2CN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)CC[C@@H]2C1 ZINC001164855900 720877076 /nfs/dbraw/zinc/87/70/76/720877076.db2.gz ICMVFLIZCDUKGN-KUHUBIRLSA-N 1 1 420.897 2.970 20 5 HFBDMO Cc1cc(Cl)nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164868379 721071875 /nfs/dbraw/zinc/07/18/75/721071875.db2.gz OFVZLANRIOSRSK-CVEARBPZSA-N 1 1 403.870 2.826 20 5 HFBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)c(Cl)cc4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164772632 721099764 /nfs/dbraw/zinc/09/97/64/721099764.db2.gz VJDGFNFWZCIUSA-QWHCGFSZSA-N 1 1 411.293 2.988 20 5 HFBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(-c5ccc([N+](=O)[O-])cc5)nn4)C[C@H]3C2)cn1 ZINC001164771444 721192159 /nfs/dbraw/zinc/19/21/59/721192159.db2.gz PXAINCJWQJUVTF-RBUKOAKNSA-N 1 1 419.489 2.744 20 5 HFBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(F)cc3[N+](=O)[O-])C2)C1 ZINC001164779753 721340940 /nfs/dbraw/zinc/34/09/40/721340940.db2.gz VRSOHKFETWBRNS-FQEVSTJZSA-N 1 1 419.457 2.853 20 5 HFBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(F)cc3[N+](=O)[O-])C2)C1 ZINC001164779753 721340948 /nfs/dbraw/zinc/34/09/48/721340948.db2.gz VRSOHKFETWBRNS-FQEVSTJZSA-N 1 1 419.457 2.853 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)[C@@H]2CCCO[C@@H]12 ZINC001164805392 721567884 /nfs/dbraw/zinc/56/78/84/721567884.db2.gz NKXBOJBCXADGKO-YVWKXTFCSA-N 1 1 408.462 2.734 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)[C@@H]2CCCO[C@@H]12 ZINC001164805392 721567890 /nfs/dbraw/zinc/56/78/90/721567890.db2.gz NKXBOJBCXADGKO-YVWKXTFCSA-N 1 1 408.462 2.734 20 5 HFBDMO COc1ncnc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1[N+](=O)[O-] ZINC001164911870 721754174 /nfs/dbraw/zinc/75/41/74/721754174.db2.gz ZZGLESPVFKEGGH-UHFFFAOYSA-N 1 1 410.434 2.576 20 5 HFBDMO COc1ncnc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1[N+](=O)[O-] ZINC001164911870 721754178 /nfs/dbraw/zinc/75/41/78/721754178.db2.gz ZZGLESPVFKEGGH-UHFFFAOYSA-N 1 1 410.434 2.576 20 5 HFBDMO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164952007 722018195 /nfs/dbraw/zinc/01/81/95/722018195.db2.gz FSZIODLWFIJZES-UHFFFAOYSA-N 1 1 403.870 2.769 20 5 HFBDMO COc1cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)ncc1[N+](=O)[O-] ZINC001164962222 722054952 /nfs/dbraw/zinc/05/49/52/722054952.db2.gz BOEGOPJGYZUHFU-UHFFFAOYSA-N 1 1 413.478 2.512 20 5 HFBDMO O=[N+]([O-])c1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001164980071 722100975 /nfs/dbraw/zinc/10/09/75/722100975.db2.gz JESYCAALRSHABX-MAUKXSAKSA-N 1 1 403.870 2.766 20 5 HFBDMO O=[N+]([O-])c1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc2[nH]ccc21 ZINC001164981119 722131746 /nfs/dbraw/zinc/13/17/46/722131746.db2.gz OODGGLHDTPMVEL-APWZRJJASA-N 1 1 408.462 2.593 20 5 HFBDMO COc1nc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc(OC)c1[N+](=O)[O-] ZINC001164994833 722199825 /nfs/dbraw/zinc/19/98/25/722199825.db2.gz QAKBZHAALYCXFJ-HXUWFJFHSA-N 1 1 417.441 2.786 20 5 HFBDMO C[N@H+]1CCC[C@H](CNC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000790770027 1078128470 /nfs/dbraw/zinc/12/84/70/1078128470.db2.gz NYJMMAYUKXAELE-GFCCVEGCSA-N 1 1 411.300 2.767 20 5 HFBDMO O=[N+]([O-])c1ccc(Br)c2c1CN(c1nc(N3CCOCC3)cc[nH+]1)CC2 ZINC000804703588 1078567560 /nfs/dbraw/zinc/56/75/60/1078567560.db2.gz QVJJKDRDFMMORC-UHFFFAOYSA-N 1 1 420.267 2.547 20 5 HFBDMO COCC[N@@H+]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C(C)(C)C1 ZINC001130416925 1079335034 /nfs/dbraw/zinc/33/50/34/1079335034.db2.gz GFOHJIXIZFNRNB-UHFFFAOYSA-N 1 1 407.514 2.724 20 5 HFBDMO COCC[N@H+]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C(C)(C)C1 ZINC001130416925 1079335038 /nfs/dbraw/zinc/33/50/38/1079335038.db2.gz GFOHJIXIZFNRNB-UHFFFAOYSA-N 1 1 407.514 2.724 20 5 HFBDMO CC(C)N1CC[NH+](CCCOC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000787588463 1076861599 /nfs/dbraw/zinc/86/15/99/1076861599.db2.gz BCHVFYGITBLBPX-UHFFFAOYSA-N 1 1 404.511 2.768 20 5 HFBDMO Cc1[nH+]ccn1CCCN(C)c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000746714805 1077002277 /nfs/dbraw/zinc/00/22/77/1077002277.db2.gz IEXSOGBRHYFSMF-UHFFFAOYSA-N 1 1 406.386 2.920 20 5 HFBDMO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[NH+](CCc2cccs2)CC1 ZINC000746720451 1077016210 /nfs/dbraw/zinc/01/62/10/1077016210.db2.gz SVRXZIZIYYDOHV-UHFFFAOYSA-N 1 1 420.447 2.716 20 5 HFBDMO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CN1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788383460 1077137792 /nfs/dbraw/zinc/13/77/92/1077137792.db2.gz YVBMHAXXPOLFEC-UHFFFAOYSA-N 1 1 409.446 2.561 20 5 HFBDMO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1CN1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788383470 1077137841 /nfs/dbraw/zinc/13/78/41/1077137841.db2.gz YWNMTSKBHCMRFU-UHFFFAOYSA-N 1 1 424.461 2.781 20 5 HFBDMO CCOC(=O)[C@@H]1[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CCN1C(=O)OC(C)(C)C ZINC000788738902 1077286195 /nfs/dbraw/zinc/28/61/95/1077286195.db2.gz MCQMDHHPLJUOLG-WBVHZDCISA-N 1 1 423.466 2.634 20 5 HFBDMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000792369161 1077819281 /nfs/dbraw/zinc/81/92/81/1077819281.db2.gz RCWUZHOBSWYHGU-HNNXBMFYSA-N 1 1 416.865 2.825 20 5 HFBDMO CCOc1cc(C[N@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001170281069 1077936916 /nfs/dbraw/zinc/93/69/16/1077936916.db2.gz URNRFWQCOHJHOI-KBPBESRZSA-N 1 1 401.385 2.836 20 5 HFBDMO COc1ccc(C[C@@H](C)[NH2+]CC(=O)N2CCN(C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC001170319686 1077941915 /nfs/dbraw/zinc/94/19/15/1077941915.db2.gz YPRLAZCIFAFCSX-QGZVFWFLSA-N 1 1 418.538 2.601 20 5 HFBDMO COCCN1CCOC[C@]2(CCC[N@H+]([C@@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])C2)C1 ZINC001170336536 1077947383 /nfs/dbraw/zinc/94/73/83/1077947383.db2.gz YUPNWJSATYUELM-PGRDOPGGSA-N 1 1 421.538 2.595 20 5 HFBDMO COCC[N@@H+]1CCOC[C@]2(CCCN([C@@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])C2)C1 ZINC001170336536 1077947385 /nfs/dbraw/zinc/94/73/85/1077947385.db2.gz YUPNWJSATYUELM-PGRDOPGGSA-N 1 1 421.538 2.595 20 5 HFBDMO COCC[N@H+]1CCOC[C@]2(CCCN([C@@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])C2)C1 ZINC001170336536 1077947388 /nfs/dbraw/zinc/94/73/88/1077947388.db2.gz YUPNWJSATYUELM-PGRDOPGGSA-N 1 1 421.538 2.595 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@H]3[C@H]2CC(=O)N3Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001170336558 1077947635 /nfs/dbraw/zinc/94/76/35/1077947635.db2.gz ZIENAZYQJMLCAS-PAXLWEDBSA-N 1 1 410.474 2.805 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@H+]2C[C@H](NC(=O)OC(C)(C)C)C3(COC3)C2)c([N+](=O)[O-])c1 ZINC001170355472 1077948986 /nfs/dbraw/zinc/94/89/86/1077948986.db2.gz GHNDULUJFFDWAC-KDOFPFPSSA-N 1 1 421.494 2.760 20 5 HFBDMO COc1ccc(C[C@H](C)[N@@H+]2CCc3ncc(Cn4cccn4)n3CC2)c([N+](=O)[O-])c1 ZINC001170338827 1077952080 /nfs/dbraw/zinc/95/20/80/1077952080.db2.gz DFHDYJLIKXYZOE-INIZCTEOSA-N 1 1 410.478 2.534 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2C[C@@H](OCC3CCOCC3)[C@H]3COC[C@H]32)c([N+](=O)[O-])c1 ZINC001170341387 1077953434 /nfs/dbraw/zinc/95/34/34/1077953434.db2.gz QAKVQXLRBNLYIF-RGGPELTISA-N 1 1 420.506 2.677 20 5 HFBDMO CS(=O)(=O)c1ccc([C@@H](O)C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001170412474 1077966758 /nfs/dbraw/zinc/96/67/58/1077966758.db2.gz SGWMCFGKZLZQJL-PXNSSMCTSA-N 1 1 404.488 2.911 20 5 HFBDMO CS(=O)(=O)c1ccc([C@@H](O)C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001170412474 1077966762 /nfs/dbraw/zinc/96/67/62/1077966762.db2.gz