smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc2c1CCCC2 ZINC001153456297 1088253032 /nfs/dbraw/zinc/25/30/32/1088253032.db2.gz WHTYZWMVDJKYJZ-UHFFFAOYSA-N 0 2 312.325 3.432 20 5 DGBDLN CCc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)ccc1F ZINC001157295033 1089902091 /nfs/dbraw/zinc/90/20/91/1089902091.db2.gz CRKJLQHQZXXKGX-UHFFFAOYSA-N 0 2 304.277 3.254 20 5 DGBDLN O=C(NCc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1O ZINC001294167614 1091355866 /nfs/dbraw/zinc/35/58/66/1091355866.db2.gz RGURHWRVPVCEBI-UHFFFAOYSA-N 0 2 322.320 3.384 20 5 DGBDLN CCOC(=O)c1ncsc1Nc1ccc(F)cc1[N+](=O)[O-] ZINC001210952806 1093333965 /nfs/dbraw/zinc/33/39/65/1093333965.db2.gz QRYIAWRCXBTMPW-UHFFFAOYSA-N 0 2 311.294 3.111 20 5 DGBDLN Cc1cc(-c2noc(-c3cc(O)ccc3[N+](=O)[O-])n2)cnc1C ZINC001216682421 1094249644 /nfs/dbraw/zinc/24/96/44/1094249644.db2.gz PLRSSDBBSWWQHR-UHFFFAOYSA-N 0 2 312.285 3.029 20 5 DGBDLN COc1cc(-c2nc(-c3ccccc3)no2)cc([N+](=O)[O-])c1O ZINC001216837264 1094268949 /nfs/dbraw/zinc/26/89/49/1094268949.db2.gz UASFTUFQVVBLKE-UHFFFAOYSA-N 0 2 313.269 3.026 20 5 DGBDLN Cc1cc(-c2noc(-c3c(O)cccc3[N+](=O)[O-])n2)cnc1C ZINC001216847183 1094270559 /nfs/dbraw/zinc/27/05/59/1094270559.db2.gz UHYXUIYNXOXZMN-UHFFFAOYSA-N 0 2 312.285 3.029 20 5 DGBDLN Cc1cc(Cl)cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1N ZINC001138013951 1095839113 /nfs/dbraw/zinc/83/91/13/1095839113.db2.gz ZVOLWHKYRGMQEE-UHFFFAOYSA-N 0 2 321.720 3.097 20 5 DGBDLN C[C@@H](COCc1ccccc1)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225620185 1096485488 /nfs/dbraw/zinc/48/54/88/1096485488.db2.gz OKYOLNHQNBYIEV-LBPRGKRZSA-N 0 2 303.314 3.285 20 5 DGBDLN CC(C)[C@H](Oc1cccc(O)c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001225620730 1096486346 /nfs/dbraw/zinc/48/63/46/1096486346.db2.gz TYGFDSIGGRCACZ-ZDUSSCGKSA-N 0 2 311.334 3.046 20 5 DGBDLN COC(=O)c1ccc([C@H](C)Oc2cccc(O)c2[N+](=O)[O-])cc1 ZINC001225622747 1096487652 /nfs/dbraw/zinc/48/76/52/1096487652.db2.gz JQXGUKIIVADMDE-JTQLQIEISA-N 0 2 317.297 3.227 20 5 DGBDLN O=[N+]([O-])c1ccc(O)cc1-c1nnc(Cc2cccc(F)c2)o1 ZINC001258571012 1106828478 /nfs/dbraw/zinc/82/84/78/1106828478.db2.gz CHDUGVBRYRVCMO-UHFFFAOYSA-N 0 2 315.260 3.080 20 5 DGBDLN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1c(F)cccc1F ZINC000092546281 185325106 /nfs/dbraw/zinc/32/51/06/185325106.db2.gz NDKSBXYGBVYJDV-MRVPVSSYSA-N 0 2 322.267 3.321 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(-n2cccc2)c1 ZINC000340541261 303999088 /nfs/dbraw/zinc/99/90/88/303999088.db2.gz CCDKXWDIHJMKTN-UHFFFAOYSA-N 0 2 323.308 3.343 20 5 DGBDLN C[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]2CCCC[C@H]12 ZINC000183849338 186224374 /nfs/dbraw/zinc/22/43/74/186224374.db2.gz BESBEKMBQIUTJQ-MAZHCROVSA-N 0 2 302.374 3.174 20 5 DGBDLN CCOc1ccccc1C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000005476035 181247888 /nfs/dbraw/zinc/24/78/88/181247888.db2.gz CXCIMZODIVFEIB-UHFFFAOYSA-N 0 2 316.313 3.254 20 5 DGBDLN Cc1cccc(C)c1CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166102774 432058802 /nfs/dbraw/zinc/05/88/02/432058802.db2.gz HGBMOEGDWZGOSY-UHFFFAOYSA-N 0 2 300.314 3.098 20 5 DGBDLN C[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179503968 432061098 /nfs/dbraw/zinc/06/10/98/432061098.db2.gz NPUVDSUQBSEVTA-WDMOLILDSA-N 0 2 304.346 3.094 20 5 DGBDLN Cc1cc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c(C)o1 ZINC000067594029 283703130 /nfs/dbraw/zinc/70/31/30/283703130.db2.gz XFQDIUPLBCDVHQ-VIFPVBQESA-N 0 2 304.302 3.001 20 5 DGBDLN O=C(Nc1nc(C2CCC2)cs1)c1ccc([N+](=O)[O-])cc1O ZINC000444522789 239295300 /nfs/dbraw/zinc/29/53/00/239295300.db2.gz IFANHEXDQHLDEE-UHFFFAOYSA-N 0 2 319.342 3.277 20 5 DGBDLN Cc1ccc(F)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000093930497 284014895 /nfs/dbraw/zinc/01/48/95/284014895.db2.gz OVLWVXYWCKVHTG-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN CCc1sc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1C ZINC000127803081 284352424 /nfs/dbraw/zinc/35/24/24/284352424.db2.gz UIXGNKMIYHAYLI-UHFFFAOYSA-N 0 2 306.343 3.485 20 5 DGBDLN C[C@H](CCc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000017156883 182077916 /nfs/dbraw/zinc/07/79/16/182077916.db2.gz DOMXIPUBYIUDHC-GFCCVEGCSA-N 0 2 314.341 3.052 20 5 DGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000181842022 432146637 /nfs/dbraw/zinc/14/66/37/432146637.db2.gz ZPGKZEFEOMDZOC-FZMZJTMJSA-N 0 2 304.346 3.095 20 5 DGBDLN O=C(Cc1ccc(Cl)s1)Nc1cc([N+](=O)[O-])ccc1O ZINC000338184803 253238354 /nfs/dbraw/zinc/23/83/54/253238354.db2.gz VAZHZCSETCBHDC-UHFFFAOYSA-N 0 2 312.734 3.197 20 5 DGBDLN O=C(/C=C\SCc1ccco1)Nc1cc([N+](=O)[O-])ccc1O ZINC000255500715 285159171 /nfs/dbraw/zinc/15/91/71/285159171.db2.gz PLNKWFWGZIEPPE-ALCCZGGFSA-N 0 2 320.326 3.279 20 5 DGBDLN CSc1cccc(F)c1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000343641992 254171869 /nfs/dbraw/zinc/17/18/69/254171869.db2.gz UVKRLTSHMCTPMR-UHFFFAOYSA-N 0 2 322.317 3.414 20 5 DGBDLN Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)s1 ZINC000120494910 195177588 /nfs/dbraw/zinc/17/75/88/195177588.db2.gz SXRDXZKWONSCLJ-UHFFFAOYSA-N 0 2 312.372 3.074 20 5 DGBDLN CCNc1cc(C)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000437000148 285623145 /nfs/dbraw/zinc/62/31/45/285623145.db2.gz NQDLEXAQVFJSAY-UHFFFAOYSA-N 0 2 315.329 3.293 20 5 DGBDLN CCC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000609122478 400141056 /nfs/dbraw/zinc/14/10/56/400141056.db2.gz LLOGPTBETUOJGR-YPMHNXCESA-N 0 2 306.362 3.389 20 5 DGBDLN O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000610650049 400284050 /nfs/dbraw/zinc/28/40/50/400284050.db2.gz OOWJVPKUBNQYNF-SGMGOOAPSA-N 0 2 318.373 3.389 20 5 DGBDLN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(Cl)c1 ZINC000611294690 400374868 /nfs/dbraw/zinc/37/48/68/400374868.db2.gz UYJPAOANMKCJRG-UHFFFAOYSA-N 0 2 322.704 3.215 20 5 DGBDLN Cc1ccc(S(=O)(=O)Nc2cc(F)ccc2C)c([N+](=O)[O-])c1 ZINC000158547944 400725168 /nfs/dbraw/zinc/72/51/68/400725168.db2.gz NSUAVQSYIMVJLU-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN Cc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C2CC2)o1 ZINC000603921719 400733108 /nfs/dbraw/zinc/73/31/08/400733108.db2.gz JAMLNPQUWHATDZ-UHFFFAOYSA-N 0 2 316.313 3.007 20 5 DGBDLN C[C@@H]1CC(CNC(=O)c2cccc(O)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000597979899 400711346 /nfs/dbraw/zinc/71/13/46/400711346.db2.gz PKVZUMUTQQFJJP-QWRGUYRKSA-N 0 2 306.362 3.103 20 5 DGBDLN C[C@H](Cc1cccc(F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000180774719 164894107 /nfs/dbraw/zinc/89/41/07/164894107.db2.gz RRKNAMBGLHWMEG-SNVBAGLBSA-N 0 2 318.304 3.257 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@H]1C1CCCC1 ZINC000132690394 196276210 /nfs/dbraw/zinc/27/62/10/196276210.db2.gz HQUUJNXDKCIGPZ-CYBMUJFWSA-N 0 2 304.346 3.095 20 5 DGBDLN CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)c1ccc(F)c(Cl)c1 ZINC000184047703 228380037 /nfs/dbraw/zinc/38/00/37/228380037.db2.gz BPWQLMWSVVBPMN-UHFFFAOYSA-N 0 2 324.695 3.370 20 5 DGBDLN Cn1ccc2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc21 ZINC000185432808 228392342 /nfs/dbraw/zinc/39/23/42/228392342.db2.gz NLHHUVFBTMPSER-UHFFFAOYSA-N 0 2 311.297 3.044 20 5 DGBDLN Cc1ccnc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc12 ZINC000354529269 265798257 /nfs/dbraw/zinc/79/82/57/265798257.db2.gz TVSOFPQSRMOOGY-UHFFFAOYSA-N 0 2 323.308 3.409 20 5 DGBDLN CC(C)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cn1 ZINC000356317932 266351917 /nfs/dbraw/zinc/35/19/17/266351917.db2.gz FRSKIIHDJGSABR-UHFFFAOYSA-N 0 2 301.302 3.071 20 5 DGBDLN CC(C)C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000188136193 279023533 /nfs/dbraw/zinc/02/35/33/279023533.db2.gz HRJSDLKJGSYYKB-LBPRGKRZSA-N 0 2 306.362 3.199 20 5 DGBDLN CCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000123087116 431855250 /nfs/dbraw/zinc/85/52/50/431855250.db2.gz IRRKGNNXZBWUHD-UHFFFAOYSA-N 0 2 316.313 3.342 20 5 DGBDLN Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1cccs1 ZINC000091054479 431900762 /nfs/dbraw/zinc/90/07/62/431900762.db2.gz TUGSFTONYCBMJJ-UHFFFAOYSA-N 0 2 312.372 3.074 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCc2c1cccc2Cl ZINC000155660419 432565125 /nfs/dbraw/zinc/56/51/25/432565125.db2.gz IIUSTSVFZOXSMY-UHFFFAOYSA-N 0 2 318.716 3.157 20 5 DGBDLN CCC[C@@H](C)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000156114700 432589769 /nfs/dbraw/zinc/58/97/69/432589769.db2.gz DEBNIIKXZLJDDI-DGCLKSJQSA-N 0 2 306.362 3.341 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCC2(CCCCC2)C1 ZINC000157885870 432632535 /nfs/dbraw/zinc/63/25/35/432632535.db2.gz YIAABSDCRSCCTK-UHFFFAOYSA-N 0 2 318.373 3.487 20 5 DGBDLN CCS[C@H]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000162876931 432836902 /nfs/dbraw/zinc/83/69/02/432836902.db2.gz MOUGUIGDLQFTRW-RYUDHWBXSA-N 0 2 324.402 3.047 20 5 DGBDLN CC(C)(C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000331221144 432936232 /nfs/dbraw/zinc/93/62/32/432936232.db2.gz APXACFGFBNRZOZ-LLVKDONJSA-N 0 2 306.362 3.199 20 5 DGBDLN CN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1CCc2ccccc21 ZINC000179409142 288919756 /nfs/dbraw/zinc/91/97/56/288919756.db2.gz LSWLTZZFIPWWSA-OAHLLOKOSA-N 0 2 312.325 3.060 20 5 DGBDLN C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000361485235 433202945 /nfs/dbraw/zinc/20/29/45/433202945.db2.gz MSGZXSRLTNUCNL-JQWIXIFHSA-N 0 2 306.362 3.245 20 5 DGBDLN CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000456327100 433592590 /nfs/dbraw/zinc/59/25/90/433592590.db2.gz IYFHCBUVRROMEB-UKRRQHHQSA-N 0 2 306.362 3.053 20 5 DGBDLN CCc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1C ZINC000436976694 434189358 /nfs/dbraw/zinc/18/93/58/434189358.db2.gz CQVCYDJXPFXQRI-UHFFFAOYSA-N 0 2 300.314 3.424 20 5 DGBDLN CC[C@@H](C)[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000357911078 434242253 /nfs/dbraw/zinc/24/22/53/434242253.db2.gz MVFMKIZQSIZDCX-DGCLKSJQSA-N 0 2 306.362 3.341 20 5 DGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC2(CCCC2)CC1 ZINC000297045323 304549759 /nfs/dbraw/zinc/54/97/59/304549759.db2.gz VFEPJIHRWIYJNH-UHFFFAOYSA-N 0 2 304.346 3.097 20 5 DGBDLN Cc1cccc(-c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)c1F ZINC000485962519 435585807 /nfs/dbraw/zinc/58/58/07/435585807.db2.gz YYCSKDXFYUUOJR-UHFFFAOYSA-N 0 2 315.260 3.465 20 5 DGBDLN CCN(Cc1ccc(C)cc1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000540925354 435626520 /nfs/dbraw/zinc/62/65/20/435626520.db2.gz QLLIDXWYGOGBEC-UHFFFAOYSA-N 0 2 314.341 3.271 20 5 DGBDLN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1O ZINC000479005905 304801485 /nfs/dbraw/zinc/80/14/85/304801485.db2.gz IDSKMZANAQBEMP-UHFFFAOYSA-N 0 2 301.233 3.157 20 5 DGBDLN C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)[C@@H]2CCCC[C@H]12 ZINC000565557954 315270356 /nfs/dbraw/zinc/27/03/56/315270356.db2.gz ZQRHMPNHQXXKBF-UXIGCNINSA-N 0 2 318.373 3.341 20 5 DGBDLN Cc1ccc2cccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)c2n1 ZINC000164499455 534483469 /nfs/dbraw/zinc/48/34/69/534483469.db2.gz ZSGRWOXNVMZJMP-UHFFFAOYSA-N 0 2 323.308 3.409 20 5 DGBDLN CC[C@H](C)n1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1C ZINC000437001294 529286788 /nfs/dbraw/zinc/28/67/88/529286788.db2.gz COQFGYVQTFUFOD-VIFPVBQESA-N 0 2 318.333 3.029 20 5 DGBDLN O=C(/C=C\c1ccc2[nH]ccc2c1)Nc1cc([N+](=O)[O-])ccc1O ZINC000770859244 622675948 /nfs/dbraw/zinc/67/59/48/622675948.db2.gz WIGBZIUVZCRABS-KXFIGUGUSA-N 0 2 323.308 3.434 20 5 DGBDLN O=C(CCCc1ccsc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000783591769 624372400 /nfs/dbraw/zinc/37/24/00/624372400.db2.gz ORLWCYGCNOTFBS-UHFFFAOYSA-N 0 2 306.343 3.323 20 5 DGBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(C2(c3cccc(Cl)c3)CCC2)no1 ZINC000867179574 630132680 /nfs/dbraw/zinc/13/26/80/630132680.db2.gz NZTBZBOPUAPSRE-VXGBXAGGSA-N 0 2 319.748 3.326 20 5 DGBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC000842488871 630540740 /nfs/dbraw/zinc/54/07/40/630540740.db2.gz YURXQVUOZWAMHB-RKDXNWHRSA-N 0 2 300.101 3.176 20 5 DGBDLN Cc1cc(C)cc(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC001447262481 1182185310 /nfs/dbraw/zinc/18/53/10/1182185310.db2.gz IMECTACZOZDODM-UHFFFAOYSA-N 0 2 300.314 3.098 20 5 DGBDLN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(C)cc1 ZINC001464671823 1183106251 /nfs/dbraw/zinc/10/62/51/1183106251.db2.gz BFEHCLZIVGGHAA-HNNXBMFYSA-N 0 2 314.341 3.490 20 5 DGBDLN O=C(NCC(C1CCC1)C1CCC1)c1ccc([N+](=O)[O-])cc1O ZINC001557641593 1189076358 /nfs/dbraw/zinc/07/63/58/1189076358.db2.gz MVEWLMORMWXVPV-UHFFFAOYSA-N 0 2 318.373 3.247 20 5 DGBDLN CC(C)[C@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC001627446665 1194129016 /nfs/dbraw/zinc/12/90/16/1194129016.db2.gz KFCGZAFKMQBUSH-RYUDHWBXSA-N 0 2 306.362 3.245 20 5 DGBDLN CCC[C@@H](C)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)n[nH]1 ZINC001627537199 1194134099 /nfs/dbraw/zinc/13/40/99/1194134099.db2.gz BMVHINMKUOWBDN-SECBINFHSA-N 0 2 318.333 3.179 20 5 DGBDLN Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)CC2 ZINC001628327856 1194172730 /nfs/dbraw/zinc/17/27/30/1194172730.db2.gz HYBCARYSBXJZHJ-HNNXBMFYSA-N 0 2 312.325 3.026 20 5 DGBDLN O=C(NCc1cccc(Cl)c1F)c1ccc([N+](=O)[O-])cc1O ZINC001630187911 1194273126 /nfs/dbraw/zinc/27/31/26/1194273126.db2.gz BPAUGHLSMKLAJQ-UHFFFAOYSA-N 0 2 324.695 3.023 20 5 DGBDLN CC(C)=C[C@H]1[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1(C)C ZINC001632236231 1194378370 /nfs/dbraw/zinc/37/83/70/1194378370.db2.gz FNNNPJBMVSHSPS-FZMZJTMJSA-N 0 2 304.346 3.477 20 5 DGBDLN O=C(Cc1ccc2cccnc2c1)Nc1cc([N+](=O)[O-])ccc1O ZINC001633355389 1194433363 /nfs/dbraw/zinc/43/33/63/1194433363.db2.gz IVKDXQGTBSVUTL-UHFFFAOYSA-N 0 2 323.308 3.030 20 5 DGBDLN O=C(NOC1CCCCC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001633568974 1194443087 /nfs/dbraw/zinc/44/30/87/1194443087.db2.gz IESNFZBNTVPEJY-UHFFFAOYSA-N 0 2 318.373 3.397 20 5 DGBDLN Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2O)ccc(F)c1F ZINC001142081511 1092406390 /nfs/dbraw/zinc/40/63/90/1092406390.db2.gz UGJYUUMFVBGBGL-UHFFFAOYSA-N 0 2 308.240 3.139 20 5 DGBDLN Cc1cc(F)cc(-c2noc(-c3c(O)cccc3[N+](=O)[O-])n2)c1 ZINC001216845396 1094269310 /nfs/dbraw/zinc/26/93/10/1094269310.db2.gz MRWUKWGCIPXSHW-UHFFFAOYSA-N 0 2 315.260 3.465 20 5 DGBDLN Cc1cc(-c2noc(-c3c(O)cccc3[N+](=O)[O-])n2)ccc1F ZINC001216845175 1094269593 /nfs/dbraw/zinc/26/95/93/1094269593.db2.gz AMJYVZACUKXCSN-UHFFFAOYSA-N 0 2 315.260 3.465 20 5 DGBDLN CC(C)Nc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001147696103 1096258819 /nfs/dbraw/zinc/25/88/19/1096258819.db2.gz RLHCQIVAZSWZRZ-UHFFFAOYSA-N 0 2 315.329 3.373 20 5 DGBDLN O=[N+]([O-])c1c(O)cccc1O[C@H]1C[C@H](OCc2ccccc2)C1 ZINC001225624387 1096487268 /nfs/dbraw/zinc/48/72/68/1096487268.db2.gz BHJXWYNPRYQHQV-HDJSIYSDSA-N 0 2 315.325 3.427 20 5 DGBDLN O=[N+]([O-])c1c(O)cc(O)cc1O[C@H]1CCc2cc(F)ccc21 ZINC001228975017 1097229830 /nfs/dbraw/zinc/22/98/30/1097229830.db2.gz XCKOJWIGLRBHFC-ZDUSSCGKSA-N 0 2 305.261 3.211 20 5 DGBDLN CC[C@@H](C)C[C@@H](C)NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000088299696 185245017 /nfs/dbraw/zinc/24/50/17/185245017.db2.gz AMXLDROFJJCWBX-RKDXNWHRSA-N 0 2 300.305 3.428 20 5 DGBDLN O=C(N[C@H]1CCCc2sccc21)c1ccc([N+](=O)[O-])c(O)c1 ZINC000137356912 303968754 /nfs/dbraw/zinc/96/87/54/303968754.db2.gz IRARCQVGWUNNBS-NSHDSACASA-N 0 2 318.354 3.169 20 5 DGBDLN CCC1(CC)CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CCS1 ZINC000330947011 282368928 /nfs/dbraw/zinc/36/89/28/282368928.db2.gz GAZRVFDLZXPQTN-UHFFFAOYSA-N 0 2 324.402 3.048 20 5 DGBDLN O=C(Nc1cccc2ncccc21)c1ccc([N+](=O)[O-])cc1O ZINC000184592682 304007822 /nfs/dbraw/zinc/00/78/22/304007822.db2.gz XZPJHYGSQXZYRC-UHFFFAOYSA-N 0 2 309.281 3.101 20 5 DGBDLN O=C(Nc1ccccc1OC(F)F)c1ccc([N+](=O)[O-])cc1O ZINC000184622942 304009275 /nfs/dbraw/zinc/00/92/75/304009275.db2.gz BUHKLUMEKLZYJU-UHFFFAOYSA-N 0 2 324.239 3.154 20 5 DGBDLN C[C@@H](Sc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000127802829 284352074 /nfs/dbraw/zinc/35/20/74/284352074.db2.gz WVNZDZWVEAPBMW-SNVBAGLBSA-N 0 2 318.354 3.420 20 5 DGBDLN Cc1ccc(S(=O)(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c(F)c1 ZINC000135609808 432130620 /nfs/dbraw/zinc/13/06/20/432130620.db2.gz QOFCBKGDQHYOHS-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN CCS[C@@H]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000162876830 284719120 /nfs/dbraw/zinc/71/91/20/284719120.db2.gz MOUGUIGDLQFTRW-NWDGAFQWSA-N 0 2 324.402 3.047 20 5 DGBDLN O=C(CCc1ccccc1F)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546161 400180968 /nfs/dbraw/zinc/18/09/68/400180968.db2.gz LVDRAJGCDDWONC-UHFFFAOYSA-N 0 2 304.277 3.011 20 5 DGBDLN CC1(C)C[C@@H](c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)CCO1 ZINC000351177861 400238241 /nfs/dbraw/zinc/23/82/41/400238241.db2.gz HBFAXOHOMVNORH-JTQLQIEISA-N 0 2 319.317 3.023 20 5 DGBDLN CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1CCc2ccccc21 ZINC000030980193 400335564 /nfs/dbraw/zinc/33/55/64/400335564.db2.gz LUOPZVIMUIQSKN-CQSZACIVSA-N 0 2 312.325 3.060 20 5 DGBDLN O=C(N[C@H](c1ccccc1)C1CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000031041163 400336640 /nfs/dbraw/zinc/33/66/40/400336640.db2.gz INYLSLSFEYAYCQ-MRXNPFEDSA-N 0 2 312.325 3.182 20 5 DGBDLN Cc1cccc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)c1 ZINC000590597457 400400591 /nfs/dbraw/zinc/40/05/91/400400591.db2.gz BQOMGQKOZUSWNW-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN C[C@H]1CC(CNC(=O)c2cccc(O)c2[N+](=O)[O-])C[C@H](C)C1 ZINC000597979898 400711148 /nfs/dbraw/zinc/71/11/48/400711148.db2.gz PKVZUMUTQQFJJP-GHMZBOCLSA-N 0 2 306.362 3.103 20 5 DGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCCC[C@@H]1CC1CCC1 ZINC000598458902 400816311 /nfs/dbraw/zinc/81/63/11/400816311.db2.gz AZHROMDYCDDFGT-CYBMUJFWSA-N 0 2 318.373 3.485 20 5 DGBDLN Cc1cccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000055546810 400876701 /nfs/dbraw/zinc/87/67/01/400876701.db2.gz IMHCZJKMGODWST-UHFFFAOYSA-N 0 2 306.343 3.012 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H]1C1CCCC1 ZINC000132690613 196276065 /nfs/dbraw/zinc/27/60/65/196276065.db2.gz HQUUJNXDKCIGPZ-ZDUSSCGKSA-N 0 2 304.346 3.095 20 5 DGBDLN O=C(Nc1ccccc1OC(F)F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000175234214 228298602 /nfs/dbraw/zinc/29/86/02/228298602.db2.gz FRGNMXTVIXEVKD-UHFFFAOYSA-N 0 2 324.239 3.154 20 5 DGBDLN O=C(NCc1ccccc1[N+](=O)[O-])c1cc(F)cc(Cl)c1O ZINC000178083757 228336895 /nfs/dbraw/zinc/33/68/95/228336895.db2.gz IZSFSNGYHAHYJE-UHFFFAOYSA-N 0 2 324.695 3.023 20 5 DGBDLN O=C(Nc1ccc2ncccc2c1)c1ccc([N+](=O)[O-])cc1O ZINC000184662955 228385525 /nfs/dbraw/zinc/38/55/25/228385525.db2.gz QHBAQTSFUYPSFS-UHFFFAOYSA-N 0 2 309.281 3.101 20 5 DGBDLN O=C(Nc1ccc(F)c(Cl)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000070870884 431261131 /nfs/dbraw/zinc/26/11/31/431261131.db2.gz JCFDTYZASIVYAQ-UHFFFAOYSA-N 0 2 310.668 3.345 20 5 DGBDLN CCS[C@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000078249246 431651072 /nfs/dbraw/zinc/65/10/72/431651072.db2.gz NJUIRXLFJXZPDW-RISCZKNCSA-N 0 2 324.402 3.095 20 5 DGBDLN CCCCN(CC(F)(F)F)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000271324191 432374197 /nfs/dbraw/zinc/37/41/97/432374197.db2.gz XWKYBGDNVCRFDD-UHFFFAOYSA-N 0 2 320.267 3.105 20 5 DGBDLN CN(Cc1ccccc1Cl)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000194738546 432571750 /nfs/dbraw/zinc/57/17/50/432571750.db2.gz CSOCHGAZPUZIIL-UHFFFAOYSA-N 0 2 320.732 3.226 20 5 DGBDLN CN(Cc1cccc(Cl)c1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000194739049 432572071 /nfs/dbraw/zinc/57/20/71/432572071.db2.gz UYCRLEBEMVODNV-UHFFFAOYSA-N 0 2 320.732 3.226 20 5 DGBDLN CCc1ccccc1CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000189033207 432760844 /nfs/dbraw/zinc/76/08/44/432760844.db2.gz ACJPTODGZHJGNN-UHFFFAOYSA-N 0 2 300.314 3.044 20 5 DGBDLN O=[N+]([O-])c1ccc(-c2nc([C@H]3CCCCS3)no2)cc1O ZINC000277785191 432876116 /nfs/dbraw/zinc/87/61/16/432876116.db2.gz FLQCFZRAPUNOLO-LLVKDONJSA-N 0 2 307.331 3.309 20 5 DGBDLN O=C(C[C@@H]1C[C@@H]1c1ccccc1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000354622630 433184408 /nfs/dbraw/zinc/18/44/08/433184408.db2.gz ZMQOORWVKLZZJJ-GXTWGEPZSA-N 0 2 312.325 3.433 20 5 DGBDLN O=C(N[C@H](c1ccccc1)C(F)F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000351509314 433537978 /nfs/dbraw/zinc/53/79/78/433537978.db2.gz XRYOFXYSKMRAQV-CYBMUJFWSA-N 0 2 322.267 3.037 20 5 DGBDLN CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)[C@H]1C(C)C ZINC000456327101 433593792 /nfs/dbraw/zinc/59/37/92/433593792.db2.gz IYFHCBUVRROMEB-ZFWWWQNUSA-N 0 2 306.362 3.053 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(C(F)F)cc1 ZINC000356290606 433568479 /nfs/dbraw/zinc/56/84/79/433568479.db2.gz GFRLINMZXYJRKJ-UHFFFAOYSA-N 0 2 308.240 3.490 20 5 DGBDLN CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000456358183 433614672 /nfs/dbraw/zinc/61/46/72/433614672.db2.gz YJPLEESOLVIUNB-UKRRQHHQSA-N 0 2 306.362 3.053 20 5 DGBDLN CC(C)(C)c1nnc(SCc2cc(O)ccc2[N+](=O)[O-])[nH]1 ZINC000436475794 433973266 /nfs/dbraw/zinc/97/32/66/433973266.db2.gz QBSMHUOTOCRWNJ-UHFFFAOYSA-N 0 2 308.363 3.008 20 5 DGBDLN CC(C)(C)c1n[nH]c(SCc2cc(O)ccc2[N+](=O)[O-])n1 ZINC000436475794 433973275 /nfs/dbraw/zinc/97/32/75/433973275.db2.gz QBSMHUOTOCRWNJ-UHFFFAOYSA-N 0 2 308.363 3.008 20 5 DGBDLN CCCc1cc(=O)[nH]c(SCc2cc(O)ccc2[N+](=O)[O-])n1 ZINC000436476196 433975784 /nfs/dbraw/zinc/97/57/84/433975784.db2.gz RAIOHXHRFQGJFK-UHFFFAOYSA-N 0 2 321.358 3.041 20 5 DGBDLN CC[C@@H](C)n1ncc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1C ZINC000436598516 434032670 /nfs/dbraw/zinc/03/26/70/434032670.db2.gz ZSJRZIYDXOYEBJ-SECBINFHSA-N 0 2 318.333 3.029 20 5 DGBDLN CCC(=O)c1ccc(O)c(NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000436645497 434052171 /nfs/dbraw/zinc/05/21/71/434052171.db2.gz MEWQJKWKSYLYOE-UHFFFAOYSA-N 0 2 314.297 3.145 20 5 DGBDLN C[C@H](CCCC(F)(F)F)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436820916 434121093 /nfs/dbraw/zinc/12/10/93/434121093.db2.gz IUTZPCTXSOLDGL-MRVPVSSYSA-N 0 2 320.267 3.151 20 5 DGBDLN CCOc1ccc(F)c(NC(=O)c2ccc([N+](=O)[O-])o2)c1F ZINC000340423644 434124364 /nfs/dbraw/zinc/12/43/64/434124364.db2.gz KWFFUOIKOCMKPA-UHFFFAOYSA-N 0 2 312.228 3.117 20 5 DGBDLN Cc1cc(C)cc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000502995757 294182275 /nfs/dbraw/zinc/18/22/75/294182275.db2.gz ZCGVWGLZGCDBKD-LBPRGKRZSA-N 0 2 314.341 3.408 20 5 DGBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(F)cc1F ZINC000436870578 434146269 /nfs/dbraw/zinc/14/62/69/434146269.db2.gz NVUFPCNMVMXDJQ-QMMMGPOBSA-N 0 2 322.267 3.070 20 5 DGBDLN COc1c(Cl)cccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436950265 434183507 /nfs/dbraw/zinc/18/35/07/434183507.db2.gz BJEFPADGGBVXEK-UHFFFAOYSA-N 0 2 322.704 3.215 20 5 DGBDLN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1c(F)cccc1F ZINC000436953253 434185116 /nfs/dbraw/zinc/18/51/16/434185116.db2.gz NLXRJLBNUUPXEO-QMMMGPOBSA-N 0 2 322.267 3.070 20 5 DGBDLN C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1 ZINC000324159750 434270430 /nfs/dbraw/zinc/27/04/30/434270430.db2.gz CREFJIUUCFOFJX-GFCCVEGCSA-N 0 2 314.341 3.224 20 5 DGBDLN CC[C@@H](CC(F)(F)F)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000402619554 434502825 /nfs/dbraw/zinc/50/28/25/434502825.db2.gz JCGHXJIHXSRFHE-ZETCQYMHSA-N 0 2 306.240 3.218 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCC2(CCCC2)C1 ZINC000438687477 434522594 /nfs/dbraw/zinc/52/25/94/434522594.db2.gz MUIBWGQAFLYGGZ-UHFFFAOYSA-N 0 2 304.346 3.097 20 5 DGBDLN C[C@@H]1c2ccccc2CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000185532465 297825188 /nfs/dbraw/zinc/82/51/88/297825188.db2.gz UCTDRSCBSGJZJW-LLVKDONJSA-N 0 2 312.325 3.060 20 5 DGBDLN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000568461764 435437671 /nfs/dbraw/zinc/43/76/71/435437671.db2.gz XPAZIUIMWGRSRW-UONOGXRCSA-N 0 2 314.389 3.187 20 5 DGBDLN Cc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)c(Cl)c1 ZINC000538874255 435527614 /nfs/dbraw/zinc/52/76/14/435527614.db2.gz ZSDZIBQHZQUEGQ-UHFFFAOYSA-N 0 2 320.732 3.443 20 5 DGBDLN O=[N+]([O-])c1ccc(-c2nc([C@@H]3CCC(F)(F)C3)no2)cc1O ZINC000281240968 304801622 /nfs/dbraw/zinc/80/16/22/304801622.db2.gz CZFVGSTWESIADV-MRVPVSSYSA-N 0 2 311.244 3.253 20 5 DGBDLN Cc1cccc(C)c1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000546218056 314296298 /nfs/dbraw/zinc/29/62/98/314296298.db2.gz RYKOEOAESBNZHO-GFCCVEGCSA-N 0 2 314.341 3.408 20 5 DGBDLN CCN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)c1ccccc1C ZINC000573845806 315905476 /nfs/dbraw/zinc/90/54/76/315905476.db2.gz TVLUYAGORUOANZ-UHFFFAOYSA-N 0 2 300.314 3.276 20 5 DGBDLN Cc1cccc(C)c1CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000180880296 323240919 /nfs/dbraw/zinc/24/09/19/323240919.db2.gz VZDHOYBUBBLZQC-UHFFFAOYSA-N 0 2 300.314 3.098 20 5 DGBDLN C[C@H](CCCC(F)(F)F)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000427974464 533838099 /nfs/dbraw/zinc/83/80/99/533838099.db2.gz RFNZSAXGVSADJE-MRVPVSSYSA-N 0 2 320.267 3.151 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCCc2ccccc21 ZINC000185145978 534719350 /nfs/dbraw/zinc/71/93/50/534719350.db2.gz QGBSDVZSHUWMRS-UHFFFAOYSA-N 0 2 312.325 3.284 20 5 DGBDLN CC(C)(CCC(=O)Nc1cc(Cl)c(O)c(Cl)c1)[N+](=O)[O-] ZINC000297017956 527006831 /nfs/dbraw/zinc/00/68/31/527006831.db2.gz GRULVMDNAPIUMR-UHFFFAOYSA-N 0 2 321.160 3.473 20 5 DGBDLN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)Cc2ccccc21 ZINC000771913338 622814554 /nfs/dbraw/zinc/81/45/54/622814554.db2.gz UPWLQJYPIYXZBS-LLVKDONJSA-N 0 2 312.325 3.060 20 5 DGBDLN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cccc(Cl)c1O ZINC000775654634 623306273 /nfs/dbraw/zinc/30/62/73/623306273.db2.gz NRWMWFHEDDNPTN-UHFFFAOYSA-N 0 2 320.732 3.226 20 5 DGBDLN O=C(NC[C@H]1CCC=CCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000890050911 627498215 /nfs/dbraw/zinc/49/82/15/627498215.db2.gz YURLCUNRISSZGF-LBPRGKRZSA-N 0 2 304.346 3.167 20 5 DGBDLN Cc1ccc(N(Cc2cccs2)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000840334557 627856225 /nfs/dbraw/zinc/85/62/25/627856225.db2.gz JGOPQNGQKCBMCR-HUUCEWRRSA-N 0 2 316.382 3.255 20 5 DGBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(Cc1ccco1)c1ccc(Cl)cc1 ZINC000840335506 627858704 /nfs/dbraw/zinc/85/87/04/627858704.db2.gz PSRKVTXTBJXLAK-ZIAGYGMSSA-N 0 2 320.732 3.131 20 5 DGBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(-c2c(Cl)cccc2Cl)no1 ZINC000841729028 630460115 /nfs/dbraw/zinc/46/01/15/630460115.db2.gz AOBTWRNFAKRTHC-SVGQVSJJSA-N 0 2 300.101 3.176 20 5 DGBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(Cc2cc3ccccc3s2)no1 ZINC000842507119 630543336 /nfs/dbraw/zinc/54/33/36/630543336.db2.gz OFZCFVHGGPMYIG-GHMZBOCLSA-N 0 2 301.327 3.008 20 5 DGBDLN CSC1(CNC(=O)c2ccc([N+](=O)[O-])cc2O)CCCCC1 ZINC001596317082 1192689373 /nfs/dbraw/zinc/68/93/73/1192689373.db2.gz JKBGFZODNJBVLG-UHFFFAOYSA-N 0 2 324.402 3.096 20 5 DGBDLN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(Cl)c1O ZINC001452181798 1182284290 /nfs/dbraw/zinc/28/42/90/1182284290.db2.gz IYXRTLKFULBPGT-UHFFFAOYSA-N 0 2 321.720 3.248 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc2cccc(O)c21 ZINC001466629065 1183215578 /nfs/dbraw/zinc/21/55/78/1183215578.db2.gz PGKCHHKVELPIER-UHFFFAOYSA-N 0 2 324.292 3.412 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc2cc(O)ccc21 ZINC001466628992 1183215707 /nfs/dbraw/zinc/21/57/07/1183215707.db2.gz NCNZYNYWWLPEBI-UHFFFAOYSA-N 0 2 324.292 3.412 20 5 DGBDLN O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1O ZINC001540485497 1188241380 /nfs/dbraw/zinc/24/13/80/1188241380.db2.gz LAMCJLQTXUYIDL-FRRDWIJNSA-N 0 2 318.373 3.389 20 5 DGBDLN CCCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C1CCC1 ZINC001566414872 1189769697 /nfs/dbraw/zinc/76/96/97/1189769697.db2.gz OPLMRRFDWSYSJH-CQSZACIVSA-N 0 2 306.362 3.389 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1C[C@@]1(F)c1ccccc1 ZINC001567229935 1190081832 /nfs/dbraw/zinc/08/18/32/1190081832.db2.gz OAPSNESFVRDOBJ-MLGOLLRUSA-N 0 2 316.288 3.124 20 5 DGBDLN O=C(Cc1ccc2cnccc2c1)Nc1cc([N+](=O)[O-])ccc1O ZINC001567229553 1190082069 /nfs/dbraw/zinc/08/20/69/1190082069.db2.gz JQNWIMTWIWQWTB-UHFFFAOYSA-N 0 2 323.308 3.030 20 5 DGBDLN C[C@H](Cc1cccs1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC001635204727 1194538063 /nfs/dbraw/zinc/53/80/63/1194538063.db2.gz CBBDHIGEPWEMPK-SNVBAGLBSA-N 0 2 320.370 3.065 20 5 DGBDLN Cc1cc(C(F)F)oc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001637881622 1194691514 /nfs/dbraw/zinc/69/15/14/1194691514.db2.gz KXQJJSMCAZOAQE-UHFFFAOYSA-N 0 2 312.228 3.392 20 5 DGBDLN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1ocnc1C(F)F ZINC001128305017 1090933894 /nfs/dbraw/zinc/93/38/94/1090933894.db2.gz JEBNSGYEZHGPQS-UHFFFAOYSA-N 0 2 315.207 3.220 20 5 DGBDLN O=C(NCc1ccc(F)c(Cl)c1)c1ccc([N+](=O)[O-])cc1O ZINC001292543211 1091164827 /nfs/dbraw/zinc/16/48/27/1091164827.db2.gz OLXCKSDJFAVSQX-UHFFFAOYSA-N 0 2 324.695 3.023 20 5 DGBDLN O=[N+]([O-])c1ccc(O)cc1-c1nc(-c2cccc(F)c2F)no1 ZINC001216678894 1094247915 /nfs/dbraw/zinc/24/79/15/1094247915.db2.gz WYBSRPLYVFWQQF-UHFFFAOYSA-N 0 2 319.223 3.296 20 5 DGBDLN Cc1ccc(-c2nc(-c3ccc(F)cc3)no2)c([N+](=O)[O-])c1O ZINC001216856711 1094269987 /nfs/dbraw/zinc/26/99/87/1094269987.db2.gz JXWVXPORJJMQOT-UHFFFAOYSA-N 0 2 315.260 3.465 20 5 DGBDLN Cc1ccc(-c2nc(-c3cccnc3C)no2)c([N+](=O)[O-])c1O ZINC001216856890 1094271243 /nfs/dbraw/zinc/27/12/43/1094271243.db2.gz SPYAYWAXKDKIME-UHFFFAOYSA-N 0 2 312.285 3.029 20 5 DGBDLN Cc1ccc(-c2nc(-c3ccccc3F)no2)c([N+](=O)[O-])c1O ZINC001216857035 1094271386 /nfs/dbraw/zinc/27/13/86/1094271386.db2.gz WNVVLEYOOZDJLK-UHFFFAOYSA-N 0 2 315.260 3.465 20 5 DGBDLN Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC001137948491 1095798132 /nfs/dbraw/zinc/79/81/32/1095798132.db2.gz SGWVFUCYHZCDTJ-GFCCVEGCSA-N 0 2 314.341 3.408 20 5 DGBDLN COC(=O)c1ccc([C@@H](C)Oc2cccc(O)c2[N+](=O)[O-])cc1 ZINC001225622748 1096487333 /nfs/dbraw/zinc/48/73/33/1096487333.db2.gz JQXGUKIIVADMDE-SNVBAGLBSA-N 0 2 317.297 3.227 20 5 DGBDLN C[C@@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])c1cccc(N(C)C)c1 ZINC001228973778 1097229780 /nfs/dbraw/zinc/22/97/80/1097229780.db2.gz MCNVUJCAWQNMPN-SNVBAGLBSA-N 0 2 318.329 3.212 20 5 DGBDLN O=[N+]([O-])c1c(O)cc(O)cc1O[C@@H]1CCc2cc(F)ccc21 ZINC001228975016 1097230387 /nfs/dbraw/zinc/23/03/87/1097230387.db2.gz XCKOJWIGLRBHFC-CYBMUJFWSA-N 0 2 305.261 3.211 20 5 DGBDLN COc1ccc(-c2nnc(-c3ccc([N+](=O)[O-])cc3O)o2)cc1 ZINC001252021293 1105727618 /nfs/dbraw/zinc/72/76/18/1105727618.db2.gz CEGDLCHBROYOIK-UHFFFAOYSA-N 0 2 313.269 3.026 20 5 DGBDLN COc1cc(-c2nnc(-c3ccccc3)o2)cc([N+](=O)[O-])c1O ZINC001253130584 1105896557 /nfs/dbraw/zinc/89/65/57/1105896557.db2.gz CJIZWRVEXCCAMN-UHFFFAOYSA-N 0 2 313.269 3.026 20 5 DGBDLN Cc1cc([C@H]2CCCCN2Cc2cc(O)ccc2[N+](=O)[O-])[nH]n1 ZINC001308110064 1111379574 /nfs/dbraw/zinc/37/95/74/1111379574.db2.gz UWURAGQCYKGBOZ-MRXNPFEDSA-N 0 2 316.361 3.059 20 5 DGBDLN Cc1cc([C@H]2CCCCN2Cc2cc(O)ccc2[N+](=O)[O-])n[nH]1 ZINC001308110064 1111379578 /nfs/dbraw/zinc/37/95/78/1111379578.db2.gz UWURAGQCYKGBOZ-MRXNPFEDSA-N 0 2 316.361 3.059 20 5 DGBDLN CCc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000436748766 529635299 /nfs/dbraw/zinc/63/52/99/529635299.db2.gz VDRJCIUXNSTFNE-UHFFFAOYSA-N 0 2 314.341 3.135 20 5 DGBDLN CC(C)C[C@H](C)OCCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092547477 185325310 /nfs/dbraw/zinc/32/53/10/185325310.db2.gz MSYLNTRAFVSMGT-NSHDSACASA-N 0 2 310.350 3.080 20 5 DGBDLN CC(C)[C@H]1C[C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2O)CCO1 ZINC000272812031 210213767 /nfs/dbraw/zinc/21/37/67/210213767.db2.gz MAPZMLQOLVJOMS-IAQYHMDHSA-N 0 2 322.361 3.080 20 5 DGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@H]1c1cccs1 ZINC000181798509 199353298 /nfs/dbraw/zinc/35/32/98/199353298.db2.gz OEZOSACRJDEENT-LBPRGKRZSA-N 0 2 318.354 3.339 20 5 DGBDLN C[C@H](c1ccco1)N(C(=O)c1cc([N+](=O)[O-])ccc1O)C1CC1 ZINC000179449332 199037006 /nfs/dbraw/zinc/03/70/06/199037006.db2.gz OGYYUDKGPLOXSV-SNVBAGLBSA-N 0 2 316.313 3.259 20 5 DGBDLN O=[N+]([O-])c1ccc(-c2nc(-c3cccc4[nH]ccc43)no2)cc1O ZINC000445209076 239393857 /nfs/dbraw/zinc/39/38/57/239393857.db2.gz MCSRHSAEQLGQDW-UHFFFAOYSA-N 0 2 322.280 3.499 20 5 DGBDLN Cc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)c(F)c1 ZINC000105386380 284040215 /nfs/dbraw/zinc/04/02/15/284040215.db2.gz JSLWFIYWZSDPLG-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN CCC[C@]1(C)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000158081239 284053789 /nfs/dbraw/zinc/05/37/89/284053789.db2.gz LCCBGEQSMTZFRV-MRXNPFEDSA-N 0 2 306.362 3.343 20 5 DGBDLN O=C(Nc1ccc2scnc2c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000171309346 432123067 /nfs/dbraw/zinc/12/30/67/432123067.db2.gz MRTXXRXHGVZODJ-UHFFFAOYSA-N 0 2 315.310 3.162 20 5 DGBDLN COc1cc(NCCCNc2ccccn2)c(F)cc1[N+](=O)[O-] ZINC000271681302 209120915 /nfs/dbraw/zinc/12/09/15/209120915.db2.gz ZEMQORDAYZIZLB-UHFFFAOYSA-N 0 2 320.324 3.052 20 5 DGBDLN C[C@@H](c1ccccc1)N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000018125078 182094046 /nfs/dbraw/zinc/09/40/46/182094046.db2.gz FDAMJXLIHDNAEB-NSHDSACASA-N 0 2 300.314 3.134 20 5 DGBDLN CCCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000022745343 182332321 /nfs/dbraw/zinc/33/23/21/182332321.db2.gz IGPYPAKTIGULHA-UHFFFAOYSA-N 0 2 314.341 3.353 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1(c2ccccc2F)CC1 ZINC000135341707 284471742 /nfs/dbraw/zinc/47/17/42/284471742.db2.gz ILMNYFZOMABZKL-UHFFFAOYSA-N 0 2 316.288 3.110 20 5 DGBDLN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC(C)(C)C1 ZINC000344938366 254317592 /nfs/dbraw/zinc/31/75/92/254317592.db2.gz JLZSIFRVHKTPGJ-UHFFFAOYSA-N 0 2 306.362 3.199 20 5 DGBDLN O=C(Cc1c(F)cccc1Cl)Nc1cc([N+](=O)[O-])ccc1O ZINC000120868862 195254044 /nfs/dbraw/zinc/25/40/44/195254044.db2.gz YDKMSWSBIUYEBX-UHFFFAOYSA-N 0 2 324.695 3.274 20 5 DGBDLN CSCc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000067180852 400150980 /nfs/dbraw/zinc/15/09/80/400150980.db2.gz CGZFBFYELWNCME-UHFFFAOYSA-N 0 2 318.354 3.416 20 5 DGBDLN Cc1cccc2c1CC[C@H]2NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000104927265 400317407 /nfs/dbraw/zinc/31/74/07/400317407.db2.gz DJVQIAAWSZPFHG-CQSZACIVSA-N 0 2 312.325 3.026 20 5 DGBDLN O=C1CC(c2ccc(Cl)cc2)=NN1c1cccc([N+](=O)[O-])c1 ZINC000603924022 400733302 /nfs/dbraw/zinc/73/33/02/400733302.db2.gz VUARQAIEOHEWSW-UHFFFAOYSA-N 0 2 315.716 3.389 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC2CC1(c1ccccc1)C2 ZINC000598556409 400830194 /nfs/dbraw/zinc/83/01/94/400830194.db2.gz UJUWRSDWCBQFFI-UHFFFAOYSA-N 0 2 324.336 3.062 20 5 DGBDLN C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599073956 400951835 /nfs/dbraw/zinc/95/18/35/400951835.db2.gz ODQQIYYFMPAQIX-DYVFJYSZSA-N 0 2 303.406 3.262 20 5 DGBDLN Cc1cc(C)cc(N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000157612881 228233731 /nfs/dbraw/zinc/23/37/31/228233731.db2.gz AAICULCIBFZZKH-UHFFFAOYSA-N 0 2 300.314 3.194 20 5 DGBDLN O=C(Nc1cccc(OC(F)F)c1)c1ccc([N+](=O)[O-])cc1O ZINC000159288105 228240476 /nfs/dbraw/zinc/24/04/76/228240476.db2.gz OVULLPTWYABGLW-UHFFFAOYSA-N 0 2 324.239 3.154 20 5 DGBDLN O=C(Nc1cccc2cccnc21)c1ccc(O)c([N+](=O)[O-])c1 ZINC000164010212 228263512 /nfs/dbraw/zinc/26/35/12/228263512.db2.gz IJHQUWGTTCAXPY-UHFFFAOYSA-N 0 2 309.281 3.101 20 5 DGBDLN C[C@@H](c1cccs1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184669301 228385622 /nfs/dbraw/zinc/38/56/22/228385622.db2.gz TXNBFEQPEPAFCH-VIFPVBQESA-N 0 2 306.343 3.195 20 5 DGBDLN CC(C)(C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000307772464 278335623 /nfs/dbraw/zinc/33/56/23/278335623.db2.gz IHIAHCXNPBQAMG-NSHDSACASA-N 0 2 306.362 3.199 20 5 DGBDLN CC(C)C[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182101752 279206151 /nfs/dbraw/zinc/20/61/51/279206151.db2.gz WAFBSBAWPXMCMJ-GFCCVEGCSA-N 0 2 306.362 3.341 20 5 DGBDLN CC(C)C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000182105601 279209730 /nfs/dbraw/zinc/20/97/30/279209730.db2.gz FKRRZZIVGJPJIU-GFCCVEGCSA-N 0 2 306.362 3.199 20 5 DGBDLN O=C(NCc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000074384219 431418975 /nfs/dbraw/zinc/41/89/75/431418975.db2.gz KFTQZPQAFHOUJM-UHFFFAOYSA-N 0 2 322.320 3.384 20 5 DGBDLN CC(C)Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000077243734 431576261 /nfs/dbraw/zinc/57/62/61/431576261.db2.gz KFVWAUSIOPEFFH-UHFFFAOYSA-N 0 2 316.313 3.340 20 5 DGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cc2sccc2[nH]1 ZINC000192207541 432345606 /nfs/dbraw/zinc/34/56/06/432345606.db2.gz NCNXXDCADYBMRN-UHFFFAOYSA-N 0 2 303.299 3.096 20 5 DGBDLN O=C(Nc1cccc2cccnc21)c1ccc([N+](=O)[O-])cc1O ZINC000184597827 432411822 /nfs/dbraw/zinc/41/18/22/432411822.db2.gz AQXZTARCFZANTH-UHFFFAOYSA-N 0 2 309.281 3.101 20 5 DGBDLN CSc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184622752 432412658 /nfs/dbraw/zinc/41/26/58/432412658.db2.gz QDZAIQGDPAWNSY-UHFFFAOYSA-N 0 2 304.327 3.275 20 5 DGBDLN CCC[C@H]1[C@H](C)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000187375757 432660450 /nfs/dbraw/zinc/66/04/50/432660450.db2.gz IMDCYCXKKNWRPZ-RISCZKNCSA-N 0 2 306.362 3.341 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC2(CCCC2)CC1 ZINC000274715780 432701206 /nfs/dbraw/zinc/70/12/06/432701206.db2.gz MYQIALGSONRSAQ-UHFFFAOYSA-N 0 2 304.346 3.097 20 5 DGBDLN Cn1ccc2cccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)c21 ZINC000188130517 432708201 /nfs/dbraw/zinc/70/82/01/432708201.db2.gz BAISDDLUCOXTCD-UHFFFAOYSA-N 0 2 311.297 3.044 20 5 DGBDLN C[C@@H](CC1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000446719155 433087466 /nfs/dbraw/zinc/08/74/66/433087466.db2.gz MPCURFOFIUDDOM-NSHDSACASA-N 0 2 306.362 3.389 20 5 DGBDLN O=C(C[C@@H]1C[C@H]1c1ccccc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000354524936 433128158 /nfs/dbraw/zinc/12/81/58/433128158.db2.gz ICMWSXKWXBARHT-JSGCOSHPSA-N 0 2 312.325 3.433 20 5 DGBDLN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Cl)o3)no2)cc1O ZINC000350904554 433323955 /nfs/dbraw/zinc/32/39/55/433323955.db2.gz DVPIIXSNISHGSE-UHFFFAOYSA-N 0 2 307.649 3.264 20 5 DGBDLN Cc1nsc(C)c1-c1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000426597845 433539933 /nfs/dbraw/zinc/53/99/33/433539933.db2.gz FMDJQESKFCJIAG-UHFFFAOYSA-N 0 2 318.314 3.091 20 5 DGBDLN O=C(Cc1cccc(Cl)c1F)Nc1cc([N+](=O)[O-])ccc1O ZINC000362962943 433933496 /nfs/dbraw/zinc/93/34/96/433933496.db2.gz HHZXNVYXHQXVFD-UHFFFAOYSA-N 0 2 324.695 3.274 20 5 DGBDLN CC(C)[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1cccnc1 ZINC000436152828 433890022 /nfs/dbraw/zinc/89/00/22/433890022.db2.gz KOBPHBVEAFRLKP-HNNXBMFYSA-N 0 2 315.329 3.074 20 5 DGBDLN CCc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1F ZINC000507622240 294306947 /nfs/dbraw/zinc/30/69/47/294306947.db2.gz RTTNXKUPDRKZBA-UHFFFAOYSA-N 0 2 324.333 3.097 20 5 DGBDLN CC(=O)c1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000436867017 434141626 /nfs/dbraw/zinc/14/16/26/434141626.db2.gz BTQUXLVHODOYCZ-UHFFFAOYSA-N 0 2 314.297 3.064 20 5 DGBDLN Cc1cc2cccnc2c(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436890030 434158229 /nfs/dbraw/zinc/15/82/29/434158229.db2.gz DEULTJZGCSAYOJ-UHFFFAOYSA-N 0 2 323.308 3.409 20 5 DGBDLN CCC1CCC(N(C)C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000436949632 434179482 /nfs/dbraw/zinc/17/94/82/434179482.db2.gz ADATUGJTNWMVKD-UHFFFAOYSA-N 0 2 306.362 3.341 20 5 DGBDLN CCCCC[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436966637 434187005 /nfs/dbraw/zinc/18/70/05/434187005.db2.gz OCMGPFAOJYTGES-LBPRGKRZSA-N 0 2 306.362 3.485 20 5 DGBDLN O=C(Nc1cc(F)cc(Cl)c1O)c1ccc([N+](=O)[O-])cc1 ZINC000353885893 434501221 /nfs/dbraw/zinc/50/12/21/434501221.db2.gz DXQMRTSYDQBQLG-UHFFFAOYSA-N 0 2 310.668 3.345 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCCC2(CCCC2)C1 ZINC000438563816 434511973 /nfs/dbraw/zinc/51/19/73/434511973.db2.gz WCSWFNGTZAQGHS-UHFFFAOYSA-N 0 2 304.346 3.097 20 5 DGBDLN CC(C)C[C@]1(C)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000452986211 434771131 /nfs/dbraw/zinc/77/11/31/434771131.db2.gz DLPAASHZNOZMNC-INIZCTEOSA-N 0 2 306.362 3.341 20 5 DGBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(C3CCC3)cc2)[nH]1 ZINC000453026911 434778543 /nfs/dbraw/zinc/77/85/43/434778543.db2.gz NWNLKMVNVRMOBF-RMKNXTFCSA-N 0 2 313.313 3.234 20 5 DGBDLN C[C@H](C1CCCCC1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436684000 298266583 /nfs/dbraw/zinc/26/65/83/298266583.db2.gz XCUSXLHNIHOXMS-LLVKDONJSA-N 0 2 306.362 3.341 20 5 DGBDLN C[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000483440600 435519557 /nfs/dbraw/zinc/51/95/57/435519557.db2.gz OSXMZAZTAZRACR-MRVPVSSYSA-N 0 2 322.267 3.321 20 5 DGBDLN C[C@H]1c2ccsc2CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274568212 300715538 /nfs/dbraw/zinc/71/55/38/300715538.db2.gz DEIWHRRGDTXERW-VIFPVBQESA-N 0 2 318.354 3.121 20 5 DGBDLN CCc1cccc2c1N(C(=O)c1ccc(O)c([N+](=O)[O-])c1)CC2 ZINC000543552943 314141284 /nfs/dbraw/zinc/14/12/84/314141284.db2.gz IINZAQPFOQHBKD-UHFFFAOYSA-N 0 2 312.325 3.066 20 5 DGBDLN Cc1cc(CNc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])cc(C)[nH+]1 ZINC000566290703 315331530 /nfs/dbraw/zinc/33/15/30/315331530.db2.gz BPCIPZJADSRXOG-UHFFFAOYSA-N 0 2 315.329 3.225 20 5 DGBDLN CC(C)c1scnc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000584253518 332014184 /nfs/dbraw/zinc/01/41/84/332014184.db2.gz BDFLAFMSZOTJAQ-UHFFFAOYSA-N 0 2 307.331 3.133 20 5 DGBDLN CCCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CCC1 ZINC000465465289 534922036 /nfs/dbraw/zinc/92/20/36/534922036.db2.gz JQVAKJGOEYFHDG-CYBMUJFWSA-N 0 2 306.362 3.389 20 5 DGBDLN CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000158072227 521726842 /nfs/dbraw/zinc/72/68/42/521726842.db2.gz BQCDBLCURAXZPQ-ZYHUDNBSSA-N 0 2 324.402 3.047 20 5 DGBDLN O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCc2ccc(Cl)cc21 ZINC000164864317 534715668 /nfs/dbraw/zinc/71/56/68/534715668.db2.gz UKQSAWZULDXLCW-UHFFFAOYSA-N 0 2 318.716 3.157 20 5 DGBDLN CCOc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1F ZINC000160083186 528549594 /nfs/dbraw/zinc/54/95/94/528549594.db2.gz ZEZZPUDYRQJQSC-UHFFFAOYSA-N 0 2 320.276 3.091 20 5 DGBDLN CCN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCC[C@@H]1C ZINC000181965810 529075759 /nfs/dbraw/zinc/07/57/59/529075759.db2.gz PNCQBNCPPRMUQY-SMDDNHRTSA-N 0 2 306.362 3.341 20 5 DGBDLN O=C([O-])c1ccc(NCCCCc2ccc([N+](=O)[O-])cc2)[nH+]c1 ZINC000738685003 574549510 /nfs/dbraw/zinc/54/95/10/574549510.db2.gz SSPFZAJLDWVYFL-UHFFFAOYSA-N 0 2 315.329 3.123 20 5 DGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000922541997 621054264 /nfs/dbraw/zinc/05/42/64/621054264.db2.gz ZQTZIFJYJFOQMP-ZBEGNZNMSA-N 0 2 324.336 3.375 20 5 DGBDLN Cc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)c1 ZINC000754949239 621542714 /nfs/dbraw/zinc/54/27/14/621542714.db2.gz LHYWBDNYTRDMOV-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN O=C(NC[C@@H]1CCC=CCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000890050909 627498338 /nfs/dbraw/zinc/49/83/38/627498338.db2.gz YURLCUNRISSZGF-GFCCVEGCSA-N 0 2 304.346 3.167 20 5 DGBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(Cc1ccco1)c1cccc(Cl)c1 ZINC000840334040 627854348 /nfs/dbraw/zinc/85/43/48/627854348.db2.gz GISYOVMZPQSIMS-ZIAGYGMSSA-N 0 2 320.732 3.131 20 5 DGBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(Cc2ccc(Cl)c(Cl)c2)no1 ZINC000842489941 630540762 /nfs/dbraw/zinc/54/07/62/630540762.db2.gz XSCGDLFSJOAOCU-GMSGAONNSA-N 0 2 314.128 3.100 20 5 DGBDLN CC[C@@H](C)Oc1ccc(-c2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)cc1 ZINC000842493491 630541357 /nfs/dbraw/zinc/54/13/57/630541357.db2.gz KXOISRYMRCXXCR-OASPWFOLSA-N 0 2 303.318 3.047 20 5 DGBDLN CC(C)(c1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1)c1ccccc1Cl ZINC000842499668 630542460 /nfs/dbraw/zinc/54/24/60/630542460.db2.gz PVWBYHHYMDKFDL-LDYMZIIASA-N 0 2 307.737 3.182 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C(F)(F)Cc1ccccc1 ZINC000793734884 661054804 /nfs/dbraw/zinc/05/48/04/661054804.db2.gz DGAISDXDGWFWLG-UHFFFAOYSA-N 0 2 322.267 3.117 20 5 DGBDLN CCS[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001445433151 1182146300 /nfs/dbraw/zinc/14/63/00/1182146300.db2.gz VWJSQHLNUOVYNR-GXTWGEPZSA-N 0 2 324.402 3.095 20 5 DGBDLN C/C(=C/C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1cccs1 ZINC001447257687 1182185166 /nfs/dbraw/zinc/18/51/66/1182185166.db2.gz BWXYIADOAJDSPZ-CLFYSBASSA-N 0 2 304.327 3.404 20 5 DGBDLN CNc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(Cl)c1 ZINC001447269103 1182185676 /nfs/dbraw/zinc/18/56/76/1182185676.db2.gz RSKRXZFBHWMVKA-UHFFFAOYSA-N 0 2 321.720 3.248 20 5 DGBDLN C[C@H]1CCc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC001540435110 1188239343 /nfs/dbraw/zinc/23/93/43/1188239343.db2.gz DDJXTJXFSQNERF-NSHDSACASA-N 0 2 312.325 3.282 20 5 DGBDLN Cc1sc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nc1C1CCCCC1 ZINC001543820129 1188365421 /nfs/dbraw/zinc/36/54/21/1188365421.db2.gz YVFHMWFJRZWBCP-GHMZBOCLSA-N 0 2 309.391 3.103 20 5 DGBDLN C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001545245068 1188426444 /nfs/dbraw/zinc/42/64/44/1188426444.db2.gz JHCNEDJBTFJOJD-GWCFXTLKSA-N 0 2 306.362 3.245 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1C[C@@]1(F)c1ccccc1 ZINC001567229933 1190082322 /nfs/dbraw/zinc/08/23/22/1190082322.db2.gz OAPSNESFVRDOBJ-BLLLJJGKSA-N 0 2 316.288 3.124 20 5 DGBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C1CCCCCC1 ZINC001567420639 1190180964 /nfs/dbraw/zinc/18/09/64/1190180964.db2.gz YSIKNXJBMKOUBG-NSHDSACASA-N 0 2 306.362 3.389 20 5 DGBDLN CC1(C)CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC001630021414 1194265362 /nfs/dbraw/zinc/26/53/62/1194265362.db2.gz DNJJWPQKJLXUCL-NSHDSACASA-N 0 2 306.362 3.247 20 5 DGBDLN C[C@@H]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)[C@H]1C ZINC001634331146 1194487797 /nfs/dbraw/zinc/48/77/97/1194487797.db2.gz YQPBCHHAJYERLA-GRYCIOLGSA-N 0 2 306.362 3.103 20 5 DGBDLN CC(C)Oc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC001637193771 1194656768 /nfs/dbraw/zinc/65/67/68/1194656768.db2.gz QEIRHBRXVQQRMT-UHFFFAOYSA-N 0 2 316.313 3.340 20 5 DGBDLN Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(F)c1F ZINC001637881909 1194692268 /nfs/dbraw/zinc/69/22/68/1194692268.db2.gz XVGHXPYZFKRQCS-UHFFFAOYSA-N 0 2 308.240 3.139 20 5 DGBDLN C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1O)CC(C)(C)C ZINC001638642135 1194730147 /nfs/dbraw/zinc/73/01/47/1194730147.db2.gz AUVLIESDRRSLBI-NSHDSACASA-N 0 2 308.378 3.493 20 5 DGBDLN C[N@H+](Cc1ccccc1F)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598530130 992769083 /nfs/dbraw/zinc/76/90/83/992769083.db2.gz MEDNWICFAGIEMN-UHFFFAOYSA-N 0 2 318.304 3.064 20 5 DGBDLN C[N@@H+](Cc1ccccc1F)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598530130 992769090 /nfs/dbraw/zinc/76/90/90/992769090.db2.gz MEDNWICFAGIEMN-UHFFFAOYSA-N 0 2 318.304 3.064 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H](C2CCCC2)C1 ZINC001181064781 1083395942 /nfs/dbraw/zinc/39/59/42/1083395942.db2.gz YBKGIYSPDALQKT-ZDUSSCGKSA-N 0 2 318.373 3.343 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCCC[C@@H]1C1CC1 ZINC001153455040 1088253363 /nfs/dbraw/zinc/25/33/63/1088253363.db2.gz HRATWPOWXGKYHW-OLZOCXBDSA-N 0 2 304.346 3.455 20 5 DGBDLN CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001142064765 1092401372 /nfs/dbraw/zinc/40/13/72/1092401372.db2.gz AFZUCKZSSOLOAZ-CHWSQXEVSA-N 0 2 306.362 3.245 20 5 DGBDLN O=[N+]([O-])c1cc(Nc2nc3c(cccc3O)s2)ccc1O ZINC001210392091 1093152442 /nfs/dbraw/zinc/15/24/42/1093152442.db2.gz AUKKSCZGYWGIPG-UHFFFAOYSA-N 0 2 303.299 3.359 20 5 DGBDLN Cc1ccc(F)cc1-c1noc(-c2cc(O)ccc2[N+](=O)[O-])n1 ZINC001216678439 1094247641 /nfs/dbraw/zinc/24/76/41/1094247641.db2.gz DSYDRFUZIGWYHE-UHFFFAOYSA-N 0 2 315.260 3.465 20 5 DGBDLN O=[N+]([O-])c1ccc(O)cc1-c1nc(-c2ccccc2F)no1 ZINC001216678918 1094247821 /nfs/dbraw/zinc/24/78/21/1094247821.db2.gz