smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc([N+](=O)[O-])ccc1CN(C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000619531349 1125609262 /nfs/dbraw/zinc/60/92/62/1125609262.db2.gz QXDJHPDPOREKCC-RXVVDRJESA-N 0 3 370.449 4.203 20 5 FIBDHN CCc1nc(C)c([C@@H](C)N(C)CCCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000610215084 1079976510 /nfs/dbraw/zinc/97/65/10/1079976510.db2.gz LVBUODQOZMELMY-CQSZACIVSA-N 0 3 363.483 4.384 20 5 FIBDHN COc1cc([N+](=O)[O-])ccc1CN(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000430222993 1080016425 /nfs/dbraw/zinc/01/64/25/1080016425.db2.gz VORPZRCIKYEFSH-YLJYHZDGSA-N 0 3 374.412 4.095 20 5 FIBDHN COc1cc([N+](=O)[O-])ccc1CN(Cc1ccccc1)CC1CCOCC1 ZINC000430230590 1080036798 /nfs/dbraw/zinc/03/67/98/1080036798.db2.gz ABWBPQXDMBKLCH-UHFFFAOYSA-N 0 3 370.449 4.032 20 5 FIBDHN C[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1n1ccnc1 ZINC000246909968 1080543731 /nfs/dbraw/zinc/54/37/31/1080543731.db2.gz UPUHRQYIASSOMS-DNVCBOLYSA-N 0 3 366.421 4.134 20 5 FIBDHN C[C@H]1[C@H](c2ccccc2)CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000177533127 1081226841 /nfs/dbraw/zinc/22/68/41/1081226841.db2.gz IBJIODAFLRSHSQ-KBXCAEBGSA-N 0 3 364.405 4.023 20 5 FIBDHN C[C@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1n1ccnc1 ZINC000247262717 1081931300 /nfs/dbraw/zinc/93/13/00/1081931300.db2.gz XRZSJRUOAFZTHR-HNAYVOBHSA-N 0 3 366.421 4.134 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN([C@H](C)c1ccco1)C1CC1 ZINC000119122327 1081961643 /nfs/dbraw/zinc/96/16/43/1081961643.db2.gz AQJSAUYTIHENIY-CQSZACIVSA-N 0 3 357.410 4.050 20 5 FIBDHN COc1ccc(CN[C@@H]2CCCc3ccc(SC)cc32)cc1[N+](=O)[O-] ZINC000580834322 1082178512 /nfs/dbraw/zinc/17/85/12/1082178512.db2.gz NTCWBAWSCZSFHM-QGZVFWFLSA-N 0 3 358.463 4.493 20 5 FIBDHN CCC[C@H](NCc1ccc(-n2cccn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178090198 1082731676 /nfs/dbraw/zinc/73/16/76/1082731676.db2.gz YMYWRJFZJSNXNR-FQEVSTJZSA-N 0 3 350.422 4.412 20 5 FIBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCS[C@@H]4CCCC[C@@H]43)o2)c1 ZINC000610619587 1083265305 /nfs/dbraw/zinc/26/53/05/1083265305.db2.gz HHJYRIRJLXNVRP-FUHWJXTLSA-N 0 3 373.478 4.152 20 5 FIBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCS[C@H]4CCCC[C@@H]43)o2)c1 ZINC000610619589 1083265358 /nfs/dbraw/zinc/26/53/58/1083265358.db2.gz HHJYRIRJLXNVRP-WMZOPIPTSA-N 0 3 373.478 4.152 20 5 FIBDHN O=[N+]([O-])c1ccc(Oc2ccc(CNC3CSC3)cc2F)c(Cl)c1 ZINC000611564166 1084219280 /nfs/dbraw/zinc/21/92/80/1084219280.db2.gz VASLGLOVNYTILJ-UHFFFAOYSA-N 0 3 368.817 4.385 20 5 FIBDHN CCC[C@@H](NCc1ccc(Cn2cccn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178504201 1084262282 /nfs/dbraw/zinc/26/22/82/1084262282.db2.gz OUGWSJJZCQAKIN-OAQYLSRUSA-N 0 3 364.449 4.471 20 5 FIBDHN Cc1c([C@H](C)NCCOc2ncccc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000539052521 1084290433 /nfs/dbraw/zinc/29/04/33/1084290433.db2.gz IVSIAWXADXWIIB-LBPRGKRZSA-N 0 3 369.343 4.047 20 5 FIBDHN CC(C)(C)OCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000539497941 1084576230 /nfs/dbraw/zinc/57/62/30/1084576230.db2.gz MVRCJOPEWZSJCT-UHFFFAOYSA-N 0 3 352.818 4.413 20 5 FIBDHN O=[N+]([O-])c1cccc(-c2nc(CNCCC[C@H]3CCCCO3)cs2)c1 ZINC000186284690 1085063160 /nfs/dbraw/zinc/06/31/60/1085063160.db2.gz OUKPEOXSHUJEDK-QGZVFWFLSA-N 0 3 361.467 4.157 20 5 FIBDHN CC[C@H](N[C@H]1CCc2cc(OC)c(OC)cc21)c1cccc([N+](=O)[O-])c1 ZINC000479071340 1085076500 /nfs/dbraw/zinc/07/65/00/1085076500.db2.gz RCXXPPKMRQVDAN-ROUUACIJSA-N 0 3 356.422 4.340 20 5 FIBDHN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC000111040877 1085147676 /nfs/dbraw/zinc/14/76/76/1085147676.db2.gz XGIYMEOCCSQGLG-UHFFFAOYSA-N 0 3 368.412 4.189 20 5 FIBDHN C[C@@H](N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178645397 1085555837 /nfs/dbraw/zinc/55/58/37/1085555837.db2.gz QBVDWKOFMTVAMY-UONOGXRCSA-N 0 3 368.437 4.291 20 5 FIBDHN O=[N+]([O-])c1cnn(CCN2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000472252737 1085616681 /nfs/dbraw/zinc/61/66/81/1085616681.db2.gz WHYPTTKRFOHNKG-MRXNPFEDSA-N 0 3 368.359 4.037 20 5 FIBDHN C[C@H](N[C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1c(F)cncc1F ZINC000583515702 1086761446 /nfs/dbraw/zinc/76/14/46/1086761446.db2.gz PSQXFPLLBBYCEZ-DCGLDWPTSA-N 0 3 361.392 4.330 20 5 FIBDHN CCn1nc(C)c(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1C ZINC000066995414 1086804540 /nfs/dbraw/zinc/80/45/40/1086804540.db2.gz ICINSCTYNTZDPT-UHFFFAOYSA-N 0 3 370.478 4.446 20 5 FIBDHN CC[C@@H](NCc1cccc(OCC(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000180529053 1087950039 /nfs/dbraw/zinc/95/00/39/1087950039.db2.gz SQKOHSXJCHAVSV-QGZVFWFLSA-N 0 3 350.365 4.480 20 5 FIBDHN COC[C@H](N[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000513824950 1088452292 /nfs/dbraw/zinc/45/22/92/1088452292.db2.gz SWVKXLSRMQWSKD-NXHRZFHOSA-N 0 3 358.438 4.185 20 5 FIBDHN Cc1ccc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c(CN(C)C)c1 ZINC000505656507 1089514746 /nfs/dbraw/zinc/51/47/46/1089514746.db2.gz KZHIVFSREGOVES-AWEZNQCLSA-N 0 3 373.478 4.084 20 5 FIBDHN COCCOc1ccc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417322044 1090814923 /nfs/dbraw/zinc/81/49/23/1090814923.db2.gz MKPJNWVSBAMBIZ-OAQYLSRUSA-N 0 3 370.449 4.177 20 5 FIBDHN Cn1cc(CNCc2coc3ccccc23)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000549830155 1092856741 /nfs/dbraw/zinc/85/67/41/1092856741.db2.gz QFNUIKUAMUHLCK-UHFFFAOYSA-N 0 3 362.389 4.031 20 5 FIBDHN CN(CCSc1cc(C(F)(F)F)ncc1[N+](=O)[O-])Cc1ccccc1 ZINC000432928413 1092963696 /nfs/dbraw/zinc/96/36/96/1092963696.db2.gz RQZANVKXMNEQSU-UHFFFAOYSA-N 0 3 371.384 4.233 20 5 FIBDHN CC(C)C1CCC(N(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000433137573 1093318858 /nfs/dbraw/zinc/31/88/58/1093318858.db2.gz OWOKIZBATUHGAB-UHFFFAOYSA-N 0 3 358.442 4.291 20 5 FIBDHN CCC[C@@H](NCc1ccccc1-n1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000128925315 1093524647 /nfs/dbraw/zinc/52/46/47/1093524647.db2.gz JEJFODPBNLIZFO-LJQANCHMSA-N 0 3 350.422 4.412 20 5 FIBDHN C[C@@H](CNc1ccc([N+](=O)[O-])c2cnccc12)N1CCc2sccc2C1 ZINC000025500404 1094326667 /nfs/dbraw/zinc/32/66/67/1094326667.db2.gz BDQIUUXRZFAOJF-ZDUSSCGKSA-N 0 3 368.462 4.063 20 5 FIBDHN Cc1c(NC(=O)[C@@H](C)N[C@@H](c2ccc(F)cc2)C(C)C)cccc1[N+](=O)[O-] ZINC000502487079 1095498616 /nfs/dbraw/zinc/49/86/16/1095498616.db2.gz SWBFBDJLIDHUJT-AUUYWEPGSA-N 0 3 373.428 4.356 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCOc1ncccc1C(F)(F)F ZINC000536840195 1100352276 /nfs/dbraw/zinc/35/22/76/1100352276.db2.gz NWYABYRCUCYRLG-GFCCVEGCSA-N 0 3 369.343 4.047 20 5 FIBDHN COCCSc1ccc([C@@H](C)NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000537103680 1101451424 /nfs/dbraw/zinc/45/14/24/1101451424.db2.gz LOYKMOGXCPNLTI-OAHLLOKOSA-N 0 3 360.479 4.493 20 5 FIBDHN COCCSc1ccc([C@H](C)NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000537103679 1101451829 /nfs/dbraw/zinc/45/18/29/1101451829.db2.gz LOYKMOGXCPNLTI-HNNXBMFYSA-N 0 3 360.479 4.493 20 5 FIBDHN Cc1ccc([C@@H](CNc2ccc3ncccc3c2[N+](=O)[O-])N2CCCC2)o1 ZINC000506793182 1102123992 /nfs/dbraw/zinc/12/39/92/1102123992.db2.gz BEYKKHXTJUQKKT-GOSISDBHSA-N 0 3 366.421 4.293 20 5 FIBDHN Cc1ccc([C@H](CNc2ccc3ncccc3c2[N+](=O)[O-])N2CCCC2)o1 ZINC000506793183 1102125479 /nfs/dbraw/zinc/12/54/79/1102125479.db2.gz BEYKKHXTJUQKKT-SFHVURJKSA-N 0 3 366.421 4.293 20 5 FIBDHN C[C@@H](COc1ccccc1C(F)(F)F)NCc1cccc([N+](=O)[O-])c1 ZINC000520944676 1102144330 /nfs/dbraw/zinc/14/43/30/1102144330.db2.gz FKBCKAFSWCHTLN-LBPRGKRZSA-N 0 3 354.328 4.171 20 5 FIBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)C[C@@H](C)c1ccccc1 ZINC000532516304 1102448845 /nfs/dbraw/zinc/44/88/45/1102448845.db2.gz QZGNBCXYGIUYSK-HUUCEWRRSA-N 0 3 366.421 4.441 20 5 FIBDHN Cc1c([C@@H](C)NCc2cccc(OCC(F)F)c2)cccc1[N+](=O)[O-] ZINC000089543287 1102987743 /nfs/dbraw/zinc/98/77/43/1102987743.db2.gz VEBIIXFUVCYIBP-CYBMUJFWSA-N 0 3 350.365 4.398 20 5 FIBDHN COc1cc(C)c(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1OC ZINC000507118891 1103127196 /nfs/dbraw/zinc/12/71/96/1103127196.db2.gz FMRNGCLWSVWVHZ-UHFFFAOYSA-N 0 3 358.438 4.331 20 5 FIBDHN Cn1nccc1-c1ccccc1CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000507242788 1103237656 /nfs/dbraw/zinc/23/76/56/1103237656.db2.gz HNTZPTIVJFTRMW-UHFFFAOYSA-N 0 3 362.433 4.160 20 5 FIBDHN Cc1cc([C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C2CC2)ccc1F ZINC000538319610 1104134642 /nfs/dbraw/zinc/13/46/42/1104134642.db2.gz CNBRVUJUTUBKMU-FQEVSTJZSA-N 0 3 371.412 4.030 20 5 FIBDHN CN(C)C[C@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000579251586 1104331036 /nfs/dbraw/zinc/33/10/36/1104331036.db2.gz BRFHVIJNDITIEL-MSOLQXFVSA-N 0 3 359.857 4.128 20 5 FIBDHN CCCN(CCc1cccs1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000184512394 1104502475 /nfs/dbraw/zinc/50/24/75/1104502475.db2.gz YXOLUEVWBWHCJX-UHFFFAOYSA-N 0 3 372.450 4.161 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H](c1c(F)cccc1F)N(C)C ZINC000532222259 1108720699 /nfs/dbraw/zinc/72/06/99/1108720699.db2.gz HCQBABULQQCXAR-FZKQIMNGSA-N 0 3 363.408 4.135 20 5 FIBDHN CC1(C)CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1c1ccccc1 ZINC000441076136 1109311360 /nfs/dbraw/zinc/31/13/60/1109311360.db2.gz XLIJQQARLAGFHO-INIZCTEOSA-N 0 3 351.406 4.362 20 5 FIBDHN COc1cc(CN2[C@@H](C)C[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000527238476 1109719732 /nfs/dbraw/zinc/71/97/32/1109719732.db2.gz DDXZTCJIRDDZNU-GJZGRUSLSA-N 0 3 356.422 4.165 20 5 FIBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](C)c1ccccc1Cl ZINC000237497328 1109996687 /nfs/dbraw/zinc/99/66/87/1109996687.db2.gz FYGZNXAXERHTDP-CHWSQXEVSA-N 0 3 361.829 4.316 20 5 FIBDHN CCn1c2ccccc2nc1[C@@H](C)N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449223402 1110001538 /nfs/dbraw/zinc/00/15/38/1110001538.db2.gz JNQNISKZXWYECM-HUUCEWRRSA-N 0 3 352.438 4.246 20 5 FIBDHN CCn1c2ccccc2nc1[C@H](C)N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449223400 1110001703 /nfs/dbraw/zinc/00/17/03/1110001703.db2.gz JNQNISKZXWYECM-CABCVRRESA-N 0 3 352.438 4.246 20 5 FIBDHN CCn1c2ccccc2nc1[C@@H](C)N[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449223403 1110001844 /nfs/dbraw/zinc/00/18/44/1110001844.db2.gz JNQNISKZXWYECM-LSDHHAIUSA-N 0 3 352.438 4.246 20 5 FIBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1nc2ccccc2n1C1CC1 ZINC000449243087 1110010746 /nfs/dbraw/zinc/01/07/46/1110010746.db2.gz ICVSOVJEKNHGRG-AWEZNQCLSA-N 0 3 350.422 4.000 20 5 FIBDHN CN(C)[C@@H]1CCOc2c(Nc3nccc4c3cccc4[N+](=O)[O-])cccc21 ZINC000450491977 1110305825 /nfs/dbraw/zinc/30/58/25/1110305825.db2.gz QXVDBDWVTYQOML-QGZVFWFLSA-N 0 3 364.405 4.272 20 5 FIBDHN CC[C@@H](N[C@@H](CN1CCCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000480278555 1112370477 /nfs/dbraw/zinc/37/04/77/1112370477.db2.gz PAHYEOBISPWQIK-RTWAWAEBSA-N 0 3 353.466 4.473 20 5 FIBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](CC1CCC1)c1ccccc1 ZINC000481257028 1112828658 /nfs/dbraw/zinc/82/86/58/1112828658.db2.gz MXAWYDRKTLWXCZ-GOSISDBHSA-N 0 3 367.449 4.363 20 5 FIBDHN COc1cc(C[NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)c([N+](=O)[O-])cc1[O-] ZINC000486863021 1113662788 /nfs/dbraw/zinc/66/27/88/1113662788.db2.gz BRQFUEXOBWBGOF-WBVHZDCISA-N 0 3 356.422 4.125 20 5 FIBDHN COc1cc(C[NH2+][C@H]2CCC[C@H](c3ccccc3)C2)c([N+](=O)[O-])cc1[O-] ZINC000486863020 1113663012 /nfs/dbraw/zinc/66/30/12/1113663012.db2.gz BRQFUEXOBWBGOF-RDJZCZTQSA-N 0 3 356.422 4.125 20 5 FIBDHN Cc1ccc([C@H]2C[C@@H](C)N(Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)cc1 ZINC000490077283 1114214219 /nfs/dbraw/zinc/21/42/19/1114214219.db2.gz DIOOLVVACPLTBJ-ZBFHGGJFSA-N 0 3 351.406 4.422 20 5 FIBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1cccc(OCC(F)F)c1)CCC2 ZINC000192980480 1114501583 /nfs/dbraw/zinc/50/15/83/1114501583.db2.gz CFFIIYMPROOIMN-GOSISDBHSA-N 0 3 362.376 4.406 20 5 FIBDHN Cc1nccn1-c1ccc([C@@H](C)N[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000594496644 1115449893 /nfs/dbraw/zinc/44/98/93/1115449893.db2.gz QEIZNYIRCLSUSF-JLTOFOAXSA-N 0 3 362.433 4.427 20 5 FIBDHN CCCN(C(=O)C(C[C@@H]1CCCO1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000593145808 1115574288 /nfs/dbraw/zinc/57/42/88/1115574288.db2.gz GHEYHTWEHPESPR-GJZGRUSLSA-N 0 3 374.359 4.085 20 5 FIBDHN Cc1cc(NC2CC(N3CCC(C(F)(F)F)CC3)C2)c([N+](=O)[O-])s1 ZINC000596224651 1115579182 /nfs/dbraw/zinc/57/91/82/1115579182.db2.gz YAQOKEANAOSMEF-UHFFFAOYSA-N 0 3 363.405 4.182 20 5 FIBDHN C[C@H](O)C1(NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000597234724 1115650028 /nfs/dbraw/zinc/65/00/28/1115650028.db2.gz PFRRYGCSJPXJRU-LBPRGKRZSA-N 0 3 362.813 4.044 20 5 FIBDHN COc1ccc([C@@H](N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C2CC2)cn1 ZINC000599095516 1115788790 /nfs/dbraw/zinc/78/87/90/1115788790.db2.gz GALVYHCPGFRDBG-ICSRJNTNSA-N 0 3 367.449 4.462 20 5 FIBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@@H]3CC3CCCC3)o2)cc1 ZINC000594052353 1115979513 /nfs/dbraw/zinc/97/95/13/1115979513.db2.gz FBZMMIHLLUYOCJ-QGZVFWFLSA-N 0 3 356.426 4.190 20 5 FIBDHN Cc1cc(CN(C)C)cc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000533972486 1116098243 /nfs/dbraw/zinc/09/82/43/1116098243.db2.gz GAMXTDCGHLAYRH-CQSZACIVSA-N 0 3 373.478 4.084 20 5 FIBDHN COc1ccc(-c2ccc(CNCCOc3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000608835549 1116131030 /nfs/dbraw/zinc/13/10/30/1116131030.db2.gz WJACYAWRBWVLEJ-UHFFFAOYSA-N 0 3 368.389 4.032 20 5 FIBDHN O=[N+]([O-])c1cc(CN2CCCC[C@H]2Cc2ccccc2)c2c(c1)COCO2 ZINC000608909324 1116134916 /nfs/dbraw/zinc/13/49/16/1116134916.db2.gz NHVMLYXGGCQSBF-IBGZPJMESA-N 0 3 368.433 4.059 20 5 FIBDHN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000540119901 1117883968 /nfs/dbraw/zinc/88/39/68/1117883968.db2.gz TZKZPNSQSYNGFA-CHWSQXEVSA-N 0 3 353.422 4.236 20 5 FIBDHN COCCCOc1cccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000193041732 1118891131 /nfs/dbraw/zinc/89/11/31/1118891131.db2.gz GVOBQCDJIGYCLK-OAQYLSRUSA-N 0 3 370.449 4.177 20 5 FIBDHN CC(C)c1nnc(CCNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)s1 ZINC000492275269 1119062689 /nfs/dbraw/zinc/06/26/89/1119062689.db2.gz NKZWNNXSKUZUNK-UHFFFAOYSA-N 0 3 372.450 4.162 20 5 FIBDHN CCOc1cc(CN[C@@H](C)c2ccc(-n3cccn3)cc2)ccc1[N+](=O)[O-] ZINC000492611073 1119145988 /nfs/dbraw/zinc/14/59/88/1119145988.db2.gz YZZPVEOQZLQLMK-HNNXBMFYSA-N 0 3 366.421 4.030 20 5 FIBDHN COc1cc(CN[C@H](C)c2cccc(N3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000492756593 1119185067 /nfs/dbraw/zinc/18/50/67/1119185067.db2.gz JZOLHLUOSYLVOS-OAHLLOKOSA-N 0 3 355.438 4.054 20 5 FIBDHN O=[N+]([O-])c1c(N[C@H]2CCCN(Cc3ccccc3)C2)ccc2ncccc21 ZINC000312139539 1119406643 /nfs/dbraw/zinc/40/66/43/1119406643.db2.gz VPKRJIYDHOPPOK-KRWDZBQOSA-N 0 3 362.433 4.220 20 5 FIBDHN O=[N+]([O-])c1ccc(CNC[C@H](c2ccco2)N2CCCCC2)cc1Cl ZINC000761520347 1119409432 /nfs/dbraw/zinc/40/94/32/1119409432.db2.gz BQNIMBOIOCFTAC-QGZVFWFLSA-N 0 3 363.845 4.158 20 5 FIBDHN COc1cc(NC[C@@H](c2cccs2)N2CCCC2)c([N+](=O)[O-])cc1F ZINC000301608949 1122251496 /nfs/dbraw/zinc/25/14/96/1122251496.db2.gz AMAZCDVKABZOKF-HNNXBMFYSA-N 0 3 365.430 4.053 20 5 FIBDHN C[C@H](C1CC1)N(Cc1ccccc1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000917437969 1122303994 /nfs/dbraw/zinc/30/39/94/1122303994.db2.gz QJKYQUMRZDTDIT-OAHLLOKOSA-N 0 3 350.422 4.203 20 5 FIBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](Nc1ccccc1)C(C)C ZINC000609287344 1122816801 /nfs/dbraw/zinc/81/68/01/1122816801.db2.gz FDJBOCQORIROOB-LJQANCHMSA-N 0 3 357.454 4.220 20 5 FIBDHN CC1CCC(OC2CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000609386550 1123699067 /nfs/dbraw/zinc/69/90/67/1123699067.db2.gz GZKYSGCAXOKCPV-UHFFFAOYSA-N 0 3 362.470 4.033 20 5 FIBDHN COc1ccccc1CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113313265 1125149273 /nfs/dbraw/zinc/14/92/73/1125149273.db2.gz YXAAFIIOJFXVPQ-UHFFFAOYSA-N 0 3 369.446 4.059 20 5 FIBDHN Cc1ccc([C@H](C)N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000182163661 1125269911 /nfs/dbraw/zinc/26/99/11/1125269911.db2.gz LIHFXQFIHKUBMH-OEPMTFCVSA-N 0 3 362.376 4.362 20 5 FIBDHN CN1CCC[C@@H](CNc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1c1cccs1 ZINC000301793445 1125299051 /nfs/dbraw/zinc/29/90/51/1125299051.db2.gz PCVPSFMGSSLPIX-APPDUMDISA-N 0 3 367.421 4.430 20 5 FIBDHN COc1ncc([C@@H](C)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1Cl ZINC000568775803 568206859 /nfs/dbraw/zinc/20/68/59/568206859.db2.gz DMOROGQZWZMFDU-SNVBAGLBSA-N 0 3 370.236 4.199 20 5 FIBDHN CC[C@@H](C)N[C@H](CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)c1ccco1 ZINC000482050067 568239312 /nfs/dbraw/zinc/23/93/12/568239312.db2.gz OZNICYHPLIDITG-GDBMZVCRSA-N 0 3 374.441 4.056 20 5 FIBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000482071877 568253828 /nfs/dbraw/zinc/25/38/28/568253828.db2.gz HKRYCWBKFVWWPM-HNAYVOBHSA-N 0 3 370.453 4.025 20 5 FIBDHN COc1cc(CN[C@@H]2CC[C@@H](c3ccccc3)C[C@H]2OC)ccc1[N+](=O)[O-] ZINC000570650056 568493650 /nfs/dbraw/zinc/49/36/50/568493650.db2.gz SNIFSZNQHAFVRW-QWFCFKBJSA-N 0 3 370.449 4.044 20 5 FIBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000619722716 1125668696 /nfs/dbraw/zinc/66/86/96/1125668696.db2.gz UZGNKHJUQRPEIQ-CVEARBPZSA-N 0 3 354.454 4.068 20 5 FIBDHN CCc1nc(C)c([C@H](C)N(C)CCCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000610215083 1079975308 /nfs/dbraw/zinc/97/53/08/1079975308.db2.gz LVBUODQOZMELMY-AWEZNQCLSA-N 0 3 363.483 4.384 20 5 FIBDHN CN(C(=O)CN[C@@H](c1ccccc1)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000533384910 1080065052 /nfs/dbraw/zinc/06/50/52/1080065052.db2.gz POOVZKBYTUOVTR-NRFANRHFSA-N 0 3 367.449 4.079 20 5 FIBDHN CC[C@H](C)N[C@@H](CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)c1ccco1 ZINC000579878572 1082149789 /nfs/dbraw/zinc/14/97/89/1082149789.db2.gz PKUKECLQJFMLKZ-YOEHRIQHSA-N 0 3 373.453 4.170 20 5 FIBDHN CCCN(Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1C[C@H](OCC)C1(C)C ZINC001167446673 1082318944 /nfs/dbraw/zinc/31/89/44/1082318944.db2.gz BZYNZUXGVNVJMS-ROUUACIJSA-N 0 3 350.459 4.019 20 5 FIBDHN Cc1c([C@@H](C)N[C@H](C)c2ccc(N3CCCC3=O)cc2)cccc1[N+](=O)[O-] ZINC000156843265 1082345195 /nfs/dbraw/zinc/34/51/95/1082345195.db2.gz AJIYJWXGLNZXPY-HZPDHXFCSA-N 0 3 367.449 4.442 20 5 FIBDHN CCC[C@@H](N[C@H](C)c1ccc(-n2cncn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178324019 1083181385 /nfs/dbraw/zinc/18/13/85/1083181385.db2.gz KAQJTCIKWVIXDV-FOIQADDNSA-N 0 3 365.437 4.368 20 5 FIBDHN CC(C)COC1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000510620667 1083206052 /nfs/dbraw/zinc/20/60/52/1083206052.db2.gz YBAUPCXYNMAJGP-UHFFFAOYSA-N 0 3 358.438 4.492 20 5 FIBDHN CC[C@@H](N[C@@H](Cc1nccn1C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000610828238 1083744831 /nfs/dbraw/zinc/74/48/31/1083744831.db2.gz PLBITZWCAYJNTK-UXHICEINSA-N 0 3 364.449 4.353 20 5 FIBDHN Cc1c(NC(=O)CCN2CCC(C)=C(c3ccco3)C2)cccc1[N+](=O)[O-] ZINC000548930865 1083792732 /nfs/dbraw/zinc/79/27/32/1083792732.db2.gz UYUYDOAEKUQUPY-UHFFFAOYSA-N 0 3 369.421 4.004 20 5 FIBDHN Cc1cccc(NC(=O)C[C@H](C)NCc2cccc([N+](=O)[O-])c2C)c1C ZINC000478486432 1084954198 /nfs/dbraw/zinc/95/41/98/1084954198.db2.gz FUGHWXOBXRTTCH-AWEZNQCLSA-N 0 3 355.438 4.027 20 5 FIBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000452044522 1085052715 /nfs/dbraw/zinc/05/27/15/1085052715.db2.gz JCAXLKYKWSTQGN-SISWJWMXSA-N 0 3 368.437 4.074 20 5 FIBDHN CN1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2Cl)[C@@H]1c1cccs1 ZINC000078338212 1085713351 /nfs/dbraw/zinc/71/33/51/1085713351.db2.gz IPYMRDOBTIYYNS-IAQYHMDHSA-N 0 3 366.874 4.200 20 5 FIBDHN COc1cc(CN(C)C2CCCCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000585767585 1086695611 /nfs/dbraw/zinc/69/56/11/1086695611.db2.gz CWQMLFBWUDIHFR-UHFFFAOYSA-N 0 3 358.385 4.359 20 5 FIBDHN O=[N+]([O-])c1ccc(OCCN[C@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC001167846064 1086783607 /nfs/dbraw/zinc/78/36/07/1086783607.db2.gz YOGOWTRRNPBZJY-OAQYLSRUSA-N 0 3 366.392 4.492 20 5 FIBDHN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000181452205 1088606726 /nfs/dbraw/zinc/60/67/26/1088606726.db2.gz TWOMPGAMKWCOGG-XOKHGSTOSA-N 0 3 358.442 4.195 20 5 FIBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCC(c4ccncn4)CC3)o2)c1 ZINC000414470170 1088653739 /nfs/dbraw/zinc/65/37/39/1088653739.db2.gz LBKBJBITNKYJAF-UHFFFAOYSA-N 0 3 364.405 4.024 20 5 FIBDHN COc1cccc(F)c1[C@@H](C)NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000122529221 1089477721 /nfs/dbraw/zinc/47/77/21/1089477721.db2.gz MASZWZLRCGFHOV-CQSZACIVSA-N 0 3 373.428 4.062 20 5 FIBDHN CC(C)CC[C@H]1CCCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000472834889 1089699823 /nfs/dbraw/zinc/69/98/23/1089699823.db2.gz QFMNBKMGBREDFF-MRXNPFEDSA-N 0 3 358.442 4.436 20 5 FIBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccccc1-n1cccn1)CCCC2 ZINC000417310364 1090802153 /nfs/dbraw/zinc/80/21/53/1090802153.db2.gz LISWHNXVLFEFHZ-FQEVSTJZSA-N 0 3 362.433 4.338 20 5 FIBDHN CN(C)Cc1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 ZINC000047453420 1091730000 /nfs/dbraw/zinc/73/00/00/1091730000.db2.gz JHNSWURVCUCDLW-UHFFFAOYSA-N 0 3 355.419 4.123 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)CCc1nc(-c2ccccc2)no1 ZINC000512214155 1091919362 /nfs/dbraw/zinc/91/93/62/1091919362.db2.gz UWVCQKLRDMZPRG-HNNXBMFYSA-N 0 3 366.421 4.189 20 5 FIBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1C[C@H](c2ccc(OC)c(F)c2)C1 ZINC000500512183 1092167117 /nfs/dbraw/zinc/16/71/17/1092167117.db2.gz ISMIPNKWTQOHEY-KOMQPUFPSA-N 0 3 374.412 4.177 20 5 FIBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNCCOc2ccc(F)cc2)o1 ZINC000520951891 1092378133 /nfs/dbraw/zinc/37/81/33/1092378133.db2.gz STFIIQSFMLCHKA-UHFFFAOYSA-N 0 3 356.353 4.163 20 5 FIBDHN C[C@@H](CNc1ccc2ncccc2c1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000521402647 1092682644 /nfs/dbraw/zinc/68/26/44/1092682644.db2.gz BPGLYGRVWRJMEV-HNNXBMFYSA-N 0 3 362.433 4.002 20 5 FIBDHN CC1(C)C[C@@H](NCc2ccc(-n3cccn3)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000433134777 1093315816 /nfs/dbraw/zinc/31/58/16/1093315816.db2.gz LUXWDRDUZITOHA-HXUWFJFHSA-N 0 3 362.433 4.293 20 5 FIBDHN C[C@H](N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)OCO2 ZINC000433173448 1093372024 /nfs/dbraw/zinc/37/20/24/1093372024.db2.gz KEIKCDOLSRLFPG-SJCJKPOMSA-N 0 3 354.406 4.397 20 5 FIBDHN COCc1cc(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)ccc1F ZINC000433259858 1093503938 /nfs/dbraw/zinc/50/39/38/1093503938.db2.gz JWLLVMDCNQFXEQ-LJQANCHMSA-N 0 3 358.413 4.393 20 5 FIBDHN Cc1cc(CCNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)on1 ZINC000512983078 1093626427 /nfs/dbraw/zinc/62/64/27/1093626427.db2.gz LRVHNNJYSOCACL-UHFFFAOYSA-N 0 3 361.785 4.137 20 5 FIBDHN COc1ccc(CN2CCC[C@H](c3nc4ccccc4o3)C2)cc1[N+](=O)[O-] ZINC000052611835 1093836427 /nfs/dbraw/zinc/83/64/27/1093836427.db2.gz CKQXNXPFUJSKHV-HNNXBMFYSA-N 0 3 367.405 4.124 20 5 FIBDHN COc1cc(CN[C@@H]2CC[C@@H]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000513101299 1093847769 /nfs/dbraw/zinc/84/77/69/1093847769.db2.gz QFLLZWRWYSPQII-WMLDXEAASA-N 0 3 356.422 4.071 20 5 FIBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1cc2ccccc2o1 ZINC000182643078 1094157048 /nfs/dbraw/zinc/15/70/48/1094157048.db2.gz HOOLFLGQTVNESG-AWEZNQCLSA-N 0 3 367.405 4.329 20 5 FIBDHN CCOc1ccc([C@H](C)N[C@@H]2CCCc3cc(N)ccc32)cc1[N+](=O)[O-] ZINC000423358969 1096655801 /nfs/dbraw/zinc/65/58/01/1096655801.db2.gz UPSCBQHOUQVKEQ-SCLBCKFNSA-N 0 3 355.438 4.304 20 5 FIBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@H]1c2ccccc2CC12CCOCC2 ZINC000515432799 1098588761 /nfs/dbraw/zinc/58/87/61/1098588761.db2.gz JUPBOVNFWUHWAX-TZIWHRDSSA-N 0 3 364.445 4.266 20 5 FIBDHN C[C@@H](N[C@H](c1ccccc1)C1CCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000533045249 1098709316 /nfs/dbraw/zinc/70/93/16/1098709316.db2.gz AHDKRZUZPVVBBD-AUUYWEPGSA-N 0 3 353.422 4.053 20 5 FIBDHN CCN(CC)[C@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])c1ccco1 ZINC000436316560 1098922796 /nfs/dbraw/zinc/92/27/96/1098922796.db2.gz XWXDGPYYHZZJJL-CYBMUJFWSA-N 0 3 372.347 4.097 20 5 FIBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)c1ccncc1OC ZINC000437071911 1099590473 /nfs/dbraw/zinc/59/04/73/1099590473.db2.gz IZGUOVIVFRAJHZ-UONOGXRCSA-N 0 3 361.467 4.220 20 5 FIBDHN Cc1c(CN[C@@H](c2ccccc2)C2(CO)CCCC2)cccc1[N+](=O)[O-] ZINC000459533717 1100283970 /nfs/dbraw/zinc/28/39/70/1100283970.db2.gz PQTDGNUINSTMCW-FQEVSTJZSA-N 0 3 354.450 4.287 20 5 FIBDHN Cc1cccc([C@@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1C ZINC000537086656 1101453850 /nfs/dbraw/zinc/45/38/50/1101453850.db2.gz FQSGQUNKKLQOFN-HZPDHXFCSA-N 0 3 355.438 4.198 20 5 FIBDHN Cc1ccccc1[C@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000537291228 1101610200 /nfs/dbraw/zinc/61/02/00/1101610200.db2.gz OBSNTELPUDBOPS-MGPUTAFESA-N 0 3 367.449 4.280 20 5 FIBDHN CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccc(Cl)cc1 ZINC000506758273 1102025361 /nfs/dbraw/zinc/02/53/61/1102025361.db2.gz LBUYWZJFYUGESQ-UHFFFAOYSA-N 0 3 370.840 4.281 20 5 FIBDHN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)CN1Cc1ccccc1 ZINC001168192130 1102257088 /nfs/dbraw/zinc/25/70/88/1102257088.db2.gz IDSBPNXSXASJIP-HZPDHXFCSA-N 0 3 373.884 4.343 20 5 FIBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccc(Cn3cccn3)cc1)CCC2 ZINC000192630722 1102727067 /nfs/dbraw/zinc/72/70/67/1102727067.db2.gz JZQIFENLRBYVRR-NRFANRHFSA-N 0 3 362.433 4.007 20 5 FIBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccccc1Cn1cccn1)CCC2 ZINC000192625934 1102736297 /nfs/dbraw/zinc/73/62/97/1102736297.db2.gz ZGYZZTGOUZEMHY-OAQYLSRUSA-N 0 3 362.433 4.007 20 5 FIBDHN Cc1c(NC(=O)[C@@H](C)N[C@H](c2ccccc2)C2CCC2)cccc1[N+](=O)[O-] ZINC000532701768 1102997247 /nfs/dbraw/zinc/99/72/47/1102997247.db2.gz USJQNVAFLLGYEM-FOIQADDNSA-N 0 3 367.449 4.361 20 5 FIBDHN CC(C)N(Cc1cccs1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000507006742 1103028922 /nfs/dbraw/zinc/02/89/22/1103028922.db2.gz JOUIDVSIKQCTFT-UHFFFAOYSA-N 0 3 370.478 4.467 20 5 FIBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](c1ccccc1)C1CCCC1 ZINC000532716218 1103038707 /nfs/dbraw/zinc/03/87/07/1103038707.db2.gz QBYLCOUPELTXHK-NRFANRHFSA-N 0 3 367.449 4.363 20 5 FIBDHN CN(CCCc1cc(-c2ccccc2)no1)Cc1cccc([N+](=O)[O-])c1 ZINC000507196539 1103196284 /nfs/dbraw/zinc/19/62/84/1103196284.db2.gz NDBOZXMZMMBKPB-UHFFFAOYSA-N 0 3 351.406 4.314 20 5 FIBDHN O=[N+]([O-])c1ccccc1OCCNC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000477434471 1103512256 /nfs/dbraw/zinc/51/22/56/1103512256.db2.gz CYYLXGQZBTWEJD-UHFFFAOYSA-N 0 3 366.339 4.271 20 5 FIBDHN CN(C(=O)CNC1(c2ccccc2)CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000477634491 1103760617 /nfs/dbraw/zinc/76/06/17/1103760617.db2.gz JRDOYLCOLNQDCA-UHFFFAOYSA-N 0 3 367.449 4.007 20 5 FIBDHN CN(C)C[C@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000579251588 1104331387 /nfs/dbraw/zinc/33/13/87/1104331387.db2.gz BRFHVIJNDITIEL-ROUUACIJSA-N 0 3 359.857 4.128 20 5 FIBDHN C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000450958328 1106843298 /nfs/dbraw/zinc/84/32/98/1106843298.db2.gz MVSKJDFDIGYJGA-JLSDUUJJSA-N 0 3 352.862 4.154 20 5 FIBDHN CCC(=O)Nc1cccc(CNC/C(C)=C\c2cccc([N+](=O)[O-])c2)c1 ZINC000530326466 1106969471 /nfs/dbraw/zinc/96/94/71/1106969471.db2.gz QUNCAWCVXOFZBO-GDNBJRDFSA-N 0 3 353.422 4.136 20 5 FIBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](CC(C)(C)C)C1 ZINC000452078964 1107460613 /nfs/dbraw/zinc/46/06/13/1107460613.db2.gz MPQJEPUSCJAMJK-UONOGXRCSA-N 0 3 358.442 4.464 20 5 FIBDHN CSCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000237508922 1107547087 /nfs/dbraw/zinc/54/70/87/1107547087.db2.gz LKZGCTSJKZYBAV-UHFFFAOYSA-N 0 3 371.256 4.070 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](c1c(F)cccc1F)N(C)C ZINC000532222260 1108721890 /nfs/dbraw/zinc/72/18/90/1108721890.db2.gz HCQBABULQQCXAR-SCLBCKFNSA-N 0 3 363.408 4.135 20 5 FIBDHN CC1(C)[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]2CCCO[C@H]21 ZINC000525709615 1109488089 /nfs/dbraw/zinc/48/80/89/1109488089.db2.gz UKOMACRUWAGVLA-GVDBMIGSSA-N 0 3 373.478 4.012 20 5 FIBDHN C[C@H](N[C@@H](C)c1cc2ccccc2s1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000525951938 1109562320 /nfs/dbraw/zinc/56/23/20/1109562320.db2.gz SJXQEZBZFIAXAM-STQMWFEESA-N 0 3 369.446 4.487 20 5 FIBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2ccc(-c3ccccc3)o2)n1 ZINC000447564579 1109583506 /nfs/dbraw/zinc/58/35/06/1109583506.db2.gz XWRWELNJWJMSQA-ROUUACIJSA-N 0 3 366.421 4.325 20 5 FIBDHN O=[N+]([O-])c1ccc(CCCCNCc2nc(-c3ccccc3)c[nH]2)cc1 ZINC000447857799 1109660932 /nfs/dbraw/zinc/66/09/32/1109660932.db2.gz YYXBWJKICMUZNO-UHFFFAOYSA-N 0 3 350.422 4.097 20 5 FIBDHN COc1cc(F)c([C@@H](C)N[C@H](C)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000449142384 1109984399 /nfs/dbraw/zinc/98/43/99/1109984399.db2.gz NZTPDMRLMUOAOL-CHWSQXEVSA-N 0 3 362.401 4.033 20 5 FIBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@@H](c1cccs1)C1(CO)CCC1 ZINC000449771542 1110166091 /nfs/dbraw/zinc/16/60/91/1110166091.db2.gz YPLHRPWYJADCAS-BHSUKZTGSA-N 0 3 358.463 4.163 20 5 FIBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@@H](c1cccs1)C1(CO)CCC1 ZINC000449771562 1110166228 /nfs/dbraw/zinc/16/62/28/1110166228.db2.gz YPLHRPWYJADCAS-JGIVAVPZSA-N 0 3 358.463 4.163 20 5 FIBDHN C[C@H](O)C[C@@H]1CCCN1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000538727238 1111264640 /nfs/dbraw/zinc/26/46/40/1111264640.db2.gz BOIOMEAJFAEFDL-YOEHRIQHSA-N 0 3 374.412 4.262 20 5 FIBDHN CC1(CN[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000479416563 1112020217 /nfs/dbraw/zinc/02/02/17/1112020217.db2.gz NQSBPBBMTFTSKX-QGZVFWFLSA-N 0 3 373.840 4.318 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](CC1CCC1)c1ccccc1 ZINC000481286268 1112858625 /nfs/dbraw/zinc/85/86/25/1112858625.db2.gz OLTQEGIRDRDKLU-HXUWFJFHSA-N 0 3 367.449 4.363 20 5 FIBDHN CC1(C)CCC[C@H]1[C@@H]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000592153480 1115215927 /nfs/dbraw/zinc/21/59/27/1115215927.db2.gz DLFIUUOOFVGEJJ-WBVHZDCISA-N 0 3 370.453 4.293 20 5 FIBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](c1ccccc1)C1(CO)CC=CC1 ZINC000592527437 1115240939 /nfs/dbraw/zinc/24/09/39/1115240939.db2.gz GUGOUXDTHGTGJT-FQEVSTJZSA-N 0 3 352.434 4.063 20 5 FIBDHN Cc1ccc(CN[C@@H](c2ccccc2)C2(CO)CC=CC2)cc1[N+](=O)[O-] ZINC000592530814 1115241018 /nfs/dbraw/zinc/24/10/18/1115241018.db2.gz VKCJWFBTUHUWMK-FQEVSTJZSA-N 0 3 352.434 4.063 20 5 FIBDHN Cn1ncc(C2CC2)c1CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000594983646 1115505668 /nfs/dbraw/zinc/50/56/68/1115505668.db2.gz HKEHPIWWXMDQJW-UHFFFAOYSA-N 0 3 368.462 4.224 20 5 FIBDHN Cc1c(Cl)cccc1NC(=O)CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000575195317 1115547566 /nfs/dbraw/zinc/54/75/66/1115547566.db2.gz HCYUKRFRFQRLHG-KRWDZBQOSA-N 0 3 373.840 4.162 20 5 FIBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](C2CCC2)C1 ZINC000595838765 1115563946 /nfs/dbraw/zinc/56/39/46/1115563946.db2.gz WATDTMOTTAKMJM-BBRMVZONSA-N 0 3 356.426 4.218 20 5 FIBDHN CCCN(C(=O)C(C[C@H]1CCCO1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000593145807 1115574422 /nfs/dbraw/zinc/57/44/22/1115574422.db2.gz GHEYHTWEHPESPR-CABCVRRESA-N 0 3 374.359 4.085 20 5 FIBDHN O=[N+]([O-])c1cc(CN(CCCO)[C@@H]2CCc3ccccc32)ccc1Cl ZINC000761249155 1115702043 /nfs/dbraw/zinc/70/20/43/1115702043.db2.gz HLPSZYVWWXVMGT-GOSISDBHSA-N 0 3 360.841 4.120 20 5 FIBDHN CCOc1ccc([C@@H](C)NC[C@H](OC)c2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000599054595 1115786162 /nfs/dbraw/zinc/78/61/62/1115786162.db2.gz CHOMWDXTUUVHHY-VLIAUNLRSA-N 0 3 374.437 4.040 20 5 FIBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H](O)c3ccccc3)o2)c(Cl)c1 ZINC000171048808 1115825833 /nfs/dbraw/zinc/82/58/33/1115825833.db2.gz ITXLIMYXSFAGEN-GOSISDBHSA-N 0 3 372.808 4.331 20 5 FIBDHN CCN(CC)[C@@H](CNCc1ccc(C(C)C)c([N+](=O)[O-])c1)c1ccco1 ZINC000604532595 1115869302 /nfs/dbraw/zinc/86/93/02/1115869302.db2.gz AFPNGXDOUGPWPT-IBGZPJMESA-N 0 3 359.470 4.484 20 5 FIBDHN CCN(CC)[C@H](CNCc1ccc(C(C)C)c([N+](=O)[O-])c1)c1ccco1 ZINC000604532596 1115869401 /nfs/dbraw/zinc/86/94/01/1115869401.db2.gz AFPNGXDOUGPWPT-LJQANCHMSA-N 0 3 359.470 4.484 20 5 FIBDHN Cc1cccc(OCCNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000608982590 1116139563 /nfs/dbraw/zinc/13/95/63/1116139563.db2.gz VBAMVKXEBDRQCM-UHFFFAOYSA-N 0 3 352.390 4.332 20 5 FIBDHN COc1ccc(OCCN[C@H](C)c2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000442897646 1116329133 /nfs/dbraw/zinc/32/91/33/1116329133.db2.gz YMVJOQCSGZXAKD-CYBMUJFWSA-N 0 3 356.378 4.079 20 5 FIBDHN Cc1cccc(O[C@@H](C)CNCc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000462733226 1117740819 /nfs/dbraw/zinc/74/08/19/1117740819.db2.gz HJPBZMWRUDNIKV-ZDUSSCGKSA-N 0 3 366.364 4.062 20 5 FIBDHN C[C@@H](N[C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)c1cccc([N+](=O)[O-])c1 ZINC000540119902 1117883786 /nfs/dbraw/zinc/88/37/86/1117883786.db2.gz TZKZPNSQSYNGFA-OLZOCXBDSA-N 0 3 353.422 4.236 20 5 FIBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1CCOc2c(F)ccc(F)c21 ZINC000462963710 1117884662 /nfs/dbraw/zinc/88/46/62/1117884662.db2.gz ICLVBSRVAFZHSS-MLGOLLRUSA-N 0 3 362.376 4.308 20 5 FIBDHN C[C@H](Cc1cc(Br)ccc1F)NCc1csc([N+](=O)[O-])c1 ZINC000540621377 1118156193 /nfs/dbraw/zinc/15/61/93/1118156193.db2.gz YHXNVOJLCFCMPI-SECBINFHSA-N 0 3 373.247 4.279 20 5 FIBDHN CC(C)C[C@@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccs1 ZINC000541626507 1118586936 /nfs/dbraw/zinc/58/69/36/1118586936.db2.gz LFCBVDHLZXHNLP-DLBZAZTESA-N 0 3 373.478 4.139 20 5 FIBDHN Cc1ccc(Sc2ccc(CN(C)CC3CC(O)C3)cc2[N+](=O)[O-])cc1 ZINC000443849474 1118993385 /nfs/dbraw/zinc/99/33/85/1118993385.db2.gz DMTSYTSYBZHUHT-UHFFFAOYSA-N 0 3 372.490 4.257 20 5 FIBDHN CCOc1ccc([C@H](C)NCc2ccccc2-n2ccnc2)cc1[N+](=O)[O-] ZINC000153168174 1119130516 /nfs/dbraw/zinc/13/05/16/1119130516.db2.gz KPZZTTAYQQMKDY-HNNXBMFYSA-N 0 3 366.421 4.030 20 5 FIBDHN COc1cc(CN[C@@H](C)[C@H](OC)c2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000492781538 1119187530 /nfs/dbraw/zinc/18/75/30/1119187530.db2.gz DBBGNRQGOQQYQT-SGTLLEGYSA-N 0 3 364.829 4.123 20 5 FIBDHN O=[N+]([O-])c1ccc(CN(Cc2ccccc2)[C@@H](CO)C2CC2)cc1Cl ZINC000761535845 1119414392 /nfs/dbraw/zinc/41/43/92/1119414392.db2.gz ZWVISJFEWRZLEN-IBGZPJMESA-N 0 3 360.841 4.021 20 5 FIBDHN CO[C@H](c1ccccc1)[C@H](C)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494519557 1119886858 /nfs/dbraw/zinc/88/68/58/1119886858.db2.gz BRIZONRODYCQQP-SJCJKPOMSA-N 0 3 368.355 4.479 20 5 FIBDHN O=[N+]([O-])c1cccc([C@H](NCCc2cnc(C3CC3)nc2)c2ccccc2)c1 ZINC000494987268 1120411467 /nfs/dbraw/zinc/41/14/67/1120411467.db2.gz IRRHDKHZGRYBKU-OAQYLSRUSA-N 0 3 374.444 4.184 20 5 FIBDHN O=[N+]([O-])c1ccc(CCCCN[C@H](c2ccccc2)c2cncnc2)cc1 ZINC000542667133 1121166911 /nfs/dbraw/zinc/16/69/11/1121166911.db2.gz XJQUOUXTFSPILF-OAQYLSRUSA-N 0 3 362.433 4.087 20 5 FIBDHN C[C@H](Cc1cccc(O)c1)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000553421968 1122093709 /nfs/dbraw/zinc/09/37/09/1122093709.db2.gz NSWIDMFGTGFRTE-CYBMUJFWSA-N 0 3 369.446 4.145 20 5 FIBDHN CC(=O)c1cc(N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000553487233 1122132525 /nfs/dbraw/zinc/13/25/25/1122132525.db2.gz OWWMOURIQCTZPW-YWZLYKJASA-N 0 3 367.449 4.120 20 5 FIBDHN COc1cc(F)c([N+](=O)[O-])c(NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000301531111 1122207836 /nfs/dbraw/zinc/20/78/36/1122207836.db2.gz PKFMYJRSDJHXLT-HNNXBMFYSA-N 0 3 365.430 4.053 20 5 FIBDHN C[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1Cl ZINC000765846180 1122316896 /nfs/dbraw/zinc/31/68/96/1122316896.db2.gz UPNRUIRNWCHIRN-BONVTDFDSA-N 0 3 355.221 4.286 20 5 FIBDHN C[C@@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1Cl ZINC000765846181 1122317295 /nfs/dbraw/zinc/31/72/95/1122317295.db2.gz UPNRUIRNWCHIRN-MEBBXXQBSA-N 0 3 355.221 4.286 20 5 FIBDHN CN(C)Cc1cccc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 ZINC000497938719 1122481763 /nfs/dbraw/zinc/48/17/63/1122481763.db2.gz MSKSGPTXOMWRRL-UHFFFAOYSA-N 0 3 355.438 4.206 20 5 FIBDHN Cc1ccnc(NC[C@H](c2cccs2)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000609669446 1123789692 /nfs/dbraw/zinc/78/96/92/1123789692.db2.gz JVSDCQNCDQXLOX-OAHLLOKOSA-N 0 3 360.483 4.245 20 5 FIBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCc3ccc4c(c3)OCO4)s2)cc1 ZINC000238002499 1124224773 /nfs/dbraw/zinc/22/47/73/1124224773.db2.gz MUYFYBFKIXWKPT-UHFFFAOYSA-N 0 3 368.414 4.342 20 5 FIBDHN CC[C@H](NCc1cn(C)nc1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180422490 1124321297 /nfs/dbraw/zinc/32/12/97/1124321297.db2.gz HHZGQNKRTUUFGV-IBGZPJMESA-N 0 3 350.422 4.236 20 5 FIBDHN CN(C)[C@@H](CNc1ccc(Br)cc1[N+](=O)[O-])c1cccs1 ZINC000069447637 1124884920 /nfs/dbraw/zinc/88/49/20/1124884920.db2.gz MEUPXGLDWMIPSX-ZDUSSCGKSA-N 0 3 370.272 4.134 20 5 FIBDHN Cc1ccc([C@H](C)N[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000182163697 1125268849 /nfs/dbraw/zinc/26/88/49/1125268849.db2.gz LIHFXQFIHKUBMH-OYYNGEPBSA-N 0 3 362.376 4.362 20 5 FIBDHN C[C@@H](N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000618984258 1125411613 /nfs/dbraw/zinc/41/16/13/1125411613.db2.gz IHOWVLUIZGUCGI-ADLMAVQZSA-N 0 3 366.421 4.250 20 5 FIBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000619054850 1125438729 /nfs/dbraw/zinc/43/87/29/1125438729.db2.gz QHGBZZPKARETJW-OAHLLOKOSA-N 0 3 354.454 4.068 20 5 FIBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[C@H](c2ccccc2)C[C@@H]1OC ZINC000568543351 568048785 /nfs/dbraw/zinc/04/87/85/568048785.db2.gz QULULNCYXKVHPB-SCWSEQNSSA-N 0 3 370.449 4.044 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000481715108 568093847 /nfs/dbraw/zinc/09/38/47/568093847.db2.gz WRFMFPATUWFOEK-IIBYNOLFSA-N 0 3 352.434 4.486 20 5 FIBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2N[C@H]2CCc3sc(Cl)cc32)n1 ZINC000568757857 568181887 /nfs/dbraw/zinc/18/18/87/568181887.db2.gz HNHAGFIDWRJBOL-YNEHKIRRSA-N 0 3 366.874 4.267 20 5 FIBDHN CC[C@@H](NCCc1ccn(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000482046067 568238373 /nfs/dbraw/zinc/23/83/73/568238373.db2.gz SITSVONCVBMHCT-HXUWFJFHSA-N 0 3 350.422 4.064 20 5 FIBDHN CCOCCNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000236906490 568248081 /nfs/dbraw/zinc/24/80/81/568248081.db2.gz IQOGJDIBAWMFCY-UHFFFAOYSA-N 0 3 350.802 4.167 20 5 FIBDHN O=C(CCN1CC2(CCC2)[C@@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000453029733 568255070 /nfs/dbraw/zinc/25/50/70/568255070.db2.gz XUVGUOYASGMEGA-FQEVSTJZSA-N 0 3 365.433 4.151 20 5 FIBDHN COc1ccc([N+](=O)[O-])cc1CN(C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000604520784 568308008 /nfs/dbraw/zinc/30/80/08/568308008.db2.gz PTIRUKPDJCIWLV-UWJYYQICSA-N 0 3 370.449 4.203 20 5 FIBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000619722717 1125668301 /nfs/dbraw/zinc/66/83/01/1125668301.db2.gz UZGNKHJUQRPEIQ-HOTGVXAUSA-N 0 3 354.454 4.068 20 5 FIBDHN COc1cc([N+](=O)[O-])ccc1CN(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000430222990 1080016208 /nfs/dbraw/zinc/01/62/08/1080016208.db2.gz VORPZRCIKYEFSH-FXAWDEMLSA-N 0 3 374.412 4.095 20 5 FIBDHN COc1cccc(C[C@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC001167094641 1080340981 /nfs/dbraw/zinc/34/09/81/1080340981.db2.gz XHLAHNRZUKPINI-MRXNPFEDSA-N 0 3 360.841 4.464 20 5 FIBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNC(C)(C)c1ccc(C(C)C)cc1 ZINC000610390889 1081718031 /nfs/dbraw/zinc/71/80/31/1081718031.db2.gz NTQPBLGSDMWRTI-UHFFFAOYSA-N 0 3 369.465 4.490 20 5 FIBDHN C[C@H](c1ccncc1)N1CCC(Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000119291975 1082097751 /nfs/dbraw/zinc/09/77/51/1082097751.db2.gz BZVLWOFJSAXDBO-CYBMUJFWSA-N 0 3 360.845 4.281 20 5 FIBDHN CC[C@@H](C)N[C@H](CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)c1ccco1 ZINC000579878570 1082149593 /nfs/dbraw/zinc/14/95/93/1082149593.db2.gz PKUKECLQJFMLKZ-RHSMWYFYSA-N 0 3 373.453 4.170 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@H](n2ncc3ccccc32)C1 ZINC000510473142 1082966599 /nfs/dbraw/zinc/96/65/99/1082966599.db2.gz PSOOYRPPTNTGGI-QAPCUYQASA-N 0 3 350.422 4.261 20 5 FIBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000588446427 1083127338 /nfs/dbraw/zinc/12/73/38/1083127338.db2.gz CAZTWHPOVUAVJY-PTNGSMBKSA-N 0 3 353.422 4.007 20 5 FIBDHN CC(C)COC1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000510640923 1083217363 /nfs/dbraw/zinc/21/73/63/1083217363.db2.gz NIHCHOHYZCDOAQ-UHFFFAOYSA-N 0 3 358.438 4.492 20 5 FIBDHN Cc1ccccc1OCCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000520950629 1083385101 /nfs/dbraw/zinc/38/51/01/1083385101.db2.gz AGNAJZNHXZQRJU-UHFFFAOYSA-N 0 3 352.390 4.332 20 5 FIBDHN COc1ccccc1[C@H](CNCc1ccc([N+](=O)[O-])cc1C)OC(C)C ZINC000472056495 1084204165 /nfs/dbraw/zinc/20/41/65/1084204165.db2.gz WFROWFAFNLVCEW-FQEVSTJZSA-N 0 3 358.438 4.168 20 5 FIBDHN CC[C@@H](NCc1ccc(NC(=O)C(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000119829342 1084637167 /nfs/dbraw/zinc/63/71/67/1084637167.db2.gz PJLIRLDJBKYDIO-LJQANCHMSA-N 0 3 355.438 4.430 20 5 FIBDHN CCC[C@H](N[C@@H](CN(C)C)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000551556830 1084678576 /nfs/dbraw/zinc/67/85/76/1084678576.db2.gz YATVLCNYOLFIRE-SFTDATJTSA-N 0 3 371.481 4.337 20 5 FIBDHN CC(=O)c1cc(N[C@H](C)[C@@H](c2ccccc2C)N(C)C)ccc1[N+](=O)[O-] ZINC000582459075 1084695451 /nfs/dbraw/zinc/69/54/51/1084695451.db2.gz 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O=[N+]([O-])c1cccc(-c2nc(CN3CCC[C@@H]3[C@@H]3CCCOC3)cs2)c1 ZINC000567472078 1085865618 /nfs/dbraw/zinc/86/56/18/1085865618.db2.gz QNDJNCBIPUNQJD-CRAIPNDOSA-N 0 3 373.478 4.109 20 5 FIBDHN COc1ccc([C@@H](C)N[C@H]2CCc3c2cccc3[N+](=O)[O-])c(C)c1OC ZINC000582974534 1085979858 /nfs/dbraw/zinc/97/98/58/1085979858.db2.gz FAWNLKOVSYIPCI-DYVFJYSZSA-N 0 3 356.422 4.259 20 5 FIBDHN CCO[C@@H]1C[C@@H](N(C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C12CCC2 ZINC001167664833 1086520664 /nfs/dbraw/zinc/52/06/64/1086520664.db2.gz VGBRZRKQNCDONM-HZPDHXFCSA-N 0 3 372.387 4.393 20 5 FIBDHN CCO[C@H]1C[C@H](N(C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C12CCC2 ZINC001167664832 1086521056 /nfs/dbraw/zinc/52/10/56/1086521056.db2.gz VGBRZRKQNCDONM-HOTGVXAUSA-N 0 3 372.387 4.393 20 5 FIBDHN Cc1cc(CN(C)C)cc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)c1 ZINC000091696175 1086753401 /nfs/dbraw/zinc/75/34/01/1086753401.db2.gz ZFSVXWNLWAUYJW-UHFFFAOYSA-N 0 3 355.438 4.142 20 5 FIBDHN Cc1ccc([C@@H](C)N[C@H](CN2CCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000480282600 1087331706 /nfs/dbraw/zinc/33/17/06/1087331706.db2.gz XLMXYIKAELHJDX-YLJYHZDGSA-N 0 3 353.466 4.391 20 5 FIBDHN Cc1cc(C)n(-c2ccc(CN[C@H](C)c3cccc([N+](=O)[O-])c3)cc2)n1 ZINC000180418147 1087898336 /nfs/dbraw/zinc/89/83/36/1087898336.db2.gz CPAHPSJBRBUOKC-MRXNPFEDSA-N 0 3 350.422 4.248 20 5 FIBDHN CCS[C@@H]1CCCC[C@@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000189496136 1088485272 /nfs/dbraw/zinc/48/52/72/1088485272.db2.gz XGIVWKKVJKMGCZ-DLBZAZTESA-N 0 3 361.467 4.404 20 5 FIBDHN CCN(Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)[C@H](C)CO ZINC000430090758 1088968829 /nfs/dbraw/zinc/96/88/29/1088968829.db2.gz TUUIGGUUSJGSAJ-CYBMUJFWSA-N 0 3 364.829 4.243 20 5 FIBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1ccc(Br)s1 ZINC000549171210 1089110765 /nfs/dbraw/zinc/11/07/65/1089110765.db2.gz OCNYOLGSWZBJFC-UHFFFAOYSA-N 0 3 355.257 4.093 20 5 FIBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@H](CN1CCCC1)c1ccccc1 ZINC000515072345 1089772379 /nfs/dbraw/zinc/77/23/79/1089772379.db2.gz 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O=[N+]([O-])c1ccc(CNCc2cc3cc(Br)ccc3[nH]2)cc1 ZINC000183818360 1096218376 /nfs/dbraw/zinc/21/83/76/1096218376.db2.gz XDQKXQJBTHJABO-UHFFFAOYSA-N 0 3 360.211 4.128 20 5 FIBDHN CC(C)N1CCC(Nc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000017281457 1096735039 /nfs/dbraw/zinc/73/50/39/1096735039.db2.gz NXLDRFWSSJQTHM-UHFFFAOYSA-N 0 3 367.449 4.111 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](c1ccc(F)cc1)C1CCC1 ZINC000533046147 1098712442 /nfs/dbraw/zinc/71/24/42/1098712442.db2.gz KFLALJVEJHXOSP-FQEVSTJZSA-N 0 3 371.412 4.112 20 5 FIBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CNC1(c2ccc(F)cc2)CCCC1 ZINC000533052328 1098718809 /nfs/dbraw/zinc/71/88/09/1098718809.db2.gz BGCKPIHUZKTSSR-UHFFFAOYSA-N 0 3 371.412 4.040 20 5 FIBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459650295 1100393190 /nfs/dbraw/zinc/39/31/90/1100393190.db2.gz XLLPIRSQQQPIQC-CZUORRHYSA-N 0 3 372.387 4.337 20 5 FIBDHN Cc1cc([N+](=O)[O-])cnc1NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000518140486 1100943283 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FIBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(CN2CCc3ccccc32)CC1 ZINC000441396322 1104330383 /nfs/dbraw/zinc/33/03/83/1104330383.db2.gz BZUONFQOSBQQNH-KRWDZBQOSA-N 0 3 365.477 4.431 20 5 FIBDHN C[C@H](N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CC1 ZINC000015504409 1105171630 /nfs/dbraw/zinc/17/16/30/1105171630.db2.gz UMDXDLHVVJFUKQ-KPZWWZAWSA-N 0 3 373.840 4.316 20 5 FIBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000184840773 1105224529 /nfs/dbraw/zinc/22/45/29/1105224529.db2.gz FASFNDJTEQOIRH-GOSISDBHSA-N 0 3 369.465 4.172 20 5 FIBDHN COc1cc(CN[C@H]2CC2(C)C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000507930688 1105274938 /nfs/dbraw/zinc/27/49/38/1105274938.db2.gz MYOZFLWOXXNHHF-IBGZPJMESA-N 0 3 356.422 4.071 20 5 FIBDHN CC(C)(O)[C@@H]1CCCN1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000428079062 1105365840 /nfs/dbraw/zinc/36/58/40/1105365840.db2.gz OWXWWUOQTDCFMB-IBGZPJMESA-N 0 3 374.412 4.262 20 5 FIBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)[C@H](C)Cc1ccc(O)cc1 ZINC001168135012 1107487930 /nfs/dbraw/zinc/48/79/30/1107487930.db2.gz UGGQEDIPZVOQQE-OAHLLOKOSA-N 0 3 358.438 4.151 20 5 FIBDHN CC[C@H](N[C@@H]1C[C@H](OC(C)(C)C)[C@H]1n1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000453383280 1108467421 /nfs/dbraw/zinc/46/74/21/1108467421.db2.gz SJDBAHSLBNOEDD-RDGPPVDQSA-N 0 3 372.469 4.029 20 5 FIBDHN Cc1cc(F)ccc1CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000532041737 1108575270 /nfs/dbraw/zinc/57/52/70/1108575270.db2.gz GZXKAYYVLJAKQZ-UHFFFAOYSA-N 0 3 371.437 4.498 20 5 FIBDHN CC1(C)C[C@@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCO1 ZINC000453573526 1108636089 /nfs/dbraw/zinc/63/60/89/1108636089.db2.gz AANJWELFVFHDAH-ZDUSSCGKSA-N 0 3 361.467 4.013 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](c1c(F)cccc1F)N(C)C ZINC000532222261 1108722802 /nfs/dbraw/zinc/72/28/02/1108722802.db2.gz HCQBABULQQCXAR-UGSOOPFHSA-N 0 3 363.408 4.135 20 5 FIBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(Oc2ccncc2C)CC1 ZINC000447058390 1109425935 /nfs/dbraw/zinc/42/59/35/1109425935.db2.gz HPTBCSUZFIFJTA-FOWTUZBSSA-N 0 3 367.449 4.245 20 5 FIBDHN CCn1cc([C@@H](C)NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cn1 ZINC000449670216 1110146831 /nfs/dbraw/zinc/14/68/31/1110146831.db2.gz PHALIMHSGKQENW-CYBMUJFWSA-N 0 3 356.451 4.391 20 5 FIBDHN COc1cc(CN2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000538721073 1111261979 /nfs/dbraw/zinc/26/19/79/1111261979.db2.gz MIMIUDILAJAACG-ZFWWWQNUSA-N 0 3 374.412 4.129 20 5 FIBDHN C[C@@H](NCCOc1ncc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000539060896 1111406822 /nfs/dbraw/zinc/40/68/22/1111406822.db2.gz JVFCWKIXLAVPAX-SNVBAGLBSA-N 0 3 356.209 4.026 20 5 FIBDHN CC[C@@H](NCCOc1ccc(OC)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000539315371 1111509195 /nfs/dbraw/zinc/50/91/95/1111509195.db2.gz IDHIWJYPFRKKTK-MRXNPFEDSA-N 0 3 366.364 4.001 20 5 FIBDHN CCc1nc2c(s1)[C@H](N(C)CCOc1cccc([N+](=O)[O-])c1)CCC2 ZINC000478047015 1111664115 /nfs/dbraw/zinc/66/41/15/1111664115.db2.gz KVIFQAGGHKSSJP-MRXNPFEDSA-N 0 3 361.467 4.002 20 5 FIBDHN CCC(=O)c1ccc(NC[C@@H](N[C@H](C)CC)c2ccco2)c([N+](=O)[O-])c1 ZINC000553601132 1112025088 /nfs/dbraw/zinc/02/50/88/1112025088.db2.gz IYESXCLTUHGCJJ-CZUORRHYSA-N 0 3 359.426 4.322 20 5 FIBDHN Cc1c(CNCc2cn(C)nc2-c2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000480448430 1112433714 /nfs/dbraw/zinc/43/37/14/1112433714.db2.gz WJRYCDDQVDAGIX-UHFFFAOYSA-N 0 3 370.840 4.247 20 5 FIBDHN Cc1c([C@@H](C)NC[C@@H](c2c(F)cccc2F)N(C)C)cccc1[N+](=O)[O-] ZINC000483144092 1113452862 /nfs/dbraw/zinc/45/28/62/1113452862.db2.gz QYDBZZBWVTZHPC-ACJLOTCBSA-N 0 3 363.408 4.135 20 5 FIBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1cccc(OCC(F)F)c1)CCC2 ZINC000192980489 1114501658 /nfs/dbraw/zinc/50/16/58/1114501658.db2.gz CFFIIYMPROOIMN-SFHVURJKSA-N 0 3 362.376 4.406 20 5 FIBDHN COc1cccc([C@H](CNc2ccc(C(F)F)cc2[N+](=O)[O-])N(C)C)c1 ZINC000589103585 1114696730 /nfs/dbraw/zinc/69/67/30/1114696730.db2.gz NUEZJWUYEAPNFY-KRWDZBQOSA-N 0 3 365.380 4.256 20 5 FIBDHN C[C@@H](N[C@H](C)c1cccc2ccccc21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000057555218 1114949409 /nfs/dbraw/zinc/94/94/09/1114949409.db2.gz KAOXWIWKBMVVBN-HUUCEWRRSA-N 0 3 363.417 4.426 20 5 FIBDHN COc1cncc(/C=C\CCN(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000574515300 1115417097 /nfs/dbraw/zinc/41/70/97/1115417097.db2.gz VRWUFGWOAKYONI-XQRVVYSFSA-N 0 3 353.422 4.066 20 5 FIBDHN CC(C)n1cc(C2=CCCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)nn1 ZINC000595518285 1115539986 /nfs/dbraw/zinc/53/99/86/1115539986.db2.gz UNRRMYFZJVKNSF-HNNXBMFYSA-N 0 3 355.442 4.008 20 5 FIBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCCC[C@@H]3CC3CCC3)o2)cc1 ZINC000595866171 1115564889 /nfs/dbraw/zinc/56/48/89/1115564889.db2.gz FUFWVJFYDMBQTL-QGZVFWFLSA-N 0 3 356.426 4.190 20 5 FIBDHN O=[N+]([O-])c1cc(CN2CCC[C@@H]2CC2CCCCC2)c2c(c1)COCO2 ZINC000060892980 1115725576 /nfs/dbraw/zinc/72/55/76/1115725576.db2.gz WKJRESVPVXXGKR-GOSISDBHSA-N 0 3 360.454 4.396 20 5 FIBDHN CC(C)c1ccc(CN[C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1[N+](=O)[O-] ZINC000061110785 1115776957 /nfs/dbraw/zinc/77/69/57/1115776957.db2.gz WSIUOUIRPQSESR-AWEZNQCLSA-N 0 3 367.449 4.454 20 5 FIBDHN C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)NCc1ccccc1[N+](=O)[O-] ZINC000599036386 1115780464 /nfs/dbraw/zinc/78/04/64/1115780464.db2.gz QBUAVIKRZBEVMC-SNVBAGLBSA-N 0 3 373.762 4.383 20 5 FIBDHN C[C@@H]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]2CCCC[C@@H]12 ZINC000603846836 1115820760 /nfs/dbraw/zinc/82/07/60/1115820760.db2.gz CXDPQLUKNNYLJA-XOKHGSTOSA-N 0 3 356.426 4.045 20 5 FIBDHN Cc1ccc(Sc2ccc(CNCCn3cccn3)cc2[N+](=O)[O-])cc1 ZINC000604125498 1115852940 /nfs/dbraw/zinc/85/29/40/1115852940.db2.gz WKGKXAIPJYRNGJ-UHFFFAOYSA-N 0 3 368.462 4.041 20 5 FIBDHN COc1cccc(CN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC(C)C)c1 ZINC000604494597 1115868101 /nfs/dbraw/zinc/86/81/01/1115868101.db2.gz CMLZUBWRZPXYDV-UHFFFAOYSA-N 0 3 358.438 4.270 20 5 FIBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCOc3ccccc3F)o2)cc1 ZINC000608835545 1116130950 /nfs/dbraw/zinc/13/09/50/1116130950.db2.gz VOAWMFLOUQQCCX-UHFFFAOYSA-N 0 3 356.353 4.163 20 5 FIBDHN C[C@H](Cc1ccccc1Br)NCc1csc([N+](=O)[O-])c1 ZINC000539522574 1116337652 /nfs/dbraw/zinc/33/76/52/1116337652.db2.gz PNERZJMQNGWGSP-SNVBAGLBSA-N 0 3 355.257 4.140 20 5 FIBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000462764309 1117755585 /nfs/dbraw/zinc/75/55/85/1117755585.db2.gz FOIOGHKDLAEYRW-SFHVURJKSA-N 0 3 369.465 4.172 20 5 FIBDHN O=[N+]([O-])c1ccccc1C[C@H](N[C@@H]1CCOc2c(F)ccc(F)c21)C1CC1 ZINC000462948609 1117878753 /nfs/dbraw/zinc/87/87/53/1117878753.db2.gz WPABXZWWYYQFAD-SJORKVTESA-N 0 3 374.387 4.308 20 5 FIBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1CCOc2c(F)ccc(F)c21 ZINC000462963709 1117884681 /nfs/dbraw/zinc/88/46/81/1117884681.db2.gz ICLVBSRVAFZHSS-BLLLJJGKSA-N 0 3 362.376 4.308 20 5 FIBDHN CC(C)Oc1ccccc1[C@@H](C)NCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000540328225 1117993989 /nfs/dbraw/zinc/99/39/89/1117993989.db2.gz NDUJOZVTNRJWEK-OAHLLOKOSA-N 0 3 371.437 4.061 20 5 FIBDHN Cc1nc(CCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)sc1C ZINC000122609928 1119167183 /nfs/dbraw/zinc/16/71/83/1119167183.db2.gz WIVKTISLRAERAJ-UHFFFAOYSA-N 0 3 374.491 4.124 20 5 FIBDHN Cc1nc(CCN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c(C)o1 ZINC000493227560 1119353561 /nfs/dbraw/zinc/35/35/61/1119353561.db2.gz KHQBFKSFEMXCRM-FQEVSTJZSA-N 0 3 351.406 4.121 20 5 FIBDHN Cc1ccc([C@H](CNCc2ccc([N+](=O)[O-])c(Cl)c2)N2CCCC2)o1 ZINC000761531168 1119411304 /nfs/dbraw/zinc/41/13/04/1119411304.db2.gz BXWQWKGYRWMOJT-KRWDZBQOSA-N 0 3 363.845 4.076 20 5 FIBDHN CCOc1ccc([C@H](C)NC[C@@H](O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000152703036 1119487121 /nfs/dbraw/zinc/48/71/21/1119487121.db2.gz XJOVKXPLYMLBMT-YVEFUNNKSA-N 0 3 364.829 4.031 20 5 FIBDHN CC(C)[C@@H](O)C1(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000494968828 1120407757 /nfs/dbraw/zinc/40/77/57/1120407757.db2.gz LGLHXQWBGDKJJB-WOJBJXKFSA-N 0 3 354.450 4.071 20 5 FIBDHN C[C@H](C1CC1)N(Cc1cccc([N+](=O)[O-])c1)Cc1cccc([N+](=O)[O-])c1 ZINC000914867083 1120605493 /nfs/dbraw/zinc/60/54/93/1120605493.db2.gz SAMPCRLMEGTDLW-CQSZACIVSA-N 0 3 355.394 4.304 20 5 FIBDHN C[C@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])c1nc2ccccc2n1C ZINC000495421982 1120799494 /nfs/dbraw/zinc/79/94/94/1120799494.db2.gz XAFNYBLXRJRFGK-LBPRGKRZSA-N 0 3 358.829 4.028 20 5 FIBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000917134000 1122190904 /nfs/dbraw/zinc/19/09/04/1122190904.db2.gz LSXHFQMDVPPMAB-INIZCTEOSA-N 0 3 365.433 4.464 20 5 FIBDHN O=[N+]([O-])c1ccc(CNCc2c(-c3ccccc3)nc3sccn32)cc1 ZINC000917437991 1122304632 /nfs/dbraw/zinc/30/46/32/1122304632.db2.gz SGTQQZWJSIDLDS-UHFFFAOYSA-N 0 3 364.430 4.261 20 5 FIBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC1(c2ccc(Cl)cc2)CC1 ZINC000553859143 1122309722 /nfs/dbraw/zinc/30/97/22/1122309722.db2.gz MBWVGPCBFYEVPD-CYBMUJFWSA-N 0 3 373.840 4.244 20 5 FIBDHN CC[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H](O)C(F)(F)F ZINC000498373319 1122756304 /nfs/dbraw/zinc/75/63/04/1122756304.db2.gz NCMKSQLAIOTBGK-IUODEOHRSA-N 0 3 374.384 4.115 20 5 FIBDHN CCN(Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])C1CCCC1 ZINC000556508815 1122932009 /nfs/dbraw/zinc/93/20/09/1122932009.db2.gz QYZDMCZBWRRSSO-UHFFFAOYSA-N 0 3 358.385 4.012 20 5 FIBDHN C[C@@H](N[C@@H](C)c1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000499249692 1123359559 /nfs/dbraw/zinc/35/95/59/1123359559.db2.gz VFTXKNGJIVHZSR-LSDHHAIUSA-N 0 3 367.449 4.151 20 5 FIBDHN Cc1ccc(OC2CCN(CCCOc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000609739565 1123824334 /nfs/dbraw/zinc/82/43/34/1123824334.db2.gz NQGJXBCANPOZGB-UHFFFAOYSA-N 0 3 370.449 4.216 20 5 FIBDHN Cc1cc(CNCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n[nH]1 ZINC000610009956 1123915854 /nfs/dbraw/zinc/91/58/54/1123915854.db2.gz KGHXHPXWUDEGSE-UHFFFAOYSA-N 0 3 372.812 4.362 20 5 FIBDHN Cc1c(NC(=O)CCNC2(c3cccc(Cl)c3)CC2)cccc1[N+](=O)[O-] ZINC000179674967 1124024692 /nfs/dbraw/zinc/02/46/92/1124024692.db2.gz VULXQTUMNWMNHQ-UHFFFAOYSA-N 0 3 373.840 4.164 20 5 FIBDHN C[C@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1cccc(F)c1F ZINC000181961506 1125190538 /nfs/dbraw/zinc/19/05/38/1125190538.db2.gz RLJUIHNUGJMVFG-LBPRGKRZSA-N 0 3 373.359 4.421 20 5 FIBDHN CC(C)[C@@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000584665111 567926439 /nfs/dbraw/zinc/92/64/39/567926439.db2.gz AENIFABBJYWNPJ-DYESRHJHSA-N 0 3 368.433 4.340 20 5 FIBDHN COc1cc(CN[C@@H]2CC[C@H](c3ccccc3F)C2)c([N+](=O)[O-])cc1OC ZINC000481835428 568147349 /nfs/dbraw/zinc/14/73/49/568147349.db2.gz ZNDHNGGDJHRKPR-DZGCQCFKSA-N 0 3 374.412 4.177 20 5 FIBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000541951232 568272743 /nfs/dbraw/zinc/27/27/43/568272743.db2.gz CYQJEKXXKUQJLT-PJIJBLCYSA-N 0 3 356.426 4.218 20 5 FIBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1ccc2sccc2c1 ZINC000569294540 568341959 /nfs/dbraw/zinc/34/19/59/568341959.db2.gz ZQVFMUIZSJZHDP-CYBMUJFWSA-N 0 3 369.446 4.316 20 5 FIBDHN CCOc1ccc([C@@H](C)NCC(C)(C)c2ncccc2C)cc1[N+](=O)[O-] ZINC000569973634 568445097 /nfs/dbraw/zinc/44/50/97/568445097.db2.gz KVHAZSXRDVSQDC-OAHLLOKOSA-N 0 3 357.454 4.325 20 5 FIBDHN CSc1ccc([C@@H](CNC/C=C\c2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000570348349 568479712 /nfs/dbraw/zinc/47/97/12/568479712.db2.gz OQILIFWOYSBIAO-LQOHYYORSA-N 0 3 371.506 4.222 20 5 FIBDHN CSc1ccc([C@H](CNC/C=C/c2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000570348348 568479715 /nfs/dbraw/zinc/47/97/15/568479715.db2.gz OQILIFWOYSBIAO-IEJURRBGSA-N 0 3 371.506 4.222 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCCN2c3ccccc3C[C@@H]2C1 ZINC000570607356 568490712 /nfs/dbraw/zinc/49/07/12/568490712.db2.gz RFCSOCWLWUUFKN-QFBILLFUSA-N 0 3 351.450 4.101 20 5 FIBDHN CCN(CC)C(=O)CCC1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000182551330 1125551453 /nfs/dbraw/zinc/55/14/53/1125551453.db2.gz STEYSHYJECBJJI-INIZCTEOSA-N 0 3 361.486 4.016 20 5 FIBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000619722719 1125668129 /nfs/dbraw/zinc/66/81/29/1125668129.db2.gz UZGNKHJUQRPEIQ-JKSUJKDBSA-N 0 3 354.454 4.068 20 5 FIBDHN CC(C)(C)OC(=O)CCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000557832879 1079644332 /nfs/dbraw/zinc/64/43/32/1079644332.db2.gz FKYWKTRUFFFRTI-UHFFFAOYSA-N 0 3 360.410 4.066 20 5 FIBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNCCOc2cccc(F)c2)o1 ZINC000608836101 1079836226 /nfs/dbraw/zinc/83/62/26/1079836226.db2.gz KSGJJZNCCPBVBG-UHFFFAOYSA-N 0 3 356.353 4.163 20 5 FIBDHN CCOC(=O)C(C)(C)C1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000510157766 1080446678 /nfs/dbraw/zinc/44/66/78/1080446678.db2.gz ANZTVYJALIPEHM-HNNXBMFYSA-N 0 3 362.470 4.266 20 5 FIBDHN COc1ccccc1[C@H](CN[C@H](C)c1ccc([N+](=O)[O-])cc1)OC(C)C ZINC000471611668 1082091699 /nfs/dbraw/zinc/09/16/99/1082091699.db2.gz CPQOZELPBNXWBB-QRWLVFNGSA-N 0 3 358.438 4.420 20 5 FIBDHN COc1cccc([C@@H](C)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000430505486 1082118956 /nfs/dbraw/zinc/11/89/56/1082118956.db2.gz YUYFKACJBUFDDW-OAHLLOKOSA-N 0 3 356.422 4.208 20 5 FIBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000580981307 1082265896 /nfs/dbraw/zinc/26/58/96/1082265896.db2.gz CBHVLDLJBJRNAX-SUMWQHHRSA-N 0 3 374.441 4.001 20 5 FIBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000580981305 1082266074 /nfs/dbraw/zinc/26/60/74/1082266074.db2.gz CBHVLDLJBJRNAX-DYVFJYSZSA-N 0 3 374.441 4.001 20 5 FIBDHN CC[C@H](C)N[C@@H](CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)c1ccco1 ZINC000477188409 1082743979 /nfs/dbraw/zinc/74/39/79/1082743979.db2.gz NEHQFZSOPXTWBN-ZFWWWQNUSA-N 0 3 374.441 4.056 20 5 FIBDHN COc1ccc(-c2ccc(CN[C@@H]3CCC(F)(F)C3)o2)c([N+](=O)[O-])c1 ZINC000610787847 1083510280 /nfs/dbraw/zinc/51/02/80/1083510280.db2.gz YZKAOSKGWSRRQK-LLVKDONJSA-N 0 3 352.337 4.141 20 5 FIBDHN CC[C@H](N[C@H](Cc1nccn1C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000610828239 1083745277 /nfs/dbraw/zinc/74/52/77/1083745277.db2.gz PLBITZWCAYJNTK-VQTJNVASSA-N 0 3 364.449 4.353 20 5 FIBDHN CC[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccc2c(c1)OCCO2 ZINC000178479489 1083983639 /nfs/dbraw/zinc/98/36/39/1083983639.db2.gz KSHGIEHDDZJDFK-KBXCAEBGSA-N 0 3 356.422 4.476 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](c1ccccc1C)C(C)C 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CCN1CCN(c2ccccc2N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000537447109 1101790570 /nfs/dbraw/zinc/79/05/70/1101790570.db2.gz YLQKXIKZILYAPF-KRWDZBQOSA-N 0 3 368.481 4.218 20 5 FIBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNC1(c2ccc(F)cc2)CCCC1 ZINC000440197600 1102087751 /nfs/dbraw/zinc/08/77/51/1102087751.db2.gz WPZOCPOYXKIWIU-UHFFFAOYSA-N 0 3 371.412 4.040 20 5 FIBDHN C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(F)c2ccccc21 ZINC000551030764 1102809560 /nfs/dbraw/zinc/80/95/60/1102809560.db2.gz BPFMDGPWVGDCLL-ZDUSSCGKSA-N 0 3 367.380 4.176 20 5 FIBDHN O=C(CN[C@H](c1ccccc1)C1CCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000532686812 1102945992 /nfs/dbraw/zinc/94/59/92/1102945992.db2.gz XPJHUVIKUGCMQO-LJQANCHMSA-N 0 3 373.840 4.318 20 5 FIBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](c1ccccc1)C1CCCC1 ZINC000532716219 1103040747 /nfs/dbraw/zinc/04/07/47/1103040747.db2.gz QBYLCOUPELTXHK-OAQYLSRUSA-N 0 3 367.449 4.363 20 5 FIBDHN COc1ccc2c(c1)CCC[C@@H]2N(C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000507160825 1103160780 /nfs/dbraw/zinc/16/07/80/1103160780.db2.gz NMBRUEPRQLEUPK-SFHVURJKSA-N 0 3 356.422 4.121 20 5 FIBDHN O=C(CN[C@@H](c1cccc(F)c1)C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000538233081 1104063905 /nfs/dbraw/zinc/06/39/05/1104063905.db2.gz JARBYWPTBXIRLB-HXUWFJFHSA-N 0 3 371.412 4.194 20 5 FIBDHN C[C@H](N[C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccc([N+](=O)[O-])cc1 ZINC000453245812 1108321297 /nfs/dbraw/zinc/32/12/97/1108321297.db2.gz IUCPXXFRSKRCRT-STQMWFEESA-N 0 3 353.422 4.236 20 5 FIBDHN C[C@@H](N[C@@H](C)c1cc2ccccc2s1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000525951937 1109562129 /nfs/dbraw/zinc/56/21/29/1109562129.db2.gz SJXQEZBZFIAXAM-QWHCGFSZSA-N 0 3 369.446 4.487 20 5 FIBDHN COc1cc(CN2C[C@H](c3ccc(F)cc3)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000538721070 1111261845 /nfs/dbraw/zinc/26/18/45/1111261845.db2.gz MIMIUDILAJAACG-DZGCQCFKSA-N 0 3 374.412 4.129 20 5 FIBDHN COc1cc(CN2C[C@@H](c3ccc(F)cc3)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000538721071 1111262188 /nfs/dbraw/zinc/26/21/88/1111262188.db2.gz MIMIUDILAJAACG-HIFRSBDPSA-N 0 3 374.412 4.129 20 5 FIBDHN Cc1c(CN[C@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)cccc1[N+](=O)[O-] ZINC000478496207 1111794477 /nfs/dbraw/zinc/79/44/77/1111794477.db2.gz KIKZAKHALUSMMR-SFHVURJKSA-N 0 3 355.394 4.237 20 5 FIBDHN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC[C@H]2C2CCOCC2)c1 ZINC000555422398 1112828432 /nfs/dbraw/zinc/82/84/32/1112828432.db2.gz YOUDTCLUXSZFDS-INIZCTEOSA-N 0 3 358.360 4.005 20 5 FIBDHN CC[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccccc1F ZINC000593065396 1113251491 /nfs/dbraw/zinc/25/14/91/1113251491.db2.gz WFJNVPGUMUBMDW-KRWDZBQOSA-N 0 3 359.401 4.112 20 5 FIBDHN CCC[C@H](NCc1cccc(-n2ccnc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000483146685 1113454482 /nfs/dbraw/zinc/45/44/82/1113454482.db2.gz YNXDDVFUVRAEJM-FQEVSTJZSA-N 0 3 350.422 4.412 20 5 FIBDHN CCOc1cc(NC[C@@H](c2ccc(C)o2)N2CCCC2)ccc1[N+](=O)[O-] ZINC000486975460 1113688921 /nfs/dbraw/zinc/68/89/21/1113688921.db2.gz ZCEIYJWEFGYJHT-KRWDZBQOSA-N 0 3 359.426 4.144 20 5 FIBDHN CC[C@H](C)c1nnc([C@H](C)[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])[n-]1 ZINC000488465572 1113937641 /nfs/dbraw/zinc/93/76/41/1113937641.db2.gz OQCXOGPXHMWQOL-JKQORVJESA-N 0 3 371.485 4.288 20 5 FIBDHN Cc1cc(F)ccc1CN(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000488559927 1113953894 /nfs/dbraw/zinc/95/38/94/1113953894.db2.gz OLRLKINRPZGDGP-UHFFFAOYSA-N 0 3 368.412 4.075 20 5 FIBDHN Cc1ccc([C@H]2C[C@H](C)N(Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)cc1 ZINC000490077282 1114213918 /nfs/dbraw/zinc/21/39/18/1114213918.db2.gz DIOOLVVACPLTBJ-HOCLYGCPSA-N 0 3 351.406 4.422 20 5 FIBDHN O=[N+]([O-])c1cccc([C@@H](NC[C@H](O)C2CCCCC2)c2ccccc2)c1 ZINC000491013228 1114365664 /nfs/dbraw/zinc/36/56/64/1114365664.db2.gz ZBNCQKGYYQBTHV-SFTDATJTSA-N 0 3 354.450 4.215 20 5 FIBDHN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCCC2=O)cc1 ZINC000156886107 1114631551 /nfs/dbraw/zinc/63/15/51/1114631551.db2.gz OFLDOOVFQHSBDG-CABCVRRESA-N 0 3 353.422 4.133 20 5 FIBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](c1ccccc1)C(C)(C)C ZINC000165718637 1114874627 /nfs/dbraw/zinc/87/46/27/1114874627.db2.gz ZEJHWWJVIOZTTE-IBGZPJMESA-N 0 3 355.438 4.219 20 5 FIBDHN O=[N+]([O-])c1ccc(CCNCc2nc(-c3ccccc3F)cs2)cc1 ZINC000590596165 1114951639 /nfs/dbraw/zinc/95/16/39/1114951639.db2.gz UDARRKVMAVVUEM-UHFFFAOYSA-N 0 3 357.410 4.190 20 5 FIBDHN C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)[C@H]2CCCC[C@H]12 ZINC001168400985 1115107587 /nfs/dbraw/zinc/10/75/87/1115107587.db2.gz GMKAWOOGORHIOG-BNOWGMLFSA-N 0 3 353.260 4.368 20 5 FIBDHN C[C@H](NCc1cccc(COC[C@H]2CCCO2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000595103363 1115516491 /nfs/dbraw/zinc/51/64/91/1115516491.db2.gz LZYFPMKNULOGAR-HRAATJIYSA-N 0 3 370.449 4.141 20 5 FIBDHN CC(C)[C@H](O)[C@@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000595097397 1115518217 /nfs/dbraw/zinc/51/82/17/1115518217.db2.gz VPMFKORGFZPIKR-ACRUOGEOSA-N 0 3 354.450 4.320 20 5 FIBDHN COc1ccc([C@H](N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C2CC2)cn1 ZINC000599095518 1115788824 /nfs/dbraw/zinc/78/88/24/1115788824.db2.gz GALVYHCPGFRDBG-UYAOXDASSA-N 0 3 367.449 4.462 20 5 FIBDHN CN(C)C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC000599172071 1115796840 /nfs/dbraw/zinc/79/68/40/1115796840.db2.gz JYUZXCFRTNVJDU-CQSZACIVSA-N 0 3 355.225 4.011 20 5 FIBDHN CN(CCOc1ccccc1[N+](=O)[O-])Cc1ccc(OC(F)(F)F)cc1 ZINC000603840723 1115818509 /nfs/dbraw/zinc/81/85/09/1115818509.db2.gz ZJHQSMZTLOBOCF-UHFFFAOYSA-N 0 3 370.327 4.004 20 5 FIBDHN C[C@@H]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]2CCCC[C@@H]12 ZINC000603846834 1115820881 /nfs/dbraw/zinc/82/08/81/1115820881.db2.gz CXDPQLUKNNYLJA-COXVUDFISA-N 0 3 356.426 4.045 20 5 FIBDHN C[C@@H](NC[C@@H](O)c1cc(Cl)cc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000173426604 1116065650 /nfs/dbraw/zinc/06/56/50/1116065650.db2.gz QLWXGTNEUHEVKO-QLJPJBMISA-N 0 3 355.221 4.286 20 5 FIBDHN CC(C)(C)OCCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000608782144 1116128415 /nfs/dbraw/zinc/12/84/15/1116128415.db2.gz FJOSVMMRKFKBLR-UHFFFAOYSA-N 0 3 362.401 4.431 20 5 FIBDHN Cc1ccccc1OCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000608836527 1116131357 /nfs/dbraw/zinc/13/13/57/1116131357.db2.gz OWSJFSBJLKAMIO-UHFFFAOYSA-N 0 3 352.390 4.332 20 5 FIBDHN O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@H]3Cc3ccccc3)co2)cc1 ZINC000534079381 1116156872 /nfs/dbraw/zinc/15/68/72/1116156872.db2.gz GFQLDLKGXUYQEJ-FQEVSTJZSA-N 0 3 363.417 4.457 20 5 FIBDHN C[C@@H](NC[C@](C)(O)C(F)(F)F)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000540151630 1117906260 /nfs/dbraw/zinc/90/62/60/1117906260.db2.gz SVKHGJCUPFPBPF-BMIGLBTASA-N 0 3 374.384 4.287 20 5 FIBDHN O=[N+]([O-])c1ccc(CNCc2ccc(-c3ccc4c(c3)CCO4)cc2)cc1 ZINC000540809530 1118258057 /nfs/dbraw/zinc/25/80/57/1118258057.db2.gz MMXWILWSVHRWKF-UHFFFAOYSA-N 0 3 360.413 4.487 20 5 FIBDHN CCS[C@@H]1CC[C@@H](N(C)Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000464780445 1118691918 /nfs/dbraw/zinc/69/19/18/1118691918.db2.gz SUFHBRFYLZMNSO-NVXWUHKLSA-N 0 3 352.500 4.488 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000464858894 1118726629 /nfs/dbraw/zinc/72/66/29/1118726629.db2.gz XEMYLJGEDXUHOU-KDOFPFPSSA-N 0 3 371.437 4.298 20 5 FIBDHN Cn1cc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c(-c2ccccc2)n1 ZINC000193278157 1120649640 /nfs/dbraw/zinc/64/96/40/1120649640.db2.gz PXUDNODSOGTNGB-FQEVSTJZSA-N 0 3 362.433 4.163 20 5 FIBDHN COC[C@@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000495379904 1120767082 /nfs/dbraw/zinc/76/70/82/1120767082.db2.gz NATJFPDSBWBMRW-MRXNPFEDSA-N 0 3 370.783 4.046 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000153656298 1121006933 /nfs/dbraw/zinc/00/69/33/1121006933.db2.gz JMDAWNOUGGTOIR-AWEZNQCLSA-N 0 3 354.385 4.079 20 5 FIBDHN Cc1c(CN[C@H](C)c2cccc([N+](=O)[O-])c2)sc2nc(C)nc(C)c12 ZINC000916836715 1121876896 /nfs/dbraw/zinc/87/68/96/1121876896.db2.gz NVAMRHJIXBPGOK-LLVKDONJSA-N 0 3 356.451 4.376 20 5 FIBDHN CCC1CCC(N(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C2CC2)CC1 ZINC000917439643 1122305620 /nfs/dbraw/zinc/30/56/20/1122305620.db2.gz ALORVKBUCNEWRF-UHFFFAOYSA-N 0 3 369.469 4.244 20 5 FIBDHN C[C@](CO)(NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1 ZINC000237636481 1124002898 /nfs/dbraw/zinc/00/28/98/1124002898.db2.gz FRMUGQOHENFIJD-HXUWFJFHSA-N 0 3 368.458 4.321 20 5 FIBDHN COc1ccc2oc([C@H](C)NC[C@H](O)c3ccc([N+](=O)[O-])cc3)c(C)c2c1 ZINC000765850386 1124204878 /nfs/dbraw/zinc/20/48/78/1124204878.db2.gz YAAVJOVBHLMEFV-UGSOOPFHSA-N 0 3 370.405 4.042 20 5 FIBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@H]2CCSc3ccc(Cl)cc32)cc1 ZINC000765850686 1124214409 /nfs/dbraw/zinc/21/44/09/1124214409.db2.gz ZJUPVPXYHRSIIK-HOTGVXAUSA-N 0 3 364.854 4.108 20 5 FIBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN(C)C)c1 ZINC000180152933 1124243527 /nfs/dbraw/zinc/24/35/27/1124243527.db2.gz OHYMVQJEOKGVSK-UHFFFAOYSA-N 0 3 373.478 4.409 20 5 FIBDHN O=[N+]([O-])c1cnc(NC[C@H]2CCCN(Cc3cccs3)C2)c(Cl)c1 ZINC000301250297 1125075605 /nfs/dbraw/zinc/07/56/05/1125075605.db2.gz BDGXPWSHDLDWSQ-GFCCVEGCSA-N 0 3 366.874 4.029 20 5 FIBDHN CC(C)(CNC(=O)c1cc2ccccc2c2cccnc12)N1CCCCC1 ZINC000108107541 206027717 /nfs/dbraw/zinc/02/77/17/206027717.db2.gz HHXPVCMELWMSDE-UHFFFAOYSA-N 0 3 361.489 4.382 20 5 FIBDHN CC(C)[C@@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000584665112 567940637 /nfs/dbraw/zinc/94/06/37/567940637.db2.gz AENIFABBJYWNPJ-LAUBAEHRSA-N 0 3 368.433 4.340 20 5 FIBDHN Cc1c([C@@H](C)N[C@@H](C)COc2ccc(F)cc2F)cccc1[N+](=O)[O-] ZINC000481542360 568044414 /nfs/dbraw/zinc/04/44/14/568044414.db2.gz IVRBRXQILYOZND-WCQYABFASA-N 0 3 350.365 4.300 20 5 FIBDHN COc1ncc([C@H](C)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1Cl ZINC000568775802 568206836 /nfs/dbraw/zinc/20/68/36/568206836.db2.gz DMOROGQZWZMFDU-JTQLQIEISA-N 0 3 370.236 4.199 20 5 FIBDHN Cc1ccc([C@H](CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000482015567 568230739 /nfs/dbraw/zinc/23/07/39/568230739.db2.gz ZDUDICMFOURJDD-APWZRJJASA-N 0 3 357.454 4.292 20 5 FIBDHN CC[C@@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1c(C)noc1C ZINC000182412699 1125470466 /nfs/dbraw/zinc/47/04/66/1125470466.db2.gz OPIXEGXBILCLLL-MRXNPFEDSA-N 0 3 370.409 4.138 20 5 FIBDHN CCN(CC)[C@@H](CNc1ccc([N+](=O)[O-])c2cccnc12)c1ccco1 ZINC000078613026 1125577760 /nfs/dbraw/zinc/57/77/60/1125577760.db2.gz DJTRHHCQGGDXGG-KRWDZBQOSA-N 0 3 354.410 4.231 20 5 FIBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000619509968 1125602878 /nfs/dbraw/zinc/60/28/78/1125602878.db2.gz XYGWDYIQGYYTII-DOTOQJQBSA-N 0 3 353.422 4.007 20 5 FIBDHN O=[N+]([O-])c1cc2c(cc1CN[C@H]1C[C@H](c3cccc(Cl)c3)C1)OCCO2 ZINC000619551287 1125614282 /nfs/dbraw/zinc/61/42/82/1125614282.db2.gz UUJQBLLTVHTYBF-SAZUREKKSA-N 0 3 374.824 4.055 20 5 FIBDHN Cc1nccn1-c1ccc([C@@H](C)NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000183145584 1125757432 /nfs/dbraw/zinc/75/74/32/1125757432.db2.gz JROKICVXPIURIR-OAHLLOKOSA-N 0 3 350.422 4.248 20 5 FIBDHN COc1cc([N+](=O)[O-])ccc1CN(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000430222991 1080016849 /nfs/dbraw/zinc/01/68/49/1080016849.db2.gz VORPZRCIKYEFSH-PXNSSMCTSA-N 0 3 374.412 4.095 20 5 FIBDHN O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@H](Cc4ccccc4)C3)co2)cc1 ZINC000536365420 1081827739 /nfs/dbraw/zinc/82/77/39/1081827739.db2.gz JVJPJGLTQTVYMV-QGZVFWFLSA-N 0 3 363.417 4.314 20 5 FIBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H]2c3ccccc3C[C@@H]2O)s1 ZINC000119191417 1082008097 /nfs/dbraw/zinc/00/80/97/1082008097.db2.gz XCULHFGZAOGFNX-AZUAARDMSA-N 0 3 366.442 4.071 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000177938485 1082351930 /nfs/dbraw/zinc/35/19/30/1082351930.db2.gz PONYFEHYAQYRQN-SZNDQCEHSA-N 0 3 368.433 4.476 20 5 FIBDHN CN(CCc1ccc([N+](=O)[O-])cc1)Cc1csc(Br)c1 ZINC000064994439 1082723765 /nfs/dbraw/zinc/72/37/65/1082723765.db2.gz LHHZGMWLAFYPRM-UHFFFAOYSA-N 0 3 355.257 4.093 20 5 FIBDHN C[C@@H](NCCc1ccccc1[N+](=O)[O-])c1sccc1Br ZINC000548394910 1083224665 /nfs/dbraw/zinc/22/46/65/1083224665.db2.gz GBFXBZGRVFLRHC-SNVBAGLBSA-N 0 3 355.257 4.312 20 5 FIBDHN O=[N+]([O-])c1ccc(CCNCc2ccc(Sc3ccccn3)o2)cc1 ZINC000510872273 1083350809 /nfs/dbraw/zinc/35/08/09/1083350809.db2.gz NXHFRVPUJPKBMC-UHFFFAOYSA-N 0 3 355.419 4.066 20 5 FIBDHN CC(=O)c1ccc(NC[C@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000065202239 1083860484 /nfs/dbraw/zinc/86/04/84/1083860484.db2.gz KUYSPPCPVYOEKS-GOSISDBHSA-N 0 3 367.449 4.122 20 5 FIBDHN C[C@H](c1cccs1)N(CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000472440976 1083911287 /nfs/dbraw/zinc/91/12/87/1083911287.db2.gz SVKWOJKJJXQFDN-OAHLLOKOSA-N 0 3 356.451 4.116 20 5 FIBDHN Cc1cc([C@@H](N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C2CC2)ccc1F ZINC000539425927 1084561119 /nfs/dbraw/zinc/56/11/19/1084561119.db2.gz ZFPGDZAUUIEANV-DJJJIMSYSA-N 0 3 371.412 4.110 20 5 FIBDHN CC(=O)c1cc(N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)ccc1[N+](=O)[O-] ZINC000582459076 1084695091 /nfs/dbraw/zinc/69/50/91/1084695091.db2.gz WHFCURMRJIGRHD-XOBRGWDASA-N 0 3 355.438 4.209 20 5 FIBDHN Cc1ccn(-c2ccccc2CN[C@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000127586933 1084958005 /nfs/dbraw/zinc/95/80/05/1084958005.db2.gz VSNPGMLXZLVGMU-MRXNPFEDSA-N 0 3 350.422 4.248 20 5 FIBDHN CCN(CCn1cc([N+](=O)[O-])cn1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000472245323 1085442408 /nfs/dbraw/zinc/44/24/08/1085442408.db2.gz XBYZAUNCOGDRER-HXUWFJFHSA-N 0 3 368.412 4.042 20 5 FIBDHN C[C@@H](CN(C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1nccs1 ZINC000549545464 1085529334 /nfs/dbraw/zinc/52/93/34/1085529334.db2.gz VDRPMKKEGUVDHP-JTQLQIEISA-N 0 3 359.373 4.306 20 5 FIBDHN C[C@H](N[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1c(F)cncc1F ZINC000583515703 1086760866 /nfs/dbraw/zinc/76/08/66/1086760866.db2.gz PSQXFPLLBBYCEZ-GDZNZVCISA-N 0 3 361.392 4.330 20 5 FIBDHN Cc1cccc([C@H](C)N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000452083506 1088141902 /nfs/dbraw/zinc/14/19/02/1088141902.db2.gz JZAPIKHCYQIKHB-STQMWFEESA-N 0 3 361.829 4.234 20 5 FIBDHN COC[C@H](N[C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000513824951 1088453064 /nfs/dbraw/zinc/45/30/64/1088453064.db2.gz SWVKXLSRMQWSKD-SZMVWBNQSA-N 0 3 358.438 4.185 20 5 FIBDHN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC000511525355 1089436008 /nfs/dbraw/zinc/43/60/08/1089436008.db2.gz WDXIDABMTRZWBU-UHFFFAOYSA-N 0 3 368.412 4.189 20 5 FIBDHN O=[N+]([O-])c1ccccc1C[C@@H](NCc1csc(-c2ccco2)n1)C1CC1 ZINC000128397180 1090073723 /nfs/dbraw/zinc/07/37/23/1090073723.db2.gz BOSSMMVVSSRWLK-MRXNPFEDSA-N 0 3 369.446 4.422 20 5 FIBDHN CN(C)Cc1cc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)ccc1F ZINC000417310994 1090805492 /nfs/dbraw/zinc/80/54/92/1090805492.db2.gz LHBBKMBGQBYAKZ-OAQYLSRUSA-N 0 3 371.456 4.353 20 5 FIBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCc1ccc(OC(F)(F)F)cc1 ZINC000566474713 1090863056 /nfs/dbraw/zinc/86/30/56/1090863056.db2.gz IJBVHLFBGPDNTN-OAHLLOKOSA-N 0 3 352.312 4.271 20 5 FIBDHN O=[N+]([O-])c1cccc(OCCN2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000521276164 1092616361 /nfs/dbraw/zinc/61/63/61/1092616361.db2.gz WNEYQNWHCYFENU-HNNXBMFYSA-N 0 3 358.360 4.028 20 5 FIBDHN CO[C@@H]1CCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000443075203 1092934820 /nfs/dbraw/zinc/93/48/20/1092934820.db2.gz ZEEULPWEPKMUPR-QFBILLFUSA-N 0 3 369.465 4.362 20 5 FIBDHN CN(CCc1ccccc1O)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000573672742 1092957818 /nfs/dbraw/zinc/95/78/18/1092957818.db2.gz PXKMVPBLDURYIV-UHFFFAOYSA-N 0 3 352.390 4.235 20 5 FIBDHN COCCNc1ccc(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433114268 1093266442 /nfs/dbraw/zinc/26/64/42/1093266442.db2.gz FRISIRAGJCJODG-FQEVSTJZSA-N 0 3 369.465 4.165 20 5 FIBDHN COCCOc1cccc(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000433181501 1093382467 /nfs/dbraw/zinc/38/24/67/1093382467.db2.gz YDQHOQUSXVSSKC-FQEVSTJZSA-N 0 3 370.449 4.132 20 5 FIBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCc3cnn4ccccc34)s2)cc1 ZINC000512863893 1093453339 /nfs/dbraw/zinc/45/33/39/1093453339.db2.gz HMSKQFRFSZOTBV-UHFFFAOYSA-N 0 3 364.430 4.261 20 5 FIBDHN COCc1cc(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)ccc1F ZINC000433259855 1093503820 /nfs/dbraw/zinc/50/38/20/1093503820.db2.gz JWLLVMDCNQFXEQ-IBGZPJMESA-N 0 3 358.413 4.393 20 5 FIBDHN CC[C@H](N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1c(C)nn(C)c1C ZINC000433307258 1093572837 /nfs/dbraw/zinc/57/28/37/1093572837.db2.gz UUYNKWIHIUWXBB-ZWKOTPCHSA-N 0 3 356.470 4.408 20 5 FIBDHN C[C@@H](N[C@H](C)c1ccc(C2CC2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000419344868 1093711827 /nfs/dbraw/zinc/71/18/27/1093711827.db2.gz SKRBNRLOIMGUSO-ZIAGYGMSSA-N 0 3 353.422 4.150 20 5 FIBDHN CCC[C@H](NCc1ccc(N2CCCC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000151045912 1093877678 /nfs/dbraw/zinc/87/76/78/1093877678.db2.gz ZFMDFKHFDKWRBV-IBGZPJMESA-N 0 3 354.454 4.221 20 5 FIBDHN COc1ccc(OCCN[C@@H](C)c2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000467280774 1093951632 /nfs/dbraw/zinc/95/16/32/1093951632.db2.gz YMVJOQCSGZXAKD-ZDUSSCGKSA-N 0 3 356.378 4.079 20 5 FIBDHN C[C@@H](CNc1ccc([N+](=O)[O-])c2cccnc12)N1CCc2sccc2C1 ZINC000025500275 1094326708 /nfs/dbraw/zinc/32/67/08/1094326708.db2.gz ODMIYKOQASMKFE-ZDUSSCGKSA-N 0 3 368.462 4.063 20 5 FIBDHN CC[C@@H](C)N[C@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)c1ccco1 ZINC000413285494 1094863095 /nfs/dbraw/zinc/86/30/95/1094863095.db2.gz XBJOCXNUMPVNFO-ZWNOBZJWSA-N 0 3 372.347 4.143 20 5 FIBDHN O=C(CN[C@H](c1ccccc1)C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000533386801 1099015269 /nfs/dbraw/zinc/01/52/69/1099015269.db2.gz XMRXEAQVBSKUPP-HXUWFJFHSA-N 0 3 353.422 4.054 20 5 FIBDHN CC[C@](C)(COc1ncccc1Cl)NCc1csc([N+](=O)[O-])c1 ZINC000533534485 1099135652 /nfs/dbraw/zinc/13/56/52/1099135652.db2.gz WZNNGDMYWBDEGN-OAHLLOKOSA-N 0 3 355.847 4.042 20 5 FIBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C)c1ccncc1OC ZINC000437071910 1099590738 /nfs/dbraw/zinc/59/07/38/1099590738.db2.gz IZGUOVIVFRAJHZ-KGLIPLIRSA-N 0 3 361.467 4.220 20 5 FIBDHN CN(C)Cc1ccc(-c2noc(C(C)(C)c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000426417835 1101535583 /nfs/dbraw/zinc/53/55/83/1101535583.db2.gz UCANZAHTQMUDQY-UHFFFAOYSA-N 0 3 366.421 4.032 20 5 FIBDHN Cc1ccccc1[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000537291235 1101610030 /nfs/dbraw/zinc/61/00/30/1101610030.db2.gz OBSNTELPUDBOPS-YWZLYKJASA-N 0 3 367.449 4.280 20 5 FIBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC1(c2cccc(Cl)c2)CC1 ZINC000537451843 1101801722 /nfs/dbraw/zinc/80/17/22/1101801722.db2.gz ZQMIGDBKIVWFBQ-CYBMUJFWSA-N 0 3 373.840 4.244 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCNC1(c2cccc(Cl)c2)CC1 ZINC000538213832 1104037292 /nfs/dbraw/zinc/03/72/92/1104037292.db2.gz AKPVNTCEPBPHQO-UHFFFAOYSA-N 0 3 373.840 4.164 20 5 FIBDHN Cc1ccccc1[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000538258787 1104081866 /nfs/dbraw/zinc/08/18/66/1104081866.db2.gz IZYVJZQNKRQQBX-IBGZPJMESA-N 0 3 355.438 4.219 20 5 FIBDHN CC[C@@H](NCc1cccc(Cn2cccn2)c1)c1cccc([N+](=O)[O-])c1 ZINC000129463701 1104152807 /nfs/dbraw/zinc/15/28/07/1104152807.db2.gz PXAZMOJEOUPKSC-HXUWFJFHSA-N 0 3 350.422 4.081 20 5 FIBDHN COc1cc(CN[C@H]2CCC23CCCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000451462822 1107117227 /nfs/dbraw/zinc/11/72/27/1107117227.db2.gz 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CC[C@@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)OCCO2 ZINC000447546453 1109574974 /nfs/dbraw/zinc/57/49/74/1109574974.db2.gz WAGCQGSBLBPLAD-RTBURBONSA-N 0 3 368.433 4.484 20 5 FIBDHN COCC1(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCC1 ZINC000449740420 1110160668 /nfs/dbraw/zinc/16/06/68/1110160668.db2.gz FZGXCHLKYMAUFS-UHFFFAOYSA-N 0 3 361.467 4.015 20 5 FIBDHN O=[N+]([O-])c1cc(CN2CC[C@@H](CCCO)C2)ccc1Oc1ccc(F)cc1 ZINC000449790868 1110172914 /nfs/dbraw/zinc/17/29/14/1110172914.db2.gz MOTSLOFUOLOPSG-OAHLLOKOSA-N 0 3 374.412 4.121 20 5 FIBDHN Cc1c(CN[C@H](C)CC(=O)Nc2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000478496066 1111794169 /nfs/dbraw/zinc/79/41/69/1111794169.db2.gz WZRPRYDOBHDCSG-GFCCVEGCSA-N 0 3 361.829 4.064 20 5 FIBDHN CC[C@H](C)c1nnc([C@H](C)[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])[n-]1 ZINC000488465577 1113937333 /nfs/dbraw/zinc/93/73/33/1113937333.db2.gz OQCXOGPXHMWQOL-MPTYRVRUSA-N 0 3 371.485 4.288 20 5 FIBDHN COc1cc(CNCCC2=CCCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491054622 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Cc1ccc2[nH]c([C@@H]3CCCN(Cc4cccc([N+](=O)[O-])c4)C3)nc2c1 ZINC000534951696 1116255366 /nfs/dbraw/zinc/25/53/66/1116255366.db2.gz HPLBRGIJYSNIBI-MRXNPFEDSA-N 0 3 350.422 4.159 20 5 FIBDHN O=[N+]([O-])c1ccc(-c2nnc(CN[C@H]3CCCCC34CCCC4)o2)cc1 ZINC000463437998 1118156931 /nfs/dbraw/zinc/15/69/31/1118156931.db2.gz HAXOIWWEXLYMIA-INIZCTEOSA-N 0 3 356.426 4.237 20 5 FIBDHN O=[N+]([O-])c1ccc(CN(Cc2ccccc2)[C@H](CO)C2CC2)cc1Cl ZINC000761535850 1119414593 /nfs/dbraw/zinc/41/45/93/1119414593.db2.gz ZWVISJFEWRZLEN-LJQANCHMSA-N 0 3 360.841 4.021 20 5 FIBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H]2C[C@H](c3ccc(F)cc3)C2)c1 ZINC000556895011 1123172688 /nfs/dbraw/zinc/17/26/88/1123172688.db2.gz FQHKGYLNJOODQZ-NNUKFRKNSA-N 0 3 366.339 4.371 20 5 FIBDHN O=[N+]([O-])c1ccc(OCCCN2CCC(Oc3ccc(F)cc3)CC2)cc1 ZINC000609672557 1123790150 /nfs/dbraw/zinc/79/01/50/1123790150.db2.gz OKHXFZQVTLEYOP-UHFFFAOYSA-N 0 3 374.412 4.046 20 5 FIBDHN Cc1ccc(C)c(OC2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000064632415 1123875611 /nfs/dbraw/zinc/87/56/11/1123875611.db2.gz LLYGCONZQBFKMJ-UHFFFAOYSA-N 0 3 354.450 4.298 20 5 FIBDHN CCN(CC)[C@H](CNc1ncc([N+](=O)[O-])cc1Cl)c1ccsc1 ZINC000609891837 1123880648 /nfs/dbraw/zinc/88/06/48/1123880648.db2.gz ZPIWECXYLNPZLR-CQSZACIVSA-N 0 3 354.863 4.200 20 5 FIBDHN Cc1nn(C)cc1[C@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000237568633 1123980545 /nfs/dbraw/zinc/98/05/45/1123980545.db2.gz NQVCGLZXHQEIJP-LBPRGKRZSA-N 0 3 356.451 4.216 20 5 FIBDHN COc1ccc2c(c1)OCC[C@H]2NC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000615723996 1124109006 /nfs/dbraw/zinc/10/90/06/1124109006.db2.gz HCYFRNSDUBATAZ-LMICACPXSA-N 0 3 354.406 4.120 20 5 FIBDHN CCCN(Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000542929384 1124889639 /nfs/dbraw/zinc/88/96/39/1124889639.db2.gz XXMRHQDFCSIWCI-DJIMGWMZSA-N 0 3 352.862 4.274 20 5 FIBDHN COc1cc(CN(CC(C)C)CC(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000058754388 205278563 /nfs/dbraw/zinc/27/85/63/205278563.db2.gz APAZLPSQJMNTTF-UHFFFAOYSA-N 0 3 360.401 4.319 20 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ZINC000126404844 1082447310 /nfs/dbraw/zinc/44/73/10/1082447310.db2.gz ISZCWVRLDPTKER-LJQANCHMSA-N 0 3 365.437 4.115 20 5 FIBDHN CC[C@@H](C)N[C@@H](CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)c1ccco1 ZINC000477188406 1082744758 /nfs/dbraw/zinc/74/47/58/1082744758.db2.gz NEHQFZSOPXTWBN-HIFRSBDPSA-N 0 3 374.441 4.056 20 5 FIBDHN CC(C)[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000161035107 1082913690 /nfs/dbraw/zinc/91/36/90/1082913690.db2.gz SBTWILAJDNIOQM-VLIAUNLRSA-N 0 3 356.422 4.414 20 5 FIBDHN CCOc1ccc([C@H](C)NCc2ccc(-n3ccnc3)cc2)cc1[N+](=O)[O-] ZINC000179409734 1083453370 /nfs/dbraw/zinc/45/33/70/1083453370.db2.gz YCWSUBIZCIOWNF-HNNXBMFYSA-N 0 3 366.421 4.030 20 5 FIBDHN Cc1ccc([C@@H](C)NCCC(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000411470045 1083781161 /nfs/dbraw/zinc/78/11/61/1083781161.db2.gz BJWUUBSPUKSVIZ-CYBMUJFWSA-N 0 3 361.829 4.236 20 5 FIBDHN CC[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000411877552 1083916949 /nfs/dbraw/zinc/91/69/49/1083916949.db2.gz DELLUAKMEQHAOT-BLLLJJGKSA-N 0 3 361.829 4.316 20 5 FIBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1ccccc1OCC(F)(F)F ZINC000511104127 1084916962 /nfs/dbraw/zinc/91/69/62/1084916962.db2.gz GOXUVLYGLQFUTA-UHFFFAOYSA-N 0 3 368.355 4.210 20 5 FIBDHN Cc1noc(C)c1CCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180500757 1087942111 /nfs/dbraw/zinc/94/21/11/1087942111.db2.gz TVKRLSDJPUKXJJ-FQEVSTJZSA-N 0 3 351.406 4.121 20 5 FIBDHN CCOc1ccc([C@H](C)NCCOc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000504899373 1087956020 /nfs/dbraw/zinc/95/60/20/1087956020.db2.gz FTBWTQCSQHORAN-LBPRGKRZSA-N 0 3 366.364 4.001 20 5 FIBDHN CCOc1ccc([C@@H](C)NCCOc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000504899372 1087971584 /nfs/dbraw/zinc/97/15/84/1087971584.db2.gz FTBWTQCSQHORAN-GFCCVEGCSA-N 0 3 366.364 4.001 20 5 FIBDHN C[C@@H]1[C@H](c2ccccc2)CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000177533115 1088358136 /nfs/dbraw/zinc/35/81/36/1088358136.db2.gz IBJIODAFLRSHSQ-RDTXWAMCSA-N 0 3 364.405 4.023 20 5 FIBDHN C[C@H](c1ccccc1)[C@H](C)N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000181529939 1088924603 /nfs/dbraw/zinc/92/46/03/1088924603.db2.gz UXLQUZYWNYJVDB-KKUMJFAQSA-N 0 3 366.421 4.488 20 5 FIBDHN Cc1ccn(C2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)n1 ZINC000435058489 1089244836 /nfs/dbraw/zinc/24/48/36/1089244836.db2.gz TYIAEAWBWJTVTR-UHFFFAOYSA-N 0 3 366.421 4.197 20 5 FIBDHN Cc1ccccc1[C@@H]1C[C@H](C)N(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000435056116 1089245613 /nfs/dbraw/zinc/24/56/13/1089245613.db2.gz LQFPXQCFBUCPMO-LSDHHAIUSA-N 0 3 351.406 4.422 20 5 FIBDHN C[C@H](N[C@H]1CCCCc2ccc([N+](=O)[O-])cc21)c1ccc(NC(N)=O)cc1 ZINC000417302706 1090791801 /nfs/dbraw/zinc/79/18/01/1090791801.db2.gz CTCUSBFANJFCRH-DJJJIMSYSA-N 0 3 368.437 4.204 20 5 FIBDHN CCOc1cc(Nc2cccc3c2OCC[C@H]3N(C)C)ccc1[N+](=O)[O-] ZINC000432929247 1092962935 /nfs/dbraw/zinc/96/29/35/1092962935.db2.gz QGFUHJIMJXWUQF-MRXNPFEDSA-N 0 3 357.410 4.122 20 5 FIBDHN CC1(C)C[C@@H](NCc2ccccc2-n2cccn2)c2cc([N+](=O)[O-])ccc21 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FIBDHN COc1ccccc1[C@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC001167331821 1081451673 /nfs/dbraw/zinc/45/16/73/1081451673.db2.gz ATXLVVNPLRXNLZ-LJQANCHMSA-N 0 3 356.422 4.209 20 5 FIBDHN C[C@H]1C[C@H](c2ccc(F)cc2)CN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083199343 1081547775 /nfs/dbraw/zinc/54/77/75/1081547775.db2.gz JVORSEZERNLEFY-JSGCOSHPSA-N 0 3 355.369 4.253 20 5 FIBDHN Cc1ccc([C@H](C)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1[N+](=O)[O-] ZINC000177937995 1082352181 /nfs/dbraw/zinc/35/21/81/1082352181.db2.gz UEBCEEPWWVSXAQ-QKKBWIMNSA-N 0 3 368.433 4.476 20 5 FIBDHN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000178020511 1082589993 /nfs/dbraw/zinc/58/99/93/1082589993.db2.gz CHSUERDYNBHYNT-CABCVRRESA-N 0 3 356.422 4.476 20 5 FIBDHN O=[N+]([O-])c1ccc2oc(CN3CCC[C@@H]3CCc3ccccc3)nc2c1 ZINC000610581206 1083210387 /nfs/dbraw/zinc/21/03/87/1083210387.db2.gz NEZBEDLYAQGWMM-MRXNPFEDSA-N 0 3 351.406 4.333 20 5 FIBDHN Cc1ccc([C@H](C)N[C@@H](Cc2nccn2C)c2ccccc2)cc1[N+](=O)[O-] ZINC000610827834 1083743532 /nfs/dbraw/zinc/74/35/32/1083743532.db2.gz CSZYGYBBVZHJNN-LPHOPBHVSA-N 0 3 364.449 4.271 20 5 FIBDHN CSc1ccccc1NC(=O)CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000411472294 1083775265 /nfs/dbraw/zinc/77/52/65/1083775265.db2.gz HCUVRMJSHQKZPZ-AWEZNQCLSA-N 0 3 373.478 4.305 20 5 FIBDHN CC[C@@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000411877553 1083917350 /nfs/dbraw/zinc/91/73/50/1083917350.db2.gz DELLUAKMEQHAOT-MLGOLLRUSA-N 0 3 361.829 4.316 20 5 FIBDHN COc1cc(CN2CCCCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538824768 1084211251 /nfs/dbraw/zinc/21/12/51/1084211251.db2.gz KEWHWERKONBRAB-UHFFFAOYSA-N 0 3 356.422 4.168 20 5 FIBDHN CC[C@@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(C)cc1 ZINC000540354583 1084786844 /nfs/dbraw/zinc/78/68/44/1084786844.db2.gz OFOAPPRGGYIPMP-NVXWUHKLSA-N 0 3 355.438 4.280 20 5 FIBDHN C[C@@H](NCc1cccc(COC2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178655537 1085679469 /nfs/dbraw/zinc/67/94/69/1085679469.db2.gz YEBKFSKOXKMDAT-MRXNPFEDSA-N 0 3 370.449 4.141 20 5 FIBDHN O=[N+]([O-])c1cc(CN2CCC[C@@H]2CCc2ccccc2)c2c(c1)COCO2 ZINC000052106017 1086205257 /nfs/dbraw/zinc/20/52/57/1086205257.db2.gz VOTVCVUJSFQRSS-LJQANCHMSA-N 0 3 368.433 4.059 20 5 FIBDHN O=[N+]([O-])c1ccccc1C[C@@H](NCc1cn2cc(Cl)ccc2n1)C1CC1 ZINC000480332951 1087386522 /nfs/dbraw/zinc/38/65/22/1087386522.db2.gz UKZMEDHMZFLCJU-QGZVFWFLSA-N 0 3 370.840 4.007 20 5 FIBDHN CCS[C@H]1CCCC[C@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000189496199 1088485703 /nfs/dbraw/zinc/48/57/03/1088485703.db2.gz XGIVWKKVJKMGCZ-SJORKVTESA-N 0 3 361.467 4.404 20 5 FIBDHN O=C(NC[C@@H]1CCCCN1C1CC1)c1cc2ccccc2c2cccnc12 ZINC000434422130 1088612299 /nfs/dbraw/zinc/61/22/99/1088612299.db2.gz PAHMLRILYVNODF-SFHVURJKSA-N 0 3 359.473 4.135 20 5 FIBDHN C[C@@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC(F)(F)F ZINC000414534534 1088817886 /nfs/dbraw/zinc/81/78/86/1088817886.db2.gz WRWKNNLCYNDPDI-SNVBAGLBSA-N 0 3 359.373 4.396 20 5 FIBDHN Cc1ccc(C(C)C)c(Oc2ccc(CN[C@@H](C)CO)cc2[N+](=O)[O-])c1 ZINC000236741043 1089191964 /nfs/dbraw/zinc/19/19/64/1089191964.db2.gz OVOLXTADKRACJY-HNNXBMFYSA-N 0 3 358.438 4.289 20 5 FIBDHN C[C@H]1[C@H](Cc2ccccc2)CCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000435039233 1089214993 /nfs/dbraw/zinc/21/49/93/1089214993.db2.gz CQVYDKANKNFWMC-HOCLYGCPSA-N 0 3 351.406 4.189 20 5 FIBDHN C[C@H]1[C@@H](Cc2ccccc2)CCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000435039232 1089215998 /nfs/dbraw/zinc/21/59/98/1089215998.db2.gz CQVYDKANKNFWMC-GOEBONIOSA-N 0 3 351.406 4.189 20 5 FIBDHN CC[C@@H]1CC[C@H](C)N1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000505598204 1089253447 /nfs/dbraw/zinc/25/34/47/1089253447.db2.gz YFWQYFLPUIDPEP-WCQYABFASA-N 0 3 358.385 4.010 20 5 FIBDHN CCc1nc2cc(CNCc3ccc([N+](=O)[O-])cc3C)ccc2n1C1CC1 ZINC000549248886 1089411308 /nfs/dbraw/zinc/41/13/08/1089411308.db2.gz AKDKTKUUSVWORK-UHFFFAOYSA-N 0 3 364.449 4.440 20 5 FIBDHN COc1cccc(F)c1[C@H](C)NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000122529011 1089478305 /nfs/dbraw/zinc/47/83/05/1089478305.db2.gz MASZWZLRCGFHOV-AWEZNQCLSA-N 0 3 373.428 4.062 20 5 FIBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccnc(N3CCCC3)c1)CCCC2 ZINC000417324632 1090815300 /nfs/dbraw/zinc/81/53/00/1090815300.db2.gz QCQIRNFGVMAQRX-FQEVSTJZSA-N 0 3 366.465 4.147 20 5 FIBDHN CCOc1cc(NC2CCN([C@@H](C)c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000092687357 1091092555 /nfs/dbraw/zinc/09/25/55/1091092555.db2.gz FXCRTMSZKSPNTM-HNNXBMFYSA-N 0 3 370.453 4.026 20 5 FIBDHN O=[N+]([O-])c1ccc(CN(C[C@H](O)c2ccc(Cl)c(F)c2)C2CC2)cc1 ZINC000759854457 1091337349 /nfs/dbraw/zinc/33/73/49/1091337349.db2.gz XHSNFIRPTVRCHS-SFHVURJKSA-N 0 3 364.804 4.085 20 5 FIBDHN C[C@H](CN(C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)c1ccccc1 ZINC000728900142 1091814729 /nfs/dbraw/zinc/81/47/29/1091814729.db2.gz FPPGFAHZUZMPLD-MRXNPFEDSA-N 0 3 350.422 4.151 20 5 FIBDHN COc1cc(CN2CCC[C@H]2CC(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000500454805 1092089897 /nfs/dbraw/zinc/08/98/97/1092089897.db2.gz FDNVORMZWVNPIP-ZDUSSCGKSA-N 0 3 358.385 4.215 20 5 FIBDHN Cc1cc(NC[C@H]2CCO[C@@H]2c2ccccc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000428222722 1092273245 /nfs/dbraw/zinc/27/32/45/1092273245.db2.gz ULHCYYXFWYUHDQ-IIBYNOLFSA-N 0 3 363.417 4.063 20 5 FIBDHN CN(CCSc1ccc2ncccc2c1[N+](=O)[O-])Cc1ccccc1 ZINC000432915037 1092939306 /nfs/dbraw/zinc/93/93/06/1092939306.db2.gz CMAVCWPNMJHPQT-UHFFFAOYSA-N 0 3 353.447 4.367 20 5 FIBDHN COCC[C@H]1CCCCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000467272170 1093389740 /nfs/dbraw/zinc/38/97/40/1093389740.db2.gz YTLIWWJUVFVXAK-MRXNPFEDSA-N 0 3 350.459 4.021 20 5 FIBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000429964883 1093684656 /nfs/dbraw/zinc/68/46/56/1093684656.db2.gz CHRYLJAFDLHOCE-BEFAXECRSA-N 0 3 370.453 4.025 20 5 FIBDHN O=[N+]([O-])c1cc(CN[C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)cs1 ZINC000513059987 1093712415 /nfs/dbraw/zinc/71/24/15/1093712415.db2.gz YAVZWDMFWMQITC-LSDHHAIUSA-N 0 3 354.378 4.024 20 5 FIBDHN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000513507435 1094168688 /nfs/dbraw/zinc/16/86/88/1094168688.db2.gz ULDFIWMOTBZTDR-GQGSAGHOSA-N 0 3 352.862 4.010 20 5 FIBDHN CN(C)[C@H]1CCOc2c(Nc3nccc4ccc([N+](=O)[O-])cc43)cccc21 ZINC000413267230 1094835640 /nfs/dbraw/zinc/83/56/40/1094835640.db2.gz MXYXNXBCTFHYSI-SFHVURJKSA-N 0 3 364.405 4.272 20 5 FIBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](C2CCCC2)C1 ZINC000420959451 1095199725 /nfs/dbraw/zinc/19/97/25/1095199725.db2.gz DZJFBIIEDPQCMH-CJNGLKHVSA-N 0 3 356.426 4.218 20 5 FIBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](C2CCCC2)C1 ZINC000420959449 1095200565 /nfs/dbraw/zinc/20/05/65/1095200565.db2.gz DZJFBIIEDPQCMH-BBRMVZONSA-N 0 3 356.426 4.218 20 5 FIBDHN CCCn1nccc1C1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000502314473 1095364250 /nfs/dbraw/zinc/36/42/50/1095364250.db2.gz UKHKDGFTHBUALV-SAPNQHFASA-N 0 3 368.481 4.484 20 5 FIBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000502342896 1095378424 /nfs/dbraw/zinc/37/84/24/1095378424.db2.gz DGKBNSLFCIGBPF-MTIYJEKLSA-N 0 3 366.465 4.020 20 5 FIBDHN O=C(CN[C@@H](c1ccccc1)C1CCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000533368132 1098999351 /nfs/dbraw/zinc/99/93/51/1098999351.db2.gz QHGJHEFSPGBHCW-IBGZPJMESA-N 0 3 373.840 4.318 20 5 FIBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(CN(C)C)ccc1C ZINC000120736601 1101335185 /nfs/dbraw/zinc/33/51/85/1101335185.db2.gz STOPDBRRFHIKMR-UHFFFAOYSA-N 0 3 373.478 4.329 20 5 FIBDHN CC(C)(C)C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000537078161 1101443751 /nfs/dbraw/zinc/44/37/51/1101443751.db2.gz UUOXDOAWSNPZED-QGZVFWFLSA-N 0 3 355.438 4.300 20 5 FIBDHN C[C@@H](CN(C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000532516305 1102450036 /nfs/dbraw/zinc/45/00/36/1102450036.db2.gz QZGNBCXYGIUYSK-LSDHHAIUSA-N 0 3 366.421 4.441 20 5 FIBDHN Cn1ncc2c1CCC[C@H]2NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000237815740 1102944527 /nfs/dbraw/zinc/94/45/27/1102944527.db2.gz ULLGVSUGSZFTFT-MRXNPFEDSA-N 0 3 368.462 4.224 20 5 FIBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H](CO)c1cccc(Cl)c1F ZINC000467411866 1103835944 /nfs/dbraw/zinc/83/59/44/1103835944.db2.gz FTQBXMMACAJYLD-LRDDRELGSA-N 0 3 366.820 4.032 20 5 FIBDHN O=[N+]([O-])c1cccc(OCCN[C@@H](CC(F)(F)F)c2ccccc2)c1 ZINC000538175870 1104010429 /nfs/dbraw/zinc/01/04/29/1104010429.db2.gz GQOTXZWIRCGRJU-INIZCTEOSA-N 0 3 354.328 4.257 20 5 FIBDHN O=[N+]([O-])c1ccc(OCCN[C@H](CC(F)(F)F)c2ccccc2)cc1 ZINC000538178030 1104011481 /nfs/dbraw/zinc/01/14/81/1104011481.db2.gz NXERKOSOAGBPQL-MRXNPFEDSA-N 0 3 354.328 4.257 20 5 FIBDHN CCC[C@@H](NCc1cccc(Cn2cccn2)c1)c1cccc([N+](=O)[O-])c1 ZINC000129445427 1104068059 /nfs/dbraw/zinc/06/80/59/1104068059.db2.gz XYQLYZZBROYHEW-OAQYLSRUSA-N 0 3 364.449 4.471 20 5 FIBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C[C@@H]1CCCO1)C1CCCC1 ZINC000441445858 1104732164 /nfs/dbraw/zinc/73/21/64/1104732164.db2.gz WWVHKACIFVOBEH-IBGZPJMESA-N 0 3 362.470 4.306 20 5 FIBDHN C[C@]1(O)CCCC[C@H]1[C@@H]1CCCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000450958331 1106843009 /nfs/dbraw/zinc/84/30/09/1106843009.db2.gz MVSKJDFDIGYJGA-WBAXXEDZSA-N 0 3 352.862 4.154 20 5 FIBDHN C[C@@H](N[C@H](C)c1cccc(C2CC2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451113893 1106928444 /nfs/dbraw/zinc/92/84/44/1106928444.db2.gz LFIUKTRETVONJA-ZIAGYGMSSA-N 0 3 353.422 4.150 20 5 FIBDHN Cc1ccnc(NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)c1[N+](=O)[O-] ZINC000302227215 1107344357 /nfs/dbraw/zinc/34/43/57/1107344357.db2.gz UHACOQWJIHNWLP-AWEZNQCLSA-N 0 3 368.359 4.032 20 5 FIBDHN COc1cc(CNCC2(C)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000530968366 1107434776 /nfs/dbraw/zinc/43/47/76/1107434776.db2.gz WLYZPVDUMBNFKH-UHFFFAOYSA-N 0 3 356.422 4.072 20 5 FIBDHN COCc1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000531333816 1107777049 /nfs/dbraw/zinc/77/70/49/1107777049.db2.gz NHAGRSZXSLVPPM-SFHVURJKSA-N 0 3 363.845 4.109 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H](c1c(F)cccc1F)N(C)C ZINC000532222257 1108719930 /nfs/dbraw/zinc/71/99/30/1108719930.db2.gz HCQBABULQQCXAR-ACJLOTCBSA-N 0 3 363.408 4.135 20 5 FIBDHN Cc1ccc(NC(=O)C[C@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000449347895 1110036832 /nfs/dbraw/zinc/03/68/32/1110036832.db2.gz JNRARWILLQJSKZ-HOTGVXAUSA-N 0 3 355.438 4.280 20 5 FIBDHN O=[N+]([O-])c1cc(CN2CC[C@H](CCCO)C2)ccc1Oc1ccc(F)cc1 ZINC000449790867 1110172848 /nfs/dbraw/zinc/17/28/48/1110172848.db2.gz MOTSLOFUOLOPSG-HNNXBMFYSA-N 0 3 374.412 4.121 20 5 FIBDHN Cc1cc([C@@H](N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C2CC2)ccc1F ZINC000538321073 1111089840 /nfs/dbraw/zinc/08/98/40/1111089840.db2.gz XWRWPSOPSVOHSB-DJJJIMSYSA-N 0 3 371.412 4.110 20 5 FIBDHN Cc1cc([C@H](N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C2CC2)ccc1F ZINC000538323546 1111091274 /nfs/dbraw/zinc/09/12/74/1111091274.db2.gz PTPNVMZVGNURSJ-BFUOFWGJSA-N 0 3 371.412 4.110 20 5 FIBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC(OCC3CC3)CC2)o1 ZINC000538752511 1111282287 /nfs/dbraw/zinc/28/22/87/1111282287.db2.gz RLPCKGGDXXJVHN-UHFFFAOYSA-N 0 3 356.422 4.246 20 5 FIBDHN CC(C)N(CCn1ccc([N+](=O)[O-])n1)Cc1ccc(Cl)c(Cl)c1 ZINC000478429244 1111774313 /nfs/dbraw/zinc/77/43/13/1111774313.db2.gz CMWZDCQZSOFUCH-UHFFFAOYSA-N 0 3 357.241 4.009 20 5 FIBDHN CC1(C)CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000553991265 1112153971 /nfs/dbraw/zinc/15/39/71/1112153971.db2.gz GVYASBISHOAKJE-KRWDZBQOSA-N 0 3 359.451 4.068 20 5 FIBDHN COc1ccccc1SC[C@@H](C)CNCc1ccc([N+](=O)[O-])cc1F ZINC000479985121 1112219952 /nfs/dbraw/zinc/21/99/52/1112219952.db2.gz AIOKHCFGGNKDQS-ZDUSSCGKSA-N 0 3 364.442 4.261 20 5 FIBDHN Cc1ccc([C@H](C)N[C@@H](CN2CCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000480282592 1112373062 /nfs/dbraw/zinc/37/30/62/1112373062.db2.gz XLMXYIKAELHJDX-PXNSSMCTSA-N 0 3 353.466 4.391 20 5 FIBDHN Cc1c(CNCc2c[nH]nc2-c2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000480454012 1112430273 /nfs/dbraw/zinc/43/02/73/1112430273.db2.gz GNIJCKBGPKEAKI-UHFFFAOYSA-N 0 3 356.813 4.237 20 5 FIBDHN CCC[C@@H](NCc1ccc(N(CC)CC)nc1)c1cccc([N+](=O)[O-])c1 ZINC000480894134 1112659352 /nfs/dbraw/zinc/65/93/52/1112659352.db2.gz DMIXYEXQIOCOKZ-LJQANCHMSA-N 0 3 356.470 4.467 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](CC1CCC1)c1ccccc1 ZINC000481286267 1112858022 /nfs/dbraw/zinc/85/80/22/1112858022.db2.gz OLTQEGIRDRDKLU-FQEVSTJZSA-N 0 3 367.449 4.363 20 5 FIBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000600204816 1112927531 /nfs/dbraw/zinc/92/75/31/1112927531.db2.gz LZUDGTCHKUEPLT-UHFFFAOYSA-N 0 3 370.453 4.008 20 5 FIBDHN COc1cc(CN[C@H]2CCC[C@H]2F)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000555645138 1112956058 /nfs/dbraw/zinc/95/60/58/1112956058.db2.gz RBEVZOGDYFWBMC-MSOLQXFVSA-N 0 3 374.412 4.163 20 5 FIBDHN Cc1ccc([C@@H](C)NC[C@@H](c2c(F)cccc2F)N(C)C)cc1[N+](=O)[O-] ZINC000483138247 1113446136 /nfs/dbraw/zinc/44/61/36/1113446136.db2.gz AFABCVAEVSFIGI-ACJLOTCBSA-N 0 3 363.408 4.135 20 5 FIBDHN COc1cc(C[NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)c([N+](=O)[O-])cc1[O-] ZINC000486863018 1113663017 /nfs/dbraw/zinc/66/30/17/1113663017.db2.gz BRQFUEXOBWBGOF-DOTOQJQBSA-N 0 3 356.422 4.125 20 5 FIBDHN Cc1c(F)cccc1NC(=O)CCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490816924 1114338011 /nfs/dbraw/zinc/33/80/11/1114338011.db2.gz FJSXHARCYKFTDN-UHFFFAOYSA-N 0 3 371.412 4.036 20 5 FIBDHN Cc1ccccc1C(C)(C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000590192642 1114905640 /nfs/dbraw/zinc/90/56/40/1114905640.db2.gz LQDALATVGKGOSO-UHFFFAOYSA-N 0 3 361.829 4.020 20 5 FIBDHN C[C@@H](N[C@@H](C)c1cccc2ccccc21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000057555216 1114949304 /nfs/dbraw/zinc/94/93/04/1114949304.db2.gz KAOXWIWKBMVVBN-LSDHHAIUSA-N 0 3 363.417 4.426 20 5 FIBDHN C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)[C@@H]2CCCC[C@@H]21 ZINC001168400987 1115107387 /nfs/dbraw/zinc/10/73/87/1115107387.db2.gz GMKAWOOGORHIOG-MRVWCRGKSA-N 0 3 353.260 4.368 20 5 FIBDHN Cc1nccn1-c1ccc([C@H](C)N[C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000594496647 1115449661 /nfs/dbraw/zinc/44/96/61/1115449661.db2.gz QEIZNYIRCLSUSF-XOBRGWDASA-N 0 3 362.433 4.427 20 5 FIBDHN O=[N+]([O-])c1cc(F)ccc1CN[C@@H](CN1CCCCC1)c1ccccc1 ZINC000595425704 1115535323 /nfs/dbraw/zinc/53/53/23/1115535323.db2.gz KJPNEQXRIZOKLB-IBGZPJMESA-N 0 3 357.429 4.051 20 5 FIBDHN O=[N+]([O-])c1ccc(-c2nnc(CN[C@@H]3CCCC34CCCCC4)o2)cc1 ZINC000595606223 1115553052 /nfs/dbraw/zinc/55/30/52/1115553052.db2.gz VJDGPHMIWTWZPU-MRXNPFEDSA-N 0 3 356.426 4.237 20 5 FIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CO[C@@H](C4CC4)C3)o2)c(Cl)c1 ZINC000599008184 1115776507 /nfs/dbraw/zinc/77/65/07/1115776507.db2.gz VOKFCENJWBBZIA-KPZWWZAWSA-N 0 3 362.813 4.165 20 5 FIBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(c2ccc3cccnc3n2)CC1 ZINC000594020135 1115962217 /nfs/dbraw/zinc/96/22/17/1115962217.db2.gz VOULUOXXSVGLOT-OAHLLOKOSA-N 0 3 362.433 4.479 20 5 FIBDHN CN(Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C[C@@H]1CCC[C@H]1O ZINC000539912644 1117749568 /nfs/dbraw/zinc/74/95/68/1117749568.db2.gz FFFUGWPMAHLDCP-HNAYVOBHSA-N 0 3 374.412 4.119 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(NC(=O)C(C)C)cc1 ZINC000540119757 1117880463 /nfs/dbraw/zinc/88/04/63/1117880463.db2.gz QVGBJDHLWYMMSG-OAHLLOKOSA-N 0 3 355.438 4.349 20 5 FIBDHN Cc1ccc([C@@H](C)NCCOc2cccc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000540151279 1117906273 /nfs/dbraw/zinc/90/62/73/1117906273.db2.gz MFGLPGAYUKKTNX-GFCCVEGCSA-N 0 3 369.343 4.047 20 5 FIBDHN C[C@@H](NCCOc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000540375747 1118011046 /nfs/dbraw/zinc/01/10/46/1118011046.db2.gz JSRNMZMDVOCAIJ-GFCCVEGCSA-N 0 3 365.227 4.087 20 5 FIBDHN C[C@@H](c1ccccc1)N(CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000463233148 1118054438 /nfs/dbraw/zinc/05/44/38/1118054438.db2.gz XJRTZTJLCHNEMF-KRWDZBQOSA-N 0 3 350.422 4.055 20 5 FIBDHN CCS[C@@H]1CC[C@H](N(C)Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000464780444 1118692232 /nfs/dbraw/zinc/69/22/32/1118692232.db2.gz SUFHBRFYLZMNSO-DOTOQJQBSA-N 0 3 352.500 4.488 20 5 FIBDHN Cc1ccc(CCN(Cc2ccccc2[N+](=O)[O-])C[C@H]2CCCO2)cc1 ZINC000464782559 1118693393 /nfs/dbraw/zinc/69/33/93/1118693393.db2.gz XYKIDDNGFYGLBH-HXUWFJFHSA-N 0 3 354.450 4.127 20 5 FIBDHN CCN(CC)C(=O)CCC1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000542048764 1118771649 /nfs/dbraw/zinc/77/16/49/1118771649.db2.gz CHCWODFGKIPJAI-INIZCTEOSA-N 0 3 361.486 4.016 20 5 FIBDHN CCOc1cc(CN[C@@H](c2ccc(OC)cc2)C(C)C)ccc1[N+](=O)[O-] ZINC000492581883 1119136042 /nfs/dbraw/zinc/13/60/42/1119136042.db2.gz KAKCQTGJBWDXBQ-HXUWFJFHSA-N 0 3 358.438 4.489 20 5 FIBDHN COc1ccc([C@H]2CCN(Cc3cc([N+](=O)[O-])ccc3OC(C)C)C2)cc1 ZINC000609194224 1119841861 /nfs/dbraw/zinc/84/18/61/1119841861.db2.gz GNQMVTYCVLKZBJ-KRWDZBQOSA-N 0 3 370.449 4.380 20 5 FIBDHN Cc1c(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)sc2nc(C)nc(C)c12 ZINC000916836717 1121877309 /nfs/dbraw/zinc/87/73/09/1121877309.db2.gz NVAMRHJIXBPGOK-NSHDSACASA-N 0 3 356.451 4.376 20 5 FIBDHN CC(C)n1cc2c(n1)[C@H](N[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CCC2 ZINC000765812305 1122098470 /nfs/dbraw/zinc/09/84/70/1122098470.db2.gz AHOMLQAFEUTJMZ-MOPGFXCFSA-N 0 3 368.481 4.361 20 5 FIBDHN CCC(=O)c1ccc(NC[C@@H](N[C@@H](C)CC)c2ccco2)c([N+](=O)[O-])c1 ZINC000553601133 1122157300 /nfs/dbraw/zinc/15/73/00/1122157300.db2.gz IYESXCLTUHGCJJ-XJKSGUPXSA-N 0 3 359.426 4.322 20 5 FIBDHN CCC[C@@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000917181057 1122216405 /nfs/dbraw/zinc/21/64/05/1122216405.db2.gz OLWPQTVCZDZGNG-OAHLLOKOSA-N 0 3 361.829 4.318 20 5 FIBDHN CC(=O)c1ccc(N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000301597020 1122238299 /nfs/dbraw/zinc/23/82/99/1122238299.db2.gz SQPYLYDHCRMHGV-BEFAXECRSA-N 0 3 367.449 4.120 20 5 FIBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCc2c1cccc2Br ZINC000542707418 1122304766 /nfs/dbraw/zinc/30/47/66/1122304766.db2.gz ZSVGPEPOBXOPCW-QGZVFWFLSA-N 0 3 361.239 4.443 20 5 FIBDHN CC1CCC(OC2CCN(CCOc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000609386564 1123699443 /nfs/dbraw/zinc/69/94/43/1123699443.db2.gz MYBGVTDBMXBNAH-UHFFFAOYSA-N 0 3 362.470 4.033 20 5 FIBDHN CC[C@@H](NCc1ccc(-n2ccnc2C)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000153721479 1124367475 /nfs/dbraw/zinc/36/74/75/1124367475.db2.gz ZIOKTZSMNMXWBK-LJQANCHMSA-N 0 3 368.412 4.469 20 5 FIBDHN O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H]3Cc4ccccc43)cs2)c1 ZINC000113335840 1125154788 /nfs/dbraw/zinc/15/47/88/1125154788.db2.gz ATLYVLSJKDCXQY-HNNXBMFYSA-N 0 3 351.431 4.148 20 5 FIBDHN CN1CCC[C@H](CNc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1c1cccs1 ZINC000301793448 1125298922 /nfs/dbraw/zinc/29/89/22/1125298922.db2.gz PCVPSFMGSSLPIX-PIGZYNQJSA-N 0 3 367.421 4.430 20 5 FIBDHN C[C@H](N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000618984259 1125411302 /nfs/dbraw/zinc/41/13/02/1125411302.db2.gz IHOWVLUIZGUCGI-BBATYDOGSA-N 0 3 366.421 4.250 20 5 FIBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000481434953 567941847 /nfs/dbraw/zinc/94/18/47/567941847.db2.gz CGWCWXXOJRQIGE-HNAYVOBHSA-N 0 3 370.453 4.025 20 5 FIBDHN COC[C@@H](NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(Cl)cc1 ZINC000568320603 568023981 /nfs/dbraw/zinc/02/39/81/568023981.db2.gz DWSXYIHICMDFHI-LJQANCHMSA-N 0 3 373.840 4.249 20 5 FIBDHN COc1cc(CN[C@H]2CC[C@H](F)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000568357266 568033299 /nfs/dbraw/zinc/03/32/99/568033299.db2.gz RRHNODPRZQTVQN-IRXDYDNUSA-N 0 3 374.412 4.163 20 5 FIBDHN COc1ccc(CN[C@H](C)[C@H](OC)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000481548722 568049601 /nfs/dbraw/zinc/04/96/01/568049601.db2.gz ZOTSWTVCVJSCGP-XIKOKIGWSA-N 0 3 364.829 4.123 20 5 FIBDHN COc1cc(CN[C@H]2CC[C@H](c3ccccc3F)C2)c([N+](=O)[O-])cc1OC ZINC000481835431 568147657 /nfs/dbraw/zinc/14/76/57/568147657.db2.gz ZNDHNGGDJHRKPR-ZFWWWQNUSA-N 0 3 374.412 4.177 20 5 FIBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NCc1cc(-c2ccccc2)on1 ZINC000482036188 568235450 /nfs/dbraw/zinc/23/54/50/568235450.db2.gz BAIWOPYZGSGCIN-OAHLLOKOSA-N 0 3 351.406 4.361 20 5 FIBDHN CC[C@H](C)N[C@@H](CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)c1ccco1 ZINC000482050108 568239321 /nfs/dbraw/zinc/23/93/21/568239321.db2.gz OZNICYHPLIDITG-HOCLYGCPSA-N 0 3 374.441 4.056 20 5 FIBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000541951228 568273245 /nfs/dbraw/zinc/27/32/45/568273245.db2.gz CYQJEKXXKUQJLT-BIENJYKASA-N 0 3 356.426 4.218 20 5 FIBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CC(C3CCOCC3)C2)s1 ZINC000619726584 1125671113 /nfs/dbraw/zinc/67/11/13/1125671113.db2.gz LWPHDDKLQJXWBU-UHFFFAOYSA-N 0 3 358.463 4.182 20 5 FIBDHN CN(CCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccccc1 ZINC000608835661 1079831772 /nfs/dbraw/zinc/83/17/72/1079831772.db2.gz HDRMIDYVUIJYLN-UHFFFAOYSA-N 0 3 351.406 4.081 20 5 FIBDHN CC1CCC(N(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C2CC2)CC1 ZINC001167071952 1080009321 /nfs/dbraw/zinc/00/93/21/1080009321.db2.gz NTFWPCXWBVSWPI-UHFFFAOYSA-N 0 3 365.861 4.230 20 5 FIBDHN C[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1n1ccnc1 ZINC000246909994 1080543448 /nfs/dbraw/zinc/54/34/48/1080543448.db2.gz UPUHRQYIASSOMS-HNAYVOBHSA-N 0 3 366.421 4.134 20 5 FIBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000255073944 1081096618 /nfs/dbraw/zinc/09/66/18/1081096618.db2.gz HFLNQNALOWIKEZ-FXMBQATMSA-N 0 3 358.463 4.258 20 5 FIBDHN Cc1cccc(C)c1[C@H](C)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000544896102 1081139407 /nfs/dbraw/zinc/13/94/07/1081139407.db2.gz HTCDCVLNQZOJPA-ZDUSSCGKSA-N 0 3 361.829 4.154 20 5 FIBDHN Cc1c(CN2CCC(c3nc4ccccc4[nH]3)CC2)cccc1[N+](=O)[O-] ZINC000109763719 1081181036 /nfs/dbraw/zinc/18/10/36/1081181036.db2.gz GGOWDIXYEWDVRU-UHFFFAOYSA-N 0 3 350.422 4.159 20 5 FIBDHN CC(C)(CCc1ccccc1)NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000177185170 1081195478 /nfs/dbraw/zinc/19/54/78/1081195478.db2.gz UJVCLTRXFJUTSU-UHFFFAOYSA-N 0 3 366.421 4.146 20 5 FIBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000118837874 1081208211 /nfs/dbraw/zinc/20/82/11/1081208211.db2.gz FOKORRBATJNXQC-AWEZNQCLSA-N 0 3 350.422 4.412 20 5 FIBDHN COc1ccc(CN[C@H](C)COc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC001648898440 1081354843 /nfs/dbraw/zinc/35/48/43/1081354843.db2.gz OLIONKXKDLIPTB-OAHLLOKOSA-N 0 3 372.465 4.458 20 5 FIBDHN C[C@@H](N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000177939995 1082353402 /nfs/dbraw/zinc/35/34/02/1082353402.db2.gz PEBZXJUIONWGGT-ZUOKHONESA-N 0 3 354.406 4.168 20 5 FIBDHN CC(C)C[C@@H]1CCCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000119362216 1082600924 /nfs/dbraw/zinc/60/09/24/1082600924.db2.gz CIBVFPHXWYPYTA-GJZGRUSLSA-N 0 3 358.442 4.464 20 5 FIBDHN CN(CCCCO)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000471820072 1083053895 /nfs/dbraw/zinc/05/38/95/1083053895.db2.gz FVLBRKGDAPDSEN-UHFFFAOYSA-N 0 3 364.829 4.245 20 5 FIBDHN CCN(Cc1cccs1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000179720049 1083608687 /nfs/dbraw/zinc/60/86/87/1083608687.db2.gz UUULNHIGSHWZAS-UHFFFAOYSA-N 0 3 356.451 4.079 20 5 FIBDHN Cc1ccc([C@H](C)NCCC(=O)Nc2cccc(F)c2C)cc1[N+](=O)[O-] ZINC000411480095 1083777429 /nfs/dbraw/zinc/77/74/29/1083777429.db2.gz XDEGQGUIKDIMAW-AWEZNQCLSA-N 0 3 359.401 4.030 20 5 FIBDHN COc1ccc(CN2CCCCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000535840930 1083799350 /nfs/dbraw/zinc/79/93/50/1083799350.db2.gz MDMXCTQMHPOLFI-UHFFFAOYSA-N 0 3 356.422 4.168 20 5 FIBDHN CC[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccc2c(c1)OCCO2 ZINC000178479509 1083983718 /nfs/dbraw/zinc/98/37/18/1083983718.db2.gz KSHGIEHDDZJDFK-RDTXWAMCSA-N 0 3 356.422 4.476 20 5 FIBDHN Cc1ccccc1[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000538389349 1084073543 /nfs/dbraw/zinc/07/35/43/1084073543.db2.gz DIQJVNHDUNBHSC-IBGZPJMESA-N 0 3 373.840 4.236 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000157012882 1084294221 /nfs/dbraw/zinc/29/42/21/1084294221.db2.gz QIMONNMWIHAENL-CABCVRRESA-N 0 3 369.421 4.272 20 5 FIBDHN CCC[C@@H](NCc1ccc(-n2ccnc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000177806527 1084348004 /nfs/dbraw/zinc/34/80/04/1084348004.db2.gz DWCBYFUPJRSPQA-HXUWFJFHSA-N 0 3 350.422 4.412 20 5 FIBDHN COc1cc(CN2CC[C@@H](CC(C)C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC001167550540 1084673529 /nfs/dbraw/zinc/67/35/29/1084673529.db2.gz WFDPEUDZPBEOND-ZDUSSCGKSA-N 0 3 372.412 4.115 20 5 FIBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000277886986 1085692155 /nfs/dbraw/zinc/69/21/55/1085692155.db2.gz DDIWLBLDFJUURF-UHFFFAOYSA-N 0 3 361.829 4.179 20 5 FIBDHN CC(C)C[C@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000541625685 1085792323 /nfs/dbraw/zinc/79/23/23/1085792323.db2.gz IIKYCCKIBLURML-BBRMVZONSA-N 0 3 361.467 4.360 20 5 FIBDHN C[C@H](NC[C@@H](O)c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000161461388 1085951647 /nfs/dbraw/zinc/95/16/47/1085951647.db2.gz YSAVTCHRDOMYKX-MGPLVRAMSA-N 0 3 355.221 4.286 20 5 FIBDHN CCO[C@H]1C[C@@H](N(C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C12CCC2 ZINC001167664831 1086521160 /nfs/dbraw/zinc/52/11/60/1086521160.db2.gz VGBRZRKQNCDONM-CVEARBPZSA-N 0 3 372.387 4.393 20 5 FIBDHN C[C@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc([S@](C)=O)cc1 ZINC000278886692 1086530093 /nfs/dbraw/zinc/53/00/93/1086530093.db2.gz YIDCCTBIZUFNDL-ZLWNONNNSA-N 0 3 358.463 4.060 20 5 FIBDHN O=C(CCN1CCC[C@@H]1c1cccc(Cl)c1)Nc1ccccc1[N+](=O)[O-] ZINC000409873903 1087626462 /nfs/dbraw/zinc/62/64/62/1087626462.db2.gz LZTLMPITCSGGJE-QGZVFWFLSA-N 0 3 373.840 4.414 20 5 FIBDHN C[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1n1ccnc1 ZINC000180609674 1087980885 /nfs/dbraw/zinc/98/08/85/1087980885.db2.gz UPUHRQYIASSOMS-KXBFYZLASA-N 0 3 366.421 4.134 20 5 FIBDHN CC(C)c1nnc(CN[C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])s1 ZINC000513827123 1088425154 /nfs/dbraw/zinc/42/51/54/1088425154.db2.gz JJHFTUNCWDCLDW-ZFWWWQNUSA-N 0 3 360.483 4.071 20 5 FIBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCOC[C@@H](C3CCC3)C2)o1 ZINC000430121202 1088993289 /nfs/dbraw/zinc/99/32/89/1088993289.db2.gz GJCAARXODHFUIP-INIZCTEOSA-N 0 3 356.422 4.103 20 5 FIBDHN CC1(C)C[C@@H](NC/C=C/c2ccccc2[N+](=O)[O-])c2cc(N)ccc2O1 ZINC000415022166 1089060857 /nfs/dbraw/zinc/06/08/57/1089060857.db2.gz BVDBTNKYJNQQDF-QQOXCAACSA-N 0 3 353.422 4.082 20 5 FIBDHN Cc1ccc(C(C)C)c(Oc2ccc(CN[C@H](C)CO)cc2[N+](=O)[O-])c1 ZINC000236741111 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ZINC000603869861 1115824206 /nfs/dbraw/zinc/82/42/06/1115824206.db2.gz SAKBVEYXYVCHQJ-UHFFFAOYSA-N 0 3 364.829 4.158 20 5 FIBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(CCc1ccccc1)CC(C)C ZINC000604459666 1115867020 /nfs/dbraw/zinc/86/70/20/1115867020.db2.gz FLCSTNMSYFQWCC-UHFFFAOYSA-N 0 3 369.465 4.042 20 5 FIBDHN CC[C@@H](NCCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccccc1F ZINC000594019163 1115961902 /nfs/dbraw/zinc/96/19/02/1115961902.db2.gz BYMOTQLPGGXITK-MRXNPFEDSA-N 0 3 359.401 4.112 20 5 FIBDHN CC(C)c1ccc(CNCc2ccccc2Cn2ccnc2)cc1[N+](=O)[O-] ZINC000075758133 1116113846 /nfs/dbraw/zinc/11/38/46/1116113846.db2.gz UILNNCQEKUTLAB-UHFFFAOYSA-N 0 3 364.449 4.253 20 5 FIBDHN CN(CCCc1cc(-c2ccc(F)cc2)no1)Cc1cccc([N+](=O)[O-])c1 ZINC000608780232 1116128352 /nfs/dbraw/zinc/12/83/52/1116128352.db2.gz OVVZTUZMUZLBDW-UHFFFAOYSA-N 0 3 369.396 4.454 20 5 FIBDHN CN(CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000608835591 1116131012 /nfs/dbraw/zinc/13/10/12/1116131012.db2.gz AYIZLMPHOGSECV-UHFFFAOYSA-N 0 3 351.406 4.081 20 5 FIBDHN C[C@@H](CN(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000534855284 1116243155 /nfs/dbraw/zinc/24/31/55/1116243155.db2.gz NYMPPWJZGDXOFN-HNNXBMFYSA-N 0 3 351.406 4.485 20 5 FIBDHN CC(C)[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000152768808 1116323838 /nfs/dbraw/zinc/32/38/38/1116323838.db2.gz CLXPOJIVPTXCOE-VLIAUNLRSA-N 0 3 356.422 4.414 20 5 FIBDHN Cc1ccc(O[C@H](C)CNCc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000462733006 1117739938 /nfs/dbraw/zinc/73/99/38/1117739938.db2.gz GDRJHWAEESSBFB-CYBMUJFWSA-N 0 3 366.364 4.062 20 5 FIBDHN CCC(CC)(CCO)CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000493151592 1119318744 /nfs/dbraw/zinc/31/87/44/1119318744.db2.gz REZADOZKOBTONC-FQEVSTJZSA-N 0 3 356.466 4.463 20 5 FIBDHN O=[N+]([O-])c1ccc2oc(CN[C@H]3CCC[C@H]3Cc3ccccc3)nc2c1 ZINC000493521891 1119473124 /nfs/dbraw/zinc/47/31/24/1119473124.db2.gz HAXAWCQEGTYCET-RDJZCZTQSA-N 0 3 351.406 4.237 20 5 FIBDHN CCOc1ccc([C@H](C)NC[C@H](O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000152702839 1119487425 /nfs/dbraw/zinc/48/74/25/1119487425.db2.gz XJOVKXPLYMLBMT-SJCJKPOMSA-N 0 3 364.829 4.031 20 5 FIBDHN CCOc1ccc([C@@H](C)NC[C@H](O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000152702726 1119487569 /nfs/dbraw/zinc/48/75/69/1119487569.db2.gz XJOVKXPLYMLBMT-PXAZEXFGSA-N 0 3 364.829 4.031 20 5 FIBDHN CN(CCSc1c2ccccc2ncc1[N+](=O)[O-])Cc1ccccc1 ZINC000487762293 1119820737 /nfs/dbraw/zinc/82/07/37/1119820737.db2.gz PRLXSGQFIPLPCV-UHFFFAOYSA-N 0 3 353.447 4.367 20 5 FIBDHN CO[C@@H](c1ccccc1)[C@@H](C)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494519558 1119887075 /nfs/dbraw/zinc/88/70/75/1119887075.db2.gz BRIZONRODYCQQP-SJKOYZFVSA-N 0 3 368.355 4.479 20 5 FIBDHN COC[C@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000495379903 1120767039 /nfs/dbraw/zinc/76/70/39/1120767039.db2.gz NATJFPDSBWBMRW-INIZCTEOSA-N 0 3 370.783 4.046 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cc(N(C)C)nc2ccccc12 ZINC000154469499 1122389308 /nfs/dbraw/zinc/38/93/08/1122389308.db2.gz OBMZLLXMRUEFNH-OAHLLOKOSA-N 0 3 364.449 4.368 20 5 FIBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNCc2cnc3n2CCCC3)s1 ZINC000556408009 1122874265 /nfs/dbraw/zinc/87/42/65/1122874265.db2.gz TUDUGSZCDJHJET-UHFFFAOYSA-N 0 3 368.462 4.146 20 5 FIBDHN COc1ccc([C@H](CNc2cccc(F)c2[N+](=O)[O-])N2CCCCC2)cc1 ZINC000919962494 1123287435 /nfs/dbraw/zinc/28/74/35/1123287435.db2.gz FGDCACFFJQCCFB-IBGZPJMESA-N 0 3 373.428 4.382 20 5 FIBDHN COc1ccc([N+](=O)[O-])cc1CN(Cc1ccccc1)CC1CCOCC1 ZINC000609540707 1123748325 /nfs/dbraw/zinc/74/83/25/1123748325.db2.gz NEJAHQBVHBUWQC-UHFFFAOYSA-N 0 3 370.449 4.032 20 5 FIBDHN CC(C)(CNCc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc(F)c1 ZINC000609826075 1123850949 /nfs/dbraw/zinc/85/09/49/1123850949.db2.gz OCSHLPHTBVRDJR-UHFFFAOYSA-N 0 3 368.355 4.403 20 5 FIBDHN Cc1ccccc1[C@@H]1C[C@@H](C)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000610001988 1123913061 /nfs/dbraw/zinc/91/30/61/1123913061.db2.gz ROEIIVKIJFVSAX-HZPDHXFCSA-N 0 3 368.433 4.148 20 5 FIBDHN CC[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC001168676188 1124749909 /nfs/dbraw/zinc/74/99/09/1124749909.db2.gz JEAGJDUZPLTLRR-YVEFUNNKSA-N 0 3 361.829 4.316 20 5 FIBDHN CC[C@@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(Cl)c1 ZINC001168676890 1124758763 /nfs/dbraw/zinc/75/87/63/1124758763.db2.gz MDVOUPQSDMXJTL-MSOLQXFVSA-N 0 3 373.840 4.094 20 5 FIBDHN CN1CCC[C@H](CNc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1c1cccs1 ZINC000301793446 1125299177 /nfs/dbraw/zinc/29/91/77/1125299177.db2.gz PCVPSFMGSSLPIX-DIFFPNOSSA-N 0 3 367.421 4.430 20 5 FIBDHN Cc1c([C@H](C)N[C@H](C)COc2ccc(F)cc2F)cccc1[N+](=O)[O-] ZINC000481542361 568031315 /nfs/dbraw/zinc/03/13/15/568031315.db2.gz IVRBRXQILYOZND-YPMHNXCESA-N 0 3 350.365 4.300 20 5 FIBDHN COc1cc(CN(C)C2CCC(C)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000302912770 568243354 /nfs/dbraw/zinc/24/33/54/568243354.db2.gz QWILUNQEFMYKQO-UHFFFAOYSA-N 0 3 358.385 4.215 20 5 FIBDHN CSc1ccc([C@@H](CNC/C=C/c2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000570348345 568479729 /nfs/dbraw/zinc/47/97/29/568479729.db2.gz OQILIFWOYSBIAO-CPSHHHPTSA-N 0 3 371.506 4.222 20 5 FIBDHN Cc1ccc([C@@H](C)NCCOc2ncccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000537950261 1080475353 /nfs/dbraw/zinc/47/53/53/1080475353.db2.gz OTVLWPMEGLBJRU-GFCCVEGCSA-N 0 3 369.343 4.047 20 5 FIBDHN CCOC(=O)[C@@H]1CC[C@@H](NCc2cccc([N+](=O)[O-])c2C)c2ccccc21 ZINC000580035398 1081499261 /nfs/dbraw/zinc/49/92/61/1081499261.db2.gz GZYIHKRVUHFLMK-RTBURBONSA-N 0 3 368.433 4.175 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](c1ccccc1)C(C)(C)C ZINC000064938890 1081950725 /nfs/dbraw/zinc/95/07/25/1081950725.db2.gz VLKDZNANGAPASL-IBGZPJMESA-N 0 3 355.438 4.219 20 5 FIBDHN Cc1ccc([C@H](C)NC[C@H](O)c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000177779370 1081995510 /nfs/dbraw/zinc/99/55/10/1081995510.db2.gz RJCONUNTVZZUTC-SJCJKPOMSA-N 0 3 368.355 4.306 20 5 FIBDHN Cc1ccc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c(CN(C)C)c1 ZINC000275923942 1082040003 /nfs/dbraw/zinc/04/00/03/1082040003.db2.gz YRTWABPYIVIPHX-UHFFFAOYSA-N 0 3 361.829 4.179 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000177938497 1082352507 /nfs/dbraw/zinc/35/25/07/1082352507.db2.gz PONYFEHYAQYRQN-QKKBWIMNSA-N 0 3 368.433 4.476 20 5 FIBDHN CCC[C@H](NCc1ccccc1N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000177964261 1082438453 /nfs/dbraw/zinc/43/84/53/1082438453.db2.gz QZBBMALYLYHAQG-FQEVSTJZSA-N 0 3 369.465 4.062 20 5 FIBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000179725720 1083612169 /nfs/dbraw/zinc/61/21/69/1083612169.db2.gz NLFPNSLBHIKSJS-UHFFFAOYSA-N 0 3 355.438 4.142 20 5 FIBDHN CCOc1cc(CN(Cc2ccccc2)[C@H](CO)C(C)C)ccc1[N+](=O)[O-] ZINC001167529946 1084464648 /nfs/dbraw/zinc/46/46/48/1084464648.db2.gz WXAVADAKFLVSTB-HXUWFJFHSA-N 0 3 372.465 4.013 20 5 FIBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1cnc(-c2ccccc2)s1 ZINC000511074201 1084640548 /nfs/dbraw/zinc/64/05/48/1084640548.db2.gz OBDZUXBSCBALLW-UHFFFAOYSA-N 0 3 353.447 4.393 20 5 FIBDHN CCC[C@@H](N[C@H](CN(C)C)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000551556828 1084677953 /nfs/dbraw/zinc/67/79/53/1084677953.db2.gz YATVLCNYOLFIRE-NHCUHLMSSA-N 0 3 371.481 4.337 20 5 FIBDHN CCC[C@H](N[C@H](CN(C)C)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000551556827 1084678636 /nfs/dbraw/zinc/67/86/36/1084678636.db2.gz YATVLCNYOLFIRE-LEWJYISDSA-N 0 3 371.481 4.337 20 5 FIBDHN COc1ccc2[nH]cc(C3CCN(Cc4cccc([N+](=O)[O-])c4)CC3)c2c1 ZINC000108972079 1085571889 /nfs/dbraw/zinc/57/18/89/1085571889.db2.gz MTLCKILZVRGLFF-UHFFFAOYSA-N 0 3 365.433 4.464 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H](C)c1ccccc1F ZINC000109102150 1085589254 /nfs/dbraw/zinc/58/92/54/1085589254.db2.gz AYCFWRSDLRWNMZ-CQSZACIVSA-N 0 3 359.401 4.064 20 5 FIBDHN CCCC(=O)Nc1ccc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000158883322 1087517245 /nfs/dbraw/zinc/51/72/45/1087517245.db2.gz CYYVNLGSXARNIO-HNNXBMFYSA-N 0 3 355.438 4.493 20 5 FIBDHN O=C(CCN1CCC[C@H]1c1ccccc1Cl)Nc1ccccc1[N+](=O)[O-] ZINC000409856597 1087611245 /nfs/dbraw/zinc/61/12/45/1087611245.db2.gz QWRKCUJLSRXVIZ-KRWDZBQOSA-N 0 3 373.840 4.414 20 5 FIBDHN O=[N+]([O-])c1cccc([C@H](NC[C@@H](CO)c2ccccc2)c2ccccc2)c1 ZINC000180719821 1088044171 /nfs/dbraw/zinc/04/41/71/1088044171.db2.gz JRWGDADDOVTGLE-RBBKRZOGSA-N 0 3 362.429 4.050 20 5 FIBDHN CC(C)c1nnc(CN[C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])s1 ZINC000513827122 1088425975 /nfs/dbraw/zinc/42/59/75/1088425975.db2.gz JJHFTUNCWDCLDW-UKRRQHHQSA-N 0 3 360.483 4.071 20 5 FIBDHN Cc1cc(CN(C)C)cc(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)c1 ZINC000412215209 1089721510 /nfs/dbraw/zinc/72/15/10/1089721510.db2.gz HDWZRHAMFZSHBF-UHFFFAOYSA-N 0 3 371.437 4.004 20 5 FIBDHN C[C@@H](N[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)c1cnn(C)c1 ZINC000163824503 1089962685 /nfs/dbraw/zinc/96/26/85/1089962685.db2.gz VEOKCGWFJSLVJB-OLZOCXBDSA-N 0 3 356.451 4.469 20 5 FIBDHN COc1ccc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1OC ZINC000417295520 1090795857 /nfs/dbraw/zinc/79/58/57/1090795857.db2.gz DYTIDQGVQPOAPG-GOSISDBHSA-N 0 3 356.422 4.169 20 5 FIBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccccc1-n1cccn1)CCCC2 ZINC000417310365 1090803335 /nfs/dbraw/zinc/80/33/35/1090803335.db2.gz LISWHNXVLFEFHZ-HXUWFJFHSA-N 0 3 362.433 4.338 20 5 FIBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000511685485 1091539214 /nfs/dbraw/zinc/53/92/14/1091539214.db2.gz TYNJSWPZSOKSHA-MRXNPFEDSA-N 0 3 365.355 4.300 20 5 FIBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H]2CCC[C@H]2OC(F)F)o1 ZINC000500501108 1092150081 /nfs/dbraw/zinc/15/00/81/1092150081.db2.gz UFSYLYBMHXPNIC-CZUORRHYSA-N 0 3 352.337 4.105 20 5 FIBDHN O=[N+]([O-])c1ccc(OCCNCc2ccc(-c3ccccc3F)o2)cc1 ZINC000520992881 1092404610 /nfs/dbraw/zinc/40/46/10/1092404610.db2.gz UXKSGVADAWUDQK-UHFFFAOYSA-N 0 3 356.353 4.163 20 5 FIBDHN CN(CCOc1cccc([N+](=O)[O-])c1)Cc1cccc(C(F)(F)F)c1 ZINC000521040848 1092451807 /nfs/dbraw/zinc/45/18/07/1092451807.db2.gz HMFMPIFGPCATPQ-UHFFFAOYSA-N 0 3 354.328 4.124 20 5 FIBDHN COCCOc1cccc(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000433181502 1093382847 /nfs/dbraw/zinc/38/28/47/1093382847.db2.gz YDQHOQUSXVSSKC-HXUWFJFHSA-N 0 3 370.449 4.132 20 5 FIBDHN COCC[C@@H]1CCCCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000467272169 1093389670 /nfs/dbraw/zinc/38/96/70/1093389670.db2.gz YTLIWWJUVFVXAK-INIZCTEOSA-N 0 3 350.459 4.021 20 5 FIBDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000513055849 1093705400 /nfs/dbraw/zinc/70/54/00/1093705400.db2.gz FFMYUZWHGICKFO-RYGJVYDSSA-N 0 3 358.413 4.175 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000182615166 1094147995 /nfs/dbraw/zinc/14/79/95/1094147995.db2.gz OCVJBUOBRDXGRA-INIZCTEOSA-N 0 3 367.449 4.315 20 5 FIBDHN COc1ccc([C@H](Cc2ccncc2)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000513679385 1094269595 /nfs/dbraw/zinc/26/95/95/1094269595.db2.gz WQLDKYBVXCDMHD-NRFANRHFSA-N 0 3 363.417 4.072 20 5 FIBDHN CC[C@H](C)N[C@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)c1ccco1 ZINC000413285491 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362.813 4.261 20 5 FIBDHN C[C@H](CCCc1cccnc1)NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000459632128 1100366577 /nfs/dbraw/zinc/36/65/77/1100366577.db2.gz DSQCTMJXWWSXMF-OAHLLOKOSA-N 0 3 366.421 4.146 20 5 FIBDHN C[C@@H](CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)Oc1ccccc1 ZINC000506287201 1100780666 /nfs/dbraw/zinc/78/06/66/1100780666.db2.gz YQKYSHVYHIOFBA-HNNXBMFYSA-N 0 3 352.390 4.412 20 5 FIBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCC2(c3ccc(F)cc3)CC2)c1 ZINC000518268023 1101051407 /nfs/dbraw/zinc/05/14/07/1101051407.db2.gz TYLSKAHAIYCKMB-UHFFFAOYSA-N 0 3 366.339 4.157 20 5 FIBDHN COc1cc(CN2CCC23CCC3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537636214 1102383176 /nfs/dbraw/zinc/38/31/76/1102383176.db2.gz SHBHWWSBBVDWCR-UHFFFAOYSA-N 0 3 368.433 4.311 20 5 FIBDHN O=[N+]([O-])c1ccccc1CN1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000532639299 1102634939 /nfs/dbraw/zinc/63/49/39/1102634939.db2.gz MNWNNONDYFKIFX-OAHLLOKOSA-N 0 3 357.479 4.310 20 5 FIBDHN O=[N+]([O-])c1ccc(CN2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC000532637961 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COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](CN1CCCC1)c1ccccc1 ZINC000595003879 1115507472 /nfs/dbraw/zinc/50/74/72/1115507472.db2.gz MRNPNNUTUZWSME-OXJNMPFZSA-N 0 3 369.465 4.091 20 5 FIBDHN C[C@@H](NCc1cccc(COC[C@@H]2CCCO2)c1)c1cccc([N+](=O)[O-])c1 ZINC000595102451 1115516058 /nfs/dbraw/zinc/51/60/58/1115516058.db2.gz ICGBBWHTHIMFRU-IERDGZPVSA-N 0 3 370.449 4.141 20 5 FIBDHN C[C@H](NCc1cccc(COC[C@@H]2CCCO2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000595103366 1115516581 /nfs/dbraw/zinc/51/65/81/1115516581.db2.gz LZYFPMKNULOGAR-KKSFZXQISA-N 0 3 370.449 4.141 20 5 FIBDHN CCC(CC)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])[NH2+][C@H](C)c1ccccc1 ZINC000596118435 1115574904 /nfs/dbraw/zinc/57/49/04/1115574904.db2.gz ACCMAQAYGIDXNR-CQSZACIVSA-N 0 3 358.442 4.017 20 5 FIBDHN COc1ccc(CN2CCC[C@H](c3cc4ccccc4[nH]3)C2)cc1[N+](=O)[O-] ZINC000603889937 1115826375 /nfs/dbraw/zinc/82/63/75/1115826375.db2.gz GNDSAHZKXMOTNO-KRWDZBQOSA-N 0 3 365.433 4.464 20 5 FIBDHN Cc1c(CN2CCC(c3ccc4cccnc4n3)CC2)cccc1[N+](=O)[O-] ZINC000594020314 1115962287 /nfs/dbraw/zinc/96/22/87/1115962287.db2.gz HIJJOHHEQPJJSQ-UHFFFAOYSA-N 0 3 362.433 4.226 20 5 FIBDHN C[C@H](NC[C@@H](O)c1cc(Cl)cc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000173426588 1116065776 /nfs/dbraw/zinc/06/57/76/1116065776.db2.gz QLWXGTNEUHEVKO-MGPLVRAMSA-N 0 3 355.221 4.286 20 5 FIBDHN COc1ccc(CN2C3CCC2CC3)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000535069999 1116266877 /nfs/dbraw/zinc/26/68/77/1116266877.db2.gz WUJFGVWEWGFWFR-UHFFFAOYSA-N 0 3 368.433 4.309 20 5 FIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@H](n4cccn4)C3)o2)c(Cl)c1 ZINC000463038119 1117931774 /nfs/dbraw/zinc/93/17/74/1117931774.db2.gz XGIPVUSGBQEQJE-AWEZNQCLSA-N 0 3 372.812 4.152 20 5 FIBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c(Cl)c1 ZINC000541761983 1118634583 /nfs/dbraw/zinc/63/45/83/1118634583.db2.gz FHRDKQJSUDGCKG-YJBOKZPZSA-N 0 3 364.804 4.397 20 5 FIBDHN CCOc1cc(CN[C@H](c2ccc(OC)cc2)C2CC2)ccc1[N+](=O)[O-] ZINC000492580528 1119135814 /nfs/dbraw/zinc/13/58/14/1119135814.db2.gz DYZLPTCWKHERPP-FQEVSTJZSA-N 0 3 356.422 4.243 20 5 FIBDHN CCOc1cc(CN[C@@H](C)c2cccc(-n3cccn3)c2)ccc1[N+](=O)[O-] ZINC000492747305 1119178086 /nfs/dbraw/zinc/17/80/86/1119178086.db2.gz LBUXEZUIHDJUEP-HNNXBMFYSA-N 0 3 366.421 4.030 20 5 FIBDHN CCC(CC)(CCO)CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000493151593 1119319190 /nfs/dbraw/zinc/31/91/90/1119319190.db2.gz REZADOZKOBTONC-HXUWFJFHSA-N 0 3 356.466 4.463 20 5 FIBDHN Cc1cc(Br)cc2c1[C@H](NCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000491813591 1120958140 /nfs/dbraw/zinc/95/81/40/1120958140.db2.gz LWVHUUATWBZJIW-MRXNPFEDSA-N 0 3 361.239 4.443 20 5 FIBDHN C[C@H](NC(C)(C)c1cccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000542569694 1120959878 /nfs/dbraw/zinc/95/98/78/1120959878.db2.gz RDKRZOINTYVEAE-JTQLQIEISA-N 0 3 367.858 4.162 20 5 FIBDHN COc1ccc(C[C@@H](C)CN(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000090620631 1121073195 /nfs/dbraw/zinc/07/31/95/1121073195.db2.gz LXJFQEFHLIAWEN-CQSZACIVSA-N 0 3 369.421 4.055 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1ccccc1Cl ZINC000026227452 1121082056 /nfs/dbraw/zinc/08/20/56/1121082056.db2.gz DWBHSPDHYPZSSA-CYBMUJFWSA-N 0 3 361.829 4.236 20 5 FIBDHN CC(C)n1cc2c(n1)[C@@H](N[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CCC2 ZINC000765812311 1122101389 /nfs/dbraw/zinc/10/13/89/1122101389.db2.gz AHOMLQAFEUTJMZ-RBUKOAKNSA-N 0 3 368.481 4.361 20 5 FIBDHN CC(=O)c1ccc(N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000301542072 1122219377 /nfs/dbraw/zinc/21/93/77/1122219377.db2.gz NTIJRJMAFFYNPZ-KXBFYZLASA-N 0 3 367.449 4.262 20 5 FIBDHN CC[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@H](O)C(F)(F)F ZINC000498380726 1122761315 /nfs/dbraw/zinc/76/13/15/1122761315.db2.gz NDGPOPCWGKYLFK-HIFRSBDPSA-N 0 3 374.384 4.115 20 5 FIBDHN CCC[C@]1(COC)CCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000194931150 1123018437 /nfs/dbraw/zinc/01/84/37/1123018437.db2.gz RHDJLHZBYJCIRO-LJQANCHMSA-N 0 3 359.426 4.031 20 5 FIBDHN CCCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC1CCCCC1 ZINC000498814957 1123030816 /nfs/dbraw/zinc/03/08/16/1123030816.db2.gz DSIUHZGIUNQEEL-UHFFFAOYSA-N 0 3 358.442 4.437 20 5 FIBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H]1CC[C@H](c2ccccc2)C[C@H]1OC ZINC000556879471 1123165694 /nfs/dbraw/zinc/16/56/94/1123165694.db2.gz DLSVVRPXHGLUIH-LDQXTDLNSA-N 0 3 370.449 4.044 20 5 FIBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CNC(C)(C)c1ccc(C(C)C)cc1 ZINC000609358338 1123688259 /nfs/dbraw/zinc/68/82/59/1123688259.db2.gz CRYKLNLTGCNRKX-UHFFFAOYSA-N 0 3 369.465 4.490 20 5 FIBDHN Cc1ccccc1[C@@H]1C[C@H](C)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000610001989 1123913231 /nfs/dbraw/zinc/91/32/31/1123913231.db2.gz ROEIIVKIJFVSAX-JKSUJKDBSA-N 0 3 368.433 4.148 20 5 FIBDHN COc1ccc2c(c1)OCC[C@@H]2NC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000615723984 1124108694 /nfs/dbraw/zinc/10/86/94/1124108694.db2.gz HCYFRNSDUBATAZ-ATEOEAFZSA-N 0 3 354.406 4.120 20 5 FIBDHN COc1ccc2c(c1)OCC[C@H]2NC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000615723998 1124108828 /nfs/dbraw/zinc/10/88/28/1124108828.db2.gz HCYFRNSDUBATAZ-NRJHKNTJSA-N 0 3 354.406 4.120 20 5 FIBDHN COc1ccc(CN(C)C/C(C)=C\c2cccc([N+](=O)[O-])c2)cc1OC ZINC000615833448 1124127593 /nfs/dbraw/zinc/12/75/93/1124127593.db2.gz HJDMWMGESXGNGC-GDNBJRDFSA-N 0 3 356.422 4.147 20 5 FIBDHN COc1ccc2oc([C@@H](C)NC[C@@H](O)c3ccc([N+](=O)[O-])cc3)c(C)c2c1 ZINC000765850383 1124204700 /nfs/dbraw/zinc/20/47/00/1124204700.db2.gz YAAVJOVBHLMEFV-FZKQIMNGSA-N 0 3 370.405 4.042 20 5 FIBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNCc2ccc3c(c2)OCO3)s1 ZINC000237962803 1124208272 /nfs/dbraw/zinc/20/82/72/1124208272.db2.gz KSWUPWNCCFNZLB-UHFFFAOYSA-N 0 3 368.414 4.342 20 5 FIBDHN O=[N+]([O-])c1cccc(Br)c1CNCC[C@H]1CC1(Cl)Cl ZINC001203221694 1124450487 /nfs/dbraw/zinc/45/04/87/1124450487.db2.gz GLMGDNNDQNGRIO-QMMMGPOBSA-N 0 3 368.058 4.031 20 5 FIBDHN C[C@@H](Cc1ccc(O)cc1)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113335928 1125154472 /nfs/dbraw/zinc/15/44/72/1125154472.db2.gz OZKDKBWLEKQCBQ-ZDUSSCGKSA-N 0 3 369.446 4.145 20 5 FIBDHN CCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000517900736 567828972 /nfs/dbraw/zinc/82/89/72/567828972.db2.gz VAOCCPZATYKCRX-XLIONFOSSA-N 0 3 353.466 4.252 20 5 FIBDHN Cc1c([C@@H](C)N[C@H](C)COc2ccc(F)cc2F)cccc1[N+](=O)[O-] ZINC000481542359 568028868 /nfs/dbraw/zinc/02/88/68/568028868.db2.gz IVRBRXQILYOZND-DGCLKSJQSA-N 0 3 350.365 4.300 20 5 FIBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[C@@H](c2ccccc2)C[C@H]1OC ZINC000568543350 568048797 /nfs/dbraw/zinc/04/87/97/568048797.db2.gz QULULNCYXKVHPB-OZOXKJRCSA-N 0 3 370.449 4.044 20 5 FIBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2N[C@@H]2CCc3sc(Cl)cc32)n1 ZINC000568757851 568181891 /nfs/dbraw/zinc/18/18/91/568181891.db2.gz HNHAGFIDWRJBOL-FRRDWIJNSA-N 0 3 366.874 4.267 20 5 FIBDHN CC[C@@H](C)N[C@@H](CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)c1ccco1 ZINC000482050110 568239375 /nfs/dbraw/zinc/23/93/75/568239375.db2.gz OZNICYHPLIDITG-ZBFHGGJFSA-N 0 3 374.441 4.056 20 5 FIBDHN O=C(CCN1CC2(CCC2)[C@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000453029749 568255599 /nfs/dbraw/zinc/25/55/99/568255599.db2.gz XUVGUOYASGMEGA-HXUWFJFHSA-N 0 3 365.433 4.151 20 5 FIBDHN CCC(CC)(CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000236909625 568387300 /nfs/dbraw/zinc/38/73/00/568387300.db2.gz OIKZKOFWSKDZLH-UHFFFAOYSA-N 0 3 352.818 4.149 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186943014 1079747569 /nfs/dbraw/zinc/74/75/69/1079747569.db2.gz ZNDPMNJTCFEESC-INIZCTEOSA-N 0 3 372.440 4.173 20 5 FIBDHN COc1cccc(C[C@@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC001167094640 1080340542 /nfs/dbraw/zinc/34/05/42/1080340542.db2.gz XHLAHNRZUKPINI-INIZCTEOSA-N 0 3 360.841 4.464 20 5 FIBDHN O=[N+]([O-])c1cccc(-c2noc(CN[C@@H]3CCC[C@H]3c3ccccc3)n2)c1 ZINC000133961997 1081102046 /nfs/dbraw/zinc/10/20/46/1081102046.db2.gz NXIIZVLPMBWBHL-ZWKOTPCHSA-N 0 3 364.405 4.071 20 5 FIBDHN COc1ccccc1C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)C(C)C ZINC000185878411 1081295035 /nfs/dbraw/zinc/29/50/35/1081295035.db2.gz ZHSUBXOTDJLRKA-INIZCTEOSA-N 0 3 369.421 4.102 20 5 FIBDHN CCN1CCN(c2ccc(N[C@@H](C)c3ccccc3[N+](=O)[O-])c(C)c2)CC1 ZINC000610294678 1081312259 /nfs/dbraw/zinc/31/22/59/1081312259.db2.gz VFCYXPQKWFAETL-KRWDZBQOSA-N 0 3 368.481 4.218 20 5 FIBDHN COc1ccccc1[C@H](CN[C@H](C)c1cccc([N+](=O)[O-])c1)OC(C)C ZINC000471594144 1082021021 /nfs/dbraw/zinc/02/10/21/1082021021.db2.gz OFHOKEYISOVMBE-QRWLVFNGSA-N 0 3 358.438 4.420 20 5 FIBDHN CC(=O)c1cc(N[C@H]2CCN([C@@H](C)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000561155152 1082079017 /nfs/dbraw/zinc/07/90/17/1082079017.db2.gz XWEHMOVJMLZWNT-KSSFIOAISA-N 0 3 353.422 4.045 20 5 FIBDHN CCCN(CCc1ccccn1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000581397272 1082523721 /nfs/dbraw/zinc/52/37/21/1082523721.db2.gz NYUVUTCCALLHIA-UHFFFAOYSA-N 0 3 365.380 4.046 20 5 FIBDHN CC[C@@H](C)N[C@H](CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)c1ccco1 ZINC000477188408 1082743792 /nfs/dbraw/zinc/74/37/92/1082743792.db2.gz NEHQFZSOPXTWBN-UKRRQHHQSA-N 0 3 374.441 4.056 20 5 FIBDHN 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C[C@@H](c1cccc(C(F)(F)F)c1)N(CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000531105575 1107539308 /nfs/dbraw/zinc/53/93/08/1107539308.db2.gz SNJTYWKQHSGDDT-LBPRGKRZSA-N 0 3 368.359 4.036 20 5 FIBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](C)c1ccccc1Cl ZINC000237300026 1107717303 /nfs/dbraw/zinc/71/73/03/1107717303.db2.gz FYGZNXAXERHTDP-STQMWFEESA-N 0 3 361.829 4.316 20 5 FIBDHN COCCC1(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000151950167 1107746945 /nfs/dbraw/zinc/74/69/45/1107746945.db2.gz YRTOPUOOHAQTNR-UHFFFAOYSA-N 0 3 361.467 4.015 20 5 FIBDHN CC[C@@H](NCc1ccc(Cn2ccnc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000152109416 1108712549 /nfs/dbraw/zinc/71/25/49/1108712549.db2.gz KCQPIIAUPWSZPQ-HXUWFJFHSA-N 0 3 350.422 4.081 20 5 FIBDHN CC[C@H](Cc1ccc(C)cc1)N(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000525271827 1109319676 /nfs/dbraw/zinc/31/96/76/1109319676.db2.gz WJIGIGNRWSNDMT-LJQANCHMSA-N 0 3 370.449 4.223 20 5 FIBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@@H](CN1CCCC1)c1ccccc1)CCC2 ZINC000447534035 1109570439 /nfs/dbraw/zinc/57/04/39/1109570439.db2.gz ZJVOOHDAIKQWEB-VXKWHMMOSA-N 0 3 365.477 4.399 20 5 FIBDHN CCOc1ccc([C@H](C)NC[C@@H](OCC)c2ccccc2)cc1[N+](=O)[O-] ZINC000447570103 1109577498 /nfs/dbraw/zinc/57/74/98/1109577498.db2.gz FMDJNKWYRYNMQJ-MGPUTAFESA-N 0 3 358.438 4.422 20 5 FIBDHN COCC[C@H](NCc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000449556609 1110109815 /nfs/dbraw/zinc/10/98/15/1110109815.db2.gz SLOPZZSCCMATIM-KRWDZBQOSA-N 0 3 368.355 4.481 20 5 FIBDHN CCOC[C@@H]1CCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000538761534 1111289399 /nfs/dbraw/zinc/28/93/99/1111289399.db2.gz JWAWCIFNMPXZCP-GOSISDBHSA-N 0 3 369.465 4.221 20 5 FIBDHN C[C@H](c1cccc(C(F)(F)F)c1)N(CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000478433940 1111776107 /nfs/dbraw/zinc/77/61/07/1111776107.db2.gz WVIHHYFWKZMRIK-GFCCVEGCSA-N 0 3 368.359 4.036 20 5 FIBDHN C[C@@H](Cc1cccc(O)c1)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000553421969 1111973877 /nfs/dbraw/zinc/97/38/77/1111973877.db2.gz NSWIDMFGTGFRTE-ZDUSSCGKSA-N 0 3 369.446 4.145 20 5 FIBDHN CC(=O)c1cc(N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000553487231 1111987698 /nfs/dbraw/zinc/98/76/98/1111987698.db2.gz OWWMOURIQCTZPW-MGPUTAFESA-N 0 3 367.449 4.120 20 5 FIBDHN CC[C@@H](C)N[C@H](CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)c1ccco1 ZINC000479611883 1112086276 /nfs/dbraw/zinc/08/62/76/1112086276.db2.gz ABPIOEWMTSDMCN-GDBMZVCRSA-N 0 3 374.441 4.056 20 5 FIBDHN Cc1ccc([C@@H](C)NC[C@@H](c2ccco2)N2CCCCC2)cc1[N+](=O)[O-] ZINC000480088176 1112273235 /nfs/dbraw/zinc/27/32/35/1112273235.db2.gz CXIBUKDKOYMEFW-APWZRJJASA-N 0 3 357.454 4.374 20 5 FIBDHN COc1ccc(CN[C@@H]2CCC[C@@H]2F)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000555643395 1112955438 /nfs/dbraw/zinc/95/54/38/1112955438.db2.gz LUFKASXSWYVHFB-ZWKOTPCHSA-N 0 3 374.412 4.163 20 5 FIBDHN CCCCNC(=O)c1ccc(CN[C@H](CC)c2cccc([N+](=O)[O-])c2)cc1 ZINC000160114664 1113301311 /nfs/dbraw/zinc/30/13/11/1113301311.db2.gz QQFNIXDGIOEBQH-HXUWFJFHSA-N 0 3 369.465 4.366 20 5 FIBDHN Cc1nc2ccccc2n1C1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000482886415 1113388963 /nfs/dbraw/zinc/38/89/63/1113388963.db2.gz GTRJRDZFRHHXRV-UHFFFAOYSA-N 0 3 364.449 4.398 20 5 FIBDHN Cc1c(NC(=O)[C@H](C)N[C@@H](c2ccccc2)C(C)C)cccc1[N+](=O)[O-] ZINC000027449304 1113646650 /nfs/dbraw/zinc/64/66/50/1113646650.db2.gz UJCKGFFSBLREJG-HNAYVOBHSA-N 0 3 355.438 4.217 20 5 FIBDHN CC[C@@H](NCc1ccc(N2CCCCC2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000151049705 1114283852 /nfs/dbraw/zinc/28/38/52/1114283852.db2.gz WJBUQGFBFFXTCF-HXUWFJFHSA-N 0 3 367.449 4.353 20 5 FIBDHN CCOc1ccc([C@@H](C)N[C@@H](C)c2ccc3n[nH]cc3c2)cc1[N+](=O)[O-] ZINC000586795569 1114394846 /nfs/dbraw/zinc/39/48/46/1114394846.db2.gz RIUVPISHRSBBGK-QWHCGFSZSA-N 0 3 354.410 4.282 20 5 FIBDHN CC1(C)CCC[C@@H]1[C@H]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000592153474 1115215802 /nfs/dbraw/zinc/21/58/02/1115215802.db2.gz DLFIUUOOFVGEJJ-DOTOQJQBSA-N 0 3 370.453 4.293 20 5 FIBDHN CN(C)[C@H](CNC(=O)c1cc2ccccc2c2cccnc12)c1ccccc1 ZINC000058489534 1115236787 /nfs/dbraw/zinc/23/67/87/1115236787.db2.gz WZAWYYZAHCJCGN-JOCHJYFZSA-N 0 3 369.468 4.421 20 5 FIBDHN C[C@H]1CC2(CN1Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)CCOCC2 ZINC000592525645 1115341579 /nfs/dbraw/zinc/34/15/79/1115341579.db2.gz CIMYIOVHUSVAJM-AWEZNQCLSA-N 0 3 373.478 4.109 20 5 FIBDHN Cc1ccc(CN2CCC(c3ccc4cccnc4n3)CC2)cc1[N+](=O)[O-] ZINC000594614626 1115471791 /nfs/dbraw/zinc/47/17/91/1115471791.db2.gz YMHUQHOTOIGMFV-UHFFFAOYSA-N 0 3 362.433 4.226 20 5 FIBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCO[C@@H]3CC3(F)F)o2)c(Cl)c1 ZINC000594970488 1115498862 /nfs/dbraw/zinc/49/88/62/1115498862.db2.gz IBVNGOOSAVDYPD-OAHLLOKOSA-N 0 3 372.755 4.022 20 5 FIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CO[C@H](C4CC4)C3)o2)c(Cl)c1 ZINC000599008186 1115776530 /nfs/dbraw/zinc/77/65/30/1115776530.db2.gz VOKFCENJWBBZIA-SGTLLEGYSA-N 0 3 362.813 4.165 20 5 FIBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCc1ccccc1CC(F)(F)F ZINC000599092669 1115788437 /nfs/dbraw/zinc/78/84/37/1115788437.db2.gz RKNHHCOWAOWSGX-MRXNPFEDSA-N 0 3 350.340 4.477 20 5 FIBDHN CCC(CC)N(Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000604434789 1115865285 /nfs/dbraw/zinc/86/52/85/1115865285.db2.gz JOZPHKPAIQHTAO-UHFFFAOYSA-N 0 3 358.385 4.358 20 5 FIBDHN C[C@@H](NC[C@H](O)c1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000173406705 1116061428 /nfs/dbraw/zinc/06/14/28/1116061428.db2.gz MUJUDAASPODABY-HWPZZCPQSA-N 0 3 355.221 4.286 20 5 FIBDHN CN(Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C[C@@H]1CCC[C@@H]1O ZINC000539912646 1117749702 /nfs/dbraw/zinc/74/97/02/1117749702.db2.gz FFFUGWPMAHLDCP-KXBFYZLASA-N 0 3 374.412 4.119 20 5 FIBDHN CCO[C@@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C12CCCC2 ZINC000462758574 1117758489 /nfs/dbraw/zinc/75/84/89/1117758489.db2.gz UZHDLBTVJYZYSP-JKSUJKDBSA-N 0 3 370.396 4.024 20 5 FIBDHN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1ccc(F)cc1 ZINC000462779229 1117763194 /nfs/dbraw/zinc/76/31/94/1117763194.db2.gz RZNFDKPMSHYJLL-HNNXBMFYSA-N 0 3 369.343 4.050 20 5 FIBDHN CCOc1ccc([C@H](C)NCCOc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000540170071 1117911579 /nfs/dbraw/zinc/91/15/79/1117911579.db2.gz VSOBIANJYSSDGF-LBPRGKRZSA-N 0 3 366.364 4.001 20 5 FIBDHN O=[N+]([O-])c1ccccc1OCCN[C@H](CC(F)(F)F)c1ccccc1 ZINC000540380515 1118031969 /nfs/dbraw/zinc/03/19/69/1118031969.db2.gz NZPFNUSAJQDURH-CQSZACIVSA-N 0 3 354.328 4.257 20 5 FIBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCNC1(c2cccc(Cl)c2)CC1 ZINC000540415502 1118042894 /nfs/dbraw/zinc/04/28/94/1118042894.db2.gz YKBNYRYIZYOTID-UHFFFAOYSA-N 0 3 373.840 4.164 20 5 FIBDHN CN(CCc1ccccc1O)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000541551431 1118559166 /nfs/dbraw/zinc/55/91/66/1118559166.db2.gz NIUFKEQWPCUPFZ-UHFFFAOYSA-N 0 3 352.390 4.235 20 5 FIBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(Cl)c1 ZINC000541761980 1118634479 /nfs/dbraw/zinc/63/44/79/1118634479.db2.gz FHRDKQJSUDGCKG-CRAIPNDOSA-N 0 3 364.804 4.397 20 5 FIBDHN O=[N+]([O-])c1ccc(OC2CCN(CCCOc3ccc(F)cc3)CC2)cc1 ZINC000464777763 1118690492 /nfs/dbraw/zinc/69/04/92/1118690492.db2.gz NIWZOKVLYFCGDA-UHFFFAOYSA-N 0 3 374.412 4.046 20 5 FIBDHN C[C@]1(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCCC[C@H]1O ZINC000493177798 1119328454 /nfs/dbraw/zinc/32/84/54/1119328454.db2.gz QWIUSMBKTDZWPQ-QHAWAJNXSA-N 0 3 354.450 4.215 20 5 FIBDHN CO[C@H](CNCc1ccc([N+](=O)[O-])c(Cl)c1)c1cccc(Cl)c1 ZINC000761526485 1119410040 /nfs/dbraw/zinc/41/00/40/1119410040.db2.gz NFWRPWCVLVDTGW-MRXNPFEDSA-N 0 3 355.221 4.379 20 5 FIBDHN CC(C)C[C@H](CCO)CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000493246284 1119433723 /nfs/dbraw/zinc/43/37/23/1119433723.db2.gz HJHMLUXGXKPRBO-UWJYYQICSA-N 0 3 356.466 4.319 20 5 FIBDHN Cc1c(CN[C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000494980286 1120407819 /nfs/dbraw/zinc/40/78/19/1120407819.db2.gz PKYHVNULWKLPOI-KXBFYZLASA-N 0 3 358.413 4.300 20 5 FIBDHN C[C@@H](C1CC1)N(Cc1cccc([N+](=O)[O-])c1)Cc1cccc([N+](=O)[O-])c1 ZINC000914867082 1120604884 /nfs/dbraw/zinc/60/48/84/1120604884.db2.gz SAMPCRLMEGTDLW-AWEZNQCLSA-N 0 3 355.394 4.304 20 5 FIBDHN Cc1cc([C@@H](NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C2CC2)ccc1F ZINC000553621346 1122172435 /nfs/dbraw/zinc/17/24/35/1122172435.db2.gz GVNJNWNVUBBAIL-FQEVSTJZSA-N 0 3 371.412 4.030 20 5 FIBDHN C[C@](CO)(NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1ccccc1 ZINC000237637115 1124002563 /nfs/dbraw/zinc/00/25/63/1124002563.db2.gz XQHFCOQOCUJCTC-HXUWFJFHSA-N 0 3 368.458 4.321 20 5 FIBDHN O=[N+]([O-])c1cccc([C@H](NCCCOCC(F)(F)F)c2ccccc2)c1 ZINC000180089596 1124228739 /nfs/dbraw/zinc/22/87/39/1124228739.db2.gz RIYHKOWXLDMROP-QGZVFWFLSA-N 0 3 368.355 4.243 20 5 FIBDHN Cc1c([C@@H](C)NCc2cn(C)nc2-c2ccccc2)cccc1[N+](=O)[O-] ZINC000180413121 1124321740 /nfs/dbraw/zinc/32/17/40/1124321740.db2.gz KPYFRQDAGLWXDP-OAHLLOKOSA-N 0 3 350.422 4.155 20 5 FIBDHN CCO[C@@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C12CCCC2 ZINC000462758573 1124489737 /nfs/dbraw/zinc/48/97/37/1124489737.db2.gz UZHDLBTVJYZYSP-HZPDHXFCSA-N 0 3 370.396 4.024 20 5 FIBDHN CN1CCC[C@H](CNc2ncc(Cl)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000153832259 1124573106 /nfs/dbraw/zinc/57/31/06/1124573106.db2.gz VYIZDQRIITWQKY-IAQYHMDHSA-N 0 3 366.874 4.200 20 5 FIBDHN CC[C@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC001168676183 1124749542 /nfs/dbraw/zinc/74/95/42/1124749542.db2.gz JEAGJDUZPLTLRR-PXAZEXFGSA-N 0 3 361.829 4.316 20 5 FIBDHN O=[N+]([O-])c1cc(CNCc2cccc3cnccc32)cc(C(F)(F)F)c1 ZINC000618731744 1125266467 /nfs/dbraw/zinc/26/64/67/1125266467.db2.gz GCALEQLVJOXSSL-UHFFFAOYSA-N 0 3 361.323 4.452 20 5 FIBDHN Cc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000182344886 1125426064 /nfs/dbraw/zinc/42/60/64/1125426064.db2.gz JFTPHBFXNSGKPB-CHWSQXEVSA-N 0 3 361.829 4.234 20 5 FIBDHN Cc1c(NC(=O)CCN(C)[C@H](C)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000109093176 209297976 /nfs/dbraw/zinc/29/79/76/209297976.db2.gz TYNKWRGRICJEEK-CQSZACIVSA-N 0 3 359.401 4.064 20 5 FIBDHN Cc1ccc(CN2CCCC2)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000128539023 567905036 /nfs/dbraw/zinc/90/50/36/567905036.db2.gz HGDZJUUWDXHNPN-UHFFFAOYSA-N 0 3 353.422 4.060 20 5 FIBDHN CC(C)[C@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000584665113 568022384 /nfs/dbraw/zinc/02/23/84/568022384.db2.gz AENIFABBJYWNPJ-UTKZUKDTSA-N 0 3 368.433 4.340 20 5 FIBDHN COC[C@H](NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(Cl)cc1 ZINC000568320602 568024083 /nfs/dbraw/zinc/02/40/83/568024083.db2.gz DWSXYIHICMDFHI-IBGZPJMESA-N 0 3 373.840 4.249 20 5 FIBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1cnc(-c2ccsc2)s1 ZINC000568328384 568024784 /nfs/dbraw/zinc/02/47/84/568024784.db2.gz SCNMOGXGXUPEQS-UHFFFAOYSA-N 0 3 359.476 4.454 20 5 FIBDHN C[C@@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H]2CCCC[C@@H]12 ZINC000603846944 568162788 /nfs/dbraw/zinc/16/27/88/568162788.db2.gz IEGGASJHZOSEGZ-COXVUDFISA-N 0 3 356.426 4.045 20 5 FIBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@H]1c2ccccc2CC12CCOCC2 ZINC000568804217 568226745 /nfs/dbraw/zinc/22/67/45/568226745.db2.gz KVSBRPAZTNJWMO-DPVXCJKMSA-N 0 3 364.445 4.292 20 5 FIBDHN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC[C@@H]2[C@H]2CCCOC2)c1 ZINC000568998101 568265558 /nfs/dbraw/zinc/26/55/58/568265558.db2.gz YGMYVAPFVGRGBP-BLLLJJGKSA-N 0 3 358.360 4.005 20 5 FIBDHN CN(C)CCN(Cc1ccco1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000569052187 568282371 /nfs/dbraw/zinc/28/23/71/568282371.db2.gz GGJVOMXYNRCTHU-UHFFFAOYSA-N 0 3 369.421 4.012 20 5 FIBDHN O=[N+]([O-])c1cccc(-c2noc(CN[C@H]3CCC[C@@H]3c3ccccc3)n2)c1 ZINC000133961804 1081104530 /nfs/dbraw/zinc/10/45/30/1081104530.db2.gz NXIIZVLPMBWBHL-MSOLQXFVSA-N 0 3 364.405 4.071 20 5 FIBDHN C[C@@H]1[C@H](c2ccccc2)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000177529336 1081226932 /nfs/dbraw/zinc/22/69/32/1081226932.db2.gz LHXMTJKMHJIUJJ-RDTXWAMCSA-N 0 3 364.405 4.023 20 5 FIBDHN COc1ccccc1[C@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)OC(C)C ZINC000471594145 1082020646 /nfs/dbraw/zinc/02/06/46/1082020646.db2.gz OFHOKEYISOVMBE-YWZLYKJASA-N 0 3 358.438 4.420 20 5 FIBDHN C[C@]1(NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCc2ccccc21 ZINC000537604805 1082099608 /nfs/dbraw/zinc/09/96/08/1082099608.db2.gz DKBBWGFVXKTTBZ-IBGZPJMESA-N 0 3 373.840 4.028 20 5 FIBDHN COc1cccc([C@H](C)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000430505485 1082119037 /nfs/dbraw/zinc/11/90/37/1082119037.db2.gz YUYFKACJBUFDDW-HNNXBMFYSA-N 0 3 356.422 4.208 20 5 FIBDHN CCCN(Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1C[C@H](OCC)C1(C)C ZINC001167446671 1082319287 /nfs/dbraw/zinc/31/92/87/1082319287.db2.gz BZYNZUXGVNVJMS-MSOLQXFVSA-N 0 3 350.459 4.019 20 5 FIBDHN CCCN(Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1C[C@@H](OCC)C1(C)C ZINC001167446672 1082319471 /nfs/dbraw/zinc/31/94/71/1082319471.db2.gz BZYNZUXGVNVJMS-QZTJIDSGSA-N 0 3 350.459 4.019 20 5 FIBDHN C[C@@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000177940024 1082353837 /nfs/dbraw/zinc/35/38/37/1082353837.db2.gz PEBZXJUIONWGGT-XCLFUZPHSA-N 0 3 354.406 4.168 20 5 FIBDHN CCCOc1ccc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000175985108 1083034108 /nfs/dbraw/zinc/03/41/08/1083034108.db2.gz XHWVBBRFXWPDPH-UHFFFAOYSA-N 0 3 358.438 4.417 20 5 FIBDHN C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCCO1 ZINC000179393623 1083445610 /nfs/dbraw/zinc/44/56/10/1083445610.db2.gz KTGRPWQCXSXZLB-LBPRGKRZSA-N 0 3 350.802 4.119 20 5 FIBDHN COc1cc2c(cc1F)CC[C@@H]2N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000510980805 1083556806 /nfs/dbraw/zinc/55/68/06/1083556806.db2.gz QYIQAVGHHNYWDJ-MOPGFXCFSA-N 0 3 356.397 4.397 20 5 FIBDHN CCC[C@H](NCc1ccc(Cn2cccn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178504192 1084262555 /nfs/dbraw/zinc/26/25/55/1084262555.db2.gz OUGWSJJZCQAKIN-NRFANRHFSA-N 0 3 364.449 4.471 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000157012712 1084294928 /nfs/dbraw/zinc/29/49/28/1084294928.db2.gz QIMONNMWIHAENL-HUUCEWRRSA-N 0 3 369.421 4.272 20 5 FIBDHN COc1cc(C)c([C@H](C)N[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1OC ZINC000579971527 1084310142 /nfs/dbraw/zinc/31/01/42/1084310142.db2.gz DVAMIOIZSKJNTM-SUMWQHHRSA-N 0 3 356.422 4.259 20 5 FIBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(c2ncc3n2CCCC3)CC1 ZINC000580282900 1084403425 /nfs/dbraw/zinc/40/34/25/1084403425.db2.gz PWMLDYLIQXBXBW-OAHLLOKOSA-N 0 3 354.454 4.068 20 5 FIBDHN C[C@@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000580784238 1084471737 /nfs/dbraw/zinc/47/17/37/1084471737.db2.gz RNWJFVAUZPCMEI-FZKQIMNGSA-N 0 3 366.396 4.258 20 5 FIBDHN COc1ccc(C[C@@H]2CCCN(Cc3ccc(OC)c([N+](=O)[O-])c3)C2)cc1 ZINC000582519999 1084726322 /nfs/dbraw/zinc/72/63/22/1084726322.db2.gz UYWIFRIGBWRVTO-KRWDZBQOSA-N 0 3 370.449 4.067 20 5 FIBDHN COc1ccc(C[C@H]2CCCN(Cc3ccc(OC)c([N+](=O)[O-])c3)C2)cc1 ZINC000582520000 1084726558 /nfs/dbraw/zinc/72/65/58/1084726558.db2.gz UYWIFRIGBWRVTO-QGZVFWFLSA-N 0 3 370.449 4.067 20 5 FIBDHN COc1ccc2[nH]cc(C3CCN(Cc4ccc([N+](=O)[O-])cc4)CC3)c2c1 ZINC000108970752 1085570377 /nfs/dbraw/zinc/57/03/77/1085570377.db2.gz WTWSRPOOWCNVLR-UHFFFAOYSA-N 0 3 365.433 4.464 20 5 FIBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccccc1Cn1ccnc1)CCC2 ZINC000278209343 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ZINC000538727235 1111264668 /nfs/dbraw/zinc/26/46/68/1111264668.db2.gz BOIOMEAJFAEFDL-PBHICJAKSA-N 0 3 374.412 4.262 20 5 FIBDHN COCCCOc1cccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000539046181 1111411535 /nfs/dbraw/zinc/41/15/35/1111411535.db2.gz HYYPIXKFZFTRPX-INIZCTEOSA-N 0 3 358.438 4.169 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cccc(OCC(F)F)c1 ZINC000539081331 1111424809 /nfs/dbraw/zinc/42/48/09/1111424809.db2.gz ZMTOGLYLVATIOU-CYBMUJFWSA-N 0 3 350.365 4.398 20 5 FIBDHN CCC(CC)[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccs1 ZINC000539277850 1111495281 /nfs/dbraw/zinc/49/52/81/1111495281.db2.gz YGPLDKPTXJSMCC-QGZVFWFLSA-N 0 3 361.467 4.022 20 5 FIBDHN COc1ccccc1SC[C@H](C)CNCc1ccc([N+](=O)[O-])cc1F ZINC000479985119 1112219935 /nfs/dbraw/zinc/21/99/35/1112219935.db2.gz AIOKHCFGGNKDQS-CYBMUJFWSA-N 0 3 364.442 4.261 20 5 FIBDHN COc1cc(CNCC[C@@H](C)F)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000555616041 1112949355 /nfs/dbraw/zinc/94/93/55/1112949355.db2.gz JLKYUIBBQWRBBD-CQSZACIVSA-N 0 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COC(=O)c1ccc2c(c1)[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000594503325 1115451752 /nfs/dbraw/zinc/45/17/52/1115451752.db2.gz JJKZBAJFXWKNCD-YJYMSZOUSA-N 0 3 354.406 4.110 20 5 FIBDHN C[C@@H](NCc1cccc(COC[C@H]2CCCO2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000595103365 1115516682 /nfs/dbraw/zinc/51/66/82/1115516682.db2.gz LZYFPMKNULOGAR-IIBYNOLFSA-N 0 3 370.449 4.141 20 5 FIBDHN CC(C)[C@H](O)[C@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000595097400 1115517976 /nfs/dbraw/zinc/51/79/76/1115517976.db2.gz VPMFKORGFZPIKR-NJYVYQBISA-N 0 3 354.450 4.320 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000595528440 1115540509 /nfs/dbraw/zinc/54/05/09/1115540509.db2.gz YCGJLFAJFIJGLA-MRXNPFEDSA-N 0 3 369.469 4.316 20 5 FIBDHN CC[C@H](c1ccccc1)N(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000595857596 1115564611 /nfs/dbraw/zinc/56/46/11/1115564611.db2.gz OUROTSOXJANODB-GOSISDBHSA-N 0 3 355.438 4.055 20 5 FIBDHN CCC(CC)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])[NH2+][C@@H](C)c1ccccc1 ZINC000596118434 1115574728 /nfs/dbraw/zinc/57/47/28/1115574728.db2.gz ACCMAQAYGIDXNR-AWEZNQCLSA-N 0 3 358.442 4.017 20 5 FIBDHN CN(C)[C@H]1CCOc2c(Nc3ccc4cnccc4c3[N+](=O)[O-])cccc21 ZINC000599079750 1115787681 /nfs/dbraw/zinc/78/76/81/1115787681.db2.gz NTQPTFRPCKPYHH-SFHVURJKSA-N 0 3 364.405 4.272 20 5 FIBDHN CN(CCOc1ccccc1[N+](=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000603838747 1115818420 /nfs/dbraw/zinc/81/84/20/1115818420.db2.gz GKASXRWLPCGKRU-UHFFFAOYSA-N 0 3 354.328 4.124 20 5 FIBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(c2ccc3cccnc3n2)CC1 ZINC000594019840 1115962166 /nfs/dbraw/zinc/96/21/66/1115962166.db2.gz ACQUDAGSQOEOJK-HNNXBMFYSA-N 0 3 362.433 4.479 20 5 FIBDHN C[C@@H](NC[C@@H](O)c1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000173406732 1116061537 /nfs/dbraw/zinc/06/15/37/1116061537.db2.gz MUJUDAASPODABY-QLJPJBMISA-N 0 3 355.221 4.286 20 5 FIBDHN C[C@@H](NC[C@@H](O)c1c(Cl)cccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000173438868 1116067202 /nfs/dbraw/zinc/06/72/02/1116067202.db2.gz LFUJRUWNTCLFDZ-MEBBXXQBSA-N 0 3 355.221 4.286 20 5 FIBDHN CCN(CC)[C@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1ccco1 ZINC000462379142 1116341881 /nfs/dbraw/zinc/34/18/81/1116341881.db2.gz VFYOFMFQRZPUJF-CQSZACIVSA-N 0 3 369.368 4.284 20 5 FIBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCN(c3ccccc3F)C2)c(Cl)c1 ZINC000462905092 1117850946 /nfs/dbraw/zinc/85/09/46/1117850946.db2.gz BTVFLVIUVMMRHL-ZDUSSCGKSA-N 0 3 363.820 4.003 20 5 FIBDHN Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2CCCN(C)[C@@H]2c2cccs2)n1 ZINC000541007203 1118343159 /nfs/dbraw/zinc/34/31/59/1118343159.db2.gz REVAIYSJRSZSMM-PBHICJAKSA-N 0 3 360.483 4.163 20 5 FIBDHN O=[N+]([O-])c1ccc(OC2CCN(Cc3ccc4c(c3)CCC4)CC2)cc1 ZINC000464781410 1118692717 /nfs/dbraw/zinc/69/27/17/1118692717.db2.gz ZEVFNASVDRRCBL-UHFFFAOYSA-N 0 3 352.434 4.127 20 5 FIBDHN Cc1c(CN2CCC3(CC2)OCCc2ccsc23)cccc1[N+](=O)[O-] ZINC000492811108 1119192120 /nfs/dbraw/zinc/19/21/20/1119192120.db2.gz VIEOQFIYSRZYFP-UHFFFAOYSA-N 0 3 358.463 4.029 20 5 FIBDHN C[C@]1(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCCC[C@H]1O ZINC000493177792 1119328466 /nfs/dbraw/zinc/32/84/66/1119328466.db2.gz QWIUSMBKTDZWPQ-NJDAHSKKSA-N 0 3 354.450 4.215 20 5 FIBDHN CCOc1ccc([C@@H](C)NC[C@@H](O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000152702940 1119487593 /nfs/dbraw/zinc/48/75/93/1119487593.db2.gz XJOVKXPLYMLBMT-SJKOYZFVSA-N 0 3 364.829 4.031 20 5 FIBDHN COc1ccc([C@@H]2CCN(Cc3cc([N+](=O)[O-])ccc3OC(C)C)C2)cc1 ZINC000609194225 1119842071 /nfs/dbraw/zinc/84/20/71/1119842071.db2.gz GNQMVTYCVLKZBJ-QGZVFWFLSA-N 0 3 370.449 4.380 20 5 FIBDHN CO[C@@H](c1ccccc1)[C@H](C)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494519559 1119886811 /nfs/dbraw/zinc/88/68/11/1119886811.db2.gz BRIZONRODYCQQP-YVEFUNNKSA-N 0 3 368.355 4.479 20 5 FIBDHN C[C@@H](C1CC1)N(Cc1ccc([N+](=O)[O-])cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000914867055 1120605474 /nfs/dbraw/zinc/60/54/74/1120605474.db2.gz RLHHNQZAIFHDKW-AWEZNQCLSA-N 0 3 355.394 4.304 20 5 FIBDHN O=C(CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccccc1Cl ZINC000153329886 1121113536 /nfs/dbraw/zinc/11/35/36/1121113536.db2.gz HONREZZAYDJAIZ-UHFFFAOYSA-N 0 3 373.840 4.241 20 5 FIBDHN COCCCOc1cccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000090718736 1121228242 /nfs/dbraw/zinc/22/82/42/1121228242.db2.gz CQLQMLKSSRYWGE-MRXNPFEDSA-N 0 3 358.438 4.169 20 5 FIBDHN O=[N+]([O-])c1ccc(CCNCc2csc(-c3ccc(F)cc3)n2)cc1 ZINC000194415657 1121281576 /nfs/dbraw/zinc/28/15/76/1121281576.db2.gz KEAMTOMDBMOZMP-UHFFFAOYSA-N 0 3 357.410 4.190 20 5 FIBDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCCC2 ZINC000499249689 1123359194 /nfs/dbraw/zinc/35/91/94/1123359194.db2.gz VFTXKNGJIVHZSR-CABCVRRESA-N 0 3 367.449 4.151 20 5 FIBDHN COc1cc(CN2CCCC[C@H]2C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000609766972 1123825753 /nfs/dbraw/zinc/82/57/53/1123825753.db2.gz AEFMABHVXIFSNC-ZDUSSCGKSA-N 0 3 358.385 4.215 20 5 FIBDHN O=[N+]([O-])c1cccc(-c2cnc(CCNC3(c4cccc(F)c4)CC3)o2)c1 ZINC000179685573 1124030117 /nfs/dbraw/zinc/03/01/17/1124030117.db2.gz HMVBTGJUOXFDFF-UHFFFAOYSA-N 0 3 367.380 4.210 20 5 FIBDHN COc1ccc(CN(C)C/C(C)=C/c2cccc([N+](=O)[O-])c2)cc1OC ZINC000615833449 1124127816 /nfs/dbraw/zinc/12/78/16/1124127816.db2.gz HJDMWMGESXGNGC-XNTDXEJSSA-N 0 3 356.422 4.147 20 5 FIBDHN CC[C@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC001168676185 1124749955 /nfs/dbraw/zinc/74/99/55/1124749955.db2.gz JEAGJDUZPLTLRR-SJCJKPOMSA-N 0 3 361.829 4.316 20 5 FIBDHN CC[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(Cl)c1 ZINC001168676907 1124759867 /nfs/dbraw/zinc/75/98/67/1124759867.db2.gz MDVOUPQSDMXJTL-ZWKOTPCHSA-N 0 3 373.840 4.094 20 5 FIBDHN C[C@H](N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000618984260 1125411642 /nfs/dbraw/zinc/41/16/42/1125411642.db2.gz IHOWVLUIZGUCGI-VOJFVSQTSA-N 0 3 366.421 4.250 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000481596721 568061699 /nfs/dbraw/zinc/06/16/99/568061699.db2.gz VWBLAXBDOWDDAW-MRXNPFEDSA-N 0 3 372.440 4.173 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000481715106 568093830 /nfs/dbraw/zinc/09/38/30/568093830.db2.gz WRFMFPATUWFOEK-HRAATJIYSA-N 0 3 352.434 4.486 20 5 FIBDHN Cc1ccc(CN2CCCC2)cc1NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000569785472 568424609 /nfs/dbraw/zinc/42/46/09/568424609.db2.gz YXKAPRKBYKUFPA-INIZCTEOSA-N 0 3 367.449 4.241 20 5 FIBDHN CC(=O)c1ccc(N[C@H](C)[C@H](c2ccccc2C)N(C)C)c([N+](=O)[O-])c1 ZINC000557753131 1079632188 /nfs/dbraw/zinc/63/21/88/1079632188.db2.gz SUZHJYMIRLZLOH-JLTOFOAXSA-N 0 3 355.438 4.209 20 5 FIBDHN CC(C)N(CCc1ccccc1)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001167219149 1080860397 /nfs/dbraw/zinc/86/03/97/1080860397.db2.gz XKEABSBQUFPBRK-UHFFFAOYSA-N 0 3 366.421 4.098 20 5 FIBDHN C[C@@H](N[C@H](CN1CCCCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000610420442 1081835057 /nfs/dbraw/zinc/83/50/57/1081835057.db2.gz IAWPQWRURWCKGM-DYESRHJHSA-N 0 3 353.466 4.473 20 5 FIBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H]2c3ccccc3C[C@H]2O)s1 ZINC000119191560 1082006704 /nfs/dbraw/zinc/00/67/04/1082006704.db2.gz XCULHFGZAOGFNX-UYAOXDASSA-N 0 3 366.442 4.071 20 5 FIBDHN C[C@@H](c1ccncc1)N1CCC(Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000119291845 1082091127 /nfs/dbraw/zinc/09/11/27/1082091127.db2.gz BZVLWOFJSAXDBO-ZDUSSCGKSA-N 0 3 360.845 4.281 20 5 FIBDHN O=[N+]([O-])c1ccc(N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)s1 ZINC000610469433 1082232287 /nfs/dbraw/zinc/23/22/87/1082232287.db2.gz OXIMRYGIQXLSSF-IBGZPJMESA-N 0 3 357.479 4.149 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000156841851 1082344427 /nfs/dbraw/zinc/34/44/27/1082344427.db2.gz CPUIZVIYVRGZNG-JKSUJKDBSA-N 0 3 367.449 4.442 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000177938464 1082352565 /nfs/dbraw/zinc/35/25/65/1082352565.db2.gz PONYFEHYAQYRQN-SPLOXXLWSA-N 0 3 368.433 4.476 20 5 FIBDHN C[C@H](Cc1ccc(Cl)cc1)N(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582146 1083211397 /nfs/dbraw/zinc/21/13/97/1083211397.db2.gz AJKATRUEAUKZAE-GFCCVEGCSA-N 0 3 359.813 4.452 20 5 FIBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCS[C@@H]4CCCC[C@H]43)o2)c1 ZINC000610619588 1083265708 /nfs/dbraw/zinc/26/57/08/1083265708.db2.gz HHJYRIRJLXNVRP-SJLPKXTDSA-N 0 3 373.478 4.152 20 5 FIBDHN CC[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccc2c(c1)OCCO2 ZINC000178479501 1083983819 /nfs/dbraw/zinc/98/38/19/1083983819.db2.gz KSHGIEHDDZJDFK-KDOFPFPSSA-N 0 3 356.422 4.476 20 5 FIBDHN Cc1ccc([C@H](C)N[C@H](C)c2cccc(N3CCOC3=O)c2)cc1[N+](=O)[O-] ZINC000156993473 1084287884 /nfs/dbraw/zinc/28/78/84/1084287884.db2.gz DBBAPJAPLWEVIM-CABCVRRESA-N 0 3 369.421 4.272 20 5 FIBDHN CC[C@@H](N[C@H](C)c1cccc(N2CCOC2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000157045071 1084305404 /nfs/dbraw/zinc/30/54/04/1084305404.db2.gz BNSNRDYPAITPDZ-AUUYWEPGSA-N 0 3 369.421 4.353 20 5 FIBDHN COc1cc(C)c([C@@H](C)N[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1OC ZINC000579971524 1084309921 /nfs/dbraw/zinc/30/99/21/1084309921.db2.gz DVAMIOIZSKJNTM-CXAGYDPISA-N 0 3 356.422 4.259 20 5 FIBDHN CC[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000539255356 1084441637 /nfs/dbraw/zinc/44/16/37/1084441637.db2.gz JWIITAPUHXNPGF-OAHLLOKOSA-N 0 3 361.829 4.236 20 5 FIBDHN CN(C)C[C@@H](NC/C=C\c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000563249733 1084633448 /nfs/dbraw/zinc/63/34/48/1084633448.db2.gz KIPHOGYGOSUOCL-LZCIBIBXSA-N 0 3 359.857 4.154 20 5 FIBDHN C[C@H](NCCOc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000540375749 1084784574 /nfs/dbraw/zinc/78/45/74/1084784574.db2.gz JSRNMZMDVOCAIJ-LBPRGKRZSA-N 0 3 365.227 4.087 20 5 FIBDHN O=[N+]([O-])c1ccccc1CCN[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000548710462 1084788157 /nfs/dbraw/zinc/78/81/57/1084788157.db2.gz PHDJONORWBAYBP-FQEVSTJZSA-N 0 3 351.381 4.051 20 5 FIBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1ccccc1Oc1cccnc1 ZINC000511108756 1084936990 /nfs/dbraw/zinc/93/69/90/1084936990.db2.gz RMLOCZRNYFNWLU-UHFFFAOYSA-N 0 3 363.417 4.457 20 5 FIBDHN Cc1cccc(NC(=O)C[C@@H](C)NCc2cccc([N+](=O)[O-])c2C)c1C ZINC000478486433 1084953827 /nfs/dbraw/zinc/95/38/27/1084953827.db2.gz FUGHWXOBXRTTCH-CQSZACIVSA-N 0 3 355.438 4.027 20 5 FIBDHN C[C@H](NCc1ccc(NC(=O)c2ccco2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178641263 1085419902 /nfs/dbraw/zinc/41/99/02/1085419902.db2.gz OEHQFXFRCRYDBY-AWEZNQCLSA-N 0 3 365.389 4.291 20 5 FIBDHN Cc1c(CN[C@@H](CN2CCCCC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000611938132 1085694856 /nfs/dbraw/zinc/69/48/56/1085694856.db2.gz KJPREJIXPXLJAK-FQEVSTJZSA-N 0 3 353.466 4.220 20 5 FIBDHN C[C@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc([S@@](C)=O)cc1 ZINC000278886681 1086530203 /nfs/dbraw/zinc/53/02/03/1086530203.db2.gz YIDCCTBIZUFNDL-MFMWZZQQSA-N 0 3 358.463 4.060 20 5 FIBDHN C[C@@H](N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc(NC(N)=O)cc1 ZINC000279122903 1086814962 /nfs/dbraw/zinc/81/49/62/1086814962.db2.gz QFXURQGPNXSPPZ-KZULUSFZSA-N 0 3 368.437 4.159 20 5 FIBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1c2ccccc2CC12CCOCC2 ZINC000289924369 1087426030 /nfs/dbraw/zinc/42/60/30/1087426030.db2.gz VPJBYEAYBRYPRF-FQEVSTJZSA-N 0 3 352.434 4.087 20 5 FIBDHN CN(C)Cc1ccccc1CNC(=O)c1cc2ccccc2c2cccnc12 ZINC000612072706 1087737679 /nfs/dbraw/zinc/73/76/79/1087737679.db2.gz RSLKOHJCKZQOCA-UHFFFAOYSA-N 0 3 369.468 4.380 20 5 FIBDHN C[C@H]1[C@@H](c2ccccc2)CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000177553591 1088354891 /nfs/dbraw/zinc/35/48/91/1088354891.db2.gz WEYBDJZPNIWVDQ-KSSFIOAISA-N 0 3 364.405 4.023 20 5 FIBDHN COC[C@H](N[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000513824949 1088452159 /nfs/dbraw/zinc/45/21/59/1088452159.db2.gz SWVKXLSRMQWSKD-NJAFHUGGSA-N 0 3 358.438 4.185 20 5 FIBDHN O=C(NC[C@H]1CCCCN1C1CC1)c1cc2ccccc2c2cccnc12 ZINC000434422129 1088612237 /nfs/dbraw/zinc/61/22/37/1088612237.db2.gz PAHMLRILYVNODF-GOSISDBHSA-N 0 3 359.473 4.135 20 5 FIBDHN Cc1ccccc1[C@@H]1C[C@@H](C)N(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000435056115 1089246176 /nfs/dbraw/zinc/24/61/76/1089246176.db2.gz LQFPXQCFBUCPMO-HUUCEWRRSA-N 0 3 351.406 4.422 20 5 FIBDHN C[C@H](N[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)c1ccc(NC(N)=O)cc1 ZINC000417302707 1090791194 /nfs/dbraw/zinc/79/11/94/1090791194.db2.gz CTCUSBFANJFCRH-ORAYPTAESA-N 0 3 368.437 4.204 20 5 FIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC(OC4CCC4)CC3)o2)cc1 ZINC000418091013 1091055806 /nfs/dbraw/zinc/05/58/06/1091055806.db2.gz MJGLGMKBLCIMAO-UHFFFAOYSA-N 0 3 356.422 4.388 20 5 FIBDHN CCOc1ccc2c(c1)[C@H](NC/C=C\c1ccccc1[N+](=O)[O-])CCO2 ZINC000614101449 1092936052 /nfs/dbraw/zinc/93/60/52/1092936052.db2.gz ONAULCLFRXHHIW-LZCIBIBXSA-N 0 3 354.406 4.120 20 5 FIBDHN CC1(C)C[C@@H](NCc2cccc(-n3ccnc3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433127414 1093310614 /nfs/dbraw/zinc/31/06/14/1093310614.db2.gz SMCBVGLZQMDKKP-HXUWFJFHSA-N 0 3 362.433 4.293 20 5 FIBDHN COCCOc1ccc(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433151210 1093343669 /nfs/dbraw/zinc/34/36/69/1093343669.db2.gz NIGXDECLXBKNMY-HXUWFJFHSA-N 0 3 370.449 4.132 20 5 FIBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000433278242 1093520023 /nfs/dbraw/zinc/52/00/23/1093520023.db2.gz GFAMHZLABDDFFA-MRXNPFEDSA-N 0 3 357.429 4.003 20 5 FIBDHN C[C@@H](N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000237300818 1093607500 /nfs/dbraw/zinc/60/75/00/1093607500.db2.gz YFCMBWCAUDOTKR-UONOGXRCSA-N 0 3 367.405 4.409 20 5 FIBDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000513055848 1093705769 /nfs/dbraw/zinc/70/57/69/1093705769.db2.gz FFMYUZWHGICKFO-CWFSZBLJSA-N 0 3 358.413 4.175 20 5 FIBDHN C[C@H](CNc1ccc([N+](=O)[O-])c2cnccc12)N1CCc2sccc2C1 ZINC000025500409 1094326501 /nfs/dbraw/zinc/32/65/01/1094326501.db2.gz BDQIUUXRZFAOJF-CYBMUJFWSA-N 0 3 368.462 4.063 20 5 FIBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3ccc(Cl)c4ccccc34)CC2)n1 ZINC000420915671 1095182817 /nfs/dbraw/zinc/18/28/17/1095182817.db2.gz FLONEXCQKDJJFB-UHFFFAOYSA-N 0 3 370.840 4.435 20 5 FIBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](C2CCCC2)C1 ZINC000420959456 1095202161 /nfs/dbraw/zinc/20/21/61/1095202161.db2.gz DZJFBIIEDPQCMH-XJKSGUPXSA-N 0 3 356.426 4.218 20 5 FIBDHN COc1cccc([C@@H](CNCc2ccc(C(C)C)c([N+](=O)[O-])c2)OC)c1 ZINC001203216337 1096429476 /nfs/dbraw/zinc/42/94/76/1096429476.db2.gz RUTCSLAZZCAJMQ-HXUWFJFHSA-N 0 3 358.438 4.204 20 5 FIBDHN CCOc1ccc([C@H](C)NCc2cccc3c2CCCN3)cc1[N+](=O)[O-] ZINC000423409482 1096674545 /nfs/dbraw/zinc/67/45/45/1096674545.db2.gz BSAYXOHLGXQJHO-AWEZNQCLSA-N 0 3 355.438 4.202 20 5 FIBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1c2ccccc2CC12CCOCC2 ZINC000515432797 1098588385 /nfs/dbraw/zinc/58/83/85/1098588385.db2.gz JUPBOVNFWUHWAX-PZJWPPBQSA-N 0 3 364.445 4.266 20 5 FIBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCC2(CCCC2)C1 ZINC000615000785 1099500131 /nfs/dbraw/zinc/50/01/31/1099500131.db2.gz UHLVZIKJVMXTGL-CQSZACIVSA-N 0 3 356.426 4.362 20 5 FIBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1ccc(C2CC2)cc1F ZINC000425952045 1100443717 /nfs/dbraw/zinc/44/37/17/1100443717.db2.gz GAPBSIGQCZODSK-ZDUSSCGKSA-N 0 3 371.412 4.118 20 5 FIBDHN COc1ccc(CNCCOc2cccc(C(C)(C)C)c2)cc1[N+](=O)[O-] ZINC000506284602 1100763658 /nfs/dbraw/zinc/76/36/58/1100763658.db2.gz LDNBNNFQVQTHNC-UHFFFAOYSA-N 0 3 358.438 4.070 20 5 FIBDHN Cc1ccc([C@@H](C)NC[C@@H](O)COc2ccccc2C(C)C)cc1[N+](=O)[O-] ZINC000537179227 1101521568 /nfs/dbraw/zinc/52/15/68/1101521568.db2.gz YOBKWIDUTNVIAD-SJLPKXTDSA-N 0 3 372.465 4.117 20 5 FIBDHN CCOc1ccc([C@@H](C)NC[C@@H](c2ccco2)N2CCCC2)cc1[N+](=O)[O-] ZINC000152552937 1101905931 /nfs/dbraw/zinc/90/59/31/1101905931.db2.gz RQCMKNUZEFWPMP-QAPCUYQASA-N 0 3 373.453 4.074 20 5 FIBDHN CC(C)N(CCO)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000506761499 1102034312 /nfs/dbraw/zinc/03/43/12/1102034312.db2.gz YLWLMUUGCCMVPL-UHFFFAOYSA-N 0 3 364.829 4.243 20 5 FIBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccccc1Cn1cccn1)CCC2 ZINC000192625948 1102737184 /nfs/dbraw/zinc/73/71/84/1102737184.db2.gz ZGYZZTGOUZEMHY-NRFANRHFSA-N 0 3 362.433 4.007 20 5 FIBDHN Cc1cc(C)cc([C@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000538205433 1104019905 /nfs/dbraw/zinc/01/99/05/1104019905.db2.gz GSUFZSDJTNUWQQ-HOTGVXAUSA-N 0 3 355.438 4.198 20 5 FIBDHN CCC[C@H](NCc1cccc(Cn2cccn2)c1)c1cccc([N+](=O)[O-])c1 ZINC000129445196 1104067577 /nfs/dbraw/zinc/06/75/77/1104067577.db2.gz XYQLYZZBROYHEW-NRFANRHFSA-N 0 3 364.449 4.471 20 5 FIBDHN COc1ccc(OCCN2C[C@H](C)C[C@H]2c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000441338164 1104281754 /nfs/dbraw/zinc/28/17/54/1104281754.db2.gz SHXVDYDTCUTSQQ-KDOFPFPSSA-N 0 3 374.412 4.204 20 5 FIBDHN COc1ccc(OCCN2CCC[C@@H]2c2ccc(C)s2)c([N+](=O)[O-])c1 ZINC000441394357 1104328523 /nfs/dbraw/zinc/32/85/23/1104328523.db2.gz ONBHCXCBWKVFRT-OAHLLOKOSA-N 0 3 362.451 4.189 20 5 FIBDHN Cc1cc([C@@H](NCCc2cccc([N+](=O)[O-])c2)c2cccnc2)ccc1F ZINC000544381369 1106768967 /nfs/dbraw/zinc/76/89/67/1106768967.db2.gz NKNOEXVFJOGGSS-OAQYLSRUSA-N 0 3 365.408 4.359 20 5 FIBDHN COC[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1CC1 ZINC000121362247 1107516487 /nfs/dbraw/zinc/51/64/87/1107516487.db2.gz XBZNVZBIABVTJC-MRXNPFEDSA-N 0 3 350.802 4.023 20 5 FIBDHN Cc1nc2ccccc2n1C1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000475508715 1107608364 /nfs/dbraw/zinc/60/83/64/1107608364.db2.gz DYXILGRASWDXAL-UHFFFAOYSA-N 0 3 364.449 4.398 20 5 FIBDHN COc1cc(CNC2CC(C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000531207040 1107647931 /nfs/dbraw/zinc/64/79/31/1107647931.db2.gz VINPDLHWIKDDCY-UHFFFAOYSA-N 0 3 356.422 4.071 20 5 FIBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCc2ccc3[nH]ccc3c2)c1 ZINC000441229665 1109483854 /nfs/dbraw/zinc/48/38/54/1109483854.db2.gz JDVVXXFEPSOPEF-UHFFFAOYSA-N 0 3 361.348 4.010 20 5 FIBDHN CCOc1ccc([C@@H](C)NC[C@H](OCC)c2ccccc2)cc1[N+](=O)[O-] ZINC000447570105 1109577605 /nfs/dbraw/zinc/57/76/05/1109577605.db2.gz FMDJNKWYRYNMQJ-QRWLVFNGSA-N 0 3 358.438 4.422 20 5 FIBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C)c1nccn1-c1ccccc1 ZINC000449334347 1110039550 /nfs/dbraw/zinc/03/95/50/1110039550.db2.gz XALLESCAYXGMJI-HOTGVXAUSA-N 0 3 350.422 4.062 20 5 FIBDHN CC(C)(CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccn1 ZINC000449393108 1110050391 /nfs/dbraw/zinc/05/03/91/1110050391.db2.gz AXAYGCWWOVEKHT-UHFFFAOYSA-N 0 3 368.462 4.181 20 5 FIBDHN C[C@@H](c1cccs1)N(CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000478426343 1111778986 /nfs/dbraw/zinc/77/89/86/1111778986.db2.gz JQLOXPMYAXWKAA-HNNXBMFYSA-N 0 3 356.451 4.116 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCNC1(c2ccc(Cl)cc2)CC1 ZINC000553002773 1111878587 /nfs/dbraw/zinc/87/85/87/1111878587.db2.gz ITTHVIIWIDCUQC-UHFFFAOYSA-N 0 3 373.840 4.164 20 5 FIBDHN Cc1ccc([C@@H](C)NC[C@H](c2ccco2)N2CCCCC2)cc1[N+](=O)[O-] ZINC000480088179 1112272891 /nfs/dbraw/zinc/27/28/91/1112272891.db2.gz CXIBUKDKOYMEFW-VQIMIIECSA-N 0 3 357.454 4.374 20 5 FIBDHN CCOc1cc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)ccc1OC ZINC000192865304 1113019860 /nfs/dbraw/zinc/01/98/60/1113019860.db2.gz RMWVMTOVJWCQCY-GOSISDBHSA-N 0 3 356.422 4.169 20 5 FIBDHN Cc1c(NC(=O)[C@@H](C)N[C@H](c2ccccc2)C(C)C)cccc1[N+](=O)[O-] ZINC000027449316 1113646402 /nfs/dbraw/zinc/64/64/02/1113646402.db2.gz UJCKGFFSBLREJG-BEFAXECRSA-N 0 3 355.438 4.217 20 5 FIBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000488044516 1113846265 /nfs/dbraw/zinc/84/62/65/1113846265.db2.gz PWQVIAGKIKJFPO-JKSUJKDBSA-N 0 3 353.422 4.007 20 5 FIBDHN CC(=O)c1cc(NC[C@@H]2CCCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000587528790 1114446936 /nfs/dbraw/zinc/44/69/36/1114446936.db2.gz TWGMJWOZJXSHAS-SFHVURJKSA-N 0 3 367.449 4.122 20 5 FIBDHN O=[N+]([O-])c1ccccc1CN(C/C=C/c1ccccc1)[C@H]1CC[C@H](O)CC1 ZINC000592131239 1115205330 /nfs/dbraw/zinc/20/53/30/1115205330.db2.gz UQZNFNLLMHDAEZ-ZJQVQRCTSA-N 0 3 366.461 4.414 20 5 FIBDHN CN(Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000595431743 1115535996 /nfs/dbraw/zinc/53/59/96/1115535996.db2.gz GYZRKJKGQZNMHA-HKUYNNGSSA-N 0 3 362.376 4.225 20 5 FIBDHN CCOc1ccc([C@@H](C)NC[C@@H](OC)c2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000599054590 1115786075 /nfs/dbraw/zinc/78/60/75/1115786075.db2.gz CHOMWDXTUUVHHY-JLTOFOAXSA-N 0 3 374.437 4.040 20 5 FIBDHN COc1ccc([C@@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C2CC2)cn1 ZINC000599095972 1115789182 /nfs/dbraw/zinc/78/91/82/1115789182.db2.gz JPXGRRRNXVAOEN-QUCCMNQESA-N 0 3 353.422 4.117 20 5 FIBDHN O=[N+]([O-])c1c(NCCCN2CCc3ccccc3C2)ccc2ncccc21 ZINC000603848811 1115821167 /nfs/dbraw/zinc/82/11/67/1115821167.db2.gz PLFSLAGHXUADBM-UHFFFAOYSA-N 0 3 362.433 4.003 20 5 FIBDHN CCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](CC)c1ccccc1 ZINC000604492851 1115867715 /nfs/dbraw/zinc/86/77/15/1115867715.db2.gz INPJBEVBFZVJKJ-GOSISDBHSA-N 0 3 355.438 4.057 20 5 FIBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCc2ccccc2Cl)c1 ZINC000604532618 1115869348 /nfs/dbraw/zinc/86/93/48/1115869348.db2.gz DNOGJMJUORRSRQ-UHFFFAOYSA-N 0 3 356.756 4.182 20 5 FIBDHN CCOCc1ccccc1CN[C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000152720263 1116282369 /nfs/dbraw/zinc/28/23/69/1116282369.db2.gz OIQGTXULWTUTDN-OAHLLOKOSA-N 0 3 358.438 4.381 20 5 FIBDHN CC(C)[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000152768916 1116323849 /nfs/dbraw/zinc/32/38/49/1116323849.db2.gz CLXPOJIVPTXCOE-JLTOFOAXSA-N 0 3 356.422 4.414 20 5 FIBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](CC(C)C)c1ccccc1 ZINC000540341792 1118001944 /nfs/dbraw/zinc/00/19/44/1118001944.db2.gz VZXJFHYZGDVARZ-QGZVFWFLSA-N 0 3 355.438 4.219 20 5 FIBDHN O=[N+]([O-])c1ccccc1CN(CCCOc1ccccc1)C1CCOCC1 ZINC000464593587 1118619741 /nfs/dbraw/zinc/61/97/41/1118619741.db2.gz DJQDZWVXZASAFO-UHFFFAOYSA-N 0 3 370.449 4.045 20 5 FIBDHN COCCOc1ccc([C@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000090217470 1118711265 /nfs/dbraw/zinc/71/12/65/1118711265.db2.gz MQKAFGZJLIHZDV-JKSUJKDBSA-N 0 3 358.438 4.340 20 5 FIBDHN COc1ccc(-c2ccc(CNC[C@H](OC)C(C)(C)C)o2)c([N+](=O)[O-])c1 ZINC000465011000 1118789311 /nfs/dbraw/zinc/78/93/11/1118789311.db2.gz KOGFQKOTHHXTOH-SFHVURJKSA-N 0 3 362.426 4.014 20 5 FIBDHN COCCCOc1cccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000193041744 1118891326 /nfs/dbraw/zinc/89/13/26/1118891326.db2.gz GVOBQCDJIGYCLK-NRFANRHFSA-N 0 3 370.449 4.177 20 5 FIBDHN COc1cc(CN[C@@H](C)[C@@H](OC)c2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000492781536 1119187608 /nfs/dbraw/zinc/18/76/08/1119187608.db2.gz DBBGNRQGOQQYQT-KPZWWZAWSA-N 0 3 364.829 4.123 20 5 FIBDHN CC(=O)c1ccc2c(c1)CCN([C@@H](C)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC000492804083 1119190769 /nfs/dbraw/zinc/19/07/69/1119190769.db2.gz CEKVTBCPEAJSSI-HNNXBMFYSA-N 0 3 352.434 4.268 20 5 FIBDHN CC(C)[C@H](O)C(C)(C)CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000494715088 1120079656 /nfs/dbraw/zinc/07/96/56/1120079656.db2.gz LSPCFQYPMAZEAD-PMACEKPBSA-N 0 3 356.466 4.317 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000153656224 1121007079 /nfs/dbraw/zinc/00/70/79/1121007079.db2.gz JMDAWNOUGGTOIR-CQSZACIVSA-N 0 3 354.385 4.079 20 5 FIBDHN COc1ccc(C[C@H](C)CN(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000090620630 1121073602 /nfs/dbraw/zinc/07/36/02/1121073602.db2.gz LXJFQEFHLIAWEN-AWEZNQCLSA-N 0 3 369.421 4.055 20 5 FIBDHN O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c(Cl)c1 ZINC000326406443 1121160701 /nfs/dbraw/zinc/16/07/01/1121160701.db2.gz IXTSMUQFNVYLAJ-JQHSSLGASA-N 0 3 352.862 4.154 20 5 FIBDHN CC(C)n1cc2c(n1)[C@H](N[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CCC2 ZINC000765812313 1122102133 /nfs/dbraw/zinc/10/21/33/1122102133.db2.gz AHOMLQAFEUTJMZ-RTBURBONSA-N 0 3 368.481 4.361 20 5 FIBDHN CN(C)[C@H](CNc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1cccs1 ZINC000497966350 1122486673 /nfs/dbraw/zinc/48/66/73/1122486673.db2.gz RTEQXJDODSDVBU-CYBMUJFWSA-N 0 3 359.373 4.390 20 5 FIBDHN C[C@@H](N[C@H](C)c1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000499249691 1123359452 /nfs/dbraw/zinc/35/94/52/1123359452.db2.gz VFTXKNGJIVHZSR-HUUCEWRRSA-N 0 3 367.449 4.151 20 5 FIBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCCO[C@@H](c2ccccc2)C1 ZINC000615834327 1124127621 /nfs/dbraw/zinc/12/76/21/1124127621.db2.gz AOAOUWYRCXSSAW-RYEVTAHJSA-N 0 3 352.434 4.462 20 5 FIBDHN Cc1c([C@@H](C)NCc2ccc(-n3ccnc3)c(F)c2)cccc1[N+](=O)[O-] ZINC000153656442 1124183642 /nfs/dbraw/zinc/18/36/42/1124183642.db2.gz DDEQFUMNXKERMO-CQSZACIVSA-N 0 3 354.385 4.079 20 5 FIBDHN Cc1nccn1-c1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1F ZINC000153714532 1124360938 /nfs/dbraw/zinc/36/09/38/1124360938.db2.gz WWPUKHMXGZYYDR-AWEZNQCLSA-N 0 3 368.412 4.387 20 5 FIBDHN CCCN(Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000542929388 1124889222 /nfs/dbraw/zinc/88/92/22/1124889222.db2.gz XXMRHQDFCSIWCI-USXIJHARSA-N 0 3 352.862 4.274 20 5 FIBDHN COC(=O)c1cc2cc(CN[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)ccc2o1 ZINC000181809063 1125141682 /nfs/dbraw/zinc/14/16/82/1125141682.db2.gz JOXFZBPJLDOCSA-CYBMUJFWSA-N 0 3 368.389 4.287 20 5 FIBDHN C[C@@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1cccc(F)c1F ZINC000181961528 1125191217 /nfs/dbraw/zinc/19/12/17/1125191217.db2.gz RLJUIHNUGJMVFG-GFCCVEGCSA-N 0 3 373.359 4.421 20 5 FIBDHN Cc1c([C@H](C)N[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000182160307 1125271383 /nfs/dbraw/zinc/27/13/83/1125271383.db2.gz WXWIKYDFAOQLDM-OYYNGEPBSA-N 0 3 362.376 4.362 20 5 FIBDHN C[C@@H](N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000618984261 1125411323 /nfs/dbraw/zinc/41/13/23/1125411323.db2.gz IHOWVLUIZGUCGI-ZMZPIMSZSA-N 0 3 366.421 4.250 20 5 FIBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@@H]1c2ccccc2CC12CCOCC2 ZINC000568804219 568226741 /nfs/dbraw/zinc/22/67/41/568226741.db2.gz KVSBRPAZTNJWMO-HUCIYCNJSA-N 0 3 364.445 4.292 20 5 FIBDHN Cc1ccc([C@@H](CN[C@H](C)c2cccc([N+](=O)[O-])c2C)N2CCCC2)o1 ZINC000482014307 568230676 /nfs/dbraw/zinc/23/06/76/568230676.db2.gz JGNYYEVOFYWQKP-VQIMIIECSA-N 0 3 357.454 4.292 20 5 FIBDHN CCN(CC)[C@@H](CNc1ccc(C(C)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000007980115 568273368 /nfs/dbraw/zinc/27/33/68/568273368.db2.gz BXDJXOKQLSWWJO-FQEVSTJZSA-N 0 3 355.438 4.292 20 5 FIBDHN Cc1nccn1CCN[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482109919 568275551 /nfs/dbraw/zinc/27/55/51/568275551.db2.gz MCAQFWLFXBXCAZ-CYBMUJFWSA-N 0 3 356.451 4.179 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCCN2c3ccccc3C[C@H]2C1 ZINC000570607354 568490763 /nfs/dbraw/zinc/49/07/63/568490763.db2.gz RFCSOCWLWUUFKN-APWZRJJASA-N 0 3 351.450 4.101 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCCN2c3ccccc3C[C@@H]2C1 ZINC000570607357 568490785 /nfs/dbraw/zinc/49/07/85/568490785.db2.gz RFCSOCWLWUUFKN-VQIMIIECSA-N 0 3 351.450 4.101 20 5 FIBDHN C[C@@H](N[C@@H](CN1CCCCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000610420444 1081835769 /nfs/dbraw/zinc/83/57/69/1081835769.db2.gz IAWPQWRURWCKGM-UTKZUKDTSA-N 0 3 353.466 4.473 20 5 FIBDHN C[C@H](N[C@H](CN1CCCCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000610420443 1081835856 /nfs/dbraw/zinc/83/58/56/1081835856.db2.gz IAWPQWRURWCKGM-LAUBAEHRSA-N 0 3 353.466 4.473 20 5 FIBDHN CC[C@@H](NCc1ccccc1Cn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000119267195 1082072760 /nfs/dbraw/zinc/07/27/60/1082072760.db2.gz QLNCGUHBIBDTCE-HXUWFJFHSA-N 0 3 350.422 4.081 20 5 FIBDHN Cc1ccc([C@H](C)N[C@H](C)c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000178020548 1082589635 /nfs/dbraw/zinc/58/96/35/1082589635.db2.gz CHSUERDYNBHYNT-LSDHHAIUSA-N 0 3 356.422 4.476 20 5 FIBDHN CCC[C@@H](NCc1ccc(-n2cccn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178090211 1082731647 /nfs/dbraw/zinc/73/16/47/1082731647.db2.gz YMYWRJFZJSNXNR-HXUWFJFHSA-N 0 3 350.422 4.412 20 5 FIBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCC([C@@H]4CCCO4)CC3)o2)c1 ZINC000188244611 1083378123 /nfs/dbraw/zinc/37/81/23/1083378123.db2.gz ZZFGYZZNDDIBIG-IBGZPJMESA-N 0 3 356.422 4.246 20 5 FIBDHN CC[C@@H](N[C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1cccc([N+](=O)[O-])c1 ZINC000610799732 1083705505 /nfs/dbraw/zinc/70/55/05/1083705505.db2.gz LJVFTUYUSDQQIF-SCLBCKFNSA-N 0 3 353.422 4.281 20 5 FIBDHN C[C@H](N[C@@H](CN1CCCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000610809710 1083719634 /nfs/dbraw/zinc/71/96/34/1083719634.db2.gz PVVYUSJOUKHGOU-UWJYYQICSA-N 0 3 353.466 4.473 20 5 FIBDHN CCC[C@@H](N[C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1cccc([N+](=O)[O-])c1 ZINC000610818814 1083747510 /nfs/dbraw/zinc/74/75/10/1083747510.db2.gz XZLJGZZSQVOXGT-BLLLJJGKSA-N 0 3 354.410 4.369 20 5 FIBDHN Cc1c(CN[C@H]2CCc3c2cccc3Br)cccc1[N+](=O)[O-] ZINC000389407844 1083798842 /nfs/dbraw/zinc/79/88/42/1083798842.db2.gz KNMDHBMIEDXRAE-INIZCTEOSA-N 0 3 361.239 4.443 20 5 FIBDHN CC[C@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000178479079 1083982450 /nfs/dbraw/zinc/98/24/50/1083982450.db2.gz XPYFUGBUJVFSKJ-YOEHRIQHSA-N 0 3 356.422 4.476 20 5 FIBDHN Cc1ccc([C@@H](C)N[C@H](C)c2cccc(N3CCOC3=O)c2)cc1[N+](=O)[O-] ZINC000156993308 1084287576 /nfs/dbraw/zinc/28/75/76/1084287576.db2.gz DBBAPJAPLWEVIM-HUUCEWRRSA-N 0 3 369.421 4.272 20 5 FIBDHN CN(C)C[C@H](NC/C=C\c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000563249737 1084633300 /nfs/dbraw/zinc/63/33/00/1084633300.db2.gz KIPHOGYGOSUOCL-YEODSOHDSA-N 0 3 359.857 4.154 20 5 FIBDHN C[C@H](Cc1ccsc1)N(C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001167582217 1085102981 /nfs/dbraw/zinc/10/29/81/1085102981.db2.gz MKGYPJMCARBFRH-LLVKDONJSA-N 0 3 369.284 4.482 20 5 FIBDHN CC[C@H](C)N[C@H](CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)c1ccco1 ZINC000479611887 1085231539 /nfs/dbraw/zinc/23/15/39/1085231539.db2.gz ABPIOEWMTSDMCN-GOEBONIOSA-N 0 3 374.441 4.056 20 5 FIBDHN O=[N+]([O-])c1ccc2[nH]c(CN3C[C@H](c4ccccc4)[C@@H]4CCC[C@@H]43)nc2c1 ZINC000511878139 1085276131 /nfs/dbraw/zinc/27/61/31/1085276131.db2.gz WTBNMVWHEBAPLZ-QKLQHJQFSA-N 0 3 362.433 4.239 20 5 FIBDHN C[C@H](CN(C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1nccs1 ZINC000549545465 1085529647 /nfs/dbraw/zinc/52/96/47/1085529647.db2.gz VDRPMKKEGUVDHP-SNVBAGLBSA-N 0 3 359.373 4.306 20 5 FIBDHN C[C@@H](NCc1cc(N(C)C)nc2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000178660840 1085679724 /nfs/dbraw/zinc/67/97/24/1085679724.db2.gz FNTKYHPSMBHAAD-CQSZACIVSA-N 0 3 350.422 4.060 20 5 FIBDHN CCn1nc(C)c(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1C ZINC000066995481 1086798853 /nfs/dbraw/zinc/79/88/53/1086798853.db2.gz CHRINCUZDGCECW-UHFFFAOYSA-N 0 3 370.478 4.446 20 5 FIBDHN Cc1cc(NC2CC(N3CCC(C(F)(F)F)CC3)C2)ccc1[N+](=O)[O-] ZINC000480547141 1087528421 /nfs/dbraw/zinc/52/84/21/1087528421.db2.gz BVJYXSOHVPDQQF-UHFFFAOYSA-N 0 3 357.376 4.120 20 5 FIBDHN Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2CCCN(C)[C@H]2c2cccs2)n1 ZINC000541007204 1088204543 /nfs/dbraw/zinc/20/45/43/1088204543.db2.gz REVAIYSJRSZSMM-RHSMWYFYSA-N 0 3 360.483 4.163 20 5 FIBDHN CSc1ccc([C@@H](CNc2ncc(Cl)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000549284273 1089559657 /nfs/dbraw/zinc/55/96/57/1089559657.db2.gz NFQPANIHIYVYPY-OAHLLOKOSA-N 0 3 366.874 4.080 20 5 FIBDHN CCOc1ccc([C@H](C)N[C@H](c2ccccc2)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000378391447 1090342527 /nfs/dbraw/zinc/34/25/27/1090342527.db2.gz DJJHQFADEZRTAJ-RRMPHLOHSA-N 0 3 370.449 4.422 20 5 FIBDHN CC[C@@]1(NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCOC1 ZINC000616487707 1090609060 /nfs/dbraw/zinc/60/90/60/1090609060.db2.gz JWMMBARJJFNPJT-LJQANCHMSA-N 0 3 360.385 4.185 20 5 FIBDHN COCCNc1ccc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417312825 1090806482 /nfs/dbraw/zinc/80/64/82/1090806482.db2.gz OGBJXXIYIGZDEV-OAQYLSRUSA-N 0 3 369.465 4.210 20 5 FIBDHN COCCOc1cccc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417330900 1090820999 /nfs/dbraw/zinc/82/09/99/1090820999.db2.gz VROFXMDRJQIMMG-NRFANRHFSA-N 0 3 370.449 4.177 20 5 FIBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCc1ccc(F)cc1Cl ZINC000500864817 1092755473 /nfs/dbraw/zinc/75/54/73/1092755473.db2.gz CZXKVOAYXFFCEP-UHFFFAOYSA-N 0 3 352.793 4.118 20 5 FIBDHN CN(C)[C@@H]1CCOc2c(Nc3ccc4ncccc4c3[N+](=O)[O-])cccc21 ZINC000432921540 1092956401 /nfs/dbraw/zinc/95/64/01/1092956401.db2.gz DBYCQNIAUMRFDV-GOSISDBHSA-N 0 3 364.405 4.272 20 5 FIBDHN CCOc1cc(Nc2cccc3c2OCC[C@@H]3N(C)C)ccc1[N+](=O)[O-] ZINC000432929246 1092962657 /nfs/dbraw/zinc/96/26/57/1092962657.db2.gz QGFUHJIMJXWUQF-INIZCTEOSA-N 0 3 357.410 4.122 20 5 FIBDHN C[C@H](N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)OCCO2 ZINC000433129688 1093306599 /nfs/dbraw/zinc/30/65/99/1093306599.db2.gz OQPLOLOXDONILB-SCLBCKFNSA-N 0 3 368.433 4.439 20 5 FIBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000433278241 1093520334 /nfs/dbraw/zinc/52/03/34/1093520334.db2.gz GFAMHZLABDDFFA-INIZCTEOSA-N 0 3 357.429 4.003 20 5 FIBDHN O=C(CCN1CC[C@@H](c2cccc(Cl)c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000433308186 1093574156 /nfs/dbraw/zinc/57/41/56/1093574156.db2.gz XRFTWRGYMXNZQG-OAHLLOKOSA-N 0 3 373.840 4.066 20 5 FIBDHN C[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2n1C(F)F ZINC000513204585 1094006326 /nfs/dbraw/zinc/00/63/26/1094006326.db2.gz GUMJBBQEDYZIQS-LBPRGKRZSA-N 0 3 360.364 4.233 20 5 FIBDHN C[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1 ZINC000182630513 1094140809 /nfs/dbraw/zinc/14/08/09/1094140809.db2.gz KZGUBBUWAOEXJN-CYBMUJFWSA-N 0 3 353.378 4.020 20 5 FIBDHN O=[N+]([O-])c1cccc(-c2nc(CNC[C@H]3CCC(F)(F)C3)cs2)c1 ZINC000430022646 1094192158 /nfs/dbraw/zinc/19/21/58/1094192158.db2.gz VGTMCZCZHNKUNN-NSHDSACASA-N 0 3 353.394 4.243 20 5 FIBDHN C[C@H]1c2ccccc2CCN1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000513665364 1094271703 /nfs/dbraw/zinc/27/17/03/1094271703.db2.gz DVTVGPGWDCOBBH-HNNXBMFYSA-N 0 3 362.433 4.115 20 5 FIBDHN CCCn1nccc1C1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000502314474 1095364502 /nfs/dbraw/zinc/36/45/02/1095364502.db2.gz UKHKDGFTHBUALV-VKAVYKQESA-N 0 3 368.481 4.484 20 5 FIBDHN CC[C@H](C)[C@H](C)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000532966466 1098635148 /nfs/dbraw/zinc/63/51/48/1098635148.db2.gz JHGWGKNAFOMNCU-RYUDHWBXSA-N 0 3 353.850 4.086 20 5 FIBDHN C[C@@H](N[C@@H](c1ccccc1)C1CCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000533045255 1098710509 /nfs/dbraw/zinc/71/05/09/1098710509.db2.gz AHDKRZUZPVVBBD-KUHUBIRLSA-N 0 3 353.422 4.053 20 5 FIBDHN O=[N+]([O-])c1ccccc1OCCN1CCC(CCc2ccc(O)cc2)CC1 ZINC000516295919 1099341971 /nfs/dbraw/zinc/34/19/71/1099341971.db2.gz ISBQHWCSLDIBBU-UHFFFAOYSA-N 0 3 370.449 4.024 20 5 FIBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCC2(CCCC2)C1 ZINC000615000783 1099500755 /nfs/dbraw/zinc/50/07/55/1099500755.db2.gz UHLVZIKJVMXTGL-AWEZNQCLSA-N 0 3 356.426 4.362 20 5 FIBDHN CN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H](CCO)c1ccccc1 ZINC000536669658 1100154302 /nfs/dbraw/zinc/15/43/02/1100154302.db2.gz XOPFRXHPIUIWFL-FQEVSTJZSA-N 0 3 366.417 4.410 20 5 FIBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC2(CC1)OCCc1ccccc12 ZINC000459508134 1100264284 /nfs/dbraw/zinc/26/42/84/1100264284.db2.gz AVLHLTFYJSDSIR-MRXNPFEDSA-N 0 3 352.434 4.220 20 5 FIBDHN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C[C@H]1CCCO1 ZINC000506425092 1100997607 /nfs/dbraw/zinc/99/76/07/1100997607.db2.gz ZVWNXQAYQIPUKC-CYBMUJFWSA-N 0 3 350.802 4.119 20 5 FIBDHN Cc1cc([N+](=O)[O-])ccc1CN(Cc1ccc(F)cc1)C1CCOCC1 ZINC000426404792 1101511949 /nfs/dbraw/zinc/51/19/49/1101511949.db2.gz OKARBDOHMZZDSL-UHFFFAOYSA-N 0 3 358.413 4.224 20 5 FIBDHN O=[N+]([O-])c1cc(CN[C@H]2CC23CC(O)C3)ccc1Oc1ccccc1Cl ZINC000897853573 1102144104 /nfs/dbraw/zinc/14/41/04/1102144104.db2.gz VWCYTECYEUOYGJ-SZSCYUJKSA-N 0 3 374.824 4.044 20 5 FIBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1ccc(Cl)s1 ZINC000026250767 1102303887 /nfs/dbraw/zinc/30/38/87/1102303887.db2.gz CBJKFRKXPRKLCH-UHFFFAOYSA-N 0 3 367.858 4.079 20 5 FIBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@H](COCc2ccccc2)C1 ZINC000537651175 1102713664 /nfs/dbraw/zinc/71/36/64/1102713664.db2.gz ZJGWZLNDHCEWHC-IUYMFKLXSA-N 0 3 352.434 4.147 20 5 FIBDHN CN(CCCc1cc(-c2ccccc2)n[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC000507661235 1103599914 /nfs/dbraw/zinc/59/99/14/1103599914.db2.gz SMXDFMMOKVJWDV-UHFFFAOYSA-N 0 3 350.422 4.050 20 5 FIBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C[C@H]1CCCO1)C1CCCC1 ZINC000441445860 1104732111 /nfs/dbraw/zinc/73/21/11/1104732111.db2.gz WWVHKACIFVOBEH-LJQANCHMSA-N 0 3 362.470 4.306 20 5 FIBDHN CC(C)(O)[C@H]1CCCN1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000428079063 1105365538 /nfs/dbraw/zinc/36/55/38/1105365538.db2.gz OWXWWUOQTDCFMB-LJQANCHMSA-N 0 3 374.412 4.262 20 5 FIBDHN COC[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1CC1 ZINC000121362103 1107484930 /nfs/dbraw/zinc/48/49/30/1107484930.db2.gz XBZNVZBIABVTJC-INIZCTEOSA-N 0 3 350.802 4.023 20 5 FIBDHN O=[N+]([O-])c1cccc(-c2ccc(CNCCOc3ccc(F)cc3)o2)c1 ZINC000520206680 1108019889 /nfs/dbraw/zinc/01/98/89/1108019889.db2.gz AGZGEORQRIVRSO-UHFFFAOYSA-N 0 3 356.353 4.163 20 5 FIBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3CCc4ccccc4C3)cs2)c1 ZINC000524305841 1108959067 /nfs/dbraw/zinc/95/90/67/1108959067.db2.gz VAXRFEURVJCAKR-QGZVFWFLSA-N 0 3 365.458 4.365 20 5 FIBDHN Cc1ccc([C@H](C)NCc2cn(C)nc2-c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000449171468 1109987827 /nfs/dbraw/zinc/98/78/27/1109987827.db2.gz KPRAKFUCRXTEJZ-AWEZNQCLSA-N 0 3 368.412 4.294 20 5 FIBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C)c1nccn1-c1ccccc1 ZINC000449334346 1110039923 /nfs/dbraw/zinc/03/99/23/1110039923.db2.gz XALLESCAYXGMJI-CVEARBPZSA-N 0 3 350.422 4.062 20 5 FIBDHN O=[N+]([O-])c1cccc(-c2nc(CNC[C@H]3CCOC4(CCC4)C3)cs2)c1 ZINC000449476483 1110084733 /nfs/dbraw/zinc/08/47/33/1110084733.db2.gz NDYNXXHXBIQFHD-AWEZNQCLSA-N 0 3 373.478 4.157 20 5 FIBDHN CC[C@H](NCCOc1ccc(OC)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000539315370 1111509302 /nfs/dbraw/zinc/50/93/02/1111509302.db2.gz IDHIWJYPFRKKTK-INIZCTEOSA-N 0 3 366.364 4.001 20 5 FIBDHN COc1cc2c(cc1OC)[C@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000479384459 1112006106 /nfs/dbraw/zinc/00/61/06/1112006106.db2.gz DDLKPNQZSXHGSA-SUMWQHHRSA-N 0 3 356.422 4.259 20 5 FIBDHN Cc1ccc([C@H](C)NC[C@@H](c2ccco2)N2CCCCC2)cc1[N+](=O)[O-] ZINC000480088177 1112273013 /nfs/dbraw/zinc/27/30/13/1112273013.db2.gz CXIBUKDKOYMEFW-LPHOPBHVSA-N 0 3 357.454 4.374 20 5 FIBDHN CCC(=O)c1ccc(NC[C@@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000480495400 1112447751 /nfs/dbraw/zinc/44/77/51/1112447751.db2.gz IEJIVJLOBLHKOM-KRWDZBQOSA-N 0 3 367.449 4.122 20 5 FIBDHN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC[C@@H]2C2CCOCC2)c1 ZINC000555422399 1112828815 /nfs/dbraw/zinc/82/88/15/1112828815.db2.gz YOUDTCLUXSZFDS-MRXNPFEDSA-N 0 3 358.360 4.005 20 5 FIBDHN Cc1ccc(C(=O)C2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 ZINC000555432152 1112840629 /nfs/dbraw/zinc/84/06/29/1112840629.db2.gz HUJILYNEJDVEOR-UHFFFAOYSA-N 0 3 366.461 4.349 20 5 FIBDHN CCOc1cc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)ccc1OC ZINC000192865319 1113019728 /nfs/dbraw/zinc/01/97/28/1113019728.db2.gz RMWVMTOVJWCQCY-SFHVURJKSA-N 0 3 356.422 4.169 20 5 FIBDHN CCCCNC(=O)c1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000160109057 1113301448 /nfs/dbraw/zinc/30/14/48/1113301448.db2.gz SOKUYAHSZCMVMR-INIZCTEOSA-N 0 3 369.465 4.284 20 5 FIBDHN CC1(C)CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CCc2ccccc21 ZINC000911595257 1114001909 /nfs/dbraw/zinc/00/19/09/1114001909.db2.gz BEQRUIIMWDSVJU-UHFFFAOYSA-N 0 3 351.406 4.072 20 5 FIBDHN Cc1ccc([C@@H]2C[C@@H](C)N(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)cc1 ZINC000490083928 1114216371 /nfs/dbraw/zinc/21/63/71/1114216371.db2.gz VECSPTUTRZSQDP-NVXWUHKLSA-N 0 3 368.433 4.148 20 5 FIBDHN Cc1c([C@@H](C)NCc2ccc(N3CCCCC3=O)cc2)cccc1[N+](=O)[O-] ZINC000151047226 1114281189 /nfs/dbraw/zinc/28/11/89/1114281189.db2.gz TWPQQTLFPVBNBH-MRXNPFEDSA-N 0 3 367.449 4.271 20 5 FIBDHN CCOc1ccc([C@@H](C)N[C@H](C)c2ccc3n[nH]cc3c2)cc1[N+](=O)[O-] ZINC000586795567 1114394777 /nfs/dbraw/zinc/39/47/77/1114394777.db2.gz RIUVPISHRSBBGK-CHWSQXEVSA-N 0 3 354.410 4.282 20 5 FIBDHN CN(C)[C@H](CNc1ccc(C(F)F)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000589103480 1114696943 /nfs/dbraw/zinc/69/69/43/1114696943.db2.gz MCJXGCWTJUDSLS-MRXNPFEDSA-N 0 3 353.344 4.386 20 5 FIBDHN Cc1c(NC(=O)CCNC2(c3ccccc3F)CCC2)cccc1[N+](=O)[O-] ZINC000592144555 1115208208 /nfs/dbraw/zinc/20/82/08/1115208208.db2.gz MZNRFPDEKCBPJY-UHFFFAOYSA-N 0 3 371.412 4.040 20 5 FIBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000595003881 1115507326 /nfs/dbraw/zinc/50/73/26/1115507326.db2.gz MRNPNNUTUZWSME-UZLBHIALSA-N 0 3 369.465 4.091 20 5 FIBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H](CN1CCCC1)c1ccccc1 ZINC000595003880 1115507537 /nfs/dbraw/zinc/50/75/37/1115507537.db2.gz MRNPNNUTUZWSME-OXQOHEQNSA-N 0 3 369.465 4.091 20 5 FIBDHN CS[C@@H]1CCCC[C@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000593654114 1115774058 /nfs/dbraw/zinc/77/40/58/1115774058.db2.gz QHCBVLDGISSSRB-HZPDHXFCSA-N 0 3 363.508 4.482 20 5 FIBDHN CN(C)C[C@H](Nc1ccc([N+](=O)[O-])nc1)c1ccc(Cl)c(Cl)c1 ZINC000599172872 1115797321 /nfs/dbraw/zinc/79/73/21/1115797321.db2.gz VLLWLVCMPQZVPM-AWEZNQCLSA-N 0 3 355.225 4.011 20 5 FIBDHN CCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](CC)c1ccccc1 ZINC000604492852 1115867600 /nfs/dbraw/zinc/86/76/00/1115867600.db2.gz INPJBEVBFZVJKJ-SFHVURJKSA-N 0 3 355.438 4.057 20 5 FIBDHN C[C@H](CO)NCc1ccc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 ZINC000462734213 1117741245 /nfs/dbraw/zinc/74/12/45/1117741245.db2.gz IPXQUAFLCCWNAV-CQSZACIVSA-N 0 3 358.438 4.155 20 5 FIBDHN C[C@@H]1C[C@@H]1[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000540522498 1118106602 /nfs/dbraw/zinc/10/66/02/1118106602.db2.gz SXUQKVJBFSSEMJ-YFROIQMUSA-N 0 3 373.840 4.174 20 5 FIBDHN CCS[C@H]1CC[C@H](N(C)Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000464780446 1118692084 /nfs/dbraw/zinc/69/20/84/1118692084.db2.gz SUFHBRFYLZMNSO-RDJZCZTQSA-N 0 3 352.500 4.488 20 5 FIBDHN C[C@H]1CCCC[C@@H]1OCCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464783561 1118693380 /nfs/dbraw/zinc/69/33/80/1118693380.db2.gz MGQNPPYUWMBDDI-JXFKEZNVSA-N 0 3 362.470 4.033 20 5 FIBDHN O=[N+]([O-])c1ccc(CN(CCCO)[C@@H]2CCc3ccccc32)cc1Cl ZINC000761510137 1119404632 /nfs/dbraw/zinc/40/46/32/1119404632.db2.gz DOZBZNVQCSOWPC-GOSISDBHSA-N 0 3 360.841 4.120 20 5 FIBDHN C[C@H](COc1ccc(F)cc1F)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761521457 1119409242 /nfs/dbraw/zinc/40/92/42/1119409242.db2.gz HHFBXEPTMDFHND-SNVBAGLBSA-N 0 3 356.756 4.084 20 5 FIBDHN Cc1c(CN[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000494450274 1119864782 /nfs/dbraw/zinc/86/47/82/1119864782.db2.gz DARRXSRMMQIDHY-WMZOPIPTSA-N 0 3 364.804 4.316 20 5 FIBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCc2c1cccc2Br ZINC000542707417 1122305255 /nfs/dbraw/zinc/30/52/55/1122305255.db2.gz ZSVGPEPOBXOPCW-KRWDZBQOSA-N 0 3 361.239 4.443 20 5 FIBDHN C[C@@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1Cl ZINC000765846179 1122317191 /nfs/dbraw/zinc/31/71/91/1122317191.db2.gz UPNRUIRNWCHIRN-BMIGLBTASA-N 0 3 355.221 4.286 20 5 FIBDHN COc1ccc(CNCCOc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] ZINC000609287599 1122824037 /nfs/dbraw/zinc/82/40/37/1122824037.db2.gz BEYKVAQZXQETRG-UHFFFAOYSA-N 0 3 371.220 4.079 20 5 FIBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(-n2cccn2)cc1 ZINC000064350177 1123705959 /nfs/dbraw/zinc/70/59/59/1123705959.db2.gz RJFJECQQWRNXDF-UHFFFAOYSA-N 0 3 350.422 4.191 20 5 FIBDHN Cc1nn(C)cc1[C@H](C)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000237582161 1123989356 /nfs/dbraw/zinc/98/93/56/1123989356.db2.gz FWQYVJQLOSESCI-LBPRGKRZSA-N 0 3 356.451 4.216 20 5 FIBDHN Cc1cccc(C(C)(C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000179584350 1124008986 /nfs/dbraw/zinc/00/89/86/1124008986.db2.gz OSOXWUPFFJLMMZ-UHFFFAOYSA-N 0 3 361.829 4.020 20 5 FIBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCCO[C@@H](c2ccccc2)C1 ZINC000615834328 1124127911 /nfs/dbraw/zinc/12/79/11/1124127911.db2.gz AOAOUWYRCXSSAW-WYPWOVKWSA-N 0 3 352.434 4.462 20 5 FIBDHN Cc1c([C@H](C)NCc2cn(C)nc2-c2ccccc2)cccc1[N+](=O)[O-] ZINC000180413134 1124322341 /nfs/dbraw/zinc/32/23/41/1124322341.db2.gz KPYFRQDAGLWXDP-HNNXBMFYSA-N 0 3 350.422 4.155 20 5 FIBDHN CCCN(Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000542929386 1124888912 /nfs/dbraw/zinc/88/89/12/1124888912.db2.gz XXMRHQDFCSIWCI-OIISXLGYSA-N 0 3 352.862 4.274 20 5 FIBDHN COc1cccc(CCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000113322861 1125151108 /nfs/dbraw/zinc/15/11/08/1125151108.db2.gz KNLQQRWWVJBZOC-UHFFFAOYSA-N 0 3 369.446 4.059 20 5 FIBDHN CC(C)[C@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000584665114 567986248 /nfs/dbraw/zinc/98/62/48/567986248.db2.gz AENIFABBJYWNPJ-UWJYYQICSA-N 0 3 368.433 4.340 20 5 FIBDHN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC[C@@H]2[C@@H]2CCCOC2)c1 ZINC000568998107 568265551 /nfs/dbraw/zinc/26/55/51/568265551.db2.gz YGMYVAPFVGRGBP-MLGOLLRUSA-N 0 3 358.360 4.005 20 5 FIBDHN CCOc1ccc([C@H](C)NCC(C)(C)c2ncccc2C)cc1[N+](=O)[O-] ZINC000569973633 568445173 /nfs/dbraw/zinc/44/51/73/568445173.db2.gz KVHAZSXRDVSQDC-HNNXBMFYSA-N 0 3 357.454 4.325 20 5 FIBDHN CSc1ccc([C@H](CNC/C=C\c2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000570348351 568479691 /nfs/dbraw/zinc/47/96/91/568479691.db2.gz OQILIFWOYSBIAO-LZVBJTEYSA-N 0 3 371.506 4.222 20 5 FIBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCOC[C@@H](C4CCC4)C3)o2)c1 ZINC000430142928 1079594427 /nfs/dbraw/zinc/59/44/27/1079594427.db2.gz AYOSCLHZTUPJME-KRWDZBQOSA-N 0 3 356.422 4.103 20 5 FIBDHN COc1cc(CN2C[C@@H](C)CCC[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000610215343 1079986930 /nfs/dbraw/zinc/98/69/30/1079986930.db2.gz FAIJURMZSPQUOW-RYUDHWBXSA-N 0 3 358.385 4.215 20 5 FIBDHN COc1cc(CN2C[C@H](C)CCC[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000610215344 1079987056 /nfs/dbraw/zinc/98/70/56/1079987056.db2.gz FAIJURMZSPQUOW-VXGBXAGGSA-N 0 3 358.385 4.215 20 5 FIBDHN CC[C@@H](C)N[C@@H](CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)c1ccco1 ZINC000579878569 1080352223 /nfs/dbraw/zinc/35/22/23/1080352223.db2.gz PKUKECLQJFMLKZ-PBHICJAKSA-N 0 3 373.453 4.170 20 5 FIBDHN CC(C)C[C@@H]1CCCN1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001167298105 1081188856 /nfs/dbraw/zinc/18/88/56/1081188856.db2.gz FDCMFTXCRBJOLQ-ZDUSSCGKSA-N 0 3 364.833 4.309 20 5 FIBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000177325207 1081203240 /nfs/dbraw/zinc/20/32/40/1081203240.db2.gz CWOMROCZFATPMI-UHFFFAOYSA-N 0 3 369.446 4.432 20 5 FIBDHN Cc1ccc([C@@H](C)N[C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1[N+](=O)[O-] ZINC000536908044 1081958936 /nfs/dbraw/zinc/95/89/36/1081958936.db2.gz CVFRGOSNSNHMCO-ZIAGYGMSSA-N 0 3 353.422 4.200 20 5 FIBDHN COc1ccccc1[C@@H](CN[C@H](C)c1ccc([N+](=O)[O-])cc1)OC(C)C ZINC000471611666 1082091720 /nfs/dbraw/zinc/09/17/20/1082091720.db2.gz CPQOZELPBNXWBB-FOIQADDNSA-N 0 3 358.438 4.420 20 5 FIBDHN C[C@H](N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000177939981 1082353316 /nfs/dbraw/zinc/35/33/16/1082353316.db2.gz PEBZXJUIONWGGT-RNODOKPDSA-N 0 3 354.406 4.168 20 5 FIBDHN COCC1(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCC1 ZINC000551586697 1084682550 /nfs/dbraw/zinc/68/25/50/1084682550.db2.gz KOKPQMDBAZIULV-UHFFFAOYSA-N 0 3 350.802 4.167 20 5 FIBDHN COc1cc(C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1[O-] ZINC000478205100 1084924049 /nfs/dbraw/zinc/92/40/49/1084924049.db2.gz ZTLFCFFWSNKYPD-QGZVFWFLSA-N 0 3 372.396 4.174 20 5 FIBDHN CC[C@H](C)N[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)c1ccco1 ZINC000479611889 1085231956 /nfs/dbraw/zinc/23/19/56/1085231956.db2.gz ABPIOEWMTSDMCN-HOCLYGCPSA-N 0 3 374.441 4.056 20 5 FIBDHN Cc1cc(Cl)cc(Cl)c1CNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001167796111 1086393469 /nfs/dbraw/zinc/39/34/69/1086393469.db2.gz OBMALAQIEOGJIE-UHFFFAOYSA-N 0 3 352.221 4.425 20 5 FIBDHN CCC[C@@H](NCc1cccc(Cn2ccnc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000151336753 1087090042 /nfs/dbraw/zinc/09/00/42/1087090042.db2.gz LKMMODXSAUAPIN-OAQYLSRUSA-N 0 3 364.449 4.471 20 5 FIBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCc1ccc(OCC(F)(F)F)cc1 ZINC000584301685 1087254254 /nfs/dbraw/zinc/25/42/54/1087254254.db2.gz AQABGCBPYQIYJH-MRXNPFEDSA-N 0 3 366.339 4.313 20 5 FIBDHN Cc1cc(C)n(-c2ccc(CN[C@@H](C)c3cccc([N+](=O)[O-])c3)cc2)n1 ZINC000180418134 1087898159 /nfs/dbraw/zinc/89/81/59/1087898159.db2.gz CPAHPSJBRBUOKC-INIZCTEOSA-N 0 3 350.422 4.248 20 5 FIBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1cn2c(cccc2C)n1 ZINC000504927050 1087994829 /nfs/dbraw/zinc/99/48/29/1087994829.db2.gz MMNVGYITPWILHQ-HNNXBMFYSA-N 0 3 370.478 4.211 20 5 FIBDHN CC(C)(CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccnc1 ZINC000414556025 1088825029 /nfs/dbraw/zinc/82/50/29/1088825029.db2.gz JCADVUVYXBJSIF-UHFFFAOYSA-N 0 3 368.462 4.181 20 5 FIBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCOC[C@H](C3CCC3)C2)o1 ZINC000430121207 1088994825 /nfs/dbraw/zinc/99/48/25/1088994825.db2.gz GJCAARXODHFUIP-MRXNPFEDSA-N 0 3 356.422 4.103 20 5 FIBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@@H](CCCO)c1ccccc1)CCCC2 ZINC000417316565 1090796824 /nfs/dbraw/zinc/79/68/24/1090796824.db2.gz UKXPTRKXMUCDEE-SFTDATJTSA-N 0 3 354.450 4.466 20 5 FIBDHN O=C(CCN1CCCC[C@@H]1c1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000500070172 1091019439 /nfs/dbraw/zinc/01/94/39/1091019439.db2.gz OAUDOWWDACGLPQ-GOSISDBHSA-N 0 3 371.412 4.290 20 5 FIBDHN COc1cccc(CN(C)CCc2cccc([N+](=O)[O-])c2)c1OC(C)C ZINC000549808087 1092797065 /nfs/dbraw/zinc/79/70/65/1092797065.db2.gz JGDNULYGNQKPQV-UHFFFAOYSA-N 0 3 358.438 4.065 20 5 FIBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cnc(-c2cccs2)s1 ZINC000549806696 1092808343 /nfs/dbraw/zinc/80/83/43/1092808343.db2.gz YXIMNFCZZOYVHX-UHFFFAOYSA-N 0 3 359.476 4.454 20 5 FIBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1ccc(OC(F)F)c(F)c1 ZINC000549806643 1092808628 /nfs/dbraw/zinc/80/86/28/1092808628.db2.gz WXDRSKYBWJZJLP-UHFFFAOYSA-N 0 3 354.328 4.010 20 5 FIBDHN CN(C)Cc1cc(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)ccc1F ZINC000433118198 1093277813 /nfs/dbraw/zinc/27/78/13/1093277813.db2.gz RETGRCWXTDTVQJ-HXUWFJFHSA-N 0 3 371.456 4.308 20 5 FIBDHN C[C@H](N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)OCCO2 ZINC000433129689 1093306998 /nfs/dbraw/zinc/30/69/98/1093306998.db2.gz OQPLOLOXDONILB-UGSOOPFHSA-N 0 3 368.433 4.439 20 5 FIBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1cc(Br)cs1 ZINC000404138634 1093772152 /nfs/dbraw/zinc/77/21/52/1093772152.db2.gz FTFNPAKFZWSHRI-UHFFFAOYSA-N 0 3 355.257 4.093 20 5 FIBDHN COc1cc(CN[C@H]2CC[C@H]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000513101297 1093847944 /nfs/dbraw/zinc/84/79/44/1093847944.db2.gz QFLLZWRWYSPQII-PBHICJAKSA-N 0 3 356.422 4.071 20 5 FIBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCCC[C@H]1OC(F)F ZINC000502580705 1095610132 /nfs/dbraw/zinc/61/01/32/1095610132.db2.gz IVFYBWSHKSESAN-GDBMZVCRSA-N 0 3 358.385 4.022 20 5 FIBDHN COC1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCC1 ZINC000503918424 1096586950 /nfs/dbraw/zinc/58/69/50/1096586950.db2.gz BNVYHQXOMQMXMN-UHFFFAOYSA-N 0 3 350.802 4.167 20 5 FIBDHN CCOc1ccc([C@@H](C)N[C@@H]2CCCc3cc(N)ccc32)cc1[N+](=O)[O-] ZINC000423358968 1096656343 /nfs/dbraw/zinc/65/63/43/1096656343.db2.gz UPSCBQHOUQVKEQ-FZKQIMNGSA-N 0 3 355.438 4.304 20 5 FIBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000533046042 1098710348 /nfs/dbraw/zinc/71/03/48/1098710348.db2.gz DVIFOINVCHENPL-HXUWFJFHSA-N 0 3 371.412 4.112 20 5 FIBDHN O=[N+]([O-])c1cccc(CN2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c1 ZINC000533100556 1098761323 /nfs/dbraw/zinc/76/13/23/1098761323.db2.gz JPSAWOSONSUWIU-CQSZACIVSA-N 0 3 355.369 4.255 20 5 FIBDHN Cc1c(NC(=O)CCN(Cc2ccccc2F)C(C)C)cccc1[N+](=O)[O-] ZINC000533250471 1098912455 /nfs/dbraw/zinc/91/24/55/1098912455.db2.gz MQUACRVOJHDCGU-UHFFFAOYSA-N 0 3 373.428 4.282 20 5 FIBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459650296 1100393498 /nfs/dbraw/zinc/39/34/98/1100393498.db2.gz XLLPIRSQQQPIQC-XJKSGUPXSA-N 0 3 372.387 4.337 20 5 FIBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1ccc(C2CC2)cc1F ZINC000425952044 1100444629 /nfs/dbraw/zinc/44/46/29/1100444629.db2.gz GAPBSIGQCZODSK-CYBMUJFWSA-N 0 3 371.412 4.118 20 5 FIBDHN CC[C@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000518562231 1101305338 /nfs/dbraw/zinc/30/53/38/1101305338.db2.gz CLGBEDLSHDXYJJ-IRXDYDNUSA-N 0 3 356.422 4.340 20 5 FIBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[C@@H](C(F)(F)F)C3)o2)c1 ZINC000170905744 1102306622 /nfs/dbraw/zinc/30/66/22/1102306622.db2.gz UWYVYJMRHSFLRJ-CYBMUJFWSA-N 0 3 369.343 4.067 20 5 FIBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3CCCCO3)o2)c(Cl)c1 ZINC000237816109 1102946154 /nfs/dbraw/zinc/94/61/54/1102946154.db2.gz SHJPAXRPEKXDHT-ZDUSSCGKSA-N 0 3 350.802 4.167 20 5 FIBDHN Cc1ccccc1[C@@H](C)N(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC(C)C ZINC000551423826 1103207016 /nfs/dbraw/zinc/20/70/16/1103207016.db2.gz OZWJHMSLNMJUMX-MRXNPFEDSA-N 0 3 369.465 4.221 20 5 FIBDHN COc1cc(CN(C)[C@@H](C)C(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000507246142 1103247864 /nfs/dbraw/zinc/24/78/64/1103247864.db2.gz GXOSOIDQQMMFAI-NSHDSACASA-N 0 3 364.364 4.021 20 5 FIBDHN CCOC(=O)CC1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000507350084 1103321240 /nfs/dbraw/zinc/32/12/40/1103321240.db2.gz SQTNNMIMOSVORM-UHFFFAOYSA-N 0 3 372.421 4.020 20 5 FIBDHN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1Br)c1ccsc1 ZINC000484865695 1104838595 /nfs/dbraw/zinc/83/85/95/1104838595.db2.gz QFUGNRCZZLQASC-AWEZNQCLSA-N 0 3 370.272 4.134 20 5 FIBDHN CN(c1ccccc1)c1ccc(CNCc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000508063108 1105316191 /nfs/dbraw/zinc/31/61/91/1105316191.db2.gz JIGOHOXXEFEDMF-UHFFFAOYSA-N 0 3 363.417 4.358 20 5 FIBDHN COc1ccc(CNC[C@H](c2ccccc2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000186433754 1107034747 /nfs/dbraw/zinc/03/47/47/1107034747.db2.gz XNRNCOKHTJSDKR-CQSZACIVSA-N 0 3 354.328 4.039 20 5 FIBDHN CN(C)Cc1ccc(-c2noc(/C=C\c3ccc(F)cc3[N+](=O)[O-])n2)cc1 ZINC000530871910 1107377118 /nfs/dbraw/zinc/37/71/18/1107377118.db2.gz ONMXXTQVPIXJBU-NTMALXAHSA-N 0 3 368.368 4.016 20 5 FIBDHN CN(C)c1ccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cn1 ZINC000520207899 1108022340 /nfs/dbraw/zinc/02/23/40/1108022340.db2.gz QCLATVYBFQUKOO-UHFFFAOYSA-N 0 3 368.462 4.074 20 5 FIBDHN CCCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCc2ccccc21 ZINC000508592726 1109524406 /nfs/dbraw/zinc/52/44/06/1109524406.db2.gz BOIBBRISSDIHOB-HXUWFJFHSA-N 0 3 368.433 4.361 20 5 FIBDHN Cn1cc(-c2cccc(CN[C@H]3CCCc4ccc([N+](=O)[O-])cc43)c2)cn1 ZINC000447589774 1109588910 /nfs/dbraw/zinc/58/89/10/1109588910.db2.gz YXFRUYYHVVPPAU-NRFANRHFSA-N 0 3 362.433 4.163 20 5 FIBDHN Cc1cccc(NC(=O)C[C@@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1C ZINC000449347425 1110036185 /nfs/dbraw/zinc/03/61/85/1110036185.db2.gz GZKINBUVWQTGNQ-ZBFHGGJFSA-N 0 3 355.438 4.280 20 5 FIBDHN CCc1ccccc1NC(=O)C[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000449348634 1110036975 /nfs/dbraw/zinc/03/69/75/1110036975.db2.gz MLNSMGLAHULFQW-CABCVRRESA-N 0 3 355.438 4.225 20 5 FIBDHN Cc1cc([C@H](N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C2CC2)ccc1F ZINC000538321070 1111089969 /nfs/dbraw/zinc/08/99/69/1111089969.db2.gz XWRWPSOPSVOHSB-BFUOFWGJSA-N 0 3 371.412 4.110 20 5 FIBDHN CC(=O)c1cc(N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000553487230 1111987556 /nfs/dbraw/zinc/98/75/56/1111987556.db2.gz OWWMOURIQCTZPW-FOIQADDNSA-N 0 3 367.449 4.120 20 5 FIBDHN CC(=O)c1cc(N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000553487232 1111987781 /nfs/dbraw/zinc/98/77/81/1111987781.db2.gz OWWMOURIQCTZPW-QRWLVFNGSA-N 0 3 367.449 4.120 20 5 FIBDHN O=[N+]([O-])c1ccccc1/C=C\CNCc1ccc(OC(F)F)c(F)c1 ZINC000555619338 1112950716 /nfs/dbraw/zinc/95/07/16/1112950716.db2.gz IWKKMPAPHGLYSW-HYXAFXHYSA-N 0 3 352.312 4.138 20 5 FIBDHN O=[N+]([O-])c1ccc(OC2CCN([C@@H]3CCc4ccc(F)cc43)CC2)cc1 ZINC000483056080 1113433314 /nfs/dbraw/zinc/43/33/14/1113433314.db2.gz JGHAXBDGVANFCY-HXUWFJFHSA-N 0 3 356.397 4.265 20 5 FIBDHN CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])[n-]1 ZINC000488465579 1113937413 /nfs/dbraw/zinc/93/74/13/1113937413.db2.gz OQCXOGPXHMWQOL-QBYUYEEZSA-N 0 3 371.485 4.288 20 5 FIBDHN CC(C)Sc1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000489006265 1114034266 /nfs/dbraw/zinc/03/42/66/1114034266.db2.gz FIORAAJHZAXKOK-UHFFFAOYSA-N 0 3 360.483 4.129 20 5 FIBDHN O=[N+]([O-])c1ccc(CN2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c(Cl)c1 ZINC000590659563 1114960608 /nfs/dbraw/zinc/96/06/08/1114960608.db2.gz YADRDNXOJCLIOH-WBVHZDCISA-N 0 3 350.846 4.029 20 5 FIBDHN CC[C@@H](NCC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1cc(C)ccc1C ZINC000599640610 1115833358 /nfs/dbraw/zinc/83/33/58/1115833358.db2.gz KYXQXRWRWYIFFX-QGZVFWFLSA-N 0 3 355.438 4.199 20 5 FIBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCc1ccc(C(F)(F)F)cc1 ZINC000608781859 1116128408 /nfs/dbraw/zinc/12/84/08/1116128408.db2.gz PRQIUCGXEFUIOL-UHFFFAOYSA-N 0 3 368.355 4.345 20 5 FIBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC1(c2cccc(Cl)c2)CC1 ZINC000539654552 1116359020 /nfs/dbraw/zinc/35/90/20/1116359020.db2.gz IESHRJRILIYBIW-ZDUSSCGKSA-N 0 3 373.840 4.244 20 5 FIBDHN CN(C)[C@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1cccc(F)c1 ZINC000462916826 1117859526 /nfs/dbraw/zinc/85/95/26/1117859526.db2.gz KDKQZQBCPZUOKR-OAHLLOKOSA-N 0 3 369.343 4.050 20 5 FIBDHN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000540119904 1117883399 /nfs/dbraw/zinc/88/33/99/1117883399.db2.gz TZKZPNSQSYNGFA-STQMWFEESA-N 0 3 353.422 4.236 20 5 FIBDHN CC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(C)cc1 ZINC000540362169 1118014543 /nfs/dbraw/zinc/01/45/43/1118014543.db2.gz INAGCQSWEWXSJK-MRXNPFEDSA-N 0 3 361.829 4.236 20 5 FIBDHN C[C@@H]1C[C@H]1[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000540522495 1118106565 /nfs/dbraw/zinc/10/65/65/1118106565.db2.gz SXUQKVJBFSSEMJ-KPAZRMRSSA-N 0 3 373.840 4.174 20 5 FIBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000541566265 1118557149 /nfs/dbraw/zinc/55/71/49/1118557149.db2.gz JITJHYFZAPSJEH-QWHCGFSZSA-N 0 3 371.462 4.495 20 5 FIBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000541566263 1118557241 /nfs/dbraw/zinc/55/72/41/1118557241.db2.gz JITJHYFZAPSJEH-OLZOCXBDSA-N 0 3 371.462 4.495 20 5 FIBDHN CC(C)C[C@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000541625686 1118587508 /nfs/dbraw/zinc/58/75/08/1118587508.db2.gz IIKYCCKIBLURML-CJNGLKHVSA-N 0 3 361.467 4.360 20 5 FIBDHN Cc1ccc(CCN(Cc2cccc([N+](=O)[O-])c2)C[C@H]2CCCO2)cc1 ZINC000464776363 1118690673 /nfs/dbraw/zinc/69/06/73/1118690673.db2.gz NIECJKSDNRYFJM-OAQYLSRUSA-N 0 3 354.450 4.127 20 5 FIBDHN CCOc1cc(CN2CCC(c3ccc(O)cc3)CC2)ccc1[N+](=O)[O-] ZINC000492459741 1119101753 /nfs/dbraw/zinc/10/17/53/1119101753.db2.gz HCVJBUAQODHDDN-UHFFFAOYSA-N 0 3 356.422 4.079 20 5 FIBDHN CCOc1cc(CN[C@@H](c2ccc(OC)cc2)C2CC2)ccc1[N+](=O)[O-] ZINC000492580529 1119136022 /nfs/dbraw/zinc/13/60/22/1119136022.db2.gz DYZLPTCWKHERPP-HXUWFJFHSA-N 0 3 356.422 4.243 20 5 FIBDHN CCOc1cc(CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000492748963 1119177959 /nfs/dbraw/zinc/17/79/59/1119177959.db2.gz NGAZDXZJSPMIFD-HKUYNNGSSA-N 0 3 370.449 4.251 20 5 FIBDHN COc1cc(CN[C@@H](C)c2cccc(N3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000492756592 1119184710 /nfs/dbraw/zinc/18/47/10/1119184710.db2.gz JZOLHLUOSYLVOS-HNNXBMFYSA-N 0 3 355.438 4.054 20 5 FIBDHN CCOc1cc(CN(CC)Cc2c[nH]c3ccccc23)ccc1[N+](=O)[O-] ZINC000493677944 1119489695 /nfs/dbraw/zinc/48/96/95/1119489695.db2.gz KWGHKVMRXMFVGH-UHFFFAOYSA-N 0 3 353.422 4.497 20 5 FIBDHN CC(C)[C@H](O)C1(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000494968822 1120407741 /nfs/dbraw/zinc/40/77/41/1120407741.db2.gz LGLHXQWBGDKJJB-PMACEKPBSA-N 0 3 354.450 4.071 20 5 FIBDHN O=[N+]([O-])c1cccc([C@@H](NCCc2cnc(C3CC3)nc2)c2ccccc2)c1 ZINC000494987267 1120412023 /nfs/dbraw/zinc/41/20/23/1120412023.db2.gz IRRHDKHZGRYBKU-NRFANRHFSA-N 0 3 374.444 4.184 20 5 FIBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000193465856 1120916956 /nfs/dbraw/zinc/91/69/56/1120916956.db2.gz BNAUBRAYAXHQTI-UHFFFAOYSA-N 0 3 353.422 4.060 20 5 FIBDHN O=[N+]([O-])c1cccc(OCCN2CC=C(c3c[nH]c4ccccc43)CC2)c1 ZINC000917094633 1122123144 /nfs/dbraw/zinc/12/31/44/1122123144.db2.gz ZWIPNYBMFJXNRY-UHFFFAOYSA-N 0 3 363.417 4.244 20 5 FIBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCOc3ccc(F)c(F)c3)o2)cc1 ZINC000609288296 1122830605 /nfs/dbraw/zinc/83/06/05/1122830605.db2.gz PPVTUVRQTCTEPN-UHFFFAOYSA-N 0 3 374.343 4.302 20 5 FIBDHN CCC[C@@]1(COC)CCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000194931163 1123018269 /nfs/dbraw/zinc/01/82/69/1123018269.db2.gz RHDJLHZBYJCIRO-IBGZPJMESA-N 0 3 359.426 4.031 20 5 FIBDHN CC(C)c1ccc(CN2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1[N+](=O)[O-] ZINC000557027668 1123321927 /nfs/dbraw/zinc/32/19/27/1123321927.db2.gz SPWUHAMQOWDMGD-INIZCTEOSA-N 0 3 369.469 4.093 20 5 FIBDHN COc1ccc(CN[C@H](c2cccnc2)C2CCCCC2)cc1[N+](=O)[O-] ZINC000609586662 1123759804 /nfs/dbraw/zinc/75/98/04/1123759804.db2.gz XCHWJAOAQYKGAZ-FQEVSTJZSA-N 0 3 355.438 4.410 20 5 FIBDHN Cn1cc(CNCc2ccc3ccccc3c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237779112 1124072544 /nfs/dbraw/zinc/07/25/44/1124072544.db2.gz DBAZZEYBMRUCRR-UHFFFAOYSA-N 0 3 372.428 4.438 20 5 FIBDHN Cc1ccc(CNC2(c3ccc4c(c3)OCCO4)CCCC2)cc1[N+](=O)[O-] ZINC000237877993 1124152133 /nfs/dbraw/zinc/15/21/33/1124152133.db2.gz SHRKUPLVLOAKCQ-UHFFFAOYSA-N 0 3 368.433 4.234 20 5 FIBDHN Cc1c([C@H](C)N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000182160267 1125271236 /nfs/dbraw/zinc/27/12/36/1125271236.db2.gz WXWIKYDFAOQLDM-OEPMTFCVSA-N 0 3 362.376 4.362 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1cn(C)nc1-c1ccccc1 ZINC000542997104 1125278570 /nfs/dbraw/zinc/27/85/70/1125278570.db2.gz MMYBHQQJTIAHFO-HNNXBMFYSA-N 0 3 350.422 4.155 20 5 FIBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[C@H](c2ccccc2)C[C@H]1OC ZINC000568543349 568048822 /nfs/dbraw/zinc/04/88/22/568048822.db2.gz QULULNCYXKVHPB-LDQXTDLNSA-N 0 3 370.449 4.044 20 5 FIBDHN COCC1(NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCC1 ZINC000570640249 568492872 /nfs/dbraw/zinc/49/28/72/568492872.db2.gz BHRNUXOPKXNVMN-UHFFFAOYSA-N 0 3 360.385 4.185 20 5 FIBDHN CCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC1CCCCC1 ZINC001167147704 1080730693 /nfs/dbraw/zinc/73/06/93/1080730693.db2.gz ZSKQUCXUPQKXDH-UHFFFAOYSA-N 0 3 367.877 4.479 20 5 FIBDHN CC(C)C[C@H]1CCCN1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001167298104 1081188888 /nfs/dbraw/zinc/18/88/88/1081188888.db2.gz FDCMFTXCRBJOLQ-CYBMUJFWSA-N 0 3 364.833 4.309 20 5 FIBDHN C[C@H]1[C@H](c2ccccc2)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000177529349 1081227033 /nfs/dbraw/zinc/22/70/33/1081227033.db2.gz LHXMTJKMHJIUJJ-KBXCAEBGSA-N 0 3 364.405 4.023 20 5 FIBDHN C[C@H]1[C@@H](c2ccccc2)CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000177533156 1081227299 /nfs/dbraw/zinc/22/72/99/1081227299.db2.gz IBJIODAFLRSHSQ-KSSFIOAISA-N 0 3 364.405 4.023 20 5 FIBDHN COc1ccc(CN[C@@H](C)COc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC001648898439 1081354696 /nfs/dbraw/zinc/35/46/96/1081354696.db2.gz OLIONKXKDLIPTB-HNNXBMFYSA-N 0 3 372.465 4.458 20 5 FIBDHN C[C@@H](c1cccs1)N(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000157798585 1082333155 /nfs/dbraw/zinc/33/31/55/1082333155.db2.gz WDKOYGDQVPIMJF-ZDUSSCGKSA-N 0 3 356.451 4.250 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000156842280 1082344465 /nfs/dbraw/zinc/34/44/65/1082344465.db2.gz CPUIZVIYVRGZNG-CVEARBPZSA-N 0 3 367.449 4.442 20 5 FIBDHN Cc1c([C@@H](C)N[C@@H](C)c2ccc(N3CCCC3=O)cc2)cccc1[N+](=O)[O-] ZINC000156843001 1082345650 /nfs/dbraw/zinc/34/56/50/1082345650.db2.gz AJIYJWXGLNZXPY-JKSUJKDBSA-N 0 3 367.449 4.442 20 5 FIBDHN Cc1c([C@H](C)N[C@@H](C)c2ccc(N3CCCC3=O)cc2)cccc1[N+](=O)[O-] ZINC000156843126 1082345935 /nfs/dbraw/zinc/34/59/35/1082345935.db2.gz AJIYJWXGLNZXPY-HOTGVXAUSA-N 0 3 367.449 4.442 20 5 FIBDHN C[C@H](NCCc1ccccc1[N+](=O)[O-])c1nc2ccc(Cl)cc2n1C ZINC000548394928 1083224675 /nfs/dbraw/zinc/22/46/75/1083224675.db2.gz KVJZCOPKMBLBBS-LBPRGKRZSA-N 0 3 358.829 4.028 20 5 FIBDHN C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCCO1 ZINC000179393614 1083445247 /nfs/dbraw/zinc/44/52/47/1083445247.db2.gz KTGRPWQCXSXZLB-GFCCVEGCSA-N 0 3 350.802 4.119 20 5 FIBDHN CCOc1ccccc1[C@H](CC)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000179755390 1083617040 /nfs/dbraw/zinc/61/70/40/1083617040.db2.gz SCSCNJKFLLRXOG-INIZCTEOSA-N 0 3 371.437 4.063 20 5 FIBDHN C[C@H](N[C@H](CN1CCCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000610809706 1083719293 /nfs/dbraw/zinc/71/92/93/1083719293.db2.gz PVVYUSJOUKHGOU-LAUBAEHRSA-N 0 3 353.466 4.473 20 5 FIBDHN Cc1ccc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(-c2cnn(C)c2)c1 ZINC000548982564 1084316195 /nfs/dbraw/zinc/31/61/95/1084316195.db2.gz ZXJSZYFKYOSNPI-MRXNPFEDSA-N 0 3 364.449 4.463 20 5 FIBDHN CCC[C@H](NCc1ccc(-n2ccnc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000177806512 1084347918 /nfs/dbraw/zinc/34/79/18/1084347918.db2.gz DWCBYFUPJRSPQA-FQEVSTJZSA-N 0 3 350.422 4.412 20 5 FIBDHN COc1ccc([C@@H](CN(C)C)NCc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 ZINC000551226113 1084578169 /nfs/dbraw/zinc/57/81/69/1084578169.db2.gz DXIYZBWFRWELQZ-HXUWFJFHSA-N 0 3 371.481 4.119 20 5 FIBDHN Cn1cc(CN2CCC=C(c3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000551586662 1084678660 /nfs/dbraw/zinc/67/86/60/1084678660.db2.gz QBCLWBTXQZJENQ-UHFFFAOYSA-N 0 3 374.444 4.285 20 5 FIBDHN CCN(Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@@H]1CCOC(C)(C)C1 ZINC000582270208 1084823612 /nfs/dbraw/zinc/82/36/12/1084823612.db2.gz NVHLOXBHDKAEAM-QGZVFWFLSA-N 0 3 350.459 4.162 20 5 FIBDHN Cc1c(CN[C@H](C)c2ccc(NC(=O)NC(C)C)cc2)cccc1[N+](=O)[O-] ZINC000478508994 1084956780 /nfs/dbraw/zinc/95/67/80/1084956780.db2.gz XPCHDGCAKPTDBT-OAHLLOKOSA-N 0 3 370.453 4.284 20 5 FIBDHN O=[N+]([O-])c1cccc([C@@H](NCC2(CO)CCCCC2)c2ccccc2)c1 ZINC000611521069 1085455612 /nfs/dbraw/zinc/45/56/12/1085455612.db2.gz MPDBHQQHASEDIL-FQEVSTJZSA-N 0 3 354.450 4.217 20 5 FIBDHN CCCC(=O)Nc1ccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000583641643 1086883428 /nfs/dbraw/zinc/88/34/28/1086883428.db2.gz WUQDPZRHILUVON-SFHVURJKSA-N 0 3 353.422 4.111 20 5 FIBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000190020400 1088756287 /nfs/dbraw/zinc/75/62/87/1088756287.db2.gz SQAVJTUFIUZBKN-UHFFFAOYSA-N 0 3 355.438 4.341 20 5 FIBDHN COCC1CCC(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000414515728 1088808688 /nfs/dbraw/zinc/80/86/88/1088808688.db2.gz VEKUVCGABNGHDH-UHFFFAOYSA-N 0 3 361.467 4.013 20 5 FIBDHN C[C@H](N[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)c1ccc([S@](C)=O)cc1 ZINC000417308609 1090800782 /nfs/dbraw/zinc/80/07/82/1090800782.db2.gz HTJAPJARMAYCLD-YMAGALGMSA-N 0 3 372.490 4.451 20 5 FIBDHN C[C@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000584480242 1090967331 /nfs/dbraw/zinc/96/73/31/1090967331.db2.gz VCKMCCPYQGOSGT-ORAYPTAESA-N 0 3 365.433 4.281 20 5 FIBDHN C[C@@H](CN(C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)c1ccccc1 ZINC000728900140 1091815184 /nfs/dbraw/zinc/81/51/84/1091815184.db2.gz FPPGFAHZUZMPLD-INIZCTEOSA-N 0 3 350.422 4.151 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)CCc1nc(-c2ccccc2)no1 ZINC000512214156 1091919101 /nfs/dbraw/zinc/91/91/01/1091919101.db2.gz UWVCQKLRDMZPRG-OAHLLOKOSA-N 0 3 366.421 4.189 20 5 FIBDHN CN(C)[C@H]1CCOc2c(Nc3ccc4ncccc4c3[N+](=O)[O-])cccc21 ZINC000432921541 1092956046 /nfs/dbraw/zinc/95/60/46/1092956046.db2.gz DBYCQNIAUMRFDV-SFHVURJKSA-N 0 3 364.405 4.272 20 5 FIBDHN COc1cc(CN(C)C/C=C\c2ccccc2[N+](=O)[O-])ccc1SC ZINC000512706029 1093176378 /nfs/dbraw/zinc/17/63/78/1093176378.db2.gz UGNRKXCMPHVAMX-VURMDHGXSA-N 0 3 358.463 4.471 20 5 FIBDHN C[C@H](N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)OCO2 ZINC000433173450 1093372417 /nfs/dbraw/zinc/37/24/17/1093372417.db2.gz KEIKCDOLSRLFPG-YVEFUNNKSA-N 0 3 354.406 4.397 20 5 FIBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNCc2cnn3ccccc23)s1 ZINC000512890687 1093512399 /nfs/dbraw/zinc/51/23/99/1093512399.db2.gz LNFCWCDYSDSNER-UHFFFAOYSA-N 0 3 364.430 4.261 20 5 FIBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](NC1CCCC1)c1ccccc1 ZINC000006052208 1093586387 /nfs/dbraw/zinc/58/63/87/1093586387.db2.gz QQTZSXVLGPMWMU-GOSISDBHSA-N 0 3 373.840 4.460 20 5 FIBDHN C[C@@H](N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000237300730 1093607137 /nfs/dbraw/zinc/60/71/37/1093607137.db2.gz FYGZNXAXERHTDP-QWHCGFSZSA-N 0 3 361.829 4.316 20 5 FIBDHN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000513507438 1094168791 /nfs/dbraw/zinc/16/87/91/1094168791.db2.gz ULDFIWMOTBZTDR-RGFKIIKPSA-N 0 3 352.862 4.010 20 5 FIBDHN COc1ccc([C@@H](Cc2ccncc2)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000513679386 1094269387 /nfs/dbraw/zinc/26/93/87/1094269387.db2.gz WQLDKYBVXCDMHD-OAQYLSRUSA-N 0 3 363.417 4.072 20 5 FIBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000413568590 1095339188 /nfs/dbraw/zinc/33/91/88/1095339188.db2.gz DCIUHPLZVGSXMB-UHFFFAOYSA-N 0 3 371.437 4.004 20 5 FIBDHN Cc1c(NC(=O)[C@H](C)N[C@@H](c2ccc(F)cc2)C(C)C)cccc1[N+](=O)[O-] ZINC000502487080 1095498942 /nfs/dbraw/zinc/49/89/42/1095498942.db2.gz SWBFBDJLIDHUJT-IFXJQAMLSA-N 0 3 373.428 4.356 20 5 FIBDHN COCC[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(C)(C)C ZINC000509963740 1096331507 /nfs/dbraw/zinc/33/15/07/1096331507.db2.gz LUTGIYQLRSCDOL-MRXNPFEDSA-N 0 3 363.483 4.259 20 5 FIBDHN CCOC(=O)[C@@H]1CC[C@H](N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000436304363 1098916860 /nfs/dbraw/zinc/91/68/60/1098916860.db2.gz DNUASKMIHBVKIS-WSTZPKSXSA-N 0 3 368.433 4.006 20 5 FIBDHN O=C(CN[C@@H](c1ccccc1)C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000533386800 1099015672 /nfs/dbraw/zinc/01/56/72/1099015672.db2.gz XMRXEAQVBSKUPP-FQEVSTJZSA-N 0 3 353.422 4.054 20 5 FIBDHN Cc1ccc([C@H](C)N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1[N+](=O)[O-] ZINC000536908022 1101333087 /nfs/dbraw/zinc/33/30/87/1101333087.db2.gz CVFRGOSNSNHMCO-KBPBESRZSA-N 0 3 353.422 4.200 20 5 FIBDHN COc1cc(C[NH2+]CC2(c3ccc(F)cc3)CCCC2)c([N+](=O)[O-])cc1[O-] ZINC000509599772 1101551210 /nfs/dbraw/zinc/55/12/10/1101551210.db2.gz HAANDSZVWXPZIE-UHFFFAOYSA-N 0 3 374.412 4.050 20 5 FIBDHN CC(C)[C@@H](O)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000537299424 1101622847 /nfs/dbraw/zinc/62/28/47/1101622847.db2.gz ZRAHEBKEUNTCPK-INIZCTEOSA-N 0 3 352.818 4.005 20 5 FIBDHN CO[C@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(C)C ZINC000537313021 1101642210 /nfs/dbraw/zinc/64/22/10/1101642210.db2.gz