SGWMCFGKZLZQJL-PXNSSMCTSA-N 1 1 404.488 2.911 20 5 HFBDMO COc1ccc([C@@H](C[NH+](C)C)NS(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1 ZINC000790477959 1078040408 /nfs/dbraw/zinc/04/04/08/1078040408.db2.gz AOWRGFPABSRYHG-MRXNPFEDSA-N 1 1 411.455 2.632 20 5 HFBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C)ncc1[N+](=O)[O-])CC2 ZINC001164719458 720114272 /nfs/dbraw/zinc/11/42/72/720114272.db2.gz XGKFAJJXROWJET-GOSISDBHSA-N 1 1 412.494 2.596 20 5 HFBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc([N+](=O)[O-])c(OC(C)C)n1)C2 ZINC001164812996 720179189 /nfs/dbraw/zinc/17/91/89/720179189.db2.gz BHWGQXHRCSAEMM-UWJYYQICSA-N 1 1 404.511 2.962 20 5 HFBDMO CCOc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)ccc1[N+](=O)[O-] ZINC001164840654 720578783 /nfs/dbraw/zinc/57/87/83/720578783.db2.gz QEYLLVYLWABHPA-KZNAEPCWSA-N 1 1 414.510 2.963 20 5 HFBDMO COCC[N@H+]1CCO[C@H]2CN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])CC[C@H]2C1 ZINC001164862948 720889405 /nfs/dbraw/zinc/88/94/05/720889405.db2.gz SDBDLLNQCMMIMT-KXBFYZLASA-N 1 1 420.897 2.970 20 5 HFBDMO CC(C)Oc1nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164878325 721158849 /nfs/dbraw/zinc/15/88/49/721158849.db2.gz PSRWRTBMNWQGHT-QZTJIDSGSA-N 1 1 413.478 2.652 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(Cl)c2[N+](=O)[O-])[C@@H]2CCCO[C@@H]12 ZINC001164795692 721528477 /nfs/dbraw/zinc/52/84/77/721528477.db2.gz RRJOTORFFUPORF-JFIYKMOQSA-N 1 1 403.870 2.906 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(Cl)c2[N+](=O)[O-])[C@@H]2CCCO[C@@H]12 ZINC001164795692 721528480 /nfs/dbraw/zinc/52/84/80/721528480.db2.gz RRJOTORFFUPORF-JFIYKMOQSA-N 1 1 403.870 2.906 20 5 HFBDMO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC001164931431 721885803 /nfs/dbraw/zinc/88/58/03/721885803.db2.gz FEUMRUAFMZCRJI-ZWKOTPCHSA-N 1 1 416.913 2.920 20 5 HFBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC001164931431 721885804 /nfs/dbraw/zinc/88/58/04/721885804.db2.gz FEUMRUAFMZCRJI-ZWKOTPCHSA-N 1 1 416.913 2.920 20 5 HFBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955065 722013010 /nfs/dbraw/zinc/01/30/10/722013010.db2.gz SIGZJMDTAYGTNB-UHFFFAOYSA-N 1 1 411.462 2.664 20 5 HFBDMO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164955287 722019277 /nfs/dbraw/zinc/01/92/77/722019277.db2.gz DIOAOHIWXITELJ-UHFFFAOYSA-N 1 1 403.870 2.769 20 5 HFBDMO O=[N+]([O-])c1c[nH]c2ccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc21 ZINC001164973915 722127100 /nfs/dbraw/zinc/12/71/00/722127100.db2.gz HZDNBIKUHIXZCS-LPHOPBHVSA-N 1 1 408.462 2.593 20 5 HFBDMO O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c21 ZINC001164973946 722152875 /nfs/dbraw/zinc/15/28/75/722152875.db2.gz NOOVZROTYPFFQQ-XLIONFOSSA-N 1 1 420.473 2.660 20 5 HFBDMO C[C@@H]1C[C@H](NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC[N@H+]1C ZINC000790771014 1078129225 /nfs/dbraw/zinc/12/92/25/1078129225.db2.gz UBWWQXWDLWCUHP-VXGBXAGGSA-N 1 1 411.300 2.908 20 5 HFBDMO C[C@@H](CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)[N@@H+](C)C1CC1 ZINC000790772180 1078129527 /nfs/dbraw/zinc/12/95/27/1078129527.db2.gz XDHQPTYFHNLZSV-NSHDSACASA-N 1 1 411.300 2.908 20 5 HFBDMO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000790825738 1078158133 /nfs/dbraw/zinc/15/81/33/1078158133.db2.gz AHNYDAWGAXVAJA-NEPJUHHUSA-N 1 1 414.484 2.519 20 5 HFBDMO C[N@@H+]1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000793503928 1078204715 /nfs/dbraw/zinc/20/47/15/1078204715.db2.gz HPPRKYCKMKKNNW-LJQANCHMSA-N 1 1 412.446 2.821 20 5 HFBDMO C[N@H+]1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000793503928 1078204717 /nfs/dbraw/zinc/20/47/17/1078204717.db2.gz HPPRKYCKMKKNNW-LJQANCHMSA-N 1 1 412.446 2.821 20 5 HFBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000804527765 1078566463 /nfs/dbraw/zinc/56/64/63/1078566463.db2.gz SUTKVVMGFHAQRQ-QGZVFWFLSA-N 1 1 409.490 2.744 20 5 HFBDMO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000805765674 1079265896 /nfs/dbraw/zinc/26/58/96/1079265896.db2.gz XLTBXQCTKYAZDB-MRXNPFEDSA-N 1 1 406.483 2.963 20 5 HFBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000805801542 1079280489 /nfs/dbraw/zinc/28/04/89/1079280489.db2.gz OXKCTEGTXLFWHX-ZFWWWQNUSA-N 1 1 422.482 2.920 20 5 HFBDMO O=C(NC1CCCCC1)OC[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000805828828 1079298425 /nfs/dbraw/zinc/29/84/25/1079298425.db2.gz BWAUNYSPKHZPCQ-GOSISDBHSA-N 1 1 406.483 2.670 20 5 HFBDMO Cn1cccc1[C@H]1CCCC[N@@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000746679522 1076773534 /nfs/dbraw/zinc/77/35/34/1076773534.db2.gz OXNUDJRFEJQFSI-OAQYLSRUSA-N 1 1 411.506 2.809 20 5 HFBDMO Cn1cccc1[C@H]1CCCC[N@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000746679522 1076773539 /nfs/dbraw/zinc/77/35/39/1076773539.db2.gz OXNUDJRFEJQFSI-OAQYLSRUSA-N 1 1 411.506 2.809 20 5 HFBDMO O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791940420 1077600485 /nfs/dbraw/zinc/60/04/85/1077600485.db2.gz SDSVOSFUUAYCHT-SVMVAKDDSA-N 1 1 420.469 2.678 20 5 HFBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000789513118 1077604787 /nfs/dbraw/zinc/60/47/87/1077604787.db2.gz GPNSXZUJZCTJNQ-WBVHZDCISA-N 1 1 404.419 2.828 20 5 HFBDMO C[C@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000792063635 1077670540 /nfs/dbraw/zinc/67/05/40/1077670540.db2.gz NGVRWLGIHILVBI-HNNXBMFYSA-N 1 1 406.483 2.715 20 5 HFBDMO COC(=O)COc1ccc(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)cc1[N+](=O)[O-] ZINC000792185068 1077737878 /nfs/dbraw/zinc/73/78/78/1077737878.db2.gz XPYYPYUCBYCVNJ-UHFFFAOYSA-N 1 1 419.409 2.724 20 5 HFBDMO C[NH+](C)CCCOC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000792203915 1077744331 /nfs/dbraw/zinc/74/43/31/1077744331.db2.gz TYXQADBTKOHNSM-UHFFFAOYSA-N 1 1 407.448 2.504 20 5 HFBDMO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)CC2 ZINC000792298290 1077794960 /nfs/dbraw/zinc/79/49/60/1077794960.db2.gz FVODDGQKTSIKRA-UHFFFAOYSA-N 1 1 418.494 2.735 20 5 HFBDMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000792367795 1077818137 /nfs/dbraw/zinc/81/81/37/1077818137.db2.gz HWHZHAJXFRTQSS-HNNXBMFYSA-N 1 1 416.865 2.825 20 5 HFBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+](CCO)Cc2ccc(Br)s2)cc1 ZINC000792485351 1077878470 /nfs/dbraw/zinc/87/84/70/1077878470.db2.gz XVRCXVHVFIIPGM-AWEZNQCLSA-N 1 1 401.282 2.947 20 5 HFBDMO COc1ccc(C[C@H](C)[N@@H+]2C[C@@H](OC)[C@@H](NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170355438 1077948957 /nfs/dbraw/zinc/94/89/57/1077948957.db2.gz FIAHTHRCBPVVOD-QANKJYHBSA-N 1 1 409.483 2.758 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2C[C@@H](OC)[C@@H](NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170355438 1077948961 /nfs/dbraw/zinc/94/89/61/1077948961.db2.gz FIAHTHRCBPVVOD-QANKJYHBSA-N 1 1 409.483 2.758 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@H+]2CC[C@H]3OCC[C@@]3(C(=O)NCC3CC3)C2)c([N+](=O)[O-])c1 ZINC001170339411 1077952266 /nfs/dbraw/zinc/95/22/66/1077952266.db2.gz BHNJNFBNYLRYKZ-RBQRDFNRSA-N 1 1 417.506 2.542 20 5 HFBDMO COc1ccc(C[C@H](C)[N@@H+]2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170341532 1077953350 /nfs/dbraw/zinc/95/33/50/1077953350.db2.gz KAOZKTBOMHPEFQ-PWIZWCRZSA-N 1 1 413.522 2.722 20 5 HFBDMO COc1ccc(C[C@H](C)[N@@H+]2CCO[C@@H]3C[C@@H](C(=O)NC(C)C)C[C@H]32)c([N+](=O)[O-])c1 ZINC001170343978 1077954177 /nfs/dbraw/zinc/95/41/77/1077954177.db2.gz WADYUUFTHYJXEE-QTLCSOKXSA-N 1 1 405.495 2.538 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2CCO[C@@H]3C[C@@H](C(=O)NC(C)C)C[C@H]32)c([N+](=O)[O-])c1 