YBLRYKJAQFCRNF-UHFFFAOYSA-N 0 2 301.233 3.157 20 5 DGBDLN Cc1cc(C)c(-c2noc(-c3cc(O)ccc3[N+](=O)[O-])n2)cn1 ZINC001216682224 1094249475 /nfs/dbraw/zinc/24/94/75/1094249475.db2.gz IUSMOBNVTFXFSM-UHFFFAOYSA-N 0 2 312.285 3.029 20 5 DGBDLN CC(C)Oc1cc(COc2cccc(O)c2[N+](=O)[O-])c(F)cn1 ZINC001225625679 1096487800 /nfs/dbraw/zinc/48/78/00/1096487800.db2.gz LTJPPJGAZUCLPT-UHFFFAOYSA-N 0 2 322.292 3.201 20 5 DGBDLN C[C@@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])c1cccnc1Cl ZINC001228970214 1097228893 /nfs/dbraw/zinc/22/88/93/1097228893.db2.gz HMQAWHHXJVSORE-SSDOTTSWSA-N 0 2 310.693 3.194 20 5 DGBDLN COc1ccc(-c2nnc(-c3c(O)cccc3[N+](=O)[O-])o2)cc1 ZINC001252029959 1105728570 /nfs/dbraw/zinc/72/85/70/1105728570.db2.gz ZVYOINGUYPYWJG-UHFFFAOYSA-N 0 2 313.269 3.026 20 5 DGBDLN COc1cccc(-c2nnc(-c3ccc([N+](=O)[O-])cc3O)o2)c1 ZINC001253350318 1105925668 /nfs/dbraw/zinc/92/56/68/1105925668.db2.gz NTSLCKZFIBMLQT-UHFFFAOYSA-N 0 2 313.269 3.026 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc2cccnc21 ZINC000322774832 231212763 /nfs/dbraw/zinc/21/27/63/231212763.db2.gz GVQUZPFIAMDZFH-UHFFFAOYSA-N 0 2 309.281 3.101 20 5 DGBDLN O=C(CCc1ccc(F)cc1F)Nc1cc([N+](=O)[O-])ccc1O ZINC000092547515 185325072 /nfs/dbraw/zinc/32/50/72/185325072.db2.gz ZTCFWOFHKPCKMO-UHFFFAOYSA-N 0 2 322.267 3.150 20 5 DGBDLN Cc1noc(C)c1[C@@H](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546128 185325274 /nfs/dbraw/zinc/32/52/74/185325274.db2.gz YJSQGLOFRTZSLX-QMMMGPOBSA-N 0 2 319.317 3.038 20 5 DGBDLN CCC1(CC)CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000188592346 282354647 /nfs/dbraw/zinc/35/46/47/282354647.db2.gz VCYMHNDHXSBUFR-UHFFFAOYSA-N 0 2 306.362 3.343 20 5 DGBDLN Cc1cc(C)c(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)s1 ZINC001624546804 1194002630 /nfs/dbraw/zinc/00/26/30/1194002630.db2.gz JZYKROJPZWQQML-UHFFFAOYSA-N 0 2 306.343 3.160 20 5 DGBDLN CN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]1CCc2ccccc21 ZINC000179409156 432057319 /nfs/dbraw/zinc/05/73/19/432057319.db2.gz LSWLTZZFIPWWSA-HNNXBMFYSA-N 0 2 312.325 3.060 20 5 DGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N(Cc1cccs1)C1CC1 ZINC000179416070 199031951 /nfs/dbraw/zinc/03/19/51/199031951.db2.gz XGQLZLAFPMBEEP-UHFFFAOYSA-N 0 2 318.354 3.167 20 5 DGBDLN Cc1ccc(F)c(CN(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000444436685 239287554 /nfs/dbraw/zinc/28/75/54/239287554.db2.gz DQAUJHAFMOTQMC-UHFFFAOYSA-N 0 2 318.304 3.020 20 5 DGBDLN O=[N+]([O-])c1ccc(-c2nc(Cc3ccccc3F)no2)cc1O ZINC000445210616 239393225 /nfs/dbraw/zinc/39/32/25/239393225.db2.gz JBDKKROOKGJPNC-UHFFFAOYSA-N 0 2 315.260 3.080 20 5 DGBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H](C)c1ccccc1 ZINC000080102324 283893845 /nfs/dbraw/zinc/89/38/45/283893845.db2.gz AUSUWMZMQXBIMM-VXGBXAGGSA-N 0 2 314.341 3.222 20 5 DGBDLN O=C(Nc1cccc2ccc(O)cc21)c1ccc(O)c([N+](=O)[O-])c1 ZINC000119307617 284140211 /nfs/dbraw/zinc/14/02/11/284140211.db2.gz HUXQAELJLLXEIF-UHFFFAOYSA-N 0 2 324.292 3.412 20 5 DGBDLN CCC(=O)c1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000356796338 285492729 /nfs/dbraw/zinc/49/27/29/285492729.db2.gz FXAMHCJYZXRPJF-UHFFFAOYSA-N 0 2 314.297 3.145 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cncc2ccccc21 ZINC000092545893 400179805 /nfs/dbraw/zinc/17/98/05/400179805.db2.gz LNHAYHBLEIVKJE-UHFFFAOYSA-N 0 2 309.281 3.101 20 5 DGBDLN CC(C)[C@@H]1CCC2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 ZINC000601933752 400379275 /nfs/dbraw/zinc/37/92/75/400379275.db2.gz HCQAUWGYMBGYDP-BXUZGUMPSA-N 0 2 301.346 3.370 20 5 DGBDLN Cc1cccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000158531033 400725811 /nfs/dbraw/zinc/72/58/11/400725811.db2.gz QNUBRWJFOSQDEI-UHFFFAOYSA-N 0 2 306.343 3.012 20 5 DGBDLN Cc1ccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c(C)c1 ZINC000158532909 400725817 /nfs/dbraw/zinc/72/58/17/400725817.db2.gz HHRXCYQEAAEZOX-UHFFFAOYSA-N 0 2 320.370 3.321 20 5 DGBDLN Cc1ccnc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1C1CC1 ZINC000598763017 400873544 /nfs/dbraw/zinc/87/35/44/400873544.db2.gz IAYHVLWKULVATD-UHFFFAOYSA-N 0 2 313.313 3.134 20 5 DGBDLN O=C(Nc1ccc(Cl)c(F)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000183421364 228373830 /nfs/dbraw/zinc/37/38/30/228373830.db2.gz XLDOKJCRDFMBRR-UHFFFAOYSA-N 0 2 310.668 3.345 20 5 DGBDLN Cc1cccc(C)c1[C@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354790377 265872030 /nfs/dbraw/zinc/87/20/30/265872030.db2.gz KVJSFFYIQTYZHY-LBPRGKRZSA-N 0 2 314.341 3.408 20 5 DGBDLN CC(C)(C)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000331221145 278543194 /nfs/dbraw/zinc/54/31/94/278543194.db2.gz APXACFGFBNRZOZ-NSHDSACASA-N 0 2 306.362 3.199 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCCC2(CCCCC2)C1 ZINC000111660194 431230735 /nfs/dbraw/zinc/23/07/35/431230735.db2.gz JBUVJRSITDQGOU-UHFFFAOYSA-N 0 2 318.373 3.487 20 5 DGBDLN CC(C)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000159385055 280375973 /nfs/dbraw/zinc/37/59/73/280375973.db2.gz NETQORVCDRGXCQ-LBPRGKRZSA-N 0 2 306.362 3.199 20 5 DGBDLN Cc1cc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c(C)s1 ZINC000029849543 431729194 /nfs/dbraw/zinc/72/91/94/431729194.db2.gz PKFYZTULCVHWQR-VIFPVBQESA-N 0 2 320.370 3.470 20 5 DGBDLN CC[C@H](C)c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)on1 ZINC000089530887 431869498 /nfs/dbraw/zinc/86/94/98/431869498.db2.gz XRRFVKHJMLSTKX-QMMMGPOBSA-N 0 2 305.290 3.054 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1(c2ccccc2)CCC1 ZINC000089530823 431869651 /nfs/dbraw/zinc/86/96/51/431869651.db2.gz OCFAGQQQPHGUGI-UHFFFAOYSA-N 0 2 312.325 3.361 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000089531252 431869973 /nfs/dbraw/zinc/86/99/73/431869973.db2.gz DPDNPKNDCAICFL-STQMWFEESA-N 0 2 316.288 3.182 20 5 DGBDLN O=C(Nc1cccc2ccc(O)cc21)c1ccc([N+](=O)[O-])c(O)c1 ZINC000184043101 432348495 /nfs/dbraw/zinc/34/84/95/432348495.db2.gz WJMMRZXHXLOYPR-UHFFFAOYSA-N 0 2 324.292 3.412 20 5 DGBDLN CC[C@H](C)[C@@H](C)N(C(=O)c1ccc([N+](=O)[O-])cc1O)C1CC1 ZINC000184754740 432428744 /nfs/dbraw/zinc/42/87/44/432428744.db2.gz HRKMQAMDIHELTN-WDEREUQCSA-N 0 2 306.362 3.340 20 5 DGBDLN CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CCCC[C@@H]1C ZINC000184952137 432448688 /nfs/dbraw/zinc/44/86/88/432448688.db2.gz MXMZMXWTYBLFKY-FZMZJTMJSA-N 0 2 306.362 3.341 20 5 DGBDLN C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184614258 432413370 /nfs/dbraw/zinc/41/33/70/432413370.db2.gz YAFHRLABBPDCFU-JTQLQIEISA-N 0 2 318.304 3.273 20 5 DGBDLN CC[C@H](C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C(F)(F)F ZINC000277549008 432859715 /nfs/dbraw/zinc/85/97/15/432859715.db2.gz BVSQMVHHKPZKOW-WRWORJQWSA-N 0 2 320.267 3.007 20 5 DGBDLN CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@H]1C(C)C ZINC000456294263 433576550 /nfs/dbraw/zinc/57/65/50/433576550.db2.gz PWQYKBVNJPPRCX-WFASDCNBSA-N 0 2 306.362 3.053 20 5 DGBDLN Cc1csc(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2O)n1 ZINC000283242168 433697074 /nfs/dbraw/zinc/69/70/74/433697074.db2.gz CBGKLSRVUBWGNA-UHFFFAOYSA-N 0 2 321.358 3.027 20 5 DGBDLN CC(C)Cc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1 ZINC000352015299 433860586 /nfs/dbraw/zinc/86/05/86/433860586.db2.gz XFYOTMVIIKHLTF-FPLPWBNLSA-N 0 2 315.329 3.165 20 5 DGBDLN CC[C@H](C)n1ncc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1C ZINC000436598517 434031481 /nfs/dbraw/zinc/03/14/81/434031481.db2.gz ZSJRZIYDXOYEBJ-VIFPVBQESA-N 0 2 318.333 3.029 20 5 DGBDLN CCOc1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)ccc1C ZINC000436724995 434087450 /nfs/dbraw/zinc/08/74/50/434087450.db2.gz UHAOZBCEGIVCDO-UHFFFAOYSA-N 0 2 316.313 3.260 20 5 DGBDLN CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC(C)(C)C1 ZINC000436809467 434118276 /nfs/dbraw/zinc/11/82/76/434118276.db2.gz SXGFXDNKJJOELN-UHFFFAOYSA-N 0 2 306.362 3.199 20 5 DGBDLN CC(C)[C@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000508529440 294324550 /nfs/dbraw/zinc/32/45/50/294324550.db2.gz AWZYWUPVADPCKM-AAEUAGOBSA-N 0 2 306.362 3.245 20 5 DGBDLN CCS[C@@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000436867318 434144355 /nfs/dbraw/zinc/14/43/55/434144355.db2.gz CRJDQYKFAWYVBW-ZYHUDNBSSA-N 0 2 324.402 3.095 20 5 DGBDLN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1cccc(F)c1F ZINC000436955008 434182675 /nfs/dbraw/zinc/18/26/75/434182675.db2.gz BWYJJKQDESZQIR-MRVPVSSYSA-N 0 2 322.267 3.070 20 5 DGBDLN CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436974135 434186533 /nfs/dbraw/zinc/18/65/33/434186533.db2.gz WMWDDKZZJSNKRR-RISCZKNCSA-N 0 2 306.362 3.341 20 5 DGBDLN CC(C)(C)c1cnc(NC(=O)c2ccc([N+](=O)[O-])cc2O)s1 ZINC000436979720 434193199 /nfs/dbraw/zinc/19/31/99/434193199.db2.gz LGYAZTTZUOSVGW-UHFFFAOYSA-N 0 2 321.358 3.307 20 5 DGBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1c(F)cccc1F ZINC000353832403 434468855 /nfs/dbraw/zinc/46/88/55/434468855.db2.gz ZYBSVVPOBKKETL-MRVPVSSYSA-N 0 2 322.267 3.070 20 5 DGBDLN C[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000483440602 435519964 /nfs/dbraw/zinc/51/99/64/435519964.db2.gz OSXMZAZTAZRACR-QMMMGPOBSA-N 0 2 322.267 3.321 20 5 DGBDLN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H]2CCCC[C@@H]12 ZINC000547859804 435655146 /nfs/dbraw/zinc/65/51/46/435655146.db2.gz QKSVUSXMFRVINE-OSAQELSMSA-N 0 2 318.373 3.341 20 5 DGBDLN Cc1cc2cccnc2c(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000091793122 301460456 /nfs/dbraw/zinc/46/04/56/301460456.db2.gz ZHGJHIGIAQMZJN-UHFFFAOYSA-N 0 2 323.308 3.409 20 5 DGBDLN O=C(Nc1cccc2ccncc21)c1ccc([N+](=O)[O-])cc1O ZINC000547800845 314397102 /nfs/dbraw/zinc/39/71/02/314397102.db2.gz TXZOQVKUAVEDDJ-UHFFFAOYSA-N 0 2 309.281 3.101 20 5 DGBDLN Cc1ccsc1-c1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000562123513 314997765 /nfs/dbraw/zinc/99/77/65/314997765.db2.gz XTMAMHLOYNGORI-UHFFFAOYSA-N 0 2 303.299 3.387 20 5 DGBDLN Cc1ccc[nH+]c1CCCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000563208076 315090541 /nfs/dbraw/zinc/09/05/41/315090541.db2.gz ZYMKRRHHJVOEDG-UHFFFAOYSA-N 0 2 315.329 3.041 20 5 DGBDLN CC(=O)c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)ccc1C ZINC000194416678 323475572 /nfs/dbraw/zinc/47/55/72/323475572.db2.gz MMQGJJGBLAXZDA-UHFFFAOYSA-N 0 2 314.297 3.064 20 5 DGBDLN C[C@@H](c1ccccc1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179398865 534102187 /nfs/dbraw/zinc/10/21/87/534102187.db2.gz PJHFOCDJVROUFW-NSHDSACASA-N 0 2 300.314 3.134 20 5 DGBDLN O=C(Nc1cccc(-n2cccc2)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000184967203 534320241 /nfs/dbraw/zinc/32/02/41/534320241.db2.gz XFTXDBJGOMNMKH-UHFFFAOYSA-N 0 2 323.308 3.343 20 5 DGBDLN CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182059831 527874780 /nfs/dbraw/zinc/87/47/80/527874780.db2.gz LNCHDSTURKWCTB-SMDDNHRTSA-N 0 2 306.362 3.341 20 5 DGBDLN CCCN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179406605 528145090 /nfs/dbraw/zinc/14/50/90/528145090.db2.gz JUIPXNVXPCFXIV-UHFFFAOYSA-N 0 2 314.341 3.353 20 5 DGBDLN CCc1cccc(C)c1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000185423064 529159626 /nfs/dbraw/zinc/15/96/26/529159626.db2.gz VMSNEZFNKRRMBU-UHFFFAOYSA-N 0 2 300.314 3.424 20 5 DGBDLN C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736716471 574803863 /nfs/dbraw/zinc/80/38/63/574803863.db2.gz HQCAJIIVDREMRS-LLVKDONJSA-N 0 2 312.325 3.370 20 5 DGBDLN C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736716471 574803864 /nfs/dbraw/zinc/80/38/64/574803864.db2.gz HQCAJIIVDREMRS-LLVKDONJSA-N 0 2 312.325 3.370 20 5 DGBDLN O=[N+]([O-])c1c(Nc2ccn(-c3ccccc3)n2)nc2ccccn21 ZINC000727757378 576143897 /nfs/dbraw/zinc/14/38/97/576143897.db2.gz DQCGZCDAYVGFTF-UHFFFAOYSA-N 0 2 320.312 3.172 20 5 DGBDLN Cc1sc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nc1-c1ccc(C)cc1 ZINC000839476501 621379218 /nfs/dbraw/zinc/37/92/18/621379218.db2.gz FYGDIVXZQJUYOG-VXGBXAGGSA-N 0 2 317.370 3.031 20 5 DGBDLN COc1cc(Cl)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000775361353 623259374 /nfs/dbraw/zinc/25/93/74/623259374.db2.gz DHUPREMXRAYQFG-UHFFFAOYSA-N 0 2 322.704 3.215 20 5 DGBDLN CC(C)(C(=O)NOC1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000779320256 623759394 /nfs/dbraw/zinc/75/93/94/623759394.db2.gz HVTNMTNIZWLGMA-UHFFFAOYSA-N 0 2 324.352 3.392 20 5 DGBDLN CC1(C)CC[C@@H](c2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)c2ccccc21 ZINC000817092441 627853319 /nfs/dbraw/zinc/85/33/19/627853319.db2.gz GOOJFFVKHDBWLS-YRGRVCCFSA-N 0 2 313.357 3.406 20 5 DGBDLN C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000827948354 629007014 /nfs/dbraw/zinc/00/70/14/629007014.db2.gz DDRCERBERXYKDQ-LLVKDONJSA-N 0 2 312.325 3.370 20 5 DGBDLN C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000827948354 629007018 /nfs/dbraw/zinc/00/70/18/629007018.db2.gz DDRCERBERXYKDQ-LLVKDONJSA-N 0 2 312.325 3.370 20 5 DGBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(-c2cc(F)ccc2C(F)(F)F)no1 ZINC000842488456 630540824 /nfs/dbraw/zinc/54/08/24/630540824.db2.gz QUDKOMIPBWXXNF-VXNVDRBHSA-N 0 2 317.198 3.027 20 5 DGBDLN CC(C)(Cc1ccc(Cl)cc1)c1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC000842507461 630543885 /nfs/dbraw/zinc/54/38/85/630543885.db2.gz UNPHVXUXQNXLPH-VXGBXAGGSA-N 0 2 321.764 3.376 20 5 DGBDLN Cc1ccc(CNC(=O)c2cccc(Cl)c2O)cc1[N+](=O)[O-] ZINC001438573648 1181973716 /nfs/dbraw/zinc/97/37/16/1181973716.db2.gz FWZREZUSGCFPEY-UHFFFAOYSA-N 0 2 320.732 3.192 20 5 DGBDLN Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(N)c1Cl ZINC001447260869 1182185453 /nfs/dbraw/zinc/18/54/53/1182185453.db2.gz GFBLJGNOYARHJE-UHFFFAOYSA-N 0 2 321.720 3.097 20 5 DGBDLN C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC001556386356 1188997791 /nfs/dbraw/zinc/99/77/91/1188997791.db2.gz SSDNJMMXTAAKHK-LBPRGKRZSA-N 0 2 314.341 3.224 20 5 DGBDLN CCCC[C@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001565558377 1189655526 /nfs/dbraw/zinc/65/55/26/1189655526.db2.gz XZJYGJVLIQLFSA-FZMZJTMJSA-N 0 2 306.362 3.389 20 5 DGBDLN CCCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C1CCC1 ZINC001566414871 1189769876 /nfs/dbraw/zinc/76/98/76/1189769876.db2.gz OPLMRRFDWSYSJH-AWEZNQCLSA-N 0 2 306.362 3.389 20 5 DGBDLN C[C@H](c1ccccc1)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001629230055 1194221532 /nfs/dbraw/zinc/22/15/32/1194221532.db2.gz BOEJCSWSOUMFAQ-RYUDHWBXSA-N 0 2 314.341 3.222 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H](C2CCC2)CC1 ZINC001632861764 1194409588 /nfs/dbraw/zinc/40/95/88/1194409588.db2.gz IFWITBOWTMZCRD-ZDUSSCGKSA-N 0 2 318.373 3.343 20 5 DGBDLN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(F)c(F)c1O ZINC001642233411 1194895319 /nfs/dbraw/zinc/89/53/19/1194895319.db2.gz HPOFRXDIZRBPKK-UHFFFAOYSA-N 0 2 308.240 3.139 20 5 DGBDLN Cc1ccc2cnccc2c1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001654081107 1195773133 /nfs/dbraw/zinc/77/31/33/1195773133.db2.gz YCOBRWLUMDFDCZ-UHFFFAOYSA-N 0 2 323.308 3.409 20 5 DGBDLN C[C@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)C[C@@H]1c1ccccc1 ZINC001153454629 1088253879 /nfs/dbraw/zinc/25/38/79/1088253879.db2.gz CYHRAZVPASKPOR-DYVFJYSZSA-N 0 2 312.325 3.433 20 5 DGBDLN CNc1ccc(Cl)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC001153455519 1088254062 /nfs/dbraw/zinc/25/40/62/1088254062.db2.gz MHJNZJZATUEZPL-UHFFFAOYSA-N 0 2 321.720 3.248 20 5 DGBDLN Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c2c1CCC2 ZINC001295971243 1091672337 /nfs/dbraw/zinc/67/23/37/1091672337.db2.gz XPMRSDREAXPHGD-UHFFFAOYSA-N 0 2 312.325 3.350 20 5 DGBDLN CC(C)(C)[C@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001142064767 1092402239 /nfs/dbraw/zinc/40/22/39/1092402239.db2.gz AFZUCKZSSOLOAZ-QWHCGFSZSA-N 0 2 306.362 3.245 20 5 DGBDLN O=[N+]([O-])c1ccc(O)cc1-c1nc(-c2ccc(F)c(F)c2)no1 ZINC001216678464 1094247554 /nfs/dbraw/zinc/24/75/54/1094247554.db2.gz FTKCXOJNOIZZTJ-UHFFFAOYSA-N 0 2 319.223 3.296 20 5 DGBDLN O=[N+]([O-])c1ccc(O)cc1-c1nc(-c2ccc(F)cc2)no1 ZINC001216678435 1094247739 /nfs/dbraw/zinc/24/77/39/1094247739.db2.gz DLVOVLGFFVGOHT-UHFFFAOYSA-N 0 2 301.233 3.157 20 5 DGBDLN O=[N+]([O-])c1ccc(O)cc1-c1nc(-c2cc(F)cc(F)c2)no1 ZINC001216678671 1094247802 /nfs/dbraw/zinc/24/78/02/1094247802.db2.gz QBXLPCNDONTBJG-UHFFFAOYSA-N 0 2 319.223 3.296 20 5 DGBDLN Cc1ccc(-c2nc(-c3cnccc3C)no2)c([N+](=O)[O-])c1O ZINC001216856562 1094270645 /nfs/dbraw/zinc/27/06/45/1094270645.db2.gz BWFUBPMPBWQENJ-UHFFFAOYSA-N 0 2 312.285 3.029 20 5 DGBDLN C[C@H](COc1cccc(O)c1[N+](=O)[O-])OCc1ccccc1 ZINC001225619633 1096484816 /nfs/dbraw/zinc/48/48/16/1096484816.db2.gz FYCBRRKJUFUMLL-GFCCVEGCSA-N 0 2 303.314 3.285 20 5 DGBDLN COc1cccc(OC[C@H](C)Oc2cccc(O)c2[N+](=O)[O-])c1 ZINC001225621040 1096486262 /nfs/dbraw/zinc/48/62/62/1096486262.db2.gz ZTDKXFTZBJHBAU-NSHDSACASA-N 0 2 319.313 3.155 20 5 DGBDLN Cc1cccc(OC[C@@H](C)Oc2cccc(O)c2[N+](=O)[O-])c1 ZINC001225620402 1096486393 /nfs/dbraw/zinc/48/63/93/1096486393.db2.gz QJOJAUMIIQKESN-GFCCVEGCSA-N 0 2 303.314 3.455 20 5 DGBDLN CC(C)C[C@H](Oc1cccc(O)c1[N+](=O)[O-])C(=O)OC(C)C ZINC001225623802 1096487556 /nfs/dbraw/zinc/48/75/56/1096487556.db2.gz SUXQPVIAGSYIOH-ZDUSSCGKSA-N 0 2 311.334 3.046 20 5 DGBDLN CC[N@H+](C)c1ccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC001176679568 1098405077 /nfs/dbraw/zinc/40/50/77/1098405077.db2.gz MUZXNWUVWNHSCO-UHFFFAOYSA-N 0 2 315.329 3.493 20 5 DGBDLN CC[N@@H+](C)c1ccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC001176679568 1098405081 /nfs/dbraw/zinc/40/50/81/1098405081.db2.gz MUZXNWUVWNHSCO-UHFFFAOYSA-N 0 2 315.329 3.493 20 5 DGBDLN Cc1ccc(-c2nnc(-c3ccc([N+](=O)[O-])cc3O)o2)cc1F ZINC001258784888 1106975658 /nfs/dbraw/zinc/97/56/58/1106975658.db2.gz GKNDIXFGWMQFQN-UHFFFAOYSA-N 0 2 315.260 3.465 20 5 DGBDLN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546689 185325225 /nfs/dbraw/zinc/32/52/25/185325225.db2.gz LGRXCXGQAKNKSY-MNOVXSKESA-N 0 2 318.354 3.413 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H]1C1CCCCC1 ZINC000080375757 192152992 /nfs/dbraw/zinc/15/29/92/192152992.db2.gz GFBXJIJVIYCCRP-AWEZNQCLSA-N 0 2 318.373 3.485 20 5 DGBDLN O=C(Nc1cccc2cnccc21)c1ccc([N+](=O)[O-])cc1O ZINC000161692047 304007714 /nfs/dbraw/zinc/00/77/14/304007714.db2.gz XMORWRBQVUHEKV-UHFFFAOYSA-N 0 2 309.281 3.101 20 5 DGBDLN C[C@H](Sc1ccccc1)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166178057 432058628 /nfs/dbraw/zinc/05/86/28/432058628.db2.gz FKPRIBAAFPTTKL-JTQLQIEISA-N 0 2 318.354 3.420 20 5 DGBDLN CCO[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000180777041 432100175 /nfs/dbraw/zinc/10/01/75/432100175.db2.gz CTSNSKVUEXVQMN-HNNXBMFYSA-N 0 2 316.313 3.017 20 5 DGBDLN Cc1cccc(N(C)Cc2ccc([S@@](C)=O)cc2)c1[N+](=O)[O-] ZINC000275385109 212302635 /nfs/dbraw/zinc/30/26/35/212302635.db2.gz BVJKHHPEHBBNKL-JOCHJYFZSA-N 0 2 318.398 3.277 20 5 DGBDLN CCC[C@H]1[C@@H](C)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182059851 283991647 /nfs/dbraw/zinc/99/16/47/283991647.db2.gz LNCHDSTURKWCTB-FZMZJTMJSA-N 0 2 306.362 3.341 20 5 DGBDLN CC[C@@H](OC1CCCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092547043 284007289 /nfs/dbraw/zinc/00/72/89/284007289.db2.gz XBLZLRABARKJCZ-OAHLLOKOSA-N 0 2 322.361 3.367 20 5 DGBDLN CCC[C@]1(C)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000179527946 284053847 /nfs/dbraw/zinc/05/38/47/284053847.db2.gz PHOPGKQILNTKIM-MRXNPFEDSA-N 0 2 306.362 3.343 20 5 DGBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(F)c(Cl)c1 ZINC000118967918 284130689 /nfs/dbraw/zinc/13/06/89/284130689.db2.gz FEXQCSUOHAPTHJ-UHFFFAOYSA-N 0 2 324.695 3.370 20 5 DGBDLN CCOCc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000119104644 284134695 /nfs/dbraw/zinc/13/46/95/284134695.db2.gz OXDCVYWEBBWTLA-UHFFFAOYSA-N 0 2 316.313 3.089 20 5 DGBDLN CCCOc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000119676835 284148246 /nfs/dbraw/zinc/14/82/46/284148246.db2.gz NZJRGMILOIMLKI-UHFFFAOYSA-N 0 2 316.313 3.342 20 5 DGBDLN CCN(Cc1ccccc1C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000126016973 284290659 /nfs/dbraw/zinc/29/06/59/284290659.db2.gz XBVZNSPQNOMQFE-UHFFFAOYSA-N 0 2 314.341 3.271 20 5 DGBDLN Cc1ccc(F)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000135680752 284486684 /nfs/dbraw/zinc/48/66/84/284486684.db2.gz JZQSJXPAHGRJQQ-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN CCC(CC)(CNC(=O)c1ccc(F)cc1[N+](=O)[O-])SC ZINC000268113335 206465419 /nfs/dbraw/zinc/46/54/19/206465419.db2.gz JLVLEXVAXKEZNB-UHFFFAOYSA-N 0 2 314.382 3.386 20 5 DGBDLN CC(C)C1(C)CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000190333282 432144977 /nfs/dbraw/zinc/14/49/77/432144977.db2.gz YPSPHIVLFYBJDO-UHFFFAOYSA-N 0 2 306.362 3.199 20 5 DGBDLN CC(C)(C(=O)NOC1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000273879885 211138257 /nfs/dbraw/zinc/13/82/57/211138257.db2.gz SHIQPCLROWHANU-UHFFFAOYSA-N 0 2 310.325 3.002 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc2ccccc2n1 ZINC000120866463 195253381 /nfs/dbraw/zinc/25/33/81/195253381.db2.gz BVQJHJAKXMHYIS-UHFFFAOYSA-N 0 2 309.281 3.101 20 5 DGBDLN C[C@@H](CCCC(F)(F)F)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000427974468 533529631 /nfs/dbraw/zinc/52/96/31/533529631.db2.gz RFNZSAXGVSADJE-QMMMGPOBSA-N 0 2 320.267 3.151 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCCc2sccc21 ZINC000092546115 400181390 /nfs/dbraw/zinc/18/13/90/400181390.db2.gz MJQCXIXMHUZMBQ-NSHDSACASA-N 0 2 318.354 3.421 20 5 DGBDLN CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000357911080 285916267 /nfs/dbraw/zinc/91/62/67/285916267.db2.gz MVFMKIZQSIZDCX-YPMHNXCESA-N 0 2 306.362 3.341 20 5 DGBDLN CCCCCc1nnc(NC(=O)c2ccc([N+](=O)[O-])o2)s1 ZINC000044568377 400495959 /nfs/dbraw/zinc/49/59/59/400495959.db2.gz ZAOPZIGCZHZUCM-UHFFFAOYSA-N 0 2 310.335 3.024 20 5 DGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCCC2(CCCC2)CC1 ZINC000597957171 400703904 /nfs/dbraw/zinc/70/39/04/400703904.db2.gz VPBYMLMLZZOPRT-UHFFFAOYSA-N 0 2 318.373 3.487 20 5 DGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCCC[C@H]1CC1CCC1 ZINC000598458903 400815927 /nfs/dbraw/zinc/81/59/27/400815927.db2.gz AZHROMDYCDDFGT-ZDUSSCGKSA-N 0 2 318.373 3.485 20 5 DGBDLN Cc1ccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c(C)c1 ZINC000055547109 400876886 /nfs/dbraw/zinc/87/68/86/400876886.db2.gz BQBBDAYHPVHBGS-UHFFFAOYSA-N 0 2 320.370 3.321 20 5 DGBDLN Cc1cccc(C)c1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000055558827 400877665 /nfs/dbraw/zinc/87/76/65/400877665.db2.gz NOCSFGGXZJRCMV-UHFFFAOYSA-N 0 2 320.370 3.321 20 5 DGBDLN Cc1cccc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1 ZINC000060436691 401118118 /nfs/dbraw/zinc/11/81/18/401118118.db2.gz HQCOVIVYTSWXJF-UHFFFAOYSA-N 0 2 320.370 3.321 20 5 DGBDLN O=C(Nc1cccc(OC(F)F)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000160041178 228244652 /nfs/dbraw/zinc/24/46/52/228244652.db2.gz MKORXWZMXQQIPE-UHFFFAOYSA-N 0 2 324.239 3.154 20 5 DGBDLN Cc1ccc(Cc2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)s1 ZINC000347493754 264229395 /nfs/dbraw/zinc/22/93/95/264229395.db2.gz REALAYODCORUKP-UHFFFAOYSA-N 0 2 317.326 3.311 20 5 DGBDLN CCSc1cccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c1 ZINC000352012994 264896614 /nfs/dbraw/zinc/89/66/14/264896614.db2.gz FRCRVBCRMUYHHK-VOTSOKGWSA-N 0 2 319.342 3.078 20 5 DGBDLN CC(C)[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)c1ccncc1 ZINC000355886060 266219494 /nfs/dbraw/zinc/21/94/94/266219494.db2.gz VUMVTVODCCFWSD-OAHLLOKOSA-N 0 2 315.329 3.074 20 5 DGBDLN O=c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1-c1ccccc1Cl ZINC000000211857 431148160 /nfs/dbraw/zinc/14/81/60/431148160.db2.gz DAICMRSABNDXEV-UHFFFAOYSA-N 0 2 315.716 3.389 20 5 DGBDLN O=C(Nc1cccc2cccnc21)c1ccc([N+](=O)[O-])c(O)c1 ZINC000073312383 431368143 /nfs/dbraw/zinc/36/81/43/431368143.db2.gz GBUYMDYWLXPSIC-UHFFFAOYSA-N 0 2 309.281 3.101 20 5 DGBDLN Cc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)cc2o1 ZINC000074294811 431413194 /nfs/dbraw/zinc/41/31/94/431413194.db2.gz NQRXJLGEICMVNT-UHFFFAOYSA-N 0 2 313.269 3.002 20 5 DGBDLN CCS[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000078249245 431649391 /nfs/dbraw/zinc/64/93/91/431649391.db2.gz NJUIRXLFJXZPDW-BXUZGUMPSA-N 0 2 324.402 3.095 20 5 DGBDLN C[C@@H](Cc1ccccc1F)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000089531326 431869579 /nfs/dbraw/zinc/86/95/79/431869579.db2.gz PFWHJOIZDVGUOR-JTQLQIEISA-N 0 2 318.304 3.257 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1nccc2ccccc21 ZINC000089530858 431869657 /nfs/dbraw/zinc/86/96/57/431869657.db2.gz WNTUHBXXYDYAKU-UHFFFAOYSA-N 0 2 309.281 3.101 20 5 DGBDLN CC(C)(C)c1ncsc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000089531483 431869841 /nfs/dbraw/zinc/86/98/41/431869841.db2.gz SQXKTRFHWQGPNX-UHFFFAOYSA-N 0 2 321.358 3.307 20 5 DGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2)c(Cl)c1 ZINC000048652055 431929089 /nfs/dbraw/zinc/92/90/89/431929089.db2.gz HBTNBKITCRWRHG-UHFFFAOYSA-N 0 2 312.734 3.049 20 5 DGBDLN CN(CCC1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184732542 432427774 /nfs/dbraw/zinc/42/77/74/432427774.db2.gz MRSNJANKEKOYDL-UHFFFAOYSA-N 0 2 306.362 3.343 20 5 DGBDLN CC1CCC(N(C(=O)c2cc([N+](=O)[O-])ccc2O)C2CC2)CC1 ZINC000179459066 281733373 /nfs/dbraw/zinc/73/33/73/281733373.db2.gz CGIXOOLVNQPKIB-UHFFFAOYSA-N 0 2 318.373 3.484 20 5 DGBDLN Cc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nc2ccccc12 ZINC000186011837 432552967 /nfs/dbraw/zinc/55/29/67/432552967.db2.gz UTKGSRRSTXBINI-UHFFFAOYSA-N 0 2 323.308 3.409 20 5 DGBDLN CCC[C@H](C)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000156114805 432588743 /nfs/dbraw/zinc/58/87/43/432588743.db2.gz DEBNIIKXZLJDDI-WCQYABFASA-N 0 2 306.362 3.341 20 5 DGBDLN CCC[C@@]1(C)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000158081375 432637024 /nfs/dbraw/zinc/63/70/24/432637024.db2.gz LCCBGEQSMTZFRV-INIZCTEOSA-N 0 2 306.362 3.343 20 5 DGBDLN CC[C@@H](C)n1ncc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1C ZINC000361312427 433097179 /nfs/dbraw/zinc/09/71/79/433097179.db2.gz SZVJGBDGCYUREG-SECBINFHSA-N 0 2 318.333 3.029 20 5 DGBDLN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000334011607 433143934 /nfs/dbraw/zinc/14/39/34/433143934.db2.gz NLQYGMHQSSLVHE-MBNYWOFBSA-N 0 2 320.389 3.491 20 5 DGBDLN Cc1c(CNc2nc(C3CCCC3)ns2)cccc1[N+](=O)[O-] ZINC000420613132 433224681 /nfs/dbraw/zinc/22/46/81/433224681.db2.gz QTQRHBIUMIIYSO-UHFFFAOYSA-N 0 2 318.402 3.446 20 5 DGBDLN Cc1ccc(C[C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2O)s1 ZINC000436668207 434061719 /nfs/dbraw/zinc/06/17/19/434061719.db2.gz APKFNFRTZRQBNI-VIFPVBQESA-N 0 2 320.370 3.031 20 5 DGBDLN CCC(=O)c1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000436651187 434054305 /nfs/dbraw/zinc/05/43/05/434054305.db2.gz DLMBIQBGYXEFFP-UHFFFAOYSA-N 0 2 314.297 3.145 20 5 DGBDLN O=C(N[C@H](c1ccccc1)C1CC1)c1cc([N+](=O)[O-])ccc1O ZINC000436674599 434058853 /nfs/dbraw/zinc/05/88/53/434058853.db2.gz QUKRPEFFTXAHQP-MRXNPFEDSA-N 0 2 312.325 3.182 20 5 DGBDLN C[C@@H](CCCC(F)(F)F)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436812650 434117003 /nfs/dbraw/zinc/11/70/03/434117003.db2.gz BMEMPONRDNYZFO-QMMMGPOBSA-N 0 2 320.267 3.151 20 5 DGBDLN Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(C(C)C)n1 ZINC000450392501 434148226 /nfs/dbraw/zinc/14/82/26/434148226.db2.gz PGDQLJUBSJEFKY-UHFFFAOYSA-N 0 2 315.329 3.380 20 5 DGBDLN CCCCC[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436966636 434189568 /nfs/dbraw/zinc/18/95/68/434189568.db2.gz OCMGPFAOJYTGES-GFCCVEGCSA-N 0 2 306.362 3.485 20 5 DGBDLN CC(C)(C)c1cnc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)s1 ZINC000436964581 434190486 /nfs/dbraw/zinc/19/04/86/434190486.db2.gz RNURKWWTPPCOQH-UHFFFAOYSA-N 0 2 321.358 3.307 20 5 DGBDLN C[C@H](C1CCCCC1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436680880 298266609 /nfs/dbraw/zinc/26/66/09/298266609.db2.gz LNHSMYLBLIIIPV-LLVKDONJSA-N 0 2 306.362 3.341 20 5 DGBDLN CCc1cccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000511121153 435313412 /nfs/dbraw/zinc/31/34/12/435313412.db2.gz NCISHFQSGGOFRT-UHFFFAOYSA-N 0 2 320.370 3.266 20 5 DGBDLN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@H]2CCCC[C@H]12 ZINC000530680543 313395524 /nfs/dbraw/zinc/39/55/24/313395524.db2.gz KZMKKIXRTFKYES-BNOWGMLFSA-N 0 2 318.373 3.341 20 5 DGBDLN O=C(Nc1cccc(C(F)F)c1)c1ccc([N+](=O)[O-])cc1O ZINC000184732820 534333785 /nfs/dbraw/zinc/33/37/85/534333785.db2.gz SMTGJCSRIIAOHJ-UHFFFAOYSA-N 0 2 308.240 3.490 20 5 DGBDLN CC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1C ZINC000165381616 527313694 /nfs/dbraw/zinc/31/36/94/527313694.db2.gz UOWKIYQRNFQWKX-UHFFFAOYSA-N 0 2 314.297 3.064 20 5 DGBDLN CCN(Cc1cccs1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179413757 528853510 /nfs/dbraw/zinc/85/35/10/528853510.db2.gz DKXXBQZOLFBYIF-UHFFFAOYSA-N 0 2 306.343 3.024 20 5 DGBDLN CC[C@H](C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C(F)(F)F ZINC000444546217 529255563 /nfs/dbraw/zinc/25/55/63/529255563.db2.gz MFAVVSSETCUUFL-CPCISQLKSA-N 0 2 320.267 3.007 20 5 DGBDLN CC(C)CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000773340437 623014600 /nfs/dbraw/zinc/01/46/00/623014600.db2.gz OKWOWSMETDRIID-UHFFFAOYSA-N 0 2 306.362 3.199 20 5 DGBDLN C[C@H](NC(=O)c1cccc(Cl)c1O)c1cccc([N+](=O)[O-])c1 ZINC000775663495 623308861 /nfs/dbraw/zinc/30/88/61/623308861.db2.gz CUZUTXRXAFYRRN-VIFPVBQESA-N 0 2 320.732 3.445 20 5 DGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cccc2cccnc21 ZINC000776194330 623394620 /nfs/dbraw/zinc/39/46/20/623394620.db2.gz HLAHFZHYGICDOC-UHFFFAOYSA-N 0 2 309.281 3.101 20 5 DGBDLN CC1(C)CC[C@H](c2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)c2ccccc21 ZINC000817092440 627853162 /nfs/dbraw/zinc/85/31/62/627853162.db2.gz GOOJFFVKHDBWLS-OUCADQQQSA-N 0 2 313.357 3.406 20 5 DGBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(-c2ccc(Cl)c(Cl)c2)no1 ZINC000842486413 630540321 /nfs/dbraw/zinc/54/03/21/630540321.db2.gz FSEFNUOUPBXFFQ-HZGVNTEJSA-N 0 2 300.101 3.176 20 5 DGBDLN Cc1cccc([C@@H](c2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)C(C)C)c1 ZINC000842504235 630542758 /nfs/dbraw/zinc/54/27/58/630542758.db2.gz MEIHAIRHRLFLBS-MCIONIFRSA-N 0 2 301.346 3.299 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C(F)(F)c1ccccc1 ZINC000180776385 655968843 /nfs/dbraw/zinc/96/88/43/655968843.db2.gz JMEXFCUACRVPAG-UHFFFAOYSA-N 0 2 308.240 3.031 20 5 DGBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1c2ccccc2CC[C@H]1c1ccccc1 ZINC001586095249 1192307959 /nfs/dbraw/zinc/30/79/59/1192307959.db2.gz WNCMXOYFXIOWLE-BPQIPLTHSA-N 0 2 322.364 3.372 20 5 DGBDLN CC[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001611279387 1193429207 /nfs/dbraw/zinc/42/92/07/1193429207.db2.gz GMMXVDVRSUPTAM-ZDUSSCGKSA-N 0 2 314.341 3.052 20 5 DGBDLN C[C@@H]1CCCC[C@@H]1CCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001617468684 1193571175 /nfs/dbraw/zinc/57/11/75/1193571175.db2.gz QRVGTFAQXITBGI-VXGBXAGGSA-N 0 2 306.362 3.247 20 5 DGBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(Cl)cc1 ZINC001556939785 1189031078 /nfs/dbraw/zinc/03/10/78/1189031078.db2.gz PRRYACURQWHWLS-VIFPVBQESA-N 0 2 320.732 3.445 20 5 DGBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CCC[C@H](C)C1 ZINC001557041154 1189037484 /nfs/dbraw/zinc/03/74/84/1189037484.db2.gz UAACRXAGERFLFL-SDDRHHMPSA-N 0 2 306.362 3.245 20 5 DGBDLN O=C(Cc1cccc(C2CC2)c1)Nc1cc([N+](=O)[O-])ccc1O ZINC001567229544 1190081921 /nfs/dbraw/zinc/08/19/21/1190081921.db2.gz JDPWJOXZVQMMJC-UHFFFAOYSA-N 0 2 312.325 3.359 20 5 DGBDLN O=C(/C=C\C=C(Cl)Cl)Nc1cc([N+](=O)[O-])ccc1O ZINC001567229720 1190082080 /nfs/dbraw/zinc/08/20/80/1190082080.db2.gz MDOAWJQMXYYVPY-IWQZZHSRSA-N 0 2 303.101 3.114 20 5 DGBDLN CCc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC001624412120 1193996304 /nfs/dbraw/zinc/99/63/04/1193996304.db2.gz RBRCJHVDRYUYLE-LLVKDONJSA-N 0 2 314.341 3.354 20 5 DGBDLN O=C(/C=C\CCc1ccccc1)Nc1cc([N+](=O)[O-])ccc1O ZINC001624547306 1194003206 /nfs/dbraw/zinc/00/32/06/1194003206.db2.gz UZALLEFXOHHXAO-UITAMQMPSA-N 0 2 312.325 3.428 20 5 DGBDLN C[C@@H]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)[C@H]1C ZINC001634331149 1194487858 /nfs/dbraw/zinc/48/78/58/1194487858.db2.gz YQPBCHHAJYERLA-WOPDTQHZSA-N 0 2 306.362 3.103 20 5 DGBDLN CC(C)c1ncsc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001636794783 1194635120 /nfs/dbraw/zinc/63/51/20/1194635120.db2.gz QVFOJJBDQAHOCH-UHFFFAOYSA-N 0 2 307.331 3.133 20 5 DGBDLN O=C(Cc1cccc2ncccc12)Nc1cc([N+](=O)[O-])ccc1O ZINC001637881632 1194691647 /nfs/dbraw/zinc/69/16/47/1194691647.db2.gz LMANEPPRXFVGBC-UHFFFAOYSA-N 0 2 323.308 3.030 20 5 DGBDLN CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1O)C1=CCCC1 ZINC001141877152 1092353970 /nfs/dbraw/zinc/35/39/70/1092353970.db2.gz HNCCECAKNYAVQY-UHFFFAOYSA-N 0 2 304.346 3.167 20 5 DGBDLN O=[N+]([O-])c1cccc(O)c1-c1nc(-c2ccccc2F)no1 ZINC001216845612 1094269078 /nfs/dbraw/zinc/26/90/78/1094269078.db2.gz XWJFJUVQPBORKZ-UHFFFAOYSA-N 0 2 301.233 3.157 20 5 DGBDLN O=[N+]([O-])c1cccc(O)c1-c1nc(-c2cccc(F)c2F)no1 ZINC001216845331 1094269335 /nfs/dbraw/zinc/26/93/35/1094269335.db2.gz JLVUPYNGGODSFS-UHFFFAOYSA-N 0 2 319.223 3.296 20 5 DGBDLN Cc1ccc(F)c(-c2noc(-c3c(O)cccc3[N+](=O)[O-])n2)c1 ZINC001216845284 1094269436 /nfs/dbraw/zinc/26/94/36/1094269436.db2.gz HRHSYMGKMPUIRQ-UHFFFAOYSA-N 0 2 315.260 3.465 20 5 DGBDLN CSc1nc(O[C@@H](C)c2cccs2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227625033 1096963061 /nfs/dbraw/zinc/96/30/61/1096963061.db2.gz MVLZASLXCAZWCR-LURJTMIESA-N 0 2 313.360 3.014 20 5 DGBDLN CSc1nc(O[C@@H](C)CCC(C)C)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227624969 1096963487 /nfs/dbraw/zinc/96/34/87/1096963487.db2.gz LMPJZRZWDHXIIL-QMMMGPOBSA-N 0 2 301.368 3.016 20 5 DGBDLN Cc1cccc(OC[C@@H](C)Oc2cc(O)cc(O)c2[N+](=O)[O-])c1 ZINC001228973498 1097229881 /nfs/dbraw/zinc/22/98/81/1097229881.db2.gz JOUVPBOKHOVJMS-LLVKDONJSA-N 0 2 319.313 3.161 20 5 DGBDLN O=[N+]([O-])c1c(O)cc(O)cc1O[C@H]1CCc2c1nccc2Cl ZINC001228972210 1097229976 /nfs/dbraw/zinc/22/99/76/1097229976.db2.gz UUSHKUUFDFBLMQ-NSHDSACASA-N 0 2 322.704 3.121 20 5 DGBDLN COc1ccc([C@@H](C)Oc2cc(O)cc(O)c2[N+](=O)[O-])c(F)c1 ZINC001228972704 1097230137 /nfs/dbraw/zinc/23/01/37/1097230137.db2.gz CPVVKILKYRAWQB-MRVPVSSYSA-N 0 2 323.276 3.294 20 5 DGBDLN C=COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC001626156381 1103692070 /nfs/dbraw/zinc/69/20/70/1103692070.db2.gz IDJBOQSCYCGNDR-UHFFFAOYSA-N 0 2 300.270 3.075 20 5 DGBDLN COc1cc(O)c(-c2nc3c(ccc(F)c3F)[nH]2)cc1[N+](=O)[O-] ZINC001251775664 1105694344 /nfs/dbraw/zinc/69/43/44/1105694344.db2.gz DZALEJJCKJXOMC-UHFFFAOYSA-N 0 2 321.239 3.131 20 5 DGBDLN CSc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)ccc1F ZINC000092546729 185325251 /nfs/dbraw/zinc/32/52/51/185325251.db2.gz LAIVCPKMAWDCDM-UHFFFAOYSA-N 0 2 322.317 3.414 20 5 DGBDLN CCOCCC1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCCC1 ZINC000092546111 185325254 /nfs/dbraw/zinc/32/52/54/185325254.db2.gz NPLUDBNWEGDQDR-UHFFFAOYSA-N 0 2 322.361 3.226 20 5 DGBDLN CC[C@@H](C)[C@H](C)N(C(=O)c1cc([N+](=O)[O-])ccc1O)C1CC1 ZINC000179482691 199043132 /nfs/dbraw/zinc/04/31/32/199043132.db2.gz GODQUGSRKPNXJY-MNOVXSKESA-N 0 2 306.362 3.340 20 5 DGBDLN CCS[C@H]1CCCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000179493493 199045203 /nfs/dbraw/zinc/04/52/03/199045203.db2.gz RGSQTYAPRFTFDP-LBPRGKRZSA-N 0 2 324.402 3.048 20 5 DGBDLN CCS[C@@H]1CCCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000179493480 199045771 /nfs/dbraw/zinc/04/57/71/199045771.db2.gz RGSQTYAPRFTFDP-GFCCVEGCSA-N 0 2 324.402 3.048 20 5 DGBDLN COc1cccc([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000180767361 432098271 /nfs/dbraw/zinc/09/82/71/432098271.db2.gz DLLAHMRGWPPSDN-SNVBAGLBSA-N 0 2 316.313 3.051 20 5 DGBDLN O=[N+]([O-])c1ccc(OCC2OCCO2)c(-c2cccs2)c1 ZINC000194625869 201263835 /nfs/dbraw/zinc/26/38/35/201263835.db2.gz BMZFYIVFMPVZAE-UHFFFAOYSA-N 0 2 307.327 3.075 20 5 DGBDLN Cn1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1C1CCC1 ZINC000343880359 254199036 /nfs/dbraw/zinc/19/90/36/254199036.db2.gz QXKXGKGUHZTESH-UHFFFAOYSA-N 0 2 315.329 3.159 20 5 DGBDLN CCCC[C@@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000609045501 400137911 /nfs/dbraw/zinc/13/79/11/400137911.db2.gz QQSVUTQIBDEXLM-DGCLKSJQSA-N 0 2 306.362 3.389 20 5 DGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(C2CCCC2)CC1 ZINC000611535409 400418168 /nfs/dbraw/zinc/41/81/68/400418168.db2.gz NCXIDRSFLCRXMP-UHFFFAOYSA-N 0 2 318.373 3.343 20 5 DGBDLN CCC1(CC)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000598215775 400761605 /nfs/dbraw/zinc/76/16/05/400761605.db2.gz LPEITQXPSWEIQL-UHFFFAOYSA-N 0 2 306.362 3.343 20 5 DGBDLN CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1O)CC(F)(F)F ZINC000598581877 400836208 /nfs/dbraw/zinc/83/62/08/400836208.db2.gz RQTZUKMLLAOXPQ-UHFFFAOYSA-N 0 2 320.267 3.009 20 5 DGBDLN CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1O)CC(F)(F)F ZINC000598582444 400836304 /nfs/dbraw/zinc/83/63/04/400836304.db2.gz YLUWATKIUFMJKK-UHFFFAOYSA-N 0 2 320.267 3.009 20 5 DGBDLN C[C@H]1c2ccccc2CCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000181988565 432155188 /nfs/dbraw/zinc/15/51/88/432155188.db2.gz RELAHAIWAHBRGL-NSHDSACASA-N 0 2 312.325 3.060 20 5 DGBDLN O=C(Nc1ccc2ncccc2c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000164238177 228264331 /nfs/dbraw/zinc/26/43/31/228264331.db2.gz ONLOKFMUNWUUTJ-UHFFFAOYSA-N 0 2 309.281 3.101 20 5 DGBDLN Cc1cc(Cl)cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1O ZINC000116978992 431543698 /nfs/dbraw/zinc/54/36/98/431543698.db2.gz TZVUFPVGQSVPRI-UHFFFAOYSA-N 0 2 322.704 3.220 20 5 DGBDLN O=C(Nc1nc2ccccc2s1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000028839496 431710804 /nfs/dbraw/zinc/71/08/04/431710804.db2.gz BGMJFXAONVIGND-UHFFFAOYSA-N 0 2 315.310 3.162 20 5 DGBDLN O=C(Nc1ccc(Cl)cc1F)c1ccc([N+](=O)[O-])cc1O ZINC000184585835 432407878 /nfs/dbraw/zinc/40/78/78/432407878.db2.gz UEBGQYVXCYVQBJ-UHFFFAOYSA-N 0 2 310.668 3.345 20 5 DGBDLN Cn1ccc2cccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)c21 ZINC000188131172 432707550 /nfs/dbraw/zinc/70/75/50/432707550.db2.gz QBDMVJRJFZRRGC-UHFFFAOYSA-N 0 2 311.297 3.044 20 5 DGBDLN CC(C)N(Cc1cccs1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274617906 432689484 /nfs/dbraw/zinc/68/94/84/432689484.db2.gz JYWAYZONGYELAE-UHFFFAOYSA-N 0 2 320.370 3.413 20 5 DGBDLN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000245609905 432848656 /nfs/dbraw/zinc/84/86/56/432848656.db2.gz NPUVDSUQBSEVTA-UHIISALHSA-N 0 2 304.346 3.094 20 5 DGBDLN CCN(Cc1cccc(F)c1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000349479121 432966508 /nfs/dbraw/zinc/96/65/08/432966508.db2.gz XLRQLLFZRBXDSQ-UHFFFAOYSA-N 0 2 318.304 3.102 20 5 DGBDLN O=C(C[C@H]1C[C@H]1c1ccccc1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000354622634 433184551 /nfs/dbraw/zinc/18/45/51/433184551.db2.gz ZMQOORWVKLZZJJ-OCCSQVGLSA-N 0 2 312.325 3.433 20 5 DGBDLN CC[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)CC(F)(F)F ZINC000414004098 433348722 /nfs/dbraw/zinc/34/87/22/433348722.db2.gz KQCWLOXHIMLQIE-QMMMGPOBSA-N 0 2 320.267 3.009 20 5 DGBDLN CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)[C@H]1C(C)C ZINC000456327098 433593355 /nfs/dbraw/zinc/59/33/55/433593355.db2.gz IYFHCBUVRROMEB-HIFRSBDPSA-N 0 2 306.362 3.053 20 5 DGBDLN O=C(N[C@@H](c1ccccc1)C1CC1)c1cc([N+](=O)[O-])ccc1O ZINC000436674597 434060664 /nfs/dbraw/zinc/06/06/64/434060664.db2.gz QUKRPEFFTXAHQP-INIZCTEOSA-N 0 2 312.325 3.182 20 5 DGBDLN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1 ZINC000509789348 294365541 /nfs/dbraw/zinc/36/55/41/294365541.db2.gz KRNBQYQDCPPOGX-INIZCTEOSA-N 0 2 314.341 3.428 20 5 DGBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1cccc(F)c1F ZINC000436901145 434159919 /nfs/dbraw/zinc/15/99/19/434159919.db2.gz QLPIDBZLJSGGIV-QMMMGPOBSA-N 0 2 322.267 3.070 20 5 DGBDLN CCC1CCC(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000318609681 434214419 /nfs/dbraw/zinc/21/44/19/434214419.db2.gz WUJUBCWKPJKDBV-UHFFFAOYSA-N 0 2 306.362 3.247 20 5 DGBDLN COc1c(C)cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1C ZINC000180489319 294891356 /nfs/dbraw/zinc/89/13/56/294891356.db2.gz XAYZBVFYDJDQBJ-UHFFFAOYSA-N 0 2 316.313 3.178 20 5 DGBDLN O=[N+]([O-])c1ccc(-c2nc3cnc(C(F)(F)F)cc3[nH]2)cc1O ZINC000446144580 434852067 /nfs/dbraw/zinc/85/20/67/434852067.db2.gz MQCVFQLYNWBGSR-UHFFFAOYSA-N 0 2 324.218 3.258 20 5 DGBDLN C[C@@H]1Cc2ccccc2N(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000436992537 297501708 /nfs/dbraw/zinc/50/17/08/297501708.db2.gz ZQOQMBAQCRNVIO-LLVKDONJSA-N 0 2 312.325 3.139 20 5 DGBDLN C[C@@H]1Cc2ccccc2N(C(=O)c2ccc(O)c([N+](=O)[O-])c2)C1 ZINC000436959434 297501910 /nfs/dbraw/zinc/50/19/10/297501910.db2.gz HKIODUPQVZMESP-LLVKDONJSA-N 0 2 312.325 3.139 20 5 DGBDLN Cc1ccc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc1 ZINC000480188999 435368848 /nfs/dbraw/zinc/36/88/48/435368848.db2.gz HSNXNOTYWCRPPF-UHFFFAOYSA-N 0 2 320.370 3.321 20 5 DGBDLN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000568461762 435438501 /nfs/dbraw/zinc/43/85/01/435438501.db2.gz XPAZIUIMWGRSRW-KBPBESRZSA-N 0 2 314.389 3.187 20 5 DGBDLN C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)[C@H]2CCCC[C@H]12 ZINC000565557952 315270311 /nfs/dbraw/zinc/27/03/11/315270311.db2.gz ZQRHMPNHQXXKBF-KYOSRNDESA-N 0 2 318.373 3.341 20 5 DGBDLN CC(C)CC[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182128547 527857664 /nfs/dbraw/zinc/85/76/64/527857664.db2.gz ZCQIDFKUFAKOIQ-GFCCVEGCSA-N 0 2 306.362 3.341 20 5 DGBDLN CCC[C@H](C)[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182128627 528073630 /nfs/dbraw/zinc/07/36/30/528073630.db2.gz FEKSFMTZDDRNED-FZMZJTMJSA-N 0 2 306.362 3.341 20 5 DGBDLN CCN(CCc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179435442 528591883 /nfs/dbraw/zinc/59/18/83/528591883.db2.gz JTBGIASYQUKDOU-UHFFFAOYSA-N 0 2 314.341 3.005 20 5 DGBDLN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](F)C(F)(F)F ZINC000294777138 528941540 /nfs/dbraw/zinc/94/15/40/528941540.db2.gz ZPRDQBTVGXVMJL-NSHDSACASA-N 0 2 322.258 3.232 20 5 DGBDLN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(F)C(F)(F)F ZINC000294777138 528941547 /nfs/dbraw/zinc/94/15/47/528941547.db2.gz ZPRDQBTVGXVMJL-NSHDSACASA-N 0 2 322.258 3.232 20 5 DGBDLN O=C1CC(c2ccc([N+](=O)[O-])cc2)=NN1CC1CCCCC1 ZINC000917345855 620665498 /nfs/dbraw/zinc/66/54/98/620665498.db2.gz NHNIUYHVEJCRIT-UHFFFAOYSA-N 0 2 301.346 3.112 20 5 DGBDLN O=c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1CC1CCCCC1 ZINC000917345855 620665501 /nfs/dbraw/zinc/66/55/01/620665501.db2.gz NHNIUYHVEJCRIT-UHFFFAOYSA-N 0 2 301.346 3.112 20 5 DGBDLN O=C(CC[C@H]1CC1(Cl)Cl)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000832011665 629435515 /nfs/dbraw/zinc/43/55/15/629435515.db2.gz ZHXPCRCYZROWCX-ZETCQYMHSA-N 0 2 319.144 3.213 20 5 DGBDLN O=C(/C=C/c1cccc(F)c1)Nc1cc([N+](=O)[O-])ccc1O ZINC000089531702 662245358 /nfs/dbraw/zinc/24/53/58/662245358.db2.gz MHUXEFDGYNVWGF-QPJJXVBHSA-N 0 2 302.261 3.091 20 5 DGBDLN Cc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1Cl ZINC001447270852 1182185522 /nfs/dbraw/zinc/18/55/22/1182185522.db2.gz VPFDEJYRPCYMGQ-UHFFFAOYSA-N 0 2 320.732 3.443 20 5 DGBDLN O=C(c1ccc(Cl)c(O)c1)N1CCc2c1cccc2[N+](=O)[O-] ZINC001465335837 1183143130 /nfs/dbraw/zinc/14/31/30/1183143130.db2.gz FBRCVTLAHCTLJA-UHFFFAOYSA-N 0 2 318.716 3.157 20 5 DGBDLN O=C(NC[C@@H]1CCC=CCCC1)c1ccc([N+](=O)[O-])cc1O ZINC001606672457 1193202618 /nfs/dbraw/zinc/20/26/18/1193202618.db2.gz JSKBFMRJODQTAW-GFCCVEGCSA-N 0 2 304.346 3.167 20 5 DGBDLN O=C(NC1(C2CCCCC2)CC1)c1ccc([N+](=O)[O-])cc1O ZINC001472298512 1183631823 /nfs/dbraw/zinc/63/18/23/1183631823.db2.gz VCVLXTCONKQOTR-UHFFFAOYSA-N 0 2 304.346 3.143 20 5 DGBDLN O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1cccc(F)c1O ZINC001528272036 1187479402 /nfs/dbraw/zinc/47/94/02/1187479402.db2.gz KABDWGUUCFMTSA-UHFFFAOYSA-N 0 2 310.668 3.345 20 5 DGBDLN CC(C)C1CCC(CNC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC001545542820 1188432423 /nfs/dbraw/zinc/43/24/23/1188432423.db2.gz FABRCAAYVLXPKM-UHFFFAOYSA-N 0 2 320.389 3.493 20 5 DGBDLN C[C@@H]1CCCC[C@H]1CCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001617468678 1193571014 /nfs/dbraw/zinc/57/10/14/1193571014.db2.gz QRVGTFAQXITBGI-NEPJUHHUSA-N 0 2 306.362 3.247 20 5 DGBDLN CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C1CCCC1 ZINC001556984705 1189033040 /nfs/dbraw/zinc/03/30/40/1189033040.db2.gz ZYZGNRPNFDRELF-CQSZACIVSA-N 0 2 306.362 3.389 20 5 DGBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CCC[C@@H](C)C1 ZINC001557041153 1189037510 /nfs/dbraw/zinc/03/75/10/1189037510.db2.gz UAACRXAGERFLFL-GRYCIOLGSA-N 0 2 306.362 3.245 20 5 DGBDLN CCCC[C@@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001565558378 1189654835 /nfs/dbraw/zinc/65/48/35/1189654835.db2.gz XZJYGJVLIQLFSA-RISCZKNCSA-N 0 2 306.362 3.389 20 5 DGBDLN CON(C[C@H]1CCC[C@H](C)C1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC001625466222 1194052864 /nfs/dbraw/zinc/05/28/64/1194052864.db2.gz DISUAEUPVNHGEJ-RYUDHWBXSA-N 0 2 322.361 3.130 20 5 DGBDLN CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC001627446666 1194128897 /nfs/dbraw/zinc/12/88/97/1194128897.db2.gz KFCGZAFKMQBUSH-VXGBXAGGSA-N 0 2 306.362 3.245 20 5 DGBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CC2CCC1CC2 ZINC001631863391 1194359368 /nfs/dbraw/zinc/35/93/68/1194359368.db2.gz XEJSKZSDRUSWBL-QZLRTXKQSA-N 0 2 318.373 3.245 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N(c1ccccc1)C1CCC1 ZINC001641644601 1194864668 /nfs/dbraw/zinc/86/46/68/1194864668.db2.gz QTZALNJPRPWWOG-UHFFFAOYSA-N 0 2 312.325 3.500 20 5 DGBDLN C[C@H](NC(=O)c1cccc(Cl)c1O)c1ccc([N+](=O)[O-])cc1 ZINC001625915030 1084092200 /nfs/dbraw/zinc/09/22/00/1084092200.db2.gz AMWGOIJMSGRICN-VIFPVBQESA-N 0 2 320.732 3.445 20 5 DGBDLN CC(C)(C)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)nc1 ZINC001153455109 1088253069 /nfs/dbraw/zinc/25/30/69/1088253069.db2.gz JDFASGHOXCEMOH-UHFFFAOYSA-N 0 2 315.329 3.245 20 5 DGBDLN COc1cccc(N(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c2ccccc2)c1 ZINC001129125727 1091196258 /nfs/dbraw/zinc/19/62/58/1091196258.db2.gz JWGUDHNZXLUMTK-HZPDHXFCSA-N 0 2 312.325 3.025 20 5 DGBDLN CCCC1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC001142243884 1092447662 /nfs/dbraw/zinc/44/76/62/1092447662.db2.gz DPKABDJXEVQUEJ-UHFFFAOYSA-N 0 2 306.362 3.389 20 5 DGBDLN Cc1cc(-c2noc(-c3cc(O)ccc3[N+](=O)[O-])n2)cc(C)n1 ZINC001216682186 1094249138 /nfs/dbraw/zinc/24/91/38/1094249138.db2.gz HWBYZVHGUUKQIF-UHFFFAOYSA-N 0 2 312.285 3.029 20 5 DGBDLN Cc1ccc(-c2noc(-c3c(O)cccc3[N+](=O)[O-])n2)cc1F ZINC001216845599 1094269453 /nfs/dbraw/zinc/26/94/53/1094269453.db2.gz XFYHHBMRWABTFB-UHFFFAOYSA-N 0 2 315.260 3.465 20 5 DGBDLN CCC[C@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001143918359 1095439497 /nfs/dbraw/zinc/43/94/97/1095439497.db2.gz SOPIXVPJQLQAPP-SMDDNHRTSA-N 0 2 306.362 3.389 20 5 DGBDLN COc1cc(C)c(C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001147064446 1096161479 /nfs/dbraw/zinc/16/14/79/1096161479.db2.gz HKFQXWZDKJBQBX-UHFFFAOYSA-N 0 2 316.313 3.178 20 5 DGBDLN C[C@H](COCc1ccccc1)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225620183 1096485590 /nfs/dbraw/zinc/48/55/90/1096485590.db2.gz OKYOLNHQNBYIEV-GFCCVEGCSA-N 0 2 303.314 3.285 20 5 DGBDLN CC(C)Oc1ncccc1COc1cccc(O)c1[N+](=O)[O-] ZINC001225625653 1096487450 /nfs/dbraw/zinc/48/74/50/1096487450.db2.gz LKVNTEICAKGCBW-UHFFFAOYSA-N 0 2 304.302 3.062 20 5 DGBDLN CC[C@H](Oc1nc(SC)[nH]c(=O)c1[N+](=O)[O-])C(C)(C)C ZINC001227625472 1096963454 /nfs/dbraw/zinc/96/34/54/1096963454.db2.gz XVOULFHJJZMNCQ-ZETCQYMHSA-N 0 2 301.368 3.016 20 5 DGBDLN Cc1cc2nc3nc(=O)[nH]c(O[C@@H]4C[C@H]5C[C@H]5C4)c3nc2cc1C ZINC001228685335 1097168248 /nfs/dbraw/zinc/16/82/48/1097168248.db2.gz FFXCXFNHSYUESQ-ZSBIGDGJSA-N 0 2 322.368 3.073 20 5 DGBDLN COc1ccccc1[C@H](C)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228971603 1097229050 /nfs/dbraw/zinc/22/90/50/1097229050.db2.gz QSDZOQHDCHXJBR-VIFPVBQESA-N 0 2 305.286 3.155 20 5 DGBDLN O=C([O-])c1cc(Nc2ccc(-n3cc[nH+]c3)cc2)cc([N+](=O)[O-])c1 