VHFPTCDBSXMYGB-QGZVFWFLSA-N 0 3 352.818 4.269 20 5 FIBDHN CCN1CCN(c2ccccc2N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000537443253 1101795655 /nfs/dbraw/zinc/79/56/55/1101795655.db2.gz YGGJTWMHKBYRBC-KRWDZBQOSA-N 0 3 368.481 4.218 20 5 FIBDHN Cc1c(NC(=O)CCN[C@@H](C)c2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000026227484 1101945891 /nfs/dbraw/zinc/94/58/91/1101945891.db2.gz KZUVNVFOQYHXKZ-ZDUSSCGKSA-N 0 3 361.829 4.236 20 5 FIBDHN O=[N+]([O-])c1cccc(-c2nc(CNCCCc3ccccc3)cs2)c1 ZINC000237995957 1102699952 /nfs/dbraw/zinc/69/99/52/1102699952.db2.gz ZGEZVEPCNDFKCT-UHFFFAOYSA-N 0 3 353.447 4.441 20 5 FIBDHN Cc1ccccc1C(C)(C)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000550263771 1102873372 /nfs/dbraw/zinc/87/33/72/1102873372.db2.gz SRAIFMOMUDCUPG-UHFFFAOYSA-N 0 3 361.829 4.020 20 5 FIBDHN Cn1nccc1-c1ccccc1CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000507241635 1103235707 /nfs/dbraw/zinc/23/57/07/1103235707.db2.gz BEKDXFIDNYRULW-UHFFFAOYSA-N 0 3 362.433 4.160 20 5 FIBDHN CCCC[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000538201108 1104034808 /nfs/dbraw/zinc/03/48/08/1104034808.db2.gz GXHPJHBSTPKDGG-KRWDZBQOSA-N 0 3 371.437 4.063 20 5 FIBDHN CC1(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)Cc2ccccc2C1 ZINC000507733266 1104060060 /nfs/dbraw/zinc/06/00/60/1104060060.db2.gz QNVRBBAZEMBGFO-UHFFFAOYSA-N 0 3 365.458 4.365 20 5 FIBDHN CN(C)C[C@@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000579251587 1104331713 /nfs/dbraw/zinc/33/17/13/1104331713.db2.gz BRFHVIJNDITIEL-QZTJIDSGSA-N 0 3 359.857 4.128 20 5 FIBDHN C[C@@H](N[C@@H](C)c1cccc(C2CC2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451113892 1106927771 /nfs/dbraw/zinc/92/77/71/1106927771.db2.gz LFIUKTRETVONJA-UONOGXRCSA-N 0 3 353.422 4.150 20 5 FIBDHN Cc1ccc(CN[C@@H](c2ccccc2)C2(CO)CCCC2)cc1[N+](=O)[O-] ZINC000453597672 1108631659 /nfs/dbraw/zinc/63/16/59/1108631659.db2.gz DJEAXVDOJNWBMS-FQEVSTJZSA-N 0 3 354.450 4.287 20 5 FIBDHN Cc1cccc(NC(=O)C[C@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1C ZINC000449347424 1110036422 /nfs/dbraw/zinc/03/64/22/1110036422.db2.gz GZKINBUVWQTGNQ-HOCLYGCPSA-N 0 3 355.438 4.280 20 5 FIBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H](C)c1nccn1-c1ccccc1 ZINC000449334348 1110039968 /nfs/dbraw/zinc/03/99/68/1110039968.db2.gz XALLESCAYXGMJI-HZPDHXFCSA-N 0 3 350.422 4.062 20 5 FIBDHN O=C(CCCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000450460312 1110298791 /nfs/dbraw/zinc/29/87/91/1110298791.db2.gz NHWMUCIIGBKJLH-UHFFFAOYSA-N 0 3 368.433 4.101 20 5 FIBDHN Cc1cc([C@H](N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C2CC2)ccc1F ZINC000538323548 1111091370 /nfs/dbraw/zinc/09/13/70/1111091370.db2.gz PTPNVMZVGNURSJ-ORAYPTAESA-N 0 3 371.412 4.110 20 5 FIBDHN C[C@@H](O)C[C@H]1CCCN1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000538727236 1111264815 /nfs/dbraw/zinc/26/48/15/1111264815.db2.gz BOIOMEAJFAEFDL-RHSMWYFYSA-N 0 3 374.412 4.262 20 5 FIBDHN COc1ccc(OCCN[C@@H](C)c2ccccc2OC(C)C)c([N+](=O)[O-])c1 ZINC000539224555 1111482756 /nfs/dbraw/zinc/48/27/56/1111482756.db2.gz AZPWBLMYFFQGMU-HNNXBMFYSA-N 0 3 374.437 4.120 20 5 FIBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](CC1CCC1)c1ccccc1 ZINC000481289402 1112852677 /nfs/dbraw/zinc/85/26/77/1112852677.db2.gz UOFSORDYTXDFQB-FQEVSTJZSA-N 0 3 367.449 4.363 20 5 FIBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](CC1CCC1)c1ccccc1 ZINC000481289403 1112853257 /nfs/dbraw/zinc/85/32/57/1112853257.db2.gz UOFSORDYTXDFQB-HXUWFJFHSA-N 0 3 367.449 4.363 20 5 FIBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](C(C)(C)C)C1 ZINC000483240517 1113469765 /nfs/dbraw/zinc/46/97/65/1113469765.db2.gz RIZCLZXBVFSEOJ-ZFWWWQNUSA-N 0 3 358.442 4.464 20 5 FIBDHN CC(C)[C@@H]1CCCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000246651133 1113899376 /nfs/dbraw/zinc/89/93/76/1113899376.db2.gz BWNCHOFQZCSZEZ-HUUCEWRRSA-N 0 3 358.442 4.464 20 5 FIBDHN Cc1ccc([C@@H]2C[C@H](C)N(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)cc1 ZINC000490083925 1114216278 /nfs/dbraw/zinc/21/62/78/1114216278.db2.gz VECSPTUTRZSQDP-DOTOQJQBSA-N 0 3 368.433 4.148 20 5 FIBDHN Cc1ccc([C@H](C)NCc2ccc(N3CCCCC3=O)cc2)cc1[N+](=O)[O-] ZINC000151044592 1114281179 /nfs/dbraw/zinc/28/11/79/1114281179.db2.gz VQLNAFITOSLSMT-INIZCTEOSA-N 0 3 367.449 4.271 20 5 FIBDHN O=[N+]([O-])c1cccc([C@@H](NC[C@@H](O)C2CCCCC2)c2ccccc2)c1 ZINC000491013227 1114365580 /nfs/dbraw/zinc/36/55/80/1114365580.db2.gz ZBNCQKGYYQBTHV-RTWAWAEBSA-N 0 3 354.450 4.215 20 5 FIBDHN CC[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H](O)C(F)(F)F ZINC000498373314 1114850591 /nfs/dbraw/zinc/85/05/91/1114850591.db2.gz NCMKSQLAIOTBGK-DOMZBBRYSA-N 0 3 374.384 4.115 20 5 FIBDHN Cc1ccccc1CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130379 1115204901 /nfs/dbraw/zinc/20/49/01/1115204901.db2.gz GFDJSGWAADNLOJ-MXVIHJGJSA-N 0 3 354.450 4.209 20 5 FIBDHN C[C@@]1(CCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1(F)F ZINC000594978641 1115500462 /nfs/dbraw/zinc/50/04/62/1115500462.db2.gz ULUVNHHUMRCBGQ-OAHLLOKOSA-N 0 3 353.394 4.243 20 5 FIBDHN CC(C)n1cc(C2=CCCN([C@H](C)c3ccccc3[N+](=O)[O-])CC2)nn1 ZINC000595518305 1115540050 /nfs/dbraw/zinc/54/00/50/1115540050.db2.gz UYIPFKPKEIAVMQ-OAHLLOKOSA-N 0 3 355.442 4.008 20 5 FIBDHN CC(C)n1cc(C2=CCCN([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)nn1 ZINC000595518304 1115540206 /nfs/dbraw/zinc/54/02/06/1115540206.db2.gz UYIPFKPKEIAVMQ-HNNXBMFYSA-N 0 3 355.442 4.008 20 5 FIBDHN CC[C@@H](c1ccccc1)N(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000595857598 1115564554 /nfs/dbraw/zinc/56/45/54/1115564554.db2.gz OUROTSOXJANODB-SFHVURJKSA-N 0 3 355.438 4.055 20 5 FIBDHN CC(C)N(Cc1ccc(O[C@@H]2CCOC2)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000596980195 1115631233 /nfs/dbraw/zinc/63/12/33/1115631233.db2.gz VOARRJMKYOTLBB-OAQYLSRUSA-N 0 3 370.449 4.173 20 5 FIBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000597669092 1115679352 /nfs/dbraw/zinc/67/93/52/1115679352.db2.gz PVSWKTPNHRATQT-UHFFFAOYSA-N 0 3 367.449 4.450 20 5 FIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CO[C@H](C4CC4)C3)o2)c(Cl)c1 ZINC000599008187 1115776383 /nfs/dbraw/zinc/77/63/83/1115776383.db2.gz VOKFCENJWBBZIA-XIKOKIGWSA-N 0 3 362.813 4.165 20 5 FIBDHN COc1ccc([C@@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C2CC2)cn1 ZINC000599095971 1115789128 /nfs/dbraw/zinc/78/91/28/1115789128.db2.gz JPXGRRRNXVAOEN-ICSRJNTNSA-N 0 3 353.422 4.117 20 5 FIBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@H]3CC3CCCC3)o2)cc1 ZINC000594052352 1115979589 /nfs/dbraw/zinc/97/95/89/1115979589.db2.gz FBZMMIHLLUYOCJ-KRWDZBQOSA-N 0 3 356.426 4.190 20 5 FIBDHN C[C@H](NC[C@@H](O)c1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000173406720 1116061464 /nfs/dbraw/zinc/06/14/64/1116061464.db2.gz MUJUDAASPODABY-MGPLVRAMSA-N 0 3 355.221 4.286 20 5 FIBDHN CC[C@H]1c2ccsc2CCN1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000063499028 1116075143 /nfs/dbraw/zinc/07/51/43/1116075143.db2.gz CZVVPPPXNKZYHK-INIZCTEOSA-N 0 3 373.478 4.303 20 5 FIBDHN CCOCc1ccccc1CN[C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000152720147 1116281685 /nfs/dbraw/zinc/28/16/85/1116281685.db2.gz OIQGTXULWTUTDN-HNNXBMFYSA-N 0 3 358.438 4.381 20 5 FIBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCNc3ccccn3)o2)c(Cl)c1 ZINC000539709866 1116368862 /nfs/dbraw/zinc/36/88/62/1116368862.db2.gz ZXTHIXPYZZQLLO-UHFFFAOYSA-N 0 3 372.812 4.105 20 5 FIBDHN O=[N+]([O-])c1ccc(CNCCc2nc(-c3ccncc3)cs2)c(Cl)c1 ZINC000541540781 1118547786 /nfs/dbraw/zinc/54/77/86/1118547786.db2.gz QBRXWSHBYWVYKN-UHFFFAOYSA-N 0 3 374.853 4.099 20 5 FIBDHN CC(C)C[C@@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000541625687 1118587659 /nfs/dbraw/zinc/58/76/59/1118587659.db2.gz IIKYCCKIBLURML-CZUORRHYSA-N 0 3 361.467 4.360 20 5 FIBDHN COc1ccc(-c2ccc(CNC[C@@H](OC)C(C)(C)C)o2)c([N+](=O)[O-])c1 ZINC000465010996 1118789524 /nfs/dbraw/zinc/78/95/24/1118789524.db2.gz KOGFQKOTHHXTOH-GOSISDBHSA-N 0 3 362.426 4.014 20 5 FIBDHN O=[N+]([O-])c1ccc(CN(CCCO)[C@H]2CCc3ccccc32)cc1Cl ZINC000761510140 1119404641 /nfs/dbraw/zinc/40/46/41/1119404641.db2.gz DOZBZNVQCSOWPC-SFHVURJKSA-N 0 3 360.841 4.120 20 5 FIBDHN CO[C@H](CNCc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1Cl ZINC000761528199 1119409628 /nfs/dbraw/zinc/40/96/28/1119409628.db2.gz OGCJTHWBSMJCFA-MRXNPFEDSA-N 0 3 355.221 4.379 20 5 FIBDHN COc1cc(CN2CCC[C@H]2C(C)(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000609195453 1119842131 /nfs/dbraw/zinc/84/21/31/1119842131.db2.gz YLOIDUDRSQRXAU-HNNXBMFYSA-N 0 3 358.385 4.215 20 5 FIBDHN O=[N+]([O-])c1cccc(CN(Cc2cccc([N+](=O)[O-])c2)C2CCCC2)c1 ZINC000914866033 1120603098 /nfs/dbraw/zinc/60/30/98/1120603098.db2.gz DRNXFDCPILZJNP-UHFFFAOYSA-N 0 3 355.394 4.448 20 5 FIBDHN Cc1cc(Br)cc2c1[C@@H](NCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000491813590 1120955252 /nfs/dbraw/zinc/95/52/52/1120955252.db2.gz LWVHUUATWBZJIW-INIZCTEOSA-N 0 3 361.239 4.443 20 5 FIBDHN CN(C)[C@H](CNc1ncc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC000301453258 1122030636 /nfs/dbraw/zinc/03/06/36/1122030636.db2.gz AYFICOWJARLBLH-CQSZACIVSA-N 0 3 355.225 4.011 20 5 FIBDHN CCC1CCC(N(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C2CC2)CC1 ZINC000917440619 1122306521 /nfs/dbraw/zinc/30/65/21/1122306521.db2.gz XDRLYTXOABCYEM-UHFFFAOYSA-N 0 3 369.469 4.244 20 5 FIBDHN CC[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@H](O)C(F)(F)F ZINC000498380728 1122761297 /nfs/dbraw/zinc/76/12/97/1122761297.db2.gz NDGPOPCWGKYLFK-ZFWWWQNUSA-N 0 3 374.384 4.115 20 5 FIBDHN CCN(Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)[C@@H](C)CO ZINC000556946940 1123266703 /nfs/dbraw/zinc/26/67/03/1123266703.db2.gz TUUIGGUUSJGSAJ-ZDUSSCGKSA-N 0 3 364.829 4.243 20 5 FIBDHN O=[N+]([O-])c1cccc(Br)c1CNCC[C@@H]1CC1(Cl)Cl ZINC001203221688 1124449846 /nfs/dbraw/zinc/44/98/46/1124449846.db2.gz GLMGDNNDQNGRIO-MRVPVSSYSA-N 0 3 368.058 4.031 20 5 FIBDHN CC[C@@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(Cl)c1 ZINC001168676905 1124758531 /nfs/dbraw/zinc/75/85/31/1124758531.db2.gz MDVOUPQSDMXJTL-QZTJIDSGSA-N 0 3 373.840 4.094 20 5 FIBDHN COc1ccc(CCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000113311143 1125145735 /nfs/dbraw/zinc/14/57/35/1125145735.db2.gz APYFVEGTBUEVFY-UHFFFAOYSA-N 0 3 369.446 4.059 20 5 FIBDHN Cc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000182344874 1125426228 /nfs/dbraw/zinc/42/62/28/1125426228.db2.gz JFTPHBFXNSGKPB-STQMWFEESA-N 0 3 361.829 4.234 20 5 FIBDHN Cc1c(NC(=O)CCN(C)[C@@H](C)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000109093173 209298250 /nfs/dbraw/zinc/29/82/50/209298250.db2.gz TYNKWRGRICJEEK-AWEZNQCLSA-N 0 3 359.401 4.064 20 5 FIBDHN CCN(Cc1ccccc1[N+](=O)[O-])[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000517900737 567829354 /nfs/dbraw/zinc/82/93/54/567829354.db2.gz VAOCCPZATYKCRX-YLJYHZDGSA-N 0 3 353.466 4.252 20 5 FIBDHN CCCN(Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCCc2cccnc21 ZINC000481397122 567892309 /nfs/dbraw/zinc/89/23/09/567892309.db2.gz BDVMUHLGCIMJJL-KRWDZBQOSA-N 0 3 355.438 4.288 20 5 FIBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000482071879 568253880 /nfs/dbraw/zinc/25/38/80/568253880.db2.gz HKRYCWBKFVWWPM-KXBFYZLASA-N 0 3 370.453 4.025 20 5 FIBDHN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC[C@H]2[C@@H]2CCCOC2)c1 ZINC000568998108 568265511 /nfs/dbraw/zinc/26/55/11/568265511.db2.gz YGMYVAPFVGRGBP-WBMJQRKESA-N 0 3 358.360 4.005 20 5 FIBDHN Cc1ccc(Sc2ccc(CNC[C@](C)(O)C3CC3)cc2[N+](=O)[O-])cc1 ZINC000482127149 568268570 /nfs/dbraw/zinc/26/85/70/568268570.db2.gz CANVJJAHPWYYJD-FQEVSTJZSA-N 0 3 372.490 4.305 20 5 FIBDHN COc1cc(CN[C@@H]2CC[C@H](c3ccccc3)C[C@@H]2OC)ccc1[N+](=O)[O-] ZINC000570650054 568493728 /nfs/dbraw/zinc/49/37/28/568493728.db2.gz SNIFSZNQHAFVRW-NSHGMRRFSA-N 0 3 370.449 4.044 20 5 FIBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCc3c(F)cccc3F)o2)cc1 ZINC000608836252 1079835544 /nfs/dbraw/zinc/83/55/44/1079835544.db2.gz VLQQKLBSEKORPD-UHFFFAOYSA-N 0 3 358.344 4.465 20 5 FIBDHN Cc1ccc(CNC2(c3ccc(Cl)cc3)CCOCC2)cc1[N+](=O)[O-] ZINC000610271004 1080995012 /nfs/dbraw/zinc/99/50/12/1080995012.db2.gz ANQUYKVCAAHGQB-UHFFFAOYSA-N 0 3 360.841 4.352 20 5 FIBDHN Cc1cnc([C@H](NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C2CC2)s1 ZINC000121088317 1081401452 /nfs/dbraw/zinc/40/14/52/1081401452.db2.gz ZUZJRVVPEAYVJI-GOSISDBHSA-N 0 3 372.494 4.069 20 5 FIBDHN CC[C@H](NCc1ccccc1Cn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000119267086 1082072877 /nfs/dbraw/zinc/07/28/77/1082072877.db2.gz QLNCGUHBIBDTCE-FQEVSTJZSA-N 0 3 350.422 4.081 20 5 FIBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000580981304 1082265724 /nfs/dbraw/zinc/26/57/24/1082265724.db2.gz CBHVLDLJBJRNAX-CXAGYDPISA-N 0 3 374.441 4.001 20 5 FIBDHN C[C@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000177940006 1082353640 /nfs/dbraw/zinc/35/36/40/1082353640.db2.gz PEBZXJUIONWGGT-RBZFPXEDSA-N 0 3 354.406 4.168 20 5 FIBDHN CC[C@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000411883785 1083919092 /nfs/dbraw/zinc/91/90/92/1083919092.db2.gz DELLUAKMEQHAOT-LRDDRELGSA-N 0 3 361.829 4.316 20 5 FIBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(OCc2ccccc2F)CC1 ZINC000612582020 1083921782 /nfs/dbraw/zinc/92/17/82/1083921782.db2.gz JXTJVKIHKGIGKJ-UHFFFAOYSA-N 0 3 358.413 4.224 20 5 FIBDHN Cc1cc(C)n(CCCN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)n1 ZINC000179995819 1083973674 /nfs/dbraw/zinc/97/36/74/1083973674.db2.gz JFAWSNJIERKBRR-NRFANRHFSA-N 0 3 364.449 4.177 20 5 FIBDHN CC[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccc2c(c1)OCCO2 ZINC000178479479 1083983724 /nfs/dbraw/zinc/98/37/24/1083983724.db2.gz KSHGIEHDDZJDFK-KSSFIOAISA-N 0 3 356.422 4.476 20 5 FIBDHN O=[N+]([O-])c1ccccc1CCNCc1ccc(Sc2ccccn2)o1 ZINC000511367821 1084004513 /nfs/dbraw/zinc/00/45/13/1084004513.db2.gz VBPVEDTZCUPDAI-UHFFFAOYSA-N 0 3 355.419 4.066 20 5 FIBDHN CCc1ccc([C@@H](NCCCn2ccnc2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000511019929 1084204078 /nfs/dbraw/zinc/20/40/78/1084204078.db2.gz UTVQMPKLFSVWAG-FQEVSTJZSA-N 0 3 368.437 4.024 20 5 FIBDHN O=[N+]([O-])c1cccc([C@@H](NCCc2cn3ccccc3n2)c2ccccc2)c1 ZINC000180061713 1084211625 /nfs/dbraw/zinc/21/16/25/1084211625.db2.gz XWWSWVQOCIOUNO-QFIPXVFZSA-N 0 3 372.428 4.164 20 5 FIBDHN Cc1ccc([C@H](C)N[C@@H](C)c2cccc(N3CCOC3=O)c2)cc1[N+](=O)[O-] ZINC000156993156 1084287017 /nfs/dbraw/zinc/28/70/17/1084287017.db2.gz DBBAPJAPLWEVIM-GJZGRUSLSA-N 0 3 369.421 4.272 20 5 FIBDHN Cc1c([C@@H](C)N[C@@H](C)c2cccc(N3CCOC3=O)c2)cccc1[N+](=O)[O-] ZINC000157013954 1084294371 /nfs/dbraw/zinc/29/43/71/1084294371.db2.gz DNVSZFPAUKDRPM-LSDHHAIUSA-N 0 3 369.421 4.272 20 5 FIBDHN COc1cc(CN2CC[C@H](CC(C)C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC001167550539 1084673395 /nfs/dbraw/zinc/67/33/95/1084673395.db2.gz WFDPEUDZPBEOND-CYBMUJFWSA-N 0 3 372.412 4.115 20 5 FIBDHN CCN(Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@H]1CCOC(C)(C)C1 ZINC000582270207 1084822846 /nfs/dbraw/zinc/82/28/46/1084822846.db2.gz NVHLOXBHDKAEAM-KRWDZBQOSA-N 0 3 350.459 4.162 20 5 FIBDHN Cc1c([C@@H](C)NCc2ccc(NC(=O)NC(C)C)cc2)cccc1[N+](=O)[O-] ZINC000128027764 1085301275 /nfs/dbraw/zinc/30/12/75/1085301275.db2.gz XZYKHSLBNRBKPR-OAHLLOKOSA-N 0 3 370.453 4.284 20 5 FIBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccccc1Cn1ccnc1)CCC2 ZINC000278209341 1086580528 /nfs/dbraw/zinc/58/05/28/1086580528.db2.gz HPJGJMWGECJKAM-NRFANRHFSA-N 0 3 362.433 4.007 20 5 FIBDHN CCCC(=O)Nc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000158892746 1087524110 /nfs/dbraw/zinc/52/41/10/1087524110.db2.gz FRGJVPZZEDBPRT-HNNXBMFYSA-N 0 3 355.438 4.493 20 5 FIBDHN CCc1noc(CC)c1CN[C@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000504899610 1087971364 /nfs/dbraw/zinc/97/13/64/1087971364.db2.gz JJDUGKPESUZAPA-CYBMUJFWSA-N 0 3 363.483 4.368 20 5 FIBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1cn2cc(C)ccc2n1 ZINC000504917430 1087984080 /nfs/dbraw/zinc/98/40/80/1087984080.db2.gz BSJTZWOTDQPCTQ-HNNXBMFYSA-N 0 3 370.478 4.211 20 5 FIBDHN Cc1cccc(CN(C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1C ZINC000430106313 1088995166 /nfs/dbraw/zinc/99/51/66/1088995166.db2.gz PQLGNKCVHVYULU-UHFFFAOYSA-N 0 3 364.449 4.244 20 5 FIBDHN CCn1nccc1C1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000435034463 1089230635 /nfs/dbraw/zinc/23/06/35/1089230635.db2.gz NFPKKQRWUUQZJV-DTQAZKPQSA-N 0 3 354.454 4.094 20 5 FIBDHN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1sccc1Br ZINC000540173349 1089947270 /nfs/dbraw/zinc/94/72/70/1089947270.db2.gz CYCACGQYWNFPAX-SNVBAGLBSA-N 0 3 371.256 4.148 20 5 FIBDHN C[C@H](N[C@@H](c1ccccc1)C1CCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000104701025 1090309780 /nfs/dbraw/zinc/30/97/80/1090309780.db2.gz RULFIVAEBHFLIW-LIRRHRJNSA-N 0 3 353.422 4.053 20 5 FIBDHN COCCOc1ccc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417322043 1090814822 /nfs/dbraw/zinc/81/48/22/1090814822.db2.gz MKPJNWVSBAMBIZ-NRFANRHFSA-N 0 3 370.449 4.177 20 5 FIBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccccc1-n1ccnc1)CCCC2 ZINC000417340357 1090818301 /nfs/dbraw/zinc/81/83/01/1090818301.db2.gz MERUKHNGRHHGAW-FQEVSTJZSA-N 0 3 362.433 4.338 20 5 FIBDHN C[S@](=O)Cc1ccc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417332704 1090821472 /nfs/dbraw/zinc/82/14/72/1090821472.db2.gz OLJNIRFNZOITCM-FNZWTVRRSA-N 0 3 372.490 4.031 20 5 FIBDHN CC[C@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000566473838 1090860272 /nfs/dbraw/zinc/86/02/72/1090860272.db2.gz DRYMTPCPZFTWIA-IRXDYDNUSA-N 0 3 354.406 4.094 20 5 FIBDHN C[C@@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000584480243 1090966829 /nfs/dbraw/zinc/96/68/29/1090966829.db2.gz VCKMCCPYQGOSGT-YJYMSZOUSA-N 0 3 365.433 4.281 20 5 FIBDHN CN(C(=O)CN[C@H](c1ccc(F)cc1)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000053644128 1091282701 /nfs/dbraw/zinc/28/27/01/1091282701.db2.gz POGBBWMEFPNIGG-LJQANCHMSA-N 0 3 373.428 4.074 20 5 FIBDHN Cc1ccccc1[C@@H]1CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000728900684 1091801001 /nfs/dbraw/zinc/80/10/01/1091801001.db2.gz PHFNSKKZMIPOKR-GOSISDBHSA-N 0 3 362.433 4.214 20 5 FIBDHN O=[N+]([O-])c1cccc(-c2ccc(CN[C@@H]3CCC[C@H]3OC(F)F)o2)c1 ZINC000500499432 1092147609 /nfs/dbraw/zinc/14/76/09/1092147609.db2.gz DWVJHLNTSFAJNY-GDBMZVCRSA-N 0 3 352.337 4.105 20 5 FIBDHN O=[N+]([O-])c1cccc(-c2ccc(CNCCc3c(F)cccc3F)o2)c1 ZINC000520955697 1092381060 /nfs/dbraw/zinc/38/10/60/1092381060.db2.gz JBSLXNIYVAQZNR-UHFFFAOYSA-N 0 3 358.344 4.465 20 5 FIBDHN CSc1ccc([C@H](CNc2ncc([N+](=O)[O-])cc2Cl)N(C)C)cc1 ZINC000549683671 1092685761 /nfs/dbraw/zinc/68/57/61/1092685761.db2.gz KEIQYJAFHIWGNQ-HNNXBMFYSA-N 0 3 366.874 4.080 20 5 FIBDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000513055850 1093705495 /nfs/dbraw/zinc/70/54/95/1093705495.db2.gz FFMYUZWHGICKFO-UIAACRFSSA-N 0 3 358.413 4.175 20 5 FIBDHN COc1cc(CN[C@@H]2CC[C@H]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000513101298 1093847199 /nfs/dbraw/zinc/84/71/99/1093847199.db2.gz QFLLZWRWYSPQII-RHSMWYFYSA-N 0 3 356.422 4.071 20 5 FIBDHN Cc1c(NC(=O)CCN[C@@H](C)c2cc3ccccc3o2)cccc1[N+](=O)[O-] ZINC000182627078 1094140747 /nfs/dbraw/zinc/14/07/47/1094140747.db2.gz UMQRPDGYRSAVDV-AWEZNQCLSA-N 0 3 367.405 4.329 20 5 FIBDHN CC[C@@H](C)[C@@H](C)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000532966467 1098635671 /nfs/dbraw/zinc/63/56/71/1098635671.db2.gz 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COCCN(C)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000506353554 1100910489 /nfs/dbraw/zinc/91/04/89/1100910489.db2.gz PZMKUWTWWCTYPK-UHFFFAOYSA-N 0 3 350.802 4.119 20 5 FIBDHN Cc1ccc([C@H](C)NC[C@H](O)COc2ccccc2C(C)C)cc1[N+](=O)[O-] ZINC000537179228 1101522728 /nfs/dbraw/zinc/52/27/28/1101522728.db2.gz YOBKWIDUTNVIAD-WMZOPIPTSA-N 0 3 372.465 4.117 20 5 FIBDHN Cc1nc2ccccc2n1C[C@@H]1CCCN1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000537658533 1102774064 /nfs/dbraw/zinc/77/40/64/1102774064.db2.gz LMCVEPJNRFOGOR-SFHVURJKSA-N 0 3 364.449 4.226 20 5 FIBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000507008939 1103030566 /nfs/dbraw/zinc/03/05/66/1103030566.db2.gz SGDVAVKVJXLUST-LJQANCHMSA-N 0 3 373.428 4.358 20 5 FIBDHN CCN(Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-])CC(C)C ZINC000507133162 1103152332 /nfs/dbraw/zinc/15/23/32/1103152332.db2.gz SRBDZUJYXUEVOO-UHFFFAOYSA-N 0 3 364.364 4.022 20 5 FIBDHN Cc1ccc([C@H](C)NCCC(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000538277115 1104096769 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366.421 4.098 20 5 FIBDHN C[C@H](NCc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000449349941 1110038236 /nfs/dbraw/zinc/03/82/36/1110038236.db2.gz SHRRUBHAGNBUQK-YWZLYKJASA-N 0 3 356.422 4.003 20 5 FIBDHN CCC1(O)CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000538717737 1111260526 /nfs/dbraw/zinc/26/05/26/1111260526.db2.gz VICCTCHRUMJCLW-UHFFFAOYSA-N 0 3 364.829 4.245 20 5 FIBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](c1ccccc1C)C(C)C ZINC000539261474 1111498774 /nfs/dbraw/zinc/49/87/74/1111498774.db2.gz QTTGOLXYYXBIRD-HXUWFJFHSA-N 0 3 355.438 4.137 20 5 FIBDHN CCc1nc2c(s1)[C@@H](N(C)CCOc1cccc([N+](=O)[O-])c1)CCC2 ZINC000478047014 1111664286 /nfs/dbraw/zinc/66/42/86/1111664286.db2.gz KVIFQAGGHKSSJP-INIZCTEOSA-N 0 3 361.467 4.002 20 5 FIBDHN COc1cc2c(cc1OC)[C@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000479384448 1112006302 /nfs/dbraw/zinc/00/63/02/1112006302.db2.gz DDLKPNQZSXHGSA-CXAGYDPISA-N 0 3 356.422 4.259 20 5 FIBDHN COc1ccc(CN[C@H]2CCCc3c4ccccc4[nH]c32)cc1[N+](=O)[O-] ZINC000554735811 1112464782 /nfs/dbraw/zinc/46/47/82/1112464782.db2.gz YBJNFOJPVNABPU-KRWDZBQOSA-N 0 3 351.406 4.252 20 5 FIBDHN CCCCNC(=O)c1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000160109183 1113301342 /nfs/dbraw/zinc/30/13/42/1113301342.db2.gz SOKUYAHSZCMVMR-MRXNPFEDSA-N 0 3 369.465 4.284 20 5 FIBDHN COc1cc(CN(C)C2(C)CCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000489895996 1114183761 /nfs/dbraw/zinc/18/37/61/1114183761.db2.gz ZRTUAKDCXLZRCP-UHFFFAOYSA-N 0 3 358.385 4.012 20 5 FIBDHN CC[C@H](NCc1ccc(N2CCCCC2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000151049691 1114283865 /nfs/dbraw/zinc/28/38/65/1114283865.db2.gz WJBUQGFBFFXTCF-FQEVSTJZSA-N 0 3 367.449 4.353 20 5 FIBDHN C[C@H](N[C@@H](C)c1ccc(N2CCCC2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000156885947 1114631325 /nfs/dbraw/zinc/63/13/25/1114631325.db2.gz OFLDOOVFQHSBDG-GJZGRUSLSA-N 0 3 353.422 4.133 20 5 FIBDHN CN(C)[C@@H](CNc1ccc(C(F)F)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000589103479 1114696925 /nfs/dbraw/zinc/69/69/25/1114696925.db2.gz MCJXGCWTJUDSLS-INIZCTEOSA-N 0 3 353.344 4.386 20 5 FIBDHN COc1ccc(CN2CC(C3CC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000589736690 1114836828 /nfs/dbraw/zinc/83/68/28/1114836828.db2.gz BAGVZKUMYAVPMG-UHFFFAOYSA-N 0 3 368.433 4.024 20 5 FIBDHN CC[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccccc1F ZINC000594019956 1115364875 /nfs/dbraw/zinc/36/48/75/1115364875.db2.gz WFJNVPGUMUBMDW-QGZVFWFLSA-N 0 3 359.401 4.112 20 5 FIBDHN COc1cccc2c1OCC[C@@H]2NC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000594523078 1115460099 /nfs/dbraw/zinc/46/00/99/1115460099.db2.gz NAFUHDLHXYSGAK-BJRSVTDJSA-N 0 3 354.406 4.120 20 5 FIBDHN COC[C@@H](C)Oc1ccc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000594941843 1115501636 /nfs/dbraw/zinc/50/16/36/1115501636.db2.gz VHNCJDVFZNJHCB-CVEARBPZSA-N 0 3 358.438 4.168 20 5 FIBDHN COC[C@H](C)Oc1ccc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000594941844 1115501733 /nfs/dbraw/zinc/50/17/33/1115501733.db2.gz VHNCJDVFZNJHCB-HOTGVXAUSA-N 0 3 358.438 4.168 20 5 FIBDHN C[C@H](NCc1cccc(COC[C@H]2CCCO2)c1)c1cccc([N+](=O)[O-])c1 ZINC000595102450 1115516219 /nfs/dbraw/zinc/51/62/19/1115516219.db2.gz ICGBBWHTHIMFRU-HRAATJIYSA-N 0 3 370.449 4.141 20 5 FIBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCCC[C@H]3CC3CCC3)o2)cc1 ZINC000595866170 1115565097 /nfs/dbraw/zinc/56/50/97/1115565097.db2.gz FUFWVJFYDMBQTL-KRWDZBQOSA-N 0 3 356.426 4.190 20 5 FIBDHN CCN(CC)C(=O)Nc1ccc([C@@H](C)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000061001160 1115747689 /nfs/dbraw/zinc/74/76/89/1115747689.db2.gz LWIFADLMKOWGBD-OAHLLOKOSA-N 0 3 370.453 4.319 20 5 FIBDHN CC[C@H](NCc1cccc([N+](=O)[O-])c1C)c1cc(OC)c(OC)c(OC)c1 ZINC000593726102 1115806052 /nfs/dbraw/zinc/80/60/52/1115806052.db2.gz MDCRFRZESJGBOG-INIZCTEOSA-N 0 3 374.437 4.170 20 5 FIBDHN O=[N+]([O-])c1ccccc1CN(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000609075662 1116305073 /nfs/dbraw/zinc/30/50/73/1116305073.db2.gz QFHTWBLXNHEEQE-UHFFFAOYSA-N 0 3 352.434 4.475 20 5 FIBDHN CC(C)[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000152768686 1116323655 /nfs/dbraw/zinc/32/36/55/1116323655.db2.gz CLXPOJIVPTXCOE-VBKZILBWSA-N 0 3 356.422 4.414 20 5 FIBDHN C[C@@H](N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1 ZINC000443220247 1116382391 /nfs/dbraw/zinc/38/23/91/1116382391.db2.gz VJEKDMBAPILAGB-UONOGXRCSA-N 0 3 367.405 4.409 20 5 FIBDHN C[C@@H](NC[C@@](C)(O)C(F)(F)F)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000540151634 1117906279 /nfs/dbraw/zinc/90/62/79/1117906279.db2.gz SVKHGJCUPFPBPF-MEBBXXQBSA-N 0 3 374.384 4.287 20 5 FIBDHN C[C@H](c1ccccc1)N(CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000463237731 1118045386 /nfs/dbraw/zinc/04/53/86/1118045386.db2.gz XJRTZTJLCHNEMF-QGZVFWFLSA-N 0 3 350.422 4.055 20 5 FIBDHN CC[C@H](Nc1ccccc1N1CCN(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000540744959 1118230506 /nfs/dbraw/zinc/23/05/06/1118230506.db2.gz ABIMOYPOTAQKSF-IBGZPJMESA-N 0 3 368.481 4.300 20 5 FIBDHN COc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541701963 1118616672 /nfs/dbraw/zinc/61/66/72/1118616672.db2.gz ZTWZRZBPLQGYGD-YLJYHZDGSA-N 0 3 374.412 4.095 20 5 FIBDHN O=[N+]([O-])c1cc(CNC2(Cc3ccccc3Br)CC2)cs1 ZINC000492256742 1119055679 /nfs/dbraw/zinc/05/56/79/1119055679.db2.gz IHGOCMFMHYKGMN-UHFFFAOYSA-N 0 3 367.268 4.284 20 5 FIBDHN CCOc1ccc([C@@H](C)NCc2ccccc2-n2ccnc2)cc1[N+](=O)[O-] ZINC000153168065 1119130210 /nfs/dbraw/zinc/13/02/10/1119130210.db2.gz KPZZTTAYQQMKDY-OAHLLOKOSA-N 0 3 366.421 4.030 20 5 FIBDHN CCOc1cc(CN[C@@H](C[C@H]2CCOC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000492748965 1119178192 /nfs/dbraw/zinc/17/81/92/1119178192.db2.gz NGAZDXZJSPMIFD-MJGOQNOKSA-N 0 3 370.449 4.251 20 5 FIBDHN COc1cc(CN[C@H](C)[C@@H](OC)c2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000492781537 1119187428 /nfs/dbraw/zinc/18/74/28/1119187428.db2.gz DBBGNRQGOQQYQT-KZULUSFZSA-N 0 3 364.829 4.123 20 5 FIBDHN O=[N+]([O-])c1cccc([C@@H](NCC2(CCO)CCCC2)c2ccccc2)c1 ZINC000493064369 1119274716 /nfs/dbraw/zinc/27/47/16/1119274716.db2.gz ZNEOVWIOVXGFTP-FQEVSTJZSA-N 0 3 354.450 4.217 20 5 FIBDHN O=[N+]([O-])c1ccc2oc(CN[C@H]3CCC[C@@H]3Cc3ccccc3)nc2c1 ZINC000493521892 1119473049 /nfs/dbraw/zinc/47/30/49/1119473049.db2.gz HAXAWCQEGTYCET-WBVHZDCISA-N 0 3 351.406 4.237 20 5 FIBDHN Cc1nccn1-c1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1F ZINC000153714296 1121044482 /nfs/dbraw/zinc/04/44/82/1121044482.db2.gz UCEAIXXDPGMHHV-AWEZNQCLSA-N 0 3 368.412 4.387 20 5 FIBDHN O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)c(Cl)c1 ZINC000326406444 1121160597 /nfs/dbraw/zinc/16/05/97/1121160597.db2.gz IXTSMUQFNVYLAJ-KBAYOESNSA-N 0 3 352.862 4.154 20 5 FIBDHN O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)c(Cl)c1 ZINC000326406442 1121313222 /nfs/dbraw/zinc/31/32/22/1121313222.db2.gz IXTSMUQFNVYLAJ-CGTJXYLNSA-N 0 3 352.862 4.154 20 5 FIBDHN CC(=O)c1ccc(Nc2cccc(CN3CCSCC3)c2)c([N+](=O)[O-])c1 ZINC000301202424 1122170618 /nfs/dbraw/zinc/17/06/18/1122170618.db2.gz QBEHFJXCHIVJPL-UHFFFAOYSA-N 0 3 371.462 4.090 20 5 FIBDHN COc1cc(CNC2CC(C(C)(C)C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000556934679 1123247585 /nfs/dbraw/zinc/24/75/85/1123247585.db2.gz RALDHWGHZPEGPU-UHFFFAOYSA-N 0 3 372.412 4.162 20 5 FIBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1ccc(C)nc1N1CCCC1 ZINC000615727454 1124109125 /nfs/dbraw/zinc/10/91/25/1124109125.db2.gz XGMRCNWUEQUZOO-FOWTUZBSSA-N 0 3 366.465 4.092 20 5 FIBDHN Cc1c([C@H](C)NCc2ccc(-n3ccnc3)c(F)c2)cccc1[N+](=O)[O-] ZINC000153656533 1124184329 /nfs/dbraw/zinc/18/43/29/1124184329.db2.gz DDEQFUMNXKERMO-AWEZNQCLSA-N 0 3 354.385 4.079 20 5 FIBDHN CC[C@@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC001168676187 1124749631 /nfs/dbraw/zinc/74/96/31/1124749631.db2.gz JEAGJDUZPLTLRR-SJKOYZFVSA-N 0 3 361.829 4.316 20 5 FIBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1ccccc1)[C@H](C)C1CC1 ZINC000096967812 209165297 /nfs/dbraw/zinc/16/52/97/209165297.db2.gz NIBMDRZBFHATFC-MRXNPFEDSA-N 0 3 367.449 4.142 20 5 FIBDHN COc1ccc(CN[C@H](C)[C@@H](OC)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000481548719 568049956 /nfs/dbraw/zinc/04/99/56/568049956.db2.gz ZOTSWTVCVJSCGP-KZULUSFZSA-N 0 3 364.829 4.123 20 5 FIBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(CCCn2ccnc2)CC1 ZINC000568682237 568120537 /nfs/dbraw/zinc/12/05/37/568120537.db2.gz QOJUJNIRBWIEOQ-JXAWBTAJSA-N 0 3 368.481 4.387 20 5 FIBDHN CN(CCOc1cccc([N+](=O)[O-])c1)Cc1ccc(C(F)(F)F)cc1 ZINC000302926249 568243965 /nfs/dbraw/zinc/24/39/65/568243965.db2.gz CYWWVYQUVUTLNE-UHFFFAOYSA-N 0 3 354.328 4.124 20 5 FIBDHN Cc1ccc(CN2CCCC2)cc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000128746043 568246364 /nfs/dbraw/zinc/24/63/64/568246364.db2.gz JIRZKEDNEPPEEU-UHFFFAOYSA-N 0 3 367.449 4.070 20 5 FIBDHN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC[C@H]2[C@H]2CCCOC2)c1 ZINC000568998106 568265538 /nfs/dbraw/zinc/26/55/38/568265538.db2.gz YGMYVAPFVGRGBP-LRDDRELGSA-N 0 3 358.360 4.005 20 5 FIBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000619722718 1125668551 /nfs/dbraw/zinc/66/85/51/1125668551.db2.gz UZGNKHJUQRPEIQ-HZPDHXFCSA-N 0 3 354.454 4.068 20 5 FIBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000619722883 1125669711 /nfs/dbraw/zinc/66/97/11/1125669711.db2.gz PYWJBCZYFFEFIG-DOTOQJQBSA-N 0 3 354.454 4.068 20 5 FIBDHN O=[N+]([O-])c1cccc(-c2ccc(CNCCOc3ccccc3F)o2)c1 ZINC000608835521 1079739724 /nfs/dbraw/zinc/73/97/24/1079739724.db2.gz QRXRWRAWRPGBCW-UHFFFAOYSA-N 0 3 356.353 4.163 20 5 FIBDHN CC[C@H]1CCN1Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000430207324 1079944883 /nfs/dbraw/zinc/94/48/83/1079944883.db2.gz QOBFPZNPQVGPRI-KRWDZBQOSA-N 0 3 356.422 4.167 20 5 FIBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](C)c1ccccc1Cl ZINC000237496689 1080963652 /nfs/dbraw/zinc/96/36/52/1080963652.db2.gz FYGZNXAXERHTDP-OLZOCXBDSA-N 0 3 361.829 4.316 20 5 FIBDHN O=[N+]([O-])c1ccc2oc(CN3CCC[C@H]3Cc3ccc(F)cc3)nc2c1 ZINC000083169072 1081267692 /nfs/dbraw/zinc/26/76/92/1081267692.db2.gz BJFRFINUERWDOP-HNNXBMFYSA-N 0 3 355.369 4.082 20 5 FIBDHN COc1cc(CN2CCC[C@@H]2C(C)(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000609195457 1081378184 /nfs/dbraw/zinc/37/81/84/1081378184.db2.gz YLOIDUDRSQRXAU-OAHLLOKOSA-N 0 3 358.385 4.215 20 5 FIBDHN CCOC(=O)[C@H]1CC[C@H](NCc2cccc([N+](=O)[O-])c2C)c2ccccc21 ZINC000580035396 1081499460 /nfs/dbraw/zinc/49/94/60/1081499460.db2.gz GZYIHKRVUHFLMK-OALUTQOASA-N 0 3 368.433 4.175 20 5 FIBDHN C[C@@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1n1ccnc1 ZINC000247262700 1081931250 /nfs/dbraw/zinc/93/12/50/1081931250.db2.gz XRZSJRUOAFZTHR-DNVCBOLYSA-N 0 3 366.421 4.134 20 5 FIBDHN COc1ccccc1[C@@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)OC(C)C ZINC000471611667 1082091473 /nfs/dbraw/zinc/09/14/73/1082091473.db2.gz CPQOZELPBNXWBB-MGPUTAFESA-N 0 3 358.438 4.420 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000156842139 1082343881 /nfs/dbraw/zinc/34/38/81/1082343881.db2.gz CPUIZVIYVRGZNG-HZPDHXFCSA-N 0 3 367.449 4.442 20 5 FIBDHN CC(C)(C)OC(=O)CCCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000561527481 1082775824 /nfs/dbraw/zinc/77/58/24/1082775824.db2.gz AQLQBEGQCDHEKC-UHFFFAOYSA-N 0 3 360.410 4.066 20 5 FIBDHN O=[N+]([O-])c1ccc(OCCNC2(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000477438490 1082870692 /nfs/dbraw/zinc/87/06/92/1082870692.db2.gz UVIKJHONVCIOKO-UHFFFAOYSA-N 0 3 366.339 4.271 20 5 FIBDHN C[C@@H](Cc1ccc(Cl)cc1)N(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582147 1083213356 /nfs/dbraw/zinc/21/33/56/1083213356.db2.gz AJKATRUEAUKZAE-LBPRGKRZSA-N 0 3 359.813 4.452 20 5 FIBDHN COc1ccc(-c2ccc(CN3CCC(OC(C)C)CC3)o2)c([N+](=O)[O-])c1 ZINC000535796576 1083671739 /nfs/dbraw/zinc/67/17/39/1083671739.db2.gz RAOQZOHKOPLRLW-UHFFFAOYSA-N 0 3 374.437 4.253 20 5 FIBDHN CC[C@@H](N[C@H](C)c1ccc2c(c1)CCC(=O)N2)c1cccc([N+](=O)[O-])c1 ZINC000610799730 1083704305 /nfs/dbraw/zinc/70/43/05/1083704305.db2.gz LJVFTUYUSDQQIF-FZKQIMNGSA-N 0 3 353.422 4.281 20 5 FIBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC([C@@H]3CCOC3)CC2)o1 ZINC000612402258 1083777141 /nfs/dbraw/zinc/77/71/41/1083777141.db2.gz ZLLLVRHYRNLKGK-MRXNPFEDSA-N 0 3 356.422 4.103 20 5 FIBDHN Cc1ccc([C@H](C)NCCC(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000411470048 1083781253 /nfs/dbraw/zinc/78/12/53/1083781253.db2.gz BJWUUBSPUKSVIZ-ZDUSSCGKSA-N 0 3 361.829 4.236 20 5 FIBDHN C[C@@H](NC(=O)c1cccc(CN2CCCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000411504003 1083784643 /nfs/dbraw/zinc/78/46/43/1083784643.db2.gz LEXOAIFDJGJGPS-MRXNPFEDSA-N 0 3 367.449 4.072 20 5 FIBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1nn(C)c2ccccc12 ZINC000612829216 1084121050 /nfs/dbraw/zinc/12/10/50/1084121050.db2.gz BBQCRRUOIRFOKF-AWEZNQCLSA-N 0 3 370.478 4.142 20 5 FIBDHN CC[C@@H](NCc1ccc(Cn2cccn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178504307 1084261571 /nfs/dbraw/zinc/26/15/71/1084261571.db2.gz YHGSBGCIUGBMOO-HXUWFJFHSA-N 0 3 350.422 4.081 20 5 FIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3c4ccccc4C[C@@H]3O)s2)cc1 ZINC000085334331 1084795775 /nfs/dbraw/zinc/79/57/75/1084795775.db2.gz DASOAKDYFZRWCR-ICSRJNTNSA-N 0 3 366.442 4.071 20 5 FIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3c4ccccc4C[C@H]3O)s2)cc1 ZINC000085334329 1084796177 /nfs/dbraw/zinc/79/61/77/1084796177.db2.gz DASOAKDYFZRWCR-UYAOXDASSA-N 0 3 366.442 4.071 20 5 FIBDHN CN(C)Cc1ccc(-c2noc(-c3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 ZINC000531109607 1084853486 /nfs/dbraw/zinc/85/34/86/1084853486.db2.gz YMFDASADJFUNGM-UHFFFAOYSA-N 0 3 358.785 4.027 20 5 FIBDHN Cc1ccn(-c2ccccc2CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000127586714 1084957849 /nfs/dbraw/zinc/95/78/49/1084957849.db2.gz VSNPGMLXZLVGMU-INIZCTEOSA-N 0 3 350.422 4.248 20 5 FIBDHN CC[C@@H](NCc1ccc(NC(=O)NC(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000128053089 1085344593 /nfs/dbraw/zinc/34/45/93/1085344593.db2.gz JUTCSBGFBBRIDJ-LJQANCHMSA-N 0 3 370.453 4.366 20 5 FIBDHN O=[N+]([O-])c1ccccc1C[C@@H](NCc1coc(-c2cccs2)n1)C1CC1 ZINC000178658468 1085684082 /nfs/dbraw/zinc/68/40/82/1085684082.db2.gz YNUHAUBHFBLTQR-MRXNPFEDSA-N 0 3 369.446 4.422 20 5 FIBDHN C[C@@H](NC[C@@H](O)c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000161461509 1085951490 /nfs/dbraw/zinc/95/14/90/1085951490.db2.gz YSAVTCHRDOMYKX-QLJPJBMISA-N 0 3 355.221 4.286 20 5 FIBDHN COc1ccc([C@H](C)N[C@@H]2CCc3c2cccc3[N+](=O)[O-])c(C)c1OC ZINC000582974536 1085980581 /nfs/dbraw/zinc/98/05/81/1085980581.db2.gz FAWNLKOVSYIPCI-SUMWQHHRSA-N 0 3 356.422 4.259 20 5 FIBDHN C[C@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc([S@@](C)=O)cc1 ZINC000278886657 1086530248 /nfs/dbraw/zinc/53/02/48/1086530248.db2.gz YIDCCTBIZUFNDL-HPOCOGEFSA-N 0 3 358.463 4.060 20 5 FIBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC(c3ccncn3)CC2)o1 ZINC000414472210 1088672562 /nfs/dbraw/zinc/67/25/62/1088672562.db2.gz RAZGQJWRTLZWNJ-UHFFFAOYSA-N 0 3 364.405 4.024 20 5 FIBDHN C[C@H](N[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)c1cnn(C)c1 ZINC000163824270 1089962440 /nfs/dbraw/zinc/96/24/40/1089962440.db2.gz VEOKCGWFJSLVJB-STQMWFEESA-N 0 3 356.451 4.469 20 5 FIBDHN C[C@@H](N[C@@H](c1ccccc1)C1CCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000104701028 1090309885 /nfs/dbraw/zinc/30/98/85/1090309885.db2.gz RULFIVAEBHFLIW-KUHUBIRLSA-N 0 3 353.422 4.053 20 5 FIBDHN COCCOc1cccc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417330901 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4.008 20 5 FIBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C)cc1CN(C)C ZINC000185369047 1093728903 /nfs/dbraw/zinc/72/89/03/1093728903.db2.gz JLMBVLHXJJBRKL-QGZVFWFLSA-N 0 3 369.465 4.172 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000182832394 1094173812 /nfs/dbraw/zinc/17/38/12/1094173812.db2.gz JIKMPDFIXBOWQE-LPHOPBHVSA-N 0 3 362.470 4.014 20 5 FIBDHN Cc1c2ccccc2oc1[C@H](C)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000183619750 1095764358 /nfs/dbraw/zinc/76/43/58/1095764358.db2.gz WKVJLXYWCSAUEQ-AWEZNQCLSA-N 0 3 367.405 4.329 20 5 FIBDHN COc1cc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)ccn1 ZINC000237265197 1095922178 /nfs/dbraw/zinc/92/21/78/1095922178.db2.gz MZBQUDASUYPLSD-UHFFFAOYSA-N 0 3 355.419 4.017 20 5 FIBDHN Cc1cc([N+](=O)[O-])ccc1CNCc1cc2cc(Br)ccc2[nH]1 ZINC000183818737 1096218156 /nfs/dbraw/zinc/21/81/56/1096218156.db2.gz BETGHZXMVSUHQH-UHFFFAOYSA-N 0 3 374.238 4.437 20 5 FIBDHN CCOC(=O)[C@@H]1CC[C@H](N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 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Cc1c([C@@H](C)N[C@@H](CN2CCCC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000120833021 1103368984 /nfs/dbraw/zinc/36/89/84/1103368984.db2.gz MFYDKJLCEHGJAB-XLIONFOSSA-N 0 3 353.466 4.391 20 5 FIBDHN COc1ccc(OCCN2CCC[C@H]2c2ccc(C)s2)c([N+](=O)[O-])c1 ZINC000441394356 1104327901 /nfs/dbraw/zinc/32/79/01/1104327901.db2.gz ONBHCXCBWKVFRT-HNNXBMFYSA-N 0 3 362.451 4.189 20 5 FIBDHN O=[N+]([O-])c1cc(CN[C@H]2CCO[C@H]2C2CC2)ccc1Oc1ccc(F)cc1 ZINC000536338361 1104756979 /nfs/dbraw/zinc/75/69/79/1104756979.db2.gz GGMVGVYVVUUFHG-PXNSSMCTSA-N 0 3 372.396 4.183 20 5 FIBDHN CCC[C@H](NCc1ccc(F)c(CN(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000120920591 1104919811 /nfs/dbraw/zinc/91/98/11/1104919811.db2.gz CFGUCXPQTNGTMC-FQEVSTJZSA-N 0 3 359.445 4.427 20 5 FIBDHN C[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1 ZINC000182630496 1106773386 /nfs/dbraw/zinc/77/33/86/1106773386.db2.gz KZGUBBUWAOEXJN-ZDUSSCGKSA-N 0 3 353.378 4.020 20 5 FIBDHN CN(C)Cc1ccc(-c2noc(/C=C/c3ccc(F)cc3[N+](=O)[O-])n2)cc1 ZINC000530871909 1107376988 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351.834 4.014 20 5 FIBDHN O=[N+]([O-])c1ccc(CNC[C@@H](c2ccco2)N2CCCCC2)cc1Cl ZINC000761520346 1119409351 /nfs/dbraw/zinc/40/93/51/1119409351.db2.gz BQNIMBOIOCFTAC-KRWDZBQOSA-N 0 3 363.845 4.158 20 5 FIBDHN Cc1ccc([C@@H](CNCc2ccc([N+](=O)[O-])c(Cl)c2)N2CCCC2)o1 ZINC000761531169 1119411172 /nfs/dbraw/zinc/41/11/72/1119411172.db2.gz BXWQWKGYRWMOJT-QGZVFWFLSA-N 0 3 363.845 4.076 20 5 FIBDHN Cc1c(CN[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000494450272 1119864357 /nfs/dbraw/zinc/86/43/57/1119864357.db2.gz DARRXSRMMQIDHY-FUHWJXTLSA-N 0 3 364.804 4.316 20 5 FIBDHN CC(C)[C@H](O)C(C)(C)CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000494715089 1120079361 /nfs/dbraw/zinc/07/93/61/1120079361.db2.gz LSPCFQYPMAZEAD-UXHICEINSA-N 0 3 356.466 4.317 20 5 FIBDHN CC(=O)c1cc(NC[C@H](c2ccccc2)N2CCCC2)ccc1[N+](=O)[O-] ZINC000552908266 1121363622 /nfs/dbraw/zinc/36/36/22/1121363622.db2.gz PUMWGTNUEJLIBC-HXUWFJFHSA-N 0 3 353.422 4.046 20 5 FIBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000917134003 1122190851 /nfs/dbraw/zinc/19/08/51/1122190851.db2.gz LSXHFQMDVPPMAB-MRXNPFEDSA-N 0 3 365.433 4.464 20 5 FIBDHN CC[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H](O)C(F)(F)F ZINC000498373321 1122756335 /nfs/dbraw/zinc/75/63/35/1122756335.db2.gz NCMKSQLAIOTBGK-SWLSCSKDSA-N 0 3 374.384 4.115 20 5 FIBDHN O=[N+]([O-])c1ccc(OCCCN2CCSC[C@@H]2c2ccccc2)cc1 ZINC000609672574 1123790122 /nfs/dbraw/zinc/79/01/22/1123790122.db2.gz QENWJEGHRXULCY-LJQANCHMSA-N 0 3 358.463 4.154 20 5 FIBDHN COc1cc(CN2CCCC[C@@H]2C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000609766971 1123825453 /nfs/dbraw/zinc/82/54/53/1123825453.db2.gz AEFMABHVXIFSNC-CYBMUJFWSA-N 0 3 358.385 4.215 20 5 FIBDHN CN1CCC[C@H](CNc2ncc(Cl)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000301753108 1125209428 /nfs/dbraw/zinc/20/94/28/1125209428.db2.gz VYIZDQRIITWQKY-ABAIWWIYSA-N 0 3 366.874 4.200 20 5 FIBDHN COc1cc(CN[C@@H]2CC[C@@H](F)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000568357265 568033267 /nfs/dbraw/zinc/03/32/67/568033267.db2.gz RRHNODPRZQTVQN-IAGOWNOFSA-N 0 3 374.412 4.163 20 5 FIBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1OC ZINC000568543346 568048825 /nfs/dbraw/zinc/04/88/25/568048825.db2.gz QULULNCYXKVHPB-BSIFCXSSSA-N 0 3 370.449 4.044 20 5 FIBDHN Cc1sc(C(=O)Nc2cc(CN3CCCC3)ccc2C)cc1[N+](=O)[O-] ZINC000128590513 568060799 /nfs/dbraw/zinc/06/07/99/568060799.db2.gz GTFOOYMDZOKOMX-UHFFFAOYSA-N 0 3 359.451 4.121 20 5 FIBDHN Cc1ccc([C@H](CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)N2CCCC2)o1 ZINC000482014303 568230622 /nfs/dbraw/zinc/23/06/22/568230622.db2.gz JGNYYEVOFYWQKP-LPHOPBHVSA-N 0 3 357.454 4.292 20 5 FIBDHN COc1cc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c2ccccc2n1 ZINC000569312476 568367469 /nfs/dbraw/zinc/36/74/69/568367469.db2.gz MODCWWCGTGTQLH-LJQANCHMSA-N 0 3 363.417 4.319 20 5 FIBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000619722886 1125669861 /nfs/dbraw/zinc/66/98/61/1125669861.db2.gz PYWJBCZYFFEFIG-WBVHZDCISA-N 0 3 354.454 4.068 20 5 FIBDHN CCOc1ccc([C@@H](C)N[C@H](CCCO)c2ccccc2)cc1[N+](=O)[O-] ZINC000153945312 1079752208 /nfs/dbraw/zinc/75/22/08/1079752208.db2.gz JUSGUOAUPUKCTJ-CRAIPNDOSA-N 0 3 358.438 4.158 20 5 FIBDHN CC[C@H]1CCN1Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000430207832 1079953840 /nfs/dbraw/zinc/95/38/40/1079953840.db2.gz RSOUBWLUJTZOSR-KRWDZBQOSA-N 0 3 356.422 4.167 20 5 FIBDHN CCOC(=O)C(C)(C)C1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000510157768 1080446475 /nfs/dbraw/zinc/44/64/75/1080446475.db2.gz ANZTVYJALIPEHM-OAHLLOKOSA-N 0 3 362.470 4.266 20 5 FIBDHN CC(C)C[C@@H]1CCCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000246962160 1080653174 /nfs/dbraw/zinc/65/31/74/1080653174.db2.gz CIBVFPHXWYPYTA-CABCVRRESA-N 0 3 358.442 4.464 20 5 FIBDHN Cc1ccccc1[C@H]1C[C@@H](C)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000610001986 1081372385 /nfs/dbraw/zinc/37/23/85/1081372385.db2.gz ROEIIVKIJFVSAX-CVEARBPZSA-N 0 3 368.433 4.148 20 5 FIBDHN Cc1cc([C@@H](NCCc2ccccc2[N+](=O)[O-])c2cccnc2)ccc1F ZINC000548066842 1081721221 /nfs/dbraw/zinc/72/12/21/1081721221.db2.gz KGYYIUSCEOQJHI-OAQYLSRUSA-N 0 3 365.408 4.359 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000050273587 1081986771 /nfs/dbraw/zinc/98/67/71/1081986771.db2.gz QFBGFQCEOQNUSU-LJQANCHMSA-N 0 3 373.840 4.236 20 5 FIBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H]2c3ccccc3C[C@@H]2O)s1 ZINC000119191662 1082007619 /nfs/dbraw/zinc/00/76/19/1082007619.db2.gz XCULHFGZAOGFNX-ICSRJNTNSA-N 0 3 366.442 4.071 20 5 FIBDHN COc1ccc(CN[C@H]2CCCc3ccc(SC)cc32)cc1[N+](=O)[O-] ZINC000580834321 1082178682 /nfs/dbraw/zinc/17/86/82/1082178682.db2.gz NTCWBAWSCZSFHM-KRWDZBQOSA-N 0 3 358.463 4.493 20 5 FIBDHN Cc1ccc([C@@H](C)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1[N+](=O)[O-] ZINC000177937957 1082352296 /nfs/dbraw/zinc/35/22/96/1082352296.db2.gz UEBCEEPWWVSXAQ-SPLOXXLWSA-N 0 3 368.433 4.476 20 5 FIBDHN CCC[C@H](N[C@H](C)c1ccc(-n2cncn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178324007 1083181522 /nfs/dbraw/zinc/18/15/22/1083181522.db2.gz KAQJTCIKWVIXDV-QRWLVFNGSA-N 0 3 365.437 4.368 20 5 FIBDHN C[C@@H](NCCc1ccccc1[N+](=O)[O-])c1nc2ccc(Cl)cc2n1C ZINC000548394927 1083224590 /nfs/dbraw/zinc/22/45/90/1083224590.db2.gz KVJZCOPKMBLBBS-GFCCVEGCSA-N 0 3 358.829 4.028 20 5 FIBDHN CC[C@@H](N[C@H](Cc1nccn1C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000610828241 1083744936 /nfs/dbraw/zinc/74/49/36/1083744936.db2.gz PLBITZWCAYJNTK-WOJBJXKFSA-N 0 3 364.449 4.353 20 5 FIBDHN Cc1c([C@H](C)N[C@H](Cc2nccn2C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000610828044 1083745734 /nfs/dbraw/zinc/74/57/34/1083745734.db2.gz HVFSEWCBCGVQBS-QFBILLFUSA-N 0 3 364.449 4.271 20 5 FIBDHN CSc1ccccc1NC(=O)CCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000411758007 1083874573 /nfs/dbraw/zinc/87/45/73/1083874573.db2.gz MPWBPMQNMVHXDE-UHFFFAOYSA-N 0 3 373.478 4.170 20 5 FIBDHN COc1ccccc1[C@H](CNCc1ccc(C)c([N+](=O)[O-])c1)OC(C)C ZINC000472050471 1084178538 /nfs/dbraw/zinc/17/85/38/1084178538.db2.gz ZFEXACSUXXFJLN-FQEVSTJZSA-N 0 3 358.438 4.168 20 5 FIBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1C(F)(F)F ZINC000065532982 1084251947 /nfs/dbraw/zinc/25/19/47/1084251947.db2.gz AROHEJUIVKFMHD-UHFFFAOYSA-N 0 3 354.328 4.124 20 5 FIBDHN Cc1c([C@H](C)N[C@@H](C)c2ccc(N3CCOC3=O)cc2)cccc1[N+](=O)[O-] ZINC000177754019 1084284667 /nfs/dbraw/zinc/28/46/67/1084284667.db2.gz VLWVXFQKQZRTBJ-GJZGRUSLSA-N 0 3 369.421 4.272 20 5 FIBDHN Cc1ccc([C@@H](C)N[C@@H](C)c2cccc(N3CCOC3=O)c2)cc1[N+](=O)[O-] ZINC000156992994 1084286692 /nfs/dbraw/zinc/28/66/92/1084286692.db2.gz DBBAPJAPLWEVIM-LSDHHAIUSA-N 0 3 369.421 4.272 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000157012428 1084293087 /nfs/dbraw/zinc/29/30/87/1084293087.db2.gz QIMONNMWIHAENL-LSDHHAIUSA-N 0 3 369.421 4.272 20 5 FIBDHN Cc1c([C@H](C)N[C@H](C)c2cccc(N3CCOC3=O)c2)cccc1[N+](=O)[O-] ZINC000157014412 1084294894 /nfs/dbraw/zinc/29/48/94/1084294894.db2.gz DNVSZFPAUKDRPM-CABCVRRESA-N 0 3 369.421 4.272 20 5 FIBDHN C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1nc2ccc(Cl)cc2n1C ZINC000180094595 1084389729 /nfs/dbraw/zinc/38/97/29/1084389729.db2.gz JJWWXBRGIUCTAE-GFCCVEGCSA-N 0 3 358.829 4.028 20 5 FIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3c4ccccc4C[C@@H]3O)s2)cc1 ZINC000085334326 1084796014 /nfs/dbraw/zinc/79/60/14/1084796014.db2.gz DASOAKDYFZRWCR-AZUAARDMSA-N 0 3 366.442 4.071 20 5 FIBDHN Cc1ccc(CN2CCC[C@@H](c3nc4ccccc4o3)C2)cc1[N+](=O)[O-] ZINC000127816282 1085114012 /nfs/dbraw/zinc/11/40/12/1085114012.db2.gz KHEPOCTVIYYOGE-MRXNPFEDSA-N 0 3 351.406 4.424 20 5 FIBDHN COc1cc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)c2ccccc2n1 ZINC000124905921 1085199338 /nfs/dbraw/zinc/19/93/38/1085199338.db2.gz JFCATXIDTSTHJD-CQSZACIVSA-N 0 3 351.406 4.311 20 5 FIBDHN CC[C@@H](C)N[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)c1ccco1 ZINC000479611892 1085231044 /nfs/dbraw/zinc/23/10/44/1085231044.db2.gz ABPIOEWMTSDMCN-ZBFHGGJFSA-N 0 3 374.441 4.056 20 5 FIBDHN O=[N+]([O-])c1cc(CNC2(CO)CCC2)ccc1Oc1ccccc1Cl ZINC000178638568 1085416242 /nfs/dbraw/zinc/41/62/42/1085416242.db2.gz LHDJTYZAYKACIN-UHFFFAOYSA-N 0 3 362.813 4.045 20 5 FIBDHN O=[N+]([O-])c1cc(CN2CCC[C@H]2CCc2ccccc2)c2c(c1)COCO2 ZINC000052106016 1086206126 /nfs/dbraw/zinc/20/61/26/1086206126.db2.gz VOTVCVUJSFQRSS-IBGZPJMESA-N 0 3 368.433 4.059 20 5 FIBDHN CCOc1cc(NC2CCN([C@H](C)c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000092687358 1087444785 /nfs/dbraw/zinc/44/47/85/1087444785.db2.gz FXCRTMSZKSPNTM-OAHLLOKOSA-N 0 3 370.453 4.026 20 5 FIBDHN COc1ccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cn1 ZINC000102420914 1087697791 /nfs/dbraw/zinc/69/77/91/1087697791.db2.gz GGHVIAKHDVOKBX-UHFFFAOYSA-N 0 3 355.419 4.017 20 5 FIBDHN CCN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1occc1C ZINC000412028769 1087961912 /nfs/dbraw/zinc/96/19/12/1087961912.db2.gz SOLIUVLTQPPORU-UHFFFAOYSA-N 0 3 355.394 4.216 20 5 FIBDHN CCOc1ccc([C@H](C)NCc2cccc(-n3ccnc3)c2)cc1[N+](=O)[O-] ZINC000504922225 1087974971 /nfs/dbraw/zinc/97/49/71/1087974971.db2.gz ZKEJZRNNIGDTPU-HNNXBMFYSA-N 0 3 366.421 4.030 20 5 FIBDHN O=[N+]([O-])c1cccc([C@@H](NC[C@@H](CO)c2ccccc2)c2ccccc2)c1 ZINC000180719784 1088043175 /nfs/dbraw/zinc/04/31/75/1088043175.db2.gz JRWGDADDOVTGLE-UNMCSNQZSA-N 0 3 362.429 4.050 20 5 FIBDHN O=[N+]([O-])c1cccc([C@@H](NC[C@H](CO)c2ccccc2)c2ccccc2)c1 ZINC000180719804 1088044574 /nfs/dbraw/zinc/04/45/74/1088044574.db2.gz JRWGDADDOVTGLE-IRLDBZIGSA-N 0 3 362.429 4.050 20 5 FIBDHN CCS[C@H]1CCCC[C@@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000189496159 1088486310 /nfs/dbraw/zinc/48/63/10/1088486310.db2.gz XGIVWKKVJKMGCZ-IRXDYDNUSA-N 0 3 361.467 4.404 20 5 FIBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CCC(c2ncc3n2CCCC3)CC1 ZINC000435054678 1089243746 /nfs/dbraw/zinc/24/37/46/1089243746.db2.gz FAZBZEOHYQBJSN-FNORWQNLSA-N 0 3 366.465 4.020 20 5 FIBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@H](CN1CCCC1)c1ccccc1 ZINC000515072350 1089771859 /nfs/dbraw/zinc/77/18/59/1089771859.db2.gz JFNYBMXVMDLFFB-WOJBJXKFSA-N 0 3 351.450 4.009 20 5 FIBDHN Cn1cc(C(C)(C)NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cn1 ZINC000545996030 1089786290 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XLJOKBXHTOMSKN-MRXNPFEDSA-N 0 3 350.422 4.248 20 5 FIBDHN Cc1ccc(CNCCOc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000513250142 1094029074 /nfs/dbraw/zinc/02/90/74/1094029074.db2.gz GSQMODMQDCQSEZ-UHFFFAOYSA-N 0 3 354.328 4.091 20 5 FIBDHN C[C@H](CNc1ccc([N+](=O)[O-])c2cccnc12)N1CCc2sccc2C1 ZINC000025500280 1094326944 /nfs/dbraw/zinc/32/69/44/1094326944.db2.gz ODMIYKOQASMKFE-CYBMUJFWSA-N 0 3 368.462 4.063 20 5 FIBDHN CCCN(Cc1ccccc1[N+](=O)[O-])[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502938419 1095981221 /nfs/dbraw/zinc/98/12/21/1095981221.db2.gz HQAQPSPWOFFEIT-INIZCTEOSA-N 0 3 355.438 4.224 20 5 FIBDHN CN(Cc1ccc(Br)cc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000425459350 1098713023 /nfs/dbraw/zinc/71/30/23/1098713023.db2.gz PDMZUKKCSRWGNC-UHFFFAOYSA-N 0 3 363.202 4.367 20 5 FIBDHN CCN(CCCO)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000536682286 1100167313 /nfs/dbraw/zinc/16/73/13/1100167313.db2.gz CEXCHTZJUCZERB-UHFFFAOYSA-N 0 3 364.829 4.245 20 5 FIBDHN CC1(C)CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC[C@H]1O 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362.433 4.171 20 5 FIBDHN Cn1cc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c(-c2ccccc2)n1 ZINC000193278152 1120649818 /nfs/dbraw/zinc/64/98/18/1120649818.db2.gz PXUDNODSOGTNGB-HXUWFJFHSA-N 0 3 362.433 4.163 20 5 FIBDHN Cc1cc(F)ccc1-c1ccc(CNCCOc2ccc([N+](=O)[O-])cc2)o1 ZINC001649106934 1121841170 /nfs/dbraw/zinc/84/11/70/1121841170.db2.gz NYBYAVCCKNJJLQ-UHFFFAOYSA-N 0 3 370.380 4.471 20 5 FIBDHN CC(C)n1cc2c(n1)[C@@H](N[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CCC2 ZINC000765812308 1122098436 /nfs/dbraw/zinc/09/84/36/1122098436.db2.gz AHOMLQAFEUTJMZ-OALUTQOASA-N 0 3 368.481 4.361 20 5 FIBDHN C[C@@H](C1CC1)N(Cc1ccccc1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000917436407 1122303397 /nfs/dbraw/zinc/30/33/97/1122303397.db2.gz CHKKEBYDNZVNSQ-HNNXBMFYSA-N 0 3 350.422 4.203 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC(C)(C)c1ccc(C(C)C)cc1 ZINC000609358375 1123689482 /nfs/dbraw/zinc/68/94/82/1123689482.db2.gz FZBCVKPKHRNKNV-UHFFFAOYSA-N 0 3 369.465 4.490 20 5 FIBDHN 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3 370.409 4.138 20 5 FIBDHN C[C@H](Nc1cccc(CN2CCSCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000182804582 1125629736 /nfs/dbraw/zinc/62/97/36/1125629736.db2.gz VHZFQPSFRMOEEI-HNNXBMFYSA-N 0 3 357.479 4.317 20 5 FIBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000255073946 1081097234 /nfs/dbraw/zinc/09/72/34/1081097234.db2.gz HFLNQNALOWIKEZ-YTFAOPSNSA-N 0 3 358.463 4.258 20 5 FIBDHN O=[N+]([O-])c1ccccc1OCCN1CCC(OCC2CCCCC2)CC1 ZINC000610370258 1081553504 /nfs/dbraw/zinc/55/35/04/1081553504.db2.gz WKFSWQUMMLJWOD-UHFFFAOYSA-N 0 3 362.470 4.035 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000050273588 1081987106 /nfs/dbraw/zinc/98/71/06/1081987106.db2.gz QFBGFQCEOQNUSU-IBGZPJMESA-N 0 3 373.840 4.236 20 5 FIBDHN COc1ccccc1[C@@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)OC(C)C ZINC000471594143 1082020968 /nfs/dbraw/zinc/02/09/68/1082020968.db2.gz OFHOKEYISOVMBE-MGPUTAFESA-N 0 3 358.438 4.420 20 5 FIBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000580981306 1082266202 /nfs/dbraw/zinc/26/62/02/1082266202.db2.gz CBHVLDLJBJRNAX-GUYCJALGSA-N 0 3 374.441 4.001 20 5 FIBDHN Cc1c([C@@H](C)N[C@H](C)c2cccc(N3CCOC3=O)c2)cccc1[N+](=O)[O-] ZINC000157014270 1082426756 /nfs/dbraw/zinc/42/67/56/1082426756.db2.gz DNVSZFPAUKDRPM-HUUCEWRRSA-N 0 3 369.421 4.272 20 5 FIBDHN CCC[C@@H](NCc1ccccc1N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000177964271 1082438599 /nfs/dbraw/zinc/43/85/99/1082438599.db2.gz QZBBMALYLYHAQG-HXUWFJFHSA-N 0 3 369.465 4.062 20 5 FIBDHN CC1(C)CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000610505274 1082550011 /nfs/dbraw/zinc/55/00/11/1082550011.db2.gz DYXDLIMFCITRLT-LJQANCHMSA-N 0 3 353.422 4.007 20 5 FIBDHN Cc1ccc(C[C@@H]2CCCN2Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000610581803 1082578207 /nfs/dbraw/zinc/57/82/07/1082578207.db2.gz NVMQDVWGQKQDEZ-INIZCTEOSA-N 0 3 351.406 4.252 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H](n2ncc3ccccc32)C1 ZINC000510473143 1082967141 /nfs/dbraw/zinc/96/71/41/1082967141.db2.gz PSOOYRPPTNTGGI-YJBOKZPZSA-N 0 3 350.422 4.261 20 5 FIBDHN Cc1ccc(Sc2ccc(CN(C)CCCCO)cc2[N+](=O)[O-])cc1 ZINC000471823753 1083066116 /nfs/dbraw/zinc/06/61/16/1083066116.db2.gz ZASYQCWSRKJSAW-UHFFFAOYSA-N 0 3 360.479 4.259 20 5 FIBDHN Cc1c([C@H](C)N[C@H](C)c2ccc(N3CCOC3=O)cc2)cccc1[N+](=O)[O-] ZINC000177754052 1084285786 /nfs/dbraw/zinc/28/57/86/1084285786.db2.gz VLWVXFQKQZRTBJ-CABCVRRESA-N 0 3 369.421 4.272 20 5 FIBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(c2ncc3n2CCCC3)CC1 ZINC000580282899 1084403243 /nfs/dbraw/zinc/40/32/43/1084403243.db2.gz PWMLDYLIQXBXBW-HNNXBMFYSA-N 0 3 354.454 4.068 20 5 FIBDHN CC(=O)c1cc(N[C@@H](C)[C@H](c2ccccc2C)N(C)C)ccc1[N+](=O)[O-] ZINC000582459074 1084695789 /nfs/dbraw/zinc/69/57/89/1084695789.db2.gz WHFCURMRJIGRHD-VBKZILBWSA-N 0 3 355.438 4.209 20 5 FIBDHN COc1cc(C[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1[O-] ZINC000478205096 1084924499 /nfs/dbraw/zinc/92/44/99/1084924499.db2.gz ZTLFCFFWSNKYPD-KRWDZBQOSA-N 0 3 372.396 4.174 20 5 FIBDHN C[C@@H](N[C@H]1c2ccccc2CC12CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000290195762 1085011680 /nfs/dbraw/zinc/01/16/80/1085011680.db2.gz SQMNHSBUYYLSDJ-QRWLVFNGSA-N 0 3 352.434 4.340 20 5 FIBDHN COc1cc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c2ccccc2n1 ZINC000124906157 1085198307 /nfs/dbraw/zinc/19/83/07/1085198307.db2.gz JFCATXIDTSTHJD-AWEZNQCLSA-N 0 3 351.406 4.311 20 5 FIBDHN COc1ccc([C@H](C)N[C@H]2CCc3c2cccc3[N+](=O)[O-])c(C)c1OC ZINC000582974535 1085980263 /nfs/dbraw/zinc/98/02/63/1085980263.db2.gz FAWNLKOVSYIPCI-GUYCJALGSA-N 0 3 356.422 4.259 20 5 FIBDHN C[C@H](N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc([S@@](C)=O)cc1 ZINC000279079913 1086789587 /nfs/dbraw/zinc/78/95/87/1086789587.db2.gz MMBHQYSFKJYZHF-PNRGOVPLSA-N 0 3 372.490 4.405 20 5 FIBDHN CCCC(=O)Nc1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000158892880 1087523944 /nfs/dbraw/zinc/52/39/44/1087523944.db2.gz FRGJVPZZEDBPRT-OAHLLOKOSA-N 0 3 355.438 4.493 20 5 FIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CC34CC4)o2)c(Br)c1 ZINC000424187354 1087830370 /nfs/dbraw/zinc/83/03/70/1087830370.db2.gz VLBOKPXTXQNJMJ-HNNXBMFYSA-N 0 3 363.211 4.259 20 5 FIBDHN C[S@@](=O)Cc1ccc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417332707 1090821884 /nfs/dbraw/zinc/82/18/84/1090821884.db2.gz OLJNIRFNZOITCM-RXFWQSSRSA-N 0 3 372.490 4.031 20 5 FIBDHN CN(C(=O)CN[C@@H](c1ccc(F)cc1)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000053644129 1091282203 /nfs/dbraw/zinc/28/22/03/1091282203.db2.gz POGBBWMEFPNIGG-IBGZPJMESA-N 0 3 373.428 4.074 20 5 FIBDHN Cc1nc2c(n1[C@H]1CCN(Cc3c(Cl)cccc3[N+](=O)[O-])C1)CCCC2 ZINC000432098881 1091656805 /nfs/dbraw/zinc/65/68/05/1091656805.db2.gz OUYHOROXYGSPIO-AWEZNQCLSA-N 