ZINC001170343978 1077954179 /nfs/dbraw/zinc/95/41/79/1077954179.db2.gz WADYUUFTHYJXEE-QTLCSOKXSA-N 1 1 405.495 2.538 20 5 HFBDMO COc1ccc([C@H](C[NH+](C)C)NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000790482671 1078041425 /nfs/dbraw/zinc/04/14/25/1078041425.db2.gz OIACKASKADFAFP-HNNXBMFYSA-N 1 1 413.883 2.838 20 5 HFBDMO O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001130733567 1079973177 /nfs/dbraw/zinc/97/31/77/1079973177.db2.gz SZDYIMMCJMIVJI-UXHICEINSA-N 1 1 417.412 2.989 20 5 HFBDMO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3C[C@H](C)[N@H+](C)C[C@H]3C)c2c1C ZINC001164635947 719246658 /nfs/dbraw/zinc/24/66/58/719246658.db2.gz RLEMWGXFZQIJAU-NWDGAFQWSA-N 1 1 415.523 2.990 20 5 HFBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc([N+](=O)[O-])c(OC(C)C)n1)C2 ZINC001164812995 720179530 /nfs/dbraw/zinc/17/95/30/720179530.db2.gz BHWGQXHRCSAEMM-UTKZUKDTSA-N 1 1 404.511 2.962 20 5 HFBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1 ZINC001164813460 720218316 /nfs/dbraw/zinc/21/83/16/720218316.db2.gz MPGAJAKTBMIPAC-UHFFFAOYSA-N 1 1 420.901 2.759 20 5 HFBDMO COc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)ccc1[N+](=O)[O-] ZINC001164841669 720519453 /nfs/dbraw/zinc/51/94/53/720519453.db2.gz ZJHPOAMJYWMZFM-IXDOHACOSA-N 1 1 400.483 2.573 20 5 HFBDMO COc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c([N+](=O)[O-])c1 ZINC001164835431 720536384 /nfs/dbraw/zinc/53/63/84/720536384.db2.gz HJFUTQAYIXDVED-LZLYRXPVSA-N 1 1 400.483 2.573 20 5 HFBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(F)cc3[N+](=O)[O-])C2)C1 ZINC001164779754 721341157 /nfs/dbraw/zinc/34/11/57/721341157.db2.gz VRSOHKFETWBRNS-HXUWFJFHSA-N 1 1 419.457 2.853 20 5 HFBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncc(F)cc3[N+](=O)[O-])C2)C1 ZINC001164779754 721341160 /nfs/dbraw/zinc/34/11/60/721341160.db2.gz VRSOHKFETWBRNS-HXUWFJFHSA-N 1 1 419.457 2.853 20 5 HFBDMO O=[N+]([O-])c1c[nH]c2ccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nc21 ZINC001164962366 722057419 /nfs/dbraw/zinc/05/74/19/722057419.db2.gz DHUOJMYOVDPBBX-UHFFFAOYSA-N 1 1 422.489 2.985 20 5 HFBDMO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978379 722100981 /nfs/dbraw/zinc/10/09/81/722100981.db2.gz GTGYGWPLYDCWDK-CRAIPNDOSA-N 1 1 403.870 2.766 20 5 HFBDMO O=[N+]([O-])c1ccc2nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)cnc2c1 ZINC001164984295 722105781 /nfs/dbraw/zinc/10/57/81/722105781.db2.gz SCZREBIOCJGIAW-LAUBAEHRSA-N 1 1 420.473 2.660 20 5 HFBDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000790498921 1078043907 /nfs/dbraw/zinc/04/39/07/1078043907.db2.gz VPQTWOSXQWJWDX-TXEJJXNPSA-N 1 1 401.866 2.934 20 5 HFBDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000790498921 1078043911 /nfs/dbraw/zinc/04/39/11/1078043911.db2.gz VPQTWOSXQWJWDX-TXEJJXNPSA-N 1 1 401.866 2.934 20 5 HFBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000793045733 1078054963 /nfs/dbraw/zinc/05/49/63/1078054963.db2.gz CBXPZNHWKXKSKK-YOEHRIQHSA-N 1 1 402.495 2.774 20 5 HFBDMO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cccc(CC(=O)N3CC[NH+](C)CC3)c2)c1F ZINC000790811854 1078126459 /nfs/dbraw/zinc/12/64/59/1078126459.db2.gz BOZWUIXUIQNFIX-UHFFFAOYSA-N 1 1 414.437 2.611 20 5 HFBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790777153 1078130877 /nfs/dbraw/zinc/13/08/77/1078130877.db2.gz HCRKPHDLXJPFOV-BZNIZROVSA-N 1 1 423.311 2.908 20 5 HFBDMO Cn1cc([C@H]2C[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC23CCOCC3)cn1 ZINC001170434023 1078201512 /nfs/dbraw/zinc/20/15/12/1078201512.db2.gz DGYOEZZIYXWEGM-QGZVFWFLSA-N 1 1 413.478 2.553 20 5 HFBDMO O=[N+]([O-])c1ccc(N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c2nonc21 ZINC000804809134 1078638617 /nfs/dbraw/zinc/63/86/17/1078638617.db2.gz PDCRLCAZJIBQTI-KRWDZBQOSA-N 1 1 408.462 2.528 20 5 HFBDMO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000804812116 1078657126 /nfs/dbraw/zinc/65/71/26/1078657126.db2.gz JPTYRFNWAURXIA-UHFFFAOYSA-N 1 1 400.391 2.610 20 5 HFBDMO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000804813547 1078657726 /nfs/dbraw/zinc/65/77/26/1078657726.db2.gz RNPPLTPKKINEMR-NEPJUHHUSA-N 1 1 407.414 2.951 20 5 HFBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC001130117726 1078988169 /nfs/dbraw/zinc/98/81/69/1078988169.db2.gz XHFSNKVXRSZZAN-UHFFFAOYSA-N 1 1 404.492 2.901 20 5 HFBDMO CC(C)C[N@@H+](C)CCCNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC001130523415 1079458549 /nfs/dbraw/zinc/45/85/49/1079458549.db2.gz ALBICPMLWLCKGD-UHFFFAOYSA-N 1 1 419.263 2.907 20 5 HFBDMO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000788460581 1077166682 /nfs/dbraw/zinc/16/66/82/1077166682.db2.gz FYNZWRJQVATLRH-SFHVURJKSA-N 1 1 418.494 2.719 20 5 HFBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000788460581 1077166684 /nfs/dbraw/zinc/16/66/84/1077166684.db2.gz FYNZWRJQVATLRH-SFHVURJKSA-N 1 1 418.494 2.719 20 5 HFBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000788651003 1077225892 /nfs/dbraw/zinc/22/58/92/1077225892.db2.gz WJBCFOJPISSCJR-UHFFFAOYSA-N 1 1 415.288 2.932 20 5 HFBDMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000788651003 1077225894 /nfs/dbraw/zinc/22/58/94/1077225894.db2.gz WJBCFOJPISSCJR-UHFFFAOYSA-N 1 1 415.288 2.932 20 5 HFBDMO C[N@@H+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000788849840 1077319559 /nfs/dbraw/zinc/31/95/59/1077319559.db2.gz BFAXVCIJTMXDQC-OAHLLOKOSA-N 1 1 401.467 2.788 20 5 HFBDMO C[N@H+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000788849840 1077319565 /nfs/dbraw/zinc/31/95/65/1077319565.db2.gz BFAXVCIJTMXDQC-OAHLLOKOSA-N 1 1 401.467 2.788 20 5 HFBDMO CCC(CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)[NH+]1CCOCC1 ZINC000791205170 1077343214 /nfs/dbraw/zinc/34/32/14/1077343214.db2.gz OTNNUECMSMQKDU-LJQANCHMSA-N 1 1 410.490 2.667 20 5 HFBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000789513140 1077604814 /nfs/dbraw/zinc/60/48/14/1077604814.db2.gz HMEPQISPMOYTIR-HNNXBMFYSA-N 1 1 423.466 2.588 20 5 HFBDMO CC[N@@H+](CCNS(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C)C(C)C ZINC000790050767 1077929933 /nfs/dbraw/zinc/92/99/33/1077929933.db2.gz BLZOIHPNMBUVJE-UHFFFAOYSA-N 1 1 408.318 2.674 20 5 HFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCC(N)=O)[C@H]1CCOc2ccccc21 ZINC001170290148 1077938813 /nfs/dbraw/zinc/93/88/13/1077938813.db2.gz DIYIKUSMEBJSBQ-SFHVURJKSA-N 1 1 412.446 2.543 20 5 HFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCC(N)=O)[C@H]1CCOc2ccccc21 ZINC001170290148 1077938815 /nfs/dbraw/zinc/93/88/15/1077938815.db2.gz DIYIKUSMEBJSBQ-SFHVURJKSA-N 1 1 412.446 2.543 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@H+]2CC[C@@H](Oc3nc(C)cc(OC)n3)C2)c([N+](=O)[O-])c1 ZINC001170355627 1077949243 /nfs/dbraw/zinc/94/92/43/1077949243.db2.gz MXIRVWBXPVRFAK-RHSMWYFYSA-N 1 1 402.451 2.795 20 5 HFBDMO COc1ccc(C[C@H](C)[N@@H+]2CCCn3nnc(COCC4CC4)c3C2)c([N+](=O)[O-])c1 ZINC001170339820 1077952597 /nfs/dbraw/zinc/95/25/97/1077952597.db2.gz JUCYYQFNCOJGMN-HNNXBMFYSA-N 1 1 415.494 2.958 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2CCCn3nnc(COCC4CC4)c3C2)c([N+](=O)[O-])c1 ZINC001170339820 1077952599 /nfs/dbraw/zinc/95/25/99/1077952599.db2.gz JUCYYQFNCOJGMN-HNNXBMFYSA-N 1 1 415.494 2.958 20 5 HFBDMO COc1ccc(C[C@H](C)[N@@H+]2CCc3onc(C(=O)N4CCCC4)c3C2)c([N+](=O)[O-])c1 ZINC001170340856 1077953068 /nfs/dbraw/zinc/95/30/68/1077953068.db2.gz GWSREHFMUNVDSH-AWEZNQCLSA-N 1 1 414.462 2.817 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2CCc3onc(C(=O)N4CCCC4)c3C2)c([N+](=O)[O-])c1 ZINC001170340856 