ZINC001176678354 1098405286 /nfs/dbraw/zinc/40/52/86/1098405286.db2.gz OJVVCGJHGUXQQB-UHFFFAOYSA-N 0 2 324.296 3.222 20 5 DGBDLN O=[N+]([O-])c1cc(Cc2nc(-c3cccc(F)c3)no2)ccc1O ZINC001247988241 1105028925 /nfs/dbraw/zinc/02/89/25/1105028925.db2.gz JFQMJPQPIOOELQ-UHFFFAOYSA-N 0 2 315.260 3.080 20 5 DGBDLN CCn1c2ccc(F)cc2nc1-c1cc(O)ccc1[N+](=O)[O-] ZINC001250852589 1105594537 /nfs/dbraw/zinc/59/45/37/1105594537.db2.gz CIDQFPRFEZXFNO-UHFFFAOYSA-N 0 2 301.277 3.476 20 5 DGBDLN Cc1ccc(-c2nnc(-c3cc(O)ccc3[N+](=O)[O-])o2)cc1F ZINC001258785564 1106974876 /nfs/dbraw/zinc/97/48/76/1106974876.db2.gz PXCLWPATOIBASD-UHFFFAOYSA-N 0 2 315.260 3.465 20 5 DGBDLN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cccs1 ZINC000132312294 529671659 /nfs/dbraw/zinc/67/16/59/529671659.db2.gz XCDBDMFCTRLXOJ-SNVBAGLBSA-N 0 2 306.343 3.243 20 5 DGBDLN O=C(N[C@H]1CCCc2sccc21)c1ccc([N+](=O)[O-])cc1O ZINC000436940390 303968673 /nfs/dbraw/zinc/96/86/73/303968673.db2.gz WKQHZVCLBZYMNI-LBPRGKRZSA-N 0 2 318.354 3.169 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1C[C@@]12CCc1ccccc12 ZINC000180766522 303998847 /nfs/dbraw/zinc/99/88/47/303998847.db2.gz FILHIWMOMYVSOK-RDTXWAMCSA-N 0 2 324.336 3.143 20 5 DGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cccn1C1CCCC1 ZINC000166107707 432058686 /nfs/dbraw/zinc/05/86/86/432058686.db2.gz OPSKBSYMLQROIZ-UHFFFAOYSA-N 0 2 315.329 3.469 20 5 DGBDLN C[C@@H](c1ccco1)N(C(=O)c1cc([N+](=O)[O-])ccc1O)C1CC1 ZINC000179449321 199037618 /nfs/dbraw/zinc/03/76/18/199037618.db2.gz OGYYUDKGPLOXSV-JTQLQIEISA-N 0 2 316.313 3.259 20 5 DGBDLN COc1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c(C)cc1C ZINC000436925113 238574240 /nfs/dbraw/zinc/57/42/40/238574240.db2.gz FVDJQSYCFVWCGE-UHFFFAOYSA-N 0 2 316.313 3.178 20 5 DGBDLN CC(C)c1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cs1 ZINC000180766414 432099086 /nfs/dbraw/zinc/09/90/86/432099086.db2.gz DXBFMAFPNQMZPA-UHFFFAOYSA-N 0 2 307.331 3.133 20 5 DGBDLN Cc1cccc(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000059315840 184136822 /nfs/dbraw/zinc/13/68/22/184136822.db2.gz RQOPYBTXJWAJNN-NSHDSACASA-N 0 2 316.313 3.015 20 5 DGBDLN Cc1cccc(OCCC(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000120873224 195254389 /nfs/dbraw/zinc/25/43/89/195254389.db2.gz MNKGEWUXFVNXDG-UHFFFAOYSA-N 0 2 316.313 3.016 20 5 DGBDLN CC1(C)CCC[C@H]1N1N=C(c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000601946868 400384012 /nfs/dbraw/zinc/38/40/12/400384012.db2.gz RAQMPYOISUEZTK-CQSZACIVSA-N 0 2 301.346 3.110 20 5 DGBDLN CC1(C)CCC[C@H]1n1[nH]c(-c2ccc([N+](=O)[O-])cc2)cc1=O ZINC000601946868 400384016 /nfs/dbraw/zinc/38/40/16/400384016.db2.gz RAQMPYOISUEZTK-CQSZACIVSA-N 0 2 301.346 3.110 20 5 DGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@H]1c1cccc(F)c1 ZINC000611535437 400418000 /nfs/dbraw/zinc/41/80/00/400418000.db2.gz WDNOPSAPONHNDU-AWEZNQCLSA-N 0 2 316.288 3.027 20 5 DGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CC[C@@H](C2CCCCC2)C1 ZINC000598151886 400752055 /nfs/dbraw/zinc/75/20/55/400752055.db2.gz AXISCXPVQZPHGE-CYBMUJFWSA-N 0 2 318.373 3.343 20 5 DGBDLN O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCCCc2sccc21 ZINC000619557667 400866830 /nfs/dbraw/zinc/86/68/30/400866830.db2.gz PLAZGYMYDBEIKK-UHFFFAOYSA-N 0 2 318.354 3.345 20 5 DGBDLN O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000599072932 400950433 /nfs/dbraw/zinc/95/04/33/400950433.db2.gz COILPYSFUZLKPZ-YOEHRIQHSA-N 0 2 315.417 3.189 20 5 DGBDLN C[C@@H](c1ccco1)[N@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593732167 400900335 /nfs/dbraw/zinc/90/03/35/400900335.db2.gz JHNFBTWZCRBRIV-JTQLQIEISA-N 0 2 304.302 3.079 20 5 DGBDLN C[C@@H](c1ccco1)[N@@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593732167 400900340 /nfs/dbraw/zinc/90/03/40/400900340.db2.gz JHNFBTWZCRBRIV-JTQLQIEISA-N 0 2 304.302 3.079 20 5 DGBDLN CCO[C@@H](CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1)C1=CCCC1 ZINC000361663388 286710570 /nfs/dbraw/zinc/71/05/70/286710570.db2.gz UEVDKQPALFAPCR-HNNXBMFYSA-N 0 2 320.345 3.144 20 5 DGBDLN Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1cccs1 ZINC000191567217 165259655 /nfs/dbraw/zinc/25/96/55/165259655.db2.gz BQUBVULOFVAGQO-UHFFFAOYSA-N 0 2 312.372 3.074 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc2cnccc21 ZINC000356301982 266346812 /nfs/dbraw/zinc/34/68/12/266346812.db2.gz YRNUMEVHIUINIF-UHFFFAOYSA-N 0 2 309.281 3.101 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC2(CCC2)c2ccccc21 ZINC000368988675 271228772 /nfs/dbraw/zinc/22/87/72/271228772.db2.gz BCQRQFZKELVLTC-UHFFFAOYSA-N 0 2 324.336 3.383 20 5 DGBDLN CSc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000007745683 431363308 /nfs/dbraw/zinc/36/33/08/431363308.db2.gz APWXTKNIHUPYSQ-UHFFFAOYSA-N 0 2 324.383 3.118 20 5 DGBDLN Cc1ccc([C@@H](C)N(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000074421483 431418310 /nfs/dbraw/zinc/41/83/10/431418310.db2.gz OYWOSANKJRRVRY-GFCCVEGCSA-N 0 2 314.341 3.442 20 5 DGBDLN CCCc1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000032098365 431771681 /nfs/dbraw/zinc/77/16/81/431771681.db2.gz PMOORYRELQXCAC-UHFFFAOYSA-N 0 2 320.370 3.348 20 5 DGBDLN CC(C)Oc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000089531731 431869866 /nfs/dbraw/zinc/86/98/66/431869866.db2.gz PZXZPTBONIAIQU-UHFFFAOYSA-N 0 2 316.313 3.340 20 5 DGBDLN C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000271353484 432378954 /nfs/dbraw/zinc/37/89/54/432378954.db2.gz YUSOYPDUHVAJPW-KEYYUXOJSA-N 0 2 314.389 3.435 20 5 DGBDLN CCS[C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000174911964 432379186 /nfs/dbraw/zinc/37/91/86/432379186.db2.gz YYIDXNMQUKAKPV-NWDGAFQWSA-N 0 2 324.402 3.095 20 5 DGBDLN O=C(Nc1ccc2ncsc2c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000192675856 432399970 /nfs/dbraw/zinc/39/99/70/432399970.db2.gz XREOGSHTRIXXAW-UHFFFAOYSA-N 0 2 315.310 3.162 20 5 DGBDLN CSc1cccc(N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000184831397 432438557 /nfs/dbraw/zinc/43/85/57/432438557.db2.gz NAVUSTICCTUKJL-UHFFFAOYSA-N 0 2 318.354 3.299 20 5 DGBDLN CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184930746 432446415 /nfs/dbraw/zinc/44/64/15/432446415.db2.gz UNZMMGGMJSBFNL-RISCZKNCSA-N 0 2 306.362 3.341 20 5 DGBDLN COc1cccc(C(=O)Nc2cccc(Cl)c2O)c1[N+](=O)[O-] ZINC000192827976 432419112 /nfs/dbraw/zinc/41/91/12/432419112.db2.gz MFMHOJNQQWNPDI-UHFFFAOYSA-N 0 2 322.704 3.215 20 5 DGBDLN CC[C@@H](C)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C(F)(F)F ZINC000277548998 432859582 /nfs/dbraw/zinc/85/95/82/432859582.db2.gz BVSQMVHHKPZKOW-HQJQHLMTSA-N 0 2 320.267 3.007 20 5 DGBDLN O=C(C[C@H]1C[C@@H]1c1ccccc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000354524938 433127260 /nfs/dbraw/zinc/12/72/60/433127260.db2.gz ICMWSXKWXBARHT-TZMCWYRMSA-N 0 2 312.325 3.433 20 5 DGBDLN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C)oc1C ZINC000290578407 433105856 /nfs/dbraw/zinc/10/58/56/433105856.db2.gz VJEJPIPMCCAEAI-UHFFFAOYSA-N 0 2 324.358 3.168 20 5 DGBDLN Cc1nc2c(cccc2C(=O)Nc2cc([N+](=O)[O-])ccc2O)o1 ZINC000350667151 433246943 /nfs/dbraw/zinc/24/69/43/433246943.db2.gz AQOICTNXLAMVEA-UHFFFAOYSA-N 0 2 313.269 3.002 20 5 DGBDLN O=[N+]([O-])c1ccc(-c2nc([C@H]3CCC(F)(F)C3)no2)cc1O ZINC000281240970 433274638 /nfs/dbraw/zinc/27/46/38/433274638.db2.gz CZFVGSTWESIADV-QMMMGPOBSA-N 0 2 311.244 3.253 20 5 DGBDLN CC[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)CC(F)(F)F ZINC000414004097 433347497 /nfs/dbraw/zinc/34/74/97/433347497.db2.gz KQCWLOXHIMLQIE-MRVPVSSYSA-N 0 2 320.267 3.009 20 5 DGBDLN CC(C)(C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000457080184 433972159 /nfs/dbraw/zinc/97/21/59/433972159.db2.gz MDRFBKSPVIUWAS-LLVKDONJSA-N 0 2 306.362 3.199 20 5 DGBDLN CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1cccs1 ZINC000436876141 434146336 /nfs/dbraw/zinc/14/63/36/434146336.db2.gz ZWTJBODEXWSEDQ-UHFFFAOYSA-N 0 2 320.370 3.070 20 5 DGBDLN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1cccc(F)c1F ZINC000436955009 434185160 /nfs/dbraw/zinc/18/51/60/434185160.db2.gz BWYJJKQDESZQIR-QMMMGPOBSA-N 0 2 322.267 3.070 20 5 DGBDLN O=C(Nc1cc(F)cc(Cl)c1O)c1ccccc1[N+](=O)[O-] ZINC000353901203 434511386 /nfs/dbraw/zinc/51/13/86/434511386.db2.gz ZSDKOKUKGHQZIT-UHFFFAOYSA-N 0 2 310.668 3.345 20 5 DGBDLN CC(C)C[C@@]1(C)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000452986212 434770862 /nfs/dbraw/zinc/77/08/62/434770862.db2.gz DLPAASHZNOZMNC-MRXNPFEDSA-N 0 2 306.362 3.341 20 5 DGBDLN CCCC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CCC1 ZINC000465465290 435031736 /nfs/dbraw/zinc/03/17/36/435031736.db2.gz JQVAKJGOEYFHDG-ZDUSSCGKSA-N 0 2 306.362 3.389 20 5 DGBDLN Cc1ccccc1Cc1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000556311952 435003175 /nfs/dbraw/zinc/00/31/75/435003175.db2.gz JMYUVHAOJBIPIN-UHFFFAOYSA-N 0 2 311.297 3.250 20 5 DGBDLN CC(C)c1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000479193599 435323161 /nfs/dbraw/zinc/32/31/61/435323161.db2.gz ZLZULUBFQQKKIE-UHFFFAOYSA-N 0 2 314.341 3.354 20 5 DGBDLN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000568461763 435438935 /nfs/dbraw/zinc/43/89/35/435438935.db2.gz XPAZIUIMWGRSRW-KGLIPLIRSA-N 0 2 314.389 3.187 20 5 DGBDLN C[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184791088 300540143 /nfs/dbraw/zinc/54/01/43/300540143.db2.gz ZAPOXSGXSYFBAY-WDMOLILDSA-N 0 2 304.346 3.094 20 5 DGBDLN Cc1cc(-c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)ccc1F ZINC000429879169 301034872 /nfs/dbraw/zinc/03/48/72/301034872.db2.gz JKRYZEYVDWCSGU-UHFFFAOYSA-N 0 2 315.260 3.465 20 5 DGBDLN Cc1cc(F)cc(-c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)c1 ZINC000445202877 301298847 /nfs/dbraw/zinc/29/88/47/301298847.db2.gz IIENYHWMJCBNGH-UHFFFAOYSA-N 0 2 315.260 3.465 20 5 DGBDLN C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)[C@H]2CCCC[C@@H]12 ZINC000565557955 315270450 /nfs/dbraw/zinc/27/04/50/315270450.db2.gz ZQRHMPNHQXXKBF-ZLDLUXBVSA-N 0 2 318.373 3.341 20 5 DGBDLN C[C@@H](c1ccccc1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000157462995 534101000 /nfs/dbraw/zinc/10/10/00/534101000.db2.gz RDEJNBOSOPPVJP-NSHDSACASA-N 0 2 300.314 3.134 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N(Cc1ccccc1)C1CC1 ZINC000157485709 534720323 /nfs/dbraw/zinc/72/03/23/534720323.db2.gz FZEHUOHSDMNNQW-UHFFFAOYSA-N 0 2 312.325 3.105 20 5 DGBDLN CC(C)CC[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182128525 527820895 /nfs/dbraw/zinc/82/08/95/527820895.db2.gz ZCQIDFKUFAKOIQ-LBPRGKRZSA-N 0 2 306.362 3.341 20 5 DGBDLN CCC[C@@H](C)[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182128641 528906368 /nfs/dbraw/zinc/90/63/68/528906368.db2.gz FEKSFMTZDDRNED-BXUZGUMPSA-N 0 2 306.362 3.341 20 5 DGBDLN CSc1cc[nH+]cc1[N-]C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000750113789 575705206 /nfs/dbraw/zinc/70/52/06/575705206.db2.gz AFCSLLSSVVSFGJ-UHFFFAOYSA-N 0 2 307.306 3.103 20 5 DGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 ZINC000753701722 621460588 /nfs/dbraw/zinc/46/05/88/621460588.db2.gz DHMUVULQOCCASU-UHFFFAOYSA-N 0 2 312.325 3.432 20 5 DGBDLN CC(C)CC1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000797196340 626124862 /nfs/dbraw/zinc/12/48/62/626124862.db2.gz DAKMRQYLAUWQRL-UHFFFAOYSA-N 0 2 306.362 3.199 20 5 DGBDLN CCOC(=O)c1csc(/C=C\c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000806563444 626721699 /nfs/dbraw/zinc/72/16/99/626721699.db2.gz XDCQCWULERAIRU-XQRVVYSFSA-N 0 2 320.326 3.104 20 5 DGBDLN CC(C)(CCc1noc(-c2cccc(Cl)c2O)n1)[N+](=O)[O-] ZINC000812812953 627424153 /nfs/dbraw/zinc/42/41/53/627424153.db2.gz ZSQQNSMWUAPPNR-UHFFFAOYSA-N 0 2 311.725 3.084 20 5 DGBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(Cc2c(Cl)cccc2Cl)no1 ZINC000842488338 630540789 /nfs/dbraw/zinc/54/07/89/630540789.db2.gz ZHCDHNNIKOCMNG-GMSGAONNSA-N 0 2 314.128 3.100 20 5 DGBDLN Cc1cccc([C@H](c2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)C(C)C)c1 ZINC000842504239 630543001 /nfs/dbraw/zinc/54/30/01/630543001.db2.gz MEIHAIRHRLFLBS-MGPQQGTHSA-N 0 2 301.346 3.299 20 5 DGBDLN O=C1Nc2cc(Cl)ccc2/C1=C\c1ccc([N+](=O)[O-])c(O)c1 ZINC000194659972 662170910 /nfs/dbraw/zinc/17/09/10/662170910.db2.gz VNJKZKQRWIQFHD-VZUCSPMQSA-N 0 2 316.700 3.447 20 5 DGBDLN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C1CCCCC1 ZINC001584178733 1192182312 /nfs/dbraw/zinc/18/23/12/1192182312.db2.gz PZHXMOXKNAJRFG-CQSZACIVSA-N 0 2 306.362 3.389 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc2cccnc2c1 ZINC001447268487 1182185007 /nfs/dbraw/zinc/18/50/07/1182185007.db2.gz QKBAWSKPIVSTSV-UHFFFAOYSA-N 0 2 309.281 3.101 20 5 DGBDLN O=C(Nc1ccccc1C(F)F)c1ccc([N+](=O)[O-])cc1O ZINC001451991498 1182279287 /nfs/dbraw/zinc/27/92/87/1182279287.db2.gz MFCCXPJKJSOWPF-UHFFFAOYSA-N 0 2 308.240 3.490 20 5 DGBDLN O=C(NC1CCC(C2CCC2)CC1)c1ccc([N+](=O)[O-])cc1O ZINC001453729353 1182323191 /nfs/dbraw/zinc/32/31/91/1182323191.db2.gz DETMBODLZXVGAQ-UHFFFAOYSA-N 0 2 318.373 3.389 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1Cc2ccc(Cl)cc21 ZINC001466629088 1183215769 /nfs/dbraw/zinc/21/57/69/1183215769.db2.gz QGTRQPYGNMPXIB-LBPRGKRZSA-N 0 2 318.716 3.232 20 5 DGBDLN Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC001610478715 1193391739 /nfs/dbraw/zinc/39/17/39/1193391739.db2.gz XRPLSWDZPVMCJN-UHFFFAOYSA-N 0 2 312.325 3.117 20 5 DGBDLN Cc1cc([N+](=O)[O-])ccc1C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC001610478715 1193391742 /nfs/dbraw/zinc/39/17/42/1193391742.db2.gz XRPLSWDZPVMCJN-UHFFFAOYSA-N 0 2 312.325 3.117 20 5 DGBDLN Cc1cc(F)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(F)c1 ZINC001610895094 1193416031 /nfs/dbraw/zinc/41/60/31/1193416031.db2.gz FLQISGHLAFIDCX-UHFFFAOYSA-N 0 2 308.240 3.139 20 5 DGBDLN CC1(C)C2CCC1(C(=O)Nc1cc([N+](=O)[O-])ccc1O)CC2 ZINC001567232626 1190083001 /nfs/dbraw/zinc/08/30/01/1190083001.db2.gz XJGSTYSMTWLFLC-UHFFFAOYSA-N 0 2 304.346 3.455 20 5 DGBDLN O=C(/C=C/CCc1ccccc1)Nc1cc([N+](=O)[O-])ccc1O ZINC001624547307 1194003011 /nfs/dbraw/zinc/00/30/11/1194003011.db2.gz UZALLEFXOHHXAO-WEVVVXLNSA-N 0 2 312.325 3.428 20 5 DGBDLN C[C@H](CCc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001628414777 1194176725 /nfs/dbraw/zinc/17/67/25/1194176725.db2.gz NEFJLHHYXYDDHS-GFCCVEGCSA-N 0 2 314.341 3.052 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc2scnc2c1 ZINC001633356469 1194433308 /nfs/dbraw/zinc/43/33/08/1194433308.db2.gz UUWDQYAKUINQKI-UHFFFAOYSA-N 0 2 315.310 3.162 20 5 DGBDLN C[C@@H](NC(=O)c1c(O)cc(F)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC001639045432 1194747947 /nfs/dbraw/zinc/74/79/47/1194747947.db2.gz VVHFLMKHLFCXCL-MRVPVSSYSA-N 0 2 322.267 3.070 20 5 DGBDLN Cc1cc(F)ccc1-c1noc(-c2cc(O)ccc2[N+](=O)[O-])n1 ZINC001216678600 1094248095 /nfs/dbraw/zinc/24/80/95/1094248095.db2.gz NAZVPAHVENDQAW-UHFFFAOYSA-N 0 2 315.260 3.465 20 5 DGBDLN Cc1cccc(-c2noc(-c3c(O)cccc3[N+](=O)[O-])n2)c1F ZINC001216845391 1094269037 /nfs/dbraw/zinc/26/90/37/1094269037.db2.gz MOTQZXCRHUDGCF-UHFFFAOYSA-N 0 2 315.260 3.465 20 5 DGBDLN COc1ccccc1-c1noc(-c2c(O)cccc2[N+](=O)[O-])n1 ZINC001216845298 1094269393 /nfs/dbraw/zinc/26/93/93/1094269393.db2.gz IESSZMMQFAZRGS-UHFFFAOYSA-N 0 2 313.269 3.026 20 5 DGBDLN O=C(Nc1ccc(F)c(Cl)c1)c1ccc([N+](=O)[O-])cc1O ZINC001135544211 1094570924 /nfs/dbraw/zinc/57/09/24/1094570924.db2.gz UUBDMQGHJYOCOS-UHFFFAOYSA-N 0 2 310.668 3.345 20 5 DGBDLN Cc1cc(C)c(CNC(=O)c2ccc([N+](=O)[O-])cc2O)c(C)c1 ZINC001136181674 1094931542 /nfs/dbraw/zinc/93/15/42/1094931542.db2.gz VIJWSTCANJOWLA-UHFFFAOYSA-N 0 2 314.341 3.156 20 5 DGBDLN Cc1cc(C)cc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC001144691831 1095759726 /nfs/dbraw/zinc/75/97/26/1095759726.db2.gz ABBRFPLOZDWWKS-GFCCVEGCSA-N 0 2 314.341 3.408 20 5 DGBDLN O=[N+]([O-])c1c(O)cccc1O[C@H]1C[C@@H](OCc2ccccc2)C1 ZINC001225619489 1096484935 /nfs/dbraw/zinc/48/49/35/1096484935.db2.gz BHJXWYNPRYQHQV-OKILXGFUSA-N 0 2 315.325 3.427 20 5 DGBDLN COc1ccccc1OC[C@H](C)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225619995 1096485075 /nfs/dbraw/zinc/48/50/75/1096485075.db2.gz MEHSMVAQNVCYRZ-NSHDSACASA-N 0 2 319.313 3.155 20 5 DGBDLN Cc1cccc2c1CC[C@H]2Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228968732 1097228728 /nfs/dbraw/zinc/22/87/28/1097228728.db2.gz ONTACUCMGQZKGB-CQSZACIVSA-N 0 2 301.298 3.381 20 5 DGBDLN C[C@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001228971940 1097229663 /nfs/dbraw/zinc/22/96/63/1097229663.db2.gz SZCWWJOQRIPAHF-QMMMGPOBSA-N 0 2 320.257 3.054 20 5 DGBDLN C[C@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])c1cccc(N(C)C)c1 ZINC001228973777 1097229721 /nfs/dbraw/zinc/22/97/21/1097229721.db2.gz MCNVUJCAWQNMPN-JTQLQIEISA-N 0 2 318.329 3.212 20 5 DGBDLN COc1cccc([C@@H](C)Oc2cc(O)cc(O)c2[N+](=O)[O-])c1 ZINC001228972529 1097230348 /nfs/dbraw/zinc/23/03/48/1097230348.db2.gz XQUONGSMGVJQFT-SECBINFHSA-N 0 2 305.286 3.155 20 5 DGBDLN CCCSc1nc(O[C@H](C)CCC)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229790738 1097387377 /nfs/dbraw/zinc/38/73/77/1097387377.db2.gz CRXGPDDLPBKIEJ-MRVPVSSYSA-N 0 2 301.368 3.160 20 5 DGBDLN CCOc1ccc2nc(-c3cc(O)ccc3[N+](=O)[O-])n(C)c2c1 ZINC001250852585 1105594460 /nfs/dbraw/zinc/59/44/60/1105594460.db2.gz CCSYHQZSVNBQNK-UHFFFAOYSA-N 0 2 313.313 3.253 20 5 DGBDLN O=[N+]([O-])c1ccc(O)c(-c2nc3c(cc(F)c(F)c3F)[nH]2)c1 ZINC001251045857 1105623865 /nfs/dbraw/zinc/62/38/65/1105623865.db2.gz NNGXPDRFKSFUBD-UHFFFAOYSA-N 0 2 309.203 3.261 20 5 DGBDLN Cc1ccc(-c2nnc(-c3ccc(F)cc3)o2)c([N+](=O)[O-])c1O ZINC001252260215 1105759610 /nfs/dbraw/zinc/75/96/10/1105759610.db2.gz KRHAFKSOWHCXEH-UHFFFAOYSA-N 0 2 315.260 3.465 20 5 DGBDLN O=[N+]([O-])c1ccc(-c2nnc(-c3cccc(F)c3)o2)c(O)c1 ZINC001254209480 1106035415 /nfs/dbraw/zinc/03/54/15/1106035415.db2.gz LPRVXKPQAIVIOU-UHFFFAOYSA-N 0 2 301.233 3.157 20 5 DGBDLN O=[N+]([O-])c1cccc(O)c1-c1nnc(Cc2cccc(F)c2)o1 ZINC001258576731 1106831135 /nfs/dbraw/zinc/83/11/35/1106831135.db2.gz NCLUZHFVUHKLRZ-UHFFFAOYSA-N 0 2 315.260 3.080 20 5 DGBDLN CC[C@@H](C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)C(F)(F)F ZINC000444538113 529419972 /nfs/dbraw/zinc/41/99/72/529419972.db2.gz BWXJBPQFLDBDGY-HQJQHLMTSA-N 0 2 320.267 3.007 20 5 DGBDLN O=C(Nc1cccc(-n2cccc2)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000170892656 432086704 /nfs/dbraw/zinc/08/67/04/432086704.db2.gz HQCQAYGRIFFKRN-UHFFFAOYSA-N 0 2 323.308 3.343 20 5 DGBDLN CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182059680 283682978 /nfs/dbraw/zinc/68/29/78/283682978.db2.gz LNCHDSTURKWCTB-BXUZGUMPSA-N 0 2 306.362 3.341 20 5 DGBDLN COc1ccc(-c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)cc1 ZINC000189932127 432105904 /nfs/dbraw/zinc/10/59/04/432105904.db2.gz SPOMSVVXQUMUKY-UHFFFAOYSA-N 0 2 313.269 3.026 20 5 DGBDLN CCc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000092546207 284007317 /nfs/dbraw/zinc/00/73/17/284007317.db2.gz QLBLZBFNFLNOEP-UHFFFAOYSA-N 0 2 300.314 3.044 20 5 DGBDLN CN(Cc1ccccc1Cl)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000017918630 182088495 /nfs/dbraw/zinc/08/84/95/182088495.db2.gz PMXFYDZOQJXTMF-UHFFFAOYSA-N 0 2 320.732 3.226 20 5 DGBDLN O=C(Nc1nccc2sccc21)c1ccc(O)c([N+](=O)[O-])c1 ZINC000129069821 284396738 /nfs/dbraw/zinc/39/67/38/284396738.db2.gz FUAMMGHODFUBMA-UHFFFAOYSA-N 0 2 315.310 3.162 20 5 DGBDLN CCCCCc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)n[nH]1 ZINC000597491783 400637668 /nfs/dbraw/zinc/63/76/68/400637668.db2.gz RASIMYPSODOUCH-UHFFFAOYSA-N 0 2 318.333 3.009 20 5 DGBDLN Cc1ccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1C ZINC000603969778 400738852 /nfs/dbraw/zinc/73/88/52/400738852.db2.gz MCYZQWZWFKNPMV-UHFFFAOYSA-N 0 2 320.370 3.321 20 5 DGBDLN Cc1ccc(-n2[nH]c(-c3ccc([N+](=O)[O-])cc3)cc2=O)c(C)c1 ZINC000603807682 400717565 /nfs/dbraw/zinc/71/75/65/400717565.db2.gz OEJTVBSLVMHRHU-UHFFFAOYSA-N 0 2 309.325 3.353 20 5 DGBDLN Cc1cccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1C ZINC000055547047 400876396 /nfs/dbraw/zinc/87/63/96/400876396.db2.gz VPJCMZNLGGAPSB-UHFFFAOYSA-N 0 2 320.370 3.321 20 5 DGBDLN O=C(CC1CCC(F)(F)CC1)Nc1cc([N+](=O)[O-])ccc1O ZINC000599714455 401124390 /nfs/dbraw/zinc/12/43/90/401124390.db2.gz XFZUCVJBSQMXBN-UHFFFAOYSA-N 0 2 314.288 3.455 20 5 DGBDLN CC1(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CCC(F)(F)CC1 ZINC000599751020 401132948 /nfs/dbraw/zinc/13/29/48/401132948.db2.gz QKEYMGGJVISAFI-UHFFFAOYSA-N 0 2 314.288 3.455 20 5 DGBDLN CCS[C@H]1CCCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000184774595 286718631 /nfs/dbraw/zinc/71/86/31/286718631.db2.gz BEFXJCDDNOQGRY-LBPRGKRZSA-N 0 2 324.402 3.048 20 5 DGBDLN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H]1c1ccccc1 ZINC000184830420 296921723 /nfs/dbraw/zinc/92/17/23/296921723.db2.gz RCDWBFJQWVWBLK-BZNIZROVSA-N 0 2 312.325 3.134 20 5 DGBDLN Cc1cc(C)cc(N(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000183450663 228374608 /nfs/dbraw/zinc/37/46/08/228374608.db2.gz IEJAPCVKUDKVID-UHFFFAOYSA-N 0 2 300.314 3.194 20 5 DGBDLN Cc1nc([N+](=O)[O-])cn1CCC(=O)Oc1cc(C)ccc1Cl ZINC000299421154 229107500 /nfs/dbraw/zinc/10/75/00/229107500.db2.gz WDJREMZKRQYUJK-UHFFFAOYSA-N 0 2 323.736 3.057 20 5 DGBDLN O=C(NCc1cccc2ccccc21)c1ccc([N+](=O)[O-])c(O)c1 ZINC000074377294 431417937 /nfs/dbraw/zinc/41/79/37/431417937.db2.gz XPHYGMNIFXNKGW-UHFFFAOYSA-N 0 2 322.320 3.384 20 5 DGBDLN COc1c(C)ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1C ZINC000029914209 431729826 /nfs/dbraw/zinc/72/98/26/431729826.db2.gz IMFXSTUCKWMHIA-UHFFFAOYSA-N 0 2 316.313 3.178 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(F)c1Cl ZINC000092549340 431909332 /nfs/dbraw/zinc/90/93/32/431909332.db2.gz DNPAWAQVRZPIHK-UHFFFAOYSA-N 0 2 310.668 3.345 20 5 DGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(F)cc2)cc1C ZINC000060436712 431998650 /nfs/dbraw/zinc/99/86/50/431998650.db2.gz IVOOIMOCXPLYLD-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1cccs1 ZINC000192731419 432406663 /nfs/dbraw/zinc/40/66/63/432406663.db2.gz YMADPYJJSIMAJV-UHFFFAOYSA-N 0 2 312.372 3.074 20 5 DGBDLN CCC[C@H](C)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184930798 432445967 /nfs/dbraw/zinc/44/59/67/432445967.db2.gz UNZMMGGMJSBFNL-SMDDNHRTSA-N 0 2 306.362 3.341 20 5 DGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@@H]1c1ccsc1 ZINC000272392499 432493446 /nfs/dbraw/zinc/49/34/46/432493446.db2.gz VFNRTFGJHTYCMN-CYBMUJFWSA-N 0 2 318.354 3.339 20 5 DGBDLN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000334011605 433145669 /nfs/dbraw/zinc/14/56/69/433145669.db2.gz NLQYGMHQSSLVHE-DYEKYZERSA-N 0 2 320.389 3.491 20 5 DGBDLN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)ccc1Cl ZINC000447707433 433261544 /nfs/dbraw/zinc/26/15/44/433261544.db2.gz OETJMHQUHQLVGH-UHFFFAOYSA-N 0 2 322.704 3.215 20 5 DGBDLN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(F)cc1F ZINC000436669678 434061696 /nfs/dbraw/zinc/06/16/96/434061696.db2.gz BFSUYWVBJNFQLX-QMMMGPOBSA-N 0 2 322.267 3.070 20 5 DGBDLN CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1O)c1cccs1 ZINC000436668749 434060505 /nfs/dbraw/zinc/06/05/05/434060505.db2.gz FHZUMYPBLDILHH-UHFFFAOYSA-N 0 2 320.370 3.070 20 5 DGBDLN CC(C)(NC(=O)c1ccc([N+](=O)[O-])cc1O)c1cccs1 ZINC000436996026 434196920 /nfs/dbraw/zinc/19/69/20/434196920.db2.gz CHUGOMIDZKZRLA-UHFFFAOYSA-N 0 2 306.343 3.027 20 5 DGBDLN O=[N+]([O-])c1ccc(-c2nc(-c3c[nH]c4ccccc34)no2)cc1O ZINC000445451752 434800701 /nfs/dbraw/zinc/80/07/01/434800701.db2.gz JWOPZNHNWOSHLE-UHFFFAOYSA-N 0 2 322.280 3.499 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc2c(c1)CCCC2 ZINC000534068256 435265925 /nfs/dbraw/zinc/26/59/25/435265925.db2.gz DNDRWWKLDHCVAN-UHFFFAOYSA-N 0 2 312.325 3.432 20 5 DGBDLN Cc1cc(C)c(CNc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])c[nH+]1 ZINC000567977916 435377120 /nfs/dbraw/zinc/37/71/20/435377120.db2.gz QEAOTYMEUPYVDA-UHFFFAOYSA-N 0 2 315.329 3.225 20 5 DGBDLN O=C(Nc1cncc2ccccc21)c1ccc([N+](=O)[O-])cc1O ZINC000548462804 435694122 /nfs/dbraw/zinc/69/41/22/435694122.db2.gz LFGJYWZPARVLQE-UHFFFAOYSA-N 0 2 309.281 3.101 20 5 DGBDLN Cc1cccc(CCCNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)[nH+]1 ZINC000582303971 324213716 /nfs/dbraw/zinc/21/37/16/324213716.db2.gz VLJHOTQLJRGBTN-UHFFFAOYSA-N 0 2 315.329 3.041 20 5 DGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC=C(c2ccccc2)C1 ZINC000375957521 518201933 /nfs/dbraw/zinc/20/19/33/518201933.db2.gz LPGWPINPFTYYRS-UHFFFAOYSA-N 0 2 324.336 3.230 20 5 DGBDLN CCS[C@H]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000158072382 521732629 /nfs/dbraw/zinc/73/26/29/521732629.db2.gz BQCDBLCURAXZPQ-PWSUYJOCSA-N 0 2 324.402 3.047 20 5 DGBDLN O=C(Nc1ccc(Cl)cc1F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000176881155 534829841 /nfs/dbraw/zinc/82/98/41/534829841.db2.gz XHEPSXROHKKCGI-UHFFFAOYSA-N 0 2 310.668 3.345 20 5 DGBDLN CC(C)Oc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000164252749 528197095 /nfs/dbraw/zinc/19/70/95/528197095.db2.gz UIXBWVXYYYANQL-UHFFFAOYSA-N 0 2 316.313 3.340 20 5 DGBDLN O=C(/C=C/c1ccccc1F)Nc1cc([N+](=O)[O-])ccc1O ZINC000770859374 622676087 /nfs/dbraw/zinc/67/60/87/622676087.db2.gz ZIWIMPRNWHYBRF-VMPITWQZSA-N 0 2 302.261 3.091 20 5 DGBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(-c2cc(Cl)ccc2Cl)no1 ZINC000924176696 627609818 /nfs/dbraw/zinc/60/98/18/627609818.db2.gz IHUHQXJZVYRFKM-VXNVDRBHSA-N 0 2 300.101 3.176 20 5 DGBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(CSc2ccc(Cl)cc2)no1 ZINC000842489598 630540804 /nfs/dbraw/zinc/54/08/04/630540804.db2.gz WMBHHTVZEGLJQZ-NXEZZACHSA-N 0 2 311.750 3.148 20 5 DGBDLN Cc1ccccc1[C@H](c1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1)C(C)C ZINC000842503231 630542949 /nfs/dbraw/zinc/54/29/49/630542949.db2.gz HTPPRZCDPPRVHA-MGPQQGTHSA-N 0 2 301.346 3.299 20 5 DGBDLN Cc1cccc(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC001586446868 1192331093 /nfs/dbraw/zinc/33/10/93/1192331093.db2.gz DGVRKKCPSRSDPP-UHFFFAOYSA-N 0 2 314.341 3.274 20 5 DGBDLN C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ncc(C(=O)[O-])s1 ZINC001604357690 1193068854 /nfs/dbraw/zinc/06/88/54/1193068854.db2.gz OEOOTSZCQVMGNF-IUCAKERBSA-N 0 2 321.358 3.161 20 5 DGBDLN O=C(C/C=C\Cc1ccccc1)Nc1cc([N+](=O)[O-])ccc1O ZINC001447258015 1182185742 /nfs/dbraw/zinc/18/57/42/1182185742.db2.gz DGJZTCUQTBKQOL-PLNGDYQASA-N 0 2 312.325 3.428 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc2ccncc21 ZINC001466629211 1183215610 /nfs/dbraw/zinc/21/56/10/1183215610.db2.gz VNEXHOBBFMXJGB-UHFFFAOYSA-N 0 2 309.281 3.101 20 5 DGBDLN CC(C)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)ccc1O ZINC001471503058 1183569893 /nfs/dbraw/zinc/56/98/93/1183569893.db2.gz MJQLGUVLPOKKAT-UHFFFAOYSA-N 0 2 316.313 3.382 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1C(F)F ZINC001556081221 1188982766 /nfs/dbraw/zinc/98/27/66/1188982766.db2.gz MPZVHFGUZCWBKO-UHFFFAOYSA-N 0 2 308.240 3.490 20 5 DGBDLN Cc1cc(F)c(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1F ZINC001556080610 1188983007 /nfs/dbraw/zinc/98/30/07/1188983007.db2.gz LLUGOCORWYNQQC-UHFFFAOYSA-N 0 2 322.267 3.068 20 5 DGBDLN C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC001556386355 1188997914 /nfs/dbraw/zinc/99/79/14/1188997914.db2.gz SSDNJMMXTAAKHK-GFCCVEGCSA-N 0 2 314.341 3.224 20 5 DGBDLN CC(C)(C)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)o1 ZINC001557964289 1189095343 /nfs/dbraw/zinc/09/53/43/1189095343.db2.gz MXHOFLXTPOIWDJ-UHFFFAOYSA-N 0 2 318.329 3.121 20 5 DGBDLN O=C(Cc1ccc(F)c(Cl)c1)Nc1cc([N+](=O)[O-])ccc1O ZINC001633349305 1194433493 /nfs/dbraw/zinc/43/34/93/1194433493.db2.gz ATOGILNWZWDTFY-UHFFFAOYSA-N 0 2 324.695 3.274 20 5 DGBDLN CC1(C)CCC[C@H]1CCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001633663483 1194449204 /nfs/dbraw/zinc/44/92/04/1194449204.db2.gz DSLGYLYFXHNRQI-NSHDSACASA-N 0 2 306.362 3.247 20 5 DGBDLN CC(C)Cc1ncc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)s1 ZINC001637881790 1194691889 /nfs/dbraw/zinc/69/18/89/1194691889.db2.gz SSXLVPCQNOZQAS-UHFFFAOYSA-N 0 2 321.358 3.208 20 5 DGBDLN C[C@@H]1c2ccccc2C[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599883191 989512457 /nfs/dbraw/zinc/51/24/57/989512457.db2.gz DEZQBOZQRKLIHF-LLVKDONJSA-N 0 2 312.325 3.370 20 5 DGBDLN C[C@@H]1c2ccccc2C[N@@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599883191 989512460 /nfs/dbraw/zinc/51/24/60/989512460.db2.gz DEZQBOZQRKLIHF-LLVKDONJSA-N 0 2 312.325 3.370 20 5 DGBDLN C[C@]1(C2CCCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC001152944546 1088119101 /nfs/dbraw/zinc/11/91/01/1088119101.db2.gz VUQMIWPOOQISGC-QGZVFWFLSA-N 0 2 318.373 3.485 20 5 DGBDLN COc1ccc(-c2noc(-c3cc(O)ccc3[N+](=O)[O-])n2)cc1 ZINC001216678412 1094247868 /nfs/dbraw/zinc/24/78/68/1094247868.db2.gz CAJBCDJOVYAIHW-UHFFFAOYSA-N 0 2 313.269 3.026 20 5 DGBDLN Cc1c(F)cccc1-c1noc(-c2c(O)cccc2[N+](=O)[O-])n1 ZINC001216845193 1094269343 /nfs/dbraw/zinc/26/93/43/1094269343.db2.gz BJZGDSDXPCEKJG-UHFFFAOYSA-N 0 2 315.260 3.465 20 5 DGBDLN Cc1cc(C)c(-c2noc(-c3c(O)cccc3[N+](=O)[O-])n2)cn1 ZINC001216847190 1094270234 /nfs/dbraw/zinc/27/02/34/1094270234.db2.gz USKYEZAAPQHVPU-UHFFFAOYSA-N 0 2 312.285 3.029 20 5 DGBDLN CC(C)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(O)c1 ZINC001138013547 1095835529 /nfs/dbraw/zinc/83/55/29/1095835529.db2.gz PWFOBESVAMRXGR-UHFFFAOYSA-N 0 2 316.313 3.382 20 5 DGBDLN CSc1nc(O[C@H](C)c2ccccc2C)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227625350 1096963211 /nfs/dbraw/zinc/96/32/11/1096963211.db2.gz WGNYEPCIZZOBHZ-SECBINFHSA-N 0 2 321.358 3.261 20 5 DGBDLN O=[N+]([O-])c1c(O)cc(O)cc1O[C@H]1CCc2c1cc(F)cc2F ZINC001228975050 1097229689 /nfs/dbraw/zinc/22/96/89/1097229689.db2.gz XULNZGHFBQGADO-ZDUSSCGKSA-N 0 2 323.251 3.351 20 5 DGBDLN COc1ccc([C@H](C)Oc2cc(O)cc(O)c2[N+](=O)[O-])c(F)c1 ZINC001228972705 1097230083 /nfs/dbraw/zinc/23/00/83/1097230083.db2.gz CPVVKILKYRAWQB-QMMMGPOBSA-N 0 2 323.276 3.294 20 5 DGBDLN O=C([O-])c1ccc(Nc2ccc(-n3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC001174504534 1097753502 /nfs/dbraw/zinc/75/35/02/1097753502.db2.gz SJBIPXXFACRBGU-UHFFFAOYSA-N 0 2 324.296 3.222 20 5 DGBDLN COc1cc(-c2nc3cc(C)cc(C)c3[nH]2)cc([N+](=O)[O-])c1O ZINC001250873756 1105597590 /nfs/dbraw/zinc/59/75/90/1105597590.db2.gz BQVPKSZKDIFULC-UHFFFAOYSA-N 0 2 313.313 3.469 20 5 DGBDLN Cc1ccccc1Cc1nnc(-c2ccc([N+](=O)[O-])cc2O)o1 ZINC001258455924 1106754390 /nfs/dbraw/zinc/75/43/90/1106754390.db2.gz SOSSYZFYXGUMLM-UHFFFAOYSA-N 0 2 311.297 3.250 20 5 DGBDLN O=C(NCC1CCCCCCC1)c1ccc([N+](=O)[O-])cc1O ZINC001291831839 1110276826 /nfs/dbraw/zinc/27/68/26/1110276826.db2.gz MJSXULOLKOCZFU-UHFFFAOYSA-N 0 2 306.362 3.391 20 5 DGBDLN C[C@@H](NC(=O)c1cc(F)c(O)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001303498171 1111145371 /nfs/dbraw/zinc/14/53/71/1111145371.db2.gz PTMIPXLAQRMUDW-MRVPVSSYSA-N 0 2 322.267 3.070 20 5 DGBDLN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(C)n1C1CC1 ZINC000092546015 185325176 /nfs/dbraw/zinc/32/51/76/185325176.db2.gz KMXLRAHYGYWUDU-UHFFFAOYSA-N 0 2 315.329 3.306 20 5 DGBDLN COc1c(Cl)cccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000133057603 432057049 /nfs/dbraw/zinc/05/70/49/432057049.db2.gz CANOPEFMYHJLQK-UHFFFAOYSA-N 0 2 322.704 3.215 20 5 DGBDLN C[C@@H](NCc1ccccc1[N+](=O)[O-])c1nc2ccccc2n1C ZINC000194619332 201263249 /nfs/dbraw/zinc/26/32/49/201263249.db2.gz XESVHZNNPLISEZ-GFCCVEGCSA-N 0 2 310.357 3.332 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(OC(F)F)c1 ZINC000120867406 195253706 /nfs/dbraw/zinc/25/37/06/195253706.db2.gz JJPKBUVPBSYKIO-UHFFFAOYSA-N 0 2 324.239 3.154 20 5 DGBDLN O=C(Nc1cccc(OC(F)F)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000077217489 400697121 /nfs/dbraw/zinc/69/71/21/400697121.db2.gz FLOULSPXBFTQLT-UHFFFAOYSA-N 0 2 324.239 3.154 20 5 DGBDLN CC[C@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000170810833 400775834 /nfs/dbraw/zinc/77/58/34/400775834.db2.gz VVTWYDRALNBQNK-CQSZACIVSA-N 0 2 314.341 3.052 20 5 DGBDLN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NOC1CCCC1 ZINC000271639235 209083508 /nfs/dbraw/zinc/08/35/08/209083508.db2.gz CHEHECMLXUBLJW-JTQLQIEISA-N 0 2 310.375 3.066 20 5 DGBDLN CSCc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000160233140 228245337 /nfs/dbraw/zinc/24/53/37/228245337.db2.gz GBCLKTOSLCQJPW-UHFFFAOYSA-N 0 2 318.354 3.416 20 5 DGBDLN CC(C)Cc1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cs1 ZINC000356298186 266345626 /nfs/dbraw/zinc/34/56/26/266345626.db2.gz SHSHJMPEPWFOQA-UHFFFAOYSA-N 0 2 321.358 3.208 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1sccc1C1CC1 ZINC000356321132 266353115 /nfs/dbraw/zinc/35/31/15/266353115.db2.gz MDKPJOFHNFBXDJ-UHFFFAOYSA-N 0 2 304.327 3.492 20 5 DGBDLN CC(C)(C)C1=CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000274725658 278299422 /nfs/dbraw/zinc/29/94/22/278299422.db2.gz ALHTVWSAMKRADF-UHFFFAOYSA-N 0 2 304.346 3.119 20 5 DGBDLN CC(C)C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000119332735 279206623 /nfs/dbraw/zinc/20/66/23/279206623.db2.gz BVOBDWITGVHERI-CYBMUJFWSA-N 0 2 306.362 3.341 20 5 DGBDLN CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1 ZINC000018153752 431617949 /nfs/dbraw/zinc/61/79/49/431617949.db2.gz JGWNERFMXQDHEL-GFCCVEGCSA-N 0 2 314.341 3.224 20 5 DGBDLN Cc1ccc2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)[nH]c2c1 ZINC000092545883 431909663 /nfs/dbraw/zinc/90/96/63/431909663.db2.gz PSMYMTDDJDLUIF-UHFFFAOYSA-N 0 2 311.297 3.342 20 5 DGBDLN CCC(CC)n1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)n1 ZINC000271445653 432397548 /nfs/dbraw/zinc/39/75/48/432397548.db2.gz HFXLKYQPJXLASK-UHFFFAOYSA-N 0 2 318.333 3.110 20 5 DGBDLN C[C@H](c1ccc(F)cc1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184614278 432412855 /nfs/dbraw/zinc/41/28/55/432412855.db2.gz YAFHRLABBPDCFU-SNVBAGLBSA-N 0 2 318.304 3.273 20 5 DGBDLN Cc1cccc(F)c1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000186490420 432601101 /nfs/dbraw/zinc/60/11/01/432601101.db2.gz YBLOPUOPQINXGT-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN O=C(Nc1nc(C2CCC2)cs1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000277531422 432858283 /nfs/dbraw/zinc/85/82/83/432858283.db2.gz ANMAGYHLVNHPEY-UHFFFAOYSA-N 0 2 319.342 3.277 20 5 DGBDLN C[C@@H](C1CCCCC1)N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000331320506 432937611 /nfs/dbraw/zinc/93/76/11/432937611.db2.gz JJQFEBXXVSJIDT-NSHDSACASA-N 0 2 306.362 3.341 20 5 DGBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)C1CCC(C)(C)CC1 ZINC000187883830 288922322 /nfs/dbraw/zinc/92/23/22/288922322.db2.gz RUYDTWCPLLKNDH-UHFFFAOYSA-N 0 2 306.362 3.341 20 5 DGBDLN Cc1cccc([C@H](C)CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000157217888 292741841 /nfs/dbraw/zinc/74/18/41/292741841.db2.gz NLCFVSHPMATCPF-GFCCVEGCSA-N 0 2 314.341 3.142 20 5 DGBDLN CCC(CC)(OC)c1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000290607219 433114518 /nfs/dbraw/zinc/11/45/18/433114518.db2.gz YGYPVGMGOQZEHN-UHFFFAOYSA-N 0 2 307.306 3.012 20 5 DGBDLN O=[N+]([O-])c1ccc(=NOC[C@@H]2CCOC2)[nH]c1-c1ccccc1 ZINC000302740248 433846330 /nfs/dbraw/zinc/84/63/30/433846330.db2.gz CKEQLJDLLWRPCU-GFCCVEGCSA-N 0 2 315.329 3.037 20 5 DGBDLN CC(C)(C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000457097647 433985485 /nfs/dbraw/zinc/98/54/85/433985485.db2.gz YHLCNSDXRJVJTJ-LLVKDONJSA-N 0 2 306.362 3.199 20 5 DGBDLN Cc1ccccc1C(C)(C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000508008202 294314697 /nfs/dbraw/zinc/31/46/97/294314697.db2.gz XEMAYDCADZUOCI-UHFFFAOYSA-N 0 2 314.341 3.274 20 5 DGBDLN Cc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)c([N+](=O)[O-])c1 ZINC000509628682 294358435 /nfs/dbraw/zinc/35/84/35/294358435.db2.gz MCHHKZPBOYTFAP-UHFFFAOYSA-N 0 2 320.370 3.321 20 5 DGBDLN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1 ZINC000509789364 294365604 /nfs/dbraw/zinc/36/56/04/294365604.db2.gz KRNBQYQDCPPOGX-MRXNPFEDSA-N 0 2 314.341 3.428 20 5 DGBDLN CCCOc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436859797 434143691 /nfs/dbraw/zinc/14/36/91/434143691.db2.gz LWUUFNBRLGUJAB-UHFFFAOYSA-N 0 2 316.313 3.342 20 5 DGBDLN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c2cccnc12 ZINC000436860901 434144410 /nfs/dbraw/zinc/14/44/10/434144410.db2.gz QPQKBTUCPSIYNC-UHFFFAOYSA-N 0 2 323.308 3.409 20 5 DGBDLN CCN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)c1cccc(C)c1 ZINC000436949598 434177063 /nfs/dbraw/zinc/17/70/63/434177063.db2.gz LJNAQWBHKJQYLH-UHFFFAOYSA-N 0 2 300.314 3.276 20 5 DGBDLN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1c(F)cccc1F ZINC000436953252 434183643 /nfs/dbraw/zinc/18/36/43/434183643.db2.gz NLXRJLBNUUPXEO-MRVPVSSYSA-N 0 2 322.267 3.070 20 5 DGBDLN CCCNc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436988669 434191559 /nfs/dbraw/zinc/19/15/59/434191559.db2.gz XISQFMBXSXFEDV-UHFFFAOYSA-N 0 2 315.329 3.375 20 5 DGBDLN CCOCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436981592 434194534 /nfs/dbraw/zinc/19/45/34/434194534.db2.gz RDEGPTMQTSUJEX-UHFFFAOYSA-N 0 2 316.313 3.089 20 5 DGBDLN Cn1ccc2c1cccc2NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000524276727 294972675 /nfs/dbraw/zinc/97/26/75/294972675.db2.gz GRASKEXXPYZQFG-UHFFFAOYSA-N 0 2 311.297 3.044 20 5 DGBDLN CC(C)C[C@@]1(C)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000452517099 434634133 /nfs/dbraw/zinc/63/41/33/434634133.db2.gz XVJMIYZJYQZGPR-MRXNPFEDSA-N 0 2 306.362 3.341 20 5 DGBDLN Cc1ccc(-c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)c(F)c1 ZINC000445386889 434796689 /nfs/dbraw/zinc/79/66/89/434796689.db2.gz TVQVYMDGNOOHSD-UHFFFAOYSA-N 0 2 315.260 3.465 20 5 DGBDLN CCCCn1ncc(Nc2ncc([N+](=O)[O-])cn2)c1C(C)C ZINC000477700815 435277418 /nfs/dbraw/zinc/27/74/18/435277418.db2.gz JFBFIHUWCHORLE-UHFFFAOYSA-N 0 2 304.354 3.248 20 5 DGBDLN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccc(F)c(F)c1 ZINC000538871246 435527656 /nfs/dbraw/zinc/52/76/56/435527656.db2.gz WUWZPUVCRBOHPV-MRVPVSSYSA-N 0 2 322.267 3.321 20 5 DGBDLN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@H]1c1ccccc1 ZINC000175186583 300193977 /nfs/dbraw/zinc/19/39/77/300193977.db2.gz QXWPXFYAIJGJJG-MEDUHNTESA-N 0 2 312.325 3.134 20 5 DGBDLN CCC1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000318626585 527841670 /nfs/dbraw/zinc/84/16/70/527841670.db2.gz BIKNZBSIJOPCCQ-UHFFFAOYSA-N 0 2 306.362 3.341 20 5 DGBDLN CCC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000185235664 528477687 /nfs/dbraw/zinc/47/76/87/528477687.db2.gz DEGYMZDDZNGKTM-UHFFFAOYSA-N 0 2 314.297 3.145 20 5 DGBDLN CCN(CCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184669153 528591509 /nfs/dbraw/zinc/59/15/09/528591509.db2.gz ZDLHLIKZSZHABL-UHFFFAOYSA-N 0 2 314.341 3.005 20 5 DGBDLN CC[C@H](C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C(F)(F)F ZINC000444546221 529218621 /nfs/dbraw/zinc/21/86/21/529218621.db2.gz MFAVVSSETCUUFL-WRWORJQWSA-N 0 2 320.267 3.007 20 5 DGBDLN CC(C)(CC(=O)Nc1cc([N+](=O)[O-])ccc1O)CC(F)F ZINC000901218454 619478779 /nfs/dbraw/zinc/47/87/79/619478779.db2.gz ROTAVWCWAGXFMQ-UHFFFAOYSA-N 0 2 302.277 3.310 20 5 DGBDLN Cc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)s1 ZINC000772348187 622887675 /nfs/dbraw/zinc/88/76/75/622887675.db2.gz DHTSCIQSOSZEJQ-VIFPVBQESA-N 0 2 306.343 3.161 20 5 DGBDLN C[C@@H]1c2sccc2CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000882183550 625659177 /nfs/dbraw/zinc/65/91/77/625659177.db2.gz BNOKXIHPDQESEP-SECBINFHSA-N 0 2 318.354 3.121 20 5 DGBDLN Cc1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c(C)c(C)c1O ZINC000803116495 626595362 /nfs/dbraw/zinc/59/53/62/626595362.db2.gz FBEYBKPDKRMFAH-UHFFFAOYSA-N 0 2 316.313 3.184 20 5 DGBDLN O=C(CC[C@H]1CC1(Cl)Cl)Nc1cc([N+](=O)[O-])ccc1O ZINC000831244187 629353317 /nfs/dbraw/zinc/35/33/17/629353317.db2.gz ZZBHJQGBOVYDHI-ZETCQYMHSA-N 0 2 319.144 3.213 20 5 DGBDLN C[N@H+](Cc1cc(C(=O)[O-])ccc1F)Cc1ccccc1[N+](=O)[O-] ZINC000833694823 629641426 /nfs/dbraw/zinc/64/14/26/629641426.db2.gz QXEJAMIGAKKUIJ-UHFFFAOYSA-N 0 2 318.304 3.064 20 5 DGBDLN C[N@@H+](Cc1cc(C(=O)[O-])ccc1F)Cc1ccccc1[N+](=O)[O-] ZINC000833694823 629641428 /nfs/dbraw/zinc/64/14/28/629641428.db2.gz QXEJAMIGAKKUIJ-UHFFFAOYSA-N 0 2 318.304 3.064 20 5 DGBDLN COc1ccc2cc(-c3noc([C@@H]4C[C@H]4[N+](=O)[O-])n3)ccc2c1 ZINC000842487468 630540252 /nfs/dbraw/zinc/54/02/52/630540252.db2.gz JFOVWERQEKCCJT-ZIAGYGMSSA-N 0 2 311.297 3.031 20 5 DGBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2C)c1F ZINC000177832085 655947937 /nfs/dbraw/zinc/94/79/37/655947937.db2.gz GETZHTRLMASGNF-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN O=C1Nc2cc(Cl)ccc2/C1=C\c1ccc(O)c([N+](=O)[O-])c1 ZINC000038291616 657745058 /nfs/dbraw/zinc/74/50/58/657745058.db2.gz MKFHLKPXKAMDGY-VZUCSPMQSA-N 0 2 316.700 3.447 20 5 DGBDLN COc1ccc(NC(=O)c2ccc(Cl)c(O)c2)cc1[N+](=O)[O-] ZINC001597260780 1192724571 /nfs/dbraw/zinc/72/45/71/1192724571.db2.gz YDLAJSJJLZKDGL-UHFFFAOYSA-N 0 2 322.704 3.215 20 5 DGBDLN CC[C@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001611279384 1193429245 /nfs/dbraw/zinc/42/92/45/1193429245.db2.gz GMMXVDVRSUPTAM-CYBMUJFWSA-N 0 2 314.341 3.052 20 5 DGBDLN C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001545245070 1188426369 /nfs/dbraw/zinc/42/63/69/1188426369.db2.gz JHCNEDJBTFJOJD-MFKMUULPSA-N 0 2 306.362 3.245 20 5 DGBDLN C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001545245069 1188426378 /nfs/dbraw/zinc/42/63/78/1188426378.db2.gz JHCNEDJBTFJOJD-GXFFZTMASA-N 0 2 306.362 3.245 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc2cnccc2c1 ZINC001567228940 1190081026 /nfs/dbraw/zinc/08/10/26/1190081026.db2.gz AUVQRSNTFCDJNM-UHFFFAOYSA-N 0 2 309.281 3.101 20 5 DGBDLN CCC[C@H](C)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)n[nH]1 ZINC001627537200 1194134014 /nfs/dbraw/zinc/13/40/14/1194134014.db2.gz BMVHINMKUOWBDN-VIFPVBQESA-N 0 2 318.333 3.179 20 5 DGBDLN CC(C)CC1(CNC(=O)c2ccc([N+](=O)[O-])cc2O)CCC1 ZINC001630580422 1194292635 /nfs/dbraw/zinc/29/26/35/1194292635.db2.gz PRPZDSFRCPELBC-UHFFFAOYSA-N 0 2 306.362 3.247 20 5 DGBDLN C[C@@H]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H]1C ZINC001634331148 1194487747 /nfs/dbraw/zinc/48/77/47/1194487747.db2.gz YQPBCHHAJYERLA-UTUOFQBUSA-N 0 2 306.362 3.103 20 5 DGBDLN C[C@H]1CC(CNC(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H](C)C1 ZINC001640131523 1194798443 /nfs/dbraw/zinc/79/84/43/1194798443.db2.gz SHLFLPWDXKRBKE-GHMZBOCLSA-N 0 2 306.362 3.103 20 5 DGBDLN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1F ZINC001644112147 1195082254 /nfs/dbraw/zinc/08/22/54/1195082254.db2.gz HXQAWVSBKHDXNW-CQSZACIVSA-N 0 2 318.304 3.321 20 5 DGBDLN CCC(CC)N(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(C)c(C)c1 ZINC001125423495 1082022915 /nfs/dbraw/zinc/02/29/15/1082022915.db2.gz IQQKRBAHSUAXEY-HZPDHXFCSA-N 0 2 304.390 3.490 20 5 DGBDLN CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001142064768 1092402288 /nfs/dbraw/zinc/40/22/88/1092402288.db2.gz AFZUCKZSSOLOAZ-STQMWFEESA-N 0 2 306.362 3.245 20 5 DGBDLN O=[N+]([O-])c1ccc(O)cc1-c1nc(-c2cccc(F)c2)no1 ZINC001216678568 1094248114 /nfs/dbraw/zinc/24/81/14/1094248114.db2.gz LUWMXVDLOBXKBN-UHFFFAOYSA-N 0 2 301.233 3.157 20 5 DGBDLN O=[N+]([O-])c1cccc(O)c1-c1nc(-c2cc(F)cc(F)c2)no1 ZINC001216845274 1094269355 /nfs/dbraw/zinc/26/93/55/1094269355.db2.gz HHCOAAIHNHMLGF-UHFFFAOYSA-N 0 2 319.223 3.296 20 5 DGBDLN Cc1ccc(-c2nc(-c3ccncc3C)no2)c([N+](=O)[O-])c1O ZINC001216856900 1094270993 /nfs/dbraw/zinc/27/09/93/1094270993.db2.gz TVBLUALGPIVVCP-UHFFFAOYSA-N 0 2 312.285 3.029 20 5 DGBDLN CNc1cc(Cl)ccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001138013075 1095835170 /nfs/dbraw/zinc/83/51/70/1095835170.db2.gz DJOLLCWABRYVLL-UHFFFAOYSA-N 0 2 321.720 3.248 20 5 DGBDLN O=[N+]([O-])c1c(O)cccc1OC1CCN(c2ccccc2)CC1 ZINC001225620187 1096485303 /nfs/dbraw/zinc/48/53/03/1096485303.db2.gz OLEALVYZDDADTK-UHFFFAOYSA-N 0 2 314.341 3.348 20 5 DGBDLN COc1ccc2c(c1)CC[C@@H](Oc1cccc(O)c1[N+](=O)[O-])C2 ZINC001225626436 1096487490 /nfs/dbraw/zinc/48/74/90/1096487490.db2.gz QCWARAFRCLPIKJ-CQSZACIVSA-N 0 2 315.325 3.245 20 5 DGBDLN CC[C@@H](Oc1nc(SC)[nH]c(=O)c1[N+](=O)[O-])C(C)(C)C ZINC001227625471 1096963049 /nfs/dbraw/zinc/96/30/49/1096963049.db2.gz XVOULFHJJZMNCQ-SSDOTTSWSA-N 0 2 301.368 3.016 20 5 DGBDLN CSc1nc(O[C@@H](C)CCC=C(C)C)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227624947 1096963175 /nfs/dbraw/zinc/96/31/75/1096963175.db2.gz KNFWWYZCQNGVSU-VIFPVBQESA-N 0 2 313.379 3.326 20 5 DGBDLN O=[N+]([O-])c1c(O)cc(O)cc1O[C@H]1CCCc2ccccc21 ZINC001228971274 1097229180 /nfs/dbraw/zinc/22/91/80/1097229180.db2.gz MSLQMWOLJNTVRI-AWEZNQCLSA-N 0 2 301.298 3.462 20 5 DGBDLN COc1cc(O)c(-c2nc3c([nH]2)c(C)ccc3F)cc1[N+](=O)[O-] ZINC001251778561 1105694317 /nfs/dbraw/zinc/69/43/17/1105694317.db2.gz JWVKUQVXOPTDMU-UHFFFAOYSA-N 0 2 317.276 3.300 20 5 DGBDLN O=[N+]([O-])c1ccc(O)cc1-c1nnc(-c2ccc(F)cc2)o1 ZINC001252251474 1105758451 /nfs/dbraw/zinc/75/84/51/1105758451.db2.gz DBYQUGLEYIEXJV-UHFFFAOYSA-N 0 2 301.233 3.157 20 5 DGBDLN CC[C@H](C)C[C@H](C)NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000088299699 185245131 /nfs/dbraw/zinc/24/51/31/185245131.db2.gz AMXLDROFJJCWBX-IUCAKERBSA-N 0 2 300.305 3.428 20 5 DGBDLN O=C(C/C=C/c1ccccc1F)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546996 185325057 /nfs/dbraw/zinc/32/50/57/185325057.db2.gz GBJJVBMNBHBJSA-HWKANZROSA-N 0 2 316.288 3.482 20 5 DGBDLN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1c(F)cccc1F ZINC000092546280 185325130 /nfs/dbraw/zinc/32/51/30/185325130.db2.gz NDKSBXYGBVYJDV-QMMMGPOBSA-N 0 2 322.267 3.321 20 5 DGBDLN CC(C)[C@@H]1C[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2O)CCO1 ZINC000272812038 210212327 /nfs/dbraw/zinc/21/23/27/210212327.db2.gz MAPZMLQOLVJOMS-NHYWBVRUSA-N 0 2 322.361 3.080 20 5 DGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC[C@@H]1C1CCCCC1 ZINC000331913360 234269458 /nfs/dbraw/zinc/26/94/58/234269458.db2.gz KVVYBIIUYYQQBS-CQSZACIVSA-N 0 2 318.373 3.485 20 5 DGBDLN CCc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)sc1C ZINC000166195734 432059462 /nfs/dbraw/zinc/05/94/62/432059462.db2.gz NDYKQFVHBQULSL-UHFFFAOYSA-N 0 2 306.343 3.485 20 5 DGBDLN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(Cl)c1O ZINC000427714564 238001622 /nfs/dbraw/zinc/00/16/22/238001622.db2.gz VFNVISWTVSYWRS-UHFFFAOYSA-N 0 2 322.704 3.215 20 5 DGBDLN Cc1ccccc1C1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CC1 ZINC000180777620 432099725 /nfs/dbraw/zinc/09/97/25/432099725.db2.gz GVXCFTYOWKOVAC-UHFFFAOYSA-N 0 2 312.325 3.279 20 5 DGBDLN Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1ccccc1F ZINC000091054667 283997892 /nfs/dbraw/zinc/99/78/92/283997892.db2.gz RCGVOWSSDMQVQK-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN CCc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)sc1C ZINC000127804079 284352407 /nfs/dbraw/zinc/35/24/07/284352407.db2.gz IVIJYTXDQGXTIJ-UHFFFAOYSA-N 0 2 306.343 3.485 20 5 DGBDLN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(OC(F)F)cc1 ZINC000026750380 182452584 /nfs/dbraw/zinc/45/25/84/182452584.db2.gz ZDPYMIKXTGRSPA-UHFFFAOYSA-N 0 2 322.267 3.377 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(OC(F)F)cc1 ZINC000120877690 195255042 /nfs/dbraw/zinc/25/50/42/195255042.db2.gz IKIYCJLGPFDFFK-UHFFFAOYSA-N 0 2 324.239 3.154 20 5 DGBDLN O=C(NCCCCc1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000028843329 400294050 /nfs/dbraw/zinc/29/40/50/400294050.db2.gz SHWJRICLXGGDNM-UHFFFAOYSA-N 0 2 314.341 3.053 20 5 DGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@@H]1c1cccc(F)c1 ZINC000611535438 400418053 /nfs/dbraw/zinc/41/80/53/400418053.db2.gz WDNOPSAPONHNDU-CQSZACIVSA-N 0 2 316.288 3.027 20 5 DGBDLN CCc1ccccc1-n1[nH]c(-c2ccc([N+](=O)[O-])cc2)cc1=O ZINC000603921011 400733198 /nfs/dbraw/zinc/73/31/98/400733198.db2.gz KRPXPCJUDWBFJI-UHFFFAOYSA-N 0 2 309.325 3.298 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCC2(CCCC2)CC1 ZINC000597957180 400704117 /nfs/dbraw/zinc/70/41/17/400704117.db2.gz WDFYJDBCYWIJAI-UHFFFAOYSA-N 0 2 318.373 3.487 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCCC[C@@H]1CC1CCC1 ZINC000598461536 400816703 /nfs/dbraw/zinc/81/67/03/400816703.db2.gz IZIKRUGLDQNXLH-CQSZACIVSA-N 0 2 318.373 3.485 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCCC[C@H]1CC1CCC1 