0 3 374.872 4.079 20 5 FIBDHN CN(CCSc1ccc([N+](=O)[O-])c2cccnc12)Cc1ccccc1 ZINC000432943957 1092971985 /nfs/dbraw/zinc/97/19/85/1092971985.db2.gz KMVYPJOVLGLGIA-UHFFFAOYSA-N 0 3 353.447 4.367 20 5 FIBDHN CC1(C)C[C@H](NCc2cccc(-n3ccnc3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433127413 1093310560 /nfs/dbraw/zinc/31/05/60/1093310560.db2.gz SMCBVGLZQMDKKP-FQEVSTJZSA-N 0 3 362.433 4.293 20 5 FIBDHN CC1(C)C[C@H](N[C@H](CCCO)c2ccccc2)c2cc([N+](=O)[O-])ccc21 ZINC000433277855 1093519764 /nfs/dbraw/zinc/51/97/64/1093519764.db2.gz BJMQIHGSDPAPEY-UXHICEINSA-N 0 3 354.450 4.421 20 5 FIBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC[C@@H](n3cccn3)C2)s1 ZINC000513123134 1093861379 /nfs/dbraw/zinc/86/13/79/1093861379.db2.gz RVRFOMBACXTDCO-OAHLLOKOSA-N 0 3 368.462 4.357 20 5 FIBDHN CCN(Cc1ccc(C(=O)N(C)C)cc1)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182743778 1094165246 /nfs/dbraw/zinc/16/52/46/1094165246.db2.gz IBAAJLVCJFZQBN-INIZCTEOSA-N 0 3 369.465 4.188 20 5 FIBDHN Cn1cc2c(n1)CCC[C@@H]2NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000509945392 1094714563 /nfs/dbraw/zinc/71/45/63/1094714563.db2.gz SIOHQAOJKGDKII-KRWDZBQOSA-N 0 3 368.462 4.224 20 5 FIBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000127102387 1095926534 /nfs/dbraw/zinc/92/65/34/1095926534.db2.gz GUBLWJRKZHKLRX-UHFFFAOYSA-N 0 3 373.478 4.329 20 5 FIBDHN CC1(C)C[C@H](NCc2ccc3c(c2)CCCN3)c2cc([N+](=O)[O-])ccc21 ZINC000423452009 1096681767 /nfs/dbraw/zinc/68/17/67/1096681767.db2.gz VRGZGDMIQCZASX-FQEVSTJZSA-N 0 3 351.450 4.465 20 5 FIBDHN CCCCCOc1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000425993125 1100632469 /nfs/dbraw/zinc/63/24/69/1100632469.db2.gz ATJJKXDDNLTZPT-UHFFFAOYSA-N 0 3 372.469 4.197 20 5 FIBDHN O=C(CCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccccc1Cl ZINC000130367614 1101936447 /nfs/dbraw/zinc/93/64/47/1101936447.db2.gz LSQLIFXPRMLOQA-UHFFFAOYSA-N 0 3 373.840 4.241 20 5 FIBDHN Cc1c([C@@H](C)N[C@@H](Cc2nccn2C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000610828042 1102299810 /nfs/dbraw/zinc/29/98/10/1102299810.db2.gz HVFSEWCBCGVQBS-APWZRJJASA-N 0 3 364.449 4.271 20 5 FIBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CNC1(c2ccccc2)CCCCC1 ZINC000477637888 1103749294 /nfs/dbraw/zinc/74/92/94/1103749294.db2.gz PKCPXPRWRBVPDR-UHFFFAOYSA-N 0 3 367.449 4.291 20 5 FIBDHN Cc1c(NC(=O)CCN([C@H](C)c2ccco2)C2CC2)cccc1[N+](=O)[O-] ZINC000086235455 1103837430 /nfs/dbraw/zinc/83/74/30/1103837430.db2.gz FOOIESUQTCFVJA-CQSZACIVSA-N 0 3 357.410 4.050 20 5 FIBDHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000538168230 1104005139 /nfs/dbraw/zinc/00/51/39/1104005139.db2.gz RFZPOAKMABMYDF-CQSZACIVSA-N 0 3 370.384 4.074 20 5 FIBDHN O=[N+]([O-])c1cccc(OCCN[C@H](CC(F)(F)F)c2ccccc2)c1 ZINC000538175876 1104009816 /nfs/dbraw/zinc/00/98/16/1104009816.db2.gz GQOTXZWIRCGRJU-MRXNPFEDSA-N 0 3 354.328 4.257 20 5 FIBDHN O=C(CN[C@H](c1cccc(F)c1)C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000538233080 1104062812 /nfs/dbraw/zinc/06/28/12/1104062812.db2.gz JARBYWPTBXIRLB-FQEVSTJZSA-N 0 3 371.412 4.194 20 5 FIBDHN COc1cc(CN(C)[C@@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000520525564 1104975258 /nfs/dbraw/zinc/97/52/58/1104975258.db2.gz QQEGRMZFGAAOPV-DGCLKSJQSA-N 0 3 358.385 4.215 20 5 FIBDHN CN(c1ccccc1)c1ccc(CN2CCC[C@](C)(O)CC2)cc1[N+](=O)[O-] ZINC000475333062 1106736981 /nfs/dbraw/zinc/73/69/81/1106736981.db2.gz RUKLSKQTWNLJMI-NRFANRHFSA-N 0 3 369.465 4.100 20 5 FIBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3CCc4ccccc4C3)cs2)c1 ZINC000524305840 1108958740 /nfs/dbraw/zinc/95/87/40/1108958740.db2.gz VAXRFEURVJCAKR-KRWDZBQOSA-N 0 3 365.458 4.365 20 5 FIBDHN CCCCN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000021819338 1108963057 /nfs/dbraw/zinc/96/30/57/1108963057.db2.gz SXTPIISCSOTGAC-KRWDZBQOSA-N 0 3 361.829 4.318 20 5 FIBDHN CC1(C)CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1c1ccccc1 ZINC000441076140 1109324793 /nfs/dbraw/zinc/32/47/93/1109324793.db2.gz XLIJQQARLAGFHO-MRXNPFEDSA-N 0 3 351.406 4.362 20 5 FIBDHN COc1ccc(CN2CC[C@@H](CSc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000525266901 1109324809 /nfs/dbraw/zinc/32/48/09/1109324809.db2.gz VOZCYENHYOAVNF-MRXNPFEDSA-N 0 3 358.463 4.218 20 5 FIBDHN COc1cc(CN2[C@H](C)C[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000527238464 1109719932 /nfs/dbraw/zinc/71/99/32/1109719932.db2.gz DDXZTCJIRDDZNU-GASCZTMLSA-N 0 3 356.422 4.165 20 5 FIBDHN COc1cc(F)c([C@H](C)N[C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000449142387 1109984280 /nfs/dbraw/zinc/98/42/80/1109984280.db2.gz NZTPDMRLMUOAOL-STQMWFEESA-N 0 3 362.401 4.033 20 5 FIBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCO[C@@H](c3cccs3)C2)c(Cl)c1 ZINC000449627194 1110130651 /nfs/dbraw/zinc/13/06/51/1110130651.db2.gz QHFZSLLKCKYBCL-IUODEOHRSA-N 0 3 352.843 4.320 20 5 FIBDHN Cc1cc([C@H](N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C2CC2)ccc1F ZINC000538321075 1111090043 /nfs/dbraw/zinc/09/00/43/1111090043.db2.gz XWRWPSOPSVOHSB-ORAYPTAESA-N 0 3 371.412 4.110 20 5 FIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CCO[C@@H]3C3CC3)o2)c(Cl)c1 ZINC000538421626 1111127143 /nfs/dbraw/zinc/12/71/43/1111127143.db2.gz PLBHWGCROPECOJ-SJLPKXTDSA-N 0 3 362.813 4.165 20 5 FIBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCNC1(c2ccc(Cl)cc2)CC1 ZINC000553002814 1111878391 /nfs/dbraw/zinc/87/83/91/1111878391.db2.gz KXAUKVLKERWURB-UHFFFAOYSA-N 0 3 373.840 4.164 20 5 FIBDHN CC[C@H](N[C@@H]1CCc2cc(OC)c(OC)cc21)c1cccc([N+](=O)[O-])c1 ZINC000479071341 1111940660 /nfs/dbraw/zinc/94/06/60/1111940660.db2.gz RCXXPPKMRQVDAN-ZWKOTPCHSA-N 0 3 356.422 4.340 20 5 FIBDHN O=[N+]([O-])c1ccc(OC2CCN(Cc3ccc4[nH]ccc4c3)CC2)cc1 ZINC000600123837 1112900412 /nfs/dbraw/zinc/90/04/12/1112900412.db2.gz JLBFDJYVBCUYSN-UHFFFAOYSA-N 0 3 351.406 4.120 20 5 FIBDHN Cc1cccc(CC2(O)CCN([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000482945383 1113405002 /nfs/dbraw/zinc/40/50/02/1113405002.db2.gz IJTGLPQVQVDIBD-SFHVURJKSA-N 0 3 368.477 4.342 20 5 FIBDHN Cc1c([C@@H](C)NC[C@H](c2c(F)cccc2F)N(C)C)cccc1[N+](=O)[O-] ZINC000483144094 1113453169 /nfs/dbraw/zinc/45/31/69/1113453169.db2.gz QYDBZZBWVTZHPC-FZKQIMNGSA-N 0 3 363.408 4.135 20 5 FIBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](C(C)(C)C)C1 ZINC000483240511 1113469557 /nfs/dbraw/zinc/46/95/57/1113469557.db2.gz RIZCLZXBVFSEOJ-DZGCQCFKSA-N 0 3 358.442 4.464 20 5 FIBDHN CCC1CCC(N(CCO)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000488203951 1113878042 /nfs/dbraw/zinc/87/80/42/1113878042.db2.gz QIJXJCFJUARCBJ-UHFFFAOYSA-N 0 3 373.453 4.013 20 5 FIBDHN COc1ccc2c(c1)CCC[C@@H]2N(C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000489092586 1114048874 /nfs/dbraw/zinc/04/88/74/1114048874.db2.gz CEPYUHWNPRZLRL-SFHVURJKSA-N 0 3 356.422 4.121 20 5 FIBDHN Cc1ccc([C@H]2C[C@H](C)N(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)cc1 ZINC000490083929 1114216518 /nfs/dbraw/zinc/21/65/18/1114216518.db2.gz VECSPTUTRZSQDP-RDJZCZTQSA-N 0 3 368.433 4.148 20 5 FIBDHN COCCCOc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000586794677 1114394788 /nfs/dbraw/zinc/39/47/88/1114394788.db2.gz REBSZVWOJRDMBX-INIZCTEOSA-N 0 3 358.438 4.169 20 5 FIBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000590551686 1114945526 /nfs/dbraw/zinc/94/55/26/1114945526.db2.gz ZSIHUGHSPWEKSD-UHFFFAOYSA-N 0 3 353.422 4.060 20 5 FIBDHN C[C@H](N[C@@H](C)c1cccc2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000057555267 1114949156 /nfs/dbraw/zinc/94/91/56/1114949156.db2.gz MSIZYWOFDZZTML-GJZGRUSLSA-N 0 3 363.417 4.426 20 5 FIBDHN C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)[C@@H]2CCCC[C@H]21 ZINC001168400986 1115107567 /nfs/dbraw/zinc/10/75/67/1115107567.db2.gz GMKAWOOGORHIOG-KWCYVHTRSA-N 0 3 353.260 4.368 20 5 FIBDHN CCCCN(Cc1csc([N+](=O)[O-])c1)[C@@H]1CCc2ncsc2C1 ZINC000592187193 1115220452 /nfs/dbraw/zinc/22/04/52/1115220452.db2.gz ICLGUJGVZGOPCY-CYBMUJFWSA-N 0 3 351.497 4.272 20 5 FIBDHN COc1ccc([C@H](OC)[C@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595027826 1115510229 /nfs/dbraw/zinc/51/02/29/1115510229.db2.gz TYYJIVZTAYULAW-PJSUUKDQSA-N 0 3 374.437 4.039 20 5 FIBDHN CN(Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000595431746 1115536102 /nfs/dbraw/zinc/53/61/02/1115536102.db2.gz GYZRKJKGQZNMHA-PKOBYXMFSA-N 0 3 362.376 4.225 20 5 FIBDHN CC[C@H](NCC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1cc(C)ccc1C ZINC000599640607 1115833284 /nfs/dbraw/zinc/83/32/84/1115833284.db2.gz KYXQXRWRWYIFFX-KRWDZBQOSA-N 0 3 355.438 4.199 20 5 FIBDHN COc1ccc([N+](=O)[O-])cc1CN(C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000604520781 1115867327 /nfs/dbraw/zinc/86/73/27/1115867327.db2.gz PTIRUKPDJCIWLV-DYESRHJHSA-N 0 3 370.449 4.203 20 5 FIBDHN CC[C@@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1F ZINC000594019586 1115962250 /nfs/dbraw/zinc/96/22/50/1115962250.db2.gz OCNBDHWTICBOTH-QGZVFWFLSA-N 0 3 359.401 4.112 20 5 FIBDHN Cc1cc(CN(C)C)cc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000533972485 1116098000 /nfs/dbraw/zinc/09/80/00/1116098000.db2.gz GAMXTDCGHLAYRH-AWEZNQCLSA-N 0 3 373.478 4.084 20 5 FIBDHN O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@@H]3Cc3ccccc3)co2)cc1 ZINC000534079383 1116156750 /nfs/dbraw/zinc/15/67/50/1116156750.db2.gz GFQLDLKGXUYQEJ-HXUWFJFHSA-N 0 3 363.417 4.457 20 5 FIBDHN CCN1CCN(c2ccc(N[C@@H](C)c3cccc([N+](=O)[O-])c3)c(C)c2)CC1 ZINC000539610120 1116352229 /nfs/dbraw/zinc/35/22/29/1116352229.db2.gz QLPMOUKQLCYGIH-KRWDZBQOSA-N 0 3 368.481 4.218 20 5 FIBDHN CN(Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C[C@H]1CCC[C@H]1O ZINC000539912642 1117749886 /nfs/dbraw/zinc/74/98/86/1117749886.db2.gz FFFUGWPMAHLDCP-DNVCBOLYSA-N 0 3 374.412 4.119 20 5 FIBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](C)c1ccc(F)cc1F ZINC000462755993 1117756455 /nfs/dbraw/zinc/75/64/55/1117756455.db2.gz NJTXPSPIXGGAJD-LBPRGKRZSA-N 0 3 350.365 4.165 20 5 FIBDHN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1sccc1Br ZINC000540173343 1117914764 /nfs/dbraw/zinc/91/47/64/1117914764.db2.gz CYCACGQYWNFPAX-JTQLQIEISA-N 0 3 371.256 4.148 20 5 FIBDHN CC[C@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(C)cc1 ZINC000540354585 1117999412 /nfs/dbraw/zinc/99/94/12/1117999412.db2.gz OFOAPPRGGYIPMP-WBVHZDCISA-N 0 3 355.438 4.280 20 5 FIBDHN O=[N+]([O-])c1ccccc1OCCN[C@@H](CC(F)(F)F)c1ccccc1 ZINC000540380514 1118032630 /nfs/dbraw/zinc/03/26/30/1118032630.db2.gz NZPFNUSAJQDURH-AWEZNQCLSA-N 0 3 354.328 4.257 20 5 FIBDHN O=[N+]([O-])c1cccc(-c2noc(CN[C@H]3CCCCC34CCCC4)n2)c1 ZINC000463452975 1118162232 /nfs/dbraw/zinc/16/22/32/1118162232.db2.gz SUDXBTFEAIJVGE-INIZCTEOSA-N 0 3 356.426 4.237 20 5 FIBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000541566267 1118557315 /nfs/dbraw/zinc/55/73/15/1118557315.db2.gz JITJHYFZAPSJEH-STQMWFEESA-N 0 3 371.462 4.495 20 5 FIBDHN COCCOc1ccc([C@@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000090217473 1118712147 /nfs/dbraw/zinc/71/21/47/1118712147.db2.gz MQKAFGZJLIHZDV-CVEARBPZSA-N 0 3 358.438 4.340 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000464858893 1118726640 /nfs/dbraw/zinc/72/66/40/1118726640.db2.gz XEMYLJGEDXUHOU-KBXCAEBGSA-N 0 3 371.437 4.298 20 5 FIBDHN CCOc1cc(CN2CC[C@H](COCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000492766554 1119183073 /nfs/dbraw/zinc/18/30/73/1119183073.db2.gz FZGAEDHPUBRCEN-IBGZPJMESA-N 0 3 370.449 4.032 20 5 FIBDHN CCOc1cc(CN2CC[C@@H](COCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000492766559 1119183125 /nfs/dbraw/zinc/18/31/25/1119183125.db2.gz FZGAEDHPUBRCEN-LJQANCHMSA-N 0 3 370.449 4.032 20 5 FIBDHN Cc1nc(CCN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c(C)o1 ZINC000493227563 1119353724 /nfs/dbraw/zinc/35/37/24/1119353724.db2.gz KHQBFKSFEMXCRM-HXUWFJFHSA-N 0 3 351.406 4.121 20 5 FIBDHN O=[N+]([O-])c1cccc([C@H](NCCCc2nccs2)c2ccccc2)c1 ZINC000494027178 1119526914 /nfs/dbraw/zinc/52/69/14/1119526914.db2.gz GMFSZJFRBXGIKU-LJQANCHMSA-N 0 3 353.447 4.363 20 5 FIBDHN Cc1c(CN[C@H](C[C@H]2CCOC2)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000494980284 1120407925 /nfs/dbraw/zinc/40/79/25/1120407925.db2.gz PKYHVNULWKLPOI-DNVCBOLYSA-N 0 3 358.413 4.300 20 5 FIBDHN O=[N+]([O-])c1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)CC2CCC2)cc1 ZINC000915260079 1120903032 /nfs/dbraw/zinc/90/30/32/1120903032.db2.gz DCOBECYEWSFWGS-UHFFFAOYSA-N 0 3 355.394 4.305 20 5 FIBDHN O=[N+]([O-])c1ccc(CCCCN[C@@H](c2ccccc2)c2cncnc2)cc1 ZINC000542667132 1121166357 /nfs/dbraw/zinc/16/63/57/1121166357.db2.gz XJQUOUXTFSPILF-NRFANRHFSA-N 0 3 362.433 4.087 20 5 FIBDHN CCOc1ccc([C@@H](C)NCc2cccc3cccnc32)cc1[N+](=O)[O-] ZINC000153377884 1121299850 /nfs/dbraw/zinc/29/98/50/1121299850.db2.gz TUJWJGUDHAHFQC-CQSZACIVSA-N 0 3 351.406 4.393 20 5 FIBDHN CCOc1ccc([C@H](C)NCc2cccc3cccnc32)cc1[N+](=O)[O-] ZINC000153377986 1121300066 /nfs/dbraw/zinc/30/00/66/1121300066.db2.gz TUJWJGUDHAHFQC-AWEZNQCLSA-N 0 3 351.406 4.393 20 5 FIBDHN CCC(=O)c1ccc(NC[C@H](N[C@H](C)CC)c2ccco2)c([N+](=O)[O-])c1 ZINC000553601131 1122158305 /nfs/dbraw/zinc/15/83/05/1122158305.db2.gz IYESXCLTUHGCJJ-CJNGLKHVSA-N 0 3 359.426 4.322 20 5 FIBDHN CCC(=O)c1ccc(NC[C@H](N[C@@H](C)CC)c2ccco2)c([N+](=O)[O-])c1 ZINC000553601130 1122159671 /nfs/dbraw/zinc/15/96/71/1122159671.db2.gz IYESXCLTUHGCJJ-BBRMVZONSA-N 0 3 359.426 4.322 20 5 FIBDHN CC[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H](O)C(F)(F)F ZINC000498380727 1122761636 /nfs/dbraw/zinc/76/16/36/1122761636.db2.gz NDGPOPCWGKYLFK-UKRRQHHQSA-N 0 3 374.384 4.115 20 5 FIBDHN CC(C)c1ccc(C(C)(C)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000609358724 1123689632 /nfs/dbraw/zinc/68/96/32/1123689632.db2.gz VKSZYXXEJXSTIA-UHFFFAOYSA-N 0 3 369.465 4.206 20 5 FIBDHN O=[N+]([O-])c1ccc(OCCCN2CCS[C@@H](c3ccccc3)C2)cc1 ZINC000609800966 1123839860 /nfs/dbraw/zinc/83/98/60/1123839860.db2.gz YCNJHRSWIWOITO-LJQANCHMSA-N 0 3 358.463 4.154 20 5 FIBDHN Cc1cc(NC[C@H](CCO)c2ccccc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000181506250 1124987057 /nfs/dbraw/zinc/98/70/57/1124987057.db2.gz SEYAVNVLFQNTNC-INIZCTEOSA-N 0 3 351.406 4.030 20 5 FIBDHN O=[N+]([O-])c1cccc(-c2nc(CNCCc3cccc(F)c3)cs2)c1 ZINC000113315500 1125149471 /nfs/dbraw/zinc/14/94/71/1125149471.db2.gz XJRGJCGYZWNWAY-UHFFFAOYSA-N 0 3 357.410 4.190 20 5 FIBDHN O=[N+]([O-])c1cccc(-c2nc(CNCCCOC3CCCC3)cs2)c1 ZINC000113331080 1125151881 /nfs/dbraw/zinc/15/18/81/1125151881.db2.gz YJNBQZPLGJIJKD-UHFFFAOYSA-N 0 3 361.467 4.157 20 5 FIBDHN Cc1c(NC(=O)CCN2CCC[C@H]2c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000067962385 221309724 /nfs/dbraw/zinc/30/97/24/221309724.db2.gz XTTAMLXZNGPOCJ-IBGZPJMESA-N 0 3 371.412 4.208 20 5 FIBDHN C[C@@H](NCCc1cnc(SC2CCCC2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000568131661 567911681 /nfs/dbraw/zinc/91/16/81/567911681.db2.gz MWBMHWJQLBGDIV-CQSZACIVSA-N 0 3 372.494 4.313 20 5 FIBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000482071875 568253846 /nfs/dbraw/zinc/25/38/46/568253846.db2.gz HKRYCWBKFVWWPM-DNVCBOLYSA-N 0 3 370.453 4.025 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186942998 1079747317 /nfs/dbraw/zinc/74/73/17/1079747317.db2.gz ZNDPMNJTCFEESC-MRXNPFEDSA-N 0 3 372.440 4.173 20 5 FIBDHN COc1cc(CN2CCC[C@H]2CCc2ccccc2)c([N+](=O)[O-])cc1F ZINC001167069509 1079984298 /nfs/dbraw/zinc/98/42/98/1079984298.db2.gz CARWAXIOTXOCTH-KRWDZBQOSA-N 0 3 358.413 4.340 20 5 FIBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000109765396 1081180865 /nfs/dbraw/zinc/18/08/65/1081180865.db2.gz AINIYWGKLTVXSG-AWEZNQCLSA-N 0 3 350.422 4.412 20 5 FIBDHN Cc1ccc(CN(C)C)cc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000177353474 1081211409 /nfs/dbraw/zinc/21/14/09/1081211409.db2.gz NTGISUKTWKTYRZ-AWEZNQCLSA-N 0 3 373.478 4.084 20 5 FIBDHN CC(C)[C@H]1CCCCN1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001167406751 1081963517 /nfs/dbraw/zinc/96/35/17/1081963517.db2.gz VLKYRXGSBGYNCV-CQSZACIVSA-N 0 3 364.833 4.309 20 5 FIBDHN CCC[C@H](NCc1ccccc1Cn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000119265670 1082072947 /nfs/dbraw/zinc/07/29/47/1082072947.db2.gz QAFNJDAPUBOYMQ-NRFANRHFSA-N 0 3 364.449 4.471 20 5 FIBDHN Cc1ccc([C@H](C)N[C@H](C)c2ccc(N3CCOC3=O)cc2)cc1[N+](=O)[O-] ZINC000157125251 1082487615 /nfs/dbraw/zinc/48/76/15/1082487615.db2.gz FCBCDXFWRGHQBL-CABCVRRESA-N 0 3 369.421 4.272 20 5 FIBDHN CC(C)C[C@H]1CCCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000119362310 1082600030 /nfs/dbraw/zinc/60/00/30/1082600030.db2.gz CIBVFPHXWYPYTA-LSDHHAIUSA-N 0 3 358.442 4.464 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@H](n2ncc3ccccc32)C1 ZINC000510473140 1082966484 /nfs/dbraw/zinc/96/64/84/1082966484.db2.gz PSOOYRPPTNTGGI-CRAIPNDOSA-N 0 3 350.422 4.261 20 5 FIBDHN CC(C)(NCc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000175986683 1083042759 /nfs/dbraw/zinc/04/27/59/1083042759.db2.gz MMTJDJHLQMCEIG-FQEVSTJZSA-N 0 3 370.449 4.178 20 5 FIBDHN O=[N+]([O-])c1ccc2oc(CN3CCCC[C@H]3Cc3ccccc3)nc2c1 ZINC000610581514 1083207163 /nfs/dbraw/zinc/20/71/63/1083207163.db2.gz OQXOCCXVUMVIKE-INIZCTEOSA-N 0 3 351.406 4.333 20 5 FIBDHN Cc1ccc(C[C@H]2CCCN2Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000610581804 1083214259 /nfs/dbraw/zinc/21/42/59/1083214259.db2.gz NVMQDVWGQKQDEZ-MRXNPFEDSA-N 0 3 351.406 4.252 20 5 FIBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCS[C@H]4CCCC[C@H]43)o2)c1 ZINC000610619586 1083265476 /nfs/dbraw/zinc/26/54/76/1083265476.db2.gz HHJYRIRJLXNVRP-AEFFLSMTSA-N 0 3 373.478 4.152 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](Cc1nccn1C)c1ccccc1 ZINC000610828109 1083744744 /nfs/dbraw/zinc/74/47/44/1083744744.db2.gz KNLDZYKFAZPAGN-UZLBHIALSA-N 0 3 364.449 4.271 20 5 FIBDHN Cc1c([C@@H](C)N[C@H](Cc2nccn2C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000610828045 1083744885 /nfs/dbraw/zinc/74/48/85/1083744885.db2.gz HVFSEWCBCGVQBS-VQIMIIECSA-N 0 3 364.449 4.271 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](Cc1nccn1C)c1ccccc1 ZINC000610828107 1083744972 /nfs/dbraw/zinc/74/49/72/1083744972.db2.gz KNLDZYKFAZPAGN-OXJNMPFZSA-N 0 3 364.449 4.271 20 5 FIBDHN CC[C@H](N[C@@H](Cc1nccn1C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000610828237 1083745759 /nfs/dbraw/zinc/74/57/59/1083745759.db2.gz PLBITZWCAYJNTK-PMACEKPBSA-N 0 3 364.449 4.353 20 5 FIBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1ccc(C)nc1N1CCCC1 ZINC000615727455 1083845985 /nfs/dbraw/zinc/84/59/85/1083845985.db2.gz XGMRCNWUEQUZOO-VBKFSLOCSA-N 0 3 366.465 4.092 20 5 FIBDHN Cc1cc([C@@H](N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C2CC2)ccc1F ZINC000538321077 1084059717 /nfs/dbraw/zinc/05/97/17/1084059717.db2.gz XWRWPSOPSVOHSB-YJYMSZOUSA-N 0 3 371.412 4.110 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000157012569 1084293392 /nfs/dbraw/zinc/29/33/92/1084293392.db2.gz QIMONNMWIHAENL-GJZGRUSLSA-N 0 3 369.421 4.272 20 5 FIBDHN CC[C@@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000177846592 1084375141 /nfs/dbraw/zinc/37/51/41/1084375141.db2.gz CKIMNRQTZYHVTK-HXUWFJFHSA-N 0 3 367.449 4.072 20 5 FIBDHN C[C@@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000580784237 1084471200 /nfs/dbraw/zinc/47/12/00/1084471200.db2.gz RNWJFVAUZPCMEI-ACJLOTCBSA-N 0 3 366.396 4.258 20 5 FIBDHN CCOc1ccc([C@@H](C)N[C@H]2CCc3c2cccc3[N+](=O)[O-])cc1OC ZINC000581677007 1084583713 /nfs/dbraw/zinc/58/37/13/1084583713.db2.gz NLFXMWZHGWTHQZ-DYVFJYSZSA-N 0 3 356.422 4.340 20 5 FIBDHN COc1cc(C[NH2+]CCCCc2ccc(Cl)s2)c([N+](=O)[O-])cc1[O-] ZINC000551235512 1084585168 /nfs/dbraw/zinc/58/51/68/1084585168.db2.gz SXLVVAYEEBPTDU-UHFFFAOYSA-N 0 3 370.858 4.136 20 5 FIBDHN CC(=O)c1cc(N[C@H](C)[C@H](c2ccccc2C)N(C)C)ccc1[N+](=O)[O-] ZINC000582459073 1084695685 /nfs/dbraw/zinc/69/56/85/1084695685.db2.gz WHFCURMRJIGRHD-JLTOFOAXSA-N 0 3 355.438 4.209 20 5 FIBDHN CC(C)C1CCC(N2CCN(Cc3cc(F)ccc3[N+](=O)[O-])CC2)CC1 ZINC001167593577 1085309809 /nfs/dbraw/zinc/30/98/09/1085309809.db2.gz CBQCIZDUAQBEII-UHFFFAOYSA-N 0 3 363.477 4.066 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000024673536 1085691528 /nfs/dbraw/zinc/69/15/28/1085691528.db2.gz ZJPMORFAJGUCGU-INIZCTEOSA-N 0 3 367.449 4.142 20 5 FIBDHN C[C@@H](CNc1ccnc2c1cccc2[N+](=O)[O-])N1CCc2sccc2C1 ZINC000432314461 1086504459 /nfs/dbraw/zinc/50/44/59/1086504459.db2.gz QQEFPHKATBKJAU-ZDUSSCGKSA-N 0 3 368.462 4.063 20 5 FIBDHN Cc1ccc([C@@H](C)N[C@@H](CN2CCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000480282596 1087331277 /nfs/dbraw/zinc/33/12/77/1087331277.db2.gz XLMXYIKAELHJDX-XLIONFOSSA-N 0 3 353.466 4.391 20 5 FIBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCc3ccccc3CO)s2)cc1 ZINC000102424328 1087697805 /nfs/dbraw/zinc/69/78/05/1087697805.db2.gz VNYBFBHNZKFZST-UHFFFAOYSA-N 0 3 354.431 4.105 20 5 FIBDHN C[C@@H](N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](C)c1ccccc1 ZINC000181529874 1088923410 /nfs/dbraw/zinc/92/34/10/1088923410.db2.gz UXLQUZYWNYJVDB-KFWWJZLASA-N 0 3 366.421 4.488 20 5 FIBDHN CCOc1cccc(NC2CCN([C@@H](C)c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000425245534 1089134904 /nfs/dbraw/zinc/13/49/04/1089134904.db2.gz WQIWTKZSKKLWGQ-HNNXBMFYSA-N 0 3 370.453 4.026 20 5 FIBDHN CC(C)CC[C@@H]1CCCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000472834887 1089699187 /nfs/dbraw/zinc/69/91/87/1089699187.db2.gz QFMNBKMGBREDFF-INIZCTEOSA-N 0 3 358.442 4.436 20 5 FIBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H](CN1CCCC1)c1ccccc1 ZINC000515072348 1089772655 /nfs/dbraw/zinc/77/26/55/1089772655.db2.gz JFNYBMXVMDLFFB-VQTJNVASSA-N 0 3 351.450 4.009 20 5 FIBDHN CC[C@@H](C)[C@H](O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000236869332 1090942589 /nfs/dbraw/zinc/94/25/89/1090942589.db2.gz ZEFDLPJICOYJLP-BDJLRTHQSA-N 0 3 352.818 4.005 20 5 FIBDHN Cc1nc2c(n1[C@@H]1CCN(Cc3c(Cl)cccc3[N+](=O)[O-])C1)CCCC2 ZINC000432098883 1091657960 /nfs/dbraw/zinc/65/79/60/1091657960.db2.gz OUYHOROXYGSPIO-CQSZACIVSA-N 0 3 374.872 4.079 20 5 FIBDHN CCOc1ccc(CN(Cc2ccc(OC)c([N+](=O)[O-])c2)C(C)C)cc1 ZINC000521196470 1092573563 /nfs/dbraw/zinc/57/35/63/1092573563.db2.gz ITDMPIBGDUWOOI-UHFFFAOYSA-N 0 3 358.438 4.413 20 5 FIBDHN CCC[C@@H](O)CNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000236929184 1092741656 /nfs/dbraw/zinc/74/16/56/1092741656.db2.gz CSXXXEPDWHBEEL-CQSZACIVSA-N 0 3 364.829 4.291 20 5 FIBDHN CN(C)Cc1cc(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)ccc1F ZINC000433118197 1093277089 /nfs/dbraw/zinc/27/70/89/1093277089.db2.gz RETGRCWXTDTVQJ-FQEVSTJZSA-N 0 3 371.456 4.308 20 5 FIBDHN C[C@@H](N[C@@H](C)c1ccc(C2CC2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000419344867 1093711357 /nfs/dbraw/zinc/71/13/57/1093711357.db2.gz SKRBNRLOIMGUSO-UONOGXRCSA-N 0 3 353.422 4.150 20 5 FIBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000474439431 1093786137 /nfs/dbraw/zinc/78/61/37/1093786137.db2.gz NBKUZDOSYPPKOJ-KXBFYZLASA-N 0 3 370.453 4.025 20 5 FIBDHN CC(=O)c1ccc(NC2CCN(Cc3ccccc3C)CC2)c([N+](=O)[O-])c1 ZINC000052406883 1093804015 /nfs/dbraw/zinc/80/40/15/1093804015.db2.gz NHUZPPQMOMDLFG-UHFFFAOYSA-N 0 3 367.449 4.182 20 5 FIBDHN CN(CCc1ccc([N+](=O)[O-])cc1)Cc1cc(Br)cs1 ZINC000404175075 1093899008 /nfs/dbraw/zinc/89/90/08/1093899008.db2.gz HHPRNBABFARAPQ-UHFFFAOYSA-N 0 3 355.257 4.093 20 5 FIBDHN CCN(Cc1ccc(C(=O)N(C)C)cc1)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182743795 1094165015 /nfs/dbraw/zinc/16/50/15/1094165015.db2.gz IBAAJLVCJFZQBN-MRXNPFEDSA-N 0 3 369.465 4.188 20 5 FIBDHN Cc1ccc(CNCc2cc3cc(Br)ccc3[nH]2)cc1[N+](=O)[O-] ZINC000183822913 1096219543 /nfs/dbraw/zinc/21/95/43/1096219543.db2.gz OITZTOPNDOEGLG-UHFFFAOYSA-N 0 3 374.238 4.437 20 5 FIBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](c1ccccc1)C1CCCC1 ZINC000533521168 1099140386 /nfs/dbraw/zinc/14/03/86/1099140386.db2.gz AILVQOOLTAKGNV-NRFANRHFSA-N 0 3 367.449 4.363 20 5 FIBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC2(CC1)OCCc1ccccc12 ZINC000459508133 1100264008 /nfs/dbraw/zinc/26/40/08/1100264008.db2.gz AVLHLTFYJSDSIR-INIZCTEOSA-N 0 3 352.434 4.220 20 5 FIBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2ccc(C3CC3)cc2F)n1 ZINC000425957369 1100493674 /nfs/dbraw/zinc/49/36/74/1100493674.db2.gz BHHUSOOHWSTZRN-ZWKOTPCHSA-N 0 3 358.417 4.081 20 5 FIBDHN O=[N+]([O-])c1cccc([C@@H](NCCc2ccc3c[nH]nc3c2)c2ccccc2)c1 ZINC000585765433 1101343442 /nfs/dbraw/zinc/34/34/42/1101343442.db2.gz DYVVDWXSXBXGRX-QFIPXVFZSA-N 0 3 372.428 4.393 20 5 FIBDHN Cc1ccc([C@H](C)NC[C@@H](O)COc2ccccc2C(C)C)cc1[N+](=O)[O-] ZINC000537179226 1101522677 /nfs/dbraw/zinc/52/26/77/1101522677.db2.gz YOBKWIDUTNVIAD-FUHWJXTLSA-N 0 3 372.465 4.117 20 5 FIBDHN Cc1c(NC(=O)CCN(C)Cc2ccc(Cl)s2)cccc1[N+](=O)[O-] ZINC000026250796 1102303279 /nfs/dbraw/zinc/30/32/79/1102303279.db2.gz QJFJARAONIBDHF-UHFFFAOYSA-N 0 3 367.858 4.079 20 5 FIBDHN C[C@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)OCCO2 ZINC000192606883 1102644826 /nfs/dbraw/zinc/64/48/26/1102644826.db2.gz AYEAUJRHQMPRTH-SCLBCKFNSA-N 0 3 354.406 4.094 20 5 FIBDHN Cn1ncc2c1CCC[C@@H]2NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000237814467 1102944917 /nfs/dbraw/zinc/94/49/17/1102944917.db2.gz ULLGVSUGSZFTFT-INIZCTEOSA-N 0 3 368.462 4.224 20 5 FIBDHN Cc1ccc([C@H](C)NCc2cccc(OCC(F)F)c2)cc1[N+](=O)[O-] ZINC000089543206 1102979334 /nfs/dbraw/zinc/97/93/34/1102979334.db2.gz QTQRSTOZYSRJJC-ZDUSSCGKSA-N 0 3 350.365 4.398 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000507009861 1103032975 /nfs/dbraw/zinc/03/29/75/1103032975.db2.gz YWOVQLSADLKRFP-LJQANCHMSA-N 0 3 373.428 4.358 20 5 FIBDHN Cc1ccc(-c2n[nH]cc2CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)o1 ZINC000507151361 1103169195 /nfs/dbraw/zinc/16/91/95/1103169195.db2.gz DVSWOKNXQQCOFL-UHFFFAOYSA-N 0 3 354.410 4.297 20 5 FIBDHN CCCN(CCc1cccs1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000184512477 1104502968 /nfs/dbraw/zinc/50/29/68/1104502968.db2.gz JFYVZZJRNBLFFC-UHFFFAOYSA-N 0 3 372.450 4.161 20 5 FIBDHN C[C@H](N[C@@H](C)c1cccc2ccccc21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000057555210 1104931430 /nfs/dbraw/zinc/93/14/30/1104931430.db2.gz KAOXWIWKBMVVBN-GJZGRUSLSA-N 0 3 363.417 4.426 20 5 FIBDHN COc1cc(CN(C)[C@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000520525566 1104975387 /nfs/dbraw/zinc/97/53/87/1104975387.db2.gz QQEGRMZFGAAOPV-YPMHNXCESA-N 0 3 358.385 4.215 20 5 FIBDHN COc1cc(C[NH2+]CC(C)(C)c2cccc(Cl)c2)c([N+](=O)[O-])cc1[O-] ZINC000507923562 1105272969 /nfs/dbraw/zinc/27/29/69/1105272969.db2.gz NJQDRLIDXKRJJM-UHFFFAOYSA-N 0 3 364.829 4.030 20 5 FIBDHN COc1ccc(CNC[C@@H](c2ccccc2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000186433739 1107032940 /nfs/dbraw/zinc/03/29/40/1107032940.db2.gz XNRNCOKHTJSDKR-AWEZNQCLSA-N 0 3 354.328 4.039 20 5 FIBDHN O=[N+]([O-])c1ccc(OCCNCc2ccc(-c3ccc(F)cc3)o2)cc1 ZINC000520246988 1108193154 /nfs/dbraw/zinc/19/31/54/1108193154.db2.gz MVYVHCFLLVGMMT-UHFFFAOYSA-N 0 3 356.353 4.163 20 5 FIBDHN CCC[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(OCCOC(C)C)CC1 ZINC000453358991 1108464674 /nfs/dbraw/zinc/46/46/74/1108464674.db2.gz MIBQXAXUSLNCLH-HXUWFJFHSA-N 0 3 364.486 4.342 20 5 FIBDHN CC[C@H](N[C@@H]1C[C@H](OC(C)(C)C)[C@@H]1n1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000453383282 1108467533 /nfs/dbraw/zinc/46/75/33/1108467533.db2.gz SJDBAHSLBNOEDD-ZSYWTGECSA-N 0 3 372.469 4.029 20 5 FIBDHN CC[C@@H](Cc1ccccc1)N(C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000525127904 1109272589 /nfs/dbraw/zinc/27/25/89/1109272589.db2.gz RXRLHLQKGSRAIW-KRWDZBQOSA-N 0 3 366.421 4.098 20 5 FIBDHN COc1ccc(OCCN(C)Cc2csc3ccccc23)c([N+](=O)[O-])c1 ZINC000441178450 1109410316 /nfs/dbraw/zinc/41/03/16/1109410316.db2.gz SQPZWIGPOHYQHH-UHFFFAOYSA-N 0 3 372.446 4.329 20 5 FIBDHN C[C@@H](C1CCCCC1)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000447399506 1109534086 /nfs/dbraw/zinc/53/40/86/1109534086.db2.gz WOCUOUNHEBEMTD-LBPRGKRZSA-N 0 3 353.850 4.087 20 5 FIBDHN CCOc1ccc([C@H](C)NC[C@H](OCC)c2ccccc2)cc1[N+](=O)[O-] ZINC000447570107 1109577561 /nfs/dbraw/zinc/57/75/61/1109577561.db2.gz FMDJNKWYRYNMQJ-YWZLYKJASA-N 0 3 358.438 4.422 20 5 FIBDHN C[C@@H](N[C@@H](C)Cc1ccccc1[N+](=O)[O-])c1nc(-c2ccncc2)cs1 ZINC000449227995 1110002834 /nfs/dbraw/zinc/00/28/34/1110002834.db2.gz XDIYKNGQMHZYCF-UONOGXRCSA-N 0 3 368.462 4.395 20 5 FIBDHN O=[N+]([O-])c1cc(CNCC2=CCOCC2)ccc1Oc1ccccc1Cl ZINC000449405085 1110060229 /nfs/dbraw/zinc/06/02/29/1110060229.db2.gz XARZNCJPRONFKI-UHFFFAOYSA-N 0 3 374.824 4.477 20 5 FIBDHN O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H]3CCOC4(CCC4)C3)cs2)c1 ZINC000449476485 1110084378 /nfs/dbraw/zinc/08/43/78/1110084378.db2.gz NDYNXXHXBIQFHD-CQSZACIVSA-N 0 3 373.478 4.157 20 5 FIBDHN Cc1cc(NC[C@H](c2ccsc2)N(C)C)c2cccc([N+](=O)[O-])c2n1 ZINC000538448151 1111145499 /nfs/dbraw/zinc/14/54/99/1111145499.db2.gz KURRLKANXIGLKP-QGZVFWFLSA-N 0 3 356.451 4.228 20 5 FIBDHN COc1ccc(CN2CCC23CCC3)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538738498 1111271499 /nfs/dbraw/zinc/27/14/99/1111271499.db2.gz YYXMVZPAXOUEAS-UHFFFAOYSA-N 0 3 368.433 4.311 20 5 FIBDHN C[C@H](NCCOc1ncc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000539060893 1111406530 /nfs/dbraw/zinc/40/65/30/1111406530.db2.gz JVFCWKIXLAVPAX-JTQLQIEISA-N 0 3 356.209 4.026 20 5 FIBDHN CCc1nc2c(s1)[C@H](N(C)CCOc1ccccc1[N+](=O)[O-])CCC2 ZINC000478057340 1111660211 /nfs/dbraw/zinc/66/02/11/1111660211.db2.gz IRTXBCLZUQFFTI-OAHLLOKOSA-N 0 3 361.467 4.002 20 5 FIBDHN C[C@@H](c1cccc(C(F)(F)F)c1)N(CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000478433943 1111775976 /nfs/dbraw/zinc/77/59/76/1111775976.db2.gz WVIHHYFWKZMRIK-LBPRGKRZSA-N 0 3 368.359 4.036 20 5 FIBDHN Cc1ccc(NC2CC(N3CCC(C(F)(F)F)CC3)C2)c([N+](=O)[O-])c1 ZINC000480561150 1112479557 /nfs/dbraw/zinc/47/95/57/1112479557.db2.gz HERUSLTVALNVSN-UHFFFAOYSA-N 0 3 357.376 4.120 20 5 FIBDHN CC(C)(C)c1csc(CN[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000482555182 1113294500 /nfs/dbraw/zinc/29/45/00/1113294500.db2.gz HGFUSAFTMIBXIC-OAHLLOKOSA-N 0 3 359.495 4.460 20 5 FIBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCc3nccs3)o2)c(Cl)c1 ZINC000171052051 1113306835 /nfs/dbraw/zinc/30/68/35/1113306835.db2.gz PUDIMTCVVQNYCU-UHFFFAOYSA-N 0 3 363.826 4.297 20 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1115451398 /nfs/dbraw/zinc/45/13/98/1115451398.db2.gz JQBCDLJQOBYYDC-LJQANCHMSA-N 0 3 362.433 4.174 20 5 FIBDHN CN(Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000595298052 1115521952 /nfs/dbraw/zinc/52/19/52/1115521952.db2.gz NTSLCQPKSSNVJN-PXNSSMCTSA-N 0 3 358.413 4.334 20 5 FIBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCCC4(CCCC4)CC3)o2)cc1 ZINC000595641348 1115554384 /nfs/dbraw/zinc/55/43/84/1115554384.db2.gz JLUXLDYPZXJFSN-UHFFFAOYSA-N 0 3 356.426 4.191 20 5 FIBDHN CC[C@@H](NCc1cccc([N+](=O)[O-])c1C)c1cc(OC)c(OC)c(OC)c1 ZINC000593726107 1115806091 /nfs/dbraw/zinc/80/60/91/1115806091.db2.gz MDCRFRZESJGBOG-MRXNPFEDSA-N 0 3 374.437 4.170 20 5 FIBDHN C[C@@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H]2CCCC[C@@H]12 ZINC000603846948 1115821051 /nfs/dbraw/zinc/82/10/51/1115821051.db2.gz IEGGASJHZOSEGZ-XOKHGSTOSA-N 0 3 356.426 4.045 20 5 FIBDHN C[C@H](NC[C@H](O)c1c(Cl)cccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000173438829 1116067264 /nfs/dbraw/zinc/06/72/64/1116067264.db2.gz 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20 5 FIBDHN COCCCCN(C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000418142953 1091081296 /nfs/dbraw/zinc/08/12/96/1091081296.db2.gz YUWZYOFOJWZYLY-UHFFFAOYSA-N 0 3 362.401 4.385 20 5 FIBDHN CCOc1cc(CNC(C)(C)COCc2ccccc2)ccc1[N+](=O)[O-] ZINC000500824605 1092606818 /nfs/dbraw/zinc/60/68/18/1092606818.db2.gz XOZBEIBAJFXCGO-UHFFFAOYSA-N 0 3 358.438 4.079 20 5 FIBDHN CN(C)[C@@H]1CCOc2c(Nc3ccc([N+](=O)[O-])c4cnccc34)cccc21 ZINC000432940317 1092974870 /nfs/dbraw/zinc/97/48/70/1092974870.db2.gz UQTWOWOGSLZILN-GOSISDBHSA-N 0 3 364.405 4.272 20 5 FIBDHN CC(C)(CNCc1cc([N+](=O)[O-])ccc1OC(F)F)Oc1ccccc1 ZINC000522282681 1093276120 /nfs/dbraw/zinc/27/61/20/1093276120.db2.gz AAIWVDJBHAZDMK-UHFFFAOYSA-N 0 3 366.364 4.143 20 5 FIBDHN COCCOc1ccc(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433151209 1093343590 /nfs/dbraw/zinc/34/35/90/1093343590.db2.gz NIGXDECLXBKNMY-FQEVSTJZSA-N 0 3 370.449 4.132 20 5 FIBDHN CSCCCCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000185159870 1093571627 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O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccnc(N3CCCCC3)c1)CCC2 ZINC000192689316 1103046552 /nfs/dbraw/zinc/04/65/52/1103046552.db2.gz ILHUYDUVWYZKSH-HXUWFJFHSA-N 0 3 366.465 4.147 20 5 FIBDHN COCCN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1CC1 ZINC000507170155 1103186985 /nfs/dbraw/zinc/18/69/85/1103186985.db2.gz ZNVNAGFJJHHJAE-UHFFFAOYSA-N 0 3 350.802 4.119 20 5 FIBDHN CC(C)N(Cc1c[nH]nc1-c1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000507173376 1103193601 /nfs/dbraw/zinc/19/36/01/1103193601.db2.gz MCICTVKKKIOKCB-UHFFFAOYSA-N 0 3 350.422 4.396 20 5 FIBDHN Cc1c([C@H](C)N[C@H](CN2CCCC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000120833507 1103374349 /nfs/dbraw/zinc/37/43/49/1103374349.db2.gz MFYDKJLCEHGJAB-FXAWDEMLSA-N 0 3 353.466 4.391 20 5 FIBDHN Cc1n[nH]cc1C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000551571245 1103376102 /nfs/dbraw/zinc/37/61/02/1103376102.db2.gz LVYDMFZHKNZXKP-UHFFFAOYSA-N 0 3 366.421 4.266 20 5 FIBDHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000538168229 1104005266 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355.369 4.063 20 5 FIBDHN CC[C@@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000916569609 1121549008 /nfs/dbraw/zinc/54/90/08/1121549008.db2.gz OUEPBVQLYSIUML-OAHLLOKOSA-N 0 3 361.829 4.236 20 5 FIBDHN Cc1c(CNCc2ccc(COCC(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000917136102 1122191829 /nfs/dbraw/zinc/19/18/29/1122191829.db2.gz XWFXCJHLCSBCRE-UHFFFAOYSA-N 0 3 368.355 4.272 20 5 FIBDHN C[C@@H](C1CC1)N(Cc1ccccc1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000917437968 1122304443 /nfs/dbraw/zinc/30/44/43/1122304443.db2.gz QJKYQUMRZDTDIT-HNNXBMFYSA-N 0 3 350.422 4.203 20 5 FIBDHN CC(C)c1ccc(C(C)(C)NCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000609358810 1123689779 /nfs/dbraw/zinc/68/97/79/1123689779.db2.gz ZWIGCDVICCYKOF-UHFFFAOYSA-N 0 3 355.438 4.182 20 5 FIBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCC2(c3cccc(F)c3)CC2)c1 ZINC000610089367 1123936948 /nfs/dbraw/zinc/93/69/48/1123936948.db2.gz RWVPHJHUJUFJBG-UHFFFAOYSA-N 0 3 366.339 4.157 20 5 FIBDHN Cc1cccc(CCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000237938729 1124181471 /nfs/dbraw/zinc/18/14/71/1124181471.db2.gz VQKQNBFQDLXGGJ-UHFFFAOYSA-N 0 3 353.447 4.359 20 5 FIBDHN CC[C@@]1(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCOC1 ZINC000616487703 1124333882 /nfs/dbraw/zinc/33/38/82/1124333882.db2.gz HCYZKXJMBDIUCH-QGZVFWFLSA-N 0 3 350.802 4.167 20 5 FIBDHN O=[N+]([O-])c1cc(Cl)cnc1NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000301750335 1125207438 /nfs/dbraw/zinc/20/74/38/1125207438.db2.gz UJPFVKKKRCNMDE-GFCCVEGCSA-N 0 3 366.874 4.029 20 5 FIBDHN Cc1c(NC(=O)CCN2CCC[C@@H]2c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000063484731 212032178 /nfs/dbraw/zinc/03/21/78/212032178.db2.gz XTTAMLXZNGPOCJ-LJQANCHMSA-N 0 3 371.412 4.208 20 5 FIBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000481434951 567941851 /nfs/dbraw/zinc/94/18/51/567941851.db2.gz CGWCWXXOJRQIGE-BEFAXECRSA-N 0 3 370.453 4.025 20 5 FIBDHN Cc1ccc(CN2CCCC2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000128584120 568060722 /nfs/dbraw/zinc/06/07/22/568060722.db2.gz YBGUDKRCHSTKGV-UHFFFAOYSA-N 0 3 373.840 4.405 20 5 FIBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2N[C@@H]2CCc3sc(Cl)cc32)n1 ZINC000568757854 568181872 /nfs/dbraw/zinc/18/18/72/568181872.db2.gz HNHAGFIDWRJBOL-JHJVBQTASA-N 0 3 366.874 4.267 20 5 FIBDHN O=[N+]([O-])c1ccccc1C[C@@H](NCc1cc(-c2ccccc2)on1)C1CC1 ZINC000482011844 568226868 /nfs/dbraw/zinc/22/68/68/568226868.db2.gz FARKVCHFIULHEV-LJQANCHMSA-N 0 3 363.417 4.361 20 5 FIBDHN CCN(CC)[C@H](CNc1ccc([N+](=O)[O-])c2cccnc12)c1ccco1 ZINC000078613030 1125577656 /nfs/dbraw/zinc/57/76/56/1125577656.db2.gz DJTRHHCQGGDXGG-QGZVFWFLSA-N 0 3 354.410 4.231 20 5 FIBDHN COc1cc([N+](=O)[O-])ccc1CN(C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000619531350 1125609314 /nfs/dbraw/zinc/60/93/14/1125609314.db2.gz QXDJHPDPOREKCC-WIYYLYMNSA-N 0 3 370.449 4.203 20 5 FIBDHN C[C@@H](Nc1cccc(CN2CCSCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000182804613 1125629308 /nfs/dbraw/zinc/62/93/08/1125629308.db2.gz VHZFQPSFRMOEEI-OAHLLOKOSA-N 0 3 357.479 4.317 20 5 FIBDHN CC(=O)c1ccc(N[C@@H](C)[C@H](c2ccccc2C)N(C)C)c([N+](=O)[O-])c1 ZINC000557753132 1079632327 /nfs/dbraw/zinc/63/23/27/1079632327.db2.gz SUZHJYMIRLZLOH-VBKZILBWSA-N 0 3 355.438 4.209 20 5 FIBDHN C[C@@H]1[C@@H](c2ccccc2)CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000177553576 1081225498 /nfs/dbraw/zinc/22/54/98/1081225498.db2.gz WEYBDJZPNIWVDQ-KDOFPFPSSA-N 0 3 364.405 4.023 20 5 FIBDHN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083199349 1081547768 /nfs/dbraw/zinc/54/77/68/1081547768.db2.gz JVORSEZERNLEFY-GXTWGEPZSA-N 0 3 355.369 4.253 20 5 FIBDHN CC(C)[C@@H]1CCCCN1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001167406750 1081963212 /nfs/dbraw/zinc/96/32/12/1081963212.db2.gz VLKYRXGSBGYNCV-AWEZNQCLSA-N 0 3 364.833 4.309 20 5 FIBDHN CCCN(Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1C[C@@H](OCC)C1(C)C ZINC001167446674 1082319874 /nfs/dbraw/zinc/31/98/74/1082319874.db2.gz BZYNZUXGVNVJMS-ZWKOTPCHSA-N 0 3 350.459 4.019 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000177938474 1082352396 /nfs/dbraw/zinc/35/23/96/1082352396.db2.gz PONYFEHYAQYRQN-LHSJRXKWSA-N 0 3 368.433 4.476 20 5 FIBDHN COCCOc1ccc([C@@H](C)N[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000610538815 1082909362 /nfs/dbraw/zinc/90/93/62/1082909362.db2.gz YCTOFXVKWQKYGT-HUUCEWRRSA-N 0 3 374.437 4.040 20 5 FIBDHN CCC[C@H](N[C@@H](C)c1ccc(-n2cncn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178323978 1083181546 /nfs/dbraw/zinc/18/15/46/1083181546.db2.gz KAQJTCIKWVIXDV-YWZLYKJASA-N 0 3 365.437 4.368 20 5 FIBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCC([C@H]4CCCO4)CC3)o2)c1 ZINC000188244633 1083390158 /nfs/dbraw/zinc/39/01/58/1083390158.db2.gz ZZFGYZZNDDIBIG-LJQANCHMSA-N 0 3 356.422 4.246 20 5 FIBDHN CCOc1ccccc1[C@@H](CC)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000179755399 1083616691 /nfs/dbraw/zinc/61/66/91/1083616691.db2.gz SCSCNJKFLLRXOG-MRXNPFEDSA-N 0 3 371.437 4.063 20 5 FIBDHN C[C@@H](N[C@@H](CN1CCCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000610809708 1083718997 /nfs/dbraw/zinc/71/89/97/1083718997.db2.gz PVVYUSJOUKHGOU-UTKZUKDTSA-N 0 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1084293144 /nfs/dbraw/zinc/29/31/44/1084293144.db2.gz WAIPBQCGYHDNIK-UHFFFAOYSA-N 0 3 350.422 4.132 20 5 FIBDHN C[C@@H](N[C@H](CO)CC(F)(F)F)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000539054857 1084299568 /nfs/dbraw/zinc/29/95/68/1084299568.db2.gz UFCMRFGUPXURQW-MNOVXSKESA-N 0 3 374.384 4.287 20 5 FIBDHN COc1cc(CN(C(C)C)C2CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180190782 1084847336 /nfs/dbraw/zinc/84/73/36/1084847336.db2.gz KMTFNQSLJKXKTN-UHFFFAOYSA-N 0 3 358.385 4.010 20 5 FIBDHN CC(=O)N1CC[C@@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c2ccccc21 ZINC000375721259 1085251117 /nfs/dbraw/zinc/25/11/17/1085251117.db2.gz VILOGVOMVQCCPG-VQTJNVASSA-N 0 3 365.433 4.060 20 5 FIBDHN CCC1(O)CCC(N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000611520668 1085455706 /nfs/dbraw/zinc/45/57/06/1085455706.db2.gz NRDHZHOVAIEPPD-CKHPTIKVSA-N 0 3 354.450 4.358 20 5 FIBDHN COc1ccc2[nH]cc(C3CCN(Cc4ccccc4[N+](=O)[O-])CC3)c2c1 ZINC000108971896 1085575385 /nfs/dbraw/zinc/57/53/85/1085575385.db2.gz 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C[C@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1n1ccnc1 ZINC000180611044 1087980545 /nfs/dbraw/zinc/98/05/45/1087980545.db2.gz JBWQQRWQPNIUJO-KXBFYZLASA-N 0 3 366.421 4.134 20 5 FIBDHN C[C@@H]1[C@H](c2ccccc2)CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000177553547 1088361259 /nfs/dbraw/zinc/36/12/59/1088361259.db2.gz WEYBDJZPNIWVDQ-RDTXWAMCSA-N 0 3 364.405 4.023 20 5 FIBDHN CC1(C)C[C@H](NC/C=C/c2ccccc2[N+](=O)[O-])c2cc(N)ccc2O1 ZINC000415022175 1089060953 /nfs/dbraw/zinc/06/09/53/1089060953.db2.gz BVDBTNKYJNQQDF-UABRLCRWSA-N 0 3 353.422 4.082 20 5 FIBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H]2C[C@H](c3ccccc3F)C2)c1 ZINC000435781281 1089944756 /nfs/dbraw/zinc/94/47/56/1089944756.db2.gz IRKMJPNOAJCEEA-AULYBMBSSA-N 0 3 366.339 4.371 20 5 FIBDHN CC(C)(C)[C@H]1CCCC[C@H]1NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000072605906 1090269568 /nfs/dbraw/zinc/26/95/68/1090269568.db2.gz DRRWMGOQWBSXMT-JKSUJKDBSA-N 0 3 358.442 4.339 20 5 FIBDHN C[C@H](N[C@H](c1ccccc1)C1CCC1)C(=O)Nc1ccccc1[N+](=O)[O-] 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CC1(C)C[C@H](NCc2ccccc2-n2ccnc2)c2cc([N+](=O)[O-])ccc21 ZINC000433155075 1093342441 /nfs/dbraw/zinc/34/24/41/1093342441.db2.gz WISMXLWWZJHRKL-IBGZPJMESA-N 0 3 362.433 4.293 20 5 FIBDHN CC[C@H](N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1c(C)nn(C)c1C ZINC000433307254 1093573187 /nfs/dbraw/zinc/57/31/87/1093573187.db2.gz UUYNKWIHIUWXBB-ROUUACIJSA-N 0 3 356.470 4.408 20 5 FIBDHN CC[C@@H](N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1c(C)nn(C)c1C ZINC000433307247 1093573253 /nfs/dbraw/zinc/57/32/53/1093573253.db2.gz UUYNKWIHIUWXBB-MSOLQXFVSA-N 0 3 356.470 4.408 20 5 FIBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000429964885 1093684419 /nfs/dbraw/zinc/68/44/19/1093684419.db2.gz CHRYLJAFDLHOCE-DNVCBOLYSA-N 0 3 370.453 4.025 20 5 FIBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000429964892 1093684467 /nfs/dbraw/zinc/68/44/67/1093684467.db2.gz CHRYLJAFDLHOCE-KXBFYZLASA-N 0 3 370.453 4.025 20 5 FIBDHN 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ZINC000423454512 1096699211 /nfs/dbraw/zinc/69/92/11/1096699211.db2.gz ZGLCDMSWUYWUMW-AWEZNQCLSA-N 0 3 355.438 4.202 20 5 FIBDHN C[C@H](N[C@@H](c1ccccc1)C1CCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000533045256 1098710024 /nfs/dbraw/zinc/71/00/24/1098710024.db2.gz AHDKRZUZPVVBBD-LIRRHRJNSA-N 0 3 353.422 4.053 20 5 FIBDHN C[C@@H]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]2CCCC[C@H]12 ZINC000079866250 1098731859 /nfs/dbraw/zinc/73/18/59/1098731859.db2.gz CXDPQLUKNNYLJA-XYPHTWIQSA-N 0 3 356.426 4.045 20 5 FIBDHN C[C@@H](CCCc1cccnc1)NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000459632127 1100366217 /nfs/dbraw/zinc/36/62/17/1100366217.db2.gz DSQCTMJXWWSXMF-HNNXBMFYSA-N 0 3 366.421 4.146 20 5 FIBDHN Cc1c(CNC2(c3ccc4c(c3)OCCO4)CCCC2)cccc1[N+](=O)[O-] ZINC000537041213 1101417759 /nfs/dbraw/zinc/41/77/59/1101417759.db2.gz VCFUSWNGKVEREV-UHFFFAOYSA-N 0 3 368.433 4.234 20 5 FIBDHN Cc1ccccc1[C@@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000537291232 1101609977 /nfs/dbraw/zinc/60/99/77/1101609977.db2.gz OBSNTELPUDBOPS-QRWLVFNGSA-N 0 3 367.449 4.280 20 5 FIBDHN COCCOc1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000507168503 1101706100 /nfs/dbraw/zinc/70/61/00/1101706100.db2.gz DGNVJGDPYZKREA-UHFFFAOYSA-N 0 3 358.438 4.031 20 5 FIBDHN Cc1ccn(-c2ccccc2CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000127649264 1102158009 /nfs/dbraw/zinc/15/80/09/1102158009.db2.gz LUUNGQCMADFPHF-INIZCTEOSA-N 0 3 350.422 4.248 20 5 FIBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1cccc(Cn3ccnc3)c1)CCC2 ZINC000192653388 1102805829 /nfs/dbraw/zinc/80/58/29/1102805829.db2.gz USAVDMBOGMMFIR-NRFANRHFSA-N 0 3 362.433 4.007 20 5 FIBDHN COCCC[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000282046424 1102879811 /nfs/dbraw/zinc/87/98/11/1102879811.db2.gz VCEXATYTPHEZAS-KRWDZBQOSA-N 0 3 362.401 4.000 20 5 FIBDHN Cc1nn(-c2ccccc2)c(Cl)c1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000729682340 1103036197 /nfs/dbraw/zinc/03/61/97/1103036197.db2.gz QMOICFRLGIALNS-UHFFFAOYSA-N 0 3 370.840 4.075 20 5 FIBDHN Cc1ccccc1[C@H](C)N(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC(C)C ZINC000551423825 1103207418 /nfs/dbraw/zinc/20/74/18/1103207418.db2.gz OZWJHMSLNMJUMX-INIZCTEOSA-N 0 3 369.465 4.221 20 5 FIBDHN Cc1ccccc1[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000538258788 1104082255 /nfs/dbraw/zinc/08/22/55/1104082255.db2.gz IZYVJZQNKRQQBX-LJQANCHMSA-N 0 3 355.438 4.219 20 5 FIBDHN Cc1ccc([C@@H](C)NCCC(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000538276978 1104096929 /nfs/dbraw/zinc/09/69/29/1104096929.db2.gz WOSMKVJJILJCIS-CYBMUJFWSA-N 0 3 361.829 4.236 20 5 FIBDHN CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1cc(F)cc(F)c1 ZINC000444695791 1108099831 /nfs/dbraw/zinc/09/98/31/1108099831.db2.gz GCLHAKCOWVZEAI-UHFFFAOYSA-N 0 3 373.359 4.203 20 5 FIBDHN CCC[C@H](NCc1ccccc1-n1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000152245235 1109370588 /nfs/dbraw/zinc/37/05/88/1109370588.db2.gz CZTYSRSRKGOOHQ-IBGZPJMESA-N 0 3 350.422 4.412 20 5 FIBDHN Cc1cc([C@@H](N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C2CC2)ccc1F ZINC000538323547 1111090991 /nfs/dbraw/zinc/09/09/91/1111090991.db2.gz PTPNVMZVGNURSJ-DJJJIMSYSA-N 0 3 371.412 4.110 20 5 FIBDHN C[C@@]1(NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCOC1 ZINC000538427752 1111133049 /nfs/dbraw/zinc/13/30/49/1111133049.db2.gz PRHLZJJFJAPZTG-GOSISDBHSA-N 0 3 362.813 4.309 20 5 FIBDHN CC[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000539255355 1111496325 /nfs/dbraw/zinc/49/63/25/1111496325.db2.gz JWIITAPUHXNPGF-HNNXBMFYSA-N 0 3 361.829 4.236 20 5 FIBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](c1ccccc1C)C(C)C ZINC000539261473 1111498814 /nfs/dbraw/zinc/49/88/14/1111498814.db2.gz QTTGOLXYYXBIRD-FQEVSTJZSA-N 0 3 355.438 4.137 20 5 FIBDHN Cc1c(F)cccc1NC(=O)CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490200822 1114237439 /nfs/dbraw/zinc/23/74/39/1114237439.db2.gz JOAQAYZPSGEHTK-UHFFFAOYSA-N 0 3 371.412 4.036 20 5 FIBDHN O=[N+]([O-])c1cccc([C@H](NC[C@@H](O)C2CCCCC2)c2ccccc2)c1 ZINC000491013226 1114365733 /nfs/dbraw/zinc/36/57/33/1114365733.db2.gz ZBNCQKGYYQBTHV-NHCUHLMSSA-N 0 3 354.450 4.215 20 5 FIBDHN COc1cc(CN([C@@H](C)C2CC2)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491116988 1114375946 /nfs/dbraw/zinc/37/59/46/1114375946.db2.gz WHTPLLHVSJICLM-NSHDSACASA-N 0 3 370.396 4.010 20 5 FIBDHN CC[C@@H]1c2ccsc2CCN1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000164798598 1114585472 /nfs/dbraw/zinc/58/54/72/1114585472.db2.gz CZVVPPPXNKZYHK-MRXNPFEDSA-N 0 3 373.478 4.303 20 5 FIBDHN CC[C@H](NCCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccccc1F ZINC000593062398 1115279613 /nfs/dbraw/zinc/27/96/13/1115279613.db2.gz BYMOTQLPGGXITK-INIZCTEOSA-N 0 3 359.401 4.112 20 5 FIBDHN COC[C@@H](C)Oc1ccc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000594935199 1115501059 /nfs/dbraw/zinc/50/10/59/1115501059.db2.gz DVNZNCUMPXBOPR-OAHLLOKOSA-N 0 3 358.438 4.033 20 5 FIBDHN CN(Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000595298051 1115522012 /nfs/dbraw/zinc/52/20/12/1115522012.db2.gz NTSLCQPKSSNVJN-FXAWDEMLSA-N 0 3 358.413 4.334 20 5 FIBDHN COc1ccc([C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C2CC2)cn1 ZINC000599095970 1115789318 /nfs/dbraw/zinc/78/93/18/1115789318.db2.gz JPXGRRRNXVAOEN-AZUAARDMSA-N 0 3 353.422 4.117 20 5 FIBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(c2ccc3cccnc3n2)CC1 ZINC000594019841 1115962226 /nfs/dbraw/zinc/96/22/26/1115962226.db2.gz ACQUDAGSQOEOJK-OAHLLOKOSA-N 0 3 362.433 4.479 20 5 FIBDHN Cc1ccccc1O[C@H](C)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000462735403 1117742077 /nfs/dbraw/zinc/74/20/77/1117742077.db2.gz DCLNTCDOYPBZML-CYBMUJFWSA-N 0 3 366.364 4.062 20 5 FIBDHN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000540119903 1117883349 /nfs/dbraw/zinc/88/33/49/1117883349.db2.gz TZKZPNSQSYNGFA-QWHCGFSZSA-N 0 3 353.422 4.236 20 5 FIBDHN Cc1cnc(NC[C@H](c2cccs2)N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000463050274 1117941048 /nfs/dbraw/zinc/94/10/48/1117941048.db2.gz YZEHNHRHPGEDPS-MRXNPFEDSA-N 0 3 360.483 4.245 20 5 FIBDHN CC[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(C)cc1 ZINC000540354582 1117999405 /nfs/dbraw/zinc/99/94/05/1117999405.db2.gz OFOAPPRGGYIPMP-DOTOQJQBSA-N 0 3 355.438 4.280 20 5 FIBDHN Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2CCCN(C)[C@H]2c2cccs2)n1 ZINC000541007205 1118343307 /nfs/dbraw/zinc/34/33/07/1118343307.db2.gz REVAIYSJRSZSMM-WMLDXEAASA-N 0 3 360.483 4.163 20 5 FIBDHN C[C@H](NC[C@@H](O)c1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000090079271 1118360811 /nfs/dbraw/zinc/36/08/11/1118360811.db2.gz OACSKGSMMJSZDN-ZUZCIYMTSA-N 0 3 355.221 4.286 20 5 FIBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000541566259 1118557203 /nfs/dbraw/zinc/55/72/03/1118557203.db2.gz JITJHYFZAPSJEH-CHWSQXEVSA-N 0 3 371.462 4.495 20 5 FIBDHN COc1ccc2oc([C@H](C)NCCOc3ccccc3[N+](=O)[O-])c(C)c2c1 ZINC000541654095 1118597888 /nfs/dbraw/zinc/59/78/88/1118597888.db2.gz APGDBPZUKGDDLM-AWEZNQCLSA-N 0 3 370.405 4.388 20 5 FIBDHN Cc1ccc(CCN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]2CCCO2)cc1 ZINC000464776361 1118690557 /nfs/dbraw/zinc/69/05/57/1118690557.db2.gz NIECJKSDNRYFJM-NRFANRHFSA-N 0 3 354.450 4.127 20 5 FIBDHN O=[N+]([O-])c1ccc(OC2CCN(CCOC3CCCCCC3)CC2)cc1 ZINC000464784566 1118694316 /nfs/dbraw/zinc/69/43/16/1118694316.db2.gz YZGYVAPNOWVTCO-UHFFFAOYSA-N 0 3 362.470 4.177 20 5 FIBDHN COc1cc(CN(C)C2CCCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491890257 1118990527 /nfs/dbraw/zinc/99/05/27/1118990527.db2.gz NJUCYABMBVHYQM-UHFFFAOYSA-N 0 3 358.385 4.012 20 5 FIBDHN CO[C@@H](CNCc1ccc([N+](=O)[O-])c(Cl)c1)c1cccc(Cl)c1 ZINC000761526484 1119409661 /nfs/dbraw/zinc/40/96/61/1119409661.db2.gz NFWRPWCVLVDTGW-INIZCTEOSA-N 0 3 355.221 4.379 20 5 FIBDHN CC(C)[C@@H](O)C1(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000494968826 1120407606 /nfs/dbraw/zinc/40/76/06/1120407606.db2.gz LGLHXQWBGDKJJB-VQTJNVASSA-N 0 3 354.450 4.071 20 5 FIBDHN CC(C)[C@H](O)C1(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000494968824 1120408049 /nfs/dbraw/zinc/40/80/49/1120408049.db2.gz LGLHXQWBGDKJJB-UXHICEINSA-N 0 3 354.450 4.071 20 5 FIBDHN CC(=O)c1ccc(N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000301542069 1122218988 /nfs/dbraw/zinc/21/89/88/1122218988.db2.gz NTIJRJMAFFYNPZ-BEFAXECRSA-N 0 3 367.449 4.262 20 5 FIBDHN CC(=O)c1ccc(N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000301597025 1122230514 /nfs/dbraw/zinc/23/05/14/1122230514.db2.gz SQPYLYDHCRMHGV-HNAYVOBHSA-N 0 3 367.449 4.120 20 5 FIBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCCC[C@H]2c2cc3ccccc3[nH]2)c1 ZINC000154526549 1122443577 /nfs/dbraw/zinc/44/35/77/1122443577.db2.gz QCLJUFNPOXPNAK-SFTDATJTSA-N 0 3 365.433 4.337 20 5 FIBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H]1CC[C@H](c2ccccc2)C[C@@H]1OC ZINC000556879474 1123165797 /nfs/dbraw/zinc/16/57/97/1123165797.db2.gz DLSVVRPXHGLUIH-SCWSEQNSSA-N 0 3 370.449 4.044 20 5 FIBDHN O=[N+]([O-])c1cccc(-c2nc(CNCCCc3ccc(O)cc3)cs2)c1 ZINC000609826083 1123851410 /nfs/dbraw/zinc/85/14/10/1123851410.db2.gz PNNMUICRZNPYKE-UHFFFAOYSA-N 0 3 369.446 4.146 20 5 FIBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCc2cc3ccccc3o2)c1 ZINC000610090269 1123937024 /nfs/dbraw/zinc/93/70/24/1123937024.db2.gz ZXSSVIRAFVDEOP-UHFFFAOYSA-N 0 3 362.332 4.275 20 5 FIBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@@H]2CCSc3ccc(Cl)cc32)cc1 ZINC000765850687 1124214560 /nfs/dbraw/zinc/21/45/60/1124214560.db2.gz ZJUPVPXYHRSIIK-HZPDHXFCSA-N 0 3 364.854 4.108 20 5 FIBDHN CCO[C@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C12CCCC2 ZINC000462758572 1124489462 /nfs/dbraw/zinc/48/94/62/1124489462.db2.gz UZHDLBTVJYZYSP-HOTGVXAUSA-N 0 3 370.396 4.024 20 5 FIBDHN O=[N+]([O-])c1cccc(-c2nc(CNC[C@H]3Cc4ccccc43)cs2)c1 ZINC000113335838 1125154542 /nfs/dbraw/zinc/15/45/42/1125154542.db2.gz ATLYVLSJKDCXQY-OAHLLOKOSA-N 0 3 351.431 4.148 20 5 FIBDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000098068113 222224497 /nfs/dbraw/zinc/22/44/97/222224497.db2.gz UDGOMVYXQYTWTA-CABCVRRESA-N 0 3 363.417 4.426 20 5 FIBDHN COc1cc(CN[C@@H]2CC[C@H](F)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000568357264 568033310 /nfs/dbraw/zinc/03/33/10/568033310.db2.gz RRHNODPRZQTVQN-DLBZAZTESA-N 0 3 374.412 4.163 20 5 FIBDHN O=[N+]([O-])c1cccc(-c2ccc(CNCCc3ccc(F)cc3F)o2)c1 ZINC000569953162 568444289 /nfs/dbraw/zinc/44/42/89/568444289.db2.gz DCEOWJJYIURSKM-UHFFFAOYSA-N 0 3 358.344 4.465 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCCN2c3ccccc3C[C@H]2C1 ZINC000570607355 568490731 /nfs/dbraw/zinc/49/07/31/568490731.db2.gz RFCSOCWLWUUFKN-LPHOPBHVSA-N 0 3 351.450 4.101 20 5 FIBDHN CC[C@@H]1CCN1Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000430207834 1079954127 /nfs/dbraw/zinc/95/41/27/1079954127.db2.gz RSOUBWLUJTZOSR-QGZVFWFLSA-N 0 3 356.422 4.167 20 5 FIBDHN Cc1ccc(OCCNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000608835477 1079977441 /nfs/dbraw/zinc/97/74/41/1079977441.db2.gz LCADLJOHMCIYBN-UHFFFAOYSA-N 0 3 352.390 4.332 20 5 FIBDHN CC(C)(C)CCN1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC001167131684 1080661797 /nfs/dbraw/zinc/66/17/97/1080661797.db2.gz QREOOACGOVZAOD-UHFFFAOYSA-N 0 3 374.312 4.455 20 5 FIBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000109765398 1081181781 /nfs/dbraw/zinc/18/17/81/1081181781.db2.gz AINIYWGKLTVXSG-CQSZACIVSA-N 0 3 350.422 4.412 20 5 FIBDHN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083199340 1081547678 /nfs/dbraw/zinc/54/76/78/1081547678.db2.gz JVORSEZERNLEFY-OCCSQVGLSA-N 0 3 355.369 4.253 20 5 FIBDHN CCN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@@H]1CCOC1 ZINC000463031559 1081983096 /nfs/dbraw/zinc/98/30/96/1081983096.db2.gz VWMAPDJCNZRRNJ-CYBMUJFWSA-N 0 3 350.802 4.119 20 5 FIBDHN C[C@@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccncc1 ZINC000610517701 1082730043 /nfs/dbraw/zinc/73/00/43/1082730043.db2.gz HPYQZLRSRJTGEG-ZDUSSCGKSA-N 0 3 354.435 4.007 20 5 FIBDHN O=[N+]([O-])c1ccc2oc(CN3CCCC[C@@H]3Cc3ccccc3)nc2c1 ZINC000610581515 1083207401 /nfs/dbraw/zinc/20/74/01/1083207401.db2.gz OQXOCCXVUMVIKE-MRXNPFEDSA-N 0 3 351.406 4.333 20 5 FIBDHN CCC[C@@H](N[C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1cccc([N+](=O)[O-])c1 ZINC000610818816 1083748051 /nfs/dbraw/zinc/74/80/51/1083748051.db2.gz XZLJGZZSQVOXGT-MLGOLLRUSA-N 0 3 354.410 4.369 20 5 FIBDHN Cc1c(CN[C@@H]2CCc3c2cccc3Br)cccc1[N+](=O)[O-] ZINC000389407848 1083799651 /nfs/dbraw/zinc/79/96/51/1083799651.db2.gz KNMDHBMIEDXRAE-MRXNPFEDSA-N 0 3 361.239 4.443 20 5 FIBDHN CC[C@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000178479104 1083982297 /nfs/dbraw/zinc/98/22/97/1083982297.db2.gz XPYFUGBUJVFSKJ-PBHICJAKSA-N 0 3 356.422 4.476 20 5 FIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CCO[C@H]3C3CC3)o2)c(Cl)c1 ZINC000538421627 1084084292 /nfs/dbraw/zinc/08/42/92/1084084292.db2.gz PLBHWGCROPECOJ-WMZOPIPTSA-N 0 3 362.813 4.165 20 5 FIBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1nn(C)c2ccccc12 ZINC000612829217 1084120733 /nfs/dbraw/zinc/12/07/33/1084120733.db2.gz BBQCRRUOIRFOKF-CQSZACIVSA-N 0 3 370.478 4.142 20 5 FIBDHN Cc1ccc([C@@H](C)NCc2ccccc2-c2ccnn2C)cc1[N+](=O)[O-] ZINC000511463969 1084515016 /nfs/dbraw/zinc/51/50/16/1084515016.db2.gz OKOLGYUZLZLQIP-OAHLLOKOSA-N 0 3 350.422 4.155 20 5 FIBDHN CN(C)C[C@@H](NC/C=C/c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000563249734 1084633428 /nfs/dbraw/zinc/63/34/28/1084633428.db2.gz KIPHOGYGOSUOCL-SUQGKYDKSA-N 0 3 359.857 4.154 20 5 FIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3c4ccccc4C[C@H]3O)s2)cc1 ZINC000085334332 1084795941 /nfs/dbraw/zinc/79/59/41/1084795941.db2.gz DASOAKDYFZRWCR-QUCCMNQESA-N 0 3 366.442 