1077953069 /nfs/dbraw/zinc/95/30/69/1077953069.db2.gz GWSREHFMUNVDSH-AWEZNQCLSA-N 1 1 414.462 2.817 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)NC3CCC3)C2)c([N+](=O)[O-])c1 ZINC001170341670 1077953399 /nfs/dbraw/zinc/95/33/99/1077953399.db2.gz SFFZMVLHOHGOPT-CMBBURJTSA-N 1 1 417.506 2.540 20 5 HFBDMO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1OCC(=O)NC ZINC000792876156 1078015604 /nfs/dbraw/zinc/01/56/04/1078015604.db2.gz MAITVKAWLXNUBV-MRXNPFEDSA-N 1 1 402.407 2.869 20 5 HFBDMO C[C@@]1(NC(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC001130610538 1079630032 /nfs/dbraw/zinc/63/00/32/1079630032.db2.gz SDIBPUVFWFXEBC-OAQYLSRUSA-N 1 1 406.446 2.570 20 5 HFBDMO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001164699029 719895596 /nfs/dbraw/zinc/89/55/96/719895596.db2.gz VVVASSRRXHGHOV-UHFFFAOYSA-N 1 1 424.910 2.815 20 5 HFBDMO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001164699029 719895599 /nfs/dbraw/zinc/89/55/99/719895599.db2.gz VVVASSRRXHGHOV-UHFFFAOYSA-N 1 1 424.910 2.815 20 5 HFBDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nccc3cc([N+](=O)[O-])ccc31)CCC2 ZINC001164817426 720244953 /nfs/dbraw/zinc/24/49/53/720244953.db2.gz RFEBOMXJMSSEBV-UHFFFAOYSA-N 1 1 422.489 2.950 20 5 HFBDMO COc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)ncc1[N+](=O)[O-] ZINC001164842604 720532396 /nfs/dbraw/zinc/53/23/96/720532396.db2.gz YQSKEICYUPKELL-YESZJQIVSA-N 1 1 400.483 2.573 20 5 HFBDMO COCC[N@H+]1CCO[C@H]2CN(c3ccc4c(ccc(Cl)c4[N+](=O)[O-])n3)CC[C@@H]2C1 ZINC001164856889 720861793 /nfs/dbraw/zinc/86/17/93/720861793.db2.gz PUHPCDWVCFPEAN-KDOFPFPSSA-N 1 1 420.897 2.970 20 5 HFBDMO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164782804 721401031 /nfs/dbraw/zinc/40/10/31/721401031.db2.gz FSJYWABHEHZTRN-RKDXNWHRSA-N 1 1 401.279 2.716 20 5 HFBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164900457 721520040 /nfs/dbraw/zinc/52/00/40/721520040.db2.gz RCDDLNUWJORHDY-ZFWWWQNUSA-N 1 1 407.833 2.828 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cnc3cc([N+](=O)[O-])ccc3n2)[C@H]2CCCO[C@@H]12 ZINC001164811127 721537605 /nfs/dbraw/zinc/53/76/05/721537605.db2.gz YUICUMVZXKRXPH-TUNNFDKTSA-N 1 1 420.473 2.801 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cnc3cc([N+](=O)[O-])ccc3n2)[C@H]2CCCO[C@@H]12 ZINC001164811127 721537607 /nfs/dbraw/zinc/53/76/07/721537607.db2.gz YUICUMVZXKRXPH-TUNNFDKTSA-N 1 1 420.473 2.801 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)[C@H]2CCCO[C@H]12 ZINC001164809902 721563092 /nfs/dbraw/zinc/56/30/92/721563092.db2.gz YAHCURONFUXHQQ-CDXJDZJCSA-N 1 1 408.462 2.734 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)[C@H]2CCCO[C@@H]12 ZINC001164805390 721568508 /nfs/dbraw/zinc/56/85/08/721568508.db2.gz NKXBOJBCXADGKO-ILZDJORESA-N 1 1 408.462 2.734 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)[C@H]2CCCO[C@@H]12 ZINC001164805390 721568511 /nfs/dbraw/zinc/56/85/11/721568511.db2.gz NKXBOJBCXADGKO-ILZDJORESA-N 1 1 408.462 2.734 20 5 HFBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164909498 721757173 /nfs/dbraw/zinc/75/71/73/721757173.db2.gz FXJDNZSEGDHYAJ-UHFFFAOYSA-N 1 1 409.446 2.719 20 5 HFBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164909498 721757176 /nfs/dbraw/zinc/75/71/76/721757176.db2.gz FXJDNZSEGDHYAJ-UHFFFAOYSA-N 1 1 409.446 2.719 20 5 HFBDMO O=[N+]([O-])c1c[nH]c2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc21 ZINC001164973920 722126985 /nfs/dbraw/zinc/12/69/85/722126985.db2.gz HZDNBIKUHIXZCS-VQIMIIECSA-N 1 1 408.462 2.593 20 5 HFBDMO O=[N+]([O-])c1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc2[nH]ccc21 ZINC001164981125 722131694 /nfs/dbraw/zinc/13/16/94/722131694.db2.gz OODGGLHDTPMVEL-VQIMIIECSA-N 1 1 408.462 2.593 20 5 HFBDMO O=[N+]([O-])c1cccc2ncnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c21 ZINC001164973941 722153096 /nfs/dbraw/zinc/15/30/96/722153096.db2.gz NOOVZROTYPFFQQ-PXNSSMCTSA-N 1 1 420.473 2.660 20 5 HFBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C[C@@H]1C ZINC000790851065 1078149138 /nfs/dbraw/zinc/14/91/38/1078149138.db2.gz BNVCBEVRARVNHK-FZMZJTMJSA-N 1 1 414.484 2.613 20 5 HFBDMO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000804813548 1078657676 /nfs/dbraw/zinc/65/76/76/1078657676.db2.gz RNPPLTPKKINEMR-NWDGAFQWSA-N 1 1 407.414 2.951 20 5 HFBDMO CC(C)N1CC[NH+](CCCOC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000787571255 1076867481 /nfs/dbraw/zinc/86/74/81/1076867481.db2.gz JULSFNHDGOTVBN-UHFFFAOYSA-N 1 1 418.538 2.771 20 5 HFBDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790903721 1077243537 /nfs/dbraw/zinc/24/35/37/1077243537.db2.gz NDYHTHVHSDPAEB-UHFFFAOYSA-N 1 1 401.866 2.747 20 5 HFBDMO CCOC(=O)[C@@H]1[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CCN1C(=O)OC(C)(C)C ZINC000788738901 1077286230 /nfs/dbraw/zinc/28/62/30/1077286230.db2.gz MCQMDHHPLJUOLG-RDJZCZTQSA-N 1 1 423.466 2.634 20 5 HFBDMO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000791130708 1077296922 /nfs/dbraw/zinc/29/69/22/1077296922.db2.gz ABAGJWUOTQBOLP-FQEVSTJZSA-N 1 1 421.856 2.683 20 5 HFBDMO CN(C)c1cc(F)c(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1[N+](=O)[O-] ZINC000791196175 1077320779 /nfs/dbraw/zinc/32/07/79/1077320779.db2.gz FGPGCCOKQVXOOI-UHFFFAOYSA-N 1 1 408.474 2.565 20 5 HFBDMO CC(C)N1CC[NH+](CCCOC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000791779930 1077550115 /nfs/dbraw/zinc/55/01/15/1077550115.db2.gz XFKPGICFJGVPKO-OAHLLOKOSA-N 1 1 413.902 2.975 20 5 HFBDMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000792226324 1077751512 /nfs/dbraw/zinc/75/15/12/1077751512.db2.gz PQZAPRSWCDPMDE-HXUWFJFHSA-N 1 1 423.517 2.949 20 5 HFBDMO NC(=[NH2+])N(c1ccc(N2CCOCC2)cc1)c1cc([N+](=O)[O-])cc(Br)n1 ZINC001170167265 1077876784 /nfs/dbraw/zinc/87/67/84/1077876784.db2.gz XWZHTFDEWPZFLH-UHFFFAOYSA-N 1 1 421.255 2.620 20 5 HFBDMO COc1ccc(OC(=O)c2nnn(-c3cccc4c3CC[N@@H+](C)C4)c2C)cc1[N+](=O)[O-] ZINC000792589600 1077924640 /nfs/dbraw/zinc/92/46/40/1077924640.db2.gz GRCYZTGIFAKCJJ-UHFFFAOYSA-N 1 1 423.429 2.700 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2C[C@@H](C(=O)N3CCCC3)C[C@H]3OCC[C@H]32)c([N+](=O)[O-])c1 ZINC001170335684 1077947004 /nfs/dbraw/zinc/94/70/04/1077947004.db2.gz QJKQLFFJXLDHBL-ICSUOEFDSA-N 1 1 417.506 2.636 20 5 HFBDMO COC(=O)[C@H]1CCC[N@H+](C2CCN([C@@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])CC2)C1 ZINC001170355304 1077948998 /nfs/dbraw/zinc/94/89/98/1077948998.db2.gz ZHVBQNGGUDCIBX-WMZOPIPTSA-N 1 1 419.522 2.884 20 5 HFBDMO CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000747095486 1078039253 /nfs/dbraw/zinc/03/92/53/1078039253.db2.gz SRAWRARKQTVVFA-AWEZNQCLSA-N 1 1 424.473 2.587 20 5 HFBDMO CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000747095486 1078039258 /nfs/dbraw/zinc/03/92/58/1078039258.db2.gz SRAWRARKQTVVFA-AWEZNQCLSA-N 1 1 424.473 2.587 20 5 HFBDMO C[C@@H]1[C@@H](C)[N@H+](C)C[C@H](C)N1C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC001130589004 1079568495 /nfs/dbraw/zinc/56/84/95/1079568495.db2.gz CMMODFBVQPJFFX-HBNTYKKESA-N 1 1 417.247 2.753 20 5 HFBDMO CNC(=O)C[N@H+]1CCCC12CCN(c1ccc3c(ccc(Cl)c3[N+](=O)[O-])n1)CC2 ZINC001164684664 719726002 /nfs/dbraw/zinc/72/60/02/719726002.db2.gz JGZHRIYTUNHYAE-UHFFFAOYSA-N 1 1 417.897 2.977 20 5 HFBDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc3cccc([N+](=O)[O-])c3n1)CCC2 ZINC001164813474 720220911 /nfs/dbraw/zinc/22/09/11/720220911.db2.gz MPLLRDHPTAINJW-UHFFFAOYSA-N 1 1 422.489 2.950 20 5 HFBDMO COc1cc(C)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1[N+](=O)[O-] ZINC001164842964 