ZINC000598461534 400816919 /nfs/dbraw/zinc/81/69/19/400816919.db2.gz IZIKRUGLDQNXLH-AWEZNQCLSA-N 0 2 318.373 3.485 20 5 DGBDLN Cc1ccnc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1C1CC1 ZINC000598763906 400874445 /nfs/dbraw/zinc/87/44/45/400874445.db2.gz NVXYFWZYHIOJJR-UHFFFAOYSA-N 0 2 313.313 3.134 20 5 DGBDLN O=C(CC1CCC(F)(F)CC1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000599751028 401132781 /nfs/dbraw/zinc/13/27/81/401132781.db2.gz QQDGHJKOLBBLSQ-UHFFFAOYSA-N 0 2 314.288 3.455 20 5 DGBDLN CCS[C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000436867315 286712262 /nfs/dbraw/zinc/71/22/62/286712262.db2.gz CRJDQYKFAWYVBW-CMPLNLGQSA-N 0 2 324.402 3.095 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(C(F)F)c1 ZINC000180775004 164894721 /nfs/dbraw/zinc/89/47/21/164894721.db2.gz RHPZMGLQXASNQY-UHFFFAOYSA-N 0 2 308.240 3.490 20 5 DGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N(CC1CCCCC1)C1CC1 ZINC000181907429 228364836 /nfs/dbraw/zinc/36/48/36/228364836.db2.gz RVTSQJWZELRDBG-UHFFFAOYSA-N 0 2 318.373 3.485 20 5 DGBDLN Cc1cc(CN(C)C(=O)c2cc(O)ccc2[N+](=O)[O-])ccc1F ZINC000355348750 266045973 /nfs/dbraw/zinc/04/59/73/266045973.db2.gz WSGVDUHUUVNOGO-UHFFFAOYSA-N 0 2 318.304 3.020 20 5 DGBDLN CC(C)C[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182101732 279020661 /nfs/dbraw/zinc/02/06/61/279020661.db2.gz WAFBSBAWPXMCMJ-LBPRGKRZSA-N 0 2 306.362 3.341 20 5 DGBDLN CC(C)C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000182105579 279023578 /nfs/dbraw/zinc/02/35/78/279023578.db2.gz FKRRZZIVGJPJIU-LBPRGKRZSA-N 0 2 306.362 3.199 20 5 DGBDLN CC(C)C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000161149135 279209616 /nfs/dbraw/zinc/20/96/16/279209616.db2.gz GFERQRKBLAGUDY-GFCCVEGCSA-N 0 2 306.362 3.199 20 5 DGBDLN Cc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000074364675 431416064 /nfs/dbraw/zinc/41/60/64/431416064.db2.gz RAGVYFIUBHEVCF-NSHDSACASA-N 0 2 300.314 3.100 20 5 DGBDLN CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cccs1 ZINC000114551710 431397572 /nfs/dbraw/zinc/39/75/72/431397572.db2.gz YZTAJTBXADFQHD-UHFFFAOYSA-N 0 2 320.370 3.070 20 5 DGBDLN CC(C)[C@H]1N(C(=O)c2cc([N+](=O)[O-])ccc2O)CC12CCCC2 ZINC000457158434 280468827 /nfs/dbraw/zinc/46/88/27/280468827.db2.gz FUXCQVWKZSIRQJ-OAHLLOKOSA-N 0 2 318.373 3.341 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H]2CCCC[C@H]21 ZINC000120770653 431735496 /nfs/dbraw/zinc/73/54/96/431735496.db2.gz WVHMAWVHEPLSCT-BXUZGUMPSA-N 0 2 304.346 3.095 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N(Cc1cccs1)C1CC1 ZINC000030636278 431742765 /nfs/dbraw/zinc/74/27/65/431742765.db2.gz QLJQZCVSAYOFJZ-UHFFFAOYSA-N 0 2 318.354 3.167 20 5 DGBDLN Cn1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc2ccccc21 ZINC000089541113 431869825 /nfs/dbraw/zinc/86/98/25/431869825.db2.gz GALLGRKUJPHVSK-UHFFFAOYSA-N 0 2 311.297 3.044 20 5 DGBDLN CC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1C ZINC000089944204 431887117 /nfs/dbraw/zinc/88/71/17/431887117.db2.gz UKBVYFCURMLHHJ-UHFFFAOYSA-N 0 2 314.297 3.064 20 5 DGBDLN O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCCc2cc(F)ccc21 ZINC000183431637 432293266 /nfs/dbraw/zinc/29/32/66/432293266.db2.gz AIRQXONJQIVQMI-UHFFFAOYSA-N 0 2 316.288 3.033 20 5 DGBDLN CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CCC(C)(C)CC1 ZINC000153264971 432395582 /nfs/dbraw/zinc/39/55/82/432395582.db2.gz KWSFSXMQBJOVPQ-UHFFFAOYSA-N 0 2 306.362 3.341 20 5 DGBDLN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H]1c1ccccc1 ZINC000184830444 432437681 /nfs/dbraw/zinc/43/76/81/432437681.db2.gz RCDWBFJQWVWBLK-ZBEGNZNMSA-N 0 2 312.325 3.134 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N(CC1CCCCC1)C1CC1 ZINC000184680609 432421603 /nfs/dbraw/zinc/42/16/03/432421603.db2.gz FVZBSQAIUZVKSW-UHFFFAOYSA-N 0 2 318.373 3.485 20 5 DGBDLN Cn1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c2ccccc21 ZINC000175851254 432472434 /nfs/dbraw/zinc/47/24/34/432472434.db2.gz CSAKGLTVPDWANY-UHFFFAOYSA-N 0 2 311.297 3.044 20 5 DGBDLN C[C@@H]1c2ccsc2CCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000272323088 432481893 /nfs/dbraw/zinc/48/18/93/432481893.db2.gz BKEJIUFIZFTLGB-SECBINFHSA-N 0 2 318.354 3.121 20 5 DGBDLN O=C(CCc1ccc(F)cc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000154022434 432464280 /nfs/dbraw/zinc/46/42/80/432464280.db2.gz MSENNRRGPNNYPN-UHFFFAOYSA-N 0 2 304.277 3.011 20 5 DGBDLN Cc1cccc(F)c1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000186508232 432601812 /nfs/dbraw/zinc/60/18/12/432601812.db2.gz RWRULRZAMCLXDI-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN Cc1ccccc1NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189223386 432771201 /nfs/dbraw/zinc/77/12/01/432771201.db2.gz IOMOHPHJACGBKQ-UHFFFAOYSA-N 0 2 320.370 3.321 20 5 DGBDLN O=C(NCc1ccc(Cl)cc1F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000188660999 432737517 /nfs/dbraw/zinc/73/75/17/432737517.db2.gz KUMMOHUDMIMZTB-UHFFFAOYSA-N 0 2 324.695 3.023 20 5 DGBDLN CC(C)(NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1F ZINC000345951210 434019106 /nfs/dbraw/zinc/01/91/06/434019106.db2.gz SJMDYQNXZZSWCP-UHFFFAOYSA-N 0 2 318.304 3.105 20 5 DGBDLN C[C@@H](CCCC(F)(F)F)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436820917 434121856 /nfs/dbraw/zinc/12/18/56/434121856.db2.gz IUTZPCTXSOLDGL-QMMMGPOBSA-N 0 2 320.267 3.151 20 5 DGBDLN O=C(N[C@@H](c1ccccc1)C1CC1)c1ccc([N+](=O)[O-])cc1O ZINC000436860811 434140774 /nfs/dbraw/zinc/14/07/74/434140774.db2.gz HXVRFAVLWLWQOF-INIZCTEOSA-N 0 2 312.325 3.182 20 5 DGBDLN Cn1ccc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)cc21 ZINC000436959736 434184336 /nfs/dbraw/zinc/18/43/36/434184336.db2.gz NWIKNAZKENFOAN-UHFFFAOYSA-N 0 2 311.297 3.044 20 5 DGBDLN CC(C)(NC(=O)c1cc([N+](=O)[O-])ccc1O)c1cccs1 ZINC000436972289 434190545 /nfs/dbraw/zinc/19/05/45/434190545.db2.gz NJIKQUNEHVPABU-UHFFFAOYSA-N 0 2 306.343 3.027 20 5 DGBDLN CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CCCC1 ZINC000513191666 435380565 /nfs/dbraw/zinc/38/05/65/435380565.db2.gz SLFIGLJYIKDBGY-UHFFFAOYSA-N 0 2 306.362 3.247 20 5 DGBDLN CCc1cccc2c1N(C(=O)c1ccc([N+](=O)[O-])cc1O)CC2 ZINC000548121410 435670698 /nfs/dbraw/zinc/67/06/98/435670698.db2.gz AHUWUDKFANFPDU-UHFFFAOYSA-N 0 2 312.325 3.066 20 5 DGBDLN Cc1cc2cc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)ccc2[nH]1 ZINC000164175323 534103136 /nfs/dbraw/zinc/10/31/36/534103136.db2.gz CPYVPSNQFDTESH-UHFFFAOYSA-N 0 2 311.297 3.342 20 5 DGBDLN C[C@H](c1cccs1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184669318 534149239 /nfs/dbraw/zinc/14/92/39/534149239.db2.gz TXNBFEQPEPAFCH-SECBINFHSA-N 0 2 306.343 3.195 20 5 DGBDLN CCCOc1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000160013866 528766827 /nfs/dbraw/zinc/76/68/27/528766827.db2.gz RQLJJUGIZPTHAT-UHFFFAOYSA-N 0 2 316.313 3.342 20 5 DGBDLN CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182128608 528904275 /nfs/dbraw/zinc/90/42/75/528904275.db2.gz FEKSFMTZDDRNED-RISCZKNCSA-N 0 2 306.362 3.341 20 5 DGBDLN O=C(/C=C/c1ccc2[nH]ccc2c1)Nc1cc([N+](=O)[O-])ccc1O ZINC000770859246 622676078 /nfs/dbraw/zinc/67/60/78/622676078.db2.gz WIGBZIUVZCRABS-QHHAFSJGSA-N 0 2 323.308 3.434 20 5 DGBDLN COc1ccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000776200270 623396137 /nfs/dbraw/zinc/39/61/37/623396137.db2.gz SLQYOYCOCUIKTP-UHFFFAOYSA-N 0 2 322.704 3.215 20 5 DGBDLN Cc1nc2cc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)ccc2o1 ZINC000792310233 625935656 /nfs/dbraw/zinc/93/56/56/625935656.db2.gz AVOWAEOQAFGBLR-UHFFFAOYSA-N 0 2 313.269 3.002 20 5 DGBDLN CSc1c(F)cccc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000797980939 626186784 /nfs/dbraw/zinc/18/67/84/626186784.db2.gz XUWXSXAILRJXKP-UHFFFAOYSA-N 0 2 322.317 3.414 20 5 DGBDLN CCCCCc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)n[nH]1 ZINC001447268141 1182185565 /nfs/dbraw/zinc/18/55/65/1182185565.db2.gz PKMHZUMHSVGARD-UHFFFAOYSA-N 0 2 318.333 3.009 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1Cc2ccc(Cl)cc2C1 ZINC001468870094 1183365671 /nfs/dbraw/zinc/36/56/71/1183365671.db2.gz ROLGJHRBDXBYJX-UHFFFAOYSA-N 0 2 318.716 3.110 20 5 DGBDLN CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(Oc2ccccc2)cc1 ZINC001528735984 1187509257 /nfs/dbraw/zinc/50/92/57/1187509257.db2.gz WFTRPQYJWGGIKW-HZPDHXFCSA-N 0 2 312.325 3.107 20 5 DGBDLN CC(C)CC(CC(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001616429414 1193539447 /nfs/dbraw/zinc/53/94/47/1193539447.db2.gz QZNYECWWPPPBDJ-UHFFFAOYSA-N 0 2 308.378 3.491 20 5 DGBDLN O=C(Nc1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])cc1O ZINC001544286503 1188387104 /nfs/dbraw/zinc/38/71/04/1188387104.db2.gz HUVPSRDYYZYVPF-UHFFFAOYSA-N 0 2 310.668 3.345 20 5 DGBDLN CSc1cc(C)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)o1 ZINC001556081449 1188982829 /nfs/dbraw/zinc/98/28/29/1188982829.db2.gz XLEIZFJENUKGDR-UHFFFAOYSA-N 0 2 308.315 3.176 20 5 DGBDLN CCCC[C@@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001565558376 1189655326 /nfs/dbraw/zinc/65/53/26/1189655326.db2.gz XZJYGJVLIQLFSA-BXUZGUMPSA-N 0 2 306.362 3.389 20 5 DGBDLN C[C@@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCc2ccccc21 ZINC001624546537 1194002739 /nfs/dbraw/zinc/00/27/39/1194002739.db2.gz HDEWHZFIYRHRQB-QGZVFWFLSA-N 0 2 312.325 3.143 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc2scnc21 ZINC001632236134 1194378705 /nfs/dbraw/zinc/37/87/05/1194378705.db2.gz ASHOMBJRUZDLLK-UHFFFAOYSA-N 0 2 315.310 3.162 20 5 DGBDLN Cc1ccc([C@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC001633958367 1194466818 /nfs/dbraw/zinc/46/68/18/1194466818.db2.gz AQXXSLFMNFIUNM-GFCCVEGCSA-N 0 2 314.341 3.142 20 5 DGBDLN C[C@H](NC(=O)c1cc(F)c(O)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001644631544 1195121223 /nfs/dbraw/zinc/12/12/23/1195121223.db2.gz PTMIPXLAQRMUDW-QMMMGPOBSA-N 0 2 322.267 3.070 20 5 DGBDLN CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(F)c(C)c1 ZINC001154295572 1088556471 /nfs/dbraw/zinc/55/64/71/1088556471.db2.gz HNSGGNFNVVMRPD-UHFFFAOYSA-N 0 2 318.304 3.415 20 5 DGBDLN O=C(Nc1ccc(-c2ccc(Cl)s2)cn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001128596957 1091071284 /nfs/dbraw/zinc/07/12/84/1091071284.db2.gz YKOXEYUYWYQPLI-RKDXNWHRSA-N 0 2 323.761 3.067 20 5 DGBDLN Cc1ccc(-c2noc(-c3cc(O)ccc3[N+](=O)[O-])n2)cc1F ZINC001216678755 1094247968 /nfs/dbraw/zinc/24/79/68/1094247968.db2.gz UNERDNBLATZZTI-UHFFFAOYSA-N 0 2 315.260 3.465 20 5 DGBDLN O=[N+]([O-])c1cccc(O)c1-c1nc(-c2cc(F)ccc2F)no1 ZINC001216845384 1094269539 /nfs/dbraw/zinc/26/95/39/1094269539.db2.gz MCBMQQDFNLEZHE-UHFFFAOYSA-N 0 2 319.223 3.296 20 5 DGBDLN COc1ccc(OC[C@H](C)Oc2cccc(O)c2[N+](=O)[O-])cc1 ZINC001225619584 1096484912 /nfs/dbraw/zinc/48/49/12/1096484912.db2.gz CYBZDCYXKKDMKE-NSHDSACASA-N 0 2 319.313 3.155 20 5 DGBDLN Cc1ccc(OC[C@H](C)Oc2cccc(O)c2[N+](=O)[O-])cc1 ZINC001225621032 1096486613 /nfs/dbraw/zinc/48/66/13/1096486613.db2.gz ZQBORBZEGPEISY-LBPRGKRZSA-N 0 2 303.314 3.455 20 5 DGBDLN C[C@H](CCc1ccccc1)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228971599 1097229333 /nfs/dbraw/zinc/22/93/33/1097229333.db2.gz QRPKGALGUZMZJD-LLVKDONJSA-N 0 2 303.314 3.406 20 5 DGBDLN Cc1ccccc1OC[C@@H](C)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228975311 1097229809 /nfs/dbraw/zinc/22/98/09/1097229809.db2.gz ZIIUSAXWNVYYCO-LLVKDONJSA-N 0 2 319.313 3.161 20 5 DGBDLN O=C([O-])c1ccc(Nc2ccccc2-n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC001174504576 1097753699 /nfs/dbraw/zinc/75/36/99/1097753699.db2.gz VJUCHXYKTXBVHI-UHFFFAOYSA-N 0 2 324.296 3.222 20 5 DGBDLN O=[N+]([O-])c1ccc(O)cc1-c1nnc(Cc2ccc(F)cc2)o1 ZINC001251931406 1105711907 /nfs/dbraw/zinc/71/19/07/1105711907.db2.gz UUYNGEXJPGQMFE-UHFFFAOYSA-N 0 2 315.260 3.080 20 5 DGBDLN O=[N+]([O-])c1cc(Cc2nnc(-c3cccc(F)c3)o2)ccc1O ZINC001254160231 1106027558 /nfs/dbraw/zinc/02/75/58/1106027558.db2.gz IPNQVFPZLXENGL-UHFFFAOYSA-N 0 2 315.260 3.080 20 5 DGBDLN Cc1ccccc1Cc1nnc(-c2c(O)cccc2[N+](=O)[O-])o1 ZINC001258462972 1106759124 /nfs/dbraw/zinc/75/91/24/1106759124.db2.gz NQVKZEHOUWGBNV-UHFFFAOYSA-N 0 2 311.297 3.250 20 5 DGBDLN O=[N+]([O-])c1cc(Cc2nnc(CC3CCCC3)o2)ccc1O ZINC001258634773 1106873600 /nfs/dbraw/zinc/87/36/00/1106873600.db2.gz IKSOAYABWJNIOW-UHFFFAOYSA-N 0 2 303.318 3.007 20 5 DGBDLN C[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]2CCCC[C@H]12 ZINC000183849371 186224483 /nfs/dbraw/zinc/22/44/83/186224483.db2.gz BESBEKMBQIUTJQ-APHBMKBZSA-N 0 2 302.374 3.174 20 5 DGBDLN C[C@@H](c1ccco1)N(C(=O)c1ccc([N+](=O)[O-])cc1O)C1CC1 ZINC000184690497 199751307 /nfs/dbraw/zinc/75/13/07/199751307.db2.gz FWLPANXKKFDAOO-JTQLQIEISA-N 0 2 316.313 3.259 20 5 DGBDLN Cc1cc(CN(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)ccc1F ZINC000444433724 239288680 /nfs/dbraw/zinc/28/86/80/239288680.db2.gz VPAGSHBFQULRDU-UHFFFAOYSA-N 0 2 318.304 3.020 20 5 DGBDLN O=C(Nc1cccc(Cl)c1O)c1ccc([N+](=O)[O-])cc1F ZINC000077010907 283845188 /nfs/dbraw/zinc/84/51/88/283845188.db2.gz MFZXBJPQXJTALE-UHFFFAOYSA-N 0 2 310.668 3.345 20 5 DGBDLN Cc1ccc([C@H](C)N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000125756868 284283290 /nfs/dbraw/zinc/28/32/90/284283290.db2.gz INJIKQPTMIBWNR-LBPRGKRZSA-N 0 2 314.341 3.442 20 5 DGBDLN CCCOc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000021027666 182262393 /nfs/dbraw/zinc/26/23/93/182262393.db2.gz UDVYRMWHUBNEMF-UHFFFAOYSA-N 0 2 316.313 3.342 20 5 DGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000181842005 432147141 /nfs/dbraw/zinc/14/71/41/432147141.db2.gz ZPGKZEFEOMDZOC-RISCZKNCSA-N 0 2 304.346 3.095 20 5 DGBDLN COc1cc(C)cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1C ZINC000428066018 533644359 /nfs/dbraw/zinc/64/43/59/533644359.db2.gz XWNRUUGKSXCVKT-UHFFFAOYSA-N 0 2 316.313 3.178 20 5 DGBDLN O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000610650047 400284898 /nfs/dbraw/zinc/28/48/98/400284898.db2.gz OOWJVPKUBNQYNF-MBNYWOFBSA-N 0 2 318.373 3.389 20 5 DGBDLN O=C(NC[C@@H]1C[C@H]1C1CCCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000590509895 400391987 /nfs/dbraw/zinc/39/19/87/400391987.db2.gz NGIKQPSZEOJXBE-JSGCOSHPSA-N 0 2 318.373 3.247 20 5 DGBDLN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cc(F)c(O)c(F)c1 ZINC000590549558 400395107 /nfs/dbraw/zinc/39/51/07/400395107.db2.gz JLEWIDXXQIXQSU-UHFFFAOYSA-N 0 2 322.267 3.448 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@@H](C2CCCCC2)C1 ZINC000598152978 400752867 /nfs/dbraw/zinc/75/28/67/400752867.db2.gz KCJFPPYTCWRIAZ-CYBMUJFWSA-N 0 2 318.373 3.343 20 5 DGBDLN C[C@@H]1CC(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000597981015 400711245 /nfs/dbraw/zinc/71/12/45/400711245.db2.gz WZWXTSOTRWIVHH-QWRGUYRKSA-N 0 2 306.362 3.103 20 5 DGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCCC[C@@H]1CC1CCC1 ZINC000598462398 400816730 /nfs/dbraw/zinc/81/67/30/400816730.db2.gz PKZCYTCKCKMASX-CYBMUJFWSA-N 0 2 318.373 3.485 20 5 DGBDLN Cc1ccccc1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000055546872 400876553 /nfs/dbraw/zinc/87/65/53/400876553.db2.gz CPTZPDVBPFHPLJ-UHFFFAOYSA-N 0 2 306.343 3.012 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(C2CCCC2)CC1 ZINC000613978134 400821965 /nfs/dbraw/zinc/82/19/65/400821965.db2.gz ZKNZFUHYDBOBAS-UHFFFAOYSA-N 0 2 318.373 3.343 20 5 DGBDLN O=[N+]([O-])c1ccc(-c2nc(Cc3cccc(F)c3)no2)cc1O ZINC000362587903 286834026 /nfs/dbraw/zinc/83/40/26/286834026.db2.gz KAPIZMQTSPPCRK-UHFFFAOYSA-N 0 2 315.260 3.080 20 5 DGBDLN O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CC2(CCC2)c2ccccc21 ZINC000365149651 287102449 /nfs/dbraw/zinc/10/24/49/287102449.db2.gz YKDOLWPJSWJFKJ-UHFFFAOYSA-N 0 2 324.336 3.383 20 5 DGBDLN O=C(Nc1nccc2sccc21)c1ccc([N+](=O)[O-])c(O)c1 ZINC000129024523 196013076 /nfs/dbraw/zinc/01/30/76/196013076.db2.gz GOOPJENUCLLVJB-UHFFFAOYSA-N 0 2 315.310 3.162 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccn1C1CCCC1 ZINC000182698042 432218998 /nfs/dbraw/zinc/21/89/98/432218998.db2.gz WVCTYKKZCHFWTF-UHFFFAOYSA-N 0 2 315.329 3.469 20 5 DGBDLN CSc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000164044744 228263299 /nfs/dbraw/zinc/26/32/99/228263299.db2.gz WWUJLOBVXAZLTG-UHFFFAOYSA-N 0 2 304.327 3.275 20 5 DGBDLN Cc1nc2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2o1 ZINC000164126013 228264117 /nfs/dbraw/zinc/26/41/17/228264117.db2.gz WYAFZDHKBNUVJS-UHFFFAOYSA-N 0 2 313.269 3.002 20 5 DGBDLN Cn1ccc2ccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)cc21 ZINC000175636612 228303904 /nfs/dbraw/zinc/30/39/04/228303904.db2.gz OGVDDVCJRCCWHJ-UHFFFAOYSA-N 0 2 311.297 3.044 20 5 DGBDLN CC(C)(C)c1csc(NC(=O)c2ccc([N+](=O)[O-])cc2O)n1 ZINC000436884124 278565397 /nfs/dbraw/zinc/56/53/97/278565397.db2.gz JSCCDSADVNZASR-UHFFFAOYSA-N 0 2 321.358 3.307 20 5 DGBDLN O=C(CCCOc1ccccc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000075283373 431466076 /nfs/dbraw/zinc/46/60/76/431466076.db2.gz QKDRZGPDSVRIEP-UHFFFAOYSA-N 0 2 316.313 3.098 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC2(C1)CCCCC2 ZINC000076482214 431552244 /nfs/dbraw/zinc/55/22/44/431552244.db2.gz BFTVZUUFZUHNOY-UHFFFAOYSA-N 0 2 304.346 3.097 20 5 DGBDLN C[C@H](c1cccs1)N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000024237719 431640845 /nfs/dbraw/zinc/64/08/45/431640845.db2.gz VQEVBHPHUZQMIK-SECBINFHSA-N 0 2 306.343 3.195 20 5 DGBDLN Cc1cc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c(C)s1 ZINC000029849538 431729496 /nfs/dbraw/zinc/72/94/96/431729496.db2.gz PKFYZTULCVHWQR-SECBINFHSA-N 0 2 320.370 3.470 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@H]1c1cccs1 ZINC000029797398 431729988 /nfs/dbraw/zinc/72/99/88/431729988.db2.gz ZAKUSAPTMBCRGE-GFCCVEGCSA-N 0 2 318.354 3.339 20 5 DGBDLN C[C@H](Cc1ccccc1F)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000089531327 431869554 /nfs/dbraw/zinc/86/95/54/431869554.db2.gz PFWHJOIZDVGUOR-SNVBAGLBSA-N 0 2 318.304 3.257 20 5 DGBDLN CC(C)(C)C1=CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000270642141 432270086 /nfs/dbraw/zinc/27/00/86/432270086.db2.gz RUROULNRSXDPKC-UHFFFAOYSA-N 0 2 304.346 3.119 20 5 DGBDLN Cc1cc(S(=O)(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)c(C)o1 ZINC000191564790 432277954 /nfs/dbraw/zinc/27/79/54/432277954.db2.gz PYNOVEHCWOQKFV-UHFFFAOYSA-N 0 2 324.358 3.222 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N(CC1CC1)C1CCCCC1 ZINC000183556133 432304013 /nfs/dbraw/zinc/30/40/13/432304013.db2.gz FAHUEEYYNNPWRB-UHFFFAOYSA-N 0 2 318.373 3.485 20 5 DGBDLN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184791025 432433722 /nfs/dbraw/zinc/43/37/22/432433722.db2.gz ZAPOXSGXSYFBAY-SUNKGSAMSA-N 0 2 304.346 3.094 20 5 DGBDLN CCC[C@H](C)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184930764 432446232 /nfs/dbraw/zinc/44/62/32/432446232.db2.gz UNZMMGGMJSBFNL-FZMZJTMJSA-N 0 2 306.362 3.341 20 5 DGBDLN Cc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)cc2o1 ZINC000184632751 432414282 /nfs/dbraw/zinc/41/42/82/432414282.db2.gz RKPGHZFODNXBKH-UHFFFAOYSA-N 0 2 313.269 3.002 20 5 DGBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CCc2ccccc21 ZINC000184626376 432415178 /nfs/dbraw/zinc/41/51/78/432415178.db2.gz NSBOKYLUBQBQMC-HNNXBMFYSA-N 0 2 312.325 3.060 20 5 DGBDLN O=C(Nc1cccc(Cl)c1O)c1ccc(F)cc1[N+](=O)[O-] ZINC000176752827 432549060 /nfs/dbraw/zinc/54/90/60/432549060.db2.gz QUTHFJIUCOTYLQ-UHFFFAOYSA-N 0 2 310.668 3.345 20 5 DGBDLN Cc1ccc(NS(=O)(=O)c2c(C)cccc2F)cc1[N+](=O)[O-] ZINC000186490097 432600133 /nfs/dbraw/zinc/60/01/33/432600133.db2.gz RFJOJNIQERLMAN-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H]1c1ccsc1 ZINC000274660156 432695310 /nfs/dbraw/zinc/69/53/10/432695310.db2.gz FFZNQMHBOJVRRJ-ZDUSSCGKSA-N 0 2 318.354 3.339 20 5 DGBDLN O=C(C[C@@H]1C[C@H]1c1ccccc1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000354622632 433184650 /nfs/dbraw/zinc/18/46/50/433184650.db2.gz ZMQOORWVKLZZJJ-JSGCOSHPSA-N 0 2 312.325 3.433 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(O)c2ccccc2c1 ZINC000350668341 433248748 /nfs/dbraw/zinc/24/87/48/433248748.db2.gz HRRAEPKKKYDSRY-UHFFFAOYSA-N 0 2 324.292 3.412 20 5 DGBDLN Cc1cccc(C2(C(=O)Nc3cc([N+](=O)[O-])ccc3O)CC2)c1 ZINC000356289649 433569529 /nfs/dbraw/zinc/56/95/29/433569529.db2.gz FABZFUMEFOXKOU-UHFFFAOYSA-N 0 2 312.325 3.279 20 5 DGBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2csc3ccccc23)[nH]1 ZINC000352014251 433856324 /nfs/dbraw/zinc/85/63/24/433856324.db2.gz OUJDVZOUVNXTRG-AATRIKPKSA-N 0 2 315.310 3.181 20 5 DGBDLN Cc1cc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2O)c(C)o1 ZINC000436669785 434060347 /nfs/dbraw/zinc/06/03/47/434060347.db2.gz NSOBPLYCIJIOKF-VIFPVBQESA-N 0 2 304.302 3.001 20 5 DGBDLN Cc1cc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3O)ccc2[nH]1 ZINC000436861403 434142472 /nfs/dbraw/zinc/14/24/72/434142472.db2.gz UIOUUZGYTCPLDD-UHFFFAOYSA-N 0 2 311.297 3.342 20 5 DGBDLN CSc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436873614 434148334 /nfs/dbraw/zinc/14/83/34/434148334.db2.gz WRBPSNQCZNAJOQ-UHFFFAOYSA-N 0 2 304.327 3.275 20 5 DGBDLN Cn1ccc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)c21 ZINC000436889280 434150285 /nfs/dbraw/zinc/15/02/85/434150285.db2.gz XCMOJJDLFOOLKZ-UHFFFAOYSA-N 0 2 311.297 3.044 20 5 DGBDLN CC(C)(C)C1=CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000436955496 434182962 /nfs/dbraw/zinc/18/29/62/434182962.db2.gz GPZQZEAJMVAMBK-UHFFFAOYSA-N 0 2 304.346 3.119 20 5 DGBDLN C[C@H]1Cc2ccccc2N(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000436992540 434198335 /nfs/dbraw/zinc/19/83/35/434198335.db2.gz ZQOQMBAQCRNVIO-NSHDSACASA-N 0 2 312.325 3.139 20 5 DGBDLN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c(C)cc1C ZINC000436924740 295001162 /nfs/dbraw/zinc/00/11/62/295001162.db2.gz DYJHQTJXZPSVPV-UHFFFAOYSA-N 0 2 316.313 3.178 20 5 DGBDLN Cc1ccc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc1 ZINC000480729820 435393948 /nfs/dbraw/zinc/39/39/48/435393948.db2.gz SNSTVQRSJRGVAL-UHFFFAOYSA-N 0 2 320.370 3.321 20 5 DGBDLN C[C@H]1Cc2ccccc2N(C(=O)c2ccc(O)c([N+](=O)[O-])c2)C1 ZINC000436959435 300546520 /nfs/dbraw/zinc/54/65/20/300546520.db2.gz HKIODUPQVZMESP-NSHDSACASA-N 0 2 312.325 3.139 20 5 DGBDLN CC(C)CCn1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC000302042887 527884234 /nfs/dbraw/zinc/88/42/34/527884234.db2.gz SDVRTQUARTWUBH-UHFFFAOYSA-N 0 2 319.321 3.489 20 5 DGBDLN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+](Cc2ccoc2)C2CC2)c1 ZINC000903946896 619843873 /nfs/dbraw/zinc/84/38/73/619843873.db2.gz OCSNQQAVZWPVJR-UHFFFAOYSA-N 0 2 316.313 3.051 20 5 DGBDLN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+](Cc2ccoc2)C2CC2)c1 ZINC000903946896 619843875 /nfs/dbraw/zinc/84/38/75/619843875.db2.gz OCSNQQAVZWPVJR-UHFFFAOYSA-N 0 2 316.313 3.051 20 5 DGBDLN Cc1cc2c(cc1C)N(C(=O)c1ccc([N+](=O)[O-])cc1O)CC2 ZINC000804320354 626669027 /nfs/dbraw/zinc/66/90/27/626669027.db2.gz MQSBEJZUQCXQKC-UHFFFAOYSA-N 0 2 312.325 3.120 20 5 DGBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(-c2cc(F)cc(C(F)(F)F)c2)no1 ZINC000817101913 627854915 /nfs/dbraw/zinc/85/49/15/627854915.db2.gz FBJDOKMKKZGQST-RKDXNWHRSA-N 0 2 317.198 3.027 20 5 DGBDLN CC[C@H](C)Oc1ccc(-c2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)cc1 ZINC000842493492 630541398 /nfs/dbraw/zinc/54/13/98/630541398.db2.gz KXOISRYMRCXXCR-ZWKOPEQDSA-N 0 2 303.318 3.047 20 5 DGBDLN C[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])Cc2ccccc21 ZINC000794798328 661105626 /nfs/dbraw/zinc/10/56/26/661105626.db2.gz CHYHMYDAIFQIPB-LLVKDONJSA-N 0 2 312.325 3.060 20 5 DGBDLN O=C(Nc1cccc(Cl)c1O)c1cc(F)ccc1[N+](=O)[O-] ZINC000179721741 659939047 /nfs/dbraw/zinc/93/90/47/659939047.db2.gz FCJVDXHRHWAIJH-UHFFFAOYSA-N 0 2 310.668 3.345 20 5 DGBDLN Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2nc(C(=O)[O-])co2)cc1[N+](=O)[O-] ZINC001600374498 1192839727 /nfs/dbraw/zinc/83/97/27/1192839727.db2.gz YHVIHEKHIDCNSM-ZJUUUORDSA-N 0 2 319.317 3.001 20 5 DGBDLN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1F ZINC001452799297 1182300463 /nfs/dbraw/zinc/30/04/63/1182300463.db2.gz HXQAWVSBKHDXNW-AWEZNQCLSA-N 0 2 318.304 3.321 20 5 DGBDLN CSc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(C)o1 ZINC001466629045 1183215268 /nfs/dbraw/zinc/21/52/68/1183215268.db2.gz OULMGHLXSBURBR-UHFFFAOYSA-N 0 2 308.315 3.176 20 5 DGBDLN O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1O ZINC001540485498 1188241536 /nfs/dbraw/zinc/24/15/36/1188241536.db2.gz LAMCJLQTXUYIDL-JHJVBQTASA-N 0 2 318.373 3.389 20 5 DGBDLN C[C@H](CSC(F)(F)F)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001556080561 1188982641 /nfs/dbraw/zinc/98/26/41/1188982641.db2.gz KCYQVESSQCHWLG-ZCFIWIBFSA-N 0 2 324.280 3.128 20 5 DGBDLN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cc(F)cc(F)c1O ZINC001569997492 1190779959 /nfs/dbraw/zinc/77/99/59/1190779959.db2.gz UABUIEXOZFJDRL-UHFFFAOYSA-N 0 2 322.267 3.448 20 5 DGBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H](C)c1ccccc1 ZINC001629230057 1194220935 /nfs/dbraw/zinc/22/09/35/1194220935.db2.gz BOEJCSWSOUMFAQ-VXGBXAGGSA-N 0 2 314.341 3.222 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc2c(o1)CCCC2 ZINC001633355865 1194433282 /nfs/dbraw/zinc/43/32/82/1194433282.db2.gz OCDPIGCFGAMCSB-UHFFFAOYSA-N 0 2 302.286 3.025 20 5 DGBDLN Cc1ccc(-c2noc(-c3c(O)cccc3[N+](=O)[O-])n2)c(F)c1 ZINC001216845457 1094269139 /nfs/dbraw/zinc/26/91/39/1094269139.db2.gz PBUBRFDKRPLBQC-UHFFFAOYSA-N 0 2 315.260 3.465 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@@H]1c1ccc(F)cc1 ZINC001146530357 1096057571 /nfs/dbraw/zinc/05/75/71/1096057571.db2.gz QYVISZCBUZLYDI-CQSZACIVSA-N 0 2 316.288 3.027 20 5 DGBDLN Cc1ccccc1OC[C@H](C)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225620382 1096486246 /nfs/dbraw/zinc/48/62/46/1096486246.db2.gz PGUYSAHUGJELGW-LBPRGKRZSA-N 0 2 303.314 3.455 20 5 DGBDLN CSc1nc(O[C@@H](C)c2ccc(C)cc2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227627932 1096964464 /nfs/dbraw/zinc/96/44/64/1096964464.db2.gz KOPLEYXZPFRUAT-VIFPVBQESA-N 0 2 321.358 3.261 20 5 DGBDLN Cc1ccc2c(c1)CC[C@H]2Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228969004 1097229155 /nfs/dbraw/zinc/22/91/55/1097229155.db2.gz WHYCDYSSXCQOBF-CQSZACIVSA-N 0 2 301.298 3.381 20 5 DGBDLN C[C@@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001228971939 1097229846 /nfs/dbraw/zinc/22/98/46/1097229846.db2.gz SZCWWJOQRIPAHF-MRVPVSSYSA-N 0 2 320.257 3.054 20 5 DGBDLN COc1cccc([C@H](C)Oc2cc(O)cc(O)c2[N+](=O)[O-])c1 ZINC001228972530 1097230185 /nfs/dbraw/zinc/23/01/85/1097230185.db2.gz XQUONGSMGVJQFT-VIFPVBQESA-N 0 2 305.286 3.155 20 5 DGBDLN C[C@@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC001228971834 1097230284 /nfs/dbraw/zinc/23/02/84/1097230284.db2.gz SBWVPIAACZMHHA-SSDOTTSWSA-N 0 2 311.240 3.424 20 5 DGBDLN CCc1ccc(C)[nH+]c1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174502205 1097752130 /nfs/dbraw/zinc/75/21/30/1097752130.db2.gz IUJDHAAPLUARFZ-UHFFFAOYSA-N 0 2 301.302 3.302 20 5 DGBDLN Cc1n[nH]c(SCc2cc([N+](=O)[O-])ccc2C(F)(F)F)n1 ZINC001326233695 1103242659 /nfs/dbraw/zinc/24/26/59/1103242659.db2.gz AZVKGKKWSSXGGJ-UHFFFAOYSA-N 0 2 318.280 3.332 20 5 DGBDLN O=[N+]([O-])c1cc(Cc2nc(-c3ccccc3F)no2)ccc1O ZINC001247988312 1105028474 /nfs/dbraw/zinc/02/84/74/1105028474.db2.gz LBJDORJNAGQERZ-UHFFFAOYSA-N 0 2 315.260 3.080 20 5 DGBDLN O=[N+]([O-])c1ccc(O)cc1-c1nc2c(ccc3ncccc23)[nH]1 ZINC001250852660 1105593955 /nfs/dbraw/zinc/59/39/55/1105593955.db2.gz FLWXOTJNQUVSGZ-UHFFFAOYSA-N 0 2 306.281 3.392 20 5 DGBDLN Cn1c2ccc3ncccc3c2nc1-c1cc(O)ccc1[N+](=O)[O-] ZINC001250854377 1105593971 /nfs/dbraw/zinc/59/39/71/1105593971.db2.gz RWSCNLSIKHTBOH-UHFFFAOYSA-N 0 2 320.308 3.402 20 5 DGBDLN COc1cccc(-c2nnc(-c3cc(O)ccc3[N+](=O)[O-])o2)c1 ZINC001253349694 1105925977 /nfs/dbraw/zinc/92/59/77/1105925977.db2.gz CJPDGBXJOXRESA-UHFFFAOYSA-N 0 2 313.269 3.026 20 5 DGBDLN CC[C@@H]1c2ccccc2CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC001304736958 1111180749 /nfs/dbraw/zinc/18/07/49/1111180749.db2.gz CXRHGLWHEWIKAW-OAHLLOKOSA-N 0 2 312.325 3.408 20 5 DGBDLN C[C@H](Cc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546171 185325163 /nfs/dbraw/zinc/32/51/63/185325163.db2.gz LLDQDDHDWYIZNN-LLVKDONJSA-N 0 2 300.314 3.118 20 5 DGBDLN C[C@@H](N=c1nc(C(C)(C)C)[nH]s1)c1ccccc1[N+](=O)[O-] ZINC000477763021 296031782 /nfs/dbraw/zinc/03/17/82/296031782.db2.gz VBDWDAKFNYOSEV-SECBINFHSA-N 0 2 306.391 3.339 20 5 DGBDLN Cc1cccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000120192068 284163043 /nfs/dbraw/zinc/16/30/43/284163043.db2.gz WRGWTNAMWODTIN-UHFFFAOYSA-N 0 2 300.314 3.180 20 5 DGBDLN Cc1ccc(C[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000489153267 245276060 /nfs/dbraw/zinc/27/60/60/245276060.db2.gz MHHNMKXGEVKLBI-LBPRGKRZSA-N 0 2 314.341 3.426 20 5 DGBDLN Cc1ccc(O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000021028308 182262221 /nfs/dbraw/zinc/26/22/21/182262221.db2.gz ZKGZSSIQJOTYID-LLVKDONJSA-N 0 2 316.313 3.015 20 5 DGBDLN O=C(Cc1cccc(C(F)F)c1)Nc1cc([N+](=O)[O-])ccc1O ZINC000344531135 254280183 /nfs/dbraw/zinc/28/01/83/254280183.db2.gz BUGNKFPSDCNLNG-UHFFFAOYSA-N 0 2 322.267 3.419 20 5 DGBDLN Cc1cccc([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000092545926 400180418 /nfs/dbraw/zinc/18/04/18/400180418.db2.gz ZJFKAVDPBLXDHY-NSHDSACASA-N 0 2 300.314 3.351 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@@H]1c1cccc(F)c1 ZINC000610358720 400249740 /nfs/dbraw/zinc/24/97/40/400249740.db2.gz HCMXZHYAGJBSMP-CYBMUJFWSA-N 0 2 316.288 3.027 20 5 DGBDLN CN(Cc1nc(=O)c2sccc2[nH]1)c1ccsc1[N+](=O)[O-] ZINC000589558457 400304826 /nfs/dbraw/zinc/30/48/26/400304826.db2.gz HHIVPJOACRXIIQ-UHFFFAOYSA-N 0 2 322.371 3.003 20 5 DGBDLN CSCc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000109700728 400354345 /nfs/dbraw/zinc/35/43/45/400354345.db2.gz HUVPOVKZEFVAPV-UHFFFAOYSA-N 0 2 318.354 3.416 20 5 DGBDLN Cc1sc(NC(=O)c2cccc(O)c2[N+](=O)[O-])nc1C(C)C ZINC000597895378 400689951 /nfs/dbraw/zinc/68/99/51/400689951.db2.gz WTKYGWPMLNDNAE-UHFFFAOYSA-N 0 2 321.358 3.441 20 5 DGBDLN C[C@H]1C[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC[N@@H+]1C ZINC000599051690 400939302 /nfs/dbraw/zinc/93/93/02/400939302.db2.gz WAVUAUSDNUWFDH-AAEUAGOBSA-N 0 2 300.362 3.038 20 5 DGBDLN CCN(Cc1cccc(F)c1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000070898667 431264703 /nfs/dbraw/zinc/26/47/03/431264703.db2.gz MGPJHAZBIBSIOK-UHFFFAOYSA-N 0 2 318.304 3.102 20 5 DGBDLN CCSc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)ccn1 ZINC000089531000 431869613 /nfs/dbraw/zinc/86/96/13/431869613.db2.gz GUGJVVJFBNSBLO-UHFFFAOYSA-N 0 2 319.342 3.060 20 5 DGBDLN C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000271353481 432379639 /nfs/dbraw/zinc/37/96/39/432379639.db2.gz YUSOYPDUHVAJPW-CKEIUWERSA-N 0 2 314.389 3.435 20 5 DGBDLN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@@H]1c1ccccc1 ZINC000175186549 432408950 /nfs/dbraw/zinc/40/89/50/432408950.db2.gz QXWPXFYAIJGJJG-ZBEGNZNMSA-N 0 2 312.325 3.134 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H]1C1CCCC1 ZINC000184685050 432421551 /nfs/dbraw/zinc/42/15/51/432421551.db2.gz PLDJQFZKCOFTPF-AWEZNQCLSA-N 0 2 304.346 3.095 20 5 DGBDLN CC(C)N(Cc1cccs1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000272444939 432502604 /nfs/dbraw/zinc/50/26/04/432502604.db2.gz VDXVCRBAEKNHRL-UHFFFAOYSA-N 0 2 320.370 3.413 20 5 DGBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000189224103 432771847 /nfs/dbraw/zinc/77/18/47/432771847.db2.gz OEVNEAURHTVEFJ-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCc2cc(Cl)ccc21 ZINC000436558785 434009702 /nfs/dbraw/zinc/00/97/02/434009702.db2.gz ZCBBSGFXOAEPQW-UHFFFAOYSA-N 0 2 318.716 3.157 20 5 DGBDLN CC[C@H](CC(F)(F)F)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000402619545 293870814 /nfs/dbraw/zinc/87/08/14/293870814.db2.gz JCGHXJIHXSRFHE-SSDOTTSWSA-N 0 2 306.240 3.218 20 5 DGBDLN CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1cccs1 ZINC000436673448 434062228 /nfs/dbraw/zinc/06/22/28/434062228.db2.gz OPPYKTBEBKONSF-NSHDSACASA-N 0 2 306.343 3.243 20 5 DGBDLN Cc1cc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2O)c(C)o1 ZINC000436669784 434060551 /nfs/dbraw/zinc/06/05/51/434060551.db2.gz NSOBPLYCIJIOKF-SECBINFHSA-N 0 2 304.302 3.001 20 5 DGBDLN CCc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436944440 434177024 /nfs/dbraw/zinc/17/70/24/434177024.db2.gz QCFOWUPVGYZLNT-UHFFFAOYSA-N 0 2 314.341 3.135 20 5 DGBDLN O=C(Nc1ccc2ccccc2n1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436955678 434182183 /nfs/dbraw/zinc/18/21/83/434182183.db2.gz HZGLYNOYDAGMCM-UHFFFAOYSA-N 0 2 309.281 3.101 20 5 DGBDLN CC(C)CN(C(=O)c1ccc([N+](=O)[O-])cc1O)C1CCCC1 ZINC000436962406 434183999 /nfs/dbraw/zinc/18/39/99/434183999.db2.gz JIXLCYZJGXFLHX-UHFFFAOYSA-N 0 2 306.362 3.341 20 5 DGBDLN O=C(N[C@H](c1cccs1)C1CC1)c1ccc([N+](=O)[O-])cc1O ZINC000436951054 434184253 /nfs/dbraw/zinc/18/42/53/434184253.db2.gz PBOJLJUZFCUFCY-AWEZNQCLSA-N 0 2 318.354 3.243 20 5 DGBDLN CC(C)c1cccnc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436975090 434188215 /nfs/dbraw/zinc/18/82/15/434188215.db2.gz GOLYNOLFVLEDQD-UHFFFAOYSA-N 0 2 301.302 3.071 20 5 DGBDLN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccccc1F ZINC000319501526 434224528 /nfs/dbraw/zinc/22/45/28/434224528.db2.gz GKOOAQSOOGCLCY-UHFFFAOYSA-N 0 2 324.333 3.097 20 5 DGBDLN CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)CC(F)(F)F ZINC000402472591 434503144 /nfs/dbraw/zinc/50/31/44/434503144.db2.gz JEVQZZRTRDOPEN-QMMMGPOBSA-N 0 2 320.267 3.009 20 5 DGBDLN O=[N+]([O-])c1ccc(-c2nc(C3Cc4ccccc4C3)no2)cc1O ZINC000519804917 435709397 /nfs/dbraw/zinc/70/93/97/435709397.db2.gz CFQMMCWOZQCXQT-UHFFFAOYSA-N 0 2 323.308 3.233 20 5 DGBDLN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc(C)c1F ZINC000092549782 301150286 /nfs/dbraw/zinc/15/02/86/301150286.db2.gz ZIFMIMKKZHTYIF-UHFFFAOYSA-N 0 2 304.277 3.309 20 5 DGBDLN CC(C)(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C(F)(F)F ZINC000548124652 314423636 /nfs/dbraw/zinc/42/36/36/314423636.db2.gz MYGDIHFDXOBNSV-LLVKDONJSA-N 0 2 320.267 3.007 20 5 DGBDLN Cc1ccccc1NCCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000356288325 534824272 /nfs/dbraw/zinc/82/42/72/534824272.db2.gz AUWOAUGNKMMXHR-UHFFFAOYSA-N 0 2 315.329 3.050 20 5 DGBDLN CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)CC(F)(F)F ZINC000412627666 529358764 /nfs/dbraw/zinc/35/87/64/529358764.db2.gz AQKWCGNXXQLESV-QMMMGPOBSA-N 0 2 320.267 3.009 20 5 DGBDLN C[C@H](OC(=O)c1[nH]nc2c1CCCC2)c1ccccc1[N+](=O)[O-] ZINC000749052312 575623681 /nfs/dbraw/zinc/62/36/81/575623681.db2.gz BLHUPVGIXGNBPG-JTQLQIEISA-N 0 2 315.329 3.115 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC=CC12CCCCC2 ZINC000912474763 620390140 /nfs/dbraw/zinc/39/01/40/620390140.db2.gz SBHMAKZXVUHZDT-UHFFFAOYSA-N 0 2 302.330 3.015 20 5 DGBDLN Cc1ccc(N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)cc1C ZINC000772296366 622881748 /nfs/dbraw/zinc/88/17/48/622881748.db2.gz GIVWGUSTQBYWJI-UHFFFAOYSA-N 0 2 300.314 3.194 20 5 DGBDLN C[C@H](OC(=O)c1cc(F)c(O)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000783959605 624413625 /nfs/dbraw/zinc/41/36/25/624413625.db2.gz NCHIXBQLVQMQPO-QMMMGPOBSA-N 0 2 323.251 3.497 20 5 DGBDLN Cc1c(CNC(=O)c2cccc(Cl)c2O)cccc1[N+](=O)[O-] ZINC000791016182 625738164 /nfs/dbraw/zinc/73/81/64/625738164.db2.gz NCBPUMKEFGPGTE-UHFFFAOYSA-N 0 2 320.732 3.192 20 5 DGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cc(F)ccc1Cl ZINC000816055018 627732052 /nfs/dbraw/zinc/73/20/52/627732052.db2.gz VIFCAUKEFRJWIY-UHFFFAOYSA-N 0 2 310.668 3.345 20 5 DGBDLN C[C@@]1(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)CC1(Cl)Cl ZINC000827797747 628992430 /nfs/dbraw/zinc/99/24/30/628992430.db2.gz HNKOMCAGMRVQLI-LLVKDONJSA-N 0 2 319.144 3.213 20 5 DGBDLN C[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])Cc2ccccc21 ZINC000794798330 661105629 /nfs/dbraw/zinc/10/56/29/661105629.db2.gz CHYHMYDAIFQIPB-NSHDSACASA-N 0 2 312.325 3.060 20 5 DGBDLN O=C(C[C@@H]1CCCC1(F)F)Nc1cc([N+](=O)[O-])ccc1O ZINC000935102960 661760495 /nfs/dbraw/zinc/76/04/95/661760495.db2.gz JRNFQAAYYIYPEV-QMMMGPOBSA-N 0 2 300.261 3.064 20 5 DGBDLN Cc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)oc1C(=O)[O-] ZINC001600209185 1192808051 /nfs/dbraw/zinc/80/80/51/1192808051.db2.gz DFWSMFVCQPXQQA-UHFFFAOYSA-N 0 2 324.720 3.138 20 5 DGBDLN Cc1ccc(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)[nH+]c1C(=O)[O-] ZINC001600464097 1192858131 /nfs/dbraw/zinc/85/81/31/1192858131.db2.gz VUIZAKJWIYBEQO-JTQLQIEISA-N 0 2 301.302 3.170 20 5 DGBDLN CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC001464656507 1183105952 /nfs/dbraw/zinc/10/59/52/1183105952.db2.gz PNYGHQPSDQSVPJ-GFCCVEGCSA-N 0 2 314.341 3.224 20 5 DGBDLN O=C(Nc1cc(F)cc(Cl)c1)c1ccc([N+](=O)[O-])cc1O ZINC001466036245 1183184055 /nfs/dbraw/zinc/18/40/55/1183184055.db2.gz WPKRTEGJFHFQAB-UHFFFAOYSA-N 0 2 310.668 3.345 20 5 DGBDLN C[N@H+](Cc1ccc(C(=O)[O-])cc1F)Cc1ccccc1[N+](=O)[O-] ZINC001610121130 1193377885 /nfs/dbraw/zinc/37/78/85/1193377885.db2.gz PVLODQHSKFZDOF-UHFFFAOYSA-N 0 2 318.304 3.064 20 5 DGBDLN C[N@@H+](Cc1ccc(C(=O)[O-])cc1F)Cc1ccccc1[N+](=O)[O-] ZINC001610121130 1193377887 /nfs/dbraw/zinc/37/78/87/1193377887.db2.gz PVLODQHSKFZDOF-UHFFFAOYSA-N 0 2 318.304 3.064 20 5 DGBDLN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NOc1ccccc1F ZINC001558228312 1189111540 /nfs/dbraw/zinc/11/15/40/1189111540.db2.gz XBJIFPREPCROMV-UHFFFAOYSA-N 0 2 324.695 3.040 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1nccc2ccsc21 ZINC001633349401 1194433185 /nfs/dbraw/zinc/43/31/85/1194433185.db2.gz FEXDFZZPVXQUOU-UHFFFAOYSA-N 0 2 315.310 3.162 20 5 DGBDLN O=C(NCC1(C2CCC2)CCC1)c1ccc([N+](=O)[O-])cc1O ZINC001637459489 1194670943 /nfs/dbraw/zinc/67/09/43/1194670943.db2.gz RESTXBVHICRRFA-UHFFFAOYSA-N 0 2 304.346 3.001 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1nsc2ccccc21 ZINC001637881772 1194692165 /nfs/dbraw/zinc/69/21/65/1194692165.db2.gz RJQISQCNHLWUNA-UHFFFAOYSA-N 0 2 315.310 3.162 20 5 DGBDLN CC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)ccc1C ZINC001639244211 1194757221 /nfs/dbraw/zinc/75/72/21/1194757221.db2.gz LKAAKCWBCHHMAS-UHFFFAOYSA-N 0 2 314.297 3.064 20 5 DGBDLN O=C(NC1(c2ccccc2)CCC1)c1ccc([N+](=O)[O-])cc1O ZINC001141506281 1092261766 /nfs/dbraw/zinc/26/17/66/1092261766.db2.gz WWTLDXCHKOQASA-UHFFFAOYSA-N 0 2 312.325 3.110 20 5 DGBDLN COc1ccc(-c2noc(-c3c(O)cccc3[N+](=O)[O-])n2)cc1 ZINC001216845359 1094269517 /nfs/dbraw/zinc/26/95/17/1094269517.db2.gz KPPXHJZTPNUSGG-UHFFFAOYSA-N 0 2 313.269 3.026 20 5 DGBDLN COc1ccccc1OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O ZINC001135975195 1094780045 /nfs/dbraw/zinc/78/00/45/1094780045.db2.gz GZWMSKGGJYRFDT-UHFFFAOYSA-N 0 2 323.688 3.182 20 5 DGBDLN O=C(NCc1cccc(C(F)F)c1)c1ccc([N+](=O)[O-])cc1O ZINC001338552149 1095334116 /nfs/dbraw/zinc/33/41/16/1095334116.db2.gz ZKYSDXVETBAURE-UHFFFAOYSA-N 0 2 322.267 3.168 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@H]1c1ccc(F)cc1 ZINC001146530356 1096056646 /nfs/dbraw/zinc/05/66/46/1096056646.db2.gz QYVISZCBUZLYDI-AWEZNQCLSA-N 0 2 316.288 3.027 20 5 DGBDLN COc1ccc(OC)c([C@@H](C)Oc2cccc(O)c2[N+](=O)[O-])c1 ZINC001225619910 1096484754 /nfs/dbraw/zinc/48/47/54/1096484754.db2.gz KIWJLYRIZFSCFY-SNVBAGLBSA-N 0 2 319.313 3.458 20 5 DGBDLN CSc1nc(O[C@H](C)CCC=C(C)C)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227624946 1096962951 /nfs/dbraw/zinc/96/29/51/1096962951.db2.gz KNFWWYZCQNGVSU-SECBINFHSA-N 0 2 313.379 3.326 20 5 DGBDLN COc1ccc([C@@H](C)Oc2cc(O)cc(O)c2[N+](=O)[O-])cc1 ZINC001228971246 1097229304 /nfs/dbraw/zinc/22/93/04/1097229304.db2.gz MPYPYHMQOBOQEU-SECBINFHSA-N 0 2 305.286 3.155 20 5 DGBDLN O=C1CC[C@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])c2ccccc21 ZINC001228971903 1097230209 /nfs/dbraw/zinc/23/02/09/1097230209.db2.gz SPOVFOQGTPCFFB-AWEZNQCLSA-N 0 2 315.281 3.103 20 5 DGBDLN CCCSc1nc(O[C@@H](C)C(C)C)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229792963 1097387473 /nfs/dbraw/zinc/38/74/73/1097387473.db2.gz VLYRIDLXQYQDCQ-QMMMGPOBSA-N 0 2 301.368 3.016 20 5 DGBDLN CCCSc1nc(O[C@@H](C)CCC)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229790742 1097387611 /nfs/dbraw/zinc/38/76/11/1097387611.db2.gz CRXGPDDLPBKIEJ-QMMMGPOBSA-N 0 2 301.368 3.160 20 5 DGBDLN CC[N@H+](C)c1ccc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1 ZINC001174505715 1097754871 /nfs/dbraw/zinc/75/48/71/1097754871.db2.gz JWVQEYMQTVJTTC-UHFFFAOYSA-N 0 2 315.329 3.493 20 5 DGBDLN CC[N@@H+](C)c1ccc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1 ZINC001174505715 1097754876 /nfs/dbraw/zinc/75/48/76/1097754876.db2.gz JWVQEYMQTVJTTC-UHFFFAOYSA-N 0 2 315.329 3.493 20 5 DGBDLN O=C([O-])Cn1cc(Nc2ccc3[nH+]c4ccccc4cc3c2)cn1 ZINC001176271772 1098311478 /nfs/dbraw/zinc/31/14/78/1098311478.db2.gz XTNSZKRKWJLMHB-UHFFFAOYSA-N 0 2 318.336 3.413 20 5 DGBDLN CCCCCCc1nnc(Cc2ccc(O)c([N+](=O)[O-])c2)o1 ZINC001256347722 1106407712 /nfs/dbraw/zinc/40/77/12/1106407712.db2.gz ICCIAJJFASWPMK-UHFFFAOYSA-N 0 2 305.334 3.397 20 5 DGBDLN CC[C@H]1c2ccccc2CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC001304736955 1111180828 /nfs/dbraw/zinc/18/08/28/1111180828.db2.gz CXRHGLWHEWIKAW-HNNXBMFYSA-N 0 2 312.325 3.408 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000180766564 303998852 /nfs/dbraw/zinc/99/88/52/303998852.db2.gz FILHIWMOMYVSOK-KBXCAEBGSA-N 0 2 324.336 3.143 20 5 DGBDLN Cc1cc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2O)ccc1F ZINC000444427009 239288083 /nfs/dbraw/zinc/28/80/83/239288083.db2.gz YBAKQVVQPMJSQQ-UHFFFAOYSA-N 0 2 318.304 3.020 20 5 DGBDLN Cc1cccc(N(C)Cc2ccc([S@](C)=O)cc2)c1[N+](=O)[O-] ZINC000275385113 212302891 /nfs/dbraw/zinc/30/28/91/212302891.db2.gz BVJKHHPEHBBNKL-QFIPXVFZSA-N 0 2 318.398 3.277 20 5 DGBDLN CCC(=O)c1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000119293045 284140009 /nfs/dbraw/zinc/14/00/09/284140009.db2.gz BOYPJKCALIHOSZ-UHFFFAOYSA-N 0 2 314.297 3.145 20 5 DGBDLN CCCCC[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000489291505 245289571 /nfs/dbraw/zinc/28/95/71/245289571.db2.gz CJKXOBLNEJKQCV-ZDUSSCGKSA-N 0 2 306.362 3.485 20 5 DGBDLN C[C@H](Sc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000127802596 284351957 /nfs/dbraw/zinc/35/19/57/284351957.db2.gz WVNZDZWVEAPBMW-JTQLQIEISA-N 0 2 318.354 3.420 20 5 DGBDLN Cc1ccc(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000021028318 182262307 /nfs/dbraw/zinc/26/23/07/182262307.db2.gz ZKGZSSIQJOTYID-NSHDSACASA-N 0 2 316.313 3.015 20 5 DGBDLN CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000021027682 182262492 /nfs/dbraw/zinc/26/24/92/182262492.db2.gz YXOOUGNTULRDJV-CYBMUJFWSA-N 0 2 300.314 3.433 20 5 DGBDLN CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000344071448 254220462 /nfs/dbraw/zinc/22/04/62/254220462.db2.gz WRTUSRCSHXEFES-NHYWBVRUSA-N 0 2 322.361 3.224 20 5 DGBDLN Cc1ccc2c(c1)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)CC2 ZINC000609321774 400159766 /nfs/dbraw/zinc/15/97/66/400159766.db2.gz WKUSHNCXDBSOBV-CQSZACIVSA-N 0 2 312.325 3.026 20 5 DGBDLN O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000610650050 400284351 /nfs/dbraw/zinc/28/43/51/400284351.db2.gz OOWJVPKUBNQYNF-YRGRVCCFSA-N 0 2 318.373 3.389 20 5 DGBDLN CN(Cc1nc(=O)c2sccc2[nH]1)c1ccc([N+](=O)[O-])s1 ZINC000589558436 400305265 /nfs/dbraw/zinc/30/52/65/400305265.db2.gz FUXNICILUGHBCJ-UHFFFAOYSA-N 0 2 322.371 3.003 20 5 DGBDLN Cc1ccc([C@H](C)CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000132180068 400556834 /nfs/dbraw/zinc/55/68/34/400556834.db2.gz LMFUORURNDJANU-GFCCVEGCSA-N 0 2 314.341 3.142 20 5 DGBDLN CCc1ccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000603970204 400738659 /nfs/dbraw/zinc/73/86/59/400738659.db2.gz PNRRXNTZCWRXJY-UHFFFAOYSA-N 0 2 320.370 3.266 20 5 DGBDLN Cc1cc(C)cc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000603970209 400739018 /nfs/dbraw/zinc/73/90/18/400739018.db2.gz PZXGVMJOGPAHBA-UHFFFAOYSA-N 0 2 320.370 3.321 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCCCc2sccc21 ZINC000619557571 400866203 /nfs/dbraw/zinc/86/62/03/400866203.db2.gz JVUCROKVDMBGFT-UHFFFAOYSA-N 0 2 318.354 3.345 20 5 DGBDLN C[C@@H]1C[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC[N@@H+]1C ZINC000599051693 400940306 /nfs/dbraw/zinc/94/03/06/400940306.db2.gz WAVUAUSDNUWFDH-YPMHNXCESA-N 0 2 300.362 3.038 20 5 DGBDLN CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c(C)c1 ZINC000080444916 400953790 /nfs/dbraw/zinc/95/37/90/400953790.db2.gz RLQRMOYYCCMLEH-UHFFFAOYSA-N 0 2 316.313 3.260 20 5 DGBDLN CCS[C@@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000174912002 286711321 /nfs/dbraw/zinc/71/13/21/286711321.db2.gz YYIDXNMQUKAKPV-VXGBXAGGSA-N 0 2 324.402 3.095 20 5 DGBDLN CCNc1cc(C)ccc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000191355989 165246488 /nfs/dbraw/zinc/24/64/88/165246488.db2.gz YQWXKCYIZTWCKU-UHFFFAOYSA-N 0 2 315.329 3.293 20 5 DGBDLN C[C@@H](c1cccs1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179435546 228350940 /nfs/dbraw/zinc/35/09/40/228350940.db2.gz URQACYKPWCNYGE-VIFPVBQESA-N 0 2 306.343 3.195 20 5 DGBDLN C[C@@H]1c2ccccc2CCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000181988546 228364693 /nfs/dbraw/zinc/36/46/93/228364693.db2.gz RELAHAIWAHBRGL-LLVKDONJSA-N 0 2 312.325 3.060 20 5 DGBDLN O=C(Nc1ccccc1OC(F)F)c1ccc(O)c([N+](=O)[O-])c1 ZINC000183347496 228372854 /nfs/dbraw/zinc/37/28/54/228372854.db2.gz REJKFTDTRFICMC-UHFFFAOYSA-N 0 2 324.239 3.154 20 5 DGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@@H]1C1CCCCC1 ZINC000179439757 304503989 /nfs/dbraw/zinc/50/39/89/304503989.db2.gz DPKWJUJIFZICBM-OAHLLOKOSA-N 0 2 318.373 3.485 20 5 DGBDLN Cn1ccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1C1CCC1 ZINC000346333998 264012937 /nfs/dbraw/zinc/01/29/37/264012937.db2.gz WZOWUDREUFQAJI-UHFFFAOYSA-N 0 2 315.329 3.159 20 5 DGBDLN CC(C)[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)c1ccncc1 ZINC000355886059 266219333 /nfs/dbraw/zinc/21/93/33/266219333.db2.gz VUMVTVODCCFWSD-HNNXBMFYSA-N 0 2 315.329 3.074 20 5 DGBDLN CCS[C@@H]1CCCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000112118080 431249589 /nfs/dbraw/zinc/24/95/89/431249589.db2.gz JHELNDGDZQWKGG-GFCCVEGCSA-N 0 2 324.402 3.048 20 5 DGBDLN C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184791069 432433235 /nfs/dbraw/zinc/43/32/35/432433235.db2.gz ZAPOXSGXSYFBAY-GYSYKLTISA-N 0 2 304.346 3.094 20 5 DGBDLN CN(Cc1cccc(Cl)c1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184595004 432409883 /nfs/dbraw/zinc/40/98/83/432409883.db2.gz QXAHJRLLFVSYJA-UHFFFAOYSA-N 0 2 320.732 3.226 20 5 DGBDLN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c2ccccc2n1 ZINC000194053713 432520262 /nfs/dbraw/zinc/52/02/62/432520262.db2.gz OONVVYKEYMUNNS-UHFFFAOYSA-N 0 2 323.308 3.409 20 5 DGBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccccc2)c1C ZINC000160861853 432746595 /nfs/dbraw/zinc/74/65/95/432746595.db2.gz WAWNBGFPNRIROV-UHFFFAOYSA-N 0 2 306.343 3.012 20 5 DGBDLN O=C(C[C@H]1C[C@@H]1c1ccccc1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000354622636 433184089 /nfs/dbraw/zinc/18/40/89/433184089.db2.gz ZMQOORWVKLZZJJ-TZMCWYRMSA-N 0 2 312.325 3.433 20 5 DGBDLN Cc1ccsc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000342433135 433689826 /nfs/dbraw/zinc/68/98/26/433689826.db2.gz QAGYOMGPYRFGFU-UHFFFAOYSA-N 0 2 312.372 3.074 20 5 DGBDLN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1cccs1 ZINC000436673447 434059309 /nfs/dbraw/zinc/05/93/09/434059309.db2.gz OPPYKTBEBKONSF-LLVKDONJSA-N 0 2 306.343 3.243 20 5 DGBDLN Cc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)c([N+](=O)[O-])c1 ZINC000509632648 294359436 /nfs/dbraw/zinc/35/94/36/294359436.db2.gz BEAHZKDQSHXGMK-UHFFFAOYSA-N 0 2 320.370 3.321 20 5 DGBDLN CCS[C@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000436867317 434143136 /nfs/dbraw/zinc/14/31/36/434143136.db2.gz CRJDQYKFAWYVBW-PWSUYJOCSA-N 0 2 324.402 3.095 20 5 DGBDLN CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1F ZINC000436887645 434149986 /nfs/dbraw/zinc/14/99/86/434149986.db2.gz XOPSIAIJFHMANE-UHFFFAOYSA-N 0 2 320.276 3.091 20 5 DGBDLN C[C@@H](CN(C)C(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC000436981989 434191727 /nfs/dbraw/zinc/19/17/27/434191727.db2.gz