4.071 20 5 FIBDHN Cc1ccc([C@H](C)NCc2ccc(NC(=O)NC(C)C)cc2)cc1[N+](=O)[O-] ZINC000128011971 1085274958 /nfs/dbraw/zinc/27/49/58/1085274958.db2.gz GINVTEDZUVKXGK-HNNXBMFYSA-N 0 3 370.453 4.284 20 5 FIBDHN Cc1c([C@H](C)NCc2ccc(NC(=O)NC(C)C)cc2)cccc1[N+](=O)[O-] ZINC000128027957 1085301538 /nfs/dbraw/zinc/30/15/38/1085301538.db2.gz XZYKHSLBNRBKPR-HNNXBMFYSA-N 0 3 370.453 4.284 20 5 FIBDHN COc1ccc([C@@H](C)N[C@@H]2CCc3c2cccc3[N+](=O)[O-])c(C)c1OC ZINC000582974533 1085979740 /nfs/dbraw/zinc/97/97/40/1085979740.db2.gz FAWNLKOVSYIPCI-CXAGYDPISA-N 0 3 356.422 4.259 20 5 FIBDHN Cc1c(CNCc2ccc(OCc3ccncc3)cc2)cccc1[N+](=O)[O-] ZINC000480458105 1087496772 /nfs/dbraw/zinc/49/67/72/1087496772.db2.gz CFEDEWIEDYJNIX-UHFFFAOYSA-N 0 3 363.417 4.167 20 5 FIBDHN O=[N+]([O-])c1cccc([C@H](NC[C@H](CO)c2ccccc2)c2ccccc2)c1 ZINC000180719838 1088044407 /nfs/dbraw/zinc/04/44/07/1088044407.db2.gz JRWGDADDOVTGLE-IFMALSPDSA-N 0 3 362.429 4.050 20 5 FIBDHN COC[C@H](N[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000513824948 1088453203 /nfs/dbraw/zinc/45/32/03/1088453203.db2.gz SWVKXLSRMQWSKD-JQHSSLGASA-N 0 3 358.438 4.185 20 5 FIBDHN C[C@@H]1[C@H](Cc2ccccc2)CCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000435039234 1089215164 /nfs/dbraw/zinc/21/51/64/1089215164.db2.gz CQVYDKANKNFWMC-ZBFHGGJFSA-N 0 3 351.406 4.189 20 5 FIBDHN Cc1ccn(C2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)n1 ZINC000435055720 1089244866 /nfs/dbraw/zinc/24/48/66/1089244866.db2.gz DGXJODSWRYLWDB-UHFFFAOYSA-N 0 3 366.421 4.197 20 5 FIBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccc(N3CCCC3)nc1)CCCC2 ZINC000417307600 1090800611 /nfs/dbraw/zinc/80/06/11/1090800611.db2.gz DRRKRCQRVMUVSH-FQEVSTJZSA-N 0 3 366.465 4.147 20 5 FIBDHN C[S@](=O)Cc1ccc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417332706 1090821427 /nfs/dbraw/zinc/82/14/27/1090821427.db2.gz OLJNIRFNZOITCM-IBVKSMDESA-N 0 3 372.490 4.031 20 5 FIBDHN CC[C@@H](C)[C@@H](O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000236867932 1090938910 /nfs/dbraw/zinc/93/89/10/1090938910.db2.gz ZEFDLPJICOYJLP-BZNIZROVSA-N 0 3 352.818 4.005 20 5 FIBDHN Cc1ccccc1[C@H]1CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000728900685 1091800711 /nfs/dbraw/zinc/80/07/11/1091800711.db2.gz PHFNSKKZMIPOKR-SFHVURJKSA-N 0 3 362.433 4.214 20 5 FIBDHN COc1ccc([C@H]2C[C@H](NCc3ccc([N+](=O)[O-])cc3Cl)C2)cc1F ZINC000500508706 1092165872 /nfs/dbraw/zinc/16/58/72/1092165872.db2.gz QLIYVQXVOPLKAW-HDJSIYSDSA-N 0 3 364.804 4.432 20 5 FIBDHN CCOc1ccc2c(c1)[C@H](NC/C=C/c1ccccc1[N+](=O)[O-])CCO2 ZINC000614101450 1092936002 /nfs/dbraw/zinc/93/60/02/1092936002.db2.gz ONAULCLFRXHHIW-SUQGKYDKSA-N 0 3 354.406 4.120 20 5 FIBDHN CCc1ccc([C@@H]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)cc1 ZINC000433057246 1093174531 /nfs/dbraw/zinc/17/45/31/1093174531.db2.gz KPBWRVNBHJZJQG-MRXNPFEDSA-N 0 3 351.406 4.288 20 5 FIBDHN CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419325688 1093635579 /nfs/dbraw/zinc/63/55/79/1093635579.db2.gz LIYIVCCLLKWOPN-CVEARBPZSA-N 0 3 358.442 4.291 20 5 FIBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000429964889 1093684628 /nfs/dbraw/zinc/68/46/28/1093684628.db2.gz CHRYLJAFDLHOCE-HNAYVOBHSA-N 0 3 370.453 4.025 20 5 FIBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C)cc1CN(C)C ZINC000185369026 1093728777 /nfs/dbraw/zinc/72/87/77/1093728777.db2.gz JLMBVLHXJJBRKL-KRWDZBQOSA-N 0 3 369.465 4.172 20 5 FIBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC[C@H](n3cccn3)C2)s1 ZINC000513123133 1093861615 /nfs/dbraw/zinc/86/16/15/1093861615.db2.gz RVRFOMBACXTDCO-HNNXBMFYSA-N 0 3 368.462 4.357 20 5 FIBDHN O=[N+]([O-])c1cc(CN[C@@H]2C=C[C@H](CO)C2)ccc1Oc1ccccc1Cl ZINC000129687214 1094507542 /nfs/dbraw/zinc/50/75/42/1094507542.db2.gz HLHKSRJUABHKCZ-LSDHHAIUSA-N 0 3 374.824 4.067 20 5 FIBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](C2CCCC2)C1 ZINC000420959454 1095200625 /nfs/dbraw/zinc/20/06/25/1095200625.db2.gz DZJFBIIEDPQCMH-CZUORRHYSA-N 0 3 356.426 4.218 20 5 FIBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000502342895 1095378038 /nfs/dbraw/zinc/37/80/38/1095378038.db2.gz DGKBNSLFCIGBPF-MOTZXUDYSA-N 0 3 366.465 4.020 20 5 FIBDHN COCC[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(C)(C)C ZINC000509963739 1096331106 /nfs/dbraw/zinc/33/11/06/1096331106.db2.gz LUTGIYQLRSCDOL-INIZCTEOSA-N 0 3 363.483 4.259 20 5 FIBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@H]1c2ccccc2CC12CCOCC2 ZINC000515432794 1098588620 /nfs/dbraw/zinc/58/86/20/1098588620.db2.gz JUPBOVNFWUHWAX-CTNGQTDRSA-N 0 3 364.445 4.266 20 5 FIBDHN Cc1nn(C)cc1[C@@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000237419013 1099496678 /nfs/dbraw/zinc/49/66/78/1099496678.db2.gz NQVCGLZXHQEIJP-GFCCVEGCSA-N 0 3 356.451 4.216 20 5 FIBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C)c1ccncc1OC ZINC000437071913 1099590533 /nfs/dbraw/zinc/59/05/33/1099590533.db2.gz IZGUOVIVFRAJHZ-ZIAGYGMSSA-N 0 3 361.467 4.220 20 5 FIBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2ccc(C3CC3)cc2F)n1 ZINC000425957366 1100494590 /nfs/dbraw/zinc/49/45/90/1100494590.db2.gz BHHUSOOHWSTZRN-MSOLQXFVSA-N 0 3 358.417 4.081 20 5 FIBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](c1ccccc1)C(C)(C)C ZINC000438719043 1100882457 /nfs/dbraw/zinc/88/24/57/1100882457.db2.gz CASCVJDJVKOPIP-IBGZPJMESA-N 0 3 355.438 4.219 20 5 FIBDHN Cc1ccc([C@H](C)N[C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1[N+](=O)[O-] ZINC000536908042 1101333350 /nfs/dbraw/zinc/33/33/50/1101333350.db2.gz CVFRGOSNSNHMCO-KGLIPLIRSA-N 0 3 353.422 4.200 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](CC(C)C)c1ccccc1 ZINC000537041701 1101417659 /nfs/dbraw/zinc/41/76/59/1101417659.db2.gz XRKWIJJVCNRVJY-LJQANCHMSA-N 0 3 355.438 4.219 20 5 FIBDHN Cc1ccc([C@@H](C)NC[C@H](O)COc2ccccc2C(C)C)cc1[N+](=O)[O-] ZINC000537179225 1101523060 /nfs/dbraw/zinc/52/30/60/1101523060.db2.gz YOBKWIDUTNVIAD-AEFFLSMTSA-N 0 3 372.465 4.117 20 5 FIBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000506672328 1101742404 /nfs/dbraw/zinc/74/24/04/1101742404.db2.gz AZDNWFZADZRCTO-ALCCZGGFSA-N 0 3 362.433 4.364 20 5 FIBDHN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)CN1Cc1ccccc1 ZINC001168192118 1102256805 /nfs/dbraw/zinc/25/68/05/1102256805.db2.gz IDSBPNXSXASJIP-CVEARBPZSA-N 0 3 373.884 4.343 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1ccc(Cl)s1 ZINC000026250761 1102303119 /nfs/dbraw/zinc/30/31/19/1102303119.db2.gz DCAFEVOKCHUBNT-UHFFFAOYSA-N 0 3 367.858 4.079 20 5 FIBDHN O=[N+]([O-])c1cccc(CN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000532638031 1102627167 /nfs/dbraw/zinc/62/71/67/1102627167.db2.gz WNRDBFYDBIWSQW-OAHLLOKOSA-N 0 3 357.479 4.310 20 5 FIBDHN O=[N+]([O-])c1ccc(CN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC000532637963 1102641069 /nfs/dbraw/zinc/64/10/69/1102641069.db2.gz MPKKSBRSUJZIMQ-OAHLLOKOSA-N 0 3 357.479 4.310 20 5 FIBDHN O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@@H](Cc4ccccc4)C3)co2)cc1 ZINC000536365419 1104819864 /nfs/dbraw/zinc/81/98/64/1104819864.db2.gz JVJPJGLTQTVYMV-KRWDZBQOSA-N 0 3 363.417 4.314 20 5 FIBDHN C[C@@H](N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CC1 ZINC000015504408 1105171336 /nfs/dbraw/zinc/17/13/36/1105171336.db2.gz UMDXDLHVVJFUKQ-KZULUSFZSA-N 0 3 373.840 4.316 20 5 FIBDHN C[C@@H](N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CC1 ZINC000015504411 1105171385 /nfs/dbraw/zinc/17/13/85/1105171385.db2.gz UMDXDLHVVJFUKQ-XIKOKIGWSA-N 0 3 373.840 4.316 20 5 FIBDHN COc1cc(CN[C@@H]2CCC23CCCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000451462826 1107117426 /nfs/dbraw/zinc/11/74/26/1107117426.db2.gz WMTXJNWDPULQOP-OAHLLOKOSA-N 0 3 356.369 4.017 20 5 FIBDHN CC[C@@H]1CCCCCN1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000523554260 1108317783 /nfs/dbraw/zinc/31/77/83/1108317783.db2.gz IFDQCWAKWSZNQQ-CYBMUJFWSA-N 0 3 358.385 4.359 20 5 FIBDHN CCOc1ccccc1OCCN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000441195635 1109440479 /nfs/dbraw/zinc/44/04/79/1109440479.db2.gz AWEUISDBPZCHTB-UHFFFAOYSA-N 0 3 358.438 4.283 20 5 FIBDHN O=[N+]([O-])c1ccc(OCCN2CCC(OCC3CCCCC3)CC2)cc1 ZINC000525784188 1109517812 /nfs/dbraw/zinc/51/78/12/1109517812.db2.gz OSQJLGDAVQQSNX-UHFFFAOYSA-N 0 3 362.470 4.035 20 5 FIBDHN Cc1ccccc1[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000538389350 1111119210 /nfs/dbraw/zinc/11/92/10/1111119210.db2.gz DIQJVNHDUNBHSC-LJQANCHMSA-N 0 3 373.840 4.236 20 5 FIBDHN Cc1cc(NC[C@@H](c2ccsc2)N(C)C)c2cccc([N+](=O)[O-])c2n1 ZINC000538448149 1111145645 /nfs/dbraw/zinc/14/56/45/1111145645.db2.gz KURRLKANXIGLKP-KRWDZBQOSA-N 0 3 356.451 4.228 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(NC(=O)NC(C)C)cc1 ZINC000128027307 1111205322 /nfs/dbraw/zinc/20/53/22/1111205322.db2.gz KUVDMRUKUDQQBT-OAHLLOKOSA-N 0 3 370.453 4.284 20 5 FIBDHN C[C@]1(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCCOC1 ZINC000538610195 1111220886 /nfs/dbraw/zinc/22/08/86/1111220886.db2.gz OJRFVRGFOFBONA-KRWDZBQOSA-N 0 3 350.802 4.167 20 5 FIBDHN COc1cc(CN2C[C@H](c3ccc(F)cc3)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000538721072 1111262345 /nfs/dbraw/zinc/26/23/45/1111262345.db2.gz MIMIUDILAJAACG-UKRRQHHQSA-N 0 3 374.412 4.129 20 5 FIBDHN Cc1cccc([C@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])C(C)(C)C)c1 ZINC000539340012 1111520370 /nfs/dbraw/zinc/52/03/70/1111520370.db2.gz LRSNLEGSWCKGAA-IBGZPJMESA-N 0 3 355.438 4.219 20 5 FIBDHN CCCCNC(=O)c1ccc(CN[C@@H](CC)c2cccc([N+](=O)[O-])c2)cc1 ZINC000160114521 1113301266 /nfs/dbraw/zinc/30/12/66/1113301266.db2.gz QQFNIXDGIOEBQH-FQEVSTJZSA-N 0 3 369.465 4.366 20 5 FIBDHN Cc1ccc([C@H](C)NC[C@@H](c2c(F)cccc2F)N(C)C)cc1[N+](=O)[O-] ZINC000483138250 1113446206 /nfs/dbraw/zinc/44/62/06/1113446206.db2.gz AFABCVAEVSFIGI-UGSOOPFHSA-N 0 3 363.408 4.135 20 5 FIBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](C(C)(C)C)C1 ZINC000483240513 1113469691 /nfs/dbraw/zinc/46/96/91/1113469691.db2.gz RIZCLZXBVFSEOJ-HIFRSBDPSA-N 0 3 358.442 4.464 20 5 FIBDHN CCCOc1ccc(C(C)(C)NCc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000483285438 1113480253 /nfs/dbraw/zinc/48/02/53/1113480253.db2.gz KBGIASZSNFUATC-UHFFFAOYSA-N 0 3 358.438 4.417 20 5 FIBDHN CN(CCc1ccccc1O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000571444422 1114471397 /nfs/dbraw/zinc/47/13/97/1114471397.db2.gz LYNWPYUVCIYKOC-UHFFFAOYSA-N 0 3 352.390 4.235 20 5 FIBDHN CC[C@H]1c2ccsc2CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000164798027 1114585174 /nfs/dbraw/zinc/58/51/74/1114585174.db2.gz ZLRZNQKDKJPUFP-KRWDZBQOSA-N 0 3 373.478 4.303 20 5 FIBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](c1ccccc1)C(C)(C)C ZINC000165718771 1114874766 /nfs/dbraw/zinc/87/47/66/1114874766.db2.gz ZEJHWWJVIOZTTE-LJQANCHMSA-N 0 3 355.438 4.219 20 5 FIBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCC(c2ccc3cccnc3n2)CC1 ZINC000594610719 1115471006 /nfs/dbraw/zinc/47/10/06/1115471006.db2.gz BQQYXUDVHDCICZ-DAXSKMNVSA-N 0 3 374.444 4.431 20 5 FIBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCO[C@H]3CC3(F)F)o2)c(Cl)c1 ZINC000594970487 1115499451 /nfs/dbraw/zinc/49/94/51/1115499451.db2.gz IBVNGOOSAVDYPD-HNNXBMFYSA-N 0 3 372.755 4.022 20 5 FIBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCN(c3ccccc3Cl)C2)c(F)c1 ZINC000594956901 1115502668 /nfs/dbraw/zinc/50/26/68/1115502668.db2.gz XESMBXGUCVMCFY-ZDUSSCGKSA-N 0 3 363.820 4.003 20 5 FIBDHN CC(C)[C@H](O)[C@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000595097398 1115517953 /nfs/dbraw/zinc/51/79/53/1115517953.db2.gz VPMFKORGFZPIKR-HBMCJLEFSA-N 0 3 354.450 4.320 20 5 FIBDHN O=[N+]([O-])c1cc(F)ccc1CN(Cc1ccccc1)CC1CCOCC1 ZINC000595317044 1115524887 /nfs/dbraw/zinc/52/48/87/1115524887.db2.gz LVFGBXUTZJYWDY-UHFFFAOYSA-N 0 3 358.413 4.163 20 5 FIBDHN C[C@H](N[C@@H]1Cc2ccccc2[C@@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595709190 1115557387 /nfs/dbraw/zinc/55/73/87/1115557387.db2.gz WWTJABMZNRZYSW-ZJNRKIDTSA-N 0 3 364.405 4.024 20 5 FIBDHN O=[N+]([O-])c1cc(CNCCOCCF)ccc1Oc1ccccc1Cl ZINC000596058237 1115571457 /nfs/dbraw/zinc/57/14/57/1115571457.db2.gz FYMARLMZWBAMIE-UHFFFAOYSA-N 0 3 368.792 4.116 20 5 FIBDHN CCCN(C(=O)C(C[C@H]1CCCO1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000593145809 1115574586 /nfs/dbraw/zinc/57/45/86/1115574586.db2.gz GHEYHTWEHPESPR-HUUCEWRRSA-N 0 3 374.359 4.085 20 5 FIBDHN O=[N+]([O-])c1cc(CNC[C@H]2CCCO2)ccc1Oc1ccccc1Cl ZINC000061002784 1115747462 /nfs/dbraw/zinc/74/74/62/1115747462.db2.gz ZKWPITRANAXYJS-CQSZACIVSA-N 0 3 362.813 4.309 20 5 FIBDHN Cc1cccc([C@@H](NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])C(C)C)c1 ZINC000599626326 1115832270 /nfs/dbraw/zinc/83/22/70/1115832270.db2.gz CXZCIYRZHVYZOQ-IBGZPJMESA-N 0 3 355.438 4.137 20 5 FIBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(Cc1ccccc1F)C(C)C ZINC000604491883 1115867564 /nfs/dbraw/zinc/86/75/64/1115867564.db2.gz RGIOWCBTYNVQRE-UHFFFAOYSA-N 0 3 373.428 4.282 20 5 FIBDHN CCCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccccc1F ZINC000604493454 1115867623 /nfs/dbraw/zinc/86/76/23/1115867623.db2.gz ZMTGPZYZJPUGMJ-UHFFFAOYSA-N 0 3 373.428 4.283 20 5 FIBDHN C[C@@H](NC[C@H](O)c1c(Cl)cccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000173438843 1116067193 /nfs/dbraw/zinc/06/71/93/1116067193.db2.gz LFUJRUWNTCLFDZ-BMIGLBTASA-N 0 3 355.221 4.286 20 5 FIBDHN C[C@@H](Cc1ccccc1Br)NCc1csc([N+](=O)[O-])c1 ZINC000539522572 1116337543 /nfs/dbraw/zinc/33/75/43/1116337543.db2.gz PNERZJMQNGWGSP-JTQLQIEISA-N 0 3 355.257 4.140 20 5 FIBDHN CCN(CC)[C@@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1ccco1 ZINC000462379141 1116341854 /nfs/dbraw/zinc/34/18/54/1116341854.db2.gz VFYOFMFQRZPUJF-AWEZNQCLSA-N 0 3 369.368 4.284 20 5 FIBDHN Cc1cccc(O[C@H](C)CNCc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000462733225 1117740903 /nfs/dbraw/zinc/74/09/03/1117740903.db2.gz HJPBZMWRUDNIKV-CYBMUJFWSA-N 0 3 366.364 4.062 20 5 FIBDHN C[C@H](CNCc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(F)cc1F ZINC000462758758 1117758663 /nfs/dbraw/zinc/75/86/63/1117758663.db2.gz WUDHMNAQURGIDX-SNVBAGLBSA-N 0 3 372.318 4.368 20 5 FIBDHN CCN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@H]1CCOC1 ZINC000463031560 1117936981 /nfs/dbraw/zinc/93/69/81/1117936981.db2.gz VWMAPDJCNZRRNJ-ZDUSSCGKSA-N 0 3 350.802 4.119 20 5 FIBDHN Cc1cnc(NC[C@@H](c2cccs2)N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000463050273 1117941028 /nfs/dbraw/zinc/94/10/28/1117941028.db2.gz YZEHNHRHPGEDPS-INIZCTEOSA-N 0 3 360.483 4.245 20 5 FIBDHN COCc1cccc(OCC2(CN[C@@H](C)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000540426263 1118050748 /nfs/dbraw/zinc/05/07/48/1118050748.db2.gz TWECQROJNBEECF-INIZCTEOSA-N 0 3 370.449 4.251 20 5 FIBDHN C[C@@H](Cc1cc(Br)ccc1F)NCc1csc([N+](=O)[O-])c1 ZINC000540621378 1118155816 /nfs/dbraw/zinc/15/58/16/1118155816.db2.gz YHXNVOJLCFCMPI-VIFPVBQESA-N 0 3 373.247 4.279 20 5 FIBDHN CC(C)C[C@@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccs1 ZINC000541626509 1118586844 /nfs/dbraw/zinc/58/68/44/1118586844.db2.gz LFCBVDHLZXHNLP-IAGOWNOFSA-N 0 3 373.478 4.139 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000464858896 1118726743 /nfs/dbraw/zinc/72/67/43/1118726743.db2.gz XEMYLJGEDXUHOU-RDTXWAMCSA-N 0 3 371.437 4.298 20 5 FIBDHN Cc1nc(CCN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cs1 ZINC000491367554 1118937247 /nfs/dbraw/zinc/93/72/47/1118937247.db2.gz NBHOHAUEWSRHQZ-IBGZPJMESA-N 0 3 353.447 4.281 20 5 FIBDHN CCOc1cc(CN[C@H](C[C@@H]2CCOC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000492748966 1119178289 /nfs/dbraw/zinc/17/82/89/1119178289.db2.gz NGAZDXZJSPMIFD-PKOBYXMFSA-N 0 3 370.449 4.251 20 5 FIBDHN COc1cc(CN[C@H](C)[C@H](OC)c2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000492781539 1119187352 /nfs/dbraw/zinc/18/73/52/1119187352.db2.gz DBBGNRQGOQQYQT-XIKOKIGWSA-N 0 3 364.829 4.123 20 5 FIBDHN Cc1c(CN[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000494450273 1119864917 /nfs/dbraw/zinc/86/49/17/1119864917.db2.gz DARRXSRMMQIDHY-SJLPKXTDSA-N 0 3 364.804 4.316 20 5 FIBDHN O=[N+]([O-])c1ccccc1C[C@@H](NCc1ccn(C2CCCC2)n1)C1CC1 ZINC000090547106 1120969823 /nfs/dbraw/zinc/96/98/23/1120969823.db2.gz OVYNVLXUPVZGAT-LJQANCHMSA-N 0 3 354.454 4.017 20 5 FIBDHN CCOc1ccc([C@H](C)NCc2ccccc2-n2cccn2)cc1[N+](=O)[O-] ZINC000153365092 1121255952 /nfs/dbraw/zinc/25/59/52/1121255952.db2.gz LSXLYTFDMIVCAM-HNNXBMFYSA-N 0 3 366.421 4.030 20 5 FIBDHN C[C@@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1cc2ccccc2o1 ZINC000130441529 1121275047 /nfs/dbraw/zinc/27/50/47/1121275047.db2.gz WNHQFRGWRUNXRD-GFCCVEGCSA-N 0 3 371.368 4.160 20 5 FIBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC1(Sc2ccccc2)CC1 ZINC000609467278 1123721165 /nfs/dbraw/zinc/72/11/65/1123721165.db2.gz OCICEKNEDYKWEV-UHFFFAOYSA-N 0 3 358.463 4.408 20 5 FIBDHN Cc1cc(NC[C@@H](CCO)c2ccccc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000181506233 1124990160 /nfs/dbraw/zinc/99/01/60/1124990160.db2.gz SEYAVNVLFQNTNC-MRXNPFEDSA-N 0 3 351.406 4.030 20 5 FIBDHN O=[N+]([O-])c1ccc(NC[C@H]2CCN2Cc2ccccc2)cc1C(F)(F)F ZINC000715721253 1125044970 /nfs/dbraw/zinc/04/49/70/1125044970.db2.gz KWWDCAAOVKCGTC-OAHLLOKOSA-N 0 3 365.355 4.300 20 5 FIBDHN CN1CCC[C@@H](CNc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1c1cccs1 ZINC000301793447 1125298847 /nfs/dbraw/zinc/29/88/47/1125298847.db2.gz PCVPSFMGSSLPIX-GTNSWQLSSA-N 0 3 367.421 4.430 20 5 FIBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CN(C)C)cc1 ZINC000481856152 568162742 /nfs/dbraw/zinc/16/27/42/568162742.db2.gz YDJUALAPCUILGF-UHFFFAOYSA-N 0 3 359.451 4.021 20 5 FIBDHN CCOCCNCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000236906444 568248084 /nfs/dbraw/zinc/24/80/84/568248084.db2.gz AZELWGXGYPBRTN-UHFFFAOYSA-N 0 3 350.802 4.167 20 5 FIBDHN Cc1nccn1CCN[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482109920 568275661 /nfs/dbraw/zinc/27/56/61/568275661.db2.gz MCAQFWLFXBXCAZ-ZDUSSCGKSA-N 0 3 356.451 4.179 20 5 FIBDHN C[C@@H](Nc1cccc(CN2CCSCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000182804708 1125629772 /nfs/dbraw/zinc/62/97/72/1125629772.db2.gz UKUUDRXORZPACC-OAHLLOKOSA-N 0 3 357.479 4.317 20 5 FIBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000619722884 1125669477 /nfs/dbraw/zinc/66/94/77/1125669477.db2.gz PYWJBCZYFFEFIG-NVXWUHKLSA-N 0 3 354.454 4.068 20 5 FIBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC2(C1)CCCCC2 ZINC000610216051 1079983346 /nfs/dbraw/zinc/98/33/46/1079983346.db2.gz HEMVQIXBMQLIII-CQSZACIVSA-N 0 3 356.426 4.362 20 5 FIBDHN CCOc1cc(NC[C@H](c2ccco2)N2CCCCC2)ccc1[N+](=O)[O-] ZINC000471242503 1080537451 /nfs/dbraw/zinc/53/74/51/1080537451.db2.gz GUJXKWSQFQECFS-QGZVFWFLSA-N 0 3 359.426 4.226 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN([C@@H](C)c1ccco1)C1CC1 ZINC000119122199 1081961960 /nfs/dbraw/zinc/96/19/60/1081961960.db2.gz AQJSAUYTIHENIY-AWEZNQCLSA-N 0 3 357.410 4.050 20 5 FIBDHN Cc1ccc([C@@H](C)NC[C@H](O)c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000177779361 1081995244 /nfs/dbraw/zinc/99/52/44/1081995244.db2.gz RJCONUNTVZZUTC-PXAZEXFGSA-N 0 3 368.355 4.306 20 5 FIBDHN COc1ccccc1[C@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)OC(C)C ZINC000471611669 1082091097 /nfs/dbraw/zinc/09/10/97/1082091097.db2.gz CPQOZELPBNXWBB-YWZLYKJASA-N 0 3 358.438 4.420 20 5 FIBDHN O=[N+]([O-])c1ccc2oc(CN3CCC[C@H]3CCc3ccccc3)nc2c1 ZINC000610581205 1083210235 /nfs/dbraw/zinc/21/02/35/1083210235.db2.gz NEZBEDLYAQGWMM-INIZCTEOSA-N 0 3 351.406 4.333 20 5 FIBDHN CCOc1ccc([C@@H](C)NCc2ccc(-n3ccnc3)cc2)cc1[N+](=O)[O-] ZINC000179409721 1083452985 /nfs/dbraw/zinc/45/29/85/1083452985.db2.gz YCWSUBIZCIOWNF-OAHLLOKOSA-N 0 3 366.421 4.030 20 5 FIBDHN CCC[C@H](N[C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1cccc([N+](=O)[O-])c1 ZINC000610818815 1083747755 /nfs/dbraw/zinc/74/77/55/1083747755.db2.gz XZLJGZZSQVOXGT-LRDDRELGSA-N 0 3 354.410 4.369 20 5 FIBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000065208725 1083892723 /nfs/dbraw/zinc/89/27/23/1083892723.db2.gz KEWXZKRPCUGECD-UHFFFAOYSA-N 0 3 354.328 4.124 20 5 FIBDHN C[C@@H](c1cccs1)N(CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000472440975 1083910630 /nfs/dbraw/zinc/91/06/30/1083910630.db2.gz SVKWOJKJJXQFDN-HNNXBMFYSA-N 0 3 356.451 4.116 20 5 FIBDHN Cn1cc(CN2CC=C(C(C)(C)C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538796186 1084194405 /nfs/dbraw/zinc/19/44/05/1084194405.db2.gz TWYALXSTUMHFMZ-UHFFFAOYSA-N 0 3 354.454 4.174 20 5 FIBDHN O=[N+]([O-])c1ccc(CNCC2(CCOCc3ccccc3)CC2)c(F)c1 ZINC000472058010 1084200299 /nfs/dbraw/zinc/20/02/99/1084200299.db2.gz CTIUIRRLRNGXJC-UHFFFAOYSA-N 0 3 358.413 4.211 20 5 FIBDHN O=[N+]([O-])c1cccc([C@H](NCCc2cn3ccccc3n2)c2ccccc2)c1 ZINC000180061730 1084211452 /nfs/dbraw/zinc/21/14/52/1084211452.db2.gz XWWSWVQOCIOUNO-JOCHJYFZSA-N 0 3 372.428 4.164 20 5 FIBDHN Cc1c([C@@H](C)N[C@H](C)c2ccc(N3CCOC3=O)cc2)cccc1[N+](=O)[O-] ZINC000177754036 1084284747 /nfs/dbraw/zinc/28/47/47/1084284747.db2.gz VLWVXFQKQZRTBJ-HUUCEWRRSA-N 0 3 369.421 4.272 20 5 FIBDHN C[C@H](N[C@H](CO)CC(F)(F)F)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000539054858 1084299338 /nfs/dbraw/zinc/29/93/38/1084299338.db2.gz UFCMRFGUPXURQW-QWRGUYRKSA-N 0 3 374.384 4.287 20 5 FIBDHN CCOC(=O)[C@@H]1CC[C@H](NCc2cccc([N+](=O)[O-])c2C)c2ccccc21 ZINC000580035395 1084329901 /nfs/dbraw/zinc/32/99/01/1084329901.db2.gz GZYIHKRVUHFLMK-MOPGFXCFSA-N 0 3 368.433 4.175 20 5 FIBDHN Cc1ccc([C@H](C)NCc2ccccc2-c2ccnn2C)cc1[N+](=O)[O-] ZINC000511463968 1084515775 /nfs/dbraw/zinc/51/57/75/1084515775.db2.gz OKOLGYUZLZLQIP-HNNXBMFYSA-N 0 3 350.422 4.155 20 5 FIBDHN CN(C)C[C@H](NC/C=C/c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000563249726 1084633192 /nfs/dbraw/zinc/63/31/92/1084633192.db2.gz KIPHOGYGOSUOCL-FZMUQLTDSA-N 0 3 359.857 4.154 20 5 FIBDHN CC[C@H](NCc1ccc(NC(=O)C(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000119829176 1084637906 /nfs/dbraw/zinc/63/79/06/1084637906.db2.gz PJLIRLDJBKYDIO-IBGZPJMESA-N 0 3 355.438 4.430 20 5 FIBDHN Cc1c(CN[C@@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)cccc1[N+](=O)[O-] ZINC000478496206 1084959356 /nfs/dbraw/zinc/95/93/56/1084959356.db2.gz KIKZAKHALUSMMR-GOSISDBHSA-N 0 3 355.394 4.237 20 5 FIBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000452044521 1085047136 /nfs/dbraw/zinc/04/71/36/1085047136.db2.gz JCAXLKYKWSTQGN-RCWVKNBDSA-N 0 3 368.437 4.074 20 5 FIBDHN C[C@H](N[C@H]1c2ccccc2CC12CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000290195766 1085050348 /nfs/dbraw/zinc/05/03/48/1085050348.db2.gz SQMNHSBUYYLSDJ-YWZLYKJASA-N 0 3 352.434 4.340 20 5 FIBDHN O=[N+]([O-])c1ccc2[nH]c(CN3C[C@H](c4ccccc4)[C@H]4CCC[C@@H]43)nc2c1 ZINC000511878136 1085275664 /nfs/dbraw/zinc/27/56/64/1085275664.db2.gz WTBNMVWHEBAPLZ-HLIPFELVSA-N 0 3 362.433 4.239 20 5 FIBDHN C[C@@H](NCc1ccc(NC(=O)c2ccco2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178641278 1085418850 /nfs/dbraw/zinc/41/88/50/1085418850.db2.gz OEHQFXFRCRYDBY-CQSZACIVSA-N 0 3 365.389 4.291 20 5 FIBDHN O=[N+]([O-])c1ccccc1C[C@H](NCc1coc(-c2cccs2)n1)C1CC1 ZINC000178658454 1085684636 /nfs/dbraw/zinc/68/46/36/1085684636.db2.gz YNUHAUBHFBLTQR-INIZCTEOSA-N 0 3 369.446 4.422 20 5 FIBDHN COC1CCC(N(C)Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000093414833 1085783780 /nfs/dbraw/zinc/78/37/80/1085783780.db2.gz JGDRJBAWFQNWDU-UHFFFAOYSA-N 0 3 361.467 4.108 20 5 FIBDHN CCO[C@@H]1C[C@H](N(C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C12CCC2 ZINC001167664834 1086520578 /nfs/dbraw/zinc/52/05/78/1086520578.db2.gz VGBRZRKQNCDONM-JKSUJKDBSA-N 0 3 372.387 4.393 20 5 FIBDHN C[C@H](N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc(NC(N)=O)cc1 ZINC000279122908 1086815456 /nfs/dbraw/zinc/81/54/56/1086815456.db2.gz QFXURQGPNXSPPZ-SGTLLEGYSA-N 0 3 368.437 4.159 20 5 FIBDHN CCn1nccc1C1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000435034464 1089230354 /nfs/dbraw/zinc/23/03/54/1089230354.db2.gz NFPKKQRWUUQZJV-SSZFMOIBSA-N 0 3 354.454 4.094 20 5 FIBDHN Cc1ccc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c(CN(C)C)c1 ZINC000505656512 1089514124 /nfs/dbraw/zinc/51/41/24/1089514124.db2.gz KZHIVFSREGOVES-CQSZACIVSA-N 0 3 373.478 4.084 20 5 FIBDHN COc1cccc(NC[C@H](c2ccc(SC)cc2)N(C)C)c1[N+](=O)[O-] ZINC000549282274 1089546863 /nfs/dbraw/zinc/54/68/63/1089546863.db2.gz HEUWOASHOYTIRZ-MRXNPFEDSA-N 0 3 361.467 4.040 20 5 FIBDHN C[C@@H](N[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)c1cnn(C)c1 ZINC000163824629 1089962571 /nfs/dbraw/zinc/96/25/71/1089962571.db2.gz VEOKCGWFJSLVJB-CHWSQXEVSA-N 0 3 356.451 4.469 20 5 FIBDHN C[C@@H](N[C@H](c1ccccc1)C1CCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000104701032 1090309688 /nfs/dbraw/zinc/30/96/88/1090309688.db2.gz RULFIVAEBHFLIW-AUUYWEPGSA-N 0 3 353.422 4.053 20 5 FIBDHN COc1ccc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1OC ZINC000417295521 1090795178 /nfs/dbraw/zinc/79/51/78/1090795178.db2.gz DYTIDQGVQPOAPG-SFHVURJKSA-N 0 3 356.422 4.169 20 5 FIBDHN COCc1cc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)ccc1F ZINC000417318875 1090810996 /nfs/dbraw/zinc/81/09/96/1090810996.db2.gz ZMMRKYUACLXLSI-FQEVSTJZSA-N 0 3 358.413 4.438 20 5 FIBDHN CN(C)[C@H]1CCOc2c(Nc3nc4ccccc4cc3[N+](=O)[O-])cccc21 ZINC000432946899 1092981652 /nfs/dbraw/zinc/98/16/52/1092981652.db2.gz YNXGFFCIUFXANN-KRWDZBQOSA-N 0 3 364.405 4.272 20 5 FIBDHN CCc1ccc([C@H]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)cc1 ZINC000433057245 1093174740 /nfs/dbraw/zinc/17/47/40/1093174740.db2.gz KPBWRVNBHJZJQG-INIZCTEOSA-N 0 3 351.406 4.288 20 5 FIBDHN O=[N+]([O-])c1cccc([C@H](NCC2(CO)CC3(CCC3)C2)c2ccccc2)c1 ZINC000433056563 1093175159 /nfs/dbraw/zinc/17/51/59/1093175159.db2.gz IEHGZYOXHFAPAS-HXUWFJFHSA-N 0 3 366.461 4.217 20 5 FIBDHN CC(=O)Nc1ccc(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433134587 1093315102 /nfs/dbraw/zinc/31/51/02/1093315102.db2.gz RKUUNQFRWWWDPL-IBGZPJMESA-N 0 3 353.422 4.065 20 5 FIBDHN CC1(C)C[C@@H](NCc2ccc3c(c2)OCCCO3)c2cc([N+](=O)[O-])ccc21 ZINC000433159462 1093350849 /nfs/dbraw/zinc/35/08/49/1093350849.db2.gz DOYIPYVMCJBXJO-GOSISDBHSA-N 0 3 368.433 4.268 20 5 FIBDHN CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419325691 1093635637 /nfs/dbraw/zinc/63/56/37/1093635637.db2.gz LIYIVCCLLKWOPN-JKSUJKDBSA-N 0 3 358.442 4.291 20 5 FIBDHN CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419325689 1093635840 /nfs/dbraw/zinc/63/58/40/1093635840.db2.gz LIYIVCCLLKWOPN-HOTGVXAUSA-N 0 3 358.442 4.291 20 5 FIBDHN C[C@H](N[C@@H](C)c1ccc(C2CC2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000419344865 1093711880 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FIBDHN CN(Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000506207820 1100597217 /nfs/dbraw/zinc/59/72/17/1100597217.db2.gz SSBFFLVCRDOPOZ-HNNXBMFYSA-N 0 3 362.426 4.464 20 5 FIBDHN C[C@H](c1cccc2ccccc21)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000518579673 1101307790 /nfs/dbraw/zinc/30/77/90/1101307790.db2.gz MDSYMMRXFCHBEG-MRXNPFEDSA-N 0 3 362.433 4.026 20 5 FIBDHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000537069605 1101436878 /nfs/dbraw/zinc/43/68/78/1101436878.db2.gz YRGYDMPUEDTYAC-AWEZNQCLSA-N 0 3 370.384 4.074 20 5 FIBDHN Cc1cccc([C@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1C ZINC000537086657 1101453119 /nfs/dbraw/zinc/45/31/19/1101453119.db2.gz FQSGQUNKKLQOFN-JKSUJKDBSA-N 0 3 355.438 4.198 20 5 FIBDHN CC(C)N(Cc1cn(C)nc1-c1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000537164603 1101511406 /nfs/dbraw/zinc/51/14/06/1101511406.db2.gz QGZDFWTXODTBAO-UHFFFAOYSA-N 0 3 364.449 4.406 20 5 FIBDHN Cc1ccccc1[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000537292505 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350.365 4.398 20 5 FIBDHN Cc1c(NC(=O)[C@H](C)N[C@H](c2ccccc2)C2CCC2)cccc1[N+](=O)[O-] ZINC000532701769 1102996749 /nfs/dbraw/zinc/99/67/49/1102996749.db2.gz USJQNVAFLLGYEM-MGPUTAFESA-N 0 3 367.449 4.361 20 5 FIBDHN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C1CC1 ZINC000507123544 1103130461 /nfs/dbraw/zinc/13/04/61/1103130461.db2.gz ZNRAWXNYMGMYTE-UHFFFAOYSA-N 0 3 351.200 4.212 20 5 FIBDHN COc1ccc(OCCN2C[C@H](C)C[C@@H]2c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000441338168 1104282310 /nfs/dbraw/zinc/28/23/10/1104282310.db2.gz SHXVDYDTCUTSQQ-RDTXWAMCSA-N 0 3 374.412 4.204 20 5 FIBDHN COc1cc(CN(C)[C@@H]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000520525565 1104975512 /nfs/dbraw/zinc/97/55/12/1104975512.db2.gz QQEGRMZFGAAOPV-WCQYABFASA-N 0 3 358.385 4.215 20 5 FIBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000184840756 1105224424 /nfs/dbraw/zinc/22/44/24/1105224424.db2.gz FASFNDJTEQOIRH-SFHVURJKSA-N 0 3 369.465 4.172 20 5 FIBDHN CCC(=O)Nc1cccc(CNC/C(C)=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000530326467 1106969912 /nfs/dbraw/zinc/96/99/12/1106969912.db2.gz QUNCAWCVXOFZBO-XNTDXEJSSA-N 0 3 353.422 4.136 20 5 FIBDHN Cc1cccc([N+](=O)[O-])c1NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000530378636 1106993237 /nfs/dbraw/zinc/99/32/37/1106993237.db2.gz MLQVFPSPDDUVSU-UHFFFAOYSA-N 0 3 357.376 4.120 20 5 FIBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](CC(C)(C)C)C1 ZINC000452078949 1107461397 /nfs/dbraw/zinc/46/13/97/1107461397.db2.gz MPQJEPUSCJAMJK-KBPBESRZSA-N 0 3 358.442 4.464 20 5 FIBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)[C@@H](C)Cc1ccc(O)cc1 ZINC001168135011 1107488293 /nfs/dbraw/zinc/48/82/93/1107488293.db2.gz UGGQEDIPZVOQQE-HNNXBMFYSA-N 0 3 358.438 4.151 20 5 FIBDHN CCC[C@H](NCc1ccc(Cn2ccnc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000152108603 1108712003 /nfs/dbraw/zinc/71/20/03/1108712003.db2.gz NVIZTWICKVFYQQ-NRFANRHFSA-N 0 3 364.449 4.471 20 5 FIBDHN COc1ccc(OCCN(C)[C@H](C)c2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000441252266 1109529795 /nfs/dbraw/zinc/52/97/95/1109529795.db2.gz ATMHXBOEUWUZFL-CQSZACIVSA-N 0 3 370.405 4.421 20 5 FIBDHN CC[C@@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)OCCO2 ZINC000447546450 1109575098 /nfs/dbraw/zinc/57/50/98/1109575098.db2.gz WAGCQGSBLBPLAD-MOPGFXCFSA-N 0 3 368.433 4.484 20 5 FIBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2ccc(-c3ccccc3)o2)n1 ZINC000447564578 1109583720 /nfs/dbraw/zinc/58/37/20/1109583720.db2.gz XWRWELNJWJMSQA-QZTJIDSGSA-N 0 3 366.421 4.325 20 5 FIBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](C)c1cc2ccccc2o1 ZINC000237497432 1109997076 /nfs/dbraw/zinc/99/70/76/1109997076.db2.gz YFCMBWCAUDOTKR-ZIAGYGMSSA-N 0 3 367.405 4.409 20 5 FIBDHN COC[C@H]1CCCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000538729769 1111266569 /nfs/dbraw/zinc/26/65/69/1111266569.db2.gz SUJHRZMEIXQNBW-SFHVURJKSA-N 0 3 369.465 4.221 20 5 FIBDHN COc1ccc(CN2CCC2(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538736241 1111270781 /nfs/dbraw/zinc/27/07/81/1111270781.db2.gz LFRTXTAUWZUMGL-UHFFFAOYSA-N 0 3 356.422 4.167 20 5 FIBDHN C[C@@H](N[C@@H](CO)CC(F)(F)F)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000539054856 1111402499 /nfs/dbraw/zinc/40/24/99/1111402499.db2.gz UFCMRFGUPXURQW-GHMZBOCLSA-N 0 3 374.384 4.287 20 5 FIBDHN COc1cc2c(cc1OC)[C@@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000479384454 1112006158 /nfs/dbraw/zinc/00/61/58/1112006158.db2.gz DDLKPNQZSXHGSA-DYVFJYSZSA-N 0 3 356.422 4.259 20 5 FIBDHN C[C@@H](N[C@@H](C)CCc1ccccc1[N+](=O)[O-])c1nccn1-c1ccccc1 ZINC000554373286 1112324375 /nfs/dbraw/zinc/32/43/75/1112324375.db2.gz FJXWQVXTGQQPHF-DLBZAZTESA-N 0 3 364.449 4.452 20 5 FIBDHN CC[C@H](N[C@H](CN1CCCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000480278553 1112370780 /nfs/dbraw/zinc/37/07/80/1112370780.db2.gz PAHYEOBISPWQIK-LEWJYISDSA-N 0 3 353.466 4.473 20 5 FIBDHN CCC[C@H](NCc1ccc(N(CC)CC)nc1)c1cccc([N+](=O)[O-])c1 ZINC000480894133 1112659350 /nfs/dbraw/zinc/65/93/50/1112659350.db2.gz DMIXYEXQIOCOKZ-IBGZPJMESA-N 0 3 356.470 4.467 20 5 FIBDHN Cc1ccc([C@@H]2C[C@@H](C)N(Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)cc1 ZINC000490077280 1114214106 /nfs/dbraw/zinc/21/41/06/1114214106.db2.gz DIOOLVVACPLTBJ-GDBMZVCRSA-N 0 3 351.406 4.422 20 5 FIBDHN Cc1ccc([C@H]2C[C@@H](C)N(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)cc1 ZINC000490083930 1114216591 /nfs/dbraw/zinc/21/65/91/1114216591.db2.gz VECSPTUTRZSQDP-WBVHZDCISA-N 0 3 368.433 4.148 20 5 FIBDHN CCC[C@@H](NCc1cccc(N2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000571466971 1114466343 /nfs/dbraw/zinc/46/63/43/1114466343.db2.gz LJHWNTDMSMJVOY-OAQYLSRUSA-N 0 3 369.465 4.062 20 5 FIBDHN CCCCN(Cc1csc([N+](=O)[O-])c1)[C@H]1CCc2ncsc2C1 ZINC000592187201 1115220251 /nfs/dbraw/zinc/22/02/51/1115220251.db2.gz ICLGUJGVZGOPCY-ZDUSSCGKSA-N 0 3 351.497 4.272 20 5 FIBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000595049215 1115512037 /nfs/dbraw/zinc/51/20/37/1115512037.db2.gz HGPZNKFFEPIAHY-LSBZLQRGSA-N 0 3 356.422 4.174 20 5 FIBDHN O=[N+]([O-])c1cc(F)ccc1CN[C@H](CN1CCCCC1)c1ccccc1 ZINC000595425706 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Cc1ccccc1O[C@@H](C)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000462735404 1117741849 /nfs/dbraw/zinc/74/18/49/1117741849.db2.gz DCLNTCDOYPBZML-ZDUSSCGKSA-N 0 3 366.364 4.062 20 5 FIBDHN Cc1ccc([C@H](C)NCCOc2cccc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000540151282 1117906126 /nfs/dbraw/zinc/90/61/26/1117906126.db2.gz MFGLPGAYUKKTNX-LBPRGKRZSA-N 0 3 369.343 4.047 20 5 FIBDHN CCOc1ccc([C@@H](C)NCCOc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000540170067 1117911713 /nfs/dbraw/zinc/91/17/13/1117911713.db2.gz VSOBIANJYSSDGF-GFCCVEGCSA-N 0 3 366.364 4.001 20 5 FIBDHN C[C@@H]1C[C@@H]1[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000540522497 1118106410 /nfs/dbraw/zinc/10/64/10/1118106410.db2.gz SXUQKVJBFSSEMJ-XFHNUULXSA-N 0 3 373.840 4.174 20 5 FIBDHN C[C@@H]1C[C@H]1[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000540522496 1118106693 /nfs/dbraw/zinc/10/66/93/1118106693.db2.gz SXUQKVJBFSSEMJ-PEELUZDISA-N 0 3 373.840 4.174 20 5 FIBDHN O=[N+]([O-])c1ccccc1CN1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000540866508 1118285534 /nfs/dbraw/zinc/28/55/34/1118285534.db2.gz VSLSOSTXJNULTG-QGZVFWFLSA-N 0 3 369.469 4.140 20 5 FIBDHN COc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541701959 1118616937 /nfs/dbraw/zinc/61/69/37/1118616937.db2.gz ZTWZRZBPLQGYGD-PXNSSMCTSA-N 0 3 374.412 4.095 20 5 FIBDHN CCS[C@H]1CC[C@@H](N(C)Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000464780447 1118692365 /nfs/dbraw/zinc/69/23/65/1118692365.db2.gz SUFHBRFYLZMNSO-WBVHZDCISA-N 0 3 352.500 4.488 20 5 FIBDHN CCOc1cc(CN[C@@H](C)c2cccc(N3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000492777058 1119186040 /nfs/dbraw/zinc/18/60/40/1119186040.db2.gz WZMREOPQLJXEMX-INIZCTEOSA-N 0 3 369.465 4.445 20 5 FIBDHN C[C@@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])c1nc2c(s1)CCCC2 ZINC000495421008 1120807196 /nfs/dbraw/zinc/80/71/96/1120807196.db2.gz MXAIFUDUYRVIAO-LLVKDONJSA-N 0 3 365.886 4.477 20 5 FIBDHN O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)c(Cl)c1 ZINC000326406445 1121160371 /nfs/dbraw/zinc/16/03/71/1121160371.db2.gz IXTSMUQFNVYLAJ-NXHRZFHOSA-N 0 3 352.862 4.154 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](c1ccccc1)C1CCCC1 ZINC000553285265 1122058885 /nfs/dbraw/zinc/05/88/85/1122058885.db2.gz SMCABMZHAXIRKR-OAQYLSRUSA-N 0 3 367.449 4.363 20 5 FIBDHN CC(C)c1ccc(CN2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1[N+](=O)[O-] ZINC000557027669 1123322159 /nfs/dbraw/zinc/32/21/59/1123322159.db2.gz SPWUHAMQOWDMGD-MRXNPFEDSA-N 0 3 369.469 4.093 20 5 FIBDHN C[C@@H](CCc1ccco1)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000609598493 1123769675 /nfs/dbraw/zinc/76/96/75/1123769675.db2.gz RZPNBRSZBDRTRJ-ZDUSSCGKSA-N 0 3 357.435 4.422 20 5 FIBDHN O=[N+]([O-])c1ccc(OCCCN2CCS[C@H](c3ccccc3)C2)cc1 ZINC000609800965 1123839966 /nfs/dbraw/zinc/83/99/66/1123839966.db2.gz YCNJHRSWIWOITO-IBGZPJMESA-N 0 3 358.463 4.154 20 5 FIBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNCc2cccc(CO)c2)s1 ZINC000237988344 1124229216 /nfs/dbraw/zinc/22/92/16/1124229216.db2.gz HZJWQFXACRKHJS-UHFFFAOYSA-N 0 3 354.431 4.105 20 5 FIBDHN CC[C@]1(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCOC1 ZINC000616487702 1124334431 /nfs/dbraw/zinc/33/44/31/1124334431.db2.gz HCYZKXJMBDIUCH-KRWDZBQOSA-N 0 3 350.802 4.167 20 5 FIBDHN Cc1nccn1-c1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)cc1F ZINC000153714429 1124361904 /nfs/dbraw/zinc/36/19/04/1124361904.db2.gz WWPUKHMXGZYYDR-CQSZACIVSA-N 0 3 368.412 4.387 20 5 FIBDHN CC[C@H](NCc1ccc(-n2ccnc2C)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000153721388 1124367369 /nfs/dbraw/zinc/36/73/69/1124367369.db2.gz ZIOKTZSMNMXWBK-IBGZPJMESA-N 0 3 368.412 4.469 20 5 FIBDHN CN(C)Cc1ccnc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000181526782 1125000167 /nfs/dbraw/zinc/00/01/67/1125000167.db2.gz VUUINIJFIJSSOJ-UHFFFAOYSA-N 0 3 368.462 4.392 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000182164646 1125269366 /nfs/dbraw/zinc/26/93/66/1125269366.db2.gz GJHCJYQYOUVOEG-GESALYCCSA-N 0 3 362.376 4.362 20 5 FIBDHN Cc1ccc([C@H](C)N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000182344902 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JGNYYEVOFYWQKP-APWZRJJASA-N 0 3 357.454 4.292 20 5 FIBDHN CC[C@@H](NC[C@@H](c1ccc(C)o1)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000482016279 568230763 /nfs/dbraw/zinc/23/07/63/568230763.db2.gz LGDJWNKBRFLMRH-MOPGFXCFSA-N 0 3 357.454 4.374 20 5 FIBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NCc1cc(-c2ccccc2)on1 ZINC000482035635 568235196 /nfs/dbraw/zinc/23/51/96/568235196.db2.gz BAIWOPYZGSGCIN-HNNXBMFYSA-N 0 3 351.406 4.361 20 5 FIBDHN CC[C@H](C)N[C@H](CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)c1ccco1 ZINC000482050105 568239317 /nfs/dbraw/zinc/23/93/17/568239317.db2.gz OZNICYHPLIDITG-GOEBONIOSA-N 0 3 374.441 4.056 20 5 FIBDHN COc1cc(CN[C@@H]2CC[C@H](c3ccccc3)C[C@H]2OC)ccc1[N+](=O)[O-] ZINC000570650052 568493724 /nfs/dbraw/zinc/49/37/24/568493724.db2.gz SNIFSZNQHAFVRW-NLWGTHIKSA-N 0 3 370.449 4.044 20 5 FIBDHN CC[C@@H]1CCN1Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000430207325 1079944604 /nfs/dbraw/zinc/94/46/04/1079944604.db2.gz QOBFPZNPQVGPRI-QGZVFWFLSA-N 0 3 356.422 4.167 20 5 FIBDHN O=[N+]([O-])c1cccc(OCCNC2(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000477511457 1082898076 /nfs/dbraw/zinc/89/80/76/1082898076.db2.gz IDWBNFSSMVLKTM-UHFFFAOYSA-N 0 3 366.339 4.271 20 5 FIBDHN Cc1ccccc1C[C@@H]1CCCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581841 1083214242 /nfs/dbraw/zinc/21/42/42/1083214242.db2.gz RUNRXQKNFJYRLI-INIZCTEOSA-N 0 3 351.406 4.252 20 5 FIBDHN Cc1ccc([C@@H](C)N[C@H](Cc2nccn2C)c2ccccc2)cc1[N+](=O)[O-] ZINC000610827836 1083744082 /nfs/dbraw/zinc/74/40/82/1083744082.db2.gz CSZYGYBBVZHJNN-VQIMIIECSA-N 0 3 364.449 4.271 20 5 FIBDHN CC(C)N(CCn1cc([N+](=O)[O-])cn1)Cc1ccc(Cl)c(Cl)c1 ZINC000472455325 1083969542 /nfs/dbraw/zinc/96/95/42/1083969542.db2.gz UEMDFTQKWPTCEH-UHFFFAOYSA-N 0 3 357.241 4.009 20 5 FIBDHN Cc1cnc(CCN(C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)s1 ZINC000180058261 1084208078 /nfs/dbraw/zinc/20/80/78/1084208078.db2.gz CJBOLRJBVMRFOQ-UHFFFAOYSA-N 0 3 357.435 4.294 20 5 FIBDHN CC[C@@H](N[C@@H](C)c1cccc(N2CCOC2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000157044915 1084305012 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368.481 4.300 20 5 FIBDHN C[C@@H](N[C@@H]1c2ccccc2CC12CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000290195752 1085008933 /nfs/dbraw/zinc/00/89/33/1085008933.db2.gz SQMNHSBUYYLSDJ-FOIQADDNSA-N 0 3 352.434 4.340 20 5 FIBDHN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000178645379 1085553727 /nfs/dbraw/zinc/55/37/27/1085553727.db2.gz QBVDWKOFMTVAMY-KGLIPLIRSA-N 0 3 368.437 4.291 20 5 FIBDHN O=[N+]([O-])c1cnn(CCN2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000472252736 1085616996 /nfs/dbraw/zinc/61/69/96/1085616996.db2.gz WHYPTTKRFOHNKG-INIZCTEOSA-N 0 3 368.359 4.037 20 5 FIBDHN C[C@H](NCc1cc(N(C)C)nc2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000178660828 1085678945 /nfs/dbraw/zinc/67/89/45/1085678945.db2.gz FNTKYHPSMBHAAD-AWEZNQCLSA-N 0 3 350.422 4.060 20 5 FIBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCc1ccc(OCC(F)(F)F)cc1 ZINC000584301684 1087254580 /nfs/dbraw/zinc/25/45/80/1087254580.db2.gz AQABGCBPYQIYJH-INIZCTEOSA-N 0 3 366.339 4.313 20 5 FIBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCc3ccc(OC(F)(F)F)cc32)cc1 ZINC000180417196 1087899567 /nfs/dbraw/zinc/89/95/67/1087899567.db2.gz OGPCGBZGTVQDRA-MRXNPFEDSA-N 0 3 352.312 4.271 20 5 FIBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1cn2ccc(C)cc2n1 ZINC000504911517 1087979750 /nfs/dbraw/zinc/97/97/50/1087979750.db2.gz HPXQHRCIRUNXLF-HNNXBMFYSA-N 0 3 370.478 4.211 20 5 FIBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1cn2ccc(C)cc2n1 ZINC000504911518 1087980449 /nfs/dbraw/zinc/98/04/49/1087980449.db2.gz HPXQHRCIRUNXLF-OAHLLOKOSA-N 0 3 370.478 4.211 20 5 FIBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1cn2cc(C)ccc2n1 ZINC000504917431 1087984658 /nfs/dbraw/zinc/98/46/58/1087984658.db2.gz BSJTZWOTDQPCTQ-OAHLLOKOSA-N 0 3 370.478 4.211 20 5 FIBDHN CC(C)c1nnc(CN[C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])s1 ZINC000513827120 1088425491 /nfs/dbraw/zinc/42/54/91/1088425491.db2.gz JJHFTUNCWDCLDW-DZGCQCFKSA-N 0 3 360.483 4.071 20 5 FIBDHN CCS[C@@H]1CCCC[C@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000189496177 1088485680 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20 5 FIBDHN CCC[C@@H](N[C@H](CCO)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000120271049 1090677181 /nfs/dbraw/zinc/67/71/81/1090677181.db2.gz VQYMNWFRXPQDOV-WOJBJXKFSA-N 0 3 358.438 4.158 20 5 FIBDHN C[C@H](N[C@H]1CCCCc2ccc([N+](=O)[O-])cc21)c1ccc([S@@](C)=O)cc1 ZINC000417308597 1090801652 /nfs/dbraw/zinc/80/16/52/1090801652.db2.gz HTJAPJARMAYCLD-BOEYOXHFSA-N 0 3 372.490 4.451 20 5 FIBDHN O=[N+]([O-])c1cccc([C@@H](NCC2(CO)CC3(CCC3)C2)c2ccccc2)c1 ZINC000433056561 1093174629 /nfs/dbraw/zinc/17/46/29/1093174629.db2.gz IEHGZYOXHFAPAS-FQEVSTJZSA-N 0 3 366.461 4.217 20 5 FIBDHN Cc1ccc(OC2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)cc1C ZINC000522269011 1093254656 /nfs/dbraw/zinc/25/46/56/1093254656.db2.gz NCHBHROZMQFALK-UHFFFAOYSA-N 0 3 354.450 4.298 20 5 FIBDHN CC1(C)C[C@@H](N[C@@H](CCCO)c2ccccc2)c2cc([N+](=O)[O-])ccc21 ZINC000433277856 1093519521 /nfs/dbraw/zinc/51/95/21/1093519521.db2.gz BJMQIHGSDPAPEY-VQTJNVASSA-N 0 3 354.450 4.421 20 5 FIBDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(C2CC2)cc1 ZINC000419344866 1093711778 /nfs/dbraw/zinc/71/17/78/1093711778.db2.gz SKRBNRLOIMGUSO-KGLIPLIRSA-N 0 3 353.422 4.150 20 5 FIBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN([C@@H](C)c1ccco1)C1CC1 ZINC000086234964 1093894401 /nfs/dbraw/zinc/89/44/01/1093894401.db2.gz PNYGBLRTTGCPRR-AWEZNQCLSA-N 0 3 357.410 4.050 20 5 FIBDHN Cc1cccc(C2=CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000500976220 1093900804 /nfs/dbraw/zinc/90/08/04/1093900804.db2.gz IVYCDUFDKQETLM-UHFFFAOYSA-N 0 3 365.433 4.021 20 5 FIBDHN O=[N+]([O-])c1ccc2[nH]c(CNC3CC(c4ccccc4Cl)C3)nc2c1 ZINC000513271042 1094042314 /nfs/dbraw/zinc/04/23/14/1094042314.db2.gz IYBYUVAOSGYIRK-UHFFFAOYSA-N 0 3 356.813 4.160 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000182832374 1094173951 /nfs/dbraw/zinc/17/39/51/1094173951.db2.gz JIKMPDFIXBOWQE-APWZRJJASA-N 0 3 362.470 4.014 20 5 FIBDHN O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H]3CCC(F)(F)C3)cs2)c1 ZINC000430022644 1094191688 /nfs/dbraw/zinc/19/16/88/1094191688.db2.gz VGTMCZCZHNKUNN-LLVKDONJSA-N 0 3 353.394 4.243 20 5 FIBDHN Cn1cc2c(n1)CCC[C@H]2NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000509945393 1094715355 /nfs/dbraw/zinc/71/53/55/1094715355.db2.gz SIOHQAOJKGDKII-QGZVFWFLSA-N 0 3 368.462 4.224 20 5 FIBDHN CCOc1ccc([C@H](C)N[C@H]2CCCc3cc(N)ccc32)cc1[N+](=O)[O-] ZINC000423358970 1096655858 /nfs/dbraw/zinc/65/58/58/1096655858.db2.gz UPSCBQHOUQVKEQ-UGSOOPFHSA-N 0 3 355.438 4.304 20 5 FIBDHN CCOc1ccc([C@@H](C)NCc2cccc3c2CCCN3)cc1[N+](=O)[O-] ZINC000423409483 1096675016 /nfs/dbraw/zinc/67/50/16/1096675016.db2.gz BSAYXOHLGXQJHO-CQSZACIVSA-N 0 3 355.438 4.202 20 5 FIBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)c1ccncc1OC ZINC000437071907 1099590683 /nfs/dbraw/zinc/59/06/83/1099590683.db2.gz IZGUOVIVFRAJHZ-KBPBESRZSA-N 0 3 361.467 4.220 20 5 FIBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC2(CC1)OCCc1ccccc12 ZINC000459509155 1100263017 /nfs/dbraw/zinc/26/30/17/1100263017.db2.gz BQZVLEQVSHYSKB-INIZCTEOSA-N 0 3 352.434 4.220 20 5 FIBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1ccc(C2CC2)cc1F ZINC000425922449 1100263781 /nfs/dbraw/zinc/26/37/81/1100263781.db2.gz KEAUYHWPWXJEFN-ZDUSSCGKSA-N 0 3 371.412 4.118 20 5 FIBDHN COC1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000506283468 1100774021 /nfs/dbraw/zinc/77/40/21/1100774021.db2.gz VSBIVXGBNFJXHL-UHFFFAOYSA-N 0 3 350.802 4.119 20 5 FIBDHN COc1ccc(CNCCOc2ccccc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000518285478 1101067993 /nfs/dbraw/zinc/06/79/93/1101067993.db2.gz NCSROIKNMVNSHR-UHFFFAOYSA-N 0 3 358.438 4.070 20 5 FIBDHN Cc1ccccc1OCCCNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000518776584 1101539778 /nfs/dbraw/zinc/53/97/78/1101539778.db2.gz HDPWUKMAIODFSY-UHFFFAOYSA-N 0 3 366.364 4.063 20 5 FIBDHN CCN1CCN(c2ccc(N[C@@H](C)c3ccc([N+](=O)[O-])cc3)c(C)c2)CC1 ZINC000537408133 1101754483 /nfs/dbraw/zinc/75/44/83/1101754483.db2.gz RPDFYQLHWCDGNF-KRWDZBQOSA-N 0 3 368.481 4.218 20 5 FIBDHN CCN1CCN(c2ccccc2N[C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000537445476 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IPISBJGBVWPOGS-NRFANRHFSA-N 0 3 362.433 4.007 20 5 FIBDHN CCOC(=O)CC1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000507308629 1103284651 /nfs/dbraw/zinc/28/46/51/1103284651.db2.gz FEOGDHRLNSOAIX-UHFFFAOYSA-N 0 3 372.421 4.020 20 5 FIBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccc(-n3ccnc3)c(F)c1)CCC2 ZINC000192732227 1103323595 /nfs/dbraw/zinc/32/35/95/1103323595.db2.gz OHYQSSNPMFLNAH-IBGZPJMESA-N 0 3 366.396 4.087 20 5 FIBDHN O=[N+]([O-])c1ccc(OCCN[C@@H](CC(F)(F)F)c2ccccc2)cc1 ZINC000538178029 1104011591 /nfs/dbraw/zinc/01/15/91/1104011591.db2.gz NXERKOSOAGBPQL-INIZCTEOSA-N 0 3 354.328 4.257 20 5 FIBDHN C[C@]1(O)CCCC[C@H]1[C@H]1CCCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000450958330 1106844388 /nfs/dbraw/zinc/84/43/88/1106844388.db2.gz MVSKJDFDIGYJGA-QGTPRVQTSA-N 0 3 352.862 4.154 20 5 FIBDHN CN(C)c1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cn1 ZINC000523106831 1107819315 /nfs/dbraw/zinc/81/93/15/1107819315.db2.gz ROHQQWQQBUQMRX-UHFFFAOYSA-N 0 3 368.462 4.074 20 5 FIBDHN CCOC(=O)[C@H]1CC[C@@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000453231785 1108308274 /nfs/dbraw/zinc/30/82/74/1108308274.db2.gz UFCLNNNOOMTRJJ-PNHOKKKMSA-N 0 3 368.433 4.427 20 5 FIBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCC2(CC1)OCCc1ccccc12 ZINC000453569480 1108603494 /nfs/dbraw/zinc/60/34/94/1108603494.db2.gz ALBQAXYLMHMLRM-YVMONPNESA-N 0 3 364.445 4.172 20 5 FIBDHN COc1cc(C[NH2+]CCCc2ccc(C(C)C)cc2)c([N+](=O)[O-])cc1[O-] ZINC000524197132 1108909706 /nfs/dbraw/zinc/90/97/06/1108909706.db2.gz CFPOEBLZCWWYRP-UHFFFAOYSA-N 0 3 358.438 4.155 20 5 FIBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(Oc2ccncc2C)CC1 ZINC000447058391 1109425856 /nfs/dbraw/zinc/42/58/56/1109425856.db2.gz HPTBCSUZFIFJTA-VBKFSLOCSA-N 0 3 367.449 4.245 20 5 FIBDHN O=[N+]([O-])c1cccc(-c2nc(CNCCCC3CCOCC3)cs2)c1 ZINC000449354593 1110047825 /nfs/dbraw/zinc/04/78/25/1110047825.db2.gz PIVODRWMRBRVON-UHFFFAOYSA-N 0 3 361.467 4.015 20 5 FIBDHN Cc1cccnc1CCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449483565 1110088982 /nfs/dbraw/zinc/08/89/82/1110088982.db2.gz JNKQPUZBJZBOMP-UHFFFAOYSA-N 0 3 368.462 4.144 20 5 FIBDHN C[C@H](O)C[C@H]1CCCN1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000538727237 1111265071 /nfs/dbraw/zinc/26/50/71/1111265071.db2.gz BOIOMEAJFAEFDL-WMLDXEAASA-N 0 3 374.412 4.262 20 5 FIBDHN CCOC[C@H]1CCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000538761535 1111289272 /nfs/dbraw/zinc/28/92/72/1111289272.db2.gz JWAWCIFNMPXZCP-SFHVURJKSA-N 0 3 369.465 4.221 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1cccc(OCC(F)F)c1 ZINC000539081332 1111424760 /nfs/dbraw/zinc/42/47/60/1111424760.db2.gz ZMTOGLYLVATIOU-ZDUSSCGKSA-N 0 3 350.365 4.398 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](c1ccccc1C)C(C)C ZINC000539259902 1111498069 /nfs/dbraw/zinc/49/80/69/1111498069.db2.gz DFOOWZFYXRDYNZ-FQEVSTJZSA-N 0 3 355.438 4.137 20 5 FIBDHN CC(=O)c1cc(NCc2ccccc2CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000552903890 1111849468 /nfs/dbraw/zinc/84/94/68/1111849468.db2.gz GMYDEQUWQIAJLT-UHFFFAOYSA-N 0 3 367.449 4.395 20 5 FIBDHN Cc1ccc([C@H](C)N[C@H](CN2CCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000480282585 1112372873 /nfs/dbraw/zinc/37/28/73/1112372873.db2.gz XLMXYIKAELHJDX-FXAWDEMLSA-N 0 3 353.466 4.391 20 5 FIBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](CC1CCC1)c1ccccc1 ZINC000481257030 1112828284 /nfs/dbraw/zinc/82/82/84/1112828284.db2.gz MXAWYDRKTLWXCZ-SFHVURJKSA-N 0 3 367.449 4.363 20 5 FIBDHN CSCc1cnc(CNCCCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000555552825 1112921463 /nfs/dbraw/zinc/92/14/63/1112921463.db2.gz URWHPMNWYPNJGB-UHFFFAOYSA-N 0 3 351.497 4.027 20 5 FIBDHN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C[C@@H]1CCCO1 ZINC000482302982 1113220761 /nfs/dbraw/zinc/22/07/61/1113220761.db2.gz ZVWNXQAYQIPUKC-ZDUSSCGKSA-N 0 3 350.802 4.119 20 5 FIBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000488044515 1113846197 /nfs/dbraw/zinc/84/61/97/1113846197.db2.gz PWQVIAGKIKJFPO-HZPDHXFCSA-N 0 3 353.422 4.007 20 5 FIBDHN CN(C)Cc1ccccc1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000488340638 1113911418 /nfs/dbraw/zinc/91/14/18/1113911418.db2.gz SMHCNZOAHNCPPP-UHFFFAOYSA-N 0 3 355.438 4.206 20 5 FIBDHN O=[N+]([O-])c1cc(CN2CCC[C@H]2CC2CCCCC2)c2c(c1)COCO2 ZINC000488406037 1113920566 /nfs/dbraw/zinc/92/05/66/1113920566.db2.gz WKJRESVPVXXGKR-SFHVURJKSA-N 0 3 360.454 4.396 20 5 FIBDHN CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])[n-]1 ZINC000488465574 1113937418 /nfs/dbraw/zinc/93/74/18/1113937418.db2.gz OQCXOGPXHMWQOL-LJIGWXMPSA-N 0 3 371.485 4.288 20 5 FIBDHN Cc1c([C@H](C)NCc2ccc(N3CCCCC3=O)cc2)cccc1[N+](=O)[O-] ZINC000151047267 1114281372 /nfs/dbraw/zinc/28/13/72/1114281372.db2.gz TWPQQTLFPVBNBH-INIZCTEOSA-N 0 3 367.449 4.271 20 5 FIBDHN CC[C@@H]1c2ccsc2CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000164797905 1114585361 /nfs/dbraw/zinc/58/53/61/1114585361.db2.gz ZLRZNQKDKJPUFP-QGZVFWFLSA-N 0 3 373.478 4.303 20 5 FIBDHN O=[N+]([O-])c1cc2c(cc1CN[C@H]1C[C@H](c3ccccc3Cl)C1)OCCO2 ZINC000590196050 1114906238 /nfs/dbraw/zinc/90/62/38/1114906238.db2.gz MCTVEPHOKQIJBT-MQMHXKEQSA-N 0 3 374.824 4.055 20 5 FIBDHN COc1cncc(/C=C/CCN(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000574515297 1115416842 /nfs/dbraw/zinc/41/68/42/1115416842.db2.gz VRWUFGWOAKYONI-GQCTYLIASA-N 0 3 353.422 4.066 20 5 FIBDHN Cc1cc(C)n(-c2ccccc2CN[C@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000594502509 1115451420 /nfs/dbraw/zinc/45/14/20/1115451420.db2.gz JQBCDLJQOBYYDC-IBGZPJMESA-N 0 3 362.433 4.174 20 5 FIBDHN COc1ccc([C@H](OC)[C@H](C)N[C@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595027821 1115510199 /nfs/dbraw/zinc/51/01/99/1115510199.db2.gz TYYJIVZTAYULAW-LAPQFRIASA-N 0 3 374.437 4.039 20 5 FIBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000595045783 1115511582 /nfs/dbraw/zinc/51/15/82/1115511582.db2.gz HGPZNKFFEPIAHY-POZUXBRTSA-N 0 3 356.422 4.174 20 5 FIBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCc1nsc2ccccc12 ZINC000595094520 1115517641 /nfs/dbraw/zinc/51/76/41/1115517641.db2.gz LDEMZODMEXLJAM-LBPRGKRZSA-N 0 3 357.435 4.106 20 5 FIBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](C2CCC2)C1 ZINC000595838768 1115563906 /nfs/dbraw/zinc/56/39/06/1115563906.db2.gz WATDTMOTTAKMJM-CZUORRHYSA-N 0 3 356.426 4.218 20 5 FIBDHN O=[N+]([O-])c1cc(CN(CCCO)[C@H]2CCc3ccccc32)ccc1Cl ZINC000761249156 1115701964 /nfs/dbraw/zinc/70/19/64/1115701964.db2.gz HLPSZYVWWXVMGT-SFHVURJKSA-N 0 3 360.841 4.120 20 5 FIBDHN COc1ccc(CN(C)CCCOc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000603867281 1115823692 /nfs/dbraw/zinc/82/36/92/1115823692.db2.gz OEEZHJAXAWMQBD-UHFFFAOYSA-N 0 3 364.829 4.158 20 5 FIBDHN COc1ccc(CN2CCC[C@@H](c3cc4ccccc4[nH]3)C2)cc1[N+](=O)[O-] ZINC000603889938 1115826650 /nfs/dbraw/zinc/82/66/50/1115826650.db2.gz GNDSAHZKXMOTNO-QGZVFWFLSA-N 0 3 365.433 4.464 20 5 FIBDHN C/C=C/C[C@@H]1CCCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000599689600 1115836321 /nfs/dbraw/zinc/83/63/21/1115836321.db2.gz JZYKUYLKBPCGIW-NMONBKHDSA-N 0 3 356.426 4.384 20 5 FIBDHN COc1ccccc1CN(CCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000604013538 1115840749 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C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@H](CO)c1cccc(Cl)c1F ZINC000467411865 1103835582 /nfs/dbraw/zinc/83/55/82/1103835582.db2.gz FTQBXMMACAJYLD-BLLLJJGKSA-N 0 3 366.820 4.032 20 5 FIBDHN CN(C)[C@H](CNCc1csc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000184530477 1104700574 /nfs/dbraw/zinc/70/05/74/1104700574.db2.gz NZUNHUZIJSAAHI-CQSZACIVSA-N 0 3 373.400 4.068 20 5 FIBDHN COc1cc(CN[C@@H]2CC2(C)C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000507930689 1105275092 /nfs/dbraw/zinc/27/50/92/1105275092.db2.gz MYOZFLWOXXNHHF-LJQANCHMSA-N 0 3 356.422 4.071 20 5 FIBDHN Cc1ccc(CN[C@H](c2ccccc2)C2(CO)CCCC2)cc1[N+](=O)[O-] ZINC000453597673 1108632375 /nfs/dbraw/zinc/63/23/75/1108632375.db2.gz DJEAXVDOJNWBMS-HXUWFJFHSA-N 0 3 354.450 4.287 20 5 FIBDHN CC1(C)C[C@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCO1 ZINC000453573525 1108635690 /nfs/dbraw/zinc/63/56/90/1108635690.db2.gz AANJWELFVFHDAH-CYBMUJFWSA-N 0 3 361.467 4.013 20 5 FIBDHN O=[N+]([O-])c1ccc(CNCCc2cccc(OCC(F)(F)F)c2)c(F)c1 ZINC000475641974 1109193514 /nfs/dbraw/zinc/19/35/14/1109193514.db2.gz UMEJVQSPVMJLBX-UHFFFAOYSA-N 0 3 372.318 4.007 20 5 FIBDHN COc1cc(CN2CCCC(C)(C)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000525638556 1109464281 /nfs/dbraw/zinc/46/42/81/1109464281.db2.gz QSNMWBBSZDHTDC-UHFFFAOYSA-N 0 3 358.385 4.217 20 5 FIBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2ccc(-c3ccccc3)o2)n1 ZINC000447564577 1109583403 /nfs/dbraw/zinc/58/34/03/1109583403.db2.gz XWRWELNJWJMSQA-MSOLQXFVSA-N 0 3 366.421 4.325 20 5 FIBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](C)c1cc2ccccc2s1 ZINC000526944815 1109646207 /nfs/dbraw/zinc/64/62/07/1109646207.db2.gz FFUJBBZDPFSAQI-CYBMUJFWSA-N 0 3 369.446 4.407 20 5 FIBDHN COc1ccc(CN2[C@@H](C)C[C@@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000527238485 1109719823 /nfs/dbraw/zinc/71/98/23/1109719823.db2.gz FOSJFZAUTNGYJW-GJZGRUSLSA-N 0 3 356.422 4.165 20 5 FIBDHN COc1cc(CN2[C@H](C)C[C@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000527238478 1109719849 /nfs/dbraw/zinc/71/98/49/1109719849.db2.gz DDXZTCJIRDDZNU-HUUCEWRRSA-N 0 3 356.422 4.165 20 5 FIBDHN COc1cc(F)c([C@H](C)N[C@H](C)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000449142385 1109984569 /nfs/dbraw/zinc/98/45/69/1109984569.db2.gz NZTPDMRLMUOAOL-OLZOCXBDSA-N 0 3 362.401 4.033 20 5 FIBDHN CCn1cc([C@H](C)NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cn1 ZINC000449670217 1110146649 /nfs/dbraw/zinc/14/66/49/1110146649.db2.gz PHALIMHSGKQENW-ZDUSSCGKSA-N 0 3 356.451 4.391 20 5 FIBDHN O=C(CN[C@H](CC1CCC1)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000538691205 1111247641 /nfs/dbraw/zinc/24/76/41/1111247641.db2.gz YWBNGTFNLZIDIE-GOSISDBHSA-N 0 3 353.422 4.054 20 5 FIBDHN COCCCOc1cccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000539046186 