720535865 /nfs/dbraw/zinc/53/58/65/720535865.db2.gz ZFCOPEXBEFVMBF-RCCFBDPRSA-N 1 1 414.510 2.881 20 5 HFBDMO Cc1c(C)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncc1[N+](=O)[O-] ZINC001164748236 720833243 /nfs/dbraw/zinc/83/32/43/720833243.db2.gz SRTPLDLORCBDST-GBESFXJTSA-N 1 1 411.510 2.578 20 5 HFBDMO Cc1c(C)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncc1[N+](=O)[O-] ZINC001164748239 720833710 /nfs/dbraw/zinc/83/37/10/720833710.db2.gz SRTPLDLORCBDST-GUDVDZBRSA-N 1 1 411.510 2.578 20 5 HFBDMO COCC[N@H+]1CCO[C@H]2CN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)CC[C@H]2C1 ZINC001164855903 720877206 /nfs/dbraw/zinc/87/72/06/720877206.db2.gz ICMVFLIZCDUKGN-LIRRHRJNSA-N 1 1 420.897 2.970 20 5 HFBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164870584 721073876 /nfs/dbraw/zinc/07/38/76/721073876.db2.gz WISJBHLECJVCFO-CVEARBPZSA-N 1 1 403.870 2.826 20 5 HFBDMO CC(C)Oc1nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164878324 721159463 /nfs/dbraw/zinc/15/94/63/721159463.db2.gz PSRWRTBMNWQGHT-MSOLQXFVSA-N 1 1 413.478 2.652 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)[C@H]2CCCO[C@@H]12 ZINC001164803368 721588316 /nfs/dbraw/zinc/58/83/16/721588316.db2.gz HUHKZGFWMNHQMR-QKNQBKEWSA-N 1 1 420.473 2.801 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)[C@H]2CCCO[C@@H]12 ZINC001164803368 721588317 /nfs/dbraw/zinc/58/83/17/721588317.db2.gz HUHKZGFWMNHQMR-QKNQBKEWSA-N 1 1 420.473 2.801 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)[C@@H]2CCCO[C@H]12 ZINC001164803369 721588447 /nfs/dbraw/zinc/58/84/47/721588447.db2.gz HUHKZGFWMNHQMR-SBHAEUEKSA-N 1 1 420.473 2.801 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)[C@@H]2CCCO[C@H]12 ZINC001164803369 721588450 /nfs/dbraw/zinc/58/84/50/721588450.db2.gz HUHKZGFWMNHQMR-SBHAEUEKSA-N 1 1 420.473 2.801 20 5 HFBDMO Cc1ncc([N+](=O)[O-])c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164906200 721700542 /nfs/dbraw/zinc/70/05/42/721700542.db2.gz MADRKYDBVXDQQX-SFHVURJKSA-N 1 1 404.421 2.826 20 5 HFBDMO COc1ncnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1[N+](=O)[O-] ZINC001164904371 721704523 /nfs/dbraw/zinc/70/45/23/721704523.db2.gz CKOCJKHBWRZVGO-SFHVURJKSA-N 1 1 420.420 2.526 20 5 HFBDMO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978387 722101034 /nfs/dbraw/zinc/10/10/34/722101034.db2.gz GTGYGWPLYDCWDK-YJBOKZPZSA-N 1 1 403.870 2.766 20 5 HFBDMO O=[N+]([O-])c1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001164980069 722101270 /nfs/dbraw/zinc/10/12/70/722101270.db2.gz JESYCAALRSHABX-CRAIPNDOSA-N 1 1 403.870 2.766 20 5 HFBDMO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978385 722101304 /nfs/dbraw/zinc/10/13/04/722101304.db2.gz GTGYGWPLYDCWDK-QAPCUYQASA-N 1 1 403.870 2.766 20 5 HFBDMO O=[N+]([O-])c1ccc2ncnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164973173 722112119 /nfs/dbraw/zinc/11/21/19/722112119.db2.gz GTEBHMPFDURTHC-DYESRHJHSA-N 1 1 420.473 2.660 20 5 HFBDMO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000793002032 1078045440 /nfs/dbraw/zinc/04/54/40/1078045440.db2.gz CPYMVCKRXRWFPA-WMLDXEAASA-N 1 1 402.495 2.774 20 5 HFBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000793045726 1078055005 /nfs/dbraw/zinc/05/50/05/1078055005.db2.gz CBXPZNHWKXKSKK-PBHICJAKSA-N 1 1 402.495 2.774 20 5 HFBDMO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000790825739 1078158096 /nfs/dbraw/zinc/15/80/96/1078158096.db2.gz AHNYDAWGAXVAJA-NWDGAFQWSA-N 1 1 414.484 2.519 20 5 HFBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001129564763 1078558387 /nfs/dbraw/zinc/55/83/87/1078558387.db2.gz YCTGZQGNCYJEIH-VQTJNVASSA-N 1 1 423.448 2.715 20 5 HFBDMO Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000746691351 1076860424 /nfs/dbraw/zinc/86/04/24/1076860424.db2.gz ZBXWRAAWBWHKHE-UHFFFAOYSA-N 1 1 417.285 2.573 20 5 HFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCn2c(Br)cnc2C1 ZINC000787998042 1077023568 /nfs/dbraw/zinc/02/35/68/1077023568.db2.gz WAEMTMIEODITBH-UHFFFAOYSA-N 1 1 408.256 2.707 20 5 HFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCn2c(Br)cnc2C1 ZINC000787998042 1077023573 /nfs/dbraw/zinc/02/35/73/1077023573.db2.gz WAEMTMIEODITBH-UHFFFAOYSA-N 1 1 408.256 2.707 20 5 HFBDMO CN(C)c1cc(F)c(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000791208490 1077344237 /nfs/dbraw/zinc/34/42/37/1077344237.db2.gz IXVAMHRWASQCNZ-UHFFFAOYSA-N 1 1 416.453 2.927 20 5 HFBDMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000789362009 1077537996 /nfs/dbraw/zinc/53/79/96/1077537996.db2.gz FRMHDKHPPIRAEV-BEFAXECRSA-N 1 1 415.446 2.984 20 5 HFBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 ZINC000746849305 1077759585 /nfs/dbraw/zinc/75/95/85/1077759585.db2.gz VDJCXNSIAVQVBP-ZIFCJYIRSA-N 1 1 416.522 2.909 20 5 HFBDMO COCCN1CCOC[C@]2(CCC[N@H+]([C@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])C2)C1 ZINC001170336537 1077947544 /nfs/dbraw/zinc/94/75/44/1077947544.db2.gz YUPNWJSATYUELM-XMSQKQJNSA-N 1 1 421.538 2.595 20 5 HFBDMO COCC[N@@H+]1CCOC[C@]2(CCCN([C@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])C2)C1 ZINC001170336537 1077947546 /nfs/dbraw/zinc/94/75/46/1077947546.db2.gz YUPNWJSATYUELM-XMSQKQJNSA-N 1 1 421.538 2.595 20 5 HFBDMO COCC[N@H+]1CCOC[C@]2(CCCN([C@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])C2)C1 ZINC001170336537 1077947549 /nfs/dbraw/zinc/94/75/49/1077947549.db2.gz YUPNWJSATYUELM-XMSQKQJNSA-N 1 1 421.538 2.595 20 5 HFBDMO COc1ccc(C[C@H](C)[N@@H+]2CCO[C@]3(CCCN(C(=O)C(C)C)C3)C2)c([N+](=O)[O-])c1 ZINC001170339401 1077952307 /nfs/dbraw/zinc/95/23/07/1077952307.db2.gz AZZVBYNBHHLPDZ-HTAPYJJXSA-N 1 1 419.522 2.884 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2CCO[C@]3(CCCN(C(=O)C(C)C)C3)C2)c([N+](=O)[O-])c1 ZINC001170339401 1077952312 /nfs/dbraw/zinc/95/23/12/1077952312.db2.gz AZZVBYNBHHLPDZ-HTAPYJJXSA-N 1 1 419.522 2.884 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@H+]2C[C@@H]3C[C@@H](Cc4nc(C)no4)O[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170339831 1077952591 /nfs/dbraw/zinc/95/25/91/1077952591.db2.gz JXCMXPDPRWPBBB-SKTNGFFKSA-N 1 1 402.451 2.558 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@H+]2CCCC23CCN(CC(=O)N(C)C)CC3)c([N+](=O)[O-])c1 ZINC001170341301 1077953133 /nfs/dbraw/zinc/95/31/33/1077953133.db2.gz IMKZVYSCTRRXPM-QGZVFWFLSA-N 1 1 418.538 2.553 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2C[C@@H]3COC[C@]3(CNC(=O)CC(C)C)C2)c([N+](=O)[O-])c1 ZINC001170341571 1077953454 /nfs/dbraw/zinc/95/34/54/1077953454.db2.gz RKTMRMRKNQRPHV-CECAUBDESA-N 1 1 419.522 2.645 20 5 HFBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000746884907 1077965264 /nfs/dbraw/zinc/96/52/64/1077965264.db2.gz DLDKQWFOHKVQJL-ZENOOKHLSA-N 1 1 406.439 2.525 20 5 HFBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000746884907 1077965265 /nfs/dbraw/zinc/96/52/65/1077965265.db2.gz DLDKQWFOHKVQJL-ZENOOKHLSA-N 1 1 406.439 2.525 20 5 HFBDMO COc1cc2ncnc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2cc1[N+](=O)[O-] ZINC001164727714 720387300 /nfs/dbraw/zinc/38/73/00/720387300.db2.gz RFDZRIVOISBCSH-QZTJIDSGSA-N 1 1 406.446 2.795 20 5 HFBDMO O=[N+]([O-])c1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164748709 720810282 /nfs/dbraw/zinc/81/02/82/720810282.db2.gz RBPAACHPIDCUEE-USXIJHARSA-N 1 1 417.901 2.614 20 5 HFBDMO O=[N+]([O-])c1cc(F)cnc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164958044 722053885 /nfs/dbraw/zinc/05/38/85/722053885.db2.gz AZFPRESJVYQMMA-UHFFFAOYSA-N 1 1 401.442 2.643 20 5 HFBDMO O=[N+]([O-])c1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1 