WJNLMUPPEVUEFR-LBPRGKRZSA-N 0 2 314.341 3.176 20 5 DGBDLN CCCCC[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436999751 434195458 /nfs/dbraw/zinc/19/54/58/434195458.db2.gz LRPLSECZWSKPDC-GFCCVEGCSA-N 0 2 306.362 3.485 20 5 DGBDLN O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCCCc2ccccc21 ZINC000185858435 304525050 /nfs/dbraw/zinc/52/50/50/304525050.db2.gz SNEZGOPZVAXKDX-UHFFFAOYSA-N 0 2 312.325 3.284 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000178953872 304530170 /nfs/dbraw/zinc/53/01/70/304530170.db2.gz JKDXESIQWKDBPU-YPMHNXCESA-N 0 2 304.346 3.095 20 5 DGBDLN COc1cc(-c2nc3ccc(C)c(C)c3[nH]2)cc([N+](=O)[O-])c1O ZINC000534878674 435302622 /nfs/dbraw/zinc/30/26/22/435302622.db2.gz SNMIXQZXEABKPI-UHFFFAOYSA-N 0 2 313.313 3.469 20 5 DGBDLN Cc1ccc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)c2n1 ZINC000436868603 301923438 /nfs/dbraw/zinc/92/34/38/301923438.db2.gz ALRVPSIOUVYPPB-UHFFFAOYSA-N 0 2 323.308 3.409 20 5 DGBDLN Cc1cc(C)cc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000539970649 313940853 /nfs/dbraw/zinc/94/08/53/313940853.db2.gz HRVWXRKZEXZLIR-UHFFFAOYSA-N 0 2 314.341 3.489 20 5 DGBDLN C/C(=C/C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1cccc(F)c1 ZINC000765421172 622264333 /nfs/dbraw/zinc/26/43/33/622264333.db2.gz RECZHERCEYEOEH-YFHOEESVSA-N 0 2 316.288 3.482 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1c[nH]c2cccc(F)c21 ZINC000770860432 622676051 /nfs/dbraw/zinc/67/60/51/622676051.db2.gz DPFNHXUZFPEFMZ-UHFFFAOYSA-N 0 2 315.260 3.173 20 5 DGBDLN Cc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)s1 ZINC000772348186 622887467 /nfs/dbraw/zinc/88/74/67/622887467.db2.gz DHTSCIQSOSZEJQ-SECBINFHSA-N 0 2 306.343 3.161 20 5 DGBDLN C[C@@H](NC(=O)c1cccc(Cl)c1O)c1cccc([N+](=O)[O-])c1 ZINC000775663494 623308403 /nfs/dbraw/zinc/30/84/03/623308403.db2.gz CUZUTXRXAFYRRN-SECBINFHSA-N 0 2 320.732 3.445 20 5 DGBDLN O=C(CC[C@@H]1CC1(Cl)Cl)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000832011664 629435508 /nfs/dbraw/zinc/43/55/08/629435508.db2.gz ZHXPCRCYZROWCX-SSDOTTSWSA-N 0 2 319.144 3.213 20 5 DGBDLN CC(C)(c1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1)c1ccc(Cl)cc1 ZINC000842505758 630543492 /nfs/dbraw/zinc/54/34/92/630543492.db2.gz BWIZUQYBVFZPIC-GHMZBOCLSA-N 0 2 307.737 3.182 20 5 DGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)C(F)(F)Cc1ccccc1 ZINC000793799292 661057910 /nfs/dbraw/zinc/05/79/10/661057910.db2.gz IOMSGVNJUJMBTB-UHFFFAOYSA-N 0 2 322.267 3.117 20 5 DGBDLN O=C(/C=C\c1cccc(F)c1)Nc1cc([N+](=O)[O-])ccc1O ZINC000254989839 655555533 /nfs/dbraw/zinc/55/55/33/655555533.db2.gz MHUXEFDGYNVWGF-DAXSKMNVSA-N 0 2 302.261 3.091 20 5 DGBDLN O=C(C[C@H]1CCCC1(F)F)Nc1cc([N+](=O)[O-])ccc1O ZINC000935102959 661760562 /nfs/dbraw/zinc/76/05/62/661760562.db2.gz JRNFQAAYYIYPEV-MRVPVSSYSA-N 0 2 300.261 3.064 20 5 DGBDLN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1ccsc1 ZINC000174735145 685106675 /nfs/dbraw/zinc/10/66/75/685106675.db2.gz RUPLYTVKFMMFSF-UHFFFAOYSA-N 0 2 318.763 3.111 20 5 DGBDLN O=C(CSCc1cccs1)Nc1cc([N+](=O)[O-])ccc1O ZINC001341617022 1179039549 /nfs/dbraw/zinc/03/95/49/1179039549.db2.gz ADQDFLMQALXIJR-UHFFFAOYSA-N 0 2 324.383 3.234 20 5 DGBDLN Cn1ccc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc21 ZINC001466629071 1183215673 /nfs/dbraw/zinc/21/56/73/1183215673.db2.gz PSSMQEZEVQTYPN-UHFFFAOYSA-N 0 2 311.297 3.044 20 5 DGBDLN CC(C)c1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC001616713807 1193545720 /nfs/dbraw/zinc/54/57/20/1193545720.db2.gz LOSTUSKHIUCEPA-UHFFFAOYSA-N 0 2 314.341 3.354 20 5 DGBDLN O=C(NCc1c(F)cccc1Cl)c1ccc([N+](=O)[O-])cc1O ZINC001543486713 1188337205 /nfs/dbraw/zinc/33/72/05/1188337205.db2.gz QKWUYTMYUDQXCG-UHFFFAOYSA-N 0 2 324.695 3.023 20 5 DGBDLN CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1C ZINC001630754354 1194302835 /nfs/dbraw/zinc/30/28/35/1194302835.db2.gz KNCNCIZBYXRNAG-UHFFFAOYSA-N 0 2 300.314 3.424 20 5 DGBDLN CC(C)=C[C@H]1[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1(C)C ZINC001632236233 1194378918 /nfs/dbraw/zinc/37/89/18/1194378918.db2.gz FNNNPJBMVSHSPS-SMDDNHRTSA-N 0 2 304.346 3.477 20 5 DGBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C1CCCCCC1 ZINC001633720476 1194452164 /nfs/dbraw/zinc/45/21/64/1194452164.db2.gz YSIKNXJBMKOUBG-LLVKDONJSA-N 0 2 306.362 3.389 20 5 DGBDLN CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001142064766 1092402006 /nfs/dbraw/zinc/40/20/06/1092402006.db2.gz AFZUCKZSSOLOAZ-OLZOCXBDSA-N 0 2 306.362 3.245 20 5 DGBDLN Cc1ccc(F)c(-c2noc(-c3cc(O)ccc3[N+](=O)[O-])n2)c1 ZINC001216678623 1094247608 /nfs/dbraw/zinc/24/76/08/1094247608.db2.gz OCOOVISJXXJLIF-UHFFFAOYSA-N 0 2 315.260 3.465 20 5 DGBDLN Cc1cc(-c2noc(-c3cc(O)ccc3[N+](=O)[O-])n2)ccc1F ZINC001216678553 1094248017 /nfs/dbraw/zinc/24/80/17/1094248017.db2.gz KWBXZLVQOLJQKC-UHFFFAOYSA-N 0 2 315.260 3.465 20 5 DGBDLN Cc1cc(-c2noc(-c3ccc(C)c(O)c3[N+](=O)[O-])n2)ccn1 ZINC001216856667 1094270363 /nfs/dbraw/zinc/27/03/63/1094270363.db2.gz IHFJOSHNWORUCK-UHFFFAOYSA-N 0 2 312.285 3.029 20 5 DGBDLN Cc1ccc(NC(=O)c2cc(F)cc(F)c2O)cc1[N+](=O)[O-] ZINC001136102885 1094864943 /nfs/dbraw/zinc/86/49/43/1094864943.db2.gz KKHZKEXGRXRVNI-UHFFFAOYSA-N 0 2 308.240 3.139 20 5 DGBDLN O=[N+]([O-])c1c(O)cccc1O[C@@H](c1cccnc1)C(F)(F)F ZINC001225619495 1096485468 /nfs/dbraw/zinc/48/54/68/1096485468.db2.gz BJBALUGCGKWKKR-LBPRGKRZSA-N 0 2 314.219 3.378 20 5 DGBDLN CCCC(CCC)Oc1nc(SC)[nH]c(=O)c1[N+](=O)[O-] ZINC001227624930 1096963468 /nfs/dbraw/zinc/96/34/68/1096963468.db2.gz JNHYLNDKPMRUHP-UHFFFAOYSA-N 0 2 301.368 3.160 20 5 DGBDLN Cc1cc2nc3nc(=O)[nH]c(O[C@H](C)C4CC4)c3nc2cc1C ZINC001228681772 1097166156 /nfs/dbraw/zinc/16/61/56/1097166156.db2.gz OOCHTJIEKXKSTH-SNVBAGLBSA-N 0 2 310.357 3.073 20 5 DGBDLN Cc1ccc2c(c1)CC[C@@H]2Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228969003 1097228849 /nfs/dbraw/zinc/22/88/49/1097228849.db2.gz WHYCDYSSXCQOBF-AWEZNQCLSA-N 0 2 301.298 3.381 20 5 DGBDLN O=[N+]([O-])c1c(O)cc(O)cc1O[C@@H]1CCCc2ccccc21 ZINC001228971276 1097229348 /nfs/dbraw/zinc/22/93/48/1097229348.db2.gz MSLQMWOLJNTVRI-CQSZACIVSA-N 0 2 301.298 3.462 20 5 DGBDLN O=[N+]([O-])c1c(O)cc(O)cc1O[C@@H]1CCc2c1nccc2Cl ZINC001228972209 1097230119 /nfs/dbraw/zinc/23/01/19/1097230119.db2.gz UUSHKUUFDFBLMQ-LLVKDONJSA-N 0 2 322.704 3.121 20 5 DGBDLN Cc1ccccc1OC[C@H](C)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228975315 1097230376 /nfs/dbraw/zinc/23/03/76/1097230376.db2.gz ZIIUSAXWNVYYCO-NSHDSACASA-N 0 2 319.313 3.161 20 5 DGBDLN O=[N+]([O-])c1ccc(-c2nnc(-c3ccc(F)cc3)o2)c(O)c1 ZINC001252251378 1105758491 /nfs/dbraw/zinc/75/84/91/1105758491.db2.gz BZDMYGXDBUFWFN-UHFFFAOYSA-N 0 2 301.233 3.157 20 5 DGBDLN CC[C@@H](C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C(F)(F)F ZINC000444546218 529419761 /nfs/dbraw/zinc/41/97/61/529419761.db2.gz MFAVVSSETCUUFL-HQJQHLMTSA-N 0 2 320.267 3.007 20 5 DGBDLN Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546692 185325157 /nfs/dbraw/zinc/32/51/57/185325157.db2.gz LGRXCXGQAKNKSY-WDEREUQCSA-N 0 2 318.354 3.413 20 5 DGBDLN Cn1nccc1[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000281140844 216106042 /nfs/dbraw/zinc/10/60/42/216106042.db2.gz DSPHOCRDINVYMI-MRXNPFEDSA-N 0 2 318.352 3.195 20 5 DGBDLN O=C(N[C@@H](c1ccccc1)C(F)F)c1ccc([N+](=O)[O-])cc1O ZINC000436884412 238563348 /nfs/dbraw/zinc/56/33/48/238563348.db2.gz BZZLFEVJBQDGSW-ZDUSSCGKSA-N 0 2 322.267 3.037 20 5 DGBDLN Cc1cc2cc[nH]c2cc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000444453281 239290669 /nfs/dbraw/zinc/29/06/69/239290669.db2.gz FAIVVLBGQIJGOR-UHFFFAOYSA-N 0 2 311.297 3.342 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc2cc(F)ccc2o1 ZINC000089531743 283950981 /nfs/dbraw/zinc/95/09/81/283950981.db2.gz UCCAVSWDMVSVPR-UHFFFAOYSA-N 0 2 316.244 3.438 20 5 DGBDLN CCCNc1ccccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000190159175 432128909 /nfs/dbraw/zinc/12/89/09/432128909.db2.gz HYTNDNLSISIEHS-UHFFFAOYSA-N 0 2 315.329 3.375 20 5 DGBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1Cl ZINC000017908429 182087435 /nfs/dbraw/zinc/08/74/35/182087435.db2.gz WYZHHQOCRLXQNG-SECBINFHSA-N 0 2 320.732 3.445 20 5 DGBDLN Cc1cc([C@H](C)NC(=O)c2cc(O)ccc2[N+](=O)[O-])c(C)o1 ZINC000336863141 253012593 /nfs/dbraw/zinc/01/25/93/253012593.db2.gz NBQCPEMOTPYRDD-VIFPVBQESA-N 0 2 304.302 3.001 20 5 DGBDLN O=C(Nc1nc2ccsc2s1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000344731629 254300703 /nfs/dbraw/zinc/30/07/03/254300703.db2.gz XVOQSHFLLQIRRL-UHFFFAOYSA-N 0 2 321.339 3.224 20 5 DGBDLN Cc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)sc1C ZINC000091010518 400086662 /nfs/dbraw/zinc/08/66/62/400086662.db2.gz WKKFVTDTQQCSLX-UHFFFAOYSA-N 0 2 312.372 3.074 20 5 DGBDLN O=C(Nc1cccc2c1CCCC2)c1ccc([N+](=O)[O-])c(O)c1 ZINC000022880072 400204802 /nfs/dbraw/zinc/20/48/02/400204802.db2.gz JHDOQGMFWHMQRL-UHFFFAOYSA-N 0 2 312.325 3.432 20 5 DGBDLN CC(C)[C@@H]1CCC2=NN(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 ZINC000601930653 400379137 /nfs/dbraw/zinc/37/91/37/400379137.db2.gz CHGAYPALMVQJDK-RISCZKNCSA-N 0 2 301.346 3.370 20 5 DGBDLN CC(C)[C@H]1CCC2=NN(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000601930654 400379240 /nfs/dbraw/zinc/37/92/40/400379240.db2.gz CHGAYPALMVQJDK-SMDDNHRTSA-N 0 2 301.346 3.370 20 5 DGBDLN O=C(NCCCC1CCCCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000031922912 400356991 /nfs/dbraw/zinc/35/69/91/400356991.db2.gz COBWFBVXQOMKTM-UHFFFAOYSA-N 0 2 306.362 3.391 20 5 DGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N(C1CC1)C1CCCCC1 ZINC000611534681 400417376 /nfs/dbraw/zinc/41/73/76/400417376.db2.gz MWGKTJVYPZBUFJ-UHFFFAOYSA-N 0 2 304.346 3.238 20 5 DGBDLN Cc1ccc(CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C2CC2)o1 ZINC000611534458 400417645 /nfs/dbraw/zinc/41/76/45/400417645.db2.gz AZEGFFUYLRQIFV-UHFFFAOYSA-N 0 2 316.313 3.007 20 5 DGBDLN Cc1sc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)nc1C(C)C ZINC000597894806 400689904 /nfs/dbraw/zinc/68/99/04/400689904.db2.gz NYUXRIGAURNCDJ-UHFFFAOYSA-N 0 2 321.358 3.441 20 5 DGBDLN Cc1cc(C)cc(-n2[nH]c(-c3ccc([N+](=O)[O-])cc3)cc2=O)c1 ZINC000603807601 400717693 /nfs/dbraw/zinc/71/76/93/400717693.db2.gz AWRDFYJVEIYNEA-UHFFFAOYSA-N 0 2 309.325 3.353 20 5 DGBDLN Cc1ccc(C)c(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000055546070 400876843 /nfs/dbraw/zinc/87/68/43/400876843.db2.gz JHGPXQZETGENHP-UHFFFAOYSA-N 0 2 320.370 3.321 20 5 DGBDLN COc1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c(C)cc1C ZINC000358368389 286043373 /nfs/dbraw/zinc/04/33/73/286043373.db2.gz LQPPGJVSHSZWKG-UHFFFAOYSA-N 0 2 316.313 3.178 20 5 DGBDLN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@@H]1c1ccccc1 ZINC000175186528 296921349 /nfs/dbraw/zinc/92/13/49/296921349.db2.gz QXWPXFYAIJGJJG-BZNIZROVSA-N 0 2 312.325 3.134 20 5 DGBDLN Cc1ccc(NC(=O)c2cc(F)c(O)c(F)c2)cc1[N+](=O)[O-] ZINC000183291516 228373178 /nfs/dbraw/zinc/37/31/78/228373178.db2.gz STKPWZAOJMGVGC-UHFFFAOYSA-N 0 2 308.240 3.139 20 5 DGBDLN CC[C@H](C)[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436974137 287781866 /nfs/dbraw/zinc/78/18/66/287781866.db2.gz WMWDDKZZJSNKRR-SMDDNHRTSA-N 0 2 306.362 3.341 20 5 DGBDLN CSc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000070904551 431264329 /nfs/dbraw/zinc/26/43/29/431264329.db2.gz OBNVASURNFPSCJ-UHFFFAOYSA-N 0 2 304.327 3.275 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000120770490 431734884 /nfs/dbraw/zinc/73/48/84/431734884.db2.gz WVHMAWVHEPLSCT-FZMZJTMJSA-N 0 2 304.346 3.095 20 5 DGBDLN O=C(Nc1nnc(-c2ccsc2)s1)c1ccc([N+](=O)[O-])o1 ZINC000079850487 431748089 /nfs/dbraw/zinc/74/80/89/431748089.db2.gz NEPJZTHROQNLMK-UHFFFAOYSA-N 0 2 322.327 3.020 20 5 DGBDLN CSc1ccsc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000089530881 431869952 /nfs/dbraw/zinc/86/99/52/431869952.db2.gz XWYVQVJWEXXPLQ-UHFFFAOYSA-N 0 2 310.356 3.336 20 5 DGBDLN C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000271353483 432379245 /nfs/dbraw/zinc/37/92/45/432379245.db2.gz YUSOYPDUHVAJPW-JKIFEVAISA-N 0 2 314.389 3.435 20 5 DGBDLN O=C(C/C=C\c1ccccc1F)Nc1cc([N+](=O)[O-])ccc1O ZINC000255141453 432407443 /nfs/dbraw/zinc/40/74/43/432407443.db2.gz GBJJVBMNBHBJSA-HYXAFXHYSA-N 0 2 316.288 3.482 20 5 DGBDLN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1ccccc1F ZINC000192731681 432408053 /nfs/dbraw/zinc/40/80/53/432408053.db2.gz MCKNMFDMINRSTC-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000187375774 432660660 /nfs/dbraw/zinc/66/06/60/432660660.db2.gz IMDCYCXKKNWRPZ-SMDDNHRTSA-N 0 2 306.362 3.341 20 5 DGBDLN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)c2ccccc21 ZINC000131728687 292661720 /nfs/dbraw/zinc/66/17/20/292661720.db2.gz HMHVXBOGDLQJEF-LLVKDONJSA-N 0 2 312.325 3.454 20 5 DGBDLN O=[N+]([O-])c1ccc(-c2nc(-c3cccc(F)c3)no2)cc1O ZINC000429867522 433784231 /nfs/dbraw/zinc/78/42/31/433784231.db2.gz CNPBQAGFLPZRMB-UHFFFAOYSA-N 0 2 301.233 3.157 20 5 DGBDLN CC(=O)c1ccc(O)c(NC(=O)c2cc(C)ccc2[N+](=O)[O-])c1 ZINC000436678738 434065861 /nfs/dbraw/zinc/06/58/61/434065861.db2.gz HTAFKZLMDJZGBD-UHFFFAOYSA-N 0 2 314.297 3.064 20 5 DGBDLN CCN(Cc1cccc(F)c1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436752964 434095877 /nfs/dbraw/zinc/09/58/77/434095877.db2.gz UGNTZVJBASZKLB-UHFFFAOYSA-N 0 2 318.304 3.102 20 5 DGBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(F)cc1F ZINC000436870576 434145190 /nfs/dbraw/zinc/14/51/90/434145190.db2.gz NVUFPCNMVMXDJQ-MRVPVSSYSA-N 0 2 322.267 3.070 20 5 DGBDLN CC(C)Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436868778 434145242 /nfs/dbraw/zinc/14/52/42/434145242.db2.gz KAEOMBBXGAICMJ-UHFFFAOYSA-N 0 2 316.313 3.340 20 5 DGBDLN O=C(N[C@@H](c1cccs1)C1CC1)c1cc([N+](=O)[O-])ccc1O ZINC000436953421 434182781 /nfs/dbraw/zinc/18/27/81/434182781.db2.gz PFVQKTKJKQLVHX-CQSZACIVSA-N 0 2 318.354 3.243 20 5 DGBDLN CSCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436983055 434192892 /nfs/dbraw/zinc/19/28/92/434192892.db2.gz ZQEPPAYHPMYAPX-UHFFFAOYSA-N 0 2 318.354 3.416 20 5 DGBDLN CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)c1ccc2cc[nH]c2c1 ZINC000436994776 434198143 /nfs/dbraw/zinc/19/81/43/434198143.db2.gz AQEFPWQECMTRNQ-UHFFFAOYSA-N 0 2 311.297 3.058 20 5 DGBDLN Cc1ccsc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000354204207 434669224 /nfs/dbraw/zinc/66/92/24/434669224.db2.gz CENCGJLBBARWRT-UHFFFAOYSA-N 0 2 312.372 3.074 20 5 DGBDLN CCc1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000534802278 435300816 /nfs/dbraw/zinc/30/08/16/435300816.db2.gz XIRWPPLKAHEJAL-UHFFFAOYSA-N 0 2 314.341 3.434 20 5 DGBDLN C[C@H](N=c1nc(C(C)(C)C)[nH]s1)c1ccccc1[N+](=O)[O-] ZINC000477763026 299008170 /nfs/dbraw/zinc/00/81/70/299008170.db2.gz VBDWDAKFNYOSEV-VIFPVBQESA-N 0 2 306.391 3.339 20 5 DGBDLN Cc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2O)c(C)c1 ZINC000184683177 301189843 /nfs/dbraw/zinc/18/98/43/301189843.db2.gz CUPZQZXXCTXTED-UHFFFAOYSA-N 0 2 300.314 3.478 20 5 DGBDLN Cc1nc2ccccc2cc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000180768968 302665776 /nfs/dbraw/zinc/66/57/76/302665776.db2.gz GDHDCADWPSBTMV-UHFFFAOYSA-N 0 2 323.308 3.409 20 5 DGBDLN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@H]2CCCC[C@@H]12 ZINC000530680550 313395900 /nfs/dbraw/zinc/39/59/00/313395900.db2.gz KZMKKIXRTFKYES-XBFCOCLRSA-N 0 2 318.373 3.341 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCSC12CCCCC2 ZINC000572745109 315814559 /nfs/dbraw/zinc/81/45/59/315814559.db2.gz GIMYGIGELNBYMB-UHFFFAOYSA-N 0 2 322.386 3.150 20 5 DGBDLN Cc1cc(C)c(CNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)c[nH+]1 ZINC000580957016 324058428 /nfs/dbraw/zinc/05/84/28/324058428.db2.gz KXLMPEOGRGSNCS-UHFFFAOYSA-N 0 2 315.329 3.225 20 5 DGBDLN O=C(Nc1nnc(C2CCCCC2)s1)c1ccc([N+](=O)[O-])o1 ZINC000020448975 618920624 /nfs/dbraw/zinc/92/06/24/618920624.db2.gz JZVJQYJHQNDYQF-UHFFFAOYSA-N 0 2 322.346 3.339 20 5 DGBDLN Cc1c(COC(=O)c2cc(F)c(O)c(F)c2)cccc1[N+](=O)[O-] ZINC000759541632 621869782 /nfs/dbraw/zinc/86/97/82/621869782.db2.gz SASSMDZENRRWRU-UHFFFAOYSA-N 0 2 323.251 3.244 20 5 DGBDLN C/C(=C/c1ccc(F)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000760198207 621920517 /nfs/dbraw/zinc/92/05/17/621920517.db2.gz WGGOKHDINMBZQM-NTMALXAHSA-N 0 2 316.288 3.482 20 5 DGBDLN C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000770859395 622675608 /nfs/dbraw/zinc/67/56/08/622675608.db2.gz ZQLBRTDHYWEXCW-JTQLQIEISA-N 0 2 318.304 3.257 20 5 DGBDLN O=C(/C=C\c1ccccc1F)Nc1cc([N+](=O)[O-])ccc1O ZINC000770859377 622675652 /nfs/dbraw/zinc/67/56/52/622675652.db2.gz ZIWIMPRNWHYBRF-YVMONPNESA-N 0 2 302.261 3.091 20 5 DGBDLN O=C1Nc2ccc(Cl)cc2/C1=C/c1cc(O)ccc1[N+](=O)[O-] ZINC000772804773 622942543 /nfs/dbraw/zinc/94/25/43/622942543.db2.gz XXTWFHVNSYYBHR-SDQBBNPISA-N 0 2 316.700 3.447 20 5 DGBDLN Cc1ccc(F)c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1F ZINC000776205277 623395746 /nfs/dbraw/zinc/39/57/46/623395746.db2.gz VWKMRKIIBJFLJB-UHFFFAOYSA-N 0 2 308.240 3.139 20 5 DGBDLN Cc1ccc([C@H](C)[NH2+][C@H](C)c2nc(C(=O)[O-])co2)cc1[N+](=O)[O-] ZINC001600374497 1192839097 /nfs/dbraw/zinc/83/90/97/1192839097.db2.gz YHVIHEKHIDCNSM-VHSXEESVSA-N 0 2 319.317 3.001 20 5 DGBDLN Cc1nc2c(cccc2NC(=O)c2ccc([N+](=O)[O-])cc2O)o1 ZINC001468009243 1183303515 /nfs/dbraw/zinc/30/35/15/1183303515.db2.gz NMCGQEBESMUXBC-UHFFFAOYSA-N 0 2 313.269 3.002 20 5 DGBDLN CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cccc(Cl)c1Cl ZINC001523137348 1187132707 /nfs/dbraw/zinc/13/27/07/1187132707.db2.gz BOGFKYIFAAPRCC-GMSGAONNSA-N 0 2 303.145 3.012 20 5 DGBDLN CCc1ccc(N(CC(C)(C)C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001526274558 1187359041 /nfs/dbraw/zinc/35/90/41/1187359041.db2.gz JYJFJBZIRPARBI-HUUCEWRRSA-N 0 2 304.390 3.293 20 5 DGBDLN O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1O ZINC001540485500 1188241287 /nfs/dbraw/zinc/24/12/87/1188241287.db2.gz LAMCJLQTXUYIDL-YNEHKIRRSA-N 0 2 318.373 3.389 20 5 DGBDLN C[C@H]1CCCC[C@H]1CCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001617468682 1193570906 /nfs/dbraw/zinc/57/09/06/1193570906.db2.gz QRVGTFAQXITBGI-RYUDHWBXSA-N 0 2 306.362 3.247 20 5 DGBDLN CC[C@@H](C)CONC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001556804071 1189021241 /nfs/dbraw/zinc/02/12/41/1189021241.db2.gz TWBDRCAFCRFJIC-GFCCVEGCSA-N 0 2 306.362 3.110 20 5 DGBDLN CCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C1CCCC1 ZINC001556984704 1189033535 /nfs/dbraw/zinc/03/35/35/1189033535.db2.gz ZYZGNRPNFDRELF-AWEZNQCLSA-N 0 2 306.362 3.389 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1C[C@]1(F)c1ccccc1 ZINC001567229936 1190082111 /nfs/dbraw/zinc/08/21/11/1190082111.db2.gz OAPSNESFVRDOBJ-WBMJQRKESA-N 0 2 316.288 3.124 20 5 DGBDLN CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c(F)c1 ZINC001570446974 1190860197 /nfs/dbraw/zinc/86/01/97/1190860197.db2.gz UYABPSJABQRNDM-UHFFFAOYSA-N 0 2 320.276 3.091 20 5 DGBDLN C[C@@H](CC1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001634690122 1194509160 /nfs/dbraw/zinc/50/91/60/1194509160.db2.gz SNJQMYNUHBJJHF-NSHDSACASA-N 0 2 306.362 3.389 20 5 DGBDLN CCCCCC[C@H](O)CCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001637881715 1194692198 /nfs/dbraw/zinc/69/21/98/1194692198.db2.gz OVXQRSYHPWPHBS-ZDUSSCGKSA-N 0 2 324.377 3.350 20 5 DGBDLN CCNc1ccc(C)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001637881798 1194692258 /nfs/dbraw/zinc/69/22/58/1194692258.db2.gz SZBJNEKJGRWSRV-UHFFFAOYSA-N 0 2 315.329 3.293 20 5 DGBDLN C[C@H]1C[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@H](C)C1 ZINC001640131522 1194798199 /nfs/dbraw/zinc/79/81/99/1194798199.db2.gz SHLFLPWDXKRBKE-GDNZZTSVSA-N 0 2 306.362 3.103 20 5 DGBDLN CCCCC[C@H](C)Oc1nc(SC)[nH]c(=O)c1[N+](=O)[O-] ZINC001227624532 1086639202 /nfs/dbraw/zinc/63/92/02/1086639202.db2.gz AMWLFOFLKPVDHC-QMMMGPOBSA-N 0 2 301.368 3.160 20 5 DGBDLN CCOC(=O)c1ncsc1Nc1ccc(C)cc1[N+](=O)[O-] ZINC001214169481 1087105277 /nfs/dbraw/zinc/10/52/77/1087105277.db2.gz OZMJSGJRWOXXBY-UHFFFAOYSA-N 0 2 307.331 3.280 20 5 DGBDLN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC001162017729 1089526286 /nfs/dbraw/zinc/52/62/86/1089526286.db2.gz LEFKMYZYQMVGFA-AWEZNQCLSA-N 0 2 300.314 3.182 20 5 DGBDLN Cc1cc(-c2noc(-c3c(O)cccc3[N+](=O)[O-])n2)cc(C)n1 ZINC001216846933 1094270612 /nfs/dbraw/zinc/27/06/12/1094270612.db2.gz HAIWCYNMKYUMHX-UHFFFAOYSA-N 0 2 312.285 3.029 20 5 DGBDLN COc1ccc([C@H](C)Oc2cc(O)cc(O)c2[N+](=O)[O-])cc1 ZINC001228971250 1097228623 /nfs/dbraw/zinc/22/86/23/1097228623.db2.gz MPYPYHMQOBOQEU-VIFPVBQESA-N 0 2 305.286 3.155 20 5 DGBDLN C[C@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])c1c(F)cccc1F ZINC001228967975 1097229080 /nfs/dbraw/zinc/22/90/80/1097229080.db2.gz FWUUNMDMVUXAKI-ZETCQYMHSA-N 0 2 311.240 3.424 20 5 DGBDLN CCCSc1nc(OC(CC)CC)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229791542 1097387098 /nfs/dbraw/zinc/38/70/98/1097387098.db2.gz KWPGMMSYJVOBBH-UHFFFAOYSA-N 0 2 301.368 3.160 20 5 DGBDLN CSc1cc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc[nH+]1 ZINC001176677837 1098404330 /nfs/dbraw/zinc/40/43/30/1098404330.db2.gz CNWLMISUCYZBRN-UHFFFAOYSA-N 0 2 305.315 3.154 20 5 DGBDLN COc1cc([N+](=O)[O-])cc(-c2nc3c(cc(C)cc3C)[nH]2)c1O ZINC001250818391 1105588998 /nfs/dbraw/zinc/58/89/98/1105588998.db2.gz ADOFTSGQJGZCNV-UHFFFAOYSA-N 0 2 313.313 3.469 20 5 DGBDLN Cc1ccccc1Cc1nnc(-c2cc(O)ccc2[N+](=O)[O-])o1 ZINC001258455906 1106754260 /nfs/dbraw/zinc/75/42/60/1106754260.db2.gz RVKYZVSFQQIXQM-UHFFFAOYSA-N 0 2 311.297 3.250 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCCCC1(F)F ZINC000327590272 231226826 /nfs/dbraw/zinc/22/68/26/231226826.db2.gz GUFCJOOFJYQSIE-SECBINFHSA-N 0 2 300.261 3.064 20 5 DGBDLN CCOc1cc(C)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000132153790 432045731 /nfs/dbraw/zinc/04/57/31/432045731.db2.gz LRIAGRQGUGZGII-UHFFFAOYSA-N 0 2 316.313 3.260 20 5 DGBDLN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179503933 199046791 /nfs/dbraw/zinc/04/67/91/199046791.db2.gz NPUVDSUQBSEVTA-SUNKGSAMSA-N 0 2 304.346 3.094 20 5 DGBDLN Cc1cccc(S(=O)(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1F ZINC000180464675 432087470 /nfs/dbraw/zinc/08/74/70/432087470.db2.gz WRZAYPCRTBMABU-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN O=C(Nc1cccc2c1CCCC2)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436629282 238496618 /nfs/dbraw/zinc/49/66/18/238496618.db2.gz UTKVVNDUDLIKBN-UHFFFAOYSA-N 0 2 312.325 3.432 20 5 DGBDLN Cc1cc(Cl)cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1O ZINC000119384591 284142206 /nfs/dbraw/zinc/14/22/06/284142206.db2.gz MKINNGKYZLGDLA-UHFFFAOYSA-N 0 2 322.704 3.220 20 5 DGBDLN Cc1ccc(C[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000489153266 245276164 /nfs/dbraw/zinc/27/61/64/245276164.db2.gz MHHNMKXGEVKLBI-GFCCVEGCSA-N 0 2 314.341 3.426 20 5 DGBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1Cl ZINC000017908430 182087507 /nfs/dbraw/zinc/08/75/07/182087507.db2.gz WYZHHQOCRLXQNG-VIFPVBQESA-N 0 2 320.732 3.445 20 5 DGBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(F)cc1F ZINC000018015877 182089746 /nfs/dbraw/zinc/08/97/46/182089746.db2.gz UZBNJEDOVLUWNG-QMMMGPOBSA-N 0 2 322.267 3.070 20 5 DGBDLN COc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184579748 284749552 /nfs/dbraw/zinc/74/95/52/284749552.db2.gz GTQMGEIXFBVAFY-UHFFFAOYSA-N 0 2 322.704 3.215 20 5 DGBDLN O=C(CCCc1ccccc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000059354233 184137527 /nfs/dbraw/zinc/13/75/27/184137527.db2.gz YZNFGFAQUMZZST-UHFFFAOYSA-N 0 2 300.314 3.262 20 5 DGBDLN C[C@H](C1CCCCC1)N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000338331674 253267009 /nfs/dbraw/zinc/26/70/09/253267009.db2.gz JJQFEBXXVSJIDT-LLVKDONJSA-N 0 2 306.362 3.341 20 5 DGBDLN CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000344071446 254220836 /nfs/dbraw/zinc/22/08/36/254220836.db2.gz WRTUSRCSHXEFES-ABAIWWIYSA-N 0 2 322.361 3.224 20 5 DGBDLN Cc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000120572326 195192972 /nfs/dbraw/zinc/19/29/72/195192972.db2.gz CRIUQKUBIKGPDG-UHFFFAOYSA-N 0 2 312.372 3.074 20 5 DGBDLN O=C(C[C@@H]1CCc2ccccc21)Nc1cc([N+](=O)[O-])ccc1O ZINC000092549934 400181548 /nfs/dbraw/zinc/18/15/48/400181548.db2.gz YDXGXPAZGYOAFD-LBPRGKRZSA-N 0 2 312.325 3.359 20 5 DGBDLN CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1CCc2ccccc21 ZINC000030980196 400336246 /nfs/dbraw/zinc/33/62/46/400336246.db2.gz LUOPZVIMUIQSKN-AWEZNQCLSA-N 0 2 312.325 3.060 20 5 DGBDLN CSCC1(Cc2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)CC1 ZINC000596607878 400455734 /nfs/dbraw/zinc/45/57/34/400455734.db2.gz BMZBYTDRCCUYLL-UHFFFAOYSA-N 0 2 321.358 3.036 20 5 DGBDLN CCN(Cc1ccc(C)cc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000603517693 400696452 /nfs/dbraw/zinc/69/64/52/400696452.db2.gz OKJUIUYTAWBNLN-UHFFFAOYSA-N 0 2 314.341 3.271 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCCC2(CCCC2)CC1 ZINC000597953157 400703474 /nfs/dbraw/zinc/70/34/74/400703474.db2.gz AAICEMIOSQTDMK-UHFFFAOYSA-N 0 2 318.373 3.487 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N(C1CC1)C1CCCCC1 ZINC000613906955 400810950 /nfs/dbraw/zinc/81/09/50/400810950.db2.gz MYOUXDJTDBTRCT-UHFFFAOYSA-N 0 2 304.346 3.238 20 5 DGBDLN C[C@@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])C1CCCCC1 ZINC000598439340 400813265 /nfs/dbraw/zinc/81/32/65/400813265.db2.gz JDJZEHFBQYHYJD-NSHDSACASA-N 0 2 306.362 3.247 20 5 DGBDLN C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599073955 400952233 /nfs/dbraw/zinc/95/22/33/400952233.db2.gz ODQQIYYFMPAQIX-CXAGYDPISA-N 0 2 303.406 3.262 20 5 DGBDLN C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000361485236 286679103 /nfs/dbraw/zinc/67/91/03/286679103.db2.gz MSGZXSRLTNUCNL-PWSUYJOCSA-N 0 2 306.362 3.245 20 5 DGBDLN Cc1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)s1 ZINC000362963469 286882200 /nfs/dbraw/zinc/88/22/00/286882200.db2.gz MYNDPNLLIMVUQG-UHFFFAOYSA-N 0 2 306.343 3.242 20 5 DGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccsc2)c(Cl)c1 ZINC000174253062 164722305 /nfs/dbraw/zinc/72/23/05/164722305.db2.gz WDFCXBRATDTSKA-UHFFFAOYSA-N 0 2 318.763 3.111 20 5 DGBDLN O=[N+]([O-])c1ccc(-c2nc(CCc3ccccc3)no2)cc1O ZINC000191296040 165242760 /nfs/dbraw/zinc/24/27/60/165242760.db2.gz BDQKKCOSAZHGMY-UHFFFAOYSA-N 0 2 311.297 3.136 20 5 DGBDLN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)[C@@H]1c1ccccc1 ZINC000179524956 228351364 /nfs/dbraw/zinc/35/13/64/228351364.db2.gz MLNPWVZQYPEQDN-ZBEGNZNMSA-N 0 2 312.325 3.134 20 5 DGBDLN CCS[C@H]1CCCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000112118081 431248925 /nfs/dbraw/zinc/24/89/25/431248925.db2.gz JHELNDGDZQWKGG-LBPRGKRZSA-N 0 2 324.402 3.048 20 5 DGBDLN C[C@H]1CCN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)c2ccccc21 ZINC000185229493 279710170 /nfs/dbraw/zinc/71/01/70/279710170.db2.gz UUQMIZDBCHJQPS-NSHDSACASA-N 0 2 312.325 3.454 20 5 DGBDLN O=C(Cc1cccc(Cl)c1)Nc1cc([N+](=O)[O-])ccc1O ZINC000089531519 431869464 /nfs/dbraw/zinc/86/94/64/431869464.db2.gz KWSZEFNRZSYXKL-UHFFFAOYSA-N 0 2 306.705 3.135 20 5 DGBDLN CCS[C@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000174911981 432379065 /nfs/dbraw/zinc/37/90/65/432379065.db2.gz YYIDXNMQUKAKPV-RYUDHWBXSA-N 0 2 324.402 3.095 20 5 DGBDLN CC(C)CC[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000155651950 432565247 /nfs/dbraw/zinc/56/52/47/432565247.db2.gz LBCVGMGHKGQGPI-ZDUSSCGKSA-N 0 2 306.362 3.341 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc2ncsc2c1 ZINC000194053733 432520850 /nfs/dbraw/zinc/52/08/50/432520850.db2.gz UEUVIIXBYLLCIX-UHFFFAOYSA-N 0 2 315.310 3.162 20 5 DGBDLN CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000187375734 432660962 /nfs/dbraw/zinc/66/09/62/432660962.db2.gz IMDCYCXKKNWRPZ-BXUZGUMPSA-N 0 2 306.362 3.341 20 5 DGBDLN CC(C)(C)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000331082415 432929308 /nfs/dbraw/zinc/92/93/08/432929308.db2.gz OUKNFTFAPMAELR-LBPRGKRZSA-N 0 2 306.362 3.199 20 5 DGBDLN Cc1nc(C2CC2)ccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000297651013 433001808 /nfs/dbraw/zinc/00/18/08/433001808.db2.gz YKSRUUHCBHQTJB-UHFFFAOYSA-N 0 2 313.313 3.134 20 5 DGBDLN CCO[C@H](CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1)C1=CCCC1 ZINC000361663389 433330756 /nfs/dbraw/zinc/33/07/56/433330756.db2.gz UEVDKQPALFAPCR-OAHLLOKOSA-N 0 2 320.345 3.144 20 5 DGBDLN CCC1(CC)CN(C(=O)c2cc([N+](=O)[O-])ccc2O)CCS1 ZINC000436800988 434113404 /nfs/dbraw/zinc/11/34/04/434113404.db2.gz PRVOUHDIDRNIRJ-UHFFFAOYSA-N 0 2 324.402 3.048 20 5 DGBDLN Cc1ccc2nc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)ccc2c1 ZINC000436821705 434124151 /nfs/dbraw/zinc/12/41/51/434124151.db2.gz XMQWFTGQAZQPKX-UHFFFAOYSA-N 0 2 323.308 3.409 20 5 DGBDLN CC[C@@H](C)[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436974131 434189552 /nfs/dbraw/zinc/18/95/52/434189552.db2.gz WMWDDKZZJSNKRR-BXUZGUMPSA-N 0 2 306.362 3.341 20 5 DGBDLN C[C@@H]1c2ccsc2CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274568206 297832916 /nfs/dbraw/zinc/83/29/16/297832916.db2.gz DEIWHRRGDTXERW-SECBINFHSA-N 0 2 318.354 3.121 20 5 DGBDLN C[C@@H]1CCCC[C@@H]1CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000512488402 435360233 /nfs/dbraw/zinc/36/02/33/435360233.db2.gz HVXUTNOWSKMCKW-VXGBXAGGSA-N 0 2 306.362 3.247 20 5 DGBDLN C[C@@H]1CCCC[C@H]1CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000512488399 435361520 /nfs/dbraw/zinc/36/15/20/435361520.db2.gz HVXUTNOWSKMCKW-NEPJUHHUSA-N 0 2 306.362 3.247 20 5 DGBDLN Cc1cc(C)c(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)c(C)c1 ZINC000536889964 435418474 /nfs/dbraw/zinc/41/84/74/435418474.db2.gz NOBHBHDQFNJLMX-UHFFFAOYSA-N 0 2 314.341 3.407 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCSC12CCCCC2 ZINC000568554198 435447546 /nfs/dbraw/zinc/44/75/46/435447546.db2.gz PYGAVUYVRJYUCD-UHFFFAOYSA-N 0 2 322.386 3.150 20 5 DGBDLN CC(C)c1scnc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000519722254 435704401 /nfs/dbraw/zinc/70/44/01/435704401.db2.gz GFGXEWBPLGGYSC-UHFFFAOYSA-N 0 2 307.331 3.133 20 5 DGBDLN O=[N+]([O-])c1cccc(CNc2nc(C3CCCC3)ns2)c1 ZINC000567157454 315400192 /nfs/dbraw/zinc/40/01/92/315400192.db2.gz STBCYJCYVPIBSW-UHFFFAOYSA-N 0 2 304.375 3.138 20 5 DGBDLN CCC[C@H](C)c1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)n[nH]1 ZINC000173354537 528085017 /nfs/dbraw/zinc/08/50/17/528085017.db2.gz PTADFOLHNRDBHY-VIFPVBQESA-N 0 2 318.333 3.179 20 5 DGBDLN CCN(Cc1ccccc1C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000181872040 528836979 /nfs/dbraw/zinc/83/69/79/528836979.db2.gz GWWMUKWWMBARQX-UHFFFAOYSA-N 0 2 314.341 3.271 20 5 DGBDLN C[N@H+](Cc1ccc(C(=O)[O-])cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000737470544 574847075 /nfs/dbraw/zinc/84/70/75/574847075.db2.gz IUMKIJDUSRKPJE-UHFFFAOYSA-N 0 2 318.304 3.064 20 5 DGBDLN C[N@@H+](Cc1ccc(C(=O)[O-])cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000737470544 574847077 /nfs/dbraw/zinc/84/70/77/574847077.db2.gz IUMKIJDUSRKPJE-UHFFFAOYSA-N 0 2 318.304 3.064 20 5 DGBDLN C[C@@H](OC(=O)c1[nH]nc2c1CCCC2)c1ccccc1[N+](=O)[O-] ZINC000749052313 575623587 /nfs/dbraw/zinc/62/35/87/575623587.db2.gz BLHUPVGIXGNBPG-SNVBAGLBSA-N 0 2 315.329 3.115 20 5 DGBDLN CC(C)Oc1cc(Cl)ccc1-c1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC000897064651 619010157 /nfs/dbraw/zinc/01/01/57/619010157.db2.gz LAZARRFOUURKKJ-GHMZBOCLSA-N 0 2 323.736 3.310 20 5 DGBDLN Cc1ccc(-c2nc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])sc2C)s1 ZINC000839649419 621703276 /nfs/dbraw/zinc/70/32/76/621703276.db2.gz GTVYQMLPFNNQSK-RKDXNWHRSA-N 0 2 323.399 3.092 20 5 DGBDLN Cc1ccnc2ccc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)cc12 ZINC000803097491 626594221 /nfs/dbraw/zinc/59/42/21/626594221.db2.gz DJSZYDDDFOVAQH-UHFFFAOYSA-N 0 2 323.308 3.409 20 5 DGBDLN CCCCCCO[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000840405021 628273412 /nfs/dbraw/zinc/27/34/12/628273412.db2.gz IGMLUESFFDSPPV-NSHDSACASA-N 0 2 310.350 3.224 20 5 DGBDLN Cc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1F ZINC000078234571 662056460 /nfs/dbraw/zinc/05/64/60/662056460.db2.gz PAUYTMVEFZASPP-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN CCON(CC1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC001626179214 1193104413 /nfs/dbraw/zinc/10/44/13/1193104413.db2.gz BHJDLUJUCVTQTG-UHFFFAOYSA-N 0 2 322.361 3.274 20 5 DGBDLN C/C(=C\C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1cccs1 ZINC001447257694 1182185120 /nfs/dbraw/zinc/18/51/20/1182185120.db2.gz BWXYIADOAJDSPZ-VQHVLOKHSA-N 0 2 304.327 3.404 20 5 DGBDLN O=C([O-])c1ccc2c(c1)C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC001610843393 1193412470 /nfs/dbraw/zinc/41/24/70/1193412470.db2.gz ICPOUGJTABLMKZ-HYXAFXHYSA-N 0 2 324.336 3.322 20 5 DGBDLN O=C([O-])c1ccc2c(c1)C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC001610843393 1193412472 /nfs/dbraw/zinc/41/24/72/1193412472.db2.gz ICPOUGJTABLMKZ-HYXAFXHYSA-N 0 2 324.336 3.322 20 5 DGBDLN CCC1CCC(CNC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC001544982994 1188418211 /nfs/dbraw/zinc/41/82/11/1188418211.db2.gz PIKNDXGEUSQWAF-UHFFFAOYSA-N 0 2 306.362 3.247 20 5 DGBDLN C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001545245071 1188426038 /nfs/dbraw/zinc/42/60/38/1188426038.db2.gz JHCNEDJBTFJOJD-ZWNOBZJWSA-N 0 2 306.362 3.245 20 5 DGBDLN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(F)c1O ZINC001556934462 1189030132 /nfs/dbraw/zinc/03/01/32/1189030132.db2.gz LKOMJOYTYYUSFY-FPYGCLRLSA-N 0 2 320.251 3.231 20 5 DGBDLN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cc(F)cc(F)c1O ZINC001623974370 1193974303 /nfs/dbraw/zinc/97/43/03/1193974303.db2.gz BVHPFNWTPRRPDP-UHFFFAOYSA-N 0 2 322.267 3.448 20 5 DGBDLN Cc1cccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)c1C ZINC001633354912 1194433356 /nfs/dbraw/zinc/43/33/56/1194433356.db2.gz BDPHWEQPOIKUNS-LBPRGKRZSA-N 0 2 314.341 3.408 20 5 DGBDLN CC[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001637827011 1194688280 /nfs/dbraw/zinc/68/82/80/1194688280.db2.gz QEKPYKWYQWAVGU-VXGBXAGGSA-N 0 2 306.362 3.247 20 5 DGBDLN C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1O)CC(C)(C)C ZINC001638642134 1194730001 /nfs/dbraw/zinc/73/00/01/1194730001.db2.gz AUVLIESDRRSLBI-LLVKDONJSA-N 0 2 308.378 3.493 20 5 DGBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1Cl ZINC001641442727 1194854061 /nfs/dbraw/zinc/85/40/61/1194854061.db2.gz BOYJMJSJSBYRAP-VIFPVBQESA-N 0 2 320.732 3.445 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H](C2CCCC2)C1 ZINC001181064779 1083396266 /nfs/dbraw/zinc/39/62/66/1083396266.db2.gz YBKGIYSPDALQKT-CYBMUJFWSA-N 0 2 318.373 3.343 20 5 DGBDLN Cc1cc2ccccc2nc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001153455820 1088252558 /nfs/dbraw/zinc/25/25/58/1088252558.db2.gz OTSNVDKURZYDGH-UHFFFAOYSA-N 0 2 323.308 3.409 20 5 DGBDLN Cc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2O)cc1C ZINC001161811196 1089416419 /nfs/dbraw/zinc/41/64/19/1089416419.db2.gz XHVCKLVXVYICEB-UHFFFAOYSA-N 0 2 314.341 3.189 20 5 DGBDLN CC(C)c1cncc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC001157939069 1090153205 /nfs/dbraw/zinc/15/32/05/1090153205.db2.gz XGZCWCFUHSWINL-UHFFFAOYSA-N 0 2 301.302 3.071 20 5 DGBDLN Cc1cc(F)ccc1-c1noc(-c2c(O)cccc2[N+](=O)[O-])n1 ZINC001216845203 1094269221 /nfs/dbraw/zinc/26/92/21/1094269221.db2.gz BTVUKIUSBQUWFO-UHFFFAOYSA-N 0 2 315.260 3.465 20 5 DGBDLN CCC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001143918358 1095440204 /nfs/dbraw/zinc/44/02/04/1095440204.db2.gz SOPIXVPJQLQAPP-RISCZKNCSA-N 0 2 306.362 3.389 20 5 DGBDLN CC(C)[C@H]1CCCCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC001137856581 1095770062 /nfs/dbraw/zinc/77/00/62/1095770062.db2.gz FYKTYFQJAMQYAS-CQSZACIVSA-N 0 2 306.362 3.341 20 5 DGBDLN C[C@@H](Oc1cccc(O)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001225620111 1096484853 /nfs/dbraw/zinc/48/48/53/1096484853.db2.gz MSHGFJVOFGGJGY-SECBINFHSA-N 0 2 304.258 3.349 20 5 DGBDLN COc1ccc([C@H](C)Oc2cccc(O)c2[N+](=O)[O-])cc1OC ZINC001225620100 1096485144 /nfs/dbraw/zinc/48/51/44/1096485144.db2.gz MLMBRKNYBWGYES-JTQLQIEISA-N 0 2 319.313 3.458 20 5 DGBDLN COc1ccc(OC[C@@H](C)Oc2cccc(O)c2[N+](=O)[O-])cc1 ZINC001225619583 1096485228 /nfs/dbraw/zinc/48/52/28/1096485228.db2.gz CYBZDCYXKKDMKE-LLVKDONJSA-N 0 2 319.313 3.155 20 5 DGBDLN C[C@@H](Oc1cccc(O)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001225620516 1096486112 /nfs/dbraw/zinc/48/61/12/1096486112.db2.gz RKBIZLADOIVUBW-SECBINFHSA-N 0 2 304.258 3.349 20 5 DGBDLN O=[N+]([O-])c1c(O)cccc1OC[C@@H]1CCc2ccccc2O1 ZINC001225623304 1096487283 /nfs/dbraw/zinc/48/72/83/1096487283.db2.gz NKGDXLGFJHJWHK-LBPRGKRZSA-N 0 2 301.298 3.073 20 5 DGBDLN C[C@@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])c1cccc(F)c1F ZINC001228972953 1097230161 /nfs/dbraw/zinc/23/01/61/1097230161.db2.gz FNPNUOHVZOECGR-SSDOTTSWSA-N 0 2 311.240 3.424 20 5 DGBDLN O=[N+]([O-])c1ccc(O)cc1-c1nnc(-c2cccc(F)c2)o1 ZINC001254209566 1106035581 /nfs/dbraw/zinc/03/55/81/1106035581.db2.gz NLRMLGNAJFPWFW-UHFFFAOYSA-N 0 2 301.233 3.157 20 5 DGBDLN O=[N+]([O-])c1ccc(-c2nnc(Cc3cccc(F)c3)o2)c(O)c1 ZINC001258571966 1106828001 /nfs/dbraw/zinc/82/80/01/1106828001.db2.gz WSBFCCBBRCMYCW-UHFFFAOYSA-N 0 2 315.260 3.080 20 5 DGBDLN C[C@@H](OC1CCCCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092549009 185325511 /nfs/dbraw/zinc/32/55/11/185325511.db2.gz LXAFPBQOLIHBSC-LLVKDONJSA-N 0 2 322.361 3.367 20 5 DGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@@H]1c1cccs1 ZINC000181798526 199353262 /nfs/dbraw/zinc/35/32/62/199353262.db2.gz OEZOSACRJDEENT-GFCCVEGCSA-N 0 2 318.354 3.339 20 5 DGBDLN O=C(Nc1nc2ccsc2s1)c1ccc([N+](=O)[O-])cc1O ZINC000436992882 304016523 /nfs/dbraw/zinc/01/65/23/304016523.db2.gz XIDGJXJDIOMKQS-UHFFFAOYSA-N 0 2 321.339 3.224 20 5 DGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC[C@H]1C1CCCCC1 ZINC000331913356 234269857 /nfs/dbraw/zinc/26/98/57/234269857.db2.gz KVVYBIIUYYQQBS-AWEZNQCLSA-N 0 2 318.373 3.485 20 5 DGBDLN CC(C)(NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cccc(F)c1 ZINC000180040334 432076177 /nfs/dbraw/zinc/07/61/77/432076177.db2.gz NJGWUMYUNXCFDN-UHFFFAOYSA-N 0 2 318.304 3.105 20 5 DGBDLN Cc1ccc(S(=O)(=O)Nc2ccc(F)c(C)c2)c([N+](=O)[O-])c1 ZINC000485022413 244914460 /nfs/dbraw/zinc/91/44/60/244914460.db2.gz GHPLISJVVAMIIY-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CSc2ccccc21 ZINC000135342384 284472056 /nfs/dbraw/zinc/47/20/56/284472056.db2.gz DLQRHNDCVVAYII-LLVKDONJSA-N 0 2 316.338 3.128 20 5 DGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@H]2CCCC[C@H]21 ZINC000181842040 432146455 /nfs/dbraw/zinc/14/64/55/432146455.db2.gz ZPGKZEFEOMDZOC-BXUZGUMPSA-N 0 2 304.346 3.095 20 5 DGBDLN CC(C)C1(C)CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000190348244 432146610 /nfs/dbraw/zinc/14/66/10/432146610.db2.gz OVDUFSAFJOUGDM-UHFFFAOYSA-N 0 2 306.362 3.199 20 5 DGBDLN Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)ccn1C(C)C ZINC000343880362 254198873 /nfs/dbraw/zinc/19/88/73/254198873.db2.gz QZKVHTVTJMQAMS-UHFFFAOYSA-N 0 2 303.318 3.244 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCc2sccc21 ZINC000092546114 400181258 /nfs/dbraw/zinc/18/12/58/400181258.db2.gz MJQCXIXMHUZMBQ-LLVKDONJSA-N 0 2 318.354 3.421 20 5 DGBDLN CC(C)[C@@H]1CCC2=NN(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000601930651 400378163 /nfs/dbraw/zinc/37/81/63/400378163.db2.gz CHGAYPALMVQJDK-BXUZGUMPSA-N 0 2 301.346 3.370 20 5 DGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)C1CCC(C2CC2)CC1 ZINC000597491303 400638023 /nfs/dbraw/zinc/63/80/23/400638023.db2.gz JCRDKOYFTDNUPV-UHFFFAOYSA-N 0 2 304.346 3.455 20 5 DGBDLN Cc1ccc(S(=O)(=O)Nc2c(C)cccc2C)c([N+](=O)[O-])c1 ZINC000158552561 400725800 /nfs/dbraw/zinc/72/58/00/400725800.db2.gz ACVXMCMMLCRBLS-UHFFFAOYSA-N 0 2 320.370 3.321 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@H](C2CCCCC2)C1 ZINC000598151047 400751710 /nfs/dbraw/zinc/75/17/10/400751710.db2.gz OUIVLEFXDNCCIK-AWEZNQCLSA-N 0 2 318.373 3.343 20 5 DGBDLN CCC1(CC)CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000598217767 400761999 /nfs/dbraw/zinc/76/19/99/400761999.db2.gz BGACTHCTRDEOEU-UHFFFAOYSA-N 0 2 306.362 3.343 20 5 DGBDLN C[C@@H]1C[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC[N@@H+]1C ZINC000599051691 400939208 /nfs/dbraw/zinc/93/92/08/400939208.db2.gz WAVUAUSDNUWFDH-DGCLKSJQSA-N 0 2 300.362 3.038 20 5 DGBDLN CC[C@@H](C)[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436985445 286812536 /nfs/dbraw/zinc/81/25/36/286812536.db2.gz DBKCNZOTFKZOCP-BXUZGUMPSA-N 0 2 306.362 3.341 20 5 DGBDLN C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166178194 164600770 /nfs/dbraw/zinc/60/07/70/164600770.db2.gz FKPRIBAAFPTTKL-SNVBAGLBSA-N 0 2 318.354 3.420 20 5 DGBDLN CN(C(=O)c1cc([N+](=O)[O-])ccc1O)C1CCC(C)(C)CC1 ZINC000182095233 432159197 /nfs/dbraw/zinc/15/91/97/432159197.db2.gz IQPAKAXPXHQVLX-UHFFFAOYSA-N 0 2 306.362 3.341 20 5 DGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N(Cc1ccccc1)C1CC1 ZINC000179408589 228350709 /nfs/dbraw/zinc/35/07/09/228350709.db2.gz ZXIROWISFMEVCY-UHFFFAOYSA-N 0 2 312.325 3.105 20 5 DGBDLN COc1ccc(Cl)cc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000183292622 228372695 /nfs/dbraw/zinc/37/26/95/228372695.db2.gz KHCXKZGLRGRVDM-UHFFFAOYSA-N 0 2 322.704 3.215 20 5 DGBDLN CC(C)(C)c1csc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000025447273 431656255 /nfs/dbraw/zinc/65/62/55/431656255.db2.gz ZNXQCFQBPKLPJW-UHFFFAOYSA-N 0 2 321.358 3.307 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(F)cc1Cl ZINC000089531275 431869567 /nfs/dbraw/zinc/86/95/67/431869567.db2.gz LKXXAOGYRAAKBP-UHFFFAOYSA-N 0 2 310.668 3.345 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1OC(F)F ZINC000089540819 431869691 /nfs/dbraw/zinc/86/96/91/431869691.db2.gz YUAOBEMGPNPTNN-UHFFFAOYSA-N 0 2 324.239 3.154 20 5 DGBDLN CC[C@@H](C)[C@@H](C)N(C(=O)c1ccc([N+](=O)[O-])cc1O)C1CC1 ZINC000184754715 432429582 /nfs/dbraw/zinc/42/95/82/432429582.db2.gz HRKMQAMDIHELTN-GHMZBOCLSA-N 0 2 306.362 3.340 20 5 DGBDLN CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CCCC[C@H]1C ZINC000184952157 432449365 /nfs/dbraw/zinc/44/93/65/432449365.db2.gz MXMZMXWTYBLFKY-BXUZGUMPSA-N 0 2 306.362 3.341 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N(Cc1cccs1)C1CC1 ZINC000184635898 432415228 /nfs/dbraw/zinc/41/52/28/432415228.db2.gz RZXHPKNVCLXKMP-UHFFFAOYSA-N 0 2 318.354 3.167 20 5 DGBDLN CSCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000185068987 432464097 /nfs/dbraw/zinc/46/40/97/432464097.db2.gz HKUIJZIBQDSRLX-UHFFFAOYSA-N 0 2 318.354 3.416 20 5 DGBDLN Cc1c(NC(=O)c2cc(F)c(O)c(F)c2)cccc1[N+](=O)[O-] ZINC000186400277 432591160 /nfs/dbraw/zinc/59/11/60/432591160.db2.gz DRKMTVFPYNHLIZ-UHFFFAOYSA-N 0 2 308.240 3.139 20 5 DGBDLN Cc1cccc(F)c1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000186492440 432600810 /nfs/dbraw/zinc/60/08/10/432600810.db2.gz VQDPEFZAHQOKLV-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN Cc1cc(-c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)c(C)o1 ZINC000351074392 433364546 /nfs/dbraw/zinc/36/45/46/433364546.db2.gz YPXKHXKHJHQYIW-UHFFFAOYSA-N 0 2 301.258 3.227 20 5 DGBDLN CC(C)c1scnc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000362963323 433935114 /nfs/dbraw/zinc/93/51/14/433935114.db2.gz KXZQPSSDNXNXHM-UHFFFAOYSA-N 0 2 307.331 3.133 20 5 DGBDLN CC(C)[C@@H]1N(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC12CCCC2 ZINC000457159564 434023426 /nfs/dbraw/zinc/02/34/26/434023426.db2.gz GUPIDECELXEHLO-HNNXBMFYSA-N 0 2 318.373 3.341 20 5 DGBDLN CCS[C@@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000436682960 434063820 /nfs/dbraw/zinc/06/38/20/434063820.db2.gz XALWRGNGVSTKTQ-CMPLNLGQSA-N 0 2 324.402 3.095 20 5 DGBDLN CC(C)c1[nH]nc(C(=O)Nc2cccc(Cl)c2O)c1[N+](=O)[O-] ZINC000436803283 434118957 /nfs/dbraw/zinc/11/89/57/434118957.db2.gz NQZRKLVBDACMMU-UHFFFAOYSA-N 0 2 324.724 3.053 20 5 DGBDLN CCn1c2cc(F)ccc2nc1-c1ccc([N+](=O)[O-])c(O)c1 ZINC000502773583 294174690 /nfs/dbraw/zinc/17/46/90/294174690.db2.gz KHUTUYYCKVWNAQ-UHFFFAOYSA-N 0 2 301.277 3.476 20 5 DGBDLN O=[N+]([O-])c1cc(-c2nc3cnc(C(F)(F)F)cc3[nH]2)ccc1O ZINC000446144208 434852149 /nfs/dbraw/zinc/85/21/49/434852149.db2.gz BTYBLWMEUUZANS-UHFFFAOYSA-N 0 2 324.218 3.258 20 5 DGBDLN CC(C)c1scnc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000579636334 435171608 /nfs/dbraw/zinc/17/16/08/435171608.db2.gz HOJHXDWKRQBWGW-UHFFFAOYSA-N 0 2 307.331 3.133 20 5 DGBDLN C[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179503948 300452692 /nfs/dbraw/zinc/45/26/92/300452692.db2.gz NPUVDSUQBSEVTA-MJVIPROJSA-N 0 2 304.346 3.094 20 5 DGBDLN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@H]2CCCC[C@H]12 ZINC000547859803 314404904 /nfs/dbraw/zinc/40/49/04/314404904.db2.gz QKSVUSXMFRVINE-KYOSRNDESA-N 0 2 318.373 3.341 20 5 DGBDLN CC(C)CN(CC(C)(C)C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182117234 527926678 /nfs/dbraw/zinc/92/66/78/527926678.db2.gz ILBKLKUQZJQRGM-UHFFFAOYSA-N 0 2 308.378 3.445 20 5 DGBDLN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](F)C(F)(F)F ZINC000294777135 528942088 /nfs/dbraw/zinc/94/20/88/528942088.db2.gz ZPRDQBTVGXVMJL-LLVKDONJSA-N 0 2 322.258 3.232 20 5 DGBDLN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(F)C(F)(F)F ZINC000294777135 528942093 /nfs/dbraw/zinc/94/20/93/528942093.db2.gz ZPRDQBTVGXVMJL-LLVKDONJSA-N 0 2 322.258 3.232 20 5 DGBDLN CC(C)N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000183359843 528950474 /nfs/dbraw/zinc/95/04/74/528950474.db2.gz LTEXWBPRNNTYSD-UHFFFAOYSA-N 0 2 314.341 3.351 20 5 DGBDLN CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)C1=CCCC1 ZINC000312264142 546453467 /nfs/dbraw/zinc/45/34/67/546453467.db2.gz CXDHOMOTNBQJBE-UHFFFAOYSA-N 0 2 304.346 3.167 20 5 DGBDLN C/C(=C\C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccc(F)cc1 ZINC000760197891 621920534 /nfs/dbraw/zinc/92/05/34/621920534.db2.gz NFDKCWCHQSLNRL-CSKARUKUSA-N 0 2 316.288 3.482 20 5 DGBDLN CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(C)cc1 ZINC000772109720 622847604 /nfs/dbraw/zinc/84/76/04/622847604.db2.gz IATFAGUITCVTAZ-UHFFFAOYSA-N 0 2 300.314 3.276 20 5 DGBDLN O=C(c1cccc(Cl)c1O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000775649593 623304072 /nfs/dbraw/zinc/30/40/72/623304072.db2.gz LXIJOUMASUODCX-UHFFFAOYSA-N 0 2 318.716 3.157 20 5 DGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccc(C(F)F)cc1 ZINC000776198246 623394914 /nfs/dbraw/zinc/39/49/14/623394914.db2.gz XKEXFUGUZXFRLD-UHFFFAOYSA-N 0 2 308.240 3.490 20 5 DGBDLN C[C@@H](OC(=O)c1cc(F)c(O)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000783959603 624413877 /nfs/dbraw/zinc/41/38/77/624413877.db2.gz NCHIXBQLVQMQPO-MRVPVSSYSA-N 0 2 323.251 3.497 20 5 DGBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(-c2cn(C(F)F)c3ccccc23)no1 ZINC000818429593 628022247 /nfs/dbraw/zinc/02/22/47/628022247.db2.gz VVCKVDOVUFGTIU-LDYMZIIASA-N 0 2 320.255 3.219 20 5 DGBDLN COc1ccc(C(C)(C)C)cc1-c1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC000843027340 630605632 /nfs/dbraw/zinc/60/56/32/630605632.db2.gz HOHKBEMGJOTWFD-ZYHUDNBSSA-N 0 2 317.345 3.175 20 5 DGBDLN Cc1ccc([C@H](C)[NH2+][C@@H](C)c2nc(C(=O)[O-])co2)cc1[N+](=O)[O-] ZINC001600374496 1192839565 /nfs/dbraw/zinc/83/95/65/1192839565.db2.gz YHVIHEKHIDCNSM-UWVGGRQHSA-N 0 2 319.317 3.001 20 5 DGBDLN C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ncc(C(=O)[O-])s1 ZINC001604357688 1193068347 /nfs/dbraw/zinc/06/83/47/1193068347.db2.gz OEOOTSZCQVMGNF-DTWKUNHWSA-N 0 2 321.358 3.161 20 5 DGBDLN CC(C)N(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001360736213 1181631916 /nfs/dbraw/zinc/63/19/16/1181631916.db2.gz VJOUGVFTDARGIA-BXKDBHETSA-N 0 2 317.172 3.400 20 5 DGBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCCc2cc(-c3ccccc3)ccc21 ZINC001435533125 1181823344 /nfs/dbraw/zinc/82/33/44/1181823344.db2.gz BEZFGMMVEFKZFA-SJLPKXTDSA-N 0 2 322.364 3.298 20 5 DGBDLN O=C(NCc1ccc(Cl)cc1F)c1ccc([N+](=O)[O-])cc1O ZINC001467318507 1183254565 /nfs/dbraw/zinc/25/45/65/1183254565.db2.gz PAJRWDNIBGENAP-UHFFFAOYSA-N 0 2 324.695 3.023 20 5 DGBDLN Cc1cc(NC(=O)c2cc(F)c(O)c(F)c2)cc([N+](=O)[O-])c1 ZINC001472374861 1183639517 /nfs/dbraw/zinc/63/95/17/1183639517.db2.gz