1111411605 /nfs/dbraw/zinc/41/16/05/1111411605.db2.gz HYYPIXKFZFTRPX-MRXNPFEDSA-N 0 3 358.438 4.169 20 5 FIBDHN Cc1cccc([C@@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])C(C)(C)C)c1 ZINC000539340013 1111520221 /nfs/dbraw/zinc/52/02/21/1111520221.db2.gz LRSNLEGSWCKGAA-LJQANCHMSA-N 0 3 355.438 4.219 20 5 FIBDHN CCN(CCn1ccc([N+](=O)[O-])n1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000478046333 1111663389 /nfs/dbraw/zinc/66/33/89/1111663389.db2.gz MSJTWEBPEYGVMW-HXUWFJFHSA-N 0 3 368.412 4.042 20 5 FIBDHN O=[N+]([O-])c1ccn(CCN2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000478046787 1111664127 /nfs/dbraw/zinc/66/41/27/1111664127.db2.gz OKWBGFVZSGAFLU-HNNXBMFYSA-N 0 3 368.359 4.037 20 5 FIBDHN COc1ccc(-c2ccc(CNC[C@@H](C)C(F)(F)F)o2)c([N+](=O)[O-])c1 ZINC000479585216 1112080332 /nfs/dbraw/zinc/08/03/32/1112080332.db2.gz CSPWGJRYTLLKMV-SNVBAGLBSA-N 0 3 358.316 4.151 20 5 FIBDHN CN(C(=O)CN[C@@H](CC1CCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000481249500 1112822221 /nfs/dbraw/zinc/82/22/21/1112822221.db2.gz AMWKIZHWALPQOI-FQEVSTJZSA-N 0 3 367.449 4.079 20 5 FIBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](C)c1ccccc1Cl ZINC000488458152 1113931844 /nfs/dbraw/zinc/93/18/44/1113931844.db2.gz DSVPBXBPLCJOOB-CHWSQXEVSA-N 0 3 361.829 4.316 20 5 FIBDHN C[C@@H](N[C@@H](C)c1ccc(N2CCCC2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000156886254 1114631253 /nfs/dbraw/zinc/63/12/53/1114631253.db2.gz OFLDOOVFQHSBDG-LSDHHAIUSA-N 0 3 353.422 4.133 20 5 FIBDHN C[C@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000573862625 1115192480 /nfs/dbraw/zinc/19/24/80/1115192480.db2.gz RNWJFVAUZPCMEI-SCLBCKFNSA-N 0 3 366.396 4.258 20 5 FIBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@@H](C4CCCCC4)C3)o2)cc1 ZINC000595734501 1115560406 /nfs/dbraw/zinc/56/04/06/1115560406.db2.gz MVAOBTSONTXFNK-MRXNPFEDSA-N 0 3 356.426 4.047 20 5 FIBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](C2CCC2)C1 ZINC000595838769 1115564157 /nfs/dbraw/zinc/56/41/57/1115564157.db2.gz WATDTMOTTAKMJM-XJKSGUPXSA-N 0 3 356.426 4.218 20 5 FIBDHN CC(C)N(Cc1ccc(O[C@H]2CCOC2)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000596980194 1115631431 /nfs/dbraw/zinc/63/14/31/1115631431.db2.gz VOARRJMKYOTLBB-NRFANRHFSA-N 0 3 370.449 4.173 20 5 FIBDHN COc1ccc([C@H](N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C2CC2)cn1 ZINC000599095515 1115788859 /nfs/dbraw/zinc/78/88/59/1115788859.db2.gz GALVYHCPGFRDBG-AZUAARDMSA-N 0 3 367.449 4.462 20 5 FIBDHN CN(C)C[C@@H](Nc1ncc([N+](=O)[O-])s1)c1ccc(Cl)c(Cl)c1 ZINC000599171676 1115796626 /nfs/dbraw/zinc/79/66/26/1115796626.db2.gz BWNAGXRBCPKJKM-LLVKDONJSA-N 0 3 361.254 4.073 20 5 FIBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(c2ccc3cccnc3n2)CC1 ZINC000594020134 1115962158 /nfs/dbraw/zinc/96/21/58/1115962158.db2.gz VOULUOXXSVGLOT-HNNXBMFYSA-N 0 3 362.433 4.479 20 5 FIBDHN CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H](CCO)c1ccccc1 ZINC000539826338 1116386851 /nfs/dbraw/zinc/38/68/51/1116386851.db2.gz OCUJAICQSUXDPC-IBGZPJMESA-N 0 3 366.417 4.410 20 5 FIBDHN O=[N+]([O-])c1ccc(OC2CCN(Cc3ccnc4ccccc34)CC2)cc1 ZINC000539835953 1116389028 /nfs/dbraw/zinc/38/90/28/1116389028.db2.gz SFSCTQYWWHWHFU-UHFFFAOYSA-N 0 3 363.417 4.186 20 5 FIBDHN C[C@H](NC[C@](C)(O)C(F)(F)F)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000540151633 1117906372 /nfs/dbraw/zinc/90/63/72/1117906372.db2.gz SVKHGJCUPFPBPF-BONVTDFDSA-N 0 3 374.384 4.287 20 5 FIBDHN CC(C)C[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccs1 ZINC000541626513 1118586954 /nfs/dbraw/zinc/58/69/54/1118586954.db2.gz LFCBVDHLZXHNLP-SJORKVTESA-N 0 3 373.478 4.139 20 5 FIBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](NCC1CCC1)c1ccccc1 ZINC000030449827 1118999856 /nfs/dbraw/zinc/99/98/56/1118999856.db2.gz RLCCSDVUOQPFIC-GOSISDBHSA-N 0 3 373.840 4.318 20 5 FIBDHN O=[N+]([O-])c1cccc([C@H](NCCCNc2ccccn2)c2ccccc2)c1 ZINC000493279333 1119439045 /nfs/dbraw/zinc/43/90/45/1119439045.db2.gz XRSCBVWPUXCADS-OAQYLSRUSA-N 0 3 362.433 4.171 20 5 FIBDHN Cc1c(CN[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000494450271 1119864476 /nfs/dbraw/zinc/86/44/76/1119864476.db2.gz DARRXSRMMQIDHY-AEFFLSMTSA-N 0 3 364.804 4.316 20 5 FIBDHN O=[N+]([O-])c1cnc2c(c1)CN(CCCSc1ccccc1Cl)CC2 ZINC000495465407 1120841178 /nfs/dbraw/zinc/84/11/78/1120841178.db2.gz NOIYPTXQDWULRG-UHFFFAOYSA-N 0 3 363.870 4.184 20 5 FIBDHN O=[N+]([O-])c1ccccc1C[C@H](NCc1ccn(C2CCCC2)n1)C1CC1 ZINC000090547105 1120906415 /nfs/dbraw/zinc/90/64/15/1120906415.db2.gz OVYNVLXUPVZGAT-IBGZPJMESA-N 0 3 354.454 4.017 20 5 FIBDHN COc1ccc(-c2nc(CNCCc3ccc([N+](=O)[O-])cc3)cs2)cc1 ZINC000609223466 1121013072 /nfs/dbraw/zinc/01/30/72/1121013072.db2.gz UZBHURAUHSIROW-UHFFFAOYSA-N 0 3 369.446 4.059 20 5 FIBDHN Cc1ccc(CN[C@@H](C)c2ccc(NC(=O)NC(C)C)cc2)cc1[N+](=O)[O-] ZINC000915680591 1121024930 /nfs/dbraw/zinc/02/49/30/1121024930.db2.gz OUEFMAHBSDEQDH-HNNXBMFYSA-N 0 3 370.453 4.284 20 5 FIBDHN C[C@@H](NCc1ccc(COC2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000090723382 1121254941 /nfs/dbraw/zinc/25/49/41/1121254941.db2.gz RIEIGUNWGGSNNE-MRXNPFEDSA-N 0 3 370.449 4.141 20 5 FIBDHN Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c3cccnc23)N2CCCC2)o1 ZINC000301152176 1121517606 /nfs/dbraw/zinc/51/76/06/1121517606.db2.gz PGKSSCHARFEDKJ-GOSISDBHSA-N 0 3 366.421 4.293 20 5 FIBDHN Cc1cc([C@H](NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C2CC2)ccc1F ZINC000553621347 1122173474 /nfs/dbraw/zinc/17/34/74/1122173474.db2.gz GVNJNWNVUBBAIL-HXUWFJFHSA-N 0 3 371.412 4.030 20 5 FIBDHN C[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1Cl ZINC000765846182 1122317460 /nfs/dbraw/zinc/31/74/60/1122317460.db2.gz UPNRUIRNWCHIRN-ZUZCIYMTSA-N 0 3 355.221 4.286 20 5 FIBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCCO[C@H](c2ccccc2)C1 ZINC000615834329 1124127584 /nfs/dbraw/zinc/12/75/84/1124127584.db2.gz AOAOUWYRCXSSAW-YULVEUEDSA-N 0 3 352.434 4.462 20 5 FIBDHN CC1(C)CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000553991266 1124255757 /nfs/dbraw/zinc/25/57/57/1124255757.db2.gz GVYASBISHOAKJE-QGZVFWFLSA-N 0 3 359.451 4.068 20 5 FIBDHN CN(C)[C@H](CNc1ccc(Br)cc1[N+](=O)[O-])c1cccs1 ZINC000069447640 1124884935 /nfs/dbraw/zinc/88/49/35/1124884935.db2.gz MEUPXGLDWMIPSX-CYBMUJFWSA-N 0 3 370.272 4.134 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000619056284 1125439251 /nfs/dbraw/zinc/43/92/51/1125439251.db2.gz KHNBMJAJDBBLKF-INIZCTEOSA-N 0 3 368.481 4.377 20 5 FIBDHN COc1ccc(C2(NCc3ccc(OC)c([N+](=O)[O-])c3)CCCC2)cc1 ZINC000072961206 568381472 /nfs/dbraw/zinc/38/14/72/568381472.db2.gz XXEZDXAOHBNHNJ-UHFFFAOYSA-N 0 3 356.422 4.171 20 5 FIBDHN CCCN1CCC(Nc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000007365682 568503071 /nfs/dbraw/zinc/50/30/71/568503071.db2.gz OTJNCDPMEXYUJA-UHFFFAOYSA-N 0 3 367.449 4.112 20 5 FIBDHN CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCC(F)(F)CC1 ZINC000558183589 1079664869 /nfs/dbraw/zinc/66/48/69/1079664869.db2.gz PRGMJIQPKRLZRU-UHFFFAOYSA-N 0 3 351.353 4.260 20 5 FIBDHN C[C@H]1[C@@H](c2ccccc2)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000177529375 1081227372 /nfs/dbraw/zinc/22/73/72/1081227372.db2.gz LHXMTJKMHJIUJJ-KSSFIOAISA-N 0 3 364.405 4.023 20 5 FIBDHN CC(C)(NCc1ccc(OC[C@H]2CCCO2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000175986697 1083043001 /nfs/dbraw/zinc/04/30/01/1083043001.db2.gz MMTJDJHLQMCEIG-HXUWFJFHSA-N 0 3 370.449 4.178 20 5 FIBDHN Cc1ccccc1C[C@H]1CCCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581843 1083214274 /nfs/dbraw/zinc/21/42/74/1083214274.db2.gz RUNRXQKNFJYRLI-MRXNPFEDSA-N 0 3 351.406 4.252 20 5 FIBDHN COc1cc2c(cc1F)CC[C@H]2N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000510980816 1083556859 /nfs/dbraw/zinc/55/68/59/1083556859.db2.gz QYIQAVGHHNYWDJ-RTBURBONSA-N 0 3 356.397 4.397 20 5 FIBDHN C[C@@H](N[C@H](CN1CCCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000610809705 1083719081 /nfs/dbraw/zinc/71/90/81/1083719081.db2.gz PVVYUSJOUKHGOU-DYESRHJHSA-N 0 3 353.466 4.473 20 5 FIBDHN CC(C)c1ccc(CNC[C@@H](c2ccco2)N2CCCC2)cc1[N+](=O)[O-] ZINC000236717838 1083935367 /nfs/dbraw/zinc/93/53/67/1083935367.db2.gz MFJGVDZYDMHNNP-IBGZPJMESA-N 0 3 357.454 4.238 20 5 FIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CCO[C@@H]3C3CC3)o2)c(Cl)c1 ZINC000538421625 1084085155 /nfs/dbraw/zinc/08/51/55/1084085155.db2.gz PLBHWGCROPECOJ-FUHWJXTLSA-N 0 3 362.813 4.165 20 5 FIBDHN CSc1cccc(-c2nc(-c3ccc(CN(C)C)cc3)no2)c1[N+](=O)[O-] ZINC000548598170 1084250775 /nfs/dbraw/zinc/25/07/75/1084250775.db2.gz XYDLQXTYWXIGQI-UHFFFAOYSA-N 0 3 370.434 4.095 20 5 FIBDHN COc1ccc(-c2ccc(CNCCSC(C)C)o2)c([N+](=O)[O-])c1 ZINC000579970323 1084309136 /nfs/dbraw/zinc/30/91/36/1084309136.db2.gz NHJBTNOTDXHUFP-UHFFFAOYSA-N 0 3 350.440 4.095 20 5 FIBDHN Cc1ccc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c(CN(C)C)c1 ZINC000187728100 1084820587 /nfs/dbraw/zinc/82/05/87/1084820587.db2.gz MVDAPHCASWHVIO-UHFFFAOYSA-N 0 3 355.438 4.341 20 5 FIBDHN CC[C@H](NCc1ccccc1-n1ccc(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000127592395 1084958062 /nfs/dbraw/zinc/95/80/62/1084958062.db2.gz PXPRHDIPXBDUCS-IBGZPJMESA-N 0 3 350.422 4.330 20 5 FIBDHN Cc1ccc(CN2CCC[C@H](c3nc4ccccc4o3)C2)cc1[N+](=O)[O-] ZINC000127816030 1085114076 /nfs/dbraw/zinc/11/40/76/1085114076.db2.gz KHEPOCTVIYYOGE-INIZCTEOSA-N 0 3 351.406 4.424 20 5 FIBDHN CCCCc1oc2ccccc2c1CN(C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000611563998 1085492883 /nfs/dbraw/zinc/49/28/83/1085492883.db2.gz HUMVQBITZYWYNW-UHFFFAOYSA-N 0 3 370.453 4.321 20 5 FIBDHN C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000178645366 1085554566 /nfs/dbraw/zinc/55/45/66/1085554566.db2.gz QBVDWKOFMTVAMY-KBPBESRZSA-N 0 3 368.437 4.291 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H](C)c1ccccc1F ZINC000109102147 1085588784 /nfs/dbraw/zinc/58/87/84/1085588784.db2.gz AYCFWRSDLRWNMZ-AWEZNQCLSA-N 0 3 359.401 4.064 20 5 FIBDHN CO[C@@H]1CCCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000611984139 1085722417 /nfs/dbraw/zinc/72/24/17/1085722417.db2.gz KNZJRJLEYJEPSG-LJQANCHMSA-N 0 3 369.465 4.364 20 5 FIBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC([C@H]3CCOC3)CC2)o1 ZINC000612402257 1085850422 /nfs/dbraw/zinc/85/04/22/1085850422.db2.gz ZLLLVRHYRNLKGK-INIZCTEOSA-N 0 3 356.422 4.103 20 5 FIBDHN C[C@H](N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc(NC(N)=O)cc1 ZINC000279122898 1086815320 /nfs/dbraw/zinc/81/53/20/1086815320.db2.gz QFXURQGPNXSPPZ-KPZWWZAWSA-N 0 3 368.437 4.159 20 5 FIBDHN COc1cc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)ccn1 ZINC000102421179 1087698394 /nfs/dbraw/zinc/69/83/94/1087698394.db2.gz WAFAXQPUYRVAEV-UHFFFAOYSA-N 0 3 355.419 4.017 20 5 FIBDHN CCc1noc(CC)c1CN[C@@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000504899611 1087971816 /nfs/dbraw/zinc/97/18/16/1087971816.db2.gz JJDUGKPESUZAPA-ZDUSSCGKSA-N 0 3 363.483 4.368 20 5 FIBDHN Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)n1 ZINC000541007206 1088205818 /nfs/dbraw/zinc/20/58/18/1088205818.db2.gz REVAIYSJRSZSMM-YOEHRIQHSA-N 0 3 360.483 4.163 20 5 FIBDHN CC(C)(C)S(=O)(=O)CCNCc1c2ccccc2cc2ccccc21 ZINC000236587883 1088322726 /nfs/dbraw/zinc/32/27/26/1088322726.db2.gz IDVFFAQAUHNMBU-UHFFFAOYSA-N 0 3 355.503 4.296 20 5 FIBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cc(-c2ccc(F)cc2)no1 ZINC000549174335 1089129636 /nfs/dbraw/zinc/12/96/36/1089129636.db2.gz XHMWBJMMGOFVBI-UHFFFAOYSA-N 0 3 355.369 4.063 20 5 FIBDHN CN(CCCCCO)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000435044330 1089251284 /nfs/dbraw/zinc/25/12/84/1089251284.db2.gz FMEPEEVDHSTUGY-UHFFFAOYSA-N 0 3 362.401 4.121 20 5 FIBDHN COc1cccc(NC[C@@H](c2ccc(SC)cc2)N(C)C)c1[N+](=O)[O-] ZINC000549282273 1089546430 /nfs/dbraw/zinc/54/64/30/1089546430.db2.gz HEUWOASHOYTIRZ-INIZCTEOSA-N 0 3 361.467 4.040 20 5 FIBDHN C[C@@H](NC(=O)c1cccc(CN2CCCCC2)c1)c1ccccc1[N+](=O)[O-] ZINC000412232281 1089759052 /nfs/dbraw/zinc/75/90/52/1089759052.db2.gz MIDOMRRWDODTCQ-MRXNPFEDSA-N 0 3 367.449 4.072 20 5 FIBDHN C[C@@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(F)cc1F ZINC000181578892 1090174232 /nfs/dbraw/zinc/17/42/32/1090174232.db2.gz AVHRFOKIMNYYDJ-GFCCVEGCSA-N 0 3 373.359 4.421 20 5 FIBDHN CCC[C@H](N[C@H](CCO)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000120270875 1090670267 /nfs/dbraw/zinc/67/02/67/1090670267.db2.gz VQYMNWFRXPQDOV-VQTJNVASSA-N 0 3 358.438 4.158 20 5 FIBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H](CCCO)c1ccccc1)CCCC2 ZINC000417316560 1090797305 /nfs/dbraw/zinc/79/73/05/1090797305.db2.gz UKXPTRKXMUCDEE-LEWJYISDSA-N 0 3 354.450 4.466 20 5 FIBDHN C[C@H](N[C@H]1CCCCc2ccc([N+](=O)[O-])cc21)c1ccc([S@](C)=O)cc1 ZINC000417308608 1090800059 /nfs/dbraw/zinc/80/00/59/1090800059.db2.gz HTJAPJARMAYCLD-DUGSBNIKSA-N 0 3 372.490 4.451 20 5 FIBDHN CC[C@@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000566473841 1090859673 /nfs/dbraw/zinc/85/96/73/1090859673.db2.gz DRYMTPCPZFTWIA-SJORKVTESA-N 0 3 354.406 4.094 20 5 FIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CCC[C@H]3OC(F)F)o2)cc1 ZINC000500499654 1092150329 /nfs/dbraw/zinc/15/03/29/1092150329.db2.gz QRJGGXIJFKYCMC-GDBMZVCRSA-N 0 3 352.337 4.105 20 5 FIBDHN CO[C@H]1CCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000443075201 1092935361 /nfs/dbraw/zinc/93/53/61/1092935361.db2.gz ZEEULPWEPKMUPR-LPHOPBHVSA-N 0 3 369.465 4.362 20 5 FIBDHN Cc1ccc(CNCCOc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000521841562 1092948847 /nfs/dbraw/zinc/94/88/47/1092948847.db2.gz RORGOVXEQJLQPJ-UHFFFAOYSA-N 0 3 354.328 4.091 20 5 FIBDHN COc1cc(CN(C)C/C=C/c2ccccc2[N+](=O)[O-])ccc1SC ZINC000512706028 1093176100 /nfs/dbraw/zinc/17/61/00/1093176100.db2.gz UGNRKXCMPHVAMX-SOFGYWHQSA-N 0 3 358.463 4.471 20 5 FIBDHN C[C@@H]1OCC[C@]1(C)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000542314562 1093242491 /nfs/dbraw/zinc/24/24/91/1093242491.db2.gz LTNNOUXCUUXJQZ-DJJJIMSYSA-N 0 3 360.385 4.183 20 5 FIBDHN CC1(C)C[C@H](NCc2ccc(-n3cccn3)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000433134776 1093317931 /nfs/dbraw/zinc/31/79/31/1093317931.db2.gz LUXWDRDUZITOHA-FQEVSTJZSA-N 0 3 362.433 4.293 20 5 FIBDHN CC1(C)C[C@H](N[C@@H](CCCO)c2ccccc2)c2cc([N+](=O)[O-])ccc21 ZINC000433277854 1093520261 /nfs/dbraw/zinc/52/02/61/1093520261.db2.gz BJMQIHGSDPAPEY-PMACEKPBSA-N 0 3 354.450 4.421 20 5 FIBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](NC1CCCC1)c1ccccc1 ZINC000006052205 1093586182 /nfs/dbraw/zinc/58/61/82/1093586182.db2.gz QQTZSXVLGPMWMU-SFHVURJKSA-N 0 3 373.840 4.460 20 5 FIBDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000513055847 1093705576 /nfs/dbraw/zinc/70/55/76/1093705576.db2.gz FFMYUZWHGICKFO-CDHQVMDDSA-N 0 3 358.413 4.175 20 5 FIBDHN CN(C)[C@@H]1CCOc2c(Nc3nccc4ccc([N+](=O)[O-])cc43)cccc21 ZINC000413267229 1094835718 /nfs/dbraw/zinc/83/57/18/1094835718.db2.gz MXYXNXBCTFHYSI-GOSISDBHSA-N 0 3 364.405 4.272 20 5 FIBDHN Cc1c(NC(=O)[C@@H](C)N[C@H](c2ccc(F)cc2)C(C)C)cccc1[N+](=O)[O-] ZINC000502487081 1095497636 /nfs/dbraw/zinc/49/76/36/1095497636.db2.gz SWBFBDJLIDHUJT-KUHUBIRLSA-N 0 3 373.428 4.356 20 5 FIBDHN COc1ccccc1[C@H](CNc1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000515502180 1098634914 /nfs/dbraw/zinc/63/49/14/1098634914.db2.gz WEPIMSCXQMVCQV-IBGZPJMESA-N 0 3 355.438 4.243 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(Cc1ccccc1F)C(C)C ZINC000533250713 1098911811 /nfs/dbraw/zinc/91/18/11/1098911811.db2.gz JPMHQXMVCMVAJS-UHFFFAOYSA-N 0 3 373.428 4.282 20 5 FIBDHN CC(C)CCOc1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000425964568 1100538114 /nfs/dbraw/zinc/53/81/14/1100538114.db2.gz GSXLOMSQRVOGSW-UHFFFAOYSA-N 0 3 372.469 4.053 20 5 FIBDHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000537069606 1101437284 /nfs/dbraw/zinc/43/72/84/1101437284.db2.gz YRGYDMPUEDTYAC-CQSZACIVSA-N 0 3 370.384 4.074 20 5 FIBDHN CCN1CCN(c2ccccc2N[C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000537445475 1101790263 /nfs/dbraw/zinc/79/02/63/1101790263.db2.gz QROXYQWNSMONRV-KRWDZBQOSA-N 0 3 368.481 4.218 20 5 FIBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1cccc(Cn3ccnc3)c1)CCC2 ZINC000192653371 1102806198 /nfs/dbraw/zinc/80/61/98/1102806198.db2.gz USAVDMBOGMMFIR-OAQYLSRUSA-N 0 3 362.433 4.007 20 5 FIBDHN CO[C@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1CC1 ZINC000550275665 1102914225 /nfs/dbraw/zinc/91/42/25/1102914225.db2.gz BRCUEFRWUGFEBI-QGZVFWFLSA-N 0 3 350.802 4.023 20 5 FIBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000507008738 1103029982 /nfs/dbraw/zinc/02/99/82/1103029982.db2.gz SGDVAVKVJXLUST-IBGZPJMESA-N 0 3 373.428 4.358 20 5 FIBDHN COc1ccc2c(c1)CCC[C@H]2N(C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000507160824 1103160216 /nfs/dbraw/zinc/16/02/16/1103160216.db2.gz NMBRUEPRQLEUPK-GOSISDBHSA-N 0 3 356.422 4.121 20 5 FIBDHN COc1ccc(OCCN2C[C@@H](C)C[C@@H]2c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000441338162 1104282249 /nfs/dbraw/zinc/28/22/49/1104282249.db2.gz SHXVDYDTCUTSQQ-KBXCAEBGSA-N 0 3 374.412 4.204 20 5 FIBDHN CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCc2ccccc2C1 ZINC000536365866 1104819941 /nfs/dbraw/zinc/81/99/41/1104819941.db2.gz QNTPNSVDBSKCTJ-HXUWFJFHSA-N 0 3 363.417 4.239 20 5 FIBDHN C[C@H](N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CC1 ZINC000015504413 1105171419 /nfs/dbraw/zinc/17/14/19/1105171419.db2.gz UMDXDLHVVJFUKQ-SGTLLEGYSA-N 0 3 373.840 4.316 20 5 FIBDHN C[C@H](N[C@@H](C)c1cccc(C2CC2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451113890 1106928579 /nfs/dbraw/zinc/92/85/79/1106928579.db2.gz LFIUKTRETVONJA-KBPBESRZSA-N 0 3 353.422 4.150 20 5 FIBDHN CN(C)Cc1ccc(-c2noc(-c3cc4cc([N+](=O)[O-])ccc4o3)n2)cc1 ZINC000531348784 1107790188 /nfs/dbraw/zinc/79/01/88/1107790188.db2.gz ZSZQZFBNGXSLBB-UHFFFAOYSA-N 0 3 364.361 4.120 20 5 FIBDHN CCOC(=O)[C@@H]1CC[C@@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000453231786 1108307957 /nfs/dbraw/zinc/30/79/57/1108307957.db2.gz UFCLNNNOOMTRJJ-VHKYSDTDSA-N 0 3 368.433 4.427 20 5 FIBDHN C[C@@H](N[C@H](C)c1cccc2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000057555277 1108825418 /nfs/dbraw/zinc/82/54/18/1108825418.db2.gz MSIZYWOFDZZTML-HUUCEWRRSA-N 0 3 363.417 4.426 20 5 FIBDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2s1 ZINC000525951746 1109561665 /nfs/dbraw/zinc/56/16/65/1109561665.db2.gz DPFAJFVHFOZRKU-OLZOCXBDSA-N 0 3 369.446 4.487 20 5 FIBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@H](CN1CCCC1)c1ccccc1)CCC2 ZINC000447533933 1109569530 /nfs/dbraw/zinc/56/95/30/1109569530.db2.gz ZJVOOHDAIKQWEB-FCHUYYIVSA-N 0 3 365.477 4.399 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1ccccc1Cl ZINC000026227454 1109852453 /nfs/dbraw/zinc/85/24/53/1109852453.db2.gz DWBHSPDHYPZSSA-ZDUSSCGKSA-N 0 3 361.829 4.236 20 5 FIBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](C)c1cc2ccccc2o1 ZINC000237496791 1109996844 /nfs/dbraw/zinc/99/68/44/1109996844.db2.gz YFCMBWCAUDOTKR-KGLIPLIRSA-N 0 3 367.405 4.409 20 5 FIBDHN O=[N+]([O-])c1ccc(NC[C@H](c2ccco2)N2CCCC2)cc1OC(F)F ZINC000462109909 1111501235 /nfs/dbraw/zinc/50/12/35/1111501235.db2.gz BYWDAMAEHFWJDW-CQSZACIVSA-N 0 3 367.352 4.038 20 5 FIBDHN CCN(CC)CCSc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000462112621 1111501917 /nfs/dbraw/zinc/50/19/17/1111501917.db2.gz ONQYDIIWMYOVHO-UHFFFAOYSA-N 0 3 358.463 4.260 20 5 FIBDHN O=[N+]([O-])c1ccccc1/C=C/CNCc1ccc(OC(F)F)c(F)c1 ZINC000555619337 1112950639 /nfs/dbraw/zinc/95/06/39/1112950639.db2.gz IWKKMPAPHGLYSW-HWKANZROSA-N 0 3 352.312 4.138 20 5 FIBDHN CC(C)(C)c1csc(CN[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000482555180 1113294380 /nfs/dbraw/zinc/29/43/80/1113294380.db2.gz HGFUSAFTMIBXIC-HNNXBMFYSA-N 0 3 359.495 4.460 20 5 FIBDHN Cc1ccc([C@@H](C)NC[C@H](c2c(F)cccc2F)N(C)C)cc1[N+](=O)[O-] ZINC000483138248 1113446435 /nfs/dbraw/zinc/44/64/35/1113446435.db2.gz AFABCVAEVSFIGI-FZKQIMNGSA-N 0 3 363.408 4.135 20 5 FIBDHN Cc1c([C@H](C)NC[C@H](c2c(F)cccc2F)N(C)C)cccc1[N+](=O)[O-] ZINC000483144097 1113453252 /nfs/dbraw/zinc/45/32/52/1113453252.db2.gz QYDBZZBWVTZHPC-SCLBCKFNSA-N 0 3 363.408 4.135 20 5 FIBDHN COc1cccc2c1OCC[C@H]2NC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000594523080 1115459833 /nfs/dbraw/zinc/45/98/33/1115459833.db2.gz NAFUHDLHXYSGAK-GPZRYRNASA-N 0 3 354.406 4.120 20 5 FIBDHN COc1cccc2c1OCC[C@H]2NC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000594523079 1115460049 /nfs/dbraw/zinc/46/00/49/1115460049.db2.gz NAFUHDLHXYSGAK-DEQJRXDXSA-N 0 3 354.406 4.120 20 5 FIBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCc1ccc2ccccc2n1 ZINC000595015591 1115504294 /nfs/dbraw/zinc/50/42/94/1115504294.db2.gz OVIPIEVVPFOOOF-AWEZNQCLSA-N 0 3 351.406 4.045 20 5 FIBDHN CN(Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000595431744 1115536010 /nfs/dbraw/zinc/53/60/10/1115536010.db2.gz GYZRKJKGQZNMHA-IEBWSBKVSA-N 0 3 362.376 4.225 20 5 FIBDHN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C1(NC2CC2)CCC1 ZINC000595944939 1115567771 /nfs/dbraw/zinc/56/77/71/1115567771.db2.gz LPHZXVDKUJBQBZ-UHFFFAOYSA-N 0 3 367.405 4.000 20 5 FIBDHN COc1ccc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1OC1CC1 ZINC000598965012 1115771595 /nfs/dbraw/zinc/77/15/95/1115771595.db2.gz JWZIKEYHPMCTGT-UHFFFAOYSA-N 0 3 356.422 4.170 20 5 FIBDHN CN(C)[C@@H]1CCOc2c(Nc3ccc4cnccc4c3[N+](=O)[O-])cccc21 ZINC000599079749 1115787686 /nfs/dbraw/zinc/78/76/86/1115787686.db2.gz NTQPTFRPCKPYHH-GOSISDBHSA-N 0 3 364.405 4.272 20 5 FIBDHN COc1ccc([C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C2CC2)cn1 ZINC000599095973 1115789385 /nfs/dbraw/zinc/78/93/85/1115789385.db2.gz JPXGRRRNXVAOEN-UYAOXDASSA-N 0 3 353.422 4.117 20 5 FIBDHN COc1ccc(-c2ccc(CN3CC[C@]4(CC4(F)F)C3)o2)c([N+](=O)[O-])c1 ZINC000593696285 1115797809 /nfs/dbraw/zinc/79/78/09/1115797809.db2.gz ZTPGWFBUCDORPI-KRWDZBQOSA-N 0 3 364.348 4.095 20 5 FIBDHN CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCC(C(C)(C)C)CC1 ZINC000604414834 1115865095 /nfs/dbraw/zinc/86/50/95/1115865095.db2.gz PIAGFHWUQKYIJM-UHFFFAOYSA-N 0 3 362.470 4.498 20 5 FIBDHN Cc1c(Cl)cccc1NC(=O)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000152665189 1116180661 /nfs/dbraw/zinc/18/06/61/1116180661.db2.gz UMNZMYRBTRIJTN-ZDUSSCGKSA-N 0 3 361.829 4.236 20 5 FIBDHN CCOCc1ccc(CN[C@@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)cc1 ZINC000152850973 1116355349 /nfs/dbraw/zinc/35/53/49/1116355349.db2.gz XVFYCVHMOZLQDT-HNNXBMFYSA-N 0 3 358.438 4.381 20 5 FIBDHN CCOc1ccc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000539836577 1116389133 /nfs/dbraw/zinc/38/91/33/1116389133.db2.gz OPNZUWFQWGATMX-UHFFFAOYSA-N 0 3 356.422 4.037 20 5 FIBDHN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1cccc(F)c1 ZINC000462916825 1117859767 /nfs/dbraw/zinc/85/97/67/1117859767.db2.gz KDKQZQBCPZUOKR-HNNXBMFYSA-N 0 3 369.343 4.050 20 5 FIBDHN Cc1ccccc1[C@H](NCC(=O)Nc1c(C)cccc1[N+](=O)[O-])C(C)C ZINC000540360721 1118014187 /nfs/dbraw/zinc/01/41/87/1118014187.db2.gz 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FIBDHN COc1ccc(CN2CCC(c3c[nH]c4ccccc43)CC2)cc1[N+](=O)[O-] ZINC000097473125 222183721 /nfs/dbraw/zinc/18/37/21/222183721.db2.gz XDOSBQCOYINENB-UHFFFAOYSA-N 0 3 365.433 4.464 20 5 FIBDHN CCN(Cc1ccccc1[N+](=O)[O-])[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000517900734 567836599 /nfs/dbraw/zinc/83/65/99/567836599.db2.gz VAOCCPZATYKCRX-FXAWDEMLSA-N 0 3 353.466 4.252 20 5 FIBDHN COc1cc(CN[C@H]2CC[C@@H](F)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000568357267 568033243 /nfs/dbraw/zinc/03/32/43/568033243.db2.gz RRHNODPRZQTVQN-SJORKVTESA-N 0 3 374.412 4.163 20 5 FIBDHN COc1cc(CN[C@@H]2CC[C@@H](c3ccccc3F)C2)c([N+](=O)[O-])cc1OC ZINC000481835430 568146642 /nfs/dbraw/zinc/14/66/42/568146642.db2.gz ZNDHNGGDJHRKPR-UKRRQHHQSA-N 0 3 374.412 4.177 20 5 FIBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000541951230 568272609 /nfs/dbraw/zinc/27/26/09/568272609.db2.gz CYQJEKXXKUQJLT-LPMFXHHGSA-N 0 3 356.426 4.218 20 5 FIBDHN Cc1cc(C(=O)Nc2cc(CN3CCCC3)ccc2C)cc([N+](=O)[O-])c1 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352.312 4.271 20 5 FIBDHN Cc1noc(C)c1CCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180500776 1087942173 /nfs/dbraw/zinc/94/21/73/1087942173.db2.gz TVKRLSDJPUKXJJ-HXUWFJFHSA-N 0 3 351.406 4.121 20 5 FIBDHN CC(C)c1nnc(CN[C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])s1 ZINC000513827121 1088426232 /nfs/dbraw/zinc/42/62/32/1088426232.db2.gz JJHFTUNCWDCLDW-HIFRSBDPSA-N 0 3 360.483 4.071 20 5 FIBDHN C[C@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(F)cc1F ZINC000181578872 1090174632 /nfs/dbraw/zinc/17/46/32/1090174632.db2.gz AVHRFOKIMNYYDJ-LBPRGKRZSA-N 0 3 373.359 4.421 20 5 FIBDHN CC(C)N(Cc1ccc(-c2cnn(C)c2)s1)Cc1ccc([N+](=O)[O-])cc1 ZINC000549401701 1090230847 /nfs/dbraw/zinc/23/08/47/1090230847.db2.gz VEOLIGNMSFCRTE-UHFFFAOYSA-N 0 3 370.478 4.467 20 5 FIBDHN C[C@@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000584480240 1090972729 /nfs/dbraw/zinc/97/27/29/1090972729.db2.gz VCKMCCPYQGOSGT-BFUOFWGJSA-N 0 3 365.433 4.281 20 5 FIBDHN O=[N+]([O-])c1ccc(-c2cnn(CN(CCc3ccccc3)C3CC3)c2)cc1 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370.396 4.012 20 5 FIBDHN Cc1nc2ccccc2n1C1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000475502798 1107567622 /nfs/dbraw/zinc/56/76/22/1107567622.db2.gz LFNXEEDVLFPTRI-UHFFFAOYSA-N 0 3 364.449 4.398 20 5 FIBDHN COCc1cc([N+](=O)[O-])ccc1NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000531333815 1107777480 /nfs/dbraw/zinc/77/74/80/1107777480.db2.gz NHAGRSZXSLVPPM-GOSISDBHSA-N 0 3 363.845 4.109 20 5 FIBDHN CC[C@H]1CCCCCN1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000523554261 1108318696 /nfs/dbraw/zinc/31/86/96/1108318696.db2.gz IFDQCWAKWSZNQQ-ZDUSSCGKSA-N 0 3 358.385 4.359 20 5 FIBDHN CC1(C)[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]2CCCO[C@@H]21 ZINC000525709613 1109487732 /nfs/dbraw/zinc/48/77/32/1109487732.db2.gz UKOMACRUWAGVLA-BBWFWOEESA-N 0 3 373.478 4.012 20 5 FIBDHN CN(c1ccccc1)c1ccc(CNCCC(F)(F)F)cc1[N+](=O)[O-] ZINC000525709122 1109488420 /nfs/dbraw/zinc/48/84/20/1109488420.db2.gz REXOVJTVGLLNLI-UHFFFAOYSA-N 0 3 353.344 4.405 20 5 FIBDHN C[C@H](N[C@@H](C)c1cc2ccccc2s1)C(=O)Nc1ccc([N+](=O)[O-])cc1 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UPNCSLPTOCQEFP-AWEZNQCLSA-N 0 3 358.417 4.075 20 5 FIBDHN O=[N+]([O-])c1ccc(NC[C@@H](c2ccco2)N2CCCC2)cc1OC(F)F ZINC000462109908 1111501367 /nfs/dbraw/zinc/50/13/67/1111501367.db2.gz BYWDAMAEHFWJDW-AWEZNQCLSA-N 0 3 367.352 4.038 20 5 FIBDHN CCC(=O)c1ccc(NC[C@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000480495406 1112447500 /nfs/dbraw/zinc/44/75/00/1112447500.db2.gz IEJIVJLOBLHKOM-QGZVFWFLSA-N 0 3 367.449 4.122 20 5 FIBDHN COc1cc(CNCC[C@H](C)F)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000555616039 1112949465 /nfs/dbraw/zinc/94/94/65/1112949465.db2.gz JLKYUIBBQWRBBD-AWEZNQCLSA-N 0 3 362.401 4.020 20 5 FIBDHN Cc1cc(C)cc(CN(C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000556045008 1113123854 /nfs/dbraw/zinc/12/38/54/1113123854.db2.gz KGMWBHUGEIZANP-UHFFFAOYSA-N 0 3 364.449 4.244 20 5 FIBDHN COc1cc(CN2CCC[C@H]2C2CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491089490 1114372153 /nfs/dbraw/zinc/37/21/53/1114372153.db2.gz GBNRCWMPEIVJLJ-AWEZNQCLSA-N 0 3 370.396 4.012 20 5 FIBDHN CC1(C)CCC[C@@H]1[C@@H]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000592153476 1115216109 /nfs/dbraw/zinc/21/61/09/1115216109.db2.gz DLFIUUOOFVGEJJ-NVXWUHKLSA-N 0 3 370.453 4.293 20 5 FIBDHN COC(=O)c1ccc2c(c1)[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000594503324 1115451434 /nfs/dbraw/zinc/45/14/34/1115451434.db2.gz JJKZBAJFXWKNCD-ORAYPTAESA-N 0 3 354.406 4.110 20 5 FIBDHN CSCC1(CCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000594963290 1115503133 /nfs/dbraw/zinc/50/31/33/1115503133.db2.gz MAQBCQVEKNMCQE-UHFFFAOYSA-N 0 3 363.508 4.341 20 5 FIBDHN COc1ccc(CN2CCC3(C=Cc4ccccc4O3)CC2)cc1[N+](=O)[O-] ZINC000595879558 1115565426 /nfs/dbraw/zinc/56/54/26/1115565426.db2.gz SVPPTXRFZBAFOC-UHFFFAOYSA-N 0 3 366.417 4.044 20 5 FIBDHN C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)NCc1ccccc1[N+](=O)[O-] ZINC000599036383 1115780766 /nfs/dbraw/zinc/78/07/66/1115780766.db2.gz QBUAVIKRZBEVMC-JTQLQIEISA-N 0 3 373.762 4.383 20 5 FIBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCc1ccccc1CC(F)(F)F ZINC000599092668 1115788370 /nfs/dbraw/zinc/78/83/70/1115788370.db2.gz RKNHHCOWAOWSGX-INIZCTEOSA-N 0 3 350.340 4.477 20 5 FIBDHN C[C@@H]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]2CCCC[C@H]12 ZINC000603846835 1115820650 /nfs/dbraw/zinc/82/06/50/1115820650.db2.gz CXDPQLUKNNYLJA-KBRIMQKVSA-N 0 3 356.426 4.045 20 5 FIBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](C)c1cc2ccccc2o1 ZINC000443220255 1116383451 /nfs/dbraw/zinc/38/34/51/1116383451.db2.gz VJEKDMBAPILAGB-ZIAGYGMSSA-N 0 3 367.405 4.409 20 5 FIBDHN C[C@@H](CNCc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(F)cc1F ZINC000462758757 1117758752 /nfs/dbraw/zinc/75/87/52/1117758752.db2.gz WUDHMNAQURGIDX-JTQLQIEISA-N 0 3 372.318 4.368 20 5 FIBDHN CN(C)[C@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1ccc(F)cc1 ZINC000462779230 1117763120 /nfs/dbraw/zinc/76/31/20/1117763120.db2.gz RZNFDKPMSHYJLL-OAHLLOKOSA-N 0 3 369.343 4.050 20 5 FIBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CCN(c3ccccc3F)C2)c(Cl)c1 ZINC000462905091 1117850694 /nfs/dbraw/zinc/85/06/94/1117850694.db2.gz 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O=[N+]([O-])c1cccc([C@H](NCC2(CCO)CCCC2)c2ccccc2)c1 ZINC000493064371 1119274924 /nfs/dbraw/zinc/27/49/24/1119274924.db2.gz ZNEOVWIOVXGFTP-HXUWFJFHSA-N 0 3 354.450 4.217 20 5 FIBDHN CC(C)C[C@@H](CCO)CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000493246281 1119433621 /nfs/dbraw/zinc/43/36/21/1119433621.db2.gz HJHMLUXGXKPRBO-DYESRHJHSA-N 0 3 356.466 4.319 20 5 FIBDHN CO[C@H](c1ccccc1)[C@@H](C)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494519556 1119887254 /nfs/dbraw/zinc/88/72/54/1119887254.db2.gz BRIZONRODYCQQP-PXAZEXFGSA-N 0 3 368.355 4.479 20 5 FIBDHN Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])c3cccnc23)N2CCCC2)o1 ZINC000301152178 1121528983 /nfs/dbraw/zinc/52/89/83/1121528983.db2.gz PGKSSCHARFEDKJ-SFHVURJKSA-N 0 3 366.421 4.293 20 5 FIBDHN CC[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H](O)C(F)(F)F ZINC000498380725 1122761221 /nfs/dbraw/zinc/76/12/21/1122761221.db2.gz NDGPOPCWGKYLFK-DZGCQCFKSA-N 0 3 374.384 4.115 20 5 FIBDHN O=[N+]([O-])c1ccc(CCNCc2c(Cl)cccc2OC(F)F)cc1 ZINC000609578348 1123757685 /nfs/dbraw/zinc/75/76/85/1123757685.db2.gz LYEGQJWVUQSRQX-UHFFFAOYSA-N 0 3 356.756 4.182 20 5 FIBDHN Cc1ccnc(NC[C@@H](c2cccs2)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000609669445 1123789556 /nfs/dbraw/zinc/78/95/56/1123789556.db2.gz JVSDCQNCDQXLOX-HNNXBMFYSA-N 0 3 360.483 4.245 20 5 FIBDHN C[C@@](CO)(NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1 ZINC000237654528 1124009955 /nfs/dbraw/zinc/00/99/55/1124009955.db2.gz FRMUGQOHENFIJD-FQEVSTJZSA-N 0 3 368.458 4.321 20 5 FIBDHN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000182344853 1125425919 /nfs/dbraw/zinc/42/59/19/1125425919.db2.gz JFTPHBFXNSGKPB-OLZOCXBDSA-N 0 3 361.829 4.234 20 5 FIBDHN C[C@H](NCCc1cnc(SC2CCCC2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000568131660 567911532 /nfs/dbraw/zinc/91/15/32/567911532.db2.gz MWBMHWJQLBGDIV-AWEZNQCLSA-N 0 3 372.494 4.313 20 5 FIBDHN COc1ccc(CNC2CC(F)(c3cccc(Cl)c3)C2)cc1[N+](=O)[O-] ZINC000481812228 568129008 /nfs/dbraw/zinc/12/90/08/568129008.db2.gz CMIGEVMGPBLXKM-UHFFFAOYSA-N 0 3 364.804 4.374 20 5 FIBDHN O=[N+]([O-])c1cc(CNCCc2cccnc2)ccc1Oc1ccc(F)cc1 ZINC000128721696 568211295 /nfs/dbraw/zinc/21/12/95/568211295.db2.gz GIVKVHKZBVCDEH-UHFFFAOYSA-N 0 3 367.380 4.254 20 5 FIBDHN Cc1ccc([C@@H](CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000482015571 568230698 /nfs/dbraw/zinc/23/06/98/568230698.db2.gz ZDUDICMFOURJDD-QFBILLFUSA-N 0 3 357.454 4.292 20 5 FIBDHN Cc1ccc(Sc2ccc(CNC[C@@](C)(O)C3CC3)cc2[N+](=O)[O-])cc1 ZINC000482127151 568268492 /nfs/dbraw/zinc/26/84/92/568268492.db2.gz CANVJJAHPWYYJD-HXUWFJFHSA-N 0 3 372.490 4.305 20 5 FIBDHN COc1cc([N+](=O)[O-])ccc1CN(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000619531347 1125609036 /nfs/dbraw/zinc/60/90/36/1125609036.db2.gz QXDJHPDPOREKCC-GHTZIAJQSA-N 0 3 370.449 4.203 20 5 FIBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000619722885 1125669967 /nfs/dbraw/zinc/66/99/67/1125669967.db2.gz PYWJBCZYFFEFIG-RDJZCZTQSA-N 0 3 354.454 4.068 20 5 FIBDHN O=[N+]([O-])c1ccc2oc(CN3CCC[C@@H]3Cc3ccc(F)cc3)nc2c1 ZINC000083169073 1081267594 /nfs/dbraw/zinc/26/75/94/1081267594.db2.gz BJFRFINUERWDOP-OAHLLOKOSA-N 0 3 355.369 4.082 20 5 FIBDHN CCN1CCN(c2ccc(N[C@H](C)c3ccccc3[N+](=O)[O-])c(C)c2)CC1 ZINC000610294679 1081311929 /nfs/dbraw/zinc/31/19/29/1081311929.db2.gz VFCYXPQKWFAETL-QGZVFWFLSA-N 0 3 368.481 4.218 20 5 FIBDHN COc1ccccc1[C@@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC001167331820 1081451485 /nfs/dbraw/zinc/45/14/85/1081451485.db2.gz ATXLVVNPLRXNLZ-IBGZPJMESA-N 0 3 356.422 4.209 20 5 FIBDHN CC[C@@H](C)[C@@H](C)N(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC001167356323 1081617577 /nfs/dbraw/zinc/61/75/77/1081617577.db2.gz MCIKWTDSHBZCIQ-VXGBXAGGSA-N 0 3 353.850 4.086 20 5 FIBDHN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN[C@@H]2CCO[C@@H]2c2ccccc2)c1 ZINC000580727373 1082101311 /nfs/dbraw/zinc/10/13/11/1082101311.db2.gz KOWLUXJLZZODTO-IAGOWNOFSA-N 0 3 366.339 4.233 20 5 FIBDHN Cc1ccc([C@@H](C)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1[N+](=O)[O-] ZINC000177937984 1082352498 /nfs/dbraw/zinc/35/24/98/1082352498.db2.gz UEBCEEPWWVSXAQ-SZNDQCEHSA-N 0 3 368.433 4.476 20 5 FIBDHN Cc1cc(NCCc2cccc3cccnc32)c2cc([N+](=O)[O-])ccc2n1 ZINC000891662687 1083000794 /nfs/dbraw/zinc/00/07/94/1083000794.db2.gz RBIAMDADNPEFQS-UHFFFAOYSA-N 0 3 358.401 4.076 20 5 FIBDHN CCC[C@@H](N[C@@H](C)c1ccc(-n2cncn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178323994 1083181503 /nfs/dbraw/zinc/18/15/03/1083181503.db2.gz KAQJTCIKWVIXDV-MGPUTAFESA-N 0 3 365.437 4.368 20 5 FIBDHN CC(C)COC1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000510629231 1083207848 /nfs/dbraw/zinc/20/78/48/1083207848.db2.gz LEYQWGCFUWYURB-UHFFFAOYSA-N 0 3 358.438 4.492 20 5 FIBDHN Cc1ccc2[nH]c([C@H]3CCCN(Cc4ccccc4[N+](=O)[O-])C3)nc2c1 ZINC000535666916 1083503837 /nfs/dbraw/zinc/50/38/37/1083503837.db2.gz VFRLVTXUSVMWDU-INIZCTEOSA-N 0 3 350.422 4.159 20 5 FIBDHN Cc1ccc([C@H](C)N[C@H](Cc2nccn2C)c2ccccc2)cc1[N+](=O)[O-] ZINC000610827835 1083743795 /nfs/dbraw/zinc/74/37/95/1083743795.db2.gz CSZYGYBBVZHJNN-QFBILLFUSA-N 0 3 364.449 4.271 20 5 FIBDHN Cc1c([C@H](C)N[C@@H](Cc2nccn2C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000610828043 1083745628 /nfs/dbraw/zinc/74/56/28/1083745628.db2.gz HVFSEWCBCGVQBS-LPHOPBHVSA-N 0 3 364.449 4.271 20 5 FIBDHN CC(C)[C@H](Cc1ccc(F)cc1)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000612469226 1083836949 /nfs/dbraw/zinc/83/69/49/1083836949.db2.gz DEARTHVLRAEDDP-INIZCTEOSA-N 0 3 357.385 4.232 20 5 FIBDHN Cc1cc(C)n(CCCN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)n1 ZINC000179995838 1083973630 /nfs/dbraw/zinc/97/36/30/1083973630.db2.gz JFAWSNJIERKBRR-OAQYLSRUSA-N 0 3 364.449 4.177 20 5 FIBDHN CC[C@@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000178479091 1083982739 /nfs/dbraw/zinc/98/27/39/1083982739.db2.gz XPYFUGBUJVFSKJ-WMLDXEAASA-N 0 3 356.422 4.476 20 5 FIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CCO[C@H]3C3CC3)o2)c(Cl)c1 ZINC000538421624 1084088755 /nfs/dbraw/zinc/08/87/55/1084088755.db2.gz PLBHWGCROPECOJ-AEFFLSMTSA-N 0 3 362.813 4.165 20 5 FIBDHN CCc1ccc([C@H](NCCCn2ccnc2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000511019930 1084204032 /nfs/dbraw/zinc/20/40/32/1084204032.db2.gz UTVQMPKLFSVWAG-HXUWFJFHSA-N 0 3 368.437 4.024 20 5 FIBDHN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN[C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000580727375 1084456190 /nfs/dbraw/zinc/45/61/90/1084456190.db2.gz KOWLUXJLZZODTO-SJORKVTESA-N 0 3 366.339 4.233 20 5 FIBDHN COc1ccc([C@H](CN(C)C)NCc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 ZINC000551226112 1084577674 /nfs/dbraw/zinc/57/76/74/1084577674.db2.gz DXIYZBWFRWELQZ-FQEVSTJZSA-N 0 3 371.481 4.119 20 5 FIBDHN C[C@H](c1cccs1)N(CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000478426344 1084950824 /nfs/dbraw/zinc/95/08/24/1084950824.db2.gz JQLOXPMYAXWKAA-OAHLLOKOSA-N 0 3 356.451 4.116 20 5 FIBDHN Cc1ccn(-c2ccccc2CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000127637833 1084980130 /nfs/dbraw/zinc/98/01/30/1084980130.db2.gz JNUBAEVSTJCBHW-INIZCTEOSA-N 0 3 350.422 4.248 20 5 FIBDHN CC[C@@H](N[C@H]1CCc2cc(OC)c(OC)cc21)c1cccc([N+](=O)[O-])c1 ZINC000479071338 1085076695 /nfs/dbraw/zinc/07/66/95/1085076695.db2.gz RCXXPPKMRQVDAN-MSOLQXFVSA-N 0 3 356.422 4.340 20 5 FIBDHN O=[N+]([O-])c1ccc(CN2CCC(c3ncc4n3CCCC4)CC2)c(Cl)c1 ZINC000582823207 1085778041 /nfs/dbraw/zinc/77/80/41/1085778041.db2.gz SYCYLOGWPSEXGA-UHFFFAOYSA-N 0 3 374.872 4.161 20 5 FIBDHN C/C(=C/c1nc(-c2ccc(CN(C)C)cc2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000544046370 1086521148 /nfs/dbraw/zinc/52/11/48/1086521148.db2.gz VVKKZBWNTLGWLH-OWBHPGMISA-N 0 3 364.405 4.267 20 5 FIBDHN C[C@@H](N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc(NC(N)=O)cc1 ZINC000279122913 1086814498 /nfs/dbraw/zinc/81/44/98/1086814498.db2.gz QFXURQGPNXSPPZ-XIKOKIGWSA-N 0 3 368.437 4.159 20 5 FIBDHN O=[N+]([O-])c1cccc(Cl)c1CNC1(Cc2ccccc2)CCOCC1 ZINC000451943600 1087734893 /nfs/dbraw/zinc/73/48/93/1087734893.db2.gz KBNKOHZZVMDHNX-UHFFFAOYSA-N 0 3 360.841 4.130 20 5 FIBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CC34CC4)o2)c(Br)c1 ZINC000424187360 1087831483 /nfs/dbraw/zinc/83/14/83/1087831483.db2.gz VLBOKPXTXQNJMJ-OAHLLOKOSA-N 0 3 363.211 4.259 20 5 FIBDHN CCOc1ccc([C@@H](C)NCc2cccc(-n3ccnc3)c2)cc1[N+](=O)[O-] ZINC000504922226 1087974835 /nfs/dbraw/zinc/97/48/35/1087974835.db2.gz ZKEJZRNNIGDTPU-OAHLLOKOSA-N 0 3 366.421 4.030 20 5 FIBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCC(c2ncc3n2CCCC3)CC1 ZINC000435054677 1089242737 /nfs/dbraw/zinc/24/27/37/1089242737.db2.gz FAZBZEOHYQBJSN-ALCCZGGFSA-N 0 3 366.465 4.020 20 5 FIBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cn(C)nc1C1CCCCC1 ZINC000549411114 1090269757 /nfs/dbraw/zinc/26/97/57/1090269757.db2.gz WIIZQUTZRQZPIR-UHFFFAOYSA-N 0 3 356.470 4.051 20 5 FIBDHN O=C(CCN1CCCC[C@H]1c1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000500070173 1091019206 /nfs/dbraw/zinc/01/92/06/1091019206.db2.gz OAUDOWWDACGLPQ-SFHVURJKSA-N 0 3 371.412 4.290 20 5 FIBDHN O=[N+]([O-])c1cccc(CCNCc2ccc(Sc3ccccn3)o2)c1 ZINC000511828865 1091762751 /nfs/dbraw/zinc/76/27/51/1091762751.db2.gz ZUGUNOIVIFWUFU-UHFFFAOYSA-N 0 3 355.419 4.066 20 5 FIBDHN Cc1cccc(CCCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000512526091 1092647441 /nfs/dbraw/zinc/64/74/41/1092647441.db2.gz CIBWEYNXDZQPHE-UHFFFAOYSA-N 0 3 368.462 4.144 20 5 FIBDHN Cc1ccc(OCCNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000521822710 1092940371 /nfs/dbraw/zinc/94/03/71/1092940371.db2.gz HNZOCZRSOHPERX-UHFFFAOYSA-N 0 3 352.390 4.332 20 5 FIBDHN CN(C)[C@H]1CCOc2c(Nc3ccc([N+](=O)[O-])c4cnccc34)cccc21 ZINC000432940320 1092974413 /nfs/dbraw/zinc/97/44/13/1092974413.db2.gz UQTWOWOGSLZILN-SFHVURJKSA-N 0 3 364.405 4.272 20 5 FIBDHN Cc1cc(CCNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)on1 ZINC000512971472 1093609392 /nfs/dbraw/zinc/60/93/92/1093609392.db2.gz GUARHJSEFWWFOJ-UHFFFAOYSA-N 0 3 371.368 4.155 20 5 FIBDHN CCC[C@H](O)CNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000237042680 1094624466 /nfs/dbraw/zinc/62/44/66/1094624466.db2.gz CSXXXEPDWHBEEL-AWEZNQCLSA-N 0 3 364.829 4.291 20 5 FIBDHN COC[C@@H](C)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000237167412 1095364911 /nfs/dbraw/zinc/36/49/11/1095364911.db2.gz PBOLXFDLUNKDAT-GFCCVEGCSA-N 0 3 350.802 4.165 20 5 FIBDHN C[C@@H](N[C@@H](c1ccccc1)C1CCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000533054658 1098721450 /nfs/dbraw/zinc/72/14/50/1098721450.db2.gz OJMCIWDEOGPGOG-KUHUBIRLSA-N 0 3 353.422 4.053 20 5 FIBDHN COc1cc(C)c(CN(C)C/C=C/c2ccccc2[N+](=O)[O-])cc1OC ZINC000506045224 1099895206 /nfs/dbraw/zinc/89/52/06/1099895206.db2.gz AKLDEKKMANYFHS-VQHVLOKHSA-N 0 3 356.422 4.066 20 5 FIBDHN Cc1c(CN[C@H](c2ccccc2)C2(CO)CCCC2)cccc1[N+](=O)[O-] ZINC000459533721 1100284206 /nfs/dbraw/zinc/28/42/06/1100284206.db2.gz PQTDGNUINSTMCW-HXUWFJFHSA-N 0 3 354.450 4.287 20 5 FIBDHN C[C@H](CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Oc1ccccc1 ZINC000506285042 1100761369 /nfs/dbraw/zinc/76/13/69/1100761369.db2.gz OOBWNIVJSPGIQI-OAHLLOKOSA-N 0 3 352.390 4.412 20 5 FIBDHN O=C(CN[C@@H](c1ccc(Cl)cc1)C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000537104661 1101450832 /nfs/dbraw/zinc/45/08/32/1101450832.db2.gz MQMAYHDEIRWVQQ-LJQANCHMSA-N 0 3 373.840 4.318 20 5 FIBDHN CN(CCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 ZINC000518769616 1101527073 /nfs/dbraw/zinc/52/70/73/1101527073.db2.gz JRVSCYMCATWNFT-UHFFFAOYSA-N 0 3 351.406 4.081 20 5 FIBDHN COc1cc(C[NH2+]CC(C)(C)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1[O-] ZINC000509598029 1101563775 /nfs/dbraw/zinc/56/37/75/1101563775.db2.gz DLYBHRGEXYBYJL-UHFFFAOYSA-N 0 3 364.829 4.030 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](CN1CCCC1)c1ccccc1 ZINC000532451992 1102343778 /nfs/dbraw/zinc/34/37/78/1102343778.db2.gz CLBIYIMFMTUSSP-DYESRHJHSA-N 0 3 353.466 4.391 20 5 FIBDHN CC[C@@H](Cc1ccccc1)N(C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000532586867 1102507088 /nfs/dbraw/zinc/50/70/88/1102507088.db2.gz YENBFVMFWNIRRQ-KRWDZBQOSA-N 0 3 366.421 4.098 20 5 FIBDHN C[C@@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)OCCO2 ZINC000192606900 1102644562 /nfs/dbraw/zinc/64/45/62/1102644562.db2.gz AYEAUJRHQMPRTH-FZKQIMNGSA-N 0 3 354.406 4.094 20 5 FIBDHN Cc1c([C@@H](C)N[C@H](CN2CCCC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000120833369 1103373082 /nfs/dbraw/zinc/37/30/82/1103373082.db2.gz MFYDKJLCEHGJAB-YLJYHZDGSA-N 0 3 353.466 4.391 20 5 FIBDHN CCC[C@H](NCc1cccc(Cn2ccnc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000151336689 1103385435 /nfs/dbraw/zinc/38/54/35/1103385435.db2.gz LKMMODXSAUAPIN-NRFANRHFSA-N 0 3 364.449 4.471 20 5 FIBDHN CC[C@H](NCc1cccc(Cn2ccnc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000151337774 1103385907 /nfs/dbraw/zinc/38/59/07/1103385907.db2.gz BGQFDTDRICOPOY-FQEVSTJZSA-N 0 3 350.422 4.081 20 5 FIBDHN CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCc2ccccc2C1 ZINC000536365865 1104819741 /nfs/dbraw/zinc/81/97/41/1104819741.db2.gz QNTPNSVDBSKCTJ-FQEVSTJZSA-N 0 3 363.417 4.239 20 5 FIBDHN Cc1ccc(OCCCNCc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000507930036 1105274979 /nfs/dbraw/zinc/27/49/79/1105274979.db2.gz KFELQGMPENIQCJ-UHFFFAOYSA-N 0 3 366.364 4.063 20 5 FIBDHN Cc1cc([C@H](NCCc2cccc([N+](=O)[O-])c2)c2cccnc2)ccc1F ZINC000544381368 1106769787 /nfs/dbraw/zinc/76/97/87/1106769787.db2.gz NKNOEXVFJOGGSS-NRFANRHFSA-N 0 3 365.408 4.359 20 5 FIBDHN CC[C@H](N[C@@H]1C[C@@H](OC(C)(C)C)[C@H]1n1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000453383279 1108466581 /nfs/dbraw/zinc/46/65/81/1108466581.db2.gz SJDBAHSLBNOEDD-MANSERQUSA-N 0 3 372.469 4.029 20 5 FIBDHN C[C@@H](N[C@@H](C)c1cccc2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000057555275 1108825207 /nfs/dbraw/zinc/82/52/07/1108825207.db2.gz MSIZYWOFDZZTML-LSDHHAIUSA-N 0 3 363.417 4.426 20 5 FIBDHN O=[N+]([O-])c1ccc2[nH]c(CNC3CC(c4ccc(Cl)cc4)C3)nc2c1 ZINC000446830545 1109354374 /nfs/dbraw/zinc/35/43/74/1109354374.db2.gz TWIGHZYEWAOFNR-UHFFFAOYSA-N 0 3 356.813 4.160 20 5 FIBDHN C[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cc2ccccc2s1 ZINC000525951936 1109562341 /nfs/dbraw/zinc/56/23/41/1109562341.db2.gz SJXQEZBZFIAXAM-OLZOCXBDSA-N 0 3 369.446 4.487 20 5 FIBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H](CN1CCCC1)c1ccccc1)CCC2 ZINC000447534034 1109570226 /nfs/dbraw/zinc/57/02/26/1109570226.db2.gz ZJVOOHDAIKQWEB-FGZHOGPDSA-N 0 3 365.477 4.399 20 5 FIBDHN 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ZINC000608835922 1116131305 /nfs/dbraw/zinc/13/13/05/1116131305.db2.gz ZAXMMJMOQPROQI-UHFFFAOYSA-N 0 3 368.389 4.032 20 5 FIBDHN O=[N+]([O-])c1cc(CN2CCC[C@@H](c3ccccc3)CC2)c2c(c1)COCO2 ZINC000608977463 1116139464 /nfs/dbraw/zinc/13/94/64/1116139464.db2.gz LJIHJLWSZVFSSJ-QGZVFWFLSA-N 0 3 368.433 4.231 20 5 FIBDHN CCC(CC)(C[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000462746049 1117748633 /nfs/dbraw/zinc/74/86/33/1117748633.db2.gz ORZXLVGJZZBBHS-UHFFFAOYSA-N 0 3 358.438 4.157 20 5 FIBDHN CCO[C@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C12CCCC2 ZINC000462758571 1117758871 /nfs/dbraw/zinc/75/88/71/1117758871.db2.gz UZHDLBTVJYZYSP-CVEARBPZSA-N 0 3 370.396 4.024 20 5 FIBDHN O=[N+]([O-])c1ccccc1C[C@@H](N[C@@H]1CCOc2c(F)ccc(F)c21)C1CC1 ZINC000462948608 1117879080 /nfs/dbraw/zinc/87/90/80/1117879080.db2.gz WPABXZWWYYQFAD-IAGOWNOFSA-N 0 3 374.387 4.308 20 5 FIBDHN C[C@H](NC[C@@](C)(O)C(F)(F)F)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000540151635 1117906168 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20 5 FIBDHN O=[N+]([O-])c1ccc(CN(CCO)[C@H]2CCCc3ccccc32)cc1Cl ZINC000761511771 1119405218 /nfs/dbraw/zinc/40/52/18/1119405218.db2.gz PDQZUBXKIPPARG-SFHVURJKSA-N 0 3 360.841 4.120 20 5 FIBDHN Cc1c(CN[C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000494980283 1120407966 /nfs/dbraw/zinc/40/79/66/1120407966.db2.gz PKYHVNULWKLPOI-BEFAXECRSA-N 0 3 358.413 4.300 20 5 FIBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCCC[C@@H]2c2cc3ccccc3[nH]2)c1 ZINC000154526653 1122443531 /nfs/dbraw/zinc/44/35/31/1122443531.db2.gz QCLJUFNPOXPNAK-RTWAWAEBSA-N 0 3 365.433 4.337 20 5 FIBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cnc(-c2ccsc2)s1 ZINC000556996984 1123304340 /nfs/dbraw/zinc/30/43/40/1123304340.db2.gz DRWYJXOESBZYPT-UHFFFAOYSA-N 0 3 359.476 4.454 20 5 FIBDHN O=[N+]([O-])c1ccc(OC2CCN(Cc3ccc4ncccc4c3)CC2)cc1 ZINC000130732054 1123534936 /nfs/dbraw/zinc/53/49/36/1123534936.db2.gz SFSBWIAZAHUTRU-UHFFFAOYSA-N 0 3 363.417 4.186 20 5 FIBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@H]2CCSc3ccc(Cl)cc32)cc1 ZINC000765850688 1124213983 /nfs/dbraw/zinc/21/39/83/1124213983.db2.gz ZJUPVPXYHRSIIK-JKSUJKDBSA-N 0 3 364.854 4.108 20 5 FIBDHN COC(=O)c1cc2cc(CN[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)ccc2o1 ZINC000181809082 1125141851 /nfs/dbraw/zinc/14/18/51/1125141851.db2.gz JOXFZBPJLDOCSA-ZDUSSCGKSA-N 0 3 368.389 4.287 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000182164684 1125269303 /nfs/dbraw/zinc/26/93/03/1125269303.db2.gz GJHCJYQYOUVOEG-YXKWSERDSA-N 0 3 362.376 4.362 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000619056285 1125439726 /nfs/dbraw/zinc/43/97/26/1125439726.db2.gz KHNBMJAJDBBLKF-MRXNPFEDSA-N 0 3 368.481 4.377 20 5 FIBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000096967811 222146371 /nfs/dbraw/zinc/14/63/71/222146371.db2.gz NIBMDRZBFHATFC-INIZCTEOSA-N 0 3 367.449 4.142 20 5 FIBDHN COc1cc(CN(C2CC2)C2CCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000541872437 568039579 /nfs/dbraw/zinc/03/95/79/568039579.db2.gz LBYXIMVYXASEJC-UHFFFAOYSA-N 0 3 370.396 4.154 20 5 FIBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(CCCn2ccnc2)CC1 ZINC000568682240 568120527 /nfs/dbraw/zinc/12/05/27/568120527.db2.gz QOJUJNIRBWIEOQ-NBVRZTHBSA-N 0 3 368.481 4.387 20 5 FIBDHN Cc1ccc(CN2CCCC2)cc1NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000569785473 568424636 /nfs/dbraw/zinc/42/46/36/568424636.db2.gz YXKAPRKBYKUFPA-MRXNPFEDSA-N 0 3 367.449 4.241 20 5 FIBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCOC[C@H](C4CCC4)C3)o2)c1 ZINC000430142929 1079594916 /nfs/dbraw/zinc/59/49/16/1079594916.db2.gz AYOSCLHZTUPJME-QGZVFWFLSA-N 0 3 356.422 4.103 20 5 FIBDHN O=[N+]([O-])c1ccc(CCNCc2cc(Cl)ccc2Br)cc1 ZINC000097498736 1080026351 /nfs/dbraw/zinc/02/63/51/1080026351.db2.gz GAOQTTOCOHYQPD-UHFFFAOYSA-N 0 3 369.646 4.343 20 5 FIBDHN CC[C@H](C)[C@H](C)N(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC001167356322 1081617004 /nfs/dbraw/zinc/61/70/04/1081617004.db2.gz MCIKWTDSHBZCIQ-RYUDHWBXSA-N 0 3 353.850 4.086 20 5 FIBDHN C[C@H](N[C@@H](CN1CCCCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000610420445 1081835209 /nfs/dbraw/zinc/83/52/09/1081835209.db2.gz IAWPQWRURWCKGM-UWJYYQICSA-N 0 3 353.466 4.473 20 5 FIBDHN CCC[C@H](NCc1ccc(-n2ccnc2C)nc1)c1cccc([N+](=O)[O-])c1 ZINC000126404604 1082447468 /nfs/dbraw/zinc/44/74/68/1082447468.db2.gz ISZCWVRLDPTKER-IBGZPJMESA-N 0 3 365.437 4.115 20 5 FIBDHN Cc1ccc([C@@H](C)N[C@H](C)c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000178020535 1082589648 /nfs/dbraw/zinc/58/96/48/1082589648.db2.gz CHSUERDYNBHYNT-HUUCEWRRSA-N 0 3 356.422 4.476 20 5 FIBDHN Cc1ccn(-c2ccccc2CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000127637581 1084980367 /nfs/dbraw/zinc/98/03/67/1084980367.db2.gz JNUBAEVSTJCBHW-MRXNPFEDSA-N 0 3 350.422 4.248 20 5 FIBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCc1cccc(OCC(F)(F)F)c1 ZINC000583153319 1086308465 /nfs/dbraw/zinc/30/84/65/1086308465.db2.gz LGQBVXVJZFGQOH-INIZCTEOSA-N 0 3 366.339 4.313 20 5 FIBDHN COc1ccc(CN[C@H]2CCC[C@H]2F)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000583335355 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O=C(CCN1CC[C@H](c2cccc(Cl)c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000433308184 1093574653 /nfs/dbraw/zinc/57/46/53/1093574653.db2.gz XRFTWRGYMXNZQG-HNNXBMFYSA-N 0 3 373.840 4.066 20 5 FIBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000474439427 1093785388 /nfs/dbraw/zinc/78/53/88/1093785388.db2.gz NBKUZDOSYPPKOJ-BEFAXECRSA-N 0 3 370.453 4.025 20 5 FIBDHN COc1cc(CN[C@H]2CC[C@@H]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000513101300 1093847812 /nfs/dbraw/zinc/84/78/12/1093847812.db2.gz QFLLZWRWYSPQII-YOEHRIQHSA-N 0 3 356.422 4.071 20 5 FIBDHN CC[C@H](C)[C@H](O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000237006590 1094386946 /nfs/dbraw/zinc/38/69/46/1094386946.db2.gz ZEFDLPJICOYJLP-MEDUHNTESA-N 0 3 352.818 4.005 20 5 FIBDHN CCN(C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccc(OC)c(OC)c1 ZINC000506016172 1099771265 /nfs/dbraw/zinc/77/12/65/1099771265.db2.gz FPZFWUXXBUYZJR-VQHVLOKHSA-N 0 3 356.422 4.147 20 5 FIBDHN CCCn1ccnc1CCCN(C)c1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000428680624 1100014908 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363.408 4.135 20 5 FIBDHN COc1cc(CN2CCC[C@@H]2C2CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491089491 1114371953 /nfs/dbraw/zinc/37/19/53/1114371953.db2.gz GBNRCWMPEIVJLJ-CQSZACIVSA-N 0 3 370.396 4.012 20 5 FIBDHN Cc1ccc(-c2nn(C)cc2CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000592365393 1115283270 /nfs/dbraw/zinc/28/32/70/1115283270.db2.gz QZHPJIUCBJUOGX-AWEZNQCLSA-N 0 3 354.410 4.056 20 5 FIBDHN CN(Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000595431745 1115536184 /nfs/dbraw/zinc/53/61/84/1115536184.db2.gz GYZRKJKGQZNMHA-MJGOQNOKSA-N 0 3 362.376 4.225 20 5 FIBDHN C[C@H](N[C@@H](C)C1CCC(F)CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595817716 1115562365 /nfs/dbraw/zinc/56/23/65/1115562365.db2.gz BQBJHWFMTYVKBA-YKQCJFHZSA-N 0 3 362.405 4.212 20 5 FIBDHN CCCN(C(=O)C(C[C@@H]1CCCO1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000593145810 1115574614 /nfs/dbraw/zinc/57/46/14/1115574614.db2.gz GHEYHTWEHPESPR-LSDHHAIUSA-N 0 3 374.359 4.085 20 5 FIBDHN CC(C)c1ccc(CNC[C@H](c2ccco2)N2CCCC2)cc1[N+](=O)[O-] ZINC000061013971 1115749821 /nfs/dbraw/zinc/74/98/21/1115749821.db2.gz MFJGVDZYDMHNNP-LJQANCHMSA-N 0 3 357.454 4.238 20 5 FIBDHN CCC(F)(F)C(C)(C)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000599001834 1115776084 /nfs/dbraw/zinc/77/60/84/1115776084.db2.gz WZGWULCZZKAYAZ-UHFFFAOYSA-N 0 3 352.328 4.357 20 5 FIBDHN CCOc1ccc([C@H](C)NC[C@H](OC)c2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000599054596 1115786247 /nfs/dbraw/zinc/78/62/47/1115786247.db2.gz CHOMWDXTUUVHHY-XOBRGWDASA-N 0 3 374.437 4.040 20 5 FIBDHN C/C=C\C[C@@H]1CCCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000599689601 1115836142 /nfs/dbraw/zinc/83/61/42/1115836142.db2.gz JZYKUYLKBPCGIW-VUBDOFJKSA-N 0 3 356.426 4.384 20 5 FIBDHN Cc1ccccc1OCCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000608836362 1116131180 /nfs/dbraw/zinc/13/11/80/1116131180.db2.gz ARDQJVDZRFEULI-UHFFFAOYSA-N 0 3 352.390 4.332 20 5 FIBDHN Cc1ccc2[nH]c([C@H]3CCCN(Cc4cccc([N+](=O)[O-])c4)C3)nc2c1 ZINC000534951685 1116255377 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MGQNPPYUWMBDDI-UZLBHIALSA-N 0 3 362.470 4.033 20 5 FIBDHN CO[C@@H](CNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C(C)C ZINC000465005654 1118787156 /nfs/dbraw/zinc/78/71/56/1118787156.db2.gz PNRIWRPCTBANEJ-IBGZPJMESA-N 0 3 362.401 4.287 20 5 FIBDHN CO[C@H](CNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C(C)C ZINC000465005655 1118787363 /nfs/dbraw/zinc/78/73/63/1118787363.db2.gz PNRIWRPCTBANEJ-LJQANCHMSA-N 0 3 362.401 4.287 20 5 FIBDHN C[C@H]1OCC[C@@]1(C)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000542314561 1118899228 /nfs/dbraw/zinc/89/92/28/1118899228.db2.gz LTNNOUXCUUXJQZ-BFUOFWGJSA-N 0 3 360.385 4.183 20 5 FIBDHN CCOc1cc(CN[C@H](c2ccc(OC)cc2)C(C)C)ccc1[N+](=O)[O-] ZINC000492581881 1119135734 /nfs/dbraw/zinc/13/57/34/1119135734.db2.gz KAKCQTGJBWDXBQ-FQEVSTJZSA-N 0 3 358.438 4.489 20 5 FIBDHN CCOc1cc(CN[C@H](C)c2cccc(-n3cccn3)c2)ccc1[N+](=O)[O-] ZINC000492747308 1119177994 /nfs/dbraw/zinc/17/79/94/1119177994.db2.gz LBUXEZUIHDJUEP-OAHLLOKOSA-N 0 3 366.421 4.030 20 5 FIBDHN O=[N+]([O-])c1ccc(CN(CCO)[C@@H]2CCCc3ccccc32)cc1Cl ZINC000761511767 1119405935 /nfs/dbraw/zinc/40/59/35/1119405935.db2.gz PDQZUBXKIPPARG-GOSISDBHSA-N 0 3 360.841 4.120 20 5 FIBDHN C[C@@H](COc1ccc(F)cc1F)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761521452 1119409465 /nfs/dbraw/zinc/40/94/65/1119409465.db2.gz HHFBXEPTMDFHND-JTQLQIEISA-N 0 3 356.756 4.084 20 5 FIBDHN O=[N+]([O-])c1cccc([C@@H](NCCCc2nccs2)c2ccccc2)c1 ZINC000494027177 1119526770 /nfs/dbraw/zinc/52/67/70/1119526770.db2.gz GMFSZJFRBXGIKU-IBGZPJMESA-N 0 3 353.447 4.363 20 5 FIBDHN Cc1c(CN[C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000494980285 1120407638 /nfs/dbraw/zinc/40/76/38/1120407638.db2.gz PKYHVNULWKLPOI-HNAYVOBHSA-N 0 3 358.413 4.300 20 5 FIBDHN Cc1nccn1-c1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1F ZINC000153714179 1121044861 /nfs/dbraw/zinc/04/48/61/1121044861.db2.gz UCEAIXXDPGMHHV-CQSZACIVSA-N 0 3 368.412 4.387 20 5 FIBDHN COc1cc(F)c([N+](=O)[O-])c(NC[C@H](c2cccs2)N2CCCC2)c1 ZINC000301531112 1122208001 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FIBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000097039152 222154210 /nfs/dbraw/zinc/15/42/10/222154210.db2.gz FLBNNWVAFKMGJI-INIZCTEOSA-N 0 3 357.429 4.003 20 5 FIBDHN C[C@H](N[C@@H](C)c1cccc2ccccc21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000098068112 222225842 /nfs/dbraw/zinc/22/58/42/222225842.db2.gz UDGOMVYXQYTWTA-GJZGRUSLSA-N 0 3 363.417 4.426 20 5 FIBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481715107 568093834 /nfs/dbraw/zinc/09/38/34/568093834.db2.gz WRFMFPATUWFOEK-IERDGZPVSA-N 0 3 352.434 4.486 20 5 FIBDHN O=[N+]([O-])c1ccccc1C[C@H](NCc1cc(-c2ccccc2)on1)C1CC1 ZINC000482011839 568226886 /nfs/dbraw/zinc/22/68/86/568226886.db2.gz FARKVCHFIULHEV-IBGZPJMESA-N 0 3 363.417 4.361 20 5 FIBDHN Cc1c(CN[C@H](c2ccc3c(c2)OCCO3)C(C)C)cccc1[N+](=O)[O-] ZINC000181983990 568340353 /nfs/dbraw/zinc/34/03/53/568340353.db2.gz IZVJJHGNCGQRSG-FQEVSTJZSA-N 0 3 356.422 4.161 20 5 FIBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC1(c2ccc(Cl)cc2)CC1 ZINC000569443635 568402470 /nfs/dbraw/zinc/40/24/70/568402470.db2.gz NBKKJEDEPYROGE-ZDUSSCGKSA-N 0 3 373.840 4.244 20 5 FIBDHN