ZINC001164980076 722100993 /nfs/dbraw/zinc/10/09/93/722100993.db2.gz JESYCAALRSHABX-YJBOKZPZSA-N 1 1 403.870 2.766 20 5 HFBDMO O=[N+]([O-])c1c(Cl)ccnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984753 722101115 /nfs/dbraw/zinc/10/11/15/722101115.db2.gz UTKYKHLNOPGHTC-WBVHZDCISA-N 1 1 403.870 2.766 20 5 HFBDMO O=[N+]([O-])c1c[nH]c2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc21 ZINC001164973913 722127446 /nfs/dbraw/zinc/12/74/46/722127446.db2.gz HZDNBIKUHIXZCS-APWZRJJASA-N 1 1 408.462 2.593 20 5 HFBDMO CCOc1nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164979736 722132085 /nfs/dbraw/zinc/13/20/85/722132085.db2.gz LXFVJTKBRSUZIF-HKUYNNGSSA-N 1 1 413.478 2.511 20 5 HFBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C[C@H]1C ZINC000790851070 1078149158 /nfs/dbraw/zinc/14/91/58/1078149158.db2.gz BNVCBEVRARVNHK-RISCZKNCSA-N 1 1 414.484 2.613 20 5 HFBDMO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000790826169 1078157790 /nfs/dbraw/zinc/15/77/90/1078157790.db2.gz IMQLXMSOEJAKKW-RYUDHWBXSA-N 1 1 414.484 2.661 20 5 HFBDMO CC[NH+]1CCN(C(=O)CC2CCN(c3ccc([N+](=O)[O-])cc3C(C)=O)CC2)CC1 ZINC000804443003 1078508808 /nfs/dbraw/zinc/50/88/08/1078508808.db2.gz ACOIXHZHTOJKNE-UHFFFAOYSA-N 1 1 402.495 2.568 20 5 HFBDMO C[C@@H]1CN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC[N@@H+]1Cc1ccccc1 ZINC001129829429 1078523394 /nfs/dbraw/zinc/52/33/94/1078523394.db2.gz YIDOVAQMMFFFEY-IIBYNOLFSA-N 1 1 408.458 2.821 20 5 HFBDMO C[C@@H]1CN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC[N@H+]1Cc1ccccc1 ZINC001129829429 1078523402 /nfs/dbraw/zinc/52/34/02/1078523402.db2.gz YIDOVAQMMFFFEY-IIBYNOLFSA-N 1 1 408.458 2.821 20 5 HFBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC001129926486 1078620024 /nfs/dbraw/zinc/62/00/24/1078620024.db2.gz XZYVXZIBDKTJLU-UHFFFAOYSA-N 1 1 400.273 2.540 20 5 HFBDMO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCC[N@@H+]1CCc2ccccc2C1 ZINC000746715978 1077003435 /nfs/dbraw/zinc/00/34/35/1077003435.db2.gz DXNWCYSSEAYOLP-UHFFFAOYSA-N 1 1 400.391 2.760 20 5 HFBDMO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCC[N@H+]1CCc2ccccc2C1 ZINC000746715978 1077003440 /nfs/dbraw/zinc/00/34/40/1077003440.db2.gz DXNWCYSSEAYOLP-UHFFFAOYSA-N 1 1 400.391 2.760 20 5 HFBDMO COC(=O)COc1ccc(C[NH2+]Cc2nc(-c3ccncc3)cs2)cc1[N+](=O)[O-] ZINC000788964942 1077365573 /nfs/dbraw/zinc/36/55/73/1077365573.db2.gz SBDBNCWCBBFMFH-UHFFFAOYSA-N 1 1 414.443 2.955 20 5 HFBDMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)c3cc([N+](=O)[O-])c(F)cc3N)cc2)C[C@H](C)O1 ZINC000791326481 1077375003 /nfs/dbraw/zinc/37/50/03/1077375003.db2.gz ZAJWGXVPJOSYFG-OKILXGFUSA-N 1 1 416.453 2.855 20 5 HFBDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000791982621 1077621696 /nfs/dbraw/zinc/62/16/96/1077621696.db2.gz XYLVINWELSAOHT-HKUYNNGSSA-N 1 1 418.457 2.932 20 5 HFBDMO CCOc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001170281072 1077936812 /nfs/dbraw/zinc/93/68/12/1077936812.db2.gz URNRFWQCOHJHOI-KGLIPLIRSA-N 1 1 401.385 2.836 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2C[C@H](NC(=O)OC(C)(C)C)C3(COC3)C2)c([N+](=O)[O-])c1 ZINC001170355473 1077948887 /nfs/dbraw/zinc/94/88/87/1077948887.db2.gz GHNDULUJFFDWAC-KSSFIOAISA-N 1 1 421.494 2.760 20 5 HFBDMO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@]3(CC(C(=O)N(C)C(C)C)=NO3)C2)c([N+](=O)[O-])c1 ZINC001170340523 1077953111 /nfs/dbraw/zinc/95/31/11/1077953111.db2.gz MTFUOTXWHZJXKS-YCRPNKLZSA-N 1 1 418.494 2.622 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@@]3(CC(C(=O)N(C)C(C)C)=NO3)C2)c([N+](=O)[O-])c1 ZINC001170340523 1077953112 /nfs/dbraw/zinc/95/31/12/1077953112.db2.gz MTFUOTXWHZJXKS-YCRPNKLZSA-N 1 1 418.494 2.622 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@H+]2C[C@@H]3C[C@H](Cc4nc(C)no4)O[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170341528 1077953413 /nfs/dbraw/zinc/95/34/13/1077953413.db2.gz JXCMXPDPRWPBBB-AHAHFWPDSA-N 1 1 402.451 2.558 20 5 HFBDMO O=C(C[N@H+]1CCCc2ccccc2CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001170342499 1077953650 /nfs/dbraw/zinc/95/36/50/1077953650.db2.gz OGICFMXJJFCETM-UHFFFAOYSA-N 1 1 408.502 2.734 20 5 HFBDMO COc1ccc([C@H](C[NH+](C)C)NS(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1 ZINC000790477957 1078040355 /nfs/dbraw/zinc/04/03/55/1078040355.db2.gz AOWRGFPABSRYHG-INIZCTEOSA-N 1 1 411.455 2.632 20 5 HFBDMO CC[N@@H+](CCCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC001130787012 1080097052 /nfs/dbraw/zinc/09/70/52/1080097052.db2.gz UWECLWJLCHZMSO-UHFFFAOYSA-N 1 1 400.483 2.950 20 5 HFBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000807544347 1080759818 /nfs/dbraw/zinc/75/98/18/1080759818.db2.gz QARWMCHJRFGQAE-RHSMWYFYSA-N 1 1 414.437 2.760 20 5 HFBDMO CC(C)n1nc(CN(C)C)c2c1CN(c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)CC2 ZINC001164653822 719314789 /nfs/dbraw/zinc/31/47/89/719314789.db2.gz ZQIJXKNMQKNZMH-VQHVLOKHSA-N 1 1 413.526 2.924 20 5 HFBDMO CCOC(=O)c1ccnc(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)c1[N+](=O)[O-] ZINC001164650401 719316816 /nfs/dbraw/zinc/31/68/16/719316816.db2.gz CULXKKIVYZGHTD-UHFFFAOYSA-N 1 1 416.482 2.568 20 5 HFBDMO CNC(=O)C[N@H+]1CCCC12CCN(c1ccc(-c3ccc(C)c([N+](=O)[O-])c3)nn1)CC2 ZINC001164684515 719732418 /nfs/dbraw/zinc/73/24/18/719732418.db2.gz HOCNSNPQUINTST-UHFFFAOYSA-N 1 1 424.505 2.541 20 5 HFBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])C2 ZINC001164812685 720092340 /nfs/dbraw/zinc/09/23/40/720092340.db2.gz RFQCOLUGYQJOSR-PXAZEXFGSA-N 1 1 416.309 2.876 20 5 HFBDMO CCOc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)ccc1[N+](=O)[O-] ZINC001164840652 720577679 /nfs/dbraw/zinc/57/76/79/720577679.db2.gz QEYLLVYLWABHPA-FGTMMUONSA-N 1 1 414.510 2.963 20 5 HFBDMO COc1nc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)ncc1[N+](=O)[O-] ZINC001164842012 720658065 /nfs/dbraw/zinc/65/80/65/720658065.db2.gz RPJZOJVRPACSFK-QGZVFWFLSA-N 1 1 413.478 2.653 20 5 HFBDMO O=[N+]([O-])c1cnc(Cl)cc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164737961 720816592 /nfs/dbraw/zinc/81/65/92/720816592.db2.gz CSBYLUHSKSXBIA-BZUAXINKSA-N 1 1 417.901 2.614 20 5 HFBDMO COCC[N@H+]1CCO[C@@H]2CN(c3ccc4c(ccc(Cl)c4[N+](=O)[O-])n3)CC[C@H]2C1 ZINC001164856887 720862047 /nfs/dbraw/zinc/86/20/47/720862047.db2.gz PUHPCDWVCFPEAN-KBXCAEBGSA-N 1 1 420.897 2.970 20 5 HFBDMO Cc1cc([N+](=O)[O-])c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1Cl ZINC001164866834 721073052 /nfs/dbraw/zinc/07/30/52/721073052.db2.gz GFZPKOVLPWBYJQ-CVEARBPZSA-N 1 1 403.870 2.826 20 5 HFBDMO Cc1cc(Cl)nc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1[N+](=O)[O-] ZINC001164887701 721399898 /nfs/dbraw/zinc/39/98/98/721399898.db2.gz MLRMWIDGCQIVNV-UZLBHIALSA-N 1 1 423.945 2.717 20 5 HFBDMO COc1cc2ncnc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c2cc1[N+](=O)[O-] ZINC001164782437 721411283 /nfs/dbraw/zinc/41/12/83/721411283.db2.gz GLQUBISOZRKBQI-BETUJISGSA-N 1 1 412.475 2.571 20 5 HFBDMO COc1cc2ncnc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c2cc1[N+](=O)[O-] ZINC001164782437 721411285 /nfs/dbraw/zinc/41/12/85/721411285.db2.gz GLQUBISOZRKBQI-BETUJISGSA-N 1 1 412.475 2.571 20 5 HFBDMO COc1cc(C)nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164903356 721530347 /nfs/dbraw/zinc/53/03/47/721530347.db2.gz CDJWCKMTSKFNEE-WBVHZDCISA-N 1 1 402.426 2.788 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)cc([N+](=O)[O-])n2)[C@@H]2CCCO[C@@H]21 ZINC001164807756 721545807 /nfs/dbraw/zinc/54/58/07/721545807.db2.gz QZDPUJYPBKLDHG-MDZRGWNJSA-N 1 1 403.870 2.906 