RFZYKQAZZVLNPA-UHFFFAOYSA-N 0 2 308.240 3.139 20 5 DGBDLN C[C@]1(c2ccccc2)C[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001556081066 1188983100 /nfs/dbraw/zinc/98/31/00/1188983100.db2.gz GNQJBFMOBWRPOP-SUMWQHHRSA-N 0 2 312.325 3.217 20 5 DGBDLN CCc1ccc(F)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001624547273 1194002684 /nfs/dbraw/zinc/00/26/84/1194002684.db2.gz UIWAWDGSNZRKCQ-UHFFFAOYSA-N 0 2 304.277 3.254 20 5 DGBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H](C)c1ccccc1 ZINC001629230052 1194221448 /nfs/dbraw/zinc/22/14/48/1194221448.db2.gz BOEJCSWSOUMFAQ-NEPJUHHUSA-N 0 2 314.341 3.222 20 5 DGBDLN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(F)cc1 ZINC001632489333 1194391659 /nfs/dbraw/zinc/39/16/59/1194391659.db2.gz SBJLOIOGXDGMNS-CQSZACIVSA-N 0 2 318.304 3.321 20 5 DGBDLN Cc1ccc(NC(=O)c2cccc(Cl)c2O)c(N)c1[N+](=O)[O-] ZINC001636724211 1194630703 /nfs/dbraw/zinc/63/07/03/1194630703.db2.gz RPGOFWJNRXIJEF-UHFFFAOYSA-N 0 2 321.720 3.097 20 5 DGBDLN O=C(NCCC1=CCCCCC1)c1ccc([N+](=O)[O-])cc1O ZINC001638250233 1194709033 /nfs/dbraw/zinc/70/90/33/1194709033.db2.gz IZKBZXOLPGQHPL-UHFFFAOYSA-N 0 2 304.346 3.311 20 5 DGBDLN CCc1ccc2c(c1)CCN2C(=O)c1ccc([N+](=O)[O-])cc1O ZINC001648615560 1195315087 /nfs/dbraw/zinc/31/50/87/1195315087.db2.gz BVJOYLSNGOWJSQ-UHFFFAOYSA-N 0 2 312.325 3.066 20 5 DGBDLN C[C@H]1CCC[C@@H](C2CN(C(=O)c3ccc([N+](=O)[O-])cc3O)C2)C1 ZINC001152403174 1087967235 /nfs/dbraw/zinc/96/72/35/1087967235.db2.gz TVEQOVMWLUKJJS-NWDGAFQWSA-N 0 2 318.373 3.199 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCC[C@H]1C1CC1 ZINC001153455042 1088251819 /nfs/dbraw/zinc/25/18/19/1088251819.db2.gz HRATWPOWXGKYHW-QWHCGFSZSA-N 0 2 304.346 3.455 20 5 DGBDLN CC[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC001293536550 1091256216 /nfs/dbraw/zinc/25/62/16/1091256216.db2.gz SOSAUFVLIFLNCY-QGZVFWFLSA-N 0 2 314.341 3.356 20 5 DGBDLN Cc1cncc(-c2noc(-c3ccc(C)c(O)c3[N+](=O)[O-])n2)c1 ZINC001216856607 1094270001 /nfs/dbraw/zinc/27/00/01/1094270001.db2.gz FAOXCJNIMFNWLV-UHFFFAOYSA-N 0 2 312.285 3.029 20 5 DGBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nnc(CSc2ccc(Cl)cc2)o1 ZINC001118424060 1096006033 /nfs/dbraw/zinc/00/60/33/1096006033.db2.gz XNCORQRJGSVVRG-NXEZZACHSA-N 0 2 311.750 3.148 20 5 DGBDLN C[C@@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001228972614 1097230252 /nfs/dbraw/zinc/23/02/52/1097230252.db2.gz AOUNRKPYTCREBF-MRVPVSSYSA-N 0 2 320.257 3.054 20 5 DGBDLN CCCSc1nc(O[C@H](C)C2CCC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229793165 1097387078 /nfs/dbraw/zinc/38/70/78/1097387078.db2.gz XVRQCISBMVFPDO-MRVPVSSYSA-N 0 2 313.379 3.160 20 5 DGBDLN Cc1ccc(-c2nnc(-c3cccc(F)c3)o2)c([N+](=O)[O-])c1O ZINC001254209597 1106035270 /nfs/dbraw/zinc/03/52/70/1106035270.db2.gz PBIQSVUXYFNGIW-UHFFFAOYSA-N 0 2 315.260 3.465 20 5 DGBDLN O=[N+]([O-])c1cc(Cc2nnc(CC3CCCCC3)o2)ccc1O ZINC001257021943 1106525485 /nfs/dbraw/zinc/52/54/85/1106525485.db2.gz FWXNFIMSHPTLKE-UHFFFAOYSA-N 0 2 317.345 3.397 20 5 DGBDLN Cc1ccc2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)c2n1 ZINC000092546072 185325068 /nfs/dbraw/zinc/32/50/68/185325068.db2.gz SPOGVCOBYLXQLP-UHFFFAOYSA-N 0 2 323.308 3.409 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1CCC(F)(F)CC1 ZINC000092546005 185325194 /nfs/dbraw/zinc/32/51/94/185325194.db2.gz HXXJAUGTTYMMSD-UHFFFAOYSA-N 0 2 300.261 3.064 20 5 DGBDLN Cc1ccc2cccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)c2n1 ZINC000067178153 432028277 /nfs/dbraw/zinc/02/82/77/432028277.db2.gz SRPRMRAMGCIARD-UHFFFAOYSA-N 0 2 323.308 3.409 20 5 DGBDLN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000173646173 198235851 /nfs/dbraw/zinc/23/58/51/198235851.db2.gz TYBUYTZVUNCRKY-MDZLAQPJSA-N 0 2 304.346 3.094 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC2(CCCC2)CC1 ZINC000133363170 432061992 /nfs/dbraw/zinc/06/19/92/432061992.db2.gz CZLKAGBBWWJHBW-UHFFFAOYSA-N 0 2 304.346 3.097 20 5 DGBDLN Cc1ccc(CN(C)C(=O)Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000178549998 198886826 /nfs/dbraw/zinc/88/68/26/198886826.db2.gz BQSJAHUPVCPTAC-UHFFFAOYSA-N 0 2 312.369 3.413 20 5 DGBDLN CSC1(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000194621085 201263349 /nfs/dbraw/zinc/26/33/49/201263349.db2.gz ZCXIVCIOMJMULI-UHFFFAOYSA-N 0 2 314.794 3.264 20 5 DGBDLN Cc1cc2cc[nH]c2cc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000444460498 239290267 /nfs/dbraw/zinc/29/02/67/239290267.db2.gz WQIYMDUGSUJYHO-UHFFFAOYSA-N 0 2 311.297 3.342 20 5 DGBDLN CCN(CCc1cccs1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274578081 211730603 /nfs/dbraw/zinc/73/06/03/211730603.db2.gz AZQNLUQHJMTWHG-UHFFFAOYSA-N 0 2 320.370 3.067 20 5 DGBDLN Cc1ccc(F)c(S(=O)(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000135611505 284484569 /nfs/dbraw/zinc/48/45/69/284484569.db2.gz AUVFJVSZVANJIF-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN O=C(Cc1ccccc1Cl)Nc1cc([N+](=O)[O-])ccc1O ZINC000038599914 183003410 /nfs/dbraw/zinc/00/34/10/183003410.db2.gz SKUVNQLVUNEMEK-UHFFFAOYSA-N 0 2 306.705 3.135 20 5 DGBDLN O=C(CSc1ccc(F)cc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000120883321 195257168 /nfs/dbraw/zinc/25/71/68/195257168.db2.gz QHFOYPHGWVVNSK-UHFFFAOYSA-N 0 2 322.317 3.170 20 5 DGBDLN Cc1sc(S(=O)(=O)Nc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000163905201 292872422 /nfs/dbraw/zinc/87/24/22/292872422.db2.gz LCOBZMCXMZYORL-UHFFFAOYSA-N 0 2 312.372 3.074 20 5 DGBDLN CCCC[C@@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000609045504 400137655 /nfs/dbraw/zinc/13/76/55/400137655.db2.gz QQSVUTQIBDEXLM-YPMHNXCESA-N 0 2 306.362 3.389 20 5 DGBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(C2CC2)cc1 ZINC000611305071 400376627 /nfs/dbraw/zinc/37/66/27/400376627.db2.gz JEXQNFPADLBPQD-UHFFFAOYSA-N 0 2 318.354 3.273 20 5 DGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@H](C2CCCCC2)C1 ZINC000598153038 400753131 /nfs/dbraw/zinc/75/31/31/400753131.db2.gz LDMVTWNLUAWZSX-ZDUSSCGKSA-N 0 2 318.373 3.343 20 5 DGBDLN Cc1ccc(F)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000055547460 400876933 /nfs/dbraw/zinc/87/69/33/400876933.db2.gz DOUORRXPCQYMJR-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2O)c2ccccc21 ZINC000613986795 400822915 /nfs/dbraw/zinc/82/29/15/400822915.db2.gz ROVODTAWTCEABN-UHFFFAOYSA-N 0 2 312.325 3.238 20 5 DGBDLN C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599073957 400952501 /nfs/dbraw/zinc/95/25/01/400952501.db2.gz ODQQIYYFMPAQIX-GUYCJALGSA-N 0 2 303.406 3.262 20 5 DGBDLN CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)c1cccc2cccnc21 ZINC000619867584 400910889 /nfs/dbraw/zinc/91/08/89/400910889.db2.gz XLGNXLWICSYRDW-UHFFFAOYSA-N 0 2 323.308 3.125 20 5 DGBDLN CCS[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000078249243 286708762 /nfs/dbraw/zinc/70/87/62/286708762.db2.gz NJUIRXLFJXZPDW-SMDDNHRTSA-N 0 2 324.402 3.095 20 5 DGBDLN CC(C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000182018733 432154804 /nfs/dbraw/zinc/15/48/04/432154804.db2.gz RWJOIDMHDCJECE-GFCCVEGCSA-N 0 2 306.362 3.199 20 5 DGBDLN C[C@H](c1ccccc1F)N(C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000181870246 228364861 /nfs/dbraw/zinc/36/48/61/228364861.db2.gz OADWWBRIHDQMMG-SNVBAGLBSA-N 0 2 318.304 3.273 20 5 DGBDLN Cc1c(Nc2ncc([N+](=O)[O-])cn2)cnn1-c1cc(C)ccc1C ZINC000302204042 230159598 /nfs/dbraw/zinc/15/95/98/230159598.db2.gz CHSLGSOIHZECCB-UHFFFAOYSA-N 0 2 324.344 3.239 20 5 DGBDLN CC(C)Cc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1 ZINC000352015298 264896603 /nfs/dbraw/zinc/89/66/03/264896603.db2.gz XFYOTMVIIKHLTF-BQYQJAHWSA-N 0 2 315.329 3.165 20 5 DGBDLN Cc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000074364670 431415496 /nfs/dbraw/zinc/41/54/96/431415496.db2.gz RAGVYFIUBHEVCF-LLVKDONJSA-N 0 2 300.314 3.100 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(Cl)cc1F ZINC000089531094 431869969 /nfs/dbraw/zinc/86/99/69/431869969.db2.gz VQSZKELOHRBGDP-UHFFFAOYSA-N 0 2 310.668 3.345 20 5 DGBDLN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c2cccnc12 ZINC000183352574 432284472 /nfs/dbraw/zinc/28/44/72/432284472.db2.gz FIIMSJVKXIMFOF-UHFFFAOYSA-N 0 2 323.308 3.409 20 5 DGBDLN CC[C@H](C)[C@@H](C)N(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CC1 ZINC000183573366 432305593 /nfs/dbraw/zinc/30/55/93/432305593.db2.gz VOISTEIBXVAXLK-WDEREUQCSA-N 0 2 306.362 3.340 20 5 DGBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CCc2ccccc21 ZINC000184626359 432414299 /nfs/dbraw/zinc/41/42/99/432414299.db2.gz NSBOKYLUBQBQMC-OAHLLOKOSA-N 0 2 312.325 3.060 20 5 DGBDLN CC[C@H](C)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C(F)(F)F ZINC000277548992 432859737 /nfs/dbraw/zinc/85/97/37/432859737.db2.gz BVSQMVHHKPZKOW-CPCISQLKSA-N 0 2 320.267 3.007 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC=C(c2ccccc2)C1 ZINC000375963838 433630081 /nfs/dbraw/zinc/63/00/81/433630081.db2.gz LMMBJRYVLPEZNH-UHFFFAOYSA-N 0 2 324.336 3.230 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCC(F)(F)C1 ZINC000282420505 433600799 /nfs/dbraw/zinc/60/07/99/433600799.db2.gz INTSFBMZMUQJIZ-MRVPVSSYSA-N 0 2 300.261 3.064 20 5 DGBDLN Cc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1C ZINC000317893354 434205996 /nfs/dbraw/zinc/20/59/96/434205996.db2.gz FUSLUJOOABPIQR-UHFFFAOYSA-N 0 2 300.314 3.098 20 5 DGBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1c(F)cccc1F ZINC000353832404 434467621 /nfs/dbraw/zinc/46/76/21/434467621.db2.gz ZYBSVVPOBKKETL-QMMMGPOBSA-N 0 2 322.267 3.070 20 5 DGBDLN CC(C)[C@@H](CC(F)(F)F)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000438625702 434521167 /nfs/dbraw/zinc/52/11/67/434521167.db2.gz QNLOJYWGPPQMOG-SECBINFHSA-N 0 2 320.267 3.007 20 5 DGBDLN CC(C)C[C@]1(C)CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000452518101 434634950 /nfs/dbraw/zinc/63/49/50/434634950.db2.gz ZVCIEIZGNXWCML-INIZCTEOSA-N 0 2 306.362 3.341 20 5 DGBDLN CCSCCCc1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000445757617 434825100 /nfs/dbraw/zinc/82/51/00/434825100.db2.gz KSCHLCSOUFRVDT-UHFFFAOYSA-N 0 2 309.347 3.036 20 5 DGBDLN CC(=O)c1ccc(O)c(NC(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000446291228 434856929 /nfs/dbraw/zinc/85/69/29/434856929.db2.gz ILVCDTBDDNKKBX-UHFFFAOYSA-N 0 2 314.297 3.064 20 5 DGBDLN COc1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000521717923 434893691 /nfs/dbraw/zinc/89/36/91/434893691.db2.gz XENVUFIZRAUPRF-UHFFFAOYSA-N 0 2 322.704 3.215 20 5 DGBDLN O=[N+]([O-])c1ccc(-c2nc(-c3cc(F)cc(F)c3)no2)cc1O ZINC000445180824 304801571 /nfs/dbraw/zinc/80/15/71/304801571.db2.gz CYZGWXHVJQGCQZ-UHFFFAOYSA-N 0 2 319.223 3.296 20 5 DGBDLN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@H]2CCCC[C@@H]12 ZINC000547859806 314404812 /nfs/dbraw/zinc/40/48/12/314404812.db2.gz QKSVUSXMFRVINE-ZLDLUXBVSA-N 0 2 318.373 3.341 20 5 DGBDLN Cc1cc(-c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)ccc1O ZINC000565872152 315293575 /nfs/dbraw/zinc/29/35/75/315293575.db2.gz MMYFOSZIRMEZIG-UHFFFAOYSA-N 0 2 313.269 3.031 20 5 DGBDLN Cc1ccc(S(=O)(=O)Nc2cc(C)cc(F)c2)c([N+](=O)[O-])c1 ZINC000432193706 534211885 /nfs/dbraw/zinc/21/18/85/534211885.db2.gz AFKYYTPHGUPXCQ-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN CCOc1cc(F)ccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000185224347 528306647 /nfs/dbraw/zinc/30/66/47/528306647.db2.gz IXRKGTGRNYJHLK-UHFFFAOYSA-N 0 2 320.276 3.091 20 5 DGBDLN CCN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]1CCCC[C@H]1C ZINC000181965868 529076317 /nfs/dbraw/zinc/07/63/17/529076317.db2.gz PNCQBNCPPRMUQY-RISCZKNCSA-N 0 2 306.362 3.341 20 5 DGBDLN CC(C)Oc1ccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000776204628 623396253 /nfs/dbraw/zinc/39/62/53/623396253.db2.gz QGKANYGMSTYPFF-UHFFFAOYSA-N 0 2 316.313 3.340 20 5 DGBDLN C[C@H]1c2sccc2CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000882183551 625659581 /nfs/dbraw/zinc/65/95/81/625659581.db2.gz BNOKXIHPDQESEP-VIFPVBQESA-N 0 2 318.354 3.121 20 5 DGBDLN Cc1ccc2c(c1)/C(=C\c1ccc([N+](=O)[O-])c(O)c1)C(=O)N2C ZINC000811700160 627307898 /nfs/dbraw/zinc/30/78/98/627307898.db2.gz GXDMUPLMYDUAAI-MDWZMJQESA-N 0 2 310.309 3.126 20 5 DGBDLN COc1cc(Cl)cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000816054646 627732295 /nfs/dbraw/zinc/73/22/95/627732295.db2.gz KIMHJSFUDHCIOZ-UHFFFAOYSA-N 0 2 322.704 3.215 20 5 DGBDLN CC(C)(C(=O)NOC1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000816211723 627753337 /nfs/dbraw/zinc/75/33/37/627753337.db2.gz OCEGOCYQGVAWCO-UHFFFAOYSA-N 0 2 306.362 3.253 20 5 DGBDLN O=C(NOC1CCCC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000867223116 630230449 /nfs/dbraw/zinc/23/04/49/630230449.db2.gz UDKRIWQAVZLPPI-UHFFFAOYSA-N 0 2 304.346 3.007 20 5 DGBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(CCCc2ccccc2Cl)no1 ZINC000842494682 630541695 /nfs/dbraw/zinc/54/16/95/630541695.db2.gz WRQMTEVITRZAAP-ZYHUDNBSSA-N 0 2 307.737 3.031 20 5 DGBDLN Cc1ccccc1[C@@H](c1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1)C(C)C ZINC000842503230 630542964 /nfs/dbraw/zinc/54/29/64/630542964.db2.gz HTPPRZCDPPRVHA-MCIONIFRSA-N 0 2 301.346 3.299 20 5 DGBDLN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC001440825734 1182048968 /nfs/dbraw/zinc/04/89/68/1182048968.db2.gz NJVUWDHCORNLDX-MRXNPFEDSA-N 0 2 314.341 3.428 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1Cc2ccc(Cl)cc21 ZINC001466629087 1183215161 /nfs/dbraw/zinc/21/51/61/1183215161.db2.gz QGTRQPYGNMPXIB-GFCCVEGCSA-N 0 2 318.716 3.232 20 5 DGBDLN CC(C)(NC(=O)c1ccc([N+](=O)[O-])cc1O)C1CCCCC1 ZINC001611439376 1193433824 /nfs/dbraw/zinc/43/38/24/1193433824.db2.gz XUVRAJVEMJMRFY-UHFFFAOYSA-N 0 2 306.362 3.389 20 5 DGBDLN Cc1cc(NC(=O)c2cc(F)cc(F)c2O)cc([N+](=O)[O-])c1 ZINC001558808381 1189150283 /nfs/dbraw/zinc/15/02/83/1189150283.db2.gz KGYHDGDIJXMFHG-UHFFFAOYSA-N 0 2 308.240 3.139 20 5 DGBDLN Cc1cccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)c1C ZINC001633354911 1194433231 /nfs/dbraw/zinc/43/32/31/1194433231.db2.gz BDPHWEQPOIKUNS-GFCCVEGCSA-N 0 2 314.341 3.408 20 5 DGBDLN CC[C@H]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001637827009 1194688443 /nfs/dbraw/zinc/68/84/43/1194688443.db2.gz QEKPYKWYQWAVGU-NWDGAFQWSA-N 0 2 306.362 3.247 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1-n1cccc1 ZINC001153455938 1088251983 /nfs/dbraw/zinc/25/19/83/1088251983.db2.gz RQMCJBYZRVNHAX-UHFFFAOYSA-N 0 2 323.308 3.343 20 5 DGBDLN CC(C)c1ncsc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001153456312 1088252820 /nfs/dbraw/zinc/25/28/20/1088252820.db2.gz WLCHDHSJTMXRHU-UHFFFAOYSA-N 0 2 307.331 3.133 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCC[C@@H]1C1CC1 ZINC001153455039 1088253619 /nfs/dbraw/zinc/25/36/19/1088253619.db2.gz HRATWPOWXGKYHW-CHWSQXEVSA-N 0 2 304.346 3.455 20 5 DGBDLN CC1CCC(C)(CNC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC001156778095 1089689752 /nfs/dbraw/zinc/68/97/52/1089689752.db2.gz QLFFSUMJDSOWCC-UHFFFAOYSA-N 0 2 306.362 3.247 20 5 DGBDLN O=[N+]([O-])c1cccc(O)c1-c1nc(-c2ncccc2C2CC2)no1 ZINC001216847198 1094270345 /nfs/dbraw/zinc/27/03/45/1094270345.db2.gz VAOYRKBCORXSCE-UHFFFAOYSA-N 0 2 324.296 3.290 20 5 DGBDLN Cc1ccnc(-c2noc(-c3ccc(C)c(O)c3[N+](=O)[O-])n2)c1 ZINC001216856888 1094271448 /nfs/dbraw/zinc/27/14/48/1094271448.db2.gz SPAPGWBXPDRXLC-UHFFFAOYSA-N 0 2 312.285 3.029 20 5 DGBDLN CC(C)Oc1ccc(COc2cccc(O)c2[N+](=O)[O-])cn1 ZINC001225620836 1096486364 /nfs/dbraw/zinc/48/63/64/1096486364.db2.gz WWAMGCZMGZGLAG-UHFFFAOYSA-N 0 2 304.302 3.062 20 5 DGBDLN CCCSc1nc(O[C@@H](C)C2CCC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229793168 1097387407 /nfs/dbraw/zinc/38/74/07/1097387407.db2.gz XVRQCISBMVFPDO-QMMMGPOBSA-N 0 2 313.379 3.160 20 5 DGBDLN O=C([O-])c1cc(Nc2ccccc2-n2cc[nH+]c2)cc([N+](=O)[O-])c1 ZINC001176677573 1098404580 /nfs/dbraw/zinc/40/45/80/1098404580.db2.gz ZIDRNXXWIALCSJ-UHFFFAOYSA-N 0 2 324.296 3.222 20 5 DGBDLN Cc1ccc(-c2noc(Cc3ccc(O)c([N+](=O)[O-])c3)n2)cc1 ZINC001247988271 1105028660 /nfs/dbraw/zinc/02/86/60/1105028660.db2.gz KFYXZGVGGDGRNG-UHFFFAOYSA-N 0 2 311.297 3.250 20 5 DGBDLN Cc1ccc(-c2nnc(-c3c(O)cccc3[N+](=O)[O-])o2)cc1F ZINC001258799017 1106984897 /nfs/dbraw/zinc/98/48/97/1106984897.db2.gz CXHAKJUBBRHOEA-UHFFFAOYSA-N 0 2 315.260 3.465 20 5 DGBDLN O=C(Cc1ccc(F)cc1Cl)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546110 185325114 /nfs/dbraw/zinc/32/51/14/185325114.db2.gz OEQBDRPHBOFXDR-UHFFFAOYSA-N 0 2 324.695 3.274 20 5 DGBDLN C[C@@H](C1CCCCC1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000331322868 295818875 /nfs/dbraw/zinc/81/88/75/295818875.db2.gz LNHSMYLBLIIIPV-NSHDSACASA-N 0 2 306.362 3.341 20 5 DGBDLN Cc1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)c1F ZINC000180464703 432087424 /nfs/dbraw/zinc/08/74/24/432087424.db2.gz WCOLKLQXHOINKY-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN CC(C)(C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccc(F)cc1 ZINC000089531320 283951165 /nfs/dbraw/zinc/95/11/65/283951165.db2.gz POOOLFPBBWXUGT-UHFFFAOYSA-N 0 2 318.304 3.356 20 5 DGBDLN Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(C2CC2)n1 ZINC000455988373 242323161 /nfs/dbraw/zinc/32/31/61/242323161.db2.gz BNXVQTXACLFJJV-UHFFFAOYSA-N 0 2 313.313 3.134 20 5 DGBDLN Cc1cc2cccnc2c(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000119672875 284148194 /nfs/dbraw/zinc/14/81/94/284148194.db2.gz AWDYMUHLISJMJN-UHFFFAOYSA-N 0 2 323.308 3.409 20 5 DGBDLN O=C(Nc1cnc2ccccc2c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000121810953 195353241 /nfs/dbraw/zinc/35/32/41/195353241.db2.gz LQHZXGVCTLUIMN-UHFFFAOYSA-N 0 2 309.281 3.101 20 5 DGBDLN CC(C)(C)c1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cs1 ZINC000356293790 285376267 /nfs/dbraw/zinc/37/62/67/285376267.db2.gz LSOKDXXMHPAVQX-UHFFFAOYSA-N 0 2 321.358 3.307 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(C2CCCC2)CC1 ZINC000610358479 400249764 /nfs/dbraw/zinc/24/97/64/400249764.db2.gz ZZIZLLWHDRQXBH-UHFFFAOYSA-N 0 2 318.373 3.343 20 5 DGBDLN CC(C)[C@H]1CCC2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 ZINC000601933753 400379036 /nfs/dbraw/zinc/37/90/36/400379036.db2.gz HCQAUWGYMBGYDP-FZMZJTMJSA-N 0 2 301.346 3.370 20 5 DGBDLN C[C@H]1CC(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H](C)C1 ZINC000597981014 400711335 /nfs/dbraw/zinc/71/13/35/400711335.db2.gz WZWXTSOTRWIVHH-GHMZBOCLSA-N 0 2 306.362 3.103 20 5 DGBDLN O=c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1-c1cccc(Cl)c1 ZINC000603807798 400717503 /nfs/dbraw/zinc/71/75/03/400717503.db2.gz RNIWMPALJCOOCX-UHFFFAOYSA-N 0 2 315.716 3.389 20 5 DGBDLN Cc1ccc(F)cc1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000055555664 400877707 /nfs/dbraw/zinc/87/77/07/400877707.db2.gz QLFRGANZJFYCRW-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN Cc1cc(F)ccc1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000055564360 400878056 /nfs/dbraw/zinc/87/80/56/400878056.db2.gz OISTXIRFAVPISB-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cccc2cccnc21 ZINC000619867250 400910879 /nfs/dbraw/zinc/91/08/79/400910879.db2.gz NIOVIDFHDGTIOV-UHFFFAOYSA-N 0 2 323.308 3.125 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCC12CCCCC2 ZINC000364879400 287070961 /nfs/dbraw/zinc/07/09/61/287070961.db2.gz DIQUVMXDWPOXRS-UHFFFAOYSA-N 0 2 304.346 3.239 20 5 DGBDLN C[C@H](c1ccccc1F)N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184638074 228385604 /nfs/dbraw/zinc/38/56/04/228385604.db2.gz IACAQCYCRJUKGJ-SNVBAGLBSA-N 0 2 318.304 3.273 20 5 DGBDLN CCSc1cccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c1 ZINC000352012993 264896828 /nfs/dbraw/zinc/89/68/28/264896828.db2.gz FRCRVBCRMUYHHK-SREVYHEPSA-N 0 2 319.342 3.078 20 5 DGBDLN O=C(CCc1cccc(F)c1F)Nc1cc([N+](=O)[O-])ccc1O ZINC000089531831 431869449 /nfs/dbraw/zinc/86/94/49/431869449.db2.gz BQHQBMUKDGHGRW-UHFFFAOYSA-N 0 2 322.267 3.150 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc2ncccc2c1 ZINC000089540923 431869992 /nfs/dbraw/zinc/86/99/92/431869992.db2.gz WBAWCBBVAYNYOF-UHFFFAOYSA-N 0 2 309.281 3.101 20 5 DGBDLN Cc1ccc(F)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000152658521 432346805 /nfs/dbraw/zinc/34/68/05/432346805.db2.gz ZFEUQNXIPCZPDM-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000271353482 432379561 /nfs/dbraw/zinc/37/95/61/432379561.db2.gz YUSOYPDUHVAJPW-CPUCHLNUSA-N 0 2 314.389 3.435 20 5 DGBDLN CC[C@@H](C)[C@H](C)N(C(=O)c1ccc([N+](=O)[O-])cc1O)C1CC1 ZINC000184754755 432429428 /nfs/dbraw/zinc/42/94/28/432429428.db2.gz HRKMQAMDIHELTN-MNOVXSKESA-N 0 2 306.362 3.340 20 5 DGBDLN C[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184791047 432433038 /nfs/dbraw/zinc/43/30/38/432433038.db2.gz ZAPOXSGXSYFBAY-MJVIPROJSA-N 0 2 304.346 3.094 20 5 DGBDLN C[C@H](c1ccco1)N(C(=O)c1ccc([N+](=O)[O-])cc1O)C1CC1 ZINC000184690517 432420418 /nfs/dbraw/zinc/42/04/18/432420418.db2.gz FWLPANXKKFDAOO-SNVBAGLBSA-N 0 2 316.313 3.259 20 5 DGBDLN CCN(CCc1cccs1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000272381883 432492943 /nfs/dbraw/zinc/49/29/43/432492943.db2.gz RQJULQOMOSWJLK-UHFFFAOYSA-N 0 2 320.370 3.067 20 5 DGBDLN COc1c(C)ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1C ZINC000185042952 432460151 /nfs/dbraw/zinc/46/01/51/432460151.db2.gz HBFUHMWVBPUQMM-UHFFFAOYSA-N 0 2 316.313 3.178 20 5 DGBDLN Cc1ccc2c(c1)N(C(=O)c1ccc(O)c([N+](=O)[O-])c1)CCC2 ZINC000186285666 432578536 /nfs/dbraw/zinc/57/85/36/432578536.db2.gz NICREHPZCSYSHF-UHFFFAOYSA-N 0 2 312.325 3.202 20 5 DGBDLN CCOc1cc(F)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000131687926 292660607 /nfs/dbraw/zinc/66/06/07/292660607.db2.gz BXSCEERGLUFDOB-UHFFFAOYSA-N 0 2 320.276 3.091 20 5 DGBDLN CC(C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000159384927 432681219 /nfs/dbraw/zinc/68/12/19/432681219.db2.gz NETQORVCDRGXCQ-GFCCVEGCSA-N 0 2 306.362 3.199 20 5 DGBDLN CCC1(CC)CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000188600087 432734314 /nfs/dbraw/zinc/73/43/14/432734314.db2.gz XNENDKKPXNODSI-UHFFFAOYSA-N 0 2 306.362 3.343 20 5 DGBDLN CC[C@@H](C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C(F)(F)F ZINC000277549003 432859778 /nfs/dbraw/zinc/85/97/78/432859778.db2.gz BVSQMVHHKPZKOW-RDDDGLTNSA-N 0 2 320.267 3.007 20 5 DGBDLN O=[N+]([O-])c1ccc(-c2nc([C@@H]3CCCCS3)no2)cc1O ZINC000277785196 432876019 /nfs/dbraw/zinc/87/60/19/432876019.db2.gz FLQCFZRAPUNOLO-NSHDSACASA-N 0 2 307.331 3.309 20 5 DGBDLN Cc1nc2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)ccc2o1 ZINC000350667666 433246850 /nfs/dbraw/zinc/24/68/50/433246850.db2.gz DDGGBQVGEUOUDN-UHFFFAOYSA-N 0 2 313.269 3.002 20 5 DGBDLN Cc1cscc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000342354261 433635619 /nfs/dbraw/zinc/63/56/19/433635619.db2.gz FXAVKYVMHDSRBT-UHFFFAOYSA-N 0 2 318.401 3.135 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCCC12CCCCC2 ZINC000366893955 293001588 /nfs/dbraw/zinc/00/15/88/293001588.db2.gz CXMLWNLPYVGQSM-UHFFFAOYSA-N 0 2 304.346 3.239 20 5 DGBDLN CC(C)(C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000457080186 433972645 /nfs/dbraw/zinc/97/26/45/433972645.db2.gz MDRFBKSPVIUWAS-NSHDSACASA-N 0 2 306.362 3.199 20 5 DGBDLN CC(C)c1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)n1 ZINC000436705199 434077453 /nfs/dbraw/zinc/07/74/53/434077453.db2.gz QZBFKESJIZEDDQ-UHFFFAOYSA-N 0 2 301.302 3.071 20 5 DGBDLN Cc1cccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2O)c1C ZINC000436803780 434117449 /nfs/dbraw/zinc/11/74/49/434117449.db2.gz RVRATLNENFJOQQ-UHFFFAOYSA-N 0 2 314.341 3.189 20 5 DGBDLN CCc1ccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000509628453 294358505 /nfs/dbraw/zinc/35/85/05/294358505.db2.gz KABDRJTZEBWDPQ-UHFFFAOYSA-N 0 2 320.370 3.266 20 5 DGBDLN CCS[C@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000436867316 434142081 /nfs/dbraw/zinc/14/20/81/434142081.db2.gz CRJDQYKFAWYVBW-JQWIXIFHSA-N 0 2 324.402 3.095 20 5 DGBDLN CC(C)[C@H](CC(F)(F)F)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000438612603 434519493 /nfs/dbraw/zinc/51/94/93/434519493.db2.gz PYHWKESZSOBXIT-JTQLQIEISA-N 0 2 320.267 3.007 20 5 DGBDLN Cc1ccc(F)c(-c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)c1 ZINC000445449447 434800855 /nfs/dbraw/zinc/80/08/55/434800855.db2.gz YRZCJYZIJYGSNE-UHFFFAOYSA-N 0 2 315.260 3.465 20 5 DGBDLN O=[N+]([O-])c1ccc(-c2nc(Cc3ccc(F)cc3)no2)cc1O ZINC000478971825 435315543 /nfs/dbraw/zinc/31/55/43/435315543.db2.gz NZIAXXKOKCPHLO-UHFFFAOYSA-N 0 2 315.260 3.080 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cnc2ccsc2c1 ZINC000537768066 435464915 /nfs/dbraw/zinc/46/49/15/435464915.db2.gz MZJPWFOMIMAFNM-UHFFFAOYSA-N 0 2 315.310 3.162 20 5 DGBDLN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccc(F)c(F)c1 ZINC000538871247 435527333 /nfs/dbraw/zinc/52/73/33/435527333.db2.gz WUWZPUVCRBOHPV-QMMMGPOBSA-N 0 2 322.267 3.321 20 5 DGBDLN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)[C@H]1c1ccccc1 ZINC000179524973 300188912 /nfs/dbraw/zinc/18/89/12/300188912.db2.gz MLNPWVZQYPEQDN-MEDUHNTESA-N 0 2 312.325 3.134 20 5 DGBDLN Cn1ccc2c1cccc2NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000548449315 314448336 /nfs/dbraw/zinc/44/83/36/314448336.db2.gz ZFLJXBVVIHOXBX-UHFFFAOYSA-N 0 2 311.297 3.044 20 5 DGBDLN O=C(Nc1cccc(C(F)F)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000185744545 534333668 /nfs/dbraw/zinc/33/36/68/534333668.db2.gz OZVILUNYAZIEJF-UHFFFAOYSA-N 0 2 308.240 3.490 20 5 DGBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(-c2ccc(F)cc2C(F)(F)F)no1 ZINC000841739227 619113298 /nfs/dbraw/zinc/11/32/98/619113298.db2.gz DKKMAMVGXCISNP-VXNVDRBHSA-N 0 2 317.198 3.027 20 5 DGBDLN C/C(=C\C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1cccc(F)c1 ZINC000765421169 622264492 /nfs/dbraw/zinc/26/44/92/622264492.db2.gz RECZHERCEYEOEH-JXMROGBWSA-N 0 2 316.288 3.482 20 5 DGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cccc2cnccc21 ZINC000776200244 623395825 /nfs/dbraw/zinc/39/58/25/623395825.db2.gz RUZPQWKQXZKIFQ-UHFFFAOYSA-N 0 2 309.281 3.101 20 5 DGBDLN O=C(C[C@H]1CCC(F)(F)C1)Nc1cc([N+](=O)[O-])ccc1O ZINC000797958856 626184586 /nfs/dbraw/zinc/18/45/86/626184586.db2.gz UPYLIPWHQJQNDN-MRVPVSSYSA-N 0 2 300.261 3.064 20 5 DGBDLN Cc1cc2c(cc1C)N(C(=O)c1cc(O)ccc1[N+](=O)[O-])CC2 ZINC000804320461 626669005 /nfs/dbraw/zinc/66/90/05/626669005.db2.gz RDVXQWUCGQUROP-UHFFFAOYSA-N 0 2 312.325 3.120 20 5 DGBDLN CCCCCCO[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000840405020 628273268 /nfs/dbraw/zinc/27/32/68/628273268.db2.gz IGMLUESFFDSPPV-LLVKDONJSA-N 0 2 310.350 3.224 20 5 DGBDLN C[C@]1(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CC1(Cl)Cl ZINC000828248468 629037654 /nfs/dbraw/zinc/03/76/54/629037654.db2.gz HLKPYEUNZWPINB-NSHDSACASA-N 0 2 319.144 3.213 20 5 DGBDLN Cc1ccccc1[C@H](C(=O)[O-])[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001600566496 1192875634 /nfs/dbraw/zinc/87/56/34/1192875634.db2.gz CUXORXARISVXJV-MRXNPFEDSA-N 0 2 314.341 3.161 20 5 DGBDLN Cc1ccccc1[C@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001600566496 1192875641 /nfs/dbraw/zinc/87/56/41/1192875641.db2.gz CUXORXARISVXJV-MRXNPFEDSA-N 0 2 314.341 3.161 20 5 DGBDLN O=C(CCCc1ccc(F)cc1)Nc1cc([N+](=O)[O-])ccc1O ZINC001447262526 1182185818 /nfs/dbraw/zinc/18/58/18/1182185818.db2.gz IYFGLFHRGZLVTG-UHFFFAOYSA-N 0 2 318.304 3.401 20 5 DGBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@@H](c2ccccc2)c2ccccc21 ZINC001462102721 1182908779 /nfs/dbraw/zinc/90/87/79/1182908779.db2.gz NCUNRRUAIPPLHR-YXJHDRRASA-N 0 2 322.364 3.220 20 5 DGBDLN CC(=O)c1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)ccc1C ZINC001570819047 1190957979 /nfs/dbraw/zinc/95/79/79/1190957979.db2.gz HTZWLYPLVWNPPF-UHFFFAOYSA-N 0 2 314.297 3.064 20 5 DGBDLN CON(C[C@@H]1CCC[C@H](C)C1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC001625466221 1194052728 /nfs/dbraw/zinc/05/27/28/1194052728.db2.gz DISUAEUPVNHGEJ-NWDGAFQWSA-N 0 2 322.361 3.130 20 5 DGBDLN O=C(NCc1cccc2ccccc21)c1ccc([N+](=O)[O-])cc1O ZINC001627446890 1194129010 /nfs/dbraw/zinc/12/90/10/1194129010.db2.gz QANLYCCPZWAGAI-UHFFFAOYSA-N 0 2 322.320 3.384 20 5 DGBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@H](C)c1ccccc1 ZINC001629230053 1194221277 /nfs/dbraw/zinc/22/12/77/1194221277.db2.gz BOEJCSWSOUMFAQ-NWDGAFQWSA-N 0 2 314.341 3.222 20 5 DGBDLN CCc1cccc(N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC001629430309 1194233398 /nfs/dbraw/zinc/23/33/98/1194233398.db2.gz QBUNLIBJKFGCOI-UHFFFAOYSA-N 0 2 300.314 3.139 20 5 DGBDLN CC(C)(NC(=O)c1ccc([N+](=O)[O-])cc1O)c1cccc(F)c1 ZINC001633568323 1194442974 /nfs/dbraw/zinc/44/29/74/1194442974.db2.gz OTFRLPDAVMKZSE-UHFFFAOYSA-N 0 2 318.304 3.105 20 5 DGBDLN O=C(NCCCCC1CCCC1)c1ccc([N+](=O)[O-])cc1O ZINC001634563597 1194502029 /nfs/dbraw/zinc/50/20/29/1194502029.db2.gz MXEJMRANHBMBEZ-UHFFFAOYSA-N 0 2 306.362 3.391 20 5 DGBDLN Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC001637881581 1194691276 /nfs/dbraw/zinc/69/12/76/1194691276.db2.gz JMNFNARUFDCOHT-UONOGXRCSA-N 0 2 312.325 3.351 20 5 DGBDLN Cc1c(F)cccc1-c1noc(-c2cc(O)ccc2[N+](=O)[O-])n1 ZINC001216678658 1094247722 /nfs/dbraw/zinc/24/77/22/1094247722.db2.gz PQRAFBWSCMSWGU-UHFFFAOYSA-N 0 2 315.260 3.465 20 5 DGBDLN CC(C)Oc1cc(COc2cccc(O)c2[N+](=O)[O-])ccn1 ZINC001225625689 1096487940 /nfs/dbraw/zinc/48/79/40/1096487940.db2.gz LXDDWLVQUXOAED-UHFFFAOYSA-N 0 2 304.302 3.062 20 5 DGBDLN Cc1cccc2c1[C@@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])CC2 ZINC001228967810 1097228752 /nfs/dbraw/zinc/22/87/52/1097228752.db2.gz BSWNJZMBRBFUKI-ZDUSSCGKSA-N 0 2 301.298 3.381 20 5 DGBDLN Cc1ccc2c(c1)[C@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])CC2 ZINC001228968830 1097228805 /nfs/dbraw/zinc/22/88/05/1097228805.db2.gz RAILJGHJJXPQMC-CQSZACIVSA-N 0 2 301.298 3.381 20 5 DGBDLN C[C@@H](CCc1ccccc1)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228971601 1097229238 /nfs/dbraw/zinc/22/92/38/1097229238.db2.gz QRPKGALGUZMZJD-NSHDSACASA-N 0 2 303.314 3.406 20 5 DGBDLN CCCSc1nc(O[C@@H]2C=CCCC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229790780 1097387178 /nfs/dbraw/zinc/38/71/78/1097387178.db2.gz DIWCSKADWKRGFG-SECBINFHSA-N 0 2 311.363 3.080 20 5 DGBDLN CCc1[nH+]ccc(C)c1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176678074 1098404598 /nfs/dbraw/zinc/40/45/98/1098404598.db2.gz KOGUWILRSFCANV-UHFFFAOYSA-N 0 2 301.302 3.302 20 5 DGBDLN O=[N+]([O-])c1ccc(O)c(-c2nc3c(ccc4ncccc34)[nH]2)c1 ZINC001251046429 1105623849 /nfs/dbraw/zinc/62/38/49/1105623849.db2.gz RZRJBGLWKYCCSU-UHFFFAOYSA-N 0 2 306.281 3.392 20 5 DGBDLN COc1cc(O)c(-c2nc3c(ccc(C)c3F)[nH]2)cc1[N+](=O)[O-] ZINC001251778765 1105694715 /nfs/dbraw/zinc/69/47/15/1105694715.db2.gz PVXVNECUDFSWHO-UHFFFAOYSA-N 0 2 317.276 3.300 20 5 DGBDLN O=[N+]([O-])c1cccc(O)c1-c1nnc(-c2cccc(F)c2)o1 ZINC001254209600 1106035557 /nfs/dbraw/zinc/03/55/57/1106035557.db2.gz PHTMGADXYUHVGE-UHFFFAOYSA-N 0 2 301.233 3.157 20 5 DGBDLN O=[N+]([O-])c1ccc(-c2nnc(CC3CCCCC3)o2)c(O)c1 ZINC001257071825 1106534050 /nfs/dbraw/zinc/53/40/50/1106534050.db2.gz DMLQUBWVVBREII-UHFFFAOYSA-N 0 2 303.318 3.473 20 5 DGBDLN Cc1ccc(-c2nnc(CC3CCCC3)o2)c([N+](=O)[O-])c1O ZINC001258695359 1106913124 /nfs/dbraw/zinc/91/31/24/1106913124.db2.gz KZACBKVPAPFZNT-UHFFFAOYSA-N 0 2 303.318 3.392 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1(Cc2ccccc2)CC1 ZINC000092546083 185325123 /nfs/dbraw/zinc/32/51/23/185325123.db2.gz ZGOSILUNGXMDAC-UHFFFAOYSA-N 0 2 312.325 3.262 20 5 DGBDLN Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546690 185325276 /nfs/dbraw/zinc/32/52/76/185325276.db2.gz LGRXCXGQAKNKSY-QWRGUYRKSA-N 0 2 318.354 3.413 20 5 DGBDLN CN(CCC1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179470388 529877326 /nfs/dbraw/zinc/87/73/26/529877326.db2.gz QSYFKBJZGTVZGZ-UHFFFAOYSA-N 0 2 306.362 3.343 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000089531259 303998617 /nfs/dbraw/zinc/99/86/17/303998617.db2.gz DPDNPKNDCAICFL-CHWSQXEVSA-N 0 2 316.288 3.182 20 5 DGBDLN O=C(Nc1cccc2cnccc21)c1ccc([N+](=O)[O-])c(O)c1 ZINC000021219580 304007667 /nfs/dbraw/zinc/00/76/67/304007667.db2.gz PXYPALQPIRTISD-UHFFFAOYSA-N 0 2 309.281 3.101 20 5 DGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@@H]1c1ccccc1 ZINC000179403167 432057636 /nfs/dbraw/zinc/05/76/36/432057636.db2.gz AHMDLCAXAVDQQT-OAHLLOKOSA-N 0 2 312.325 3.278 20 5 DGBDLN COc1cccc([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000180767341 432099174 /nfs/dbraw/zinc/09/91/74/432099174.db2.gz DLLAHMRGWPPSDN-JTQLQIEISA-N 0 2 316.313 3.051 20 5 DGBDLN Cc1cc2cc[nH]c2cc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000444447637 239289865 /nfs/dbraw/zinc/28/98/65/239289865.db2.gz JAQLXWCYKCWOJX-UHFFFAOYSA-N 0 2 311.297 3.342 20 5 DGBDLN Cc1cc(F)ccc1-c1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000445229194 239394718 /nfs/dbraw/zinc/39/47/18/239394718.db2.gz QPBWFABPRWNBAG-UHFFFAOYSA-N 0 2 315.260 3.465 20 5 DGBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H](C)c1ccccc1 ZINC000080102335 283893630 /nfs/dbraw/zinc/89/36/30/283893630.db2.gz AUSUWMZMQXBIMM-NEPJUHHUSA-N 0 2 314.341 3.222 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CSc2ccccc21 ZINC000135342402 432114126 /nfs/dbraw/zinc/11/41/26/432114126.db2.gz DLQRHNDCVVAYII-NSHDSACASA-N 0 2 316.338 3.128 20 5 DGBDLN CN(CCC1CCCCC1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000101680547 193834941 /nfs/dbraw/zinc/83/49/41/193834941.db2.gz AKFYGEXFAUSLEU-UHFFFAOYSA-N 0 2 306.362 3.343 20 5 DGBDLN O=C(Cc1ccc(Cl)c(F)c1)Nc1cc([N+](=O)[O-])ccc1O ZINC000344545153 254281647 /nfs/dbraw/zinc/28/16/47/254281647.db2.gz QEUGIOGSBUMZCI-UHFFFAOYSA-N 0 2 324.695 3.274 20 5 DGBDLN CCC(CC)n1nccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092550128 400181571 /nfs/dbraw/zinc/18/15/71/400181571.db2.gz WJEFRFMTMSPKOJ-UHFFFAOYSA-N 0 2 318.333 3.110 20 5 DGBDLN C[C@@H](CN(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1 ZINC000067178107 400151041 /nfs/dbraw/zinc/15/10/41/400151041.db2.gz YUVLKFXHJPMEQP-LBPRGKRZSA-N 0 2 314.341 3.176 20 5 DGBDLN CCCCC1=NN(c2ccc([N+](=O)[O-])cc2OC)C(=O)[C@@H]1C ZINC000601936869 400379653 /nfs/dbraw/zinc/37/96/53/400379653.db2.gz WMIBAVLEROMETI-SNVBAGLBSA-N 0 2 305.334 3.132 20 5 DGBDLN COC1(c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)CCCCC1 ZINC000453248197 292150526 /nfs/dbraw/zinc/15/05/26/292150526.db2.gz XKTOVVOUPWXQPM-UHFFFAOYSA-N 0 2 319.317 3.156 20 5 DGBDLN Cc1ccc(S(=O)(=O)Nc2cccc(F)c2C)c([N+](=O)[O-])c1 ZINC000075082495 400558724 /nfs/dbraw/zinc/55/87/24/400558724.db2.gz ANEXBOPAPKKFAT-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCC[C@@H]1CC1CCC1 ZINC000598462882 400816742 /nfs/dbraw/zinc/81/67/42/400816742.db2.gz SRPADHTWRFJCCH-CYBMUJFWSA-N 0 2 318.373 3.485 20 5 DGBDLN CCC1(CC)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000598216185 400762030 /nfs/dbraw/zinc/76/20/30/400762030.db2.gz OSKIMKXOVCELEJ-UHFFFAOYSA-N 0 2 306.362 3.343 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCCc2sccc21 ZINC000619557983 400866955 /nfs/dbraw/zinc/86/69/55/400866955.db2.gz VJPFKWAVXNGEAZ-UHFFFAOYSA-N 0 2 318.354 3.345 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N(CC1CCCCC1)C1CC1 ZINC000080445247 400953422 /nfs/dbraw/zinc/95/34/22/400953422.db2.gz WLADSAGCWQXDAQ-UHFFFAOYSA-N 0 2 318.373 3.485 20 5 DGBDLN CC[C@H](C)n1ncc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1C ZINC000361312428 286649306 /nfs/dbraw/zinc/64/93/06/286649306.db2.gz SZVJGBDGCYUREG-VIFPVBQESA-N 0 2 318.333 3.029 20 5 DGBDLN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NOC1CCCC1 ZINC000271639240 209083153 /nfs/dbraw/zinc/08/31/53/209083153.db2.gz CHEHECMLXUBLJW-SNVBAGLBSA-N 0 2 310.375 3.066 20 5 DGBDLN Cc1ccc([C@@H](C)N(C)C(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000181871538 228364686 /nfs/dbraw/zinc/36/46/86/228364686.db2.gz HNGBAUQACYWOJA-GFCCVEGCSA-N 0 2 314.341 3.442 20 5 DGBDLN Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000351401037 264700582 /nfs/dbraw/zinc/70/05/82/264700582.db2.gz SRRFHMIGUDUGDD-CQSZACIVSA-N 0 2 312.325 3.026 20 5 DGBDLN CC(C)C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000188069093 279020666 /nfs/dbraw/zinc/02/06/66/279020666.db2.gz MRSNDJYROYNZKD-LBPRGKRZSA-N 0 2 306.362 3.341 20 5 DGBDLN CC(C)(C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000089531272 431869537 /nfs/dbraw/zinc/86/95/37/431869537.db2.gz FTKCRXKBOODJNQ-UHFFFAOYSA-N 0 2 300.314 3.217 20 5 DGBDLN CSc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000092546380 431909754 /nfs/dbraw/zinc/90/97/54/431909754.db2.gz CQXMPBLDCHBYMJ-UHFFFAOYSA-N 0 2 304.327 3.275 20 5 DGBDLN CCC[C@@]1(C)CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000173246488 432266745 /nfs/dbraw/zinc/26/67/45/432266745.db2.gz VMOHLBIPYSGUHR-INIZCTEOSA-N 0 2 306.362 3.343 20 5 DGBDLN CC(C)c1cnc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)s1 ZINC000174392859 432343094 /nfs/dbraw/zinc/34/30/94/432343094.db2.gz AMAVTDBXQQGXMR-UHFFFAOYSA-N 0 2 307.331 3.133 20 5 DGBDLN CC[C@@H](C)[C@H](C)N(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CC1 ZINC000183573379 432304817 /nfs/dbraw/zinc/30/48/17/432304817.db2.gz VOISTEIBXVAXLK-MNOVXSKESA-N 0 2 306.362 3.340 20 5 DGBDLN COc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1F ZINC000186072584 432556750 /nfs/dbraw/zinc/55/67/50/432556750.db2.gz HIURLHZQKXOVLR-UHFFFAOYSA-N 0 2 320.276 3.009 20 5 DGBDLN CCC[C@H](C)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000156114571 292724245 /nfs/dbraw/zinc/72/42/45/292724245.db2.gz DEBNIIKXZLJDDI-AAEUAGOBSA-N 0 2 306.362 3.341 20 5 DGBDLN CC[C@H](C)n1ncc(Nc2ncc([N+](=O)[O-])cn2)c1C1CC1 ZINC000354570965 433155384 /nfs/dbraw/zinc/15/53/84/433155384.db2.gz PDKVSCDAGUJVDW-VIFPVBQESA-N 0 2 302.338 3.173 20 5 DGBDLN CC(C)c1cccnc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000337583148 433244898 /nfs/dbraw/zinc/24/48/98/433244898.db2.gz CMTPVSAUBUCJMB-UHFFFAOYSA-N 0 2 301.302 3.071 20 5 DGBDLN Cc1nc(C(C)C)ccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000293418137 433732115 /nfs/dbraw/zinc/73/21/15/433732115.db2.gz KSQJWNXAEZHIPC-UHFFFAOYSA-N 0 2 315.329 3.380 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC=C(c2ccccc2)C1 ZINC000375992149 293599317 /nfs/dbraw/zinc/59/93/17/293599317.db2.gz NDKAIQGWIZASPW-UHFFFAOYSA-N 0 2 324.336 3.230 20 5 DGBDLN CCCc1nc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2O)s1 ZINC000436677726 434058788 /nfs/dbraw/zinc/05/87/88/434058788.db2.gz FAGFVWWXUUHJCY-UHFFFAOYSA-N 0 2 321.358 3.270 20 5 DGBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1c(F)cccc1F ZINC000436950915 434181760 /nfs/dbraw/zinc/18/17/60/434181760.db2.gz XGQDJRCNWLPAKQ-QMMMGPOBSA-N 0 2 322.267 3.070 20 5 DGBDLN O=C(N[C@H](c1cccs1)C1CC1)c1cc([N+](=O)[O-])ccc1O ZINC000436953420 434184303 /nfs/dbraw/zinc/18/43/03/434184303.db2.gz PFVQKTKJKQLVHX-AWEZNQCLSA-N 0 2 318.354 3.243 20 5 DGBDLN CC[C@@H](C)n1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1C ZINC000437001293 434202770 /nfs/dbraw/zinc/20/27/70/434202770.db2.gz COQFGYVQTFUFOD-SECBINFHSA-N 0 2 318.333 3.029 20 5 DGBDLN C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1 ZINC000324159751 434273300 /nfs/dbraw/zinc/27/33/00/434273300.db2.gz CREFJIUUCFOFJX-LBPRGKRZSA-N 0 2 314.341 3.224 20 5 DGBDLN CC(C)C[C@@]1(C)CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000452518102 434634913 /nfs/dbraw/zinc/63/49/13/434634913.db2.gz ZVCIEIZGNXWCML-MRXNPFEDSA-N 0 2 306.362 3.341 20 5 DGBDLN O=[N+]([O-])c1ccc(-c2nc(-c3ccc4[nH]ccc4c3)no2)cc1O ZINC000445208311 434790592 /nfs/dbraw/zinc/79/05/92/434790592.db2.gz XFVXOALAACTASP-UHFFFAOYSA-N 0 2 322.280 3.499 20 5 DGBDLN O=[N+]([O-])c1ccc(-c2nc(-c3ccc4cc[nH]c4c3)no2)cc1O ZINC000445213905 434790887 /nfs/dbraw/zinc/79/08/87/434790887.db2.gz QNKSBEDLCXREMQ-UHFFFAOYSA-N 0 2 322.280 3.499 20 5 DGBDLN CCN(Cc1ccc(C)cc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000531681036 435108933 /nfs/dbraw/zinc/10/89/33/435108933.db2.gz SPNLWFLVGQCSRK-UHFFFAOYSA-N 0 2 314.341 3.271 20 5 DGBDLN O=C([O-])c1coc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000572370064 435816545 /nfs/dbraw/zinc/81/65/45/435816545.db2.gz CSQFFIIHVOCFEC-UHFFFAOYSA-N 0 2 316.313 3.051 20 5 DGBDLN O=C([O-])c1coc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000572370064 435816551 /nfs/dbraw/zinc/81/65/51/435816551.db2.gz CSQFFIIHVOCFEC-UHFFFAOYSA-N 0 2 316.313 3.051 20 5 DGBDLN O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000332592049 303889050 /nfs/dbraw/zinc/88/90/50/303889050.db2.gz JUIKAOLMHCNSKR-RWMBFGLXSA-N 0 2 318.373 3.389 20 5 DGBDLN C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)[C@@H]2CCCC[C@@H]12 ZINC000565557953 315270531 /nfs/dbraw/zinc/27/05/31/315270531.db2.gz ZQRHMPNHQXXKBF-OSAQELSMSA-N 0 2 318.373 3.341 20 5 DGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCSC12CCCCC2 ZINC000570651633 315664284 /nfs/dbraw/zinc/66/42/84/315664284.db2.gz PPQPQYWSZMXRRB-UHFFFAOYSA-N 0 2 322.386 3.150 20 5 DGBDLN CCS[C@H]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000158072083 521732771 /nfs/dbraw/zinc/73/27/71/521732771.db2.gz BQCDBLCURAXZPQ-JQWIXIFHSA-N 0 2 324.402 3.047 20 5 DGBDLN CCN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCC[C@H]1C ZINC000181965847 529075505 /nfs/dbraw/zinc/07/55/05/529075505.db2.gz PNCQBNCPPRMUQY-BXUZGUMPSA-N 0 2 306.362 3.341 20 5 DGBDLN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736716473 574803815 /nfs/dbraw/zinc/80/38/15/574803815.db2.gz HQCAJIIVDREMRS-NSHDSACASA-N 0 2 312.325 3.370 20 5 DGBDLN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736716473 574803816 /nfs/dbraw/zinc/80/38/16/574803816.db2.gz HQCAJIIVDREMRS-NSHDSACASA-N 0 2 312.325 3.370 20 5 DGBDLN O=C1Nc2ccc(Cl)cc2/C1=C/c1ccc([N+](=O)[O-])c(O)c1 ZINC000748147601 575564109 /nfs/dbraw/zinc/56/41/09/575564109.db2.gz HVODSYHHDMQGTD-WZUFQYTHSA-N 0 2 316.700 3.447 20 5 DGBDLN C[C@@H](OC(=O)c1cc(F)c(O)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000759543125 621869987 /nfs/dbraw/zinc/86/99/87/621869987.db2.gz YNGYEUFPXUPBEO-MRVPVSSYSA-N 0 2 323.251 3.497 20 5 DGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccc2ccccc2c1O ZINC000776204693 623395713 /nfs/dbraw/zinc/39/57/13/623395713.db2.gz QPACDOHLRPUKML-UHFFFAOYSA-N 0 2 324.292 3.412 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000882746509 625805283 /nfs/dbraw/zinc/80/52/83/625805283.db2.gz JNNGRLUTEVXXNU-ZBEGNZNMSA-N 0 2 324.336 3.375 20 5 DGBDLN Cc1ccc2c(c1)/C(=C\c1ccc(O)c([N+](=O)[O-])c1)C(=O)N2C ZINC000811698346 627307123 /nfs/dbraw/zinc/30/71/23/627307123.db2.gz KAQFFSXJNBUPDQ-MDWZMJQESA-N 0 2 310.309 3.126 20 5 DGBDLN CSc1ccc(-c2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)c(Cl)c1 ZINC000842493780 630541451 /nfs/dbraw/zinc/54/14/51/630541451.db2.gz DEMHZMUUKYOISX-PSASIEDQSA-N 0 2 311.750 3.245 20 5 DGBDLN Cc1cccc([C@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC001586649295 1192341025 /nfs/dbraw/zinc/34/10/25/1192341025.db2.gz KJGZGNWYPIAXNR-GFCCVEGCSA-N 0 2 314.341 3.142 20 5 DGBDLN Cc1ccc([C@@H](C)[NH2+][C@H](C)c2nc(C(=O)[O-])co2)cc1[N+](=O)[O-] ZINC001600374495 1192839738 /nfs/dbraw/zinc/83/97/38/1192839738.db2.gz YHVIHEKHIDCNSM-NXEZZACHSA-N 0 2 319.317 3.001 20 5 DGBDLN CC(C)(Nc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001447265465 1182185068 /nfs/dbraw/zinc/18/50/68/1182185068.db2.gz MADXSHWMRPEQBJ-UHFFFAOYSA-N 0 2 315.329 3.130 20 5 DGBDLN CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc2c(c1)oc1ccccc12 ZINC001526385751 1187364100 /nfs/dbraw/zinc/36/41/00/1187364100.db2.gz JGCIXHZKLXATJO-ZIAGYGMSSA-N 0 2 310.309 3.214 20 5 DGBDLN CC[C@H](C)CONC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001556804072 1189021478 /nfs/dbraw/zinc/02/14/78/1189021478.db2.gz TWBDRCAFCRFJIC-LBPRGKRZSA-N 0 2 306.362 3.110 20 5 DGBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(Cl)cc1 ZINC001570154611 1190803745 /nfs/dbraw/zinc/80/37/45/1190803745.db2.gz PRRYACURQWHWLS-SECBINFHSA-N 0 2 320.732 3.445 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H](C2CCC2)CC1 ZINC001632861762 1194409426 /nfs/dbraw/zinc/40/94/26/1194409426.db2.gz IFWITBOWTMZCRD-CYBMUJFWSA-N 0 2 318.373 3.343 20 5 DGBDLN C[C@@H]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H]1C ZINC001634331147 1194488198 /nfs/dbraw/zinc/48/81/98/1194488198.db2.gz YQPBCHHAJYERLA-IJLUTSLNSA-N 0 2 306.362 3.103 20 5 DGBDLN C[C@H]1CC[C@@](C)(CNC(=O)c2ccc([N+](=O)[O-])cc2O)C1(C)C ZINC001641066620 1194837862 /nfs/dbraw/zinc/83/78/62/1194837862.db2.gz AKTACUQUOSOOBF-GTNSWQLSSA-N 0 2 320.389 3.493 20 5 DGBDLN CC(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cn1 ZINC001652387071 1195590780 /nfs/dbraw/zinc/59/07/80/1195590780.db2.gz RXEHMBXYBKLWOC-UHFFFAOYSA-N 0 2 301.302 3.071 20 5 DGBDLN O=C(N[C@@H]1CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1O ZINC001653209260 1195698933 /nfs/dbraw/zinc/69/89/33/1195698933.db2.gz XRVZZVSRYAZFSZ-OAHLLOKOSA-N 0 2 312.325 3.108 20 5 DGBDLN C[C@@]1(C2CCCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC001152944545 1088119129 /nfs/dbraw/zinc/11/91/29/1088119129.db2.gz VUQMIWPOOQISGC-KRWDZBQOSA-N 0 2 318.373 3.485 20 5 DGBDLN C[C@H](NC(=O)c1c(O)cc(F)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC001649031265 1088494130 /nfs/dbraw/zinc/49/41/30/1088494130.db2.gz VVHFLMKHLFCXCL-QMMMGPOBSA-N 0 2 322.267 3.070 20 5 DGBDLN COc1ccccc1-c1noc(-c2cc(O)ccc2[N+](=O)[O-])n1 ZINC001216678675 1094247573 /nfs/dbraw/zinc/24/75/73/1094247573.db2.gz QERHOUXLDXQHOJ-UHFFFAOYSA-N 0 2 313.269 3.026 20 5 DGBDLN Cc1ccc(-c2noc(-c3ccc(C)c(O)c3[N+](=O)[O-])n2)nc1 ZINC001216856715 1094270188 /nfs/dbraw/zinc/27/01/88/1094270188.db2.gz KDAUKWAWABRWPJ-UHFFFAOYSA-N 0 2 312.285 3.029 20 5 DGBDLN CCCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC001136200607 1094942501 /nfs/dbraw/zinc/94/25/01/1094942501.db2.gz DNUFFGHOVQBUQD-UHFFFAOYSA-N 0 2 316.313 3.342 20 5 DGBDLN Cc1cccc2c1CC[C@@H]2NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001136713354 1095132572 /nfs/dbraw/zinc/13/25/72/1095132572.db2.gz BGPSDOFIBFXLIV-HNNXBMFYSA-N 0 2 312.325 3.026 20 5 DGBDLN CCC[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001143918356 1095438819 /nfs/dbraw/zinc/43/88/19/1095438819.db2.gz SOPIXVPJQLQAPP-BXUZGUMPSA-N 0 2 306.362 3.389 20 5 DGBDLN Cc1cccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC001137765340 1095736135 /nfs/dbraw/zinc/73/61/35/1095736135.db2.gz UIJDTZNCUOZIOS-NSHDSACASA-N 0 2 300.314 3.100 20 5 DGBDLN Cc1cc(C)cc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC001144691840 1095760756 /nfs/dbraw/zinc/76/07/56/1095760756.db2.gz ABBRFPLOZDWWKS-LBPRGKRZSA-N 0 2 314.341 3.408 20 5 DGBDLN Cc1cc(F)cc(C)c1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001138013008 1095834732 /nfs/dbraw/zinc/83/47/32/1095834732.db2.gz AVHKRPBEAWXBQQ-UHFFFAOYSA-N 0 2 304.277 3.309 20 5 DGBDLN O=[N+]([O-])c1c(O)cccc1O[C@@H]1CCCN(c2ccccc2)C1 ZINC001225619592 1096485175 /nfs/dbraw/zinc/48/51/75/1096485175.db2.gz DLDKTCMLWJYKPC-CQSZACIVSA-N 0 2 314.341 3.348 20 5 DGBDLN Cc1ccc(OC[C@@H](C)Oc2cccc(O)c2[N+](=O)[O-])cc1 ZINC001225621031 1096486447 /nfs/dbraw/zinc/48/64/47/1096486447.db2.gz ZQBORBZEGPEISY-GFCCVEGCSA-N 0 2 303.314 3.455 20 5 DGBDLN CC(C)C[C@@H](Oc1cccc(O)c1[N+](=O)[O-])C(=O)OC(C)C ZINC001225623800 1096487901 /nfs/dbraw/zinc/48/79/01/1096487901.db2.gz SUXQPVIAGSYIOH-CYBMUJFWSA-N 0 2 311.334 3.046 20 5 DGBDLN Cc1cc2nc3nc(=O)[nH]c(OC4CCCC4)c3nc2cc1C ZINC001228687505 1097167985 /nfs/dbraw/zinc/16/79/85/1097167985.db2.gz XPOHEINVEOXAAX-UHFFFAOYSA-N 0 2 310.357 3.217 20 5 DGBDLN CC(C)C[C@@H](C)OCCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092547476 185325180 /nfs/dbraw/zinc/32/51/80/185325180.db2.gz MSYLNTRAFVSMGT-LLVKDONJSA-N 0 2 310.350 3.080 20 5 DGBDLN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1F ZINC000092546196 185325215 /nfs/dbraw/zinc/32/52/15/185325215.db2.gz FLFLKZXUDKSZGR-VIFPVBQESA-N 0 2 304.277 3.182 20 5 DGBDLN CCCc1nc(C)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)s1 ZINC000092546047 185325270 /nfs/dbraw/zinc/32/52/70/185325270.db2.gz XWRBYVKUZFUNBJ-UHFFFAOYSA-N 0 2 321.358 3.270 20 5 DGBDLN O=C(Nc1ccc2ccccc2n1)c1ccc([N+](=O)[O-])cc1O ZINC000436971521 304005133 /nfs/dbraw/zinc/00/51/33/304005133.db2.gz JOTQDZXDPZIWPS-UHFFFAOYSA-N 0 2 309.281 3.101 20 5 DGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@H]1C1CCCC1 ZINC000179445202 199035906 /nfs/dbraw/zinc/03/59/06/199035906.db2.gz YMFYTWRYGZAIDV-AWEZNQCLSA-N 0 2 304.346 3.095 20 5 DGBDLN CCN(Cc1cccs1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000070887658 283739715 /nfs/dbraw/zinc/73/97/15/283739715.db2.gz KPGGXSXKTLVEQP-UHFFFAOYSA-N 0 2 306.343 3.024 20 5 DGBDLN COc1ccccc1-c1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000189929186 432105529 /nfs/dbraw/zinc/10/55/29/432105529.db2.gz ZLSIYOIQSDSZGY-UHFFFAOYSA-N 0 2 313.269 3.026 20 5 DGBDLN Cc1cccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)c1Cl ZINC000489990426 245370940 /nfs/dbraw/zinc/37/09/40/245370940.db2.gz UQDFWCLQQWFOEC-UHFFFAOYSA-N 0 2 320.732 3.443 20 5 DGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccccc2)cc1C ZINC000060436685 184149323 /nfs/dbraw/zinc/14/93/23/184149323.db2.gz PEPZAXVOGVBGPE-UHFFFAOYSA-N 0 2 306.343 3.012 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCc2ccc(Cl)cc21 ZINC000060473133 184149998 /nfs/dbraw/zinc/14/99/98/184149998.db2.gz LDOZQYZJGZBCKZ-UHFFFAOYSA-N 0 2 318.716 3.157 20 5 DGBDLN Cc1cc([C@@H](C)NC(=O)c2cc(O)ccc2[N+](=O)[O-])c(C)o1 ZINC000336863140 253012198 /nfs/dbraw/zinc/01/21/98/253012198.db2.gz NBQCPEMOTPYRDD-SECBINFHSA-N 0 2 304.302 3.001 20 5 DGBDLN O=C(/C=C\c1ccnc(Cl)c1)Nc1cc([N+](=O)[O-])ccc1O ZINC000255114431 285130563 /nfs/dbraw/zinc/13/05/63/285130563.db2.gz LIMGGBPJTLSKPN-RJRFIUFISA-N 0 2 319.704 3.001 20 5 DGBDLN O=C(Cc1ccc(Cl)c(F)c1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000344545843 254281450 /nfs/dbraw/zinc/28/14/50/254281450.db2.gz QSCKYLVATFJIGZ-UHFFFAOYSA-N 0 2 324.695 3.274 20 5 DGBDLN CC(C)N(Cc1cccs1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000318517088 400157287 /nfs/dbraw/zinc/15/72/87/400157287.db2.gz HWDFBGXVRDPVMB-UHFFFAOYSA-N 0 2 320.370 3.413 20 5 DGBDLN CC1(Cc2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)CCCC1 ZINC000589156298 400266456 /nfs/dbraw/zinc/26/64/56/400266456.db2.gz UQQRJTWRKNXKCY-UHFFFAOYSA-N 0 2 303.318 3.473 20 5 DGBDLN O=C(Cc1cc2ccccc2o1)Nc1cc([N+](=O)[O-])ccc1O ZINC000611294691 400374486 /nfs/dbraw/zinc/37/44/86/400374486.db2.gz VNCTTZAQBGPJDY-UHFFFAOYSA-N 0 2 312.281 3.228 20 5 DGBDLN Cc1cccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1C ZINC000115726166 400400231 /nfs/dbraw/zinc/40/02/31/400400231.db2.gz KRAJYAYWUJGAKZ-GFCCVEGCSA-N 0 2 314.341 3.408 20 5 DGBDLN Cc1ccc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)cc1 ZINC000590597698 400400385 /nfs/dbraw/zinc/40/03/85/400400385.db2.gz RKHSWNRKYPXQLS-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN CCC(CC)c1nnc(NC(=O)c2ccc([N+](=O)[O-])o2)s1 ZINC000044671230 400498826 /nfs/dbraw/zinc/49/88/26/400498826.db2.gz WRAIZWXWXOTFMZ-UHFFFAOYSA-N 0 2 310.335 3.195 20 5 DGBDLN Cc1cccc2c1CCCN2C(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000612545711 400562707 /nfs/dbraw/zinc/56/27/07/400562707.db2.gz SYQQPXQHDSGMFS-UHFFFAOYSA-N 0 2 312.325 3.202 20 5 DGBDLN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(Cl)c2O)c1 ZINC000077011621 400685243 /nfs/dbraw/zinc/68/52/43/400685243.db2.gz CGJHBFHQQDXKAH-UHFFFAOYSA-N 0 2 322.704 3.215 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@@H](C2CCCCC2)C1 ZINC000598151048 400751507 /nfs/dbraw/zinc/75/15/07/400751507.db2.gz OUIVLEFXDNCCIK-CQSZACIVSA-N 0 2 318.373 3.343 20 5 DGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCCC2(CCCC2)CC1 ZINC000597955402 400704248 /nfs/dbraw/zinc/70/42/48/400704248.db2.gz OFCJFMYGCVORSZ-UHFFFAOYSA-N 0 2 318.373 3.487 20 5 DGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@H](C2CCCCC2)C1 ZINC000598153294 400752954 /nfs/dbraw/zinc/75/29/54/400752954.db2.gz NHSLDCGQANRKDM-ZDUSSCGKSA-N 0 2 318.373 3.343 20 5 DGBDLN O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000599072930 400951046 /nfs/dbraw/zinc/95/10/46/400951046.db2.gz COILPYSFUZLKPZ-RHSMWYFYSA-N 0 2 315.417 3.189 20 5 DGBDLN CCS[C@@H]1CCCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000184774575 286705715 /nfs/dbraw/zinc/70/57/15/286705715.db2.gz BEFXJCDDNOQGRY-GFCCVEGCSA-N 0 2 324.402 3.048 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc2sccc2[nH]1 ZINC000189354313 165159174 /nfs/dbraw/zinc/15/91/74/165159174.db2.gz GEIVTWKSDCNORW-UHFFFAOYSA-N 0 2 303.299 3.096 20 5 DGBDLN C[C@H](c1ccccc1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000157463076 228234077 /nfs/dbraw/zinc/23/40/77/228234077.db2.gz RDEJNBOSOPPVJP-LLVKDONJSA-N 0 2 300.314 3.134 20 5 DGBDLN CSc1ccccc1CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000347747303 264277084 /nfs/dbraw/zinc/27/70/84/264277084.db2.gz ZXIOUDNQCSNUDK-UHFFFAOYSA-N 0 2 318.354 3.204 20 5 DGBDLN CC(C)(C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000307772460 278337853 /nfs/dbraw/zinc/33/78/53/278337853.db2.gz IHIAHCXNPBQAMG-LLVKDONJSA-N 0 2 306.362 3.199 20 5 DGBDLN CC(C)C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000188136218 279209717 /nfs/dbraw/zinc/20/97/17/279209717.db2.gz HRJSDLKJGSYYKB-GFCCVEGCSA-N 0 2 306.362 3.199 20 5 DGBDLN CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1 ZINC000018153750 431619577 /nfs/dbraw/zinc/61/95/77/431619577.db2.gz JGWNERFMXQDHEL-LBPRGKRZSA-N 0 2 314.341 3.224 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(Cl)c1F ZINC000092550092 431909509 /nfs/dbraw/zinc/90/95/09/431909509.db2.gz MNVOLQDFBSVWKP-UHFFFAOYSA-N 0 2 310.668 3.345 20 5 DGBDLN CCOCc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000102473142 431994664 /nfs/dbraw/zinc/99/46/64/431994664.db2.gz GKIZAMGGTLNZTH-UHFFFAOYSA-N 0 2 316.313 3.089 20 5 DGBDLN C[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000059354293 431998916 /nfs/dbraw/zinc/99/89/16/431998916.db2.gz GJYLCPXDIFHLCF-NSHDSACASA-N 0 2 300.314 3.433 20 5 DGBDLN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@H]1c1ccccc1 ZINC000184830461 432438210 /nfs/dbraw/zinc/43/82/10/432438210.db2.gz RCDWBFJQWVWBLK-BDJLRTHQSA-N 0 2 312.325 3.134 20 5 DGBDLN O=C(Nc1ccc(OC(F)F)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000184590303 432409913 /nfs/dbraw/zinc/40/99/13/432409913.db2.gz DMQTYQFNEKJEGJ-UHFFFAOYSA-N 0 2 324.239 3.154 20 5 DGBDLN C[C@@H]1CCN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)c2ccccc21 ZINC000185229475 432481099 /nfs/dbraw/zinc/48/10/99/432481099.db2.gz UUQMIZDBCHJQPS-LLVKDONJSA-N 0 2 312.325 3.454 20 5 DGBDLN C[C@H]1c2ccccc2CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000185532488 432508832 /nfs/dbraw/zinc/50/88/32/432508832.db2.gz UCTDRSCBSGJZJW-NSHDSACASA-N 0 2 312.325 3.060 20 5 DGBDLN COc1cc(C)c(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1F ZINC000186043244 432554250 /nfs/dbraw/zinc/55/42/50/432554250.db2.gz SDONRNVNWACRRZ-UHFFFAOYSA-N 0 2 320.276 3.009 20 5 DGBDLN C[C@H](NC(=O)c1cc(F)c(O)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000186653147 432618059 /nfs/dbraw/zinc/61/80/59/432618059.db2.gz LRXUVDFAEFYMDN-QMMMGPOBSA-N 0 2 322.267 3.070 20 5 DGBDLN C[C@@H](NC(=O)c1cc(F)c(O)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000186653165 432618433 /nfs/dbraw/zinc/61/84/33/432618433.db2.gz LRXUVDFAEFYMDN-MRVPVSSYSA-N 0 2 322.267 3.070 20 5 DGBDLN CCC1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000331236755 432935402 /nfs/dbraw/zinc/93/54/02/432935402.db2.gz MMKJUBXXDUSTHQ-UHFFFAOYSA-N 0 2 306.362 3.341 20 5 DGBDLN C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000361485237 433200948 /nfs/dbraw/zinc/20/09/48/433200948.db2.gz MSGZXSRLTNUCNL-ZYHUDNBSSA-N 0 2 306.362 3.245 20 5 DGBDLN O=[N+]([O-])c1ccc(CNc2nc(C3CCCC3)ns2)cc1 ZINC000420589108 433219191 /nfs/dbraw/zinc/21/91/91/433219191.db2.gz SRFZRDSVOSJFON-UHFFFAOYSA-N 0 2 304.375 3.138 20 5 DGBDLN CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000456294261 433574085 /nfs/dbraw/zinc/57/40/85/433574085.db2.gz PWQYKBVNJPPRCX-IUODEOHRSA-N 0 2 306.362 3.053 20 5 DGBDLN CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@H]1C(C)C ZINC000456294260 433577073 /nfs/dbraw/zinc/57/70/73/433577073.db2.gz PWQYKBVNJPPRCX-DOMZBBRYSA-N 0 2 306.362 3.053 20 5 DGBDLN CC(C)(C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000457097648 433983632 /nfs/dbraw/zinc/98/36/32/433983632.db2.gz YHLCNSDXRJVJTJ-NSHDSACASA-N 0 2 306.362 3.199 20 5 DGBDLN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)nc2ccccc12 ZINC000436705148 434078190 /nfs/dbraw/zinc/07/81/90/434078190.db2.gz QRDUYNARDQISGL-UHFFFAOYSA-N 0 2 323.308 3.409 20 5 DGBDLN Cc1cc(C)cc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000502995756 294182434 /nfs/dbraw/zinc/18/24/34/294182434.db2.gz ZCGVWGLZGCDBKD-GFCCVEGCSA-N 0 2 314.341 3.408 20 5 DGBDLN CCc1cccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000509628719 294358438 /nfs/dbraw/zinc/35/84/38/294358438.db2.gz MODCZJGJTFHZKE-UHFFFAOYSA-N 0 2 320.370 3.266 20 5 DGBDLN O=C(N[C@@H](c1ccccc1)C(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000436888456 434152096 /nfs/dbraw/zinc/15/20/96/434152096.db2.gz SEEZZNYYAPZSLZ-ZDUSSCGKSA-N 0 2 322.267 3.037 20 5 DGBDLN O=C(Nc1nc2ccsc2s1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436961645 434182108 /nfs/dbraw/zinc/18/21/08/434182108.db2.gz BXOFWKLDEFNNGT-UHFFFAOYSA-N 0 2 321.339 3.224 20 5 DGBDLN CCn1c2cc(F)ccc2nc1-c1ccc(O)c([N+](=O)[O-])c1 ZINC000436979228 434194893 /nfs/dbraw/zinc/19/48/93/434194893.db2.gz KGCYMFGWUQMRPR-UHFFFAOYSA-N 0 2 301.277 3.476 20 5 DGBDLN Cc1ccsc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000354239859 434687483 /nfs/dbraw/zinc/68/74/83/434687483.db2.gz QRZJKVIXZTYBSF-UHFFFAOYSA-N 0 2 312.372 3.074 20 5 DGBDLN Cc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c(C)c1 ZINC000183453508 301189670 /nfs/dbraw/zinc/18/96/70/301189670.db2.gz GXKZQCMXJKVVNJ-UHFFFAOYSA-N 0 2 300.314 3.478 20 5 DGBDLN COc1ccc(Cl)c(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000543537773 314140224 /nfs/dbraw/zinc/14/02/24/314140224.db2.gz WABJETASDOBFJD-UHFFFAOYSA-N 0 2 322.704 3.215 20 5 DGBDLN O=C(c1ccc(O)c([N+](=O)[O-])c1)N(CC1CC1)c1ccccc1 ZINC000180139977 534715742 /nfs/dbraw/zinc/71/57/42/534715742.db2.gz BIRLYBKDGYCNHO-UHFFFAOYSA-N 0 2 312.325 3.357 20 5 DGBDLN O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000332592051 534764115 /nfs/dbraw/zinc/76/41/15/534764115.db2.gz JUIKAOLMHCNSKR-YNEHKIRRSA-N 0 2 318.373 3.389 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1nc(Cl)cs1 ZINC000790705771 625688270 /nfs/dbraw/zinc/68/82/70/625688270.db2.gz SQGIIBHJCYTJAS-UHFFFAOYSA-N 0 2 319.676 3.235 20 5 DGBDLN O=C(NCC1CCCCCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000788291947 625119286 /nfs/dbraw/zinc/11/92/86/625119286.db2.gz XIFMZUQAXBLUPQ-UHFFFAOYSA-N 0 2 306.362 3.391 20 5 DGBDLN Cc1nc2ccc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)cc2o1 ZINC000792313627 625936129 /nfs/dbraw/zinc/93/61/29/625936129.db2.gz VMOXMGJGLBTFIU-UHFFFAOYSA-N 0 2 313.269 3.002 20 5 DGBDLN C[C@@H](c1ccccc1)N(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccccc1 ZINC000841071003 630404446 /nfs/dbraw/zinc/40/44/46/630404446.db2.gz BRZDTTDTQKDZLW-IAOVAPTHSA-N 0 2 310.353 3.446 20 5 DGBDLN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C1CCCCC1 ZINC001584178732 1192181964 /nfs/dbraw/zinc/18/19/64/1192181964.db2.gz PZHXMOXKNAJRFG-AWEZNQCLSA-N 0 2 306.362 3.389 20 5 DGBDLN Cc1ccccc1[C@@H](C(=O)[O-])[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001600566495 1192875366 /nfs/dbraw/zinc/87/53/66/1192875366.db2.gz CUXORXARISVXJV-INIZCTEOSA-N 0 2 314.341 3.161 20 5 DGBDLN Cc1ccccc1[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001600566495 1192875372 /nfs/dbraw/zinc/87/53/72/1192875372.db2.gz CUXORXARISVXJV-INIZCTEOSA-N 0 2 314.341 3.161 20 5 DGBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(CCCC2)c2cccc(Cl)c21 ZINC001436154038 1181871833 /nfs/dbraw/zinc/87/18/33/1181871833.db2.gz AWZINOHKIATLCL-ZWNOBZJWSA-N 0 2 320.776 3.164 20 5 DGBDLN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC001440825727 1182049032 /nfs/dbraw/zinc/04/90/32/1182049032.db2.gz NJVUWDHCORNLDX-INIZCTEOSA-N 0 2 314.341 3.428 20 5 DGBDLN CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1OC ZINC001449708197 1182232870 /nfs/dbraw/zinc/23/28/70/1182232870.db2.gz DDIXTLCFICVQJS-UHFFFAOYSA-N 0 2 316.313 3.124 20 5 DGBDLN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(C)cc1 ZINC001464671827 1183106302 /nfs/dbraw/zinc/10/63/02/1183106302.db2.gz BFEHCLZIVGGHAA-OAHLLOKOSA-N 0 2 314.341 3.490 20 5 DGBDLN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(Cl)c1O ZINC001524216179 1187224140 /nfs/dbraw/zinc/22/41/40/1187224140.db2.gz AVUQVTVNDJVTCB-UHFFFAOYSA-N 0 2 322.704 3.215 20 5 DGBDLN C[C@H]1CCCC[C@@H]1CCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001617468680 1193571061 /nfs/dbraw/zinc/57/10/61/1193571061.db2.gz QRVGTFAQXITBGI-NWDGAFQWSA-N 0 2 306.362 3.247 20 5 DGBDLN O=C(N[C@H](C1CCC1)C1CCCC1)c1ccc([N+](=O)[O-])cc1O ZINC001570659445 1190912856 /nfs/dbraw/zinc/91/28/56/1190912856.db2.gz MHPQLRBWNYEBHN-INIZCTEOSA-N 0 2 318.373 3.389 20 5 DGBDLN O=C(N[C@@H](C1CCC1)C1CCCC1)c1ccc([N+](=O)[O-])cc1O ZINC001570659446 1190912992 /nfs/dbraw/zinc/91/29/92/1190912992.db2.gz MHPQLRBWNYEBHN-MRXNPFEDSA-N 0 2 318.373 3.389 20 5 DGBDLN Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001631022230 1194315045 /nfs/dbraw/zinc/31/50/45/1194315045.db2.gz JGVUNVIUKMPWOI-HNNXBMFYSA-N 0 2 312.325 3.026 20 5 DGBDLN CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1(C)C ZINC001632236232 1194378550 /nfs/dbraw/zinc/37/85/50/1194378550.db2.gz FNNNPJBMVSHSPS-RISCZKNCSA-N 0 2 304.346 3.477 20 5 DGBDLN O=C(Nc1ccc(C(F)F)cc1)c1ccc([N+](=O)[O-])cc1O ZINC001639693900 1194777777 /nfs/dbraw/zinc/77/77/77/1194777777.db2.gz RJWUTVLWFHNMLM-UHFFFAOYSA-N 0 2 308.240 3.490 20 5 DGBDLN CSc1c(F)cccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001640320565 1194806560 /nfs/dbraw/zinc/80/65/60/1194806560.db2.gz NRPQKYDCJXUGCC-UHFFFAOYSA-N 0 2 322.317 3.414 20 5 DGBDLN C[C@@H]1CCC[C@@H](C2CN(C(=O)c3ccc([N+](=O)[O-])cc3O)C2)C1 ZINC001152403176 1087968296 /nfs/dbraw/zinc/96/82/96/1087968296.db2.gz TVEQOVMWLUKJJS-VXGBXAGGSA-N 0 2 318.373 3.199 20 5 DGBDLN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC001162017730 1089526443 /nfs/dbraw/zinc/52/64/43/1089526443.db2.gz LEFKMYZYQMVGFA-CQSZACIVSA-N 0 2 300.314 3.182 20 5 DGBDLN Cc1cc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)c(C)s1 ZINC001141555670 1092277603 /nfs/dbraw/zinc/27/76/03/1092277603.db2.gz REVSSTPHWSRISS-SECBINFHSA-N 0 2 320.370 3.470 20 5 DGBDLN O=C1CCOc2c(Nc3ccc(O)c([N+](=O)[O-])c3)ccc(F)c21 ZINC001210399115 1093155257 /nfs/dbraw/zinc/15/52/57/1093155257.db2.gz OAORSQORUZYVGS-UHFFFAOYSA-N 0 2 318.260 3.148 20 5 DGBDLN CCOC(=O)c1cc(Nc2nnc(C(C)C)o2)cc([N+](=O)[O-])c1 ZINC001211364288 1093472753 /nfs/dbraw/zinc/47/27/53/1093472753.db2.gz IHTVRHBEZXHEPD-UHFFFAOYSA-N 0 2 320.305 3.022 20 5 DGBDLN Cc1ccc(F)cc1-c1noc(-c2c(O)cccc2[N+](=O)[O-])n1 ZINC001216845165 1094269322 /nfs/dbraw/zinc/26/93/22/1094269322.db2.gz AAHKGOVDLNBYMG-UHFFFAOYSA-N 0 2 315.260 3.465 20 5 DGBDLN Cc1ccc(-c2nc(-c3cccc(F)c3)no2)c([N+](=O)[O-])c1O ZINC001216856628 1094270592 /nfs/dbraw/zinc/27/05/92/1094270592.db2.gz GQGMEDGGLWFKJV-UHFFFAOYSA-N 0 2 315.260 3.465 20 5 DGBDLN CC(C)[C@@H]1CCCCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC001137856580 1095770344 /nfs/dbraw/zinc/77/03/44/1095770344.db2.gz FYKTYFQJAMQYAS-AWEZNQCLSA-N 0 2 306.362 3.341 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCc2cc(F)ccc21 ZINC001138013150 1095835861 /nfs/dbraw/zinc/83/58/61/1095835861.db2.gz ICSKGKTUJYSIQI-ZDUSSCGKSA-N 0 2 316.288 3.108 20 5 DGBDLN O=C(c1ccco1)[C@H](Oc1ncccc1[N+](=O)[O-])c1ccco1 ZINC001225593392 1096477426 /nfs/dbraw/zinc/47/74/26/1096477426.db2.gz PSCBAJOORROICH-CQSZACIVSA-N 0 2 314.253 3.179 20 5 DGBDLN C[C@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])c1cccnc1Cl ZINC001228970215 1097229271 /nfs/dbraw/zinc/22/92/71/1097229271.db2.gz HMQAWHHXJVSORE-ZETCQYMHSA-N 0 2 310.693 3.194 20 5 DGBDLN C[C@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC001228971836 1097229952 /nfs/dbraw/zinc/22/99/52/1097229952.db2.gz SBWVPIAACZMHHA-ZETCQYMHSA-N 0 2 311.240 3.424 20 5 DGBDLN Cc1ccc(OC[C@@H](C)Oc2cc(O)cc(O)c2[N+](=O)[O-])cc1 ZINC001228973505 1097230310 /nfs/dbraw/zinc/23/03/10/1097230310.db2.gz JTDGESGAZXZOFN-LLVKDONJSA-N 0 2 319.313 3.161 20 5 DGBDLN Cc1ccccc1-c1noc(Cc2ccc(O)c([N+](=O)[O-])c2)n1 ZINC001247987210 1105028684 /nfs/dbraw/zinc/02/86/84/1105028684.db2.gz LZZVPTLHZLZPRW-UHFFFAOYSA-N 0 2 311.297 3.250 20 5 DGBDLN O=[N+]([O-])c1cc(O)cc(-c2nc3ccc(N4CCCC4)cc3[nH]2)c1 ZINC001251389226 1105656168 /nfs/dbraw/zinc/65/61/68/1105656168.db2.gz CSTFADPAOLTDMA-UHFFFAOYSA-N 0 2 324.340 3.444 20 5 DGBDLN CCCCCc1nnc(-c2cc(OC)c(O)c([N+](=O)[O-])c2)o1 ZINC001256144925 1106376974 /nfs/dbraw/zinc/37/69/74/1106376974.db2.gz PZNFELLYPIHBRV-UHFFFAOYSA-N 0 2 307.306 3.092 20 5 DGBDLN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1F ZINC000092546197 185325234 /nfs/dbraw/zinc/32/52/34/185325234.db2.gz FLFLKZXUDKSZGR-SECBINFHSA-N 0 2 304.277 3.182 20 5 DGBDLN O=C(Nc1ccc2ncsc2c1)c1ccc([N+](=O)[O-])cc1O ZINC000436968481 304006001 /nfs/dbraw/zinc/00/60/01/304006001.db2.gz VLKVAZNIMNUSEW-UHFFFAOYSA-N 0 2 315.310 3.162 20 5 DGBDLN O=C(NCCC1=CCCCC1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000194623302 201263312 /nfs/dbraw/zinc/26/33/12/201263312.db2.gz DPBKMEMAYVTLQI-UHFFFAOYSA-N 0 2 310.300 3.493 20 5 DGBDLN Cc1ccc2oc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc2n1 ZINC000180772800 432099491 /nfs/dbraw/zinc/09/94/91/432099491.db2.gz NACYRKUMGDAQPQ-UHFFFAOYSA-N 0 2 313.269 3.002 20 5 DGBDLN Cc1cccc(Cc2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)c1 ZINC000445186316 239390713 /nfs/dbraw/zinc/39/07/13/239390713.db2.gz JSLNGTVGSQUHIG-UHFFFAOYSA-N 0 2 311.297 3.250 20 5 DGBDLN Cc1nc(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2O)cs1 ZINC000135341084 432113518 /nfs/dbraw/zinc/11/35/18/432113518.db2.gz LMQGVDFNXWSLBB-UHFFFAOYSA-N 0 2 321.358 3.027 20 5 DGBDLN Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c(F)c1 ZINC000093930691 284014962 /nfs/dbraw/zinc/01/49/62/284014962.db2.gz WOJKPJDEIZNSJZ-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN COc1ccc(Cl)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000021027647 182262521 /nfs/dbraw/zinc/26/25/21/182262521.db2.gz DASNEJNCDQAGIZ-UHFFFAOYSA-N 0 2 322.704 3.215 20 5 DGBDLN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(F)cc1F ZINC000135341339 284471759 /nfs/dbraw/zinc/47/17/59/284471759.db2.gz NGBBABZMPAWKAE-UHFFFAOYSA-N 0 2 308.240 3.139 20 5 DGBDLN CC(C)C1(C)CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000190351431 432146359 /nfs/dbraw/zinc/14/63/59/432146359.db2.gz FRWHVTAWNALCBS-UHFFFAOYSA-N 0 2 306.362 3.199 20 5 DGBDLN Cc1ccc(S(=O)(=O)Nc2ccccc2C)c([N+](=O)[O-])c1 ZINC000357543847 285780754 /nfs/dbraw/zinc/78/07/54/285780754.db2.gz VZMGPSNVEGMRIT-UHFFFAOYSA-N 0 2 306.343 3.012 20 5 DGBDLN Cc1ccc(F)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1F ZINC000092545983 400179871 /nfs/dbraw/zinc/17/98/71/400179871.db2.gz TXOMGCSPFCXVOF-UHFFFAOYSA-N 0 2 308.240 3.139 20 5 DGBDLN CCCC[C@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000609045500 400137341 /nfs/dbraw/zinc/13/73/41/400137341.db2.gz QQSVUTQIBDEXLM-AAEUAGOBSA-N 0 2 306.362 3.389 20 5 DGBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)c1cccc2cccnc21 ZINC000588822936 400232197 /nfs/dbraw/zinc/23/21/97/400232197.db2.gz CVDBFVDRCHUZSB-UHFFFAOYSA-N 0 2 323.308 3.125 20 5 DGBDLN CC1(C)C[C@H](c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)CCO1 ZINC000351177862 400238293 /nfs/dbraw/zinc/23/82/93/400238293.db2.gz HBFAXOHOMVNORH-SNVBAGLBSA-N 0 2 319.317 3.023 20 5 DGBDLN CCc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000023596453 400209976 /nfs/dbraw/zinc/20/99/76/400209976.db2.gz HMKGILFNQHQKCR-UHFFFAOYSA-N 0 2 314.341 3.135 20 5 DGBDLN O=C(CNc1ccccc1Cl)Nc1cc([N+](=O)[O-])ccc1O ZINC000611294702 400374552 /nfs/dbraw/zinc/37/45/52/400374552.db2.gz RQMPLVWTRZVAKW-UHFFFAOYSA-N 0 2 321.720 3.004 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C12CC3CC(CC(C3)C1)C2 ZINC000075288438 400569750 /nfs/dbraw/zinc/56/97/50/400569750.db2.gz GZCKTCCDPVZAOQ-UHFFFAOYSA-N 0 2 316.357 3.455 20 5 DGBDLN CCc1ccccc1NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000158555880 400725711 /nfs/dbraw/zinc/72/57/11/400725711.db2.gz YVIITZPXBDVDBR-UHFFFAOYSA-N 0 2 320.370 3.266 20 5 DGBDLN Cc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C2CC2)o1 ZINC000613896522 400808755 /nfs/dbraw/zinc/80/87/55/400808755.db2.gz MBQPRSFJISKCKQ-UHFFFAOYSA-N 0 2 316.313 3.007 20 5 DGBDLN C[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000598439477 400813285 /nfs/dbraw/zinc/81/32/85/400813285.db2.gz LYPUJABLNQFQDS-LLVKDONJSA-N 0 2 306.362 3.247 20 5 DGBDLN Cc1ccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000055547757 400876941 /nfs/dbraw/zinc/87/69/41/400876941.db2.gz YIOBIYUYOWVEAC-UHFFFAOYSA-N 0 2 306.343 3.012 20 5 DGBDLN CCCNc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000190139436 165191486 /nfs/dbraw/zinc/19/14/86/165191486.db2.gz QZGXDRSHPUUOBR-UHFFFAOYSA-N 0 2 315.329 3.375 20 5 DGBDLN Cc1cc(C)c(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c(C)c1 ZINC000348144544 264351402 /nfs/dbraw/zinc/35/14/02/264351402.db2.gz NFNXTWODDVQDJS-UHFFFAOYSA-N 0 2 314.341 3.156 20 5 DGBDLN CCO[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)C1=CCCC1 ZINC000356322913 266353719 /nfs/dbraw/zinc/35/37/19/266353719.db2.gz PVEKKMBVFGAAEI-HNNXBMFYSA-N 0 2 320.345 3.144 20 5 DGBDLN O=C(Nc1ccc2ncccc2c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000069395446 431184007 /nfs/dbraw/zinc/18/40/07/431184007.db2.gz IRAUFIVPISGNFY-UHFFFAOYSA-N 0 2 309.281 3.101 20 5 DGBDLN CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1 ZINC000029924512 431730627 /nfs/dbraw/zinc/73/06/27/431730627.db2.gz VBRCFTQLLWGVCN-UHFFFAOYSA-N 0 2 314.341 3.008 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000089531257 431869526 /nfs/dbraw/zinc/86/95/26/431869526.db2.gz DPDNPKNDCAICFL-QWHCGFSZSA-N 0 2 316.288 3.182 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccnc2ccccc21 ZINC000092546001 431909347 /nfs/dbraw/zinc/90/93/47/431909347.db2.gz RDNUVGBFQBSZOG-UHFFFAOYSA-N 0 2 309.281 3.101 20 5 DGBDLN O=C(/C=C/c1ccnc(Cl)c1)Nc1cc([N+](=O)[O-])ccc1O ZINC000092545962 431909396 /nfs/dbraw/zinc/90/93/96/431909396.db2.gz LIMGGBPJTLSKPN-DAFODLJHSA-N 0 2 319.704 3.001 20 5 DGBDLN Cc1ccccc1CCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092547577 431910087 /nfs/dbraw/zinc/91/00/87/431910087.db2.gz IHVPQIKLQONOQP-UHFFFAOYSA-N 0 2 300.314 3.180 20 5 DGBDLN CC1CCC(N(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C2CC2)CC1 ZINC000183502445 432298316 /nfs/dbraw/zinc/29/83/16/432298316.db2.gz XZYUGYBAOOUFBT-UHFFFAOYSA-N 0 2 318.373 3.484 20 5 DGBDLN CCNc1cc(C)ccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000191407989 432262292 /nfs/dbraw/zinc/26/22/92/432262292.db2.gz GZIXBIOLIUSAGL-UHFFFAOYSA-N 0 2 315.329 3.293 20 5 DGBDLN Cc1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)c(C)c1 ZINC000217640693 432656496 /nfs/dbraw/zinc/65/64/96/432656496.db2.gz AGOVLFXYBJHADP-UHFFFAOYSA-N 0 2 314.341 3.489 20 5 DGBDLN CC(C)(CCC(=O)Nc1cc(Cl)cc(Cl)c1O)[N+](=O)[O-] ZINC000296910096 432938144 /nfs/dbraw/zinc/93/81/44/432938144.db2.gz ADIDFCUMNTUOJR-UHFFFAOYSA-N 0 2 321.160 3.473 20 5 DGBDLN Cc1c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cnc2ccccc12 ZINC000361655490 433319665 /nfs/dbraw/zinc/31/96/65/433319665.db2.gz PNNPJZSYDDJAPD-UHFFFAOYSA-N 0 2 323.308 3.409 20 5 DGBDLN Cc1ccc(-c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)cc1F ZINC000429874709 433784931 /nfs/dbraw/zinc/78/49/31/433784931.db2.gz XZGNURLTVCDBTM-UHFFFAOYSA-N 0 2 315.260 3.465 20 5 DGBDLN CC(C)[C@@H]1N(C(=O)c2cc([N+](=O)[O-])ccc2O)CC12CCCC2 ZINC000457158431 434024861 /nfs/dbraw/zinc/02/48/61/434024861.db2.gz FUXCQVWKZSIRQJ-HNNXBMFYSA-N 0 2 318.373 3.341 20 5 DGBDLN CCS[C@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000436682963 434066983 /nfs/dbraw/zinc/06/69/83/434066983.db2.gz XALWRGNGVSTKTQ-JQWIXIFHSA-N 0 2 324.402 3.095 20 5 DGBDLN Cc1ccc(C[C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2O)s1 ZINC000436668206 434059867 /nfs/dbraw/zinc/05/98/67/434059867.db2.gz APKFNFRTZRQBNI-SECBINFHSA-N 0 2 320.370 3.031 20 5 DGBDLN Cc1cccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2O)c1C ZINC000436806141 434117262 /nfs/dbraw/zinc/11/72/62/434117262.db2.gz ZYHZKFISYCKMGU-UHFFFAOYSA-N 0 2 314.341 3.189 20 5 DGBDLN CC(C)[C@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000508529443 294324371 /nfs/dbraw/zinc/32/43/71/294324371.db2.gz AWZYWUPVADPCKM-WCQYABFASA-N 0 2 306.362 3.245 20 5 DGBDLN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC(C)(C)C1 ZINC000436937435 434171815 /nfs/dbraw/zinc/17/18/15/434171815.db2.gz IMZKZGCWUMCAFC-UHFFFAOYSA-N 0 2 306.362 3.199 20 5 DGBDLN O=C(N[C@@H]1CCCc2sccc21)c1ccc([N+](=O)[O-])cc1O ZINC000436940389 434180072 /nfs/dbraw/zinc/18/00/72/434180072.db2.gz WKQHZVCLBZYMNI-GFCCVEGCSA-N 0 2 318.354 3.169 20 5 DGBDLN C[C@H](CN(C)C(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC000436981987 434192549 /nfs/dbraw/zinc/19/25/49/434192549.db2.gz WJNLMUPPEVUEFR-GFCCVEGCSA-N 0 2 314.341 3.176 20 5 DGBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc2cc[nH]c2c1 ZINC000436999793 434195975 /nfs/dbraw/zinc/19/59/75/434195975.db2.gz LWLAGKQEZOUMBY-UHFFFAOYSA-N 0 2 311.297 3.058 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000178953886 304529875 /nfs/dbraw/zinc/52/98/75/304529875.db2.gz JKDXESIQWKDBPU-WCQYABFASA-N 0 2 304.346 3.095 20 5 DGBDLN C[C@H]1CCCC[C@@H]1CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000512488400 435360311 /nfs/dbraw/zinc/36/03/11/435360311.db2.gz HVXUTNOWSKMCKW-NWDGAFQWSA-N 0 2 306.362 3.247 20 5 DGBDLN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000568461765 435439043 /nfs/dbraw/zinc/43/90/43/435439043.db2.gz XPAZIUIMWGRSRW-ZIAGYGMSSA-N 0 2 314.389 3.187 20 5 DGBDLN C/C=C/c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000516109324 435513397 /nfs/dbraw/zinc/51/33/97/435513397.db2.gz AYYCNJIGSZRARF-GORDUTHDSA-N 0 2 318.354 3.429 20 5 DGBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1[N+](=O)[O-] ZINC000189222049 301558602 /nfs/dbraw/zinc/55/86/02/301558602.db2.gz MMMPAWVVQMFAOW-UHFFFAOYSA-N 0 2 306.343 3.012 20 5 DGBDLN Cc1ccc2[nH]c(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc2c1 ZINC000537767783 313832969 /nfs/dbraw/zinc/83/29/69/313832969.db2.gz GNHGQFOWZLEENZ-UHFFFAOYSA-N 0 2 311.297 3.342 20 5 DGBDLN CC(C)(C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)C(F)(F)F ZINC000541862089 314043399 /nfs/dbraw/zinc/04/33/99/314043399.db2.gz VJSBJKXTCOGPHU-NSHDSACASA-N 0 2 320.267 3.007 20 5 DGBDLN C[C@@H](c1ccccc1F)N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184638056 534126913 /nfs/dbraw/zinc/12/69/13/534126913.db2.gz IACAQCYCRJUKGJ-JTQLQIEISA-N 0 2 318.304 3.273 20 5 DGBDLN C[C@H](c1cccs1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179435552 534150064 /nfs/dbraw/zinc/15/00/64/534150064.db2.gz URQACYKPWCNYGE-SECBINFHSA-N 0 2 306.343 3.195 20 5 DGBDLN CCCCCCO[C@@H](C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000839722090 621716645 /nfs/dbraw/zinc/71/66/45/621716645.db2.gz BSBIMNKANVPTNR-NSHDSACASA-N 0 2 310.350 3.224 20 5 DGBDLN CC[C@@H](C)n1nc(Nc2nc3ccccn3c2[N+](=O)[O-])cc1C ZINC000775699299 623315458 /nfs/dbraw/zinc/31/54/58/623315458.db2.gz CPDQHYIENRJSJN-SNVBAGLBSA-N 0 2 314.349 3.462 20 5 DGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cc(F)cc(Cl)c1 ZINC000776197720 623395111 /nfs/dbraw/zinc/39/51/11/623395111.db2.gz QGWQLIUBVGMZNC-UHFFFAOYSA-N 0 2 310.668 3.345 20 5 DGBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(Cc2ccc(Cl)cc2Cl)no1 ZINC000842486127 630540012 /nfs/dbraw/zinc/54/00/12/630540012.db2.gz CEHAWKHHDIVQBV-PSASIEDQSA-N 0 2 314.128 3.100 20 5 DGBDLN CC(C)(C)Sc1ccc(-c2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)cn1 ZINC000842500818 630542593 /nfs/dbraw/zinc/54/25/93/630542593.db2.gz QTVOUJQYEQOWSB-NXEZZACHSA-N 0 2 320.374 3.155 20 5 DGBDLN Cc1ccc(Cl)cc1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001603143301 1193008545 /nfs/dbraw/zinc/00/85/45/1193008545.db2.gz VMWJISZCUNHRQA-UHFFFAOYSA-N 0 2 320.732 3.192 20 5 DGBDLN O=C(C/C=C/Cc1ccccc1)Nc1cc([N+](=O)[O-])ccc1O ZINC001447258018 1182185537 /nfs/dbraw/zinc/18/55/37/1182185537.db2.gz DGJZTCUQTBKQOL-SNAWJCMRSA-N 0 2 312.325 3.428 20 5 DGBDLN CC(C)(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cn1 ZINC001456834316 1182431853 /nfs/dbraw/zinc/43/18/53/1182431853.db2.gz LRCXQXJFXXVOHM-UHFFFAOYSA-N 0 2 315.329 3.245 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001466629219 1183215348 /nfs/dbraw/zinc/21/53/48/1183215348.db2.gz VSNSJAAGDTYZJP-VXGBXAGGSA-N 0 2 304.346 3.455 20 5 DGBDLN Cc1cc(C(=O)Nc2ccc(F)c(F)c2O)ccc1[N+](=O)[O-] ZINC001468788651 1183360240 /nfs/dbraw/zinc/36/02/40/1183360240.db2.gz GLNQIMAQVLNSGF-UHFFFAOYSA-N 0 2 308.240 3.139 20 5 DGBDLN CC(C)(NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(F)cc1 ZINC001558380284 1189121977 /nfs/dbraw/zinc/12/19/77/1189121977.db2.gz FZPLFKFXEMTMQQ-UHFFFAOYSA-N 0 2 318.304 3.105 20 5 DGBDLN Cc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC001625302720 1194042835 /nfs/dbraw/zinc/04/28/35/1194042835.db2.gz JXOZHZDAFUAVGS-NSHDSACASA-N 0 2 300.314 3.100 20 5 DGBDLN CON(C[C@H]1CCC[C@@H](C)C1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC001625466220 1194053006 /nfs/dbraw/zinc/05/30/06/1194053006.db2.gz DISUAEUPVNHGEJ-NEPJUHHUSA-N 0 2 322.361 3.130 20 5 DGBDLN Cc1cccn2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc12 ZINC001633355837 1194433236 /nfs/dbraw/zinc/43/32/36/1194433236.db2.gz MTDSUXMDXJJNFW-UHFFFAOYSA-N 0 2 311.297 3.114 20 5 DGBDLN CC[C@@H]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001637827008 1194688254 /nfs/dbraw/zinc/68/82/54/1194688254.db2.gz QEKPYKWYQWAVGU-NEPJUHHUSA-N 0 2 306.362 3.247 20 5 DGBDLN CSc1cc(F)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001643502140 1195030028 /nfs/dbraw/zinc/03/00/28/1195030028.db2.gz KUNMKSGQCWDXHJ-UHFFFAOYSA-N 0 2 322.317 3.414 20 5 DGBDLN C[C@H]1CCC[C@H](C2CN(C(=O)c3ccc([N+](=O)[O-])cc3O)C2)C1 ZINC001152403175 1087968361 /nfs/dbraw/zinc/96/83/61/1087968361.db2.gz TVEQOVMWLUKJJS-RYUDHWBXSA-N 0 2 318.373 3.199 20 5 DGBDLN O=[N+]([O-])c1cccc(O)c1-c1nc(-c2cccc(F)c2)no1 ZINC001216845551 1094269187 /nfs/dbraw/zinc/26/91/87/1094269187.db2.gz UUOIGQBUHGGNBW-UHFFFAOYSA-N 0 2 301.233 3.157 20 5 DGBDLN CC(C)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC001136182025 1094933716 /nfs/dbraw/zinc/93/37/16/1094933716.db2.gz HQXYWDSPZNJLBJ-UHFFFAOYSA-N 0 2 314.341 3.354 20 5 DGBDLN COc1ccc(OC)c([C@H](C)Oc2cccc(O)c2[N+](=O)[O-])c1 ZINC001225619909 1096485538 /nfs/dbraw/zinc/48/55/38/1096485538.db2.gz KIWJLYRIZFSCFY-JTQLQIEISA-N 0 2 319.313 3.458 20 5 DGBDLN Cc1cccc(OC[C@H](C)Oc2cccc(O)c2[N+](=O)[O-])c1 ZINC001225620403 1096486189 /nfs/dbraw/zinc/48/61/89/1096486189.db2.gz QJOJAUMIIQKESN-LBPRGKRZSA-N 0 2 303.314 3.455 20 5 DGBDLN O=[N+]([O-])c1ccc(O)cc1-c1nc2c([nH]1)c(F)cc(F)c2F ZINC001250854088 1105594635 /nfs/dbraw/zinc/59/46/35/1105594635.db2.gz OFNLEJHTPXPXLF-UHFFFAOYSA-N 0 2 309.203 3.261 20 5 DGBDLN O=[N+]([O-])c1ccc(O)c(-c2nc3c([nH]2)c(F)cc(F)c3F)c1 ZINC001251045594 1105623860 /nfs/dbraw/zinc/62/38/60/1105623860.db2.gz LZWYIAWKIRJMNZ-UHFFFAOYSA-N 0 2 309.203 3.261 20 5 DGBDLN O=[N+]([O-])c1cccc(O)c1-c1nnc(-c2ccc(F)cc2)o1 ZINC001252260649 1105759639 /nfs/dbraw/zinc/75/96/39/1105759639.db2.gz SYQGHIYERLTRHD-UHFFFAOYSA-N 0 2 301.233 3.157 20 5 DGBDLN O=[N+]([O-])c1ccc(O)cc1-c1nnc(Cc2ccccc2F)o1 ZINC001255860007 1106330746 /nfs/dbraw/zinc/33/07/46/1106330746.db2.gz ATUDBZUFBVCOLI-UHFFFAOYSA-N 0 2 315.260 3.080 20 5 DGBDLN CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)CC(F)(F)F ZINC000412627664 529487954 /nfs/dbraw/zinc/48/79/54/529487954.db2.gz AQKWCGNXXQLESV-MRVPVSSYSA-N 0 2 320.267 3.009 20 5 DGBDLN O=C(Nc1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1O ZINC000436885462 304016114 /nfs/dbraw/zinc/01/61/14/304016114.db2.gz OGLFMFIRPIFKFJ-UHFFFAOYSA-N 0 2 315.310 3.162 20 5 DGBDLN CCN(CCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000075430490 191471889 /nfs/dbraw/zinc/47/18/89/191471889.db2.gz QPXRUNICNMGBPY-UHFFFAOYSA-N 0 2 314.341 3.005 20 5 DGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@H]1c1ccccc1 ZINC000179403156 432057008 /nfs/dbraw/zinc/05/70/08/432057008.db2.gz AHMDLCAXAVDQQT-HNNXBMFYSA-N 0 2 312.325 3.278 20 5 DGBDLN O=[N+]([O-])c1ccc(-c2nc(CC3CCCCC3)no2)cc1O ZINC000445213166 239392592 /nfs/dbraw/zinc/39/25/92/239392592.db2.gz OXHBHBWXQUFTCR-UHFFFAOYSA-N 0 2 303.318 3.473 20 5 DGBDLN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1cccc(F)c1 ZINC000092547448 284007339 /nfs/dbraw/zinc/00/73/39/284007339.db2.gz GLIHCXHTXUQECQ-SECBINFHSA-N 0 2 304.277 3.182 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H](c1ccccc1)C1CC1 ZINC000092547543 284007534 /nfs/dbraw/zinc/00/75/34/284007534.db2.gz PQUBXUPLZJEYRH-INIZCTEOSA-N 0 2 312.325 3.433 20 5 DGBDLN CCS[C@H]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000162877133 284719261 /nfs/dbraw/zinc/71/92/61/284719261.db2.gz MOUGUIGDLQFTRW-NEPJUHHUSA-N 0 2 324.402 3.047 20 5 DGBDLN CN(Cc1ccccc1Cl)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184594110 252748506 /nfs/dbraw/zinc/74/85/06/252748506.db2.gz XIAZWILBOBJFKH-UHFFFAOYSA-N 0 2 320.732 3.226 20 5 DGBDLN O=C(NC[C@@H]1C[C@H]1C1CCCCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000294604023 224114114 /nfs/dbraw/zinc/11/41/14/224114114.db2.gz PANRFFBJTKKQSF-JSGCOSHPSA-N 0 2 318.373 3.247 20 5 DGBDLN COc1cc(Cl)cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000343874178 254198524 /nfs/dbraw/zinc/19/85/24/254198524.db2.gz INCDSUDWVLXMLA-UHFFFAOYSA-N 0 2 322.704 3.215 20 5 DGBDLN COc1c(C)ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1C ZINC000185615784 533405090 /nfs/dbraw/zinc/40/50/90/533405090.db2.gz OHGVYPULGUQFAT-UHFFFAOYSA-N 0 2 316.313 3.178 20 5 DGBDLN Cc1cccc2c1CC[C@@H]2NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000104927260 400318171 /nfs/dbraw/zinc/31/81/71/400318171.db2.gz DJVQIAAWSZPFHG-AWEZNQCLSA-N 0 2 312.325 3.026 20 5 DGBDLN CC(C)[C@H]1CCC2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 ZINC000601933755 400378691 /nfs/dbraw/zinc/37/86/91/400378691.db2.gz HCQAUWGYMBGYDP-SMDDNHRTSA-N 0 2 301.346 3.370 20 5 DGBDLN Cc1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000158526665 400725796 /nfs/dbraw/zinc/72/57/96/400725796.db2.gz KDCRTNXLJJCUJC-UHFFFAOYSA-N 0 2 320.370 3.321 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@H](C2CCCCC2)C1 ZINC000598152979 400753025 /nfs/dbraw/zinc/75/30/25/400753025.db2.gz KCJFPPYTCWRIAZ-ZDUSSCGKSA-N 0 2 318.373 3.343 20 5 DGBDLN CC1(C)CCC(C)(C)N(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000600226596 401227727 /nfs/dbraw/zinc/22/77/27/401227727.db2.gz QBGKSEFIXUGLAZ-UHFFFAOYSA-N 0 2 306.362 3.341 20 5 DGBDLN Cc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c2cccnc12 ZINC000183352724 228372548 /nfs/dbraw/zinc/37/25/48/228372548.db2.gz RVUMAFBUTLNGAX-UHFFFAOYSA-N 0 2 323.308 3.409 20 5 DGBDLN O=C(Nc1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000183421210 228373594 /nfs/dbraw/zinc/37/35/94/228373594.db2.gz BMJFPUVRZANEER-UHFFFAOYSA-N 0 2 310.668 3.345 20 5 DGBDLN CC(C)C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000119332609 279020791 /nfs/dbraw/zinc/02/07/91/279020791.db2.gz BVOBDWITGVHERI-ZDUSSCGKSA-N 0 2 306.362 3.341 20 5 DGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(F)c1C ZINC000075082498 431451751 /nfs/dbraw/zinc/45/17/51/431451751.db2.gz LMOJSXQMMPXWLK-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H]2CCCC[C@H]21 ZINC000152651102 432345182 /nfs/dbraw/zinc/34/51/82/432345182.db2.gz JKDXESIQWKDBPU-DGCLKSJQSA-N 0 2 304.346 3.095 20 5 DGBDLN CC(C)N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184629868 432414977 /nfs/dbraw/zinc/41/49/77/432414977.db2.gz POEWZTZZPLIYFW-UHFFFAOYSA-N 0 2 314.341 3.351 20 5 DGBDLN Cc1ccc2c(c1)N(C(=O)c1ccc([N+](=O)[O-])cc1O)CCC2 ZINC000185871365 432541174 /nfs/dbraw/zinc/54/11/74/432541174.db2.gz TZQWRORJKVITFV-UHFFFAOYSA-N 0 2 312.325 3.202 20 5 DGBDLN COc1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)ccc1Cl ZINC000194881086 432584770 /nfs/dbraw/zinc/58/47/70/432584770.db2.gz NKYWTAABNCDXSS-UHFFFAOYSA-N 0 2 322.704 3.215 20 5 DGBDLN CC[C@H](C)n1ncc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1C ZINC000436596578 434029444 /nfs/dbraw/zinc/02/94/44/434029444.db2.gz QZSLGOVLHDLLFO-VIFPVBQESA-N 0 2 318.333 3.029 20 5 DGBDLN Cc1ccc(C[C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)s1 ZINC000436869066 434145884 /nfs/dbraw/zinc/14/58/84/434145884.db2.gz CQECGTSPSUCJSN-VIFPVBQESA-N 0 2 320.370 3.031 20 5 DGBDLN CSc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436873886 434147890 /nfs/dbraw/zinc/14/78/90/434147890.db2.gz YLNMYSACKJRGHQ-UHFFFAOYSA-N 0 2 304.327 3.275 20 5 DGBDLN CC[C@H](C)[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000357911079 434242356 /nfs/dbraw/zinc/24/23/56/434242356.db2.gz MVFMKIZQSIZDCX-WCQYABFASA-N 0 2 306.362 3.341 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H]1c1ccsc1 ZINC000274659049 304532943 /nfs/dbraw/zinc/53/29/43/304532943.db2.gz FFZNQMHBOJVRRJ-CYBMUJFWSA-N 0 2 318.354 3.339 20 5 DGBDLN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@H]1c1ccccc1 ZINC000184830478 300194458 /nfs/dbraw/zinc/19/44/58/300194458.db2.gz RCDWBFJQWVWBLK-MEDUHNTESA-N 0 2 312.325 3.134 20 5 DGBDLN O=C(NC1(c2ccccc2)CCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000065316240 303721430 /nfs/dbraw/zinc/72/14/30/303721430.db2.gz HJWUNZLHNZKBGO-UHFFFAOYSA-N 0 2 312.325 3.110 20 5 DGBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(F)c(O)c(F)c1 ZINC000186388016 534343202 /nfs/dbraw/zinc/34/32/02/534343202.db2.gz KFZUXBVAXCZLHS-UHFFFAOYSA-N 0 2 308.240 3.139 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCc2ccc(Cl)cc21 ZINC000158116936 534719500 /nfs/dbraw/zinc/71/95/00/534719500.db2.gz LINPEQYRFURYEW-UHFFFAOYSA-N 0 2 318.716 3.157 20 5 DGBDLN O=C(Nc1ccc(OC(F)F)cc1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000163990747 534832355 /nfs/dbraw/zinc/83/23/55/534832355.db2.gz ZSAHYOVNCLOLCZ-UHFFFAOYSA-N 0 2 324.239 3.154 20 5 DGBDLN CC(C)Oc1ccccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000183406222 528263099 /nfs/dbraw/zinc/26/30/99/528263099.db2.gz OORFALPNOSGLFX-UHFFFAOYSA-N 0 2 316.313 3.340 20 5 DGBDLN CCS[C@@H]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000179525897 529221181 /nfs/dbraw/zinc/22/11/81/529221181.db2.gz DOSHRXHUVNWXNT-CMPLNLGQSA-N 0 2 324.402 3.047 20 5 DGBDLN CC[C@H](C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)C(F)(F)F ZINC000444538112 529255205 /nfs/dbraw/zinc/25/52/05/529255205.db2.gz BWXJBPQFLDBDGY-CPCISQLKSA-N 0 2 320.267 3.007 20 5 DGBDLN CC(C)c1c(Nc2ncc([N+](=O)[O-])cn2)cnn1-c1ccccc1 ZINC000302749327 546436776 /nfs/dbraw/zinc/43/67/76/546436776.db2.gz UTNGFYYXPHJUOZ-UHFFFAOYSA-N 0 2 324.344 3.438 20 5 DGBDLN O=C(OCc1n[nH]c(=O)[nH]1)c1c2ccccc2cc2ccccc21 ZINC000774884213 623204996 /nfs/dbraw/zinc/20/49/96/623204996.db2.gz UQDMZBZMHJIJDR-UHFFFAOYSA-N 0 2 319.320 3.174 20 5 DGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cccc(F)c1Cl ZINC000776203745 623396047 /nfs/dbraw/zinc/39/60/47/623396047.db2.gz GZESRPYYGGTLMQ-UHFFFAOYSA-N 0 2 310.668 3.345 20 5 DGBDLN CC(C)OCCON=c1ccc([N+](=O)[O-])c(-c2ccccc2)[nH]1 ZINC000812489205 627391908 /nfs/dbraw/zinc/39/19/08/627391908.db2.gz UZQSDIFCEMNRNS-UHFFFAOYSA-N 0 2 317.345 3.425 20 5 DGBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(-c2ccc(Cl)cc2Cl)no1 ZINC000842496400 630541923 /nfs/dbraw/zinc/54/19/23/630541923.db2.gz DBFLZUIGUSUEFW-VXNVDRBHSA-N 0 2 300.101 3.176 20 5 DGBDLN Cc1ccc(NC(=O)c2ccc(Cl)c(O)c2)c(N)c1[N+](=O)[O-] ZINC001603053403 1193005693 /nfs/dbraw/zinc/00/56/93/1193005693.db2.gz XYWVCZRGLVDILW-UHFFFAOYSA-N 0 2 321.720 3.097 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001466629217 1183215240 /nfs/dbraw/zinc/21/52/40/1183215240.db2.gz VSNSJAAGDTYZJP-JYAVWHMHSA-N 0 2 304.346 3.455 20 5 DGBDLN CC1(CNC(=O)c2ccc([N+](=O)[O-])cc2O)CCCCCC1 ZINC001546189936 1183601901 /nfs/dbraw/zinc/60/19/01/1183601901.db2.gz YBYBOWAHXSKTFY-UHFFFAOYSA-N 0 2 306.362 3.391 20 5 DGBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(F)cc(F)c1O ZINC001540363861 1188235287 /nfs/dbraw/zinc/23/52/87/1188235287.db2.gz LBQXSOFOFRJAOO-UHFFFAOYSA-N 0 2 308.240 3.139 20 5 DGBDLN O=C(Cc1cccc2cnccc21)Nc1cc([N+](=O)[O-])ccc1O ZINC001624546524 1194002653 /nfs/dbraw/zinc/00/26/53/1194002653.db2.gz GRGSZJQVEFUKHC-UHFFFAOYSA-N 0 2 323.308 3.030 20 5 DGBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CC2CCC1CC2 ZINC001631863393 1194359296 /nfs/dbraw/zinc/35/92/96/1194359296.db2.gz XEJSKZSDRUSWBL-ZIULKBFBSA-N 0 2 318.373 3.245 20 5 DGBDLN CC(C)(C)c1csc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)n1 ZINC001637881583 1194691684 /nfs/dbraw/zinc/69/16/84/1194691684.db2.gz JQCWSPZULXAQSS-UHFFFAOYSA-N 0 2 321.358 3.307 20 5 DGBDLN CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC001641027454 1194836404 /nfs/dbraw/zinc/83/64/04/1194836404.db2.gz WYUYYEOOESIUEQ-UHFFFAOYSA-N 0 2 314.341 3.008 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCCC[C@H]1C1CC1 ZINC001153455044 1088252445 /nfs/dbraw/zinc/25/24/45/1088252445.db2.gz HRATWPOWXGKYHW-STQMWFEESA-N 0 2 304.346 3.455 20 5 DGBDLN Cc1ccccc1[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001153455837 1088252503 /nfs/dbraw/zinc/25/25/03/1088252503.db2.gz PANSXBSLARHXKD-LLVKDONJSA-N 0 2 300.314 3.351 20 5 DGBDLN CC[C@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC001293536549 1091256055 /nfs/dbraw/zinc/25/60/55/1091256055.db2.gz SOSAUFVLIFLNCY-KRWDZBQOSA-N 0 2 314.341 3.356 20 5 DGBDLN O=[N+]([O-])c1cccc(O)c1-c1nc(-c2ccc(F)c(F)c2)no1 ZINC001216845402 1094269171 /nfs/dbraw/zinc/26/91/71/1094269171.db2.gz MUBHMGPZJWGNLO-UHFFFAOYSA-N 0 2 319.223 3.296 20 5 DGBDLN COc1cccc(-c2noc(-c3c(O)cccc3[N+](=O)[O-])n2)c1 ZINC001216845195 1094269299 /nfs/dbraw/zinc/26/92/99/1094269299.db2.gz BLYSZKMRNDKWAK-UHFFFAOYSA-N 0 2 313.269 3.026 20 5 DGBDLN Cc1ccc(-c2nc(-c3ncccc3C)no2)c([N+](=O)[O-])c1O ZINC001216857062 1094271357 /nfs/dbraw/zinc/27/13/57/1094271357.db2.gz WYQITDDGPIDPET-UHFFFAOYSA-N 0 2 312.285 3.029 20 5 DGBDLN O=C(NCCCCc1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC001136110215 1094874494 /nfs/dbraw/zinc/87/44/94/1094874494.db2.gz CPPHMFSGDQBDHX-UHFFFAOYSA-N 0 2 314.341 3.053 20 5 DGBDLN O=[N+]([O-])c1c(O)cccc1O[C@H]1CCCN(c2ccccc2)C1 ZINC001225619591 1096485012 /nfs/dbraw/zinc/48/50/12/1096485012.db2.gz DLDKTCMLWJYKPC-AWEZNQCLSA-N 0 2 314.341 3.348 20 5 DGBDLN C[C@@H](COc1cccc(O)c1[N+](=O)[O-])OCc1ccccc1 ZINC001225619634 1096485451 /nfs/dbraw/zinc/48/54/51/1096485451.db2.gz FYCBRRKJUFUMLL-LBPRGKRZSA-N 0 2 303.314 3.285 20 5 DGBDLN O=[N+]([O-])c1c(O)cccc1O[C@@H]1CCc2c1nccc2Cl ZINC001225622201 1096486415 /nfs/dbraw/zinc/48/64/15/1096486415.db2.gz GKBKFRBKNSNEHC-LLVKDONJSA-N 0 2 306.705 3.415 20 5 DGBDLN COc1cccc(OC[C@@H](C)Oc2cccc(O)c2[N+](=O)[O-])c1 ZINC001225621039 1096486463 /nfs/dbraw/zinc/48/64/63/1096486463.db2.gz ZTDKXFTZBJHBAU-LLVKDONJSA-N 0 2 319.313 3.155 20 5 DGBDLN COc1ccc2c(c1)CC[C@H](Oc1cccc(O)c1[N+](=O)[O-])C2 ZINC001225626435 1096487536 /nfs/dbraw/zinc/48/75/36/1096487536.db2.gz QCWARAFRCLPIKJ-AWEZNQCLSA-N 0 2 315.325 3.245 20 5 DGBDLN CC[C@@H](Oc1nc(SC)[nH]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001227625179 1096963108 /nfs/dbraw/zinc/96/31/08/1096963108.db2.gz RSVPSPDTOJWLOZ-SNVBAGLBSA-N 0 2 321.358 3.342 20 5 DGBDLN C[C@@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])c1c(F)cccc1F ZINC001228967973 1097228632 /nfs/dbraw/zinc/22/86/32/1097228632.db2.gz FWUUNMDMVUXAKI-SSDOTTSWSA-N 0 2 311.240 3.424 20 5 DGBDLN CCOc1cc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC001174503052 1097752742 /nfs/dbraw/zinc/75/27/42/1097752742.db2.gz AJPYPYXSECPNJG-UHFFFAOYSA-N 0 2 317.301 3.139 20 5 DGBDLN CC(C)(C)c1ccc(OCc2nnc([C@@H]3C[C@H]3[N+](=O)[O-])o2)cc1 ZINC001327318503 1103622349 /nfs/dbraw/zinc/62/23/49/1103622349.db2.gz PQNQEIKICPDCLG-CHWSQXEVSA-N 0 2 317.345 3.079 20 5 DGBDLN COc1ccc(-c2nnc(-c3cc(O)ccc3[N+](=O)[O-])o2)cc1 ZINC001252022515 1105727456 /nfs/dbraw/zinc/72/74/56/1105727456.db2.gz NKUZUPDBADMAAA-UHFFFAOYSA-N 0 2 313.269 3.026 20 5 DGBDLN CC[C@H](C)C[C@@H](C)NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000088299697 185245097 /nfs/dbraw/zinc/24/50/97/185245097.db2.gz AMXLDROFJJCWBX-DTWKUNHWSA-N 0 2 300.305 3.428 20 5 DGBDLN Cc1ccc2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)ccc2n1 ZINC000092546678 185325350 /nfs/dbraw/zinc/32/53/50/185325350.db2.gz CAFMSIVMAJRPTI-UHFFFAOYSA-N 0 2 323.308 3.409 20 5 DGBDLN CC(C)[C@H]1C[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2O)CCO1 ZINC000272812045 210212363 /nfs/dbraw/zinc/21/23/63/210212363.db2.gz MAPZMLQOLVJOMS-XHDPSFHLSA-N 0 2 322.361 3.080 20 5 DGBDLN CN(CCCc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000181884641 529897034 /nfs/dbraw/zinc/89/70/34/529897034.db2.gz ZXAQXZUZQRJCBO-UHFFFAOYSA-N 0 2 314.341 3.005 20 5 DGBDLN Cc1cc(F)cc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000432205475 238121944 /nfs/dbraw/zinc/12/19/44/238121944.db2.gz ZEPSRHXGVXPGJS-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN C[C@@H](Cc1cccc(F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000180774701 432100378 /nfs/dbraw/zinc/10/03/78/432100378.db2.gz RRKNAMBGLHWMEG-JTQLQIEISA-N 0 2 318.304 3.257 20 5 DGBDLN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(F)c(F)c3)no2)cc1O ZINC000189932293 432106445 /nfs/dbraw/zinc/10/64/45/432106445.db2.gz LYLFRMKJOUVDSI-UHFFFAOYSA-N 0 2 319.223 3.296 20 5 DGBDLN CCC[C@H]1[C@H](C)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182059699 283996216 /nfs/dbraw/zinc/99/62/16/283996216.db2.gz LNCHDSTURKWCTB-RISCZKNCSA-N 0 2 306.362 3.341 20 5 DGBDLN O=C(Nc1cccc2ncccc21)c1ccc(O)c([N+](=O)[O-])c1 ZINC000105943191 284041662 /nfs/dbraw/zinc/04/16/62/284041662.db2.gz VZLZHPSTXIFSNA-UHFFFAOYSA-N 0 2 309.281 3.101 20 5 DGBDLN Cc1ccc([C@@H](C)N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000125756642 284283359 /nfs/dbraw/zinc/28/33/59/284283359.db2.gz INJIKQPTMIBWNR-GFCCVEGCSA-N 0 2 314.341 3.442 20 5 DGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000181842062 432146402 /nfs/dbraw/zinc/14/64/02/432146402.db2.gz ZPGKZEFEOMDZOC-SMDDNHRTSA-N 0 2 304.346 3.095 20 5 DGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(F)c2)cc1C ZINC000060436734 184149113 /nfs/dbraw/zinc/14/91/13/184149113.db2.gz NIBXSWIJMTVAHS-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN O=C(CNc1cccc(Cl)c1)Nc1cc([N+](=O)[O-])ccc1O ZINC000611294701 400374788 /nfs/dbraw/zinc/37/47/88/400374788.db2.gz RBFYXPJLPVCAGG-UHFFFAOYSA-N 0 2 321.720 3.004 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc2occc2s1 ZINC000611294825 400374914 /nfs/dbraw/zinc/37/49/14/400374914.db2.gz YZELALNSGOAPBU-UHFFFAOYSA-N 0 2 304.283 3.360 20 5 DGBDLN Cc1ccc([C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000132179835 400557366 /nfs/dbraw/zinc/55/73/66/400557366.db2.gz LMFUORURNDJANU-LBPRGKRZSA-N 0 2 314.341 3.142 20 5 DGBDLN CC(C)(C)c1cnc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)s1 ZINC000075182148 400562476 /nfs/dbraw/zinc/56/24/76/400562476.db2.gz VMURERNTVOJYTD-UHFFFAOYSA-N 0 2 321.358 3.307 20 5 DGBDLN Cc1ccc(C)c(-n2[nH]c(-c3ccc([N+](=O)[O-])cc3)cc2=O)c1 ZINC000603807821 400716818 /nfs/dbraw/zinc/71/68/18/400716818.db2.gz XSLMKEQJCNFKDV-UHFFFAOYSA-N 0 2 309.325 3.353 20 5 DGBDLN C[C@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])C1CCCCC1 ZINC000598439331 400813201 /nfs/dbraw/zinc/81/32/01/400813201.db2.gz JDJZEHFBQYHYJD-LLVKDONJSA-N 0 2 306.362 3.247 20 5 DGBDLN Cc1ccnc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1C1CC1 ZINC000598762824 400873882 /nfs/dbraw/zinc/87/38/82/400873882.db2.gz GLSFWZQQPVODGX-UHFFFAOYSA-N 0 2 313.313 3.134 20 5 DGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC2CC1(c1ccccc1)C2 ZINC000598554194 400829655 /nfs/dbraw/zinc/82/96/55/400829655.db2.gz HMJIGOFRAFYWEK-UHFFFAOYSA-N 0 2 324.336 3.062 20 5 DGBDLN CC(C)(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])CC(F)(F)F ZINC000598582326 400835704 /nfs/dbraw/zinc/83/57/04/400835704.db2.gz XLDYJNVFWMYFIY-UHFFFAOYSA-N 0 2 320.267 3.009 20 5 DGBDLN CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)CC(F)(F)F ZINC000598581434 400836073 /nfs/dbraw/zinc/83/60/73/400836073.db2.gz