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)cc([N+](=O)[O-])n2)[C@@H]2CCCO[C@@H]21 ZINC001164807756 721545808 /nfs/dbraw/zinc/54/58/08/721545808.db2.gz QZDPUJYPBKLDHG-MDZRGWNJSA-N 1 1 403.870 2.906 20 5 HFBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)cc([N+](=O)[O-])n2)[C@H]2CCCO[C@@H]12 ZINC001164807754 721546107 /nfs/dbraw/zinc/54/61/07/721546107.db2.gz QZDPUJYPBKLDHG-FRQCXROJSA-N 1 1 403.870 2.906 20 5 HFBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)cc([N+](=O)[O-])n2)[C@H]2CCCO[C@@H]12 ZINC001164807754 721546109 /nfs/dbraw/zinc/54/61/09/721546109.db2.gz QZDPUJYPBKLDHG-FRQCXROJSA-N 1 1 403.870 2.906 20 5 HFBDMO COc1cc(C)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1[N+](=O)[O-] ZINC001164802524 721550064 /nfs/dbraw/zinc/55/00/64/721550064.db2.gz GVVUTRQTYXAEQQ-ABSDTBQOSA-N 1 1 413.478 2.570 20 5 HFBDMO COc1cc(C)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1[N+](=O)[O-] ZINC001164802524 721550065 /nfs/dbraw/zinc/55/00/65/721550065.db2.gz GVVUTRQTYXAEQQ-ABSDTBQOSA-N 1 1 413.478 2.570 20 5 HFBDMO Nc1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ncc1[N+](=O)[O-] ZINC001164906803 721711869 /nfs/dbraw/zinc/71/18/69/721711869.db2.gz OKVMWTPUHVFQIA-SFHVURJKSA-N 1 1 404.421 2.705 20 5 HFBDMO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncnc(OC)c2[N+](=O)[O-])CC1 ZINC001165020534 721840732 /nfs/dbraw/zinc/84/07/32/721840732.db2.gz KMQZUIQDSOZCJU-UHFFFAOYSA-N 1 1 417.466 2.511 20 5 HFBDMO O=[N+]([O-])c1cnc(Cl)cc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980618 722105068 /nfs/dbraw/zinc/10/50/68/722105068.db2.gz JRHBYUBGSOIGGS-YJBOKZPZSA-N 1 1 403.870 2.766 20 5 HFBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971415 722112668 /nfs/dbraw/zinc/11/26/68/722112668.db2.gz CKBCMWJAHCIAJA-LAUBAEHRSA-N 1 1 420.473 2.660 20 5 HFBDMO O=[N+]([O-])c1c[nH]c2ccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc21 ZINC001164973917 722127617 /nfs/dbraw/zinc/12/76/17/722127617.db2.gz HZDNBIKUHIXZCS-QFBILLFUSA-N 1 1 408.462 2.593 20 5 HFBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000793055721 1078057605 /nfs/dbraw/zinc/05/76/05/1078057605.db2.gz JLEKSDCCEWEXOA-CVEARBPZSA-N 1 1 402.495 2.916 20 5 HFBDMO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000793589961 1078216781 /nfs/dbraw/zinc/21/67/81/1078216781.db2.gz JTZABJVLPFQTNL-NRFANRHFSA-N 1 1 407.430 2.628 20 5 HFBDMO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000793589961 1078216783 /nfs/dbraw/zinc/21/67/83/1078216783.db2.gz JTZABJVLPFQTNL-NRFANRHFSA-N 1 1 407.430 2.628 20 5 HFBDMO C[C@@H]1CN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC[N@@H+]1Cc1ccccc1 ZINC001129829428 1078523477 /nfs/dbraw/zinc/52/34/77/1078523477.db2.gz YIDOVAQMMFFFEY-IERDGZPVSA-N 1 1 408.458 2.821 20 5 HFBDMO C[C@@H]1CN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC[N@H+]1Cc1ccccc1 ZINC001129829428 1078523483 /nfs/dbraw/zinc/52/34/83/1078523483.db2.gz YIDOVAQMMFFFEY-IERDGZPVSA-N 1 1 408.458 2.821 20 5 HFBDMO O=Cc1ccc(OCC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c([N+](=O)[O-])c1 ZINC000804534046 1078571231 /nfs/dbraw/zinc/57/12/31/1078571231.db2.gz LTMQCZJDIQFIMP-QHCPKHFHSA-N 1 1 423.469 2.911 20 5 HFBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)[N@H+]1CCc2ccccc2C1 ZINC000791214326 1077346780 /nfs/dbraw/zinc/34/67/80/1077346780.db2.gz GOPLVYHFXOFCMM-CQSZACIVSA-N 1 1 400.454 2.977 20 5 HFBDMO COC(=O)COc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cc1[N+](=O)[O-] ZINC000788967100 1077365910 /nfs/dbraw/zinc/36/59/10/1077365910.db2.gz QCQYOBMDBYRUEB-UHFFFAOYSA-N 1 1 409.782 2.998 20 5 HFBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000791329866 1077375872 /nfs/dbraw/zinc/37/58/72/1077375872.db2.gz VUSSYKSNYQDMOS-UHFFFAOYSA-N 1 1 408.380 2.989 20 5 HFBDMO CC(C)[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000791628475 1077519559 /nfs/dbraw/zinc/51/95/59/1077519559.db2.gz POELKMKOQKIGQW-SFHVURJKSA-N 1 1 420.901 2.559 20 5 HFBDMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000789362012 1077537873 /nfs/dbraw/zinc/53/78/73/1077537873.db2.gz FRMHDKHPPIRAEV-HNAYVOBHSA-N 1 1 415.446 2.984 20 5 HFBDMO Cc1c(C(=O)OCCC[NH+]2CCN(C(C)C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000791811255 1077563524 /nfs/dbraw/zinc/56/35/24/1077563524.db2.gz LVSUEXMTPYNCAY-UHFFFAOYSA-N 1 1 408.455 2.693 20 5 HFBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000789829675 1077811987 /nfs/dbraw/zinc/81/19/87/1077811987.db2.gz SNNILQSPUGJVDX-UHFFFAOYSA-N 1 1 419.485 2.985 20 5 HFBDMO CCn1cc([C@H](O)C[N@H+](Cc2ccccc2)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cn1 ZINC000792378490 1077844236 /nfs/dbraw/zinc/84/42/36/1077844236.db2.gz PQLGSYNVRWYOPP-OAQYLSRUSA-N 1 1 423.473 2.646 20 5 HFBDMO CCn1cc([C@H](O)C[N@@H+](Cc2ccccc2)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cn1 ZINC000792378490 1077844241 /nfs/dbraw/zinc/84/42/41/1077844241.db2.gz PQLGSYNVRWYOPP-OAQYLSRUSA-N 1 1 423.473 2.646 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@H+]2CC[C@H](Oc3nc(C)cc(OC)n3)C2)c([N+](=O)[O-])c1 ZINC001170355626 1077949222 /nfs/dbraw/zinc/94/92/22/1077949222.db2.gz MXIRVWBXPVRFAK-PBHICJAKSA-N 1 1 402.451 2.795 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2C[C@@H]3COC[C@@H](CC(=O)NC(C)C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170341202 1077953188 /nfs/dbraw/zinc/95/31/88/1077953188.db2.gz OAGYOBKUJIRDKU-MMTROXRISA-N 1 1 419.522 2.644 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@H+]2CCC[C@H](OCC(=O)NC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170351379 1077956149 /nfs/dbraw/zinc/95/61/49/1077956149.db2.gz FPUFKAUCOCSYML-QAPCUYQASA-N 1 1 407.511 2.930 20 5 HFBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000746884904 1077965214 /nfs/dbraw/zinc/96/52/14/1077965214.db2.gz DLDKQWFOHKVQJL-DVOMOZLQSA-N 1 1 406.439 2.525 20 5 HFBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000746884904 1077965215 /nfs/dbraw/zinc/96/52/15/1077965215.db2.gz DLDKQWFOHKVQJL-DVOMOZLQSA-N 1 1 406.439 2.525 20 5 HFBDMO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)c1F ZINC000790327550 1077997625 /nfs/dbraw/zinc/99/76/25/1077997625.db2.gz XFQDUHMJUJXVAP-UHFFFAOYSA-N 1 1 414.437 2.611 20 5 HFBDMO COc1ncnc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)c1[N+](=O)[O-] ZINC001164692071 719808591 /nfs/dbraw/zinc/80/85/91/719808591.db2.gz FOXLULZWUGJLFN-UHFFFAOYSA-N 1 1 404.496 2.793 20 5 HFBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc([N+](=O)[O-])c(C)n1)CC2 ZINC001164710381 720152037 /nfs/dbraw/zinc/15/20/37/720152037.db2.gz AFIPUTLVAHACIB-SFHVURJKSA-N 1 1 412.494 2.596 20 5 HFBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc([N+](=O)[O-])c(OC(C)C)n1)C2 ZINC001164812994 720180008 /nfs/dbraw/zinc/18/00/08/720180008.db2.gz BHWGQXHRCSAEMM-LAUBAEHRSA-N 1 1 404.511 2.962 20 5 HFBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164839092 720518830 /nfs/dbraw/zinc/51/88/30/720518830.db2.gz SRDIZPVLGVSCBQ-BZUAXINKSA-N 1 1 419.917 2.921 20 5 HFBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164863575 720981149 /nfs/dbraw/zinc/98/11/49/720981149.db2.gz WSKYYNYDAWAFGU-AWEZNQCLSA-N 1 1 416.482 2.784 20 5 HFBDMO CC(C)Oc1nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164878330 721159803 /nfs/dbraw/zinc/15/98/03/721159803.db2.gz PSRWRTBMNWQGHT-ZWKOTPCHSA-N 1 1 413.478 2.652 20 5 HFBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncc([N+](=O)[O-])cc3F)C2)C1 ZINC001164779099 721344730 /nfs/dbraw/zinc/34/47/30/721344730.db2.gz QXHSQRJQBSKVLM-HXUWFJFHSA-N 1 1 419.457 2.853 20 5 HFBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncc([N+](=O)[O-])cc3F)C2)C1 ZINC001164779099 721344732 /nfs/dbraw/zinc/34/47/32/721344732.db2.gz QXHSQRJQBSKVLM-HXUWFJFHSA-N 1 1 419.457 2.853 20 5 HFBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164891913 721402402 /nfs/dbraw/zinc/40/24/02/721402402.db2.gz WNTWBZGXAPWUPM-OXJNMPFZSA-N 1 1 423.945 2.717 20 5 HFBDMO Cc1nc(Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1[N+](=O)[O-] ZINC001164794344 721527684 /nfs/dbraw/zinc/52/76/84/721527684.db2.gz BZHHVQYTPRSWEI-VYDXJSESSA-N 1 1 418.885 2.610 20 5 HFBDMO Cc1nc(Cl)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1[N+](=O)[O-] ZINC001164794344 721527688 /nfs/dbraw/zinc/52/76/88/721527688.db2.gz BZHHVQYTPRSWEI-VYDXJSESSA-N 1 1 418.885 2.610 20 5 HFBDMO COc1cc(C)nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164903354 721530392 /nfs/dbraw/zinc/53/03/92/721530392.db2.gz CDJWCKMTSKFNEE-NVXWUHKLSA-N 1 1 402.426 2.788 20 5 HFBDMO CCOc1nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164902599 721545795 /nfs/dbraw/zinc/54/57/95/721545795.db2.gz AKZAZHZWEUYWKD-DOTOQJQBSA-N 1 1 402.426 2.870 20 5 HFBDMO CCc1cc(N2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164935521 721883275 /nfs/dbraw/zinc/88/32/75/721883275.db2.gz XIFLCKJBSWRYNK-PMACEKPBSA-N 1 1 410.522 2.829 20 5 HFBDMO CCc1cc(N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164935521 721883277 /nfs/dbraw/zinc/88/32/77/721883277.db2.gz XIFLCKJBSWRYNK-PMACEKPBSA-N 1 1 410.522 2.829 20 5 HFBDMO O=[N+]([O-])c1cccc2ncnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164973938 722152796 /nfs/dbraw/zinc/15/27/96/722152796.db2.gz NOOVZROTYPFFQQ-FXAWDEMLSA-N 1 1 420.473 2.660 20 5 HFBDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000790498919 1078043922 /nfs/dbraw/zinc/04/39/22/1078043922.db2.gz VPQTWOSXQWJWDX-RYUDHWBXSA-N 1 1 401.866 2.934 20 5 HFBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000793045729 1078054929 /nfs/dbraw/zinc/05/49/29/1078054929.db2.gz CBXPZNHWKXKSKK-RHSMWYFYSA-N 1 1 402.495 2.774 20 5 HFBDMO CC[N@@H+](CCNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C1CC1 ZINC000790712592 1078104880 /nfs/dbraw/zinc/10/48/80/1078104880.db2.gz SAVLZWSLNIVNAT-UHFFFAOYSA-N 1 1 411.300 2.909 20 5 HFBDMO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](c2ccccc2)[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000790819958 1078155164 /nfs/dbraw/zinc/15/51/64/1078155164.db2.gz NNOAWCGAJTZSRE-MRXNPFEDSA-N 1 1 422.463 2.701 20 5 HFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC001170435599 1078213808 /nfs/dbraw/zinc/21/38/08/1078213808.db2.gz RDAJYTCYUIZRAV-BEFAXECRSA-N 1 1 413.478 2.552 20 5 HFBDMO COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)n1 ZINC000804399904 1078463857 /nfs/dbraw/zinc/46/38/57/1078463857.db2.gz KHZAHLUGMCSCCW-UHFFFAOYSA-N 1 1 405.842 2.925 20 5 HFBDMO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNc3c([N+](=O)[O-])cccc3[N+](=O)[O-])c2)C1 ZINC000804442138 1078506487 /nfs/dbraw/zinc/50/64/87/1078506487.db2.gz OAZZETYQGJXOMJ-INIZCTEOSA-N 1 1 413.434 2.812 20 5 HFBDMO Cc1cc(C(=O)N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000804446566 1078513268 /nfs/dbraw/zinc/51/32/68/1078513268.db2.gz KLJSBYMCBOMWGV-LJQANCHMSA-N 1 1 423.517 2.518 20 5 HFBDMO Cc1ccc(N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c([N+](=O)[O-])c1Br ZINC000804567793 1078604425 /nfs/dbraw/zinc/60/44/25/1078604425.db2.gz YMEUDPNLACLOSX-CQSZACIVSA-N 1 1 411.300 2.584 20 5 HFBDMO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)CC1 ZINC000804833572 1078673929 /nfs/dbraw/zinc/67/39/29/1078673929.db2.gz APPDACKQHAOBCE-HNNXBMFYSA-N 1 1 416.482 2.603 20 5 HFBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000804868753 1078692201 /nfs/dbraw/zinc/69/22/01/1078692201.db2.gz CZKFVOQFSMWAHS-LJQANCHMSA-N 1 1 400.435 2.661 20 5 HFBDMO O=C(Nc1ccc([N+](=O)[O-])c(I)c1)N1CC[NH+](C2CC2)CC1 ZINC000787809325 1076965494 /nfs/dbraw/zinc/96/54/94/1076965494.db2.gz OHHZGZVMNRQUML-UHFFFAOYSA-N 1 1 416.219 2.511 20 5 HFBDMO CCOC(=O)[C@H]1[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CCN1C(=O)OC(C)(C)C ZINC000788738900 1077286124 /nfs/dbraw/zinc/28/61/24/1077286124.db2.gz MCQMDHHPLJUOLG-NVXWUHKLSA-N 1 1 423.466 2.634 20 5 HFBDMO C[N@@H+](CC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)[C@@H]1CCSC1 ZINC000791243761 1077357032 /nfs/dbraw/zinc/35/70/32/1077357032.db2.gz DUKDCCUGPUTJFO-LLVKDONJSA-N 1 1 414.325 2.679 20 5 HFBDMO COC(=O)COc1ccc(C[NH2+]CC(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000788969267 1077366245 /nfs/dbraw/zinc/36/62/45/1077366245.db2.gz VNIRKSDERUUBMY-UHFFFAOYSA-N 1 1 407.810 2.528 20 5 HFBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C1([NH+]2CCOCC2)CCCC1 ZINC000791374946 1077385908 /nfs/dbraw/zinc/38/59/08/1077385908.db2.gz WBRBPOKNZOJHEJ-AWEZNQCLSA-N 1 1 408.474 2.563 20 5 HFBDMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000791828921 1077576942 /nfs/dbraw/zinc/57/69/42/1077576942.db2.gz RATXRZXLHCZQKM-IBGZPJMESA-N 1 1 424.501 2.683 20 5 HFBDMO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792578955 1077915524 /nfs/dbraw/zinc/91/55/24/1077915524.db2.gz RPSQUCMUEGFZFE-IYBDPMFKSA-N 1 1 409.471 2.804 20 5 HFBDMO Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000790020308 1077916263 /nfs/dbraw/zinc/91/62/63/1077916263.db2.gz KWRITDBOVBFTSV-LBPRGKRZSA-N 1 1 418.313 2.523 20 5 HFBDMO Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000790020308 1077916265 /nfs/dbraw/zinc/91/62/65/1077916265.db2.gz KWRITDBOVBFTSV-LBPRGKRZSA-N 1 1 418.313 2.523 20 5 HFBDMO CCOC[C@@H]1C[N@@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])Cc2nnn(CC)c21 ZINC001170338416 1077952007 /nfs/dbraw/zinc/95/20/07/1077952007.db2.gz AKUIZEROMFERDH-HOCLYGCPSA-N 1 1 403.483 2.782 20 5 HFBDMO CCOC[C@@H]1C[N@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])Cc2nnn(CC)c21 ZINC001170338416 1077952009 /nfs/dbraw/zinc/95/20/09/1077952009.db2.gz AKUIZEROMFERDH-HOCLYGCPSA-N 1 1 403.483 2.782 20 5 HFBDMO COc1ccc(C[C@H](C)[NH+]2CC3(C2)CCN(C(=O)c2cccnc2)C3)c([N+](=O)[O-])c1 ZINC001170341310 1077953128 /nfs/dbraw/zinc/95/31/28/1077953128.db2.gz INHVVULNAROPNI-INIZCTEOSA-N 1 1 410.474 2.778 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)c([N+](=O)[O-])c1 ZINC001170340861 1077953175 /nfs/dbraw/zinc/95/31/75/1077953175.db2.gz GWVRXNAWBHWSRI-XWIAVFTESA-N 1 1 416.503 2.980 20 5 HFBDMO COCCN1CC[N@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])Cc2cccnc21 ZINC001170341522 1077953426 /nfs/dbraw/zinc/95/34/26/1077953426.db2.gz JUQPCUOEQXXISN-INIZCTEOSA-N 1 1 400.479 2.898 20 5 HFBDMO COCCN1CC[N@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])Cc2cccnc21 ZINC001170341523 1077953469 /nfs/dbraw/zinc/95/34/69/1077953469.db2.gz JUQPCUOEQXXISN-MRXNPFEDSA-N 1 1 400.479 2.898 20 5 HFBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@H]3O[C@H](C(=O)N4CCCC4)CC[C@H]32)c([N+](=O)[O-])c1 ZINC001170341952 1077953629 /nfs/dbraw/zinc/95/36/29/1077953629.db2.gz KYRGAWHRWCBLJJ-SKRQURTPSA-N 1 1 417.506 2.779 20 5 HFBDMO COc1ccc(C[C@@H](C)[N@H+]2CCC[C@@H](OCC(=O)NC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170351377 1077956126 /nfs/dbraw/zinc/95/61/26/1077956126.db2.gz FPUFKAUCOCSYML-CRAIPNDOSA-N 1 1 407.511 2.930 20 5 HFBDMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC001130589003 1079568471 /nfs/dbraw/zinc/56/84/71/1079568471.db2.gz CMMODFBVQPJFFX-GMTAPVOTSA-N 1 1 417.247 2.753 20 5 HFBDMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC001130589410 1079569657 /nfs/dbraw/zinc/56/96/57/1079569657.db2.gz IURYXIOEHOUBFC-GMTAPVOTSA-N 1 1 417.247 2.753 20 5 HFBDMO