NPAKVRTZNXLSIR-UHFFFAOYSA-N 0 2 320.267 3.009 20 5 DGBDLN C[C@H]1C[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC[N@@H+]1C ZINC000599051692 400940374 /nfs/dbraw/zinc/94/03/74/400940374.db2.gz WAVUAUSDNUWFDH-WCQYABFASA-N 0 2 300.362 3.038 20 5 DGBDLN CCc1oc(C(=O)[O-])cc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000593732264 400900637 /nfs/dbraw/zinc/90/06/37/400900637.db2.gz LKFOFVLZXZOAOO-UHFFFAOYSA-N 0 2 318.329 3.080 20 5 DGBDLN CCc1oc(C(=O)[O-])cc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000593732264 400900643 /nfs/dbraw/zinc/90/06/43/400900643.db2.gz LKFOFVLZXZOAOO-UHFFFAOYSA-N 0 2 318.329 3.080 20 5 DGBDLN C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599073958 400952316 /nfs/dbraw/zinc/95/23/16/400952316.db2.gz ODQQIYYFMPAQIX-SUMWQHHRSA-N 0 2 303.406 3.262 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H]1c1ccsc1 ZINC000060674263 401133145 /nfs/dbraw/zinc/13/31/45/401133145.db2.gz JDYHRZUFFQZZSV-LBPRGKRZSA-N 0 2 318.354 3.339 20 5 DGBDLN Cc1cccc(CN(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)c1C ZINC000358745404 286140011 /nfs/dbraw/zinc/14/00/11/286140011.db2.gz OLWCKLDCGZODOC-UHFFFAOYSA-N 0 2 314.341 3.189 20 5 DGBDLN COc1cccc(-c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)c1 ZINC000191313248 165242816 /nfs/dbraw/zinc/24/28/16/165242816.db2.gz KCZAHOHXWAAQCZ-UHFFFAOYSA-N 0 2 313.269 3.026 20 5 DGBDLN C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000193240580 165320280 /nfs/dbraw/zinc/32/02/80/165320280.db2.gz MWHOZLZSAYSYDW-JTQLQIEISA-N 0 2 318.304 3.273 20 5 DGBDLN O=C(Nc1ccc(F)c(Cl)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000163978953 228263371 /nfs/dbraw/zinc/26/33/71/228263371.db2.gz JHUZVEZDRGJCIW-UHFFFAOYSA-N 0 2 310.668 3.345 20 5 DGBDLN COc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000175471900 228301692 /nfs/dbraw/zinc/30/16/92/228301692.db2.gz QAIYHTKRYWDBER-UHFFFAOYSA-N 0 2 322.704 3.215 20 5 DGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N(CC1CC1)C1CCCCC1 ZINC000179476555 228351993 /nfs/dbraw/zinc/35/19/93/228351993.db2.gz ZEXBIMWSQQJUJR-UHFFFAOYSA-N 0 2 318.373 3.485 20 5 DGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC2(C1)CCCCC2 ZINC000179518975 304503413 /nfs/dbraw/zinc/50/34/13/304503413.db2.gz JEMXEKXBLBGYES-UHFFFAOYSA-N 0 2 304.346 3.097 20 5 DGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC2(CCCCC2)CC1 ZINC000181959922 304503758 /nfs/dbraw/zinc/50/37/58/304503758.db2.gz KBTFVYFOKMMAFK-UHFFFAOYSA-N 0 2 318.373 3.487 20 5 DGBDLN C[C@H](c1ccccc1F)N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000074378752 431419391 /nfs/dbraw/zinc/41/93/91/431419391.db2.gz LLADJWBLJVLFMU-SNVBAGLBSA-N 0 2 318.304 3.273 20 5 DGBDLN C[C@H](c1ccccc1)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000080102338 431765425 /nfs/dbraw/zinc/76/54/25/431765425.db2.gz AUSUWMZMQXBIMM-RYUDHWBXSA-N 0 2 314.341 3.222 20 5 DGBDLN CCCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000031603192 431759965 /nfs/dbraw/zinc/75/99/65/431759965.db2.gz AKWYRURKUZIFPO-UHFFFAOYSA-N 0 2 316.313 3.342 20 5 DGBDLN CC(C)Oc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000183405949 432291420 /nfs/dbraw/zinc/29/14/20/432291420.db2.gz FSEFDIGLFOHGLJ-UHFFFAOYSA-N 0 2 316.313 3.340 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCCc2cc(F)ccc21 ZINC000183431458 432293249 /nfs/dbraw/zinc/29/32/49/432293249.db2.gz UEZHDYQJOIQKKR-UHFFFAOYSA-N 0 2 316.288 3.033 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCc2cc(F)ccc21 ZINC000184672062 432419813 /nfs/dbraw/zinc/41/98/13/432419813.db2.gz YPZXMAHSVJIKAK-UHFFFAOYSA-N 0 2 316.288 3.033 20 5 DGBDLN CC1CCC(N(C(=O)c2ccc([N+](=O)[O-])cc2O)C2CC2)CC1 ZINC000184710219 432424135 /nfs/dbraw/zinc/42/41/35/432424135.db2.gz KYRFOZFTBQMHBM-UHFFFAOYSA-N 0 2 318.373 3.484 20 5 DGBDLN C[C@@H]1c2ccccc2CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000177194016 432595608 /nfs/dbraw/zinc/59/56/08/432595608.db2.gz WMXNCAWTUWMGNJ-LLVKDONJSA-N 0 2 312.325 3.060 20 5 DGBDLN CCC1(CC)CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000189233281 432771635 /nfs/dbraw/zinc/77/16/35/432771635.db2.gz PCSZVENOSGGKTM-UHFFFAOYSA-N 0 2 306.362 3.343 20 5 DGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCCC12CCCCC2 ZINC000371640963 293219240 /nfs/dbraw/zinc/21/92/40/293219240.db2.gz BQQFVHKCRGKHGJ-UHFFFAOYSA-N 0 2 304.346 3.239 20 5 DGBDLN O=C(N[C@H]1CCCc2sccc21)c1cc([N+](=O)[O-])ccc1O ZINC000436808744 434116077 /nfs/dbraw/zinc/11/60/77/434116077.db2.gz QNZNTWRFOORRAH-LBPRGKRZSA-N 0 2 318.354 3.169 20 5 DGBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1c(F)cccc1F ZINC000436950914 434184694 /nfs/dbraw/zinc/18/46/94/434184694.db2.gz XGQDJRCNWLPAKQ-MRVPVSSYSA-N 0 2 322.267 3.070 20 5 DGBDLN CC[C@H](C)[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436985453 434194647 /nfs/dbraw/zinc/19/46/47/434194647.db2.gz DBKCNZOTFKZOCP-SMDDNHRTSA-N 0 2 306.362 3.341 20 5 DGBDLN O=C(NCCCCC1CCCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000440475993 434705686 /nfs/dbraw/zinc/70/56/86/434705686.db2.gz HECKZQYDVIFXLO-UHFFFAOYSA-N 0 2 306.362 3.391 20 5 DGBDLN Cc1cccc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC000480741316 435394102 /nfs/dbraw/zinc/39/41/02/435394102.db2.gz YEWKKYJMHIBHQJ-UHFFFAOYSA-N 0 2 320.370 3.321 20 5 DGBDLN O=C(Cc1coc2ccccc12)Nc1cc([N+](=O)[O-])ccc1O ZINC000516100258 435513596 /nfs/dbraw/zinc/51/35/96/435513596.db2.gz DYGHVTCLTDYMTD-UHFFFAOYSA-N 0 2 312.281 3.228 20 5 DGBDLN CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1C ZINC000548448624 435694003 /nfs/dbraw/zinc/69/40/03/435694003.db2.gz JVTUHYZBBVPPMN-UHFFFAOYSA-N 0 2 300.314 3.276 20 5 DGBDLN Cc1cccc(C)c1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000546218057 314296574 /nfs/dbraw/zinc/29/65/74/314296574.db2.gz RYKOEOAESBNZHO-LBPRGKRZSA-N 0 2 314.341 3.408 20 5 DGBDLN CSCc1ccccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000185072858 533866431 /nfs/dbraw/zinc/86/64/31/533866431.db2.gz HNUSIPFUJYHLFL-UHFFFAOYSA-N 0 2 318.354 3.416 20 5 DGBDLN C[C@@H](c1ccccc1F)N(C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000181870226 534127180 /nfs/dbraw/zinc/12/71/80/534127180.db2.gz OADWWBRIHDQMMG-JTQLQIEISA-N 0 2 318.304 3.273 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCc2c1cccc2Cl ZINC000158187213 534719277 /nfs/dbraw/zinc/71/92/77/534719277.db2.gz IZCPRTUKXWASSH-UHFFFAOYSA-N 0 2 318.716 3.157 20 5 DGBDLN CC(C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000182018752 527773921 /nfs/dbraw/zinc/77/39/21/527773921.db2.gz RWJOIDMHDCJECE-LBPRGKRZSA-N 0 2 306.362 3.199 20 5 DGBDLN CCCOc1ccccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000164089811 528774245 /nfs/dbraw/zinc/77/42/45/528774245.db2.gz PEFUKPCQSJVOBR-UHFFFAOYSA-N 0 2 316.313 3.342 20 5 DGBDLN CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000179525916 529218969 /nfs/dbraw/zinc/21/89/69/529218969.db2.gz DOSHRXHUVNWXNT-ZYHUDNBSSA-N 0 2 324.402 3.047 20 5 DGBDLN CC(C)CCn1ncc(Nc2ncc([N+](=O)[O-])cn2)c1C(C)C ZINC000487098405 534993808 /nfs/dbraw/zinc/99/38/08/534993808.db2.gz RTDGTHUAWJLAPT-UHFFFAOYSA-N 0 2 318.381 3.494 20 5 DGBDLN C[C@H](Cc1ccc(F)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000770859396 622676107 /nfs/dbraw/zinc/67/61/07/622676107.db2.gz ZQLBRTDHYWEXCW-SNVBAGLBSA-N 0 2 318.304 3.257 20 5 DGBDLN O=C(CSc1ccc([N+](=O)[O-])cc1)NOC1CCCCC1 ZINC000777959883 623591091 /nfs/dbraw/zinc/59/10/91/623591091.db2.gz IFXHAWDMXNIGCS-UHFFFAOYSA-N 0 2 310.375 3.067 20 5 DGBDLN C[C@H](c1ccccc1)N(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccccc1 ZINC000841071004 630404438 /nfs/dbraw/zinc/40/44/38/630404438.db2.gz BRZDTTDTQKDZLW-KBRIMQKVSA-N 0 2 310.353 3.446 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(Cl)c(Cl)[nH]1 ZINC000089540818 662245321 /nfs/dbraw/zinc/24/53/21/662245321.db2.gz ILNLSIWZHCWELB-UHFFFAOYSA-N 0 2 316.100 3.188 20 5 DGBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(Cc1ccccc1F)c1ccccc1 ZINC001352693683 1180381794 /nfs/dbraw/zinc/38/17/94/1180381794.db2.gz DGTBLGFPDWKEEZ-GDBMZVCRSA-N 0 2 314.316 3.024 20 5 DGBDLN CCS[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001445433159 1182146043 /nfs/dbraw/zinc/14/60/43/1182146043.db2.gz VWJSQHLNUOVYNR-TZMCWYRMSA-N 0 2 324.402 3.095 20 5 DGBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H](c2ccccc2)c2ccccc21 ZINC001462102720 1182908013 /nfs/dbraw/zinc/90/80/13/1182908013.db2.gz NCUNRRUAIPPLHR-QGPMSJSTSA-N 0 2 322.364 3.220 20 5 DGBDLN O=C(NC[C@H]1CCC=CCCC1)c1ccc([N+](=O)[O-])cc1O ZINC001606672460 1193202959 /nfs/dbraw/zinc/20/29/59/1193202959.db2.gz JSKBFMRJODQTAW-LBPRGKRZSA-N 0 2 304.346 3.167 20 5 DGBDLN O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1O ZINC001540485499 1188241300 /nfs/dbraw/zinc/24/13/00/1188241300.db2.gz LAMCJLQTXUYIDL-RWMBFGLXSA-N 0 2 318.373 3.389 20 5 DGBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CCC[C@@H](C)C1 ZINC001557041156 1189037719 /nfs/dbraw/zinc/03/77/19/1189037719.db2.gz UAACRXAGERFLFL-WOPDTQHZSA-N 0 2 306.362 3.245 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1C[C@]1(F)c1ccccc1 ZINC001567229934 1190082237 /nfs/dbraw/zinc/08/22/37/1190082237.db2.gz OAPSNESFVRDOBJ-LRDDRELGSA-N 0 2 316.288 3.124 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1coc2cc(O)ccc12 ZINC001567230200 1190082272 /nfs/dbraw/zinc/08/22/72/1190082272.db2.gz VUBVBCLWEASYCM-UHFFFAOYSA-N 0 2 314.253 3.005 20 5 DGBDLN CC1(C)CCC(CNC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC001624602506 1194005707 /nfs/dbraw/zinc/00/57/07/1194005707.db2.gz NHVSJVCQEPPMRV-UHFFFAOYSA-N 0 2 306.362 3.247 20 5 DGBDLN CC(C)[C@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC001627446664 1194129347 /nfs/dbraw/zinc/12/93/47/1194129347.db2.gz KFCGZAFKMQBUSH-NWDGAFQWSA-N 0 2 306.362 3.245 20 5 DGBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CC2CCC1CC2 ZINC001631863390 1194359103 /nfs/dbraw/zinc/35/91/03/1194359103.db2.gz XEJSKZSDRUSWBL-FLRBZUCHSA-N 0 2 318.373 3.245 20 5 DGBDLN O=C(Nc1cccc(Cl)c1O)c1c(F)cccc1[N+](=O)[O-] ZINC001633077223 1194420121 /nfs/dbraw/zinc/42/01/21/1194420121.db2.gz ORZXDJAABQMDRD-UHFFFAOYSA-N 0 2 310.668 3.345 20 5 DGBDLN Cc1ccccc1C1(NC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC001643475529 1195027741 /nfs/dbraw/zinc/02/77/41/1195027741.db2.gz UECFQQPNEVCWIT-UHFFFAOYSA-N 0 2 312.325 3.028 20 5 DGBDLN Cc1cc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)c(C)s1 ZINC001141555671 1092277256 /nfs/dbraw/zinc/27/72/56/1092277256.db2.gz REVSSTPHWSRISS-VIFPVBQESA-N 0 2 320.370 3.470 20 5 DGBDLN Cc1ccccc1OCCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001337107357 1094854318 /nfs/dbraw/zinc/85/43/18/1094854318.db2.gz AIDZNXHYEPJNJU-UHFFFAOYSA-N 0 2 316.313 3.016 20 5 DGBDLN CCC1(CNC(=O)c2ccc([N+](=O)[O-])cc2O)CCCCC1 ZINC001138079171 1095867314 /nfs/dbraw/zinc/86/73/14/1095867314.db2.gz YQJGRTAEOSENGG-UHFFFAOYSA-N 0 2 306.362 3.391 20 5 DGBDLN O=[N+]([O-])c1c(O)cccc1OC1CC(OCc2ccccc2)C1 ZINC001225619490 1096485511 /nfs/dbraw/zinc/48/55/11/1096485511.db2.gz BHJXWYNPRYQHQV-UHFFFAOYSA-N 0 2 315.325 3.427 20 5 DGBDLN COc1ccc([C@@H](C)Oc2cccc(O)c2[N+](=O)[O-])cc1OC ZINC001225620101 1096485545 /nfs/dbraw/zinc/48/55/45/1096485545.db2.gz MLMBRKNYBWGYES-SNVBAGLBSA-N 0 2 319.313 3.458 20 5 DGBDLN Cc1ccccc1OC[C@@H](C)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225620381 1096486551 /nfs/dbraw/zinc/48/65/51/1096486551.db2.gz PGUYSAHUGJELGW-GFCCVEGCSA-N 0 2 303.314 3.455 20 5 DGBDLN CCCC[C@H](CC)Oc1nc(SC)[nH]c(=O)c1[N+](=O)[O-] ZINC001227625492 1096962965 /nfs/dbraw/zinc/96/29/65/1096962965.db2.gz YGYXSCHNSBFEEV-QMMMGPOBSA-N 0 2 301.368 3.160 20 5 DGBDLN Cc1cccc(OC[C@H](C)Oc2cc(O)cc(O)c2[N+](=O)[O-])c1 ZINC001228973499 1097229934 /nfs/dbraw/zinc/22/99/34/1097229934.db2.gz JOUVPBOKHOVJMS-NSHDSACASA-N 0 2 319.313 3.161 20 5 DGBDLN O=[N+]([O-])c1c(O)cc(O)cc1O[C@@H]1CCc2c1cc(F)cc2F ZINC001228975049 1097230196 /nfs/dbraw/zinc/23/01/96/1097230196.db2.gz XULNZGHFBQGADO-CYBMUJFWSA-N 0 2 323.251 3.351 20 5 DGBDLN CCCSc1nc(O[C@H]2C=CCCC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229790781 1097387214 /nfs/dbraw/zinc/38/72/14/1097387214.db2.gz DIWCSKADWKRGFG-VIFPVBQESA-N 0 2 311.363 3.080 20 5 DGBDLN CCc1ccc(C)[nH+]c1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176672582 1098402476 /nfs/dbraw/zinc/40/24/76/1098402476.db2.gz NMQYNBWSAAKDIN-UHFFFAOYSA-N 0 2 301.302 3.302 20 5 DGBDLN Cc1cccc(C)c1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC001179360388 1099082145 /nfs/dbraw/zinc/08/21/45/1099082145.db2.gz GQTLQBCOEPXXLC-UHFFFAOYSA-N 0 2 314.341 3.189 20 5 DGBDLN Cc1cccc(-c2noc(Cc3ccc(O)c([N+](=O)[O-])c3)n2)c1 ZINC001247987090 1105028366 /nfs/dbraw/zinc/02/83/66/1105028366.db2.gz GQZBTGNTPDSOTI-UHFFFAOYSA-N 0 2 311.297 3.250 20 5 DGBDLN CC(=O)c1ccc2c(c1)nc(-c1cc(O)ccc1[N+](=O)[O-])n2C ZINC001250852720 1105594510 /nfs/dbraw/zinc/59/45/10/1105594510.db2.gz GRPMXHJQUYDLCK-UHFFFAOYSA-N 0 2 311.297 3.057 20 5 DGBDLN O=[N+]([O-])c1ccc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c1 ZINC001251930297 1105711201 /nfs/dbraw/zinc/71/12/01/1105711201.db2.gz KNOKWQFWTPUZFL-UHFFFAOYSA-N 0 2 315.260 3.080 20 5 DGBDLN O=C(Nc1cccc2ccc(O)cc21)c1ccc([N+](=O)[O-])cc1O ZINC000436996439 304007617 /nfs/dbraw/zinc/00/76/17/304007617.db2.gz KXQNTBRBKRHCSN-UHFFFAOYSA-N 0 2 324.292 3.412 20 5 DGBDLN CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c(C)c1 ZINC000132336054 432048407 /nfs/dbraw/zinc/04/84/07/432048407.db2.gz RUCHHEFXWBLSFG-UHFFFAOYSA-N 0 2 316.313 3.260 20 5 DGBDLN O=[N+]([O-])c1ccc(-c2nc([C@@H]3CCc4ccccc43)no2)cc1O ZINC000445231761 239397143 /nfs/dbraw/zinc/39/71/43/239397143.db2.gz FSGYVYLQWQUQHU-CYBMUJFWSA-N 0 2 323.308 3.429 20 5 DGBDLN O=[N+]([O-])c1ccc(-c2nc([C@H]3CCc4ccccc43)no2)cc1O ZINC000445231762 239397527 /nfs/dbraw/zinc/39/75/27/239397527.db2.gz FSGYVYLQWQUQHU-ZDUSSCGKSA-N 0 2 323.308 3.429 20 5 DGBDLN CC(C)CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CCCC1 ZINC000268672532 432118332 /nfs/dbraw/zinc/11/83/32/432118332.db2.gz DUWMXJNOAISPHY-UHFFFAOYSA-N 0 2 306.362 3.341 20 5 DGBDLN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(F)cc1F ZINC000436669676 533279682 /nfs/dbraw/zinc/27/96/82/533279682.db2.gz BFSUYWVBJNFQLX-MRVPVSSYSA-N 0 2 322.267 3.070 20 5 DGBDLN O=C(C[C@H]1CCc2ccccc21)Nc1cc([N+](=O)[O-])ccc1O ZINC000092549932 400181540 /nfs/dbraw/zinc/18/15/40/400181540.db2.gz YDXGXPAZGYOAFD-GFCCVEGCSA-N 0 2 312.325 3.359 20 5 DGBDLN CCOc1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)ccc1C ZINC000067179907 400150784 /nfs/dbraw/zinc/15/07/84/400150784.db2.gz ARJXNIUDKSSAAH-UHFFFAOYSA-N 0 2 316.313 3.260 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@H]1c1cccc(F)c1 ZINC000610358721 400249563 /nfs/dbraw/zinc/24/95/63/400249563.db2.gz HCMXZHYAGJBSMP-ZDUSSCGKSA-N 0 2 316.288 3.027 20 5 DGBDLN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)c2ccccc21 ZINC000610714568 400294950 /nfs/dbraw/zinc/29/49/50/400294950.db2.gz LBMIRLNTHSVCTG-UHFFFAOYSA-N 0 2 312.325 3.238 20 5 DGBDLN CC(C)Oc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000075289833 400570207 /nfs/dbraw/zinc/57/02/07/400570207.db2.gz YUVSLCRMHMTQSS-UHFFFAOYSA-N 0 2 316.313 3.340 20 5 DGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCCC2(CCCC2)CC1 ZINC000597956200 400704484 /nfs/dbraw/zinc/70/44/84/400704484.db2.gz SMZAOVIKJAYFCZ-UHFFFAOYSA-N 0 2 318.373 3.487 20 5 DGBDLN O=C(NC1CCC(C2CCC2)CC1)c1cccc(O)c1[N+](=O)[O-] ZINC000598451754 400815276 /nfs/dbraw/zinc/81/52/76/400815276.db2.gz ZEAUNWISNXSYDM-UHFFFAOYSA-N 0 2 318.373 3.389 20 5 DGBDLN CC[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000170810831 400775798 /nfs/dbraw/zinc/77/57/98/400775798.db2.gz VVTWYDRALNBQNK-AWEZNQCLSA-N 0 2 314.341 3.052 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@H]1c1ccsc1 ZINC000078360594 400792497 /nfs/dbraw/zinc/79/24/97/400792497.db2.gz JDYHRZUFFQZZSV-GFCCVEGCSA-N 0 2 318.354 3.339 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@H]1c1cccc(F)c1 ZINC000613978246 400822138 /nfs/dbraw/zinc/82/21/38/400822138.db2.gz HFABJXHVVYDDBT-AWEZNQCLSA-N 0 2 316.288 3.027 20 5 DGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CC2CC1(c1ccccc1)C2 ZINC000598556367 400830764 /nfs/dbraw/zinc/83/07/64/400830764.db2.gz UAVNFNJEXIGZHO-UHFFFAOYSA-N 0 2 324.336 3.062 20 5 DGBDLN CC1(C)CCC(C)(C)N(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000600225821 401228013 /nfs/dbraw/zinc/22/80/13/401228013.db2.gz BTJDTAWORSRCBU-UHFFFAOYSA-N 0 2 306.362 3.341 20 5 DGBDLN CS[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000180764303 164894405 /nfs/dbraw/zinc/89/44/05/164894405.db2.gz MPEWIGHXNZZVMX-CQSZACIVSA-N 0 2 318.354 3.343 20 5 DGBDLN CC(C)C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000188069119 279206570 /nfs/dbraw/zinc/20/65/70/279206570.db2.gz MRSNDJYROYNZKD-GFCCVEGCSA-N 0 2 306.362 3.341 20 5 DGBDLN CCS[C@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000078249244 431650973 /nfs/dbraw/zinc/65/09/73/431650973.db2.gz NJUIRXLFJXZPDW-FZMZJTMJSA-N 0 2 324.402 3.095 20 5 DGBDLN CC(C)[C@H]1N(C(=O)c2ccc([N+](=O)[O-])cc2O)CC12CCCC2 ZINC000457150399 280469855 /nfs/dbraw/zinc/46/98/55/280469855.db2.gz UBBVUSGYNVTHOJ-OAHLLOKOSA-N 0 2 318.373 3.341 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(Cl)ccc1F ZINC000089540801 431869907 /nfs/dbraw/zinc/86/99/07/431869907.db2.gz NYZVDSWTDNTGMT-UHFFFAOYSA-N 0 2 310.668 3.345 20 5 DGBDLN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1ccsc1 ZINC000174254197 432333505 /nfs/dbraw/zinc/33/35/05/432333505.db2.gz POUFRWMHIWDSNB-UHFFFAOYSA-N 0 2 318.763 3.111 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC2(C1)CCCCC2 ZINC000184819693 432436895 /nfs/dbraw/zinc/43/68/95/432436895.db2.gz GDLNKWKCTZTFDL-UHFFFAOYSA-N 0 2 304.346 3.097 20 5 DGBDLN CCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000187375797 432660222 /nfs/dbraw/zinc/66/02/22/432660222.db2.gz IMDCYCXKKNWRPZ-FZMZJTMJSA-N 0 2 306.362 3.341 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000178953878 432790885 /nfs/dbraw/zinc/79/08/85/432790885.db2.gz JKDXESIQWKDBPU-AAEUAGOBSA-N 0 2 304.346 3.095 20 5 DGBDLN C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266921610 432798731 /nfs/dbraw/zinc/79/87/31/432798731.db2.gz MGPQRAVCPHFOFW-CHWSQXEVSA-N 0 2 300.362 3.259 20 5 DGBDLN CCC1(CC)CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CCS1 ZINC000331231603 432936281 /nfs/dbraw/zinc/93/62/81/432936281.db2.gz ITXPVDIVIGATTF-UHFFFAOYSA-N 0 2 324.402 3.048 20 5 DGBDLN Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000351401035 433502126 /nfs/dbraw/zinc/50/21/26/433502126.db2.gz SRRFHMIGUDUGDD-AWEZNQCLSA-N 0 2 312.325 3.026 20 5 DGBDLN CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)[C@@H]1C(C)C ZINC000456327097 433593727 /nfs/dbraw/zinc/59/37/27/433593727.db2.gz IYFHCBUVRROMEB-DZGCQCFKSA-N 0 2 306.362 3.053 20 5 DGBDLN CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@H]1C(C)C ZINC000456358185 433614719 /nfs/dbraw/zinc/61/47/19/433614719.db2.gz YJPLEESOLVIUNB-ZFWWWQNUSA-N 0 2 306.362 3.053 20 5 DGBDLN CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@H]1C(C)C ZINC000456358182 433616021 /nfs/dbraw/zinc/61/60/21/433616021.db2.gz YJPLEESOLVIUNB-HIFRSBDPSA-N 0 2 306.362 3.053 20 5 DGBDLN CCc1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)ccc1F ZINC000436841843 434133759 /nfs/dbraw/zinc/13/37/59/434133759.db2.gz BGCQTUKDUNWZEB-UHFFFAOYSA-N 0 2 304.277 3.254 20 5 DGBDLN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1Cl ZINC000436859389 434143032 /nfs/dbraw/zinc/14/30/32/434143032.db2.gz BHXGTAHQGUKWKY-UHFFFAOYSA-N 0 2 322.704 3.215 20 5 DGBDLN O=C(Nc1cnc2ccccc2c1)c1ccc([N+](=O)[O-])cc1O ZINC000436859432 434144253 /nfs/dbraw/zinc/14/42/53/434144253.db2.gz KZIYKOOBKNFBRC-UHFFFAOYSA-N 0 2 309.281 3.101 20 5 DGBDLN O=C(Nc1ccc2scnc2c1)c1ccc([N+](=O)[O-])cc1O ZINC000436965526 434186933 /nfs/dbraw/zinc/18/69/33/434186933.db2.gz SXWLSNQRNOGJMF-UHFFFAOYSA-N 0 2 315.310 3.162 20 5 DGBDLN CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436985451 434192052 /nfs/dbraw/zinc/19/20/52/434192052.db2.gz DBKCNZOTFKZOCP-RISCZKNCSA-N 0 2 306.362 3.341 20 5 DGBDLN CCOCc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000353722277 434368488 /nfs/dbraw/zinc/36/84/88/434368488.db2.gz RYDJSXKUKYRTKB-UHFFFAOYSA-N 0 2 316.313 3.089 20 5 DGBDLN CC(C)[C@H](CC(F)(F)F)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000438625703 434522683 /nfs/dbraw/zinc/52/26/83/434522683.db2.gz QNLOJYWGPPQMOG-VIFPVBQESA-N 0 2 320.267 3.007 20 5 DGBDLN CSCc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000548448609 435694812 /nfs/dbraw/zinc/69/48/12/435694812.db2.gz DWJBLKWKQCWVKI-UHFFFAOYSA-N 0 2 318.354 3.416 20 5 DGBDLN CCc1cccc(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000132522383 312644739 /nfs/dbraw/zinc/64/47/39/312644739.db2.gz KXJYZWLACNQSCM-UHFFFAOYSA-N 0 2 300.314 3.424 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1Cc2cccc(Cl)c2C1 ZINC000377119499 313019058 /nfs/dbraw/zinc/01/90/58/313019058.db2.gz OXAJPSZPCRZOIZ-UHFFFAOYSA-N 0 2 318.716 3.110 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc2c(cccc2F)[nH]1 ZINC000089531274 518200854 /nfs/dbraw/zinc/20/08/54/518200854.db2.gz DDMMFNQAXMTTFC-UHFFFAOYSA-N 0 2 315.260 3.173 20 5 DGBDLN CCC(CC)c1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)on1 ZINC000183913088 528876336 /nfs/dbraw/zinc/87/63/36/528876336.db2.gz ZPNWHMHZXHLKOE-UHFFFAOYSA-N 0 2 319.317 3.444 20 5 DGBDLN CCCCC[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000489291504 535122216 /nfs/dbraw/zinc/12/22/16/535122216.db2.gz CJKXOBLNEJKQCV-CYBMUJFWSA-N 0 2 306.362 3.485 20 5 DGBDLN C[C@H](OC(=O)c1cc(F)c(O)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000759543127 621869689 /nfs/dbraw/zinc/86/96/89/621869689.db2.gz YNGYEUFPXUPBEO-QMMMGPOBSA-N 0 2 323.251 3.497 20 5 DGBDLN O=C(NCC1CCC2(CC2)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000871018105 622535469 /nfs/dbraw/zinc/53/54/69/622535469.db2.gz CAWVADRUNHUQRR-UHFFFAOYSA-N 0 2 304.346 3.001 20 5 DGBDLN O=C(C[C@@H]1CCC(F)(F)C1)Nc1cc([N+](=O)[O-])ccc1O ZINC000797958857 626184601 /nfs/dbraw/zinc/18/46/01/626184601.db2.gz UPYLIPWHQJQNDN-QMMMGPOBSA-N 0 2 300.261 3.064 20 5 DGBDLN Cc1ccc(N(Cc2ccco2)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1C ZINC000840333564 627851989 /nfs/dbraw/zinc/85/19/89/627851989.db2.gz DQQISYCXVGAVFZ-HZPDHXFCSA-N 0 2 314.341 3.095 20 5 DGBDLN CC(C)N(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000841149114 630411706 /nfs/dbraw/zinc/41/17/06/630411706.db2.gz FTWKLKSDFWEQLL-VXGBXAGGSA-N 0 2 316.279 3.112 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1conc1C1CCCC1 ZINC001447268734 1182185822 /nfs/dbraw/zinc/18/58/22/1182185822.db2.gz RIHACOMKIPKBME-UHFFFAOYSA-N 0 2 317.301 3.198 20 5 DGBDLN C[C@@H](NC(=O)c1cccc(Cl)c1O)c1ccc([N+](=O)[O-])cc1 ZINC001462728521 1182989976 /nfs/dbraw/zinc/98/99/76/1182989976.db2.gz AMWGOIJMSGRICN-SECBINFHSA-N 0 2 320.732 3.445 20 5 DGBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CCC[C@H](C)C1 ZINC001557041155 1189037906 /nfs/dbraw/zinc/03/79/06/1189037906.db2.gz UAACRXAGERFLFL-SRVKXCTJSA-N 0 2 306.362 3.245 20 5 DGBDLN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(F)cc(F)c1O ZINC001570465641 1190864704 /nfs/dbraw/zinc/86/47/04/1190864704.db2.gz IPCBTKSGMSVYFV-UHFFFAOYSA-N 0 2 308.240 3.139 20 5 DGBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1Cl ZINC001623359294 1193929367 /nfs/dbraw/zinc/92/93/67/1193929367.db2.gz BOYJMJSJSBYRAP-SECBINFHSA-N 0 2 320.732 3.445 20 5 DGBDLN C[C@@H](CCc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001628414778 1194177106 /nfs/dbraw/zinc/17/71/06/1194177106.db2.gz NEFJLHHYXYDDHS-LBPRGKRZSA-N 0 2 314.341 3.052 20 5 DGBDLN CCOc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)ccc1C ZINC001640538275 1194818766 /nfs/dbraw/zinc/81/87/66/1194818766.db2.gz CAFKNLZAXQXBLK-UHFFFAOYSA-N 0 2 316.313 3.260 20 5 DGBDLN Cc1nccc2c(NC(=O)c3ccc([N+](=O)[O-])cc3O)cccc12 ZINC001154606365 1088672100 /nfs/dbraw/zinc/67/21/00/1088672100.db2.gz ZHSBTASKCQDLJX-UHFFFAOYSA-N 0 2 323.308 3.409 20 5 DGBDLN O=[N+]([O-])c1cccc(Nc2nnc(Br)s2)c1F ZINC001210378566 1093147184 /nfs/dbraw/zinc/14/71/84/1093147184.db2.gz JWEXGUSTESXDPM-UHFFFAOYSA-N 0 2 319.115 3.092 20 5 DGBDLN O=[N+]([O-])c1ccc(O)cc1-c1nc(-c2cc(F)ccc2F)no1 ZINC001216678709 1094247601 /nfs/dbraw/zinc/24/76/01/1094247601.db2.gz RMYGQKSLXCIOFQ-UHFFFAOYSA-N 0 2 319.223 3.296 20 5 DGBDLN O=C(c1ccco1)[C@@H](Oc1ncccc1[N+](=O)[O-])c1ccco1 ZINC001225593391 1096477124 /nfs/dbraw/zinc/47/71/24/1096477124.db2.gz PSCBAJOORROICH-AWEZNQCLSA-N 0 2 314.253 3.179 20 5 DGBDLN CC1(C)CC(Oc2cccc(O)c2[N+](=O)[O-])CC(C)(C)N1O ZINC001225624196 1096487510 /nfs/dbraw/zinc/48/75/10/1096487510.db2.gz VXZRJMYDXKGPQQ-UHFFFAOYSA-N 0 2 310.350 3.090 20 5 DGBDLN CSc1nc(O[C@@H]2CCC=CCCC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227625347 1096963427 /nfs/dbraw/zinc/96/34/27/1096963427.db2.gz WFWRSZQXFJIJFM-SECBINFHSA-N 0 2 311.363 3.080 20 5 DGBDLN CSc1nc(O[C@H](C)c2ccc(C)cc2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227627931 1096964527 /nfs/dbraw/zinc/96/45/27/1096964527.db2.gz KOPLEYXZPFRUAT-SECBINFHSA-N 0 2 321.358 3.261 20 5 DGBDLN Cc1cccc2c1CC[C@@H]2Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228968731 1097229034 /nfs/dbraw/zinc/22/90/34/1097229034.db2.gz ONTACUCMGQZKGB-AWEZNQCLSA-N 0 2 301.298 3.381 20 5 DGBDLN CCCSc1nc(O[C@H](C)C(C)C)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229792962 1097387201 /nfs/dbraw/zinc/38/72/01/1097387201.db2.gz VLYRIDLXQYQDCQ-MRVPVSSYSA-N 0 2 301.368 3.016 20 5 DGBDLN O=C(c1cccc(Cl)c1O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001319827255 1108654328 /nfs/dbraw/zinc/65/43/28/1108654328.db2.gz QSIMAJZMHQPSAC-UHFFFAOYSA-N 0 2 318.716 3.110 20 5 DGBDLN CC[C@@H](C)c1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)on1 ZINC000183910244 529429521 /nfs/dbraw/zinc/42/95/21/529429521.db2.gz CSFZDIAKYRLMNK-MRVPVSSYSA-N 0 2 305.290 3.054 20 5 DGBDLN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cccs1 ZINC000132312165 529569373 /nfs/dbraw/zinc/56/93/73/529569373.db2.gz XCDBDMFCTRLXOJ-JTQLQIEISA-N 0 2 306.343 3.243 20 5 DGBDLN COc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)ccc1Cl ZINC000092550156 185325380 /nfs/dbraw/zinc/32/53/80/185325380.db2.gz BPVMOTNGTBAWJL-UHFFFAOYSA-N 0 2 322.704 3.215 20 5 DGBDLN C[C@H](OC1CCCCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092549007 185325535 /nfs/dbraw/zinc/32/55/35/185325535.db2.gz LXAFPBQOLIHBSC-NSHDSACASA-N 0 2 322.361 3.367 20 5 DGBDLN Cc1sc(S(=O)(=O)Nc2ccccc2C)cc1[N+](=O)[O-] ZINC000163905323 432044673 /nfs/dbraw/zinc/04/46/73/432044673.db2.gz XXKLAUYGEFDNDR-UHFFFAOYSA-N 0 2 312.372 3.074 20 5 DGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@H]1C1CCCCC1 ZINC000179439770 432058361 /nfs/dbraw/zinc/05/83/61/432058361.db2.gz DPKWJUJIFZICBM-HNNXBMFYSA-N 0 2 318.373 3.485 20 5 DGBDLN Cc1cccc(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000180038419 432076744 /nfs/dbraw/zinc/07/67/44/432076744.db2.gz QQKQRWONKODSEC-UHFFFAOYSA-N 0 2 314.341 3.274 20 5 DGBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc2ccoc2c1 ZINC000442855613 239137827 /nfs/dbraw/zinc/13/78/27/239137827.db2.gz XLYVAVYEWPCNQH-UHFFFAOYSA-N 0 2 318.310 3.142 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H](c1ccccc1)C1CC1 ZINC000092547544 284007214 /nfs/dbraw/zinc/00/72/14/284007214.db2.gz PQUBXUPLZJEYRH-MRXNPFEDSA-N 0 2 312.325 3.433 20 5 DGBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(F)cc1F ZINC000018015876 182089765 /nfs/dbraw/zinc/08/97/65/182089765.db2.gz UZBNJEDOVLUWNG-MRVPVSSYSA-N 0 2 322.267 3.070 20 5 DGBDLN O=C(/C=C\c1ccc(Cl)nc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000255419426 285155010 /nfs/dbraw/zinc/15/50/10/285155010.db2.gz PSBPITMDNCXYPX-KXFIGUGUSA-N 0 2 319.704 3.001 20 5 DGBDLN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccs1 ZINC000357337457 285722329 /nfs/dbraw/zinc/72/23/29/285722329.db2.gz IBVUHHJNKKLDRC-UHFFFAOYSA-N 0 2 312.372 3.020 20 5 DGBDLN Cc1cccc([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000092545925 400179940 /nfs/dbraw/zinc/17/99/40/400179940.db2.gz ZJFKAVDPBLXDHY-LLVKDONJSA-N 0 2 300.314 3.351 20 5 DGBDLN CCCC[C@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000609045503 400138002 /nfs/dbraw/zinc/13/80/02/400138002.db2.gz QQSVUTQIBDEXLM-WCQYABFASA-N 0 2 306.362 3.389 20 5 DGBDLN CCC[C@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000609122475 400141249 /nfs/dbraw/zinc/14/12/49/400141249.db2.gz LLOGPTBETUOJGR-AAEUAGOBSA-N 0 2 306.362 3.389 20 5 DGBDLN O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000610650048 400284623 /nfs/dbraw/zinc/28/46/23/400284623.db2.gz OOWJVPKUBNQYNF-OUCADQQQSA-N 0 2 318.373 3.389 20 5 DGBDLN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2C)c([N+](=O)[O-])c1 ZINC000158556496 400725683 /nfs/dbraw/zinc/72/56/83/400725683.db2.gz OLYPLTHXPFAWTK-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@@H](C2CCCCC2)C1 ZINC000598153037 400753154 /nfs/dbraw/zinc/75/31/54/400753154.db2.gz LDMVTWNLUAWZSX-CYBMUJFWSA-N 0 2 318.373 3.343 20 5 DGBDLN O=c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1-c1ccc(F)cc1F ZINC000603807645 400717402 /nfs/dbraw/zinc/71/74/02/400717402.db2.gz GOUUNMQWRZIUNT-UHFFFAOYSA-N 0 2 317.251 3.014 20 5 DGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCCC[C@H]1CC1CCC1 ZINC000598462399 400816878 /nfs/dbraw/zinc/81/68/78/400816878.db2.gz PKZCYTCKCKMASX-ZDUSSCGKSA-N 0 2 318.373 3.485 20 5 DGBDLN Cc1cccc2c1CCCN2C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000613956540 400817976 /nfs/dbraw/zinc/81/79/76/400817976.db2.gz HJVWODPTIBSEHQ-UHFFFAOYSA-N 0 2 312.325 3.202 20 5 DGBDLN CCC1(CC)CCCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000598220939 400763018 /nfs/dbraw/zinc/76/30/18/400763018.db2.gz RUSUDKODUWEZEM-UHFFFAOYSA-N 0 2 306.362 3.343 20 5 DGBDLN Cc1cc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cn2c1 ZINC000619878274 400912425 /nfs/dbraw/zinc/91/24/25/400912425.db2.gz DQYWQCURRAFNHR-UHFFFAOYSA-N 0 2 311.297 3.114 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1OC1CC1 ZINC000362962254 286881881 /nfs/dbraw/zinc/88/18/81/286881881.db2.gz BQMUBEVTLMJRFJ-UHFFFAOYSA-N 0 2 314.297 3.094 20 5 DGBDLN COc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1F ZINC000186026565 165025363 /nfs/dbraw/zinc/02/53/63/165025363.db2.gz SKJPPNMWDLKWRT-UHFFFAOYSA-N 0 2 320.276 3.009 20 5 DGBDLN CSc1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000164018138 228263317 /nfs/dbraw/zinc/26/33/17/228263317.db2.gz ATBBSFJEXVALJM-UHFFFAOYSA-N 0 2 304.327 3.275 20 5 DGBDLN CCC1CN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC000457282587 278653779 /nfs/dbraw/zinc/65/37/79/278653779.db2.gz TYZVKLHEACWFTG-UHFFFAOYSA-N 0 2 311.341 3.139 20 5 DGBDLN CSCc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000075290618 431464815 /nfs/dbraw/zinc/46/48/15/431464815.db2.gz GOZSUHJGMXLTIA-UHFFFAOYSA-N 0 2 318.354 3.416 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(-n2cccc2)cc1 ZINC000075285416 431466195 /nfs/dbraw/zinc/46/61/95/431466195.db2.gz KAVMMVVEZFJERD-UHFFFAOYSA-N 0 2 323.308 3.343 20 5 DGBDLN O=C(/C=C/SCc1ccco1)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546593 431909767 /nfs/dbraw/zinc/90/97/67/431909767.db2.gz PLNKWFWGZIEPPE-FNORWQNLSA-N 0 2 320.326 3.279 20 5 DGBDLN O=C(/C=C/c1ccc(Cl)nc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546611 431909986 /nfs/dbraw/zinc/90/99/86/431909986.db2.gz PSBPITMDNCXYPX-QHHAFSJGSA-N 0 2 319.704 3.001 20 5 DGBDLN CC(C)CC[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184930072 432445850 /nfs/dbraw/zinc/44/58/50/432445850.db2.gz VOTDPGWDHNHRME-GFCCVEGCSA-N 0 2 306.362 3.341 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H]1C1CCCCC1 ZINC000184676451 432418707 /nfs/dbraw/zinc/41/87/07/432418707.db2.gz QRWRLGTWBICIFJ-HNNXBMFYSA-N 0 2 318.373 3.485 20 5 DGBDLN Cc1cccc([C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000157217749 432617500 /nfs/dbraw/zinc/61/75/00/432617500.db2.gz NLCFVSHPMATCPF-LBPRGKRZSA-N 0 2 314.341 3.142 20 5 DGBDLN O=C(C[C@@H]1C[C@@H]1c1ccccc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000354524934 433127533 /nfs/dbraw/zinc/12/75/33/433127533.db2.gz ICMWSXKWXBARHT-GXTWGEPZSA-N 0 2 312.325 3.433 20 5 DGBDLN O=C(N[C@@H](c1ccccc1)C(F)F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000351509315 433539848 /nfs/dbraw/zinc/53/98/48/433539848.db2.gz XRYOFXYSKMRAQV-ZDUSSCGKSA-N 0 2 322.267 3.037 20 5 DGBDLN CC(C)[C@H]1N(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC12CCCC2 ZINC000457159565 434022910 /nfs/dbraw/zinc/02/29/10/434022910.db2.gz GUPIDECELXEHLO-OAHLLOKOSA-N 0 2 318.373 3.341 20 5 DGBDLN CCS[C@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000436682965 434066286 /nfs/dbraw/zinc/06/62/86/434066286.db2.gz XALWRGNGVSTKTQ-PWSUYJOCSA-N 0 2 324.402 3.095 20 5 DGBDLN CCS[C@@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000436682967 434068355 /nfs/dbraw/zinc/06/83/55/434068355.db2.gz XALWRGNGVSTKTQ-ZYHUDNBSSA-N 0 2 324.402 3.095 20 5 DGBDLN Cc1ccc(S(=O)(=O)Nc2ccc(C)c(F)c2)c([N+](=O)[O-])c1 ZINC000509629630 294358754 /nfs/dbraw/zinc/35/87/54/294358754.db2.gz WFMHPPURGVHSSF-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN Cc1cc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)c(C)o1 ZINC000436870129 434145672 /nfs/dbraw/zinc/14/56/72/434145672.db2.gz OVGBMKAMJBMNGO-VIFPVBQESA-N 0 2 304.302 3.001 20 5 DGBDLN O=C(N[C@H](c1ccccc1)C(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000436888454 434151080 /nfs/dbraw/zinc/15/10/80/434151080.db2.gz SEEZZNYYAPZSLZ-CYBMUJFWSA-N 0 2 322.267 3.037 20 5 DGBDLN CSc1ccc(N(C)C(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000436963151 434183050 /nfs/dbraw/zinc/18/30/50/434183050.db2.gz KAZQDZHJEIQBGG-UHFFFAOYSA-N 0 2 318.354 3.299 20 5 DGBDLN CC(C)[C@@H](CC(F)(F)F)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000438612605 434519365 /nfs/dbraw/zinc/51/93/65/434519365.db2.gz PYHWKESZSOBXIT-SNVBAGLBSA-N 0 2 320.267 3.007 20 5 DGBDLN Cc1cscc1-c1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000445624802 434818357 /nfs/dbraw/zinc/81/83/57/434818357.db2.gz UHFMDIVXVGTBPK-UHFFFAOYSA-N 0 2 303.299 3.387 20 5 DGBDLN O=C(Nc1c(F)cc(Cl)cc1F)c1ccc([N+](=O)[O-])o1 ZINC000180358591 323227473 /nfs/dbraw/zinc/22/74/73/323227473.db2.gz HHBYFFQLYWOVPZ-UHFFFAOYSA-N 0 2 302.620 3.372 20 5 DGBDLN O=C(Nc1cccc2cnccc21)c1ccc(O)c([N+](=O)[O-])c1 ZINC000161691702 534375303 /nfs/dbraw/zinc/37/53/03/534375303.db2.gz SQUSMLKKFWUBDJ-UHFFFAOYSA-N 0 2 309.281 3.101 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N(CC1CC1)c1ccccc1 ZINC000184855569 534719841 /nfs/dbraw/zinc/71/98/41/534719841.db2.gz NXUGXWJYBMZCRS-UHFFFAOYSA-N 0 2 312.325 3.357 20 5 DGBDLN CC(C)(C)C(=O)CCCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000297437203 527562707 /nfs/dbraw/zinc/56/27/07/527562707.db2.gz ILVHUTATCUHKGR-UHFFFAOYSA-N 0 2 308.334 3.024 20 5 DGBDLN CCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(F)cc1 ZINC000176448302 529086779 /nfs/dbraw/zinc/08/67/79/529086779.db2.gz JWUYKYABVJBFDK-UHFFFAOYSA-N 0 2 304.277 3.106 20 5 DGBDLN CC[C@H](C)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)C(F)(F)F ZINC000444538115 529217856 /nfs/dbraw/zinc/21/78/56/529217856.db2.gz BWXJBPQFLDBDGY-WRWORJQWSA-N 0 2 320.267 3.007 20 5 DGBDLN CCS[C@H]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000179525927 529232702 /nfs/dbraw/zinc/23/27/02/529232702.db2.gz DOSHRXHUVNWXNT-PWSUYJOCSA-N 0 2 324.402 3.047 20 5 DGBDLN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)cc1 ZINC000736419189 574748874 /nfs/dbraw/zinc/74/88/74/574748874.db2.gz QARRBAFZCMOXSU-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000827948357 629007087 /nfs/dbraw/zinc/00/70/87/629007087.db2.gz DDRCERBERXYKDQ-NSHDSACASA-N 0 2 312.325 3.370 20 5 DGBDLN C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000827948357 629007091 /nfs/dbraw/zinc/00/70/91/629007091.db2.gz DDRCERBERXYKDQ-NSHDSACASA-N 0 2 312.325 3.370 20 5 DGBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(-c2ccc(C(F)(F)F)c(F)c2)no1 ZINC000842488736 630540691 /nfs/dbraw/zinc/54/06/91/630540691.db2.gz UCKZUWFXKRISLP-HZGVNTEJSA-N 0 2 317.198 3.027 20 5 DGBDLN CCC1(CC)CCc2nc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])sc2C1 ZINC001584514041 1192201169 /nfs/dbraw/zinc/20/11/69/1192201169.db2.gz SJMMGUZSMUIUHR-MWLCHTKSSA-N 0 2 323.418 3.042 20 5 DGBDLN CCOc1cc(NC(=O)c2cccc(F)c2O)ccc1[N+](=O)[O-] ZINC001585932460 1192293164 /nfs/dbraw/zinc/29/31/64/1192293164.db2.gz KXZDNEFSAWSCKW-UHFFFAOYSA-N 0 2 320.276 3.091 20 5 DGBDLN Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c2ncccc12 ZINC001466629226 1183215394 /nfs/dbraw/zinc/21/53/94/1183215394.db2.gz VZLLDNGACPKOIJ-UHFFFAOYSA-N 0 2 323.308 3.409 20 5 DGBDLN C[C@@H](CSC(F)(F)F)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001556080560 1188982967 /nfs/dbraw/zinc/98/29/67/1188982967.db2.gz KCYQVESSQCHWLG-LURJTMIESA-N 0 2 324.280 3.128 20 5 DGBDLN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)c(O)c1 ZINC001557176771 1189047028 /nfs/dbraw/zinc/04/70/28/1189047028.db2.gz MYLMWVAPSPYOAF-UHFFFAOYSA-N 0 2 321.720 3.248 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1C[C@H]1c1ccsc1 ZINC001624546517 1194003183 /nfs/dbraw/zinc/00/31/83/1194003183.db2.gz GCTUVFVCJRTAAZ-WDEREUQCSA-N 0 2 304.327 3.104 20 5 DGBDLN Cc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC001625302719 1194042435 /nfs/dbraw/zinc/04/24/35/1194042435.db2.gz JXOZHZDAFUAVGS-LLVKDONJSA-N 0 2 300.314 3.100 20 5 DGBDLN CC(C)[C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC001627446663 1194129218 /nfs/dbraw/zinc/12/92/18/1194129218.db2.gz KFCGZAFKMQBUSH-NEPJUHHUSA-N 0 2 306.362 3.245 20 5 DGBDLN CCSc1cccnc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001632236738 1194378715 /nfs/dbraw/zinc/37/87/15/1194378715.db2.gz VETFYZUFQTYCAZ-UHFFFAOYSA-N 0 2 319.342 3.060 20 5 DGBDLN Cc1cccc(-c2noc(-c3cc(O)ccc3[N+](=O)[O-])n2)c1F ZINC001216678467 1094247901 /nfs/dbraw/zinc/24/79/01/1094247901.db2.gz FZEGMRXRUCCOPJ-UHFFFAOYSA-N 0 2 315.260 3.465 20 5 DGBDLN Cc1cccc2c1CC[C@H]2NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001136713355 1095132950 /nfs/dbraw/zinc/13/29/50/1095132950.db2.gz BGPSDOFIBFXLIV-OAHLLOKOSA-N 0 2 312.325 3.026 20 5 DGBDLN Cc1ccc2ccnc(NC(=O)c3ccc([N+](=O)[O-])cc3O)c2c1 ZINC001144063655 1095491259 /nfs/dbraw/zinc/49/12/59/1095491259.db2.gz FKEGSRFLMUYXFR-UHFFFAOYSA-N 0 2 323.308 3.409 20 5 DGBDLN C[C@H](Oc1cccc(O)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001225620112 1096485279 /nfs/dbraw/zinc/48/52/79/1096485279.db2.gz MSHGFJVOFGGJGY-VIFPVBQESA-N 0 2 304.258 3.349 20 5 DGBDLN CSc1nc(O[C@@H](C)c2cccc(C)c2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227627756 1096964657 /nfs/dbraw/zinc/96/46/57/1096964657.db2.gz IYKZTGQPPZMXKY-VIFPVBQESA-N 0 2 321.358 3.261 20 5 DGBDLN Cc1ccc2c(c1)[C@@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])CC2 ZINC001228968829 1097229121 /nfs/dbraw/zinc/22/91/21/1097229121.db2.gz RAILJGHJJXPQMC-AWEZNQCLSA-N 0 2 301.298 3.381 20 5 DGBDLN CSc1cc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc[nH+]1 ZINC001174504195 1097753821 /nfs/dbraw/zinc/75/38/21/1097753821.db2.gz XQIHXBNHXKSKJL-UHFFFAOYSA-N 0 2 305.315 3.154 20 5 DGBDLN CCn1c2cc(F)ccc2nc1-c1cc(O)ccc1[N+](=O)[O-] ZINC001250854056 1105594480 /nfs/dbraw/zinc/59/44/80/1105594480.db2.gz NEIGKBRWGOOJQK-UHFFFAOYSA-N 0 2 301.277 3.476 20 5 DGBDLN COc1cc(O)c(-c2nc3cccc(F)c3n2C)cc1[N+](=O)[O-] ZINC001251779124 1105694604 /nfs/dbraw/zinc/69/46/04/1105694604.db2.gz ZCCBMSLDFAOZKQ-UHFFFAOYSA-N 0 2 317.276 3.002 20 5 DGBDLN CC(C)(Oc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001319743037 1108620003 /nfs/dbraw/zinc/62/00/03/1108620003.db2.gz PRJAZZBDOKLFIY-UHFFFAOYSA-N 0 2 316.313 3.097 20 5 DGBDLN Cc1noc(C)c1[C@H](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546129 185325045 /nfs/dbraw/zinc/32/50/45/185325045.db2.gz YJSQGLOFRTZSLX-MRVPVSSYSA-N 0 2 319.317 3.038 20 5 DGBDLN CC(C)c1ncc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)s1 ZINC000092550031 185325566 /nfs/dbraw/zinc/32/55/66/185325566.db2.gz RDEMXROKKRZVMV-UHFFFAOYSA-N 0 2 307.331 3.133 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@H]1C1CCCCC1 ZINC000080375755 192152430 /nfs/dbraw/zinc/15/24/30/192152430.db2.gz GFBXJIJVIYCCRP-CQSZACIVSA-N 0 2 318.373 3.485 20 5 DGBDLN CC[C@H](C)[C@H](C)N(C(=O)c1cc([N+](=O)[O-])ccc1O)C1CC1 ZINC000179482697 199043769 /nfs/dbraw/zinc/04/37/69/199043769.db2.gz GODQUGSRKPNXJY-QWRGUYRKSA-N 0 2 306.362 3.340 20 5 DGBDLN CS[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000180764155 432097968 /nfs/dbraw/zinc/09/79/68/432097968.db2.gz MPEWIGHXNZZVMX-AWEZNQCLSA-N 0 2 318.354 3.343 20 5 DGBDLN CCC[C@]1(C)CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000173246475 284053831 /nfs/dbraw/zinc/05/38/31/284053831.db2.gz VMOHLBIPYSGUHR-MRXNPFEDSA-N 0 2 306.362 3.343 20 5 DGBDLN Cc1cccc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1 ZINC000480206928 244700532 /nfs/dbraw/zinc/70/05/32/244700532.db2.gz BXHQZNUHMCIWGA-UHFFFAOYSA-N 0 2 320.370 3.321 20 5 DGBDLN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000245609902 284830620 /nfs/dbraw/zinc/83/06/20/284830620.db2.gz NPUVDSUQBSEVTA-JTNHKYCSSA-N 0 2 304.346 3.094 20 5 DGBDLN CC[C@H]1CCCC[C@H]1OCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000344071449 254220671 /nfs/dbraw/zinc/22/06/71/254220671.db2.gz WRTUSRCSHXEFES-XHDPSFHLSA-N 0 2 322.361 3.224 20 5 DGBDLN Cc1nc(Nc2cn(C)nc2C2CCCCC2)ncc1[N+](=O)[O-] ZINC000294941715 224326866 /nfs/dbraw/zinc/32/68/66/224326866.db2.gz LPXZTQIBLKLRLV-UHFFFAOYSA-N 0 2 316.365 3.218 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(F)cc(Cl)c1 ZINC000356294820 285377007 /nfs/dbraw/zinc/37/70/07/285377007.db2.gz ODXGXMJQHWCDDS-UHFFFAOYSA-N 0 2 310.668 3.345 20 5 DGBDLN O=C(NC1CCC(C2CCC2)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000598450351 400814712 /nfs/dbraw/zinc/81/47/12/400814712.db2.gz DWKPKSRCOZJFIB-UHFFFAOYSA-N 0 2 318.373 3.389 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC2CC1(c1ccccc1)C2 ZINC000598556482 400830246 /nfs/dbraw/zinc/83/02/46/400830246.db2.gz VNJAZHWDPDRHJT-UHFFFAOYSA-N 0 2 324.336 3.062 20 5 DGBDLN O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000599072931 400950873 /nfs/dbraw/zinc/95/08/73/400950873.db2.gz COILPYSFUZLKPZ-WMLDXEAASA-N 0 2 315.417 3.189 20 5 DGBDLN CC1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCC(F)(F)CC1 ZINC000599713198 401123977 /nfs/dbraw/zinc/12/39/77/401123977.db2.gz FYNIQFUKQYCIOM-UHFFFAOYSA-N 0 2 314.288 3.455 20 5 DGBDLN CCS[C@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000174912022 286720820 /nfs/dbraw/zinc/72/08/20/286720820.db2.gz YYIDXNMQUKAKPV-NEPJUHHUSA-N 0 2 324.402 3.095 20 5 DGBDLN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)[C@@H]1c1ccccc1 ZINC000179524939 296914993 /nfs/dbraw/zinc/91/49/93/296914993.db2.gz MLNPWVZQYPEQDN-BZNIZROVSA-N 0 2 312.325 3.134 20 5 DGBDLN Cc1ccc([C@H](C)N(C)C(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000181871557 228365248 /nfs/dbraw/zinc/36/52/48/228365248.db2.gz HNGBAUQACYWOJA-LBPRGKRZSA-N 0 2 314.341 3.442 20 5 DGBDLN O=C(Nc1ccc2scnc2c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000185743417 228397195 /nfs/dbraw/zinc/39/71/95/228397195.db2.gz SCHQHOHMSDOMGI-UHFFFAOYSA-N 0 2 315.310 3.162 20 5 DGBDLN CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc2cc[nH]c2c1 ZINC000352368158 265020589 /nfs/dbraw/zinc/02/05/89/265020589.db2.gz SSOBQYNAFLWSRU-UHFFFAOYSA-N 0 2 311.297 3.058 20 5 DGBDLN CC(C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000114800290 431413171 /nfs/dbraw/zinc/41/31/71/431413171.db2.gz RDWNABXZYGXWPW-GFCCVEGCSA-N 0 2 306.362 3.199 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@H]1c1ccccc1 ZINC000073801208 431383376 /nfs/dbraw/zinc/38/33/76/431383376.db2.gz QAAOZTDHARQSQP-CQSZACIVSA-N 0 2 312.325 3.278 20 5 DGBDLN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1Cl ZINC000016639496 431614107 /nfs/dbraw/zinc/61/41/07/431614107.db2.gz SRBMBBPHNXAIGF-UHFFFAOYSA-N 0 2 322.704 3.215 20 5 DGBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H](C)c1ccccc1 ZINC000080102328 431765198 /nfs/dbraw/zinc/76/51/98/431765198.db2.gz AUSUWMZMQXBIMM-NWDGAFQWSA-N 0 2 314.341 3.222 20 5 DGBDLN CC(C)c1cccnc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436903297 280650178 /nfs/dbraw/zinc/65/01/78/280650178.db2.gz VYHZUPORUMVYDK-UHFFFAOYSA-N 0 2 301.302 3.071 20 5 DGBDLN Cc1ccc(C)c(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000089531155 431869407 /nfs/dbraw/zinc/86/94/07/431869407.db2.gz NBCNMHJLSCSNMW-UHFFFAOYSA-N 0 2 300.314 3.098 20 5 DGBDLN CCC(CC)c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)on1 ZINC000089531756 431869559 /nfs/dbraw/zinc/86/95/59/431869559.db2.gz KDILITKINBPXKG-UHFFFAOYSA-N 0 2 319.317 3.444 20 5 DGBDLN COc1cccc(Cl)c1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000089541169 431869789 /nfs/dbraw/zinc/86/97/89/431869789.db2.gz BSDVLJNPQFGOIW-UHFFFAOYSA-N 0 2 322.704 3.215 20 5 DGBDLN O=C(CCCc1cccs1)Nc1cc([N+](=O)[O-])ccc1O ZINC000089531451 431869892 /nfs/dbraw/zinc/86/98/92/431869892.db2.gz KKAIDZICKHWKMD-UHFFFAOYSA-N 0 2 306.343 3.323 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(F)c(Cl)c1 ZINC000092546095 431910073 /nfs/dbraw/zinc/91/00/73/431910073.db2.gz XJXZGHDSPJQTGR-UHFFFAOYSA-N 0 2 310.668 3.345 20 5 DGBDLN COc1cc(Cl)ccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000059354286 431999303 /nfs/dbraw/zinc/99/93/03/431999303.db2.gz ZQHMXJDJZLRIOL-UHFFFAOYSA-N 0 2 322.704 3.215 20 5 DGBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cccc(F)c1F ZINC000153847035 432448945 /nfs/dbraw/zinc/44/89/45/432448945.db2.gz HGYMXCLFGWFNST-QMMMGPOBSA-N 0 2 322.267 3.070 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC2(CCCCC2)CC1 ZINC000184737180 432427437 /nfs/dbraw/zinc/42/74/37/432427437.db2.gz TYIZYQRPUVBBBN-UHFFFAOYSA-N 0 2 318.373 3.487 20 5 DGBDLN C[C@H]1c2ccsc2CCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000272323090 432481222 /nfs/dbraw/zinc/48/12/22/432481222.db2.gz BKEJIUFIZFTLGB-VIFPVBQESA-N 0 2 318.354 3.121 20 5 DGBDLN Cc1cc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)ccc1Cl ZINC000349858593 433023670 /nfs/dbraw/zinc/02/36/70/433023670.db2.gz QLGIPUNKAWULES-UHFFFAOYSA-N 0 2 320.732 3.192 20 5 DGBDLN CC[C@@H](C)n1ncc(Nc2ncc([N+](=O)[O-])cn2)c1C1CC1 ZINC000354570962 433155832 /nfs/dbraw/zinc/15/58/32/433155832.db2.gz PDKVSCDAGUJVDW-SECBINFHSA-N 0 2 302.338 3.173 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCCC(F)(F)C1 ZINC000282420514 433602403 /nfs/dbraw/zinc/60/24/03/433602403.db2.gz INTSFBMZMUQJIZ-QMMMGPOBSA-N 0 2 300.261 3.064 20 5 DGBDLN CC(C)[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1cccnc1 ZINC000436152830 433889599 /nfs/dbraw/zinc/88/95/99/433889599.db2.gz KOBPHBVEAFRLKP-OAHLLOKOSA-N 0 2 315.329 3.074 20 5 DGBDLN O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCc2cc(Cl)ccc21 ZINC000436556106 434010841 /nfs/dbraw/zinc/01/08/41/434010841.db2.gz OQUGJQHKBQAZAQ-UHFFFAOYSA-N 0 2 318.716 3.157 20 5 DGBDLN CC(C)C1CCC(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000479364310 435328366 /nfs/dbraw/zinc/32/83/66/435328366.db2.gz ICKZVDZYIMSDMK-UHFFFAOYSA-N 0 2 306.362 3.245 20 5 DGBDLN CCc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1C ZINC000538756075 435519836 /nfs/dbraw/zinc/51/98/36/435519836.db2.gz HABOMRHBXJAPOV-UHFFFAOYSA-N 0 2 320.370 3.266 20 5 DGBDLN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H]2CCCC[C@H]12 ZINC000547859805 435654009 /nfs/dbraw/zinc/65/40/09/435654009.db2.gz QKSVUSXMFRVINE-UXIGCNINSA-N 0 2 318.373 3.341 20 5 DGBDLN Cc1ccc[nH+]c1CCCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000571213560 435685590 /nfs/dbraw/zinc/68/55/90/435685590.db2.gz IJWGIYRIDPPMEW-UHFFFAOYSA-N 0 2 315.329 3.041 20 5 DGBDLN CC(C)(C)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)C(F)(F)F ZINC000541862088 314043570 /nfs/dbraw/zinc/04/35/70/314043570.db2.gz VJSBJKXTCOGPHU-LLVKDONJSA-N 0 2 320.267 3.007 20 5 DGBDLN Cn1ccc2c1cccc2NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000544494388 314195605 /nfs/dbraw/zinc/19/56/05/314195605.db2.gz SHJNZRVIFSNXIK-UHFFFAOYSA-N 0 2 311.297 3.044 20 5 DGBDLN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccccc2Cl)cc1 ZINC000192713963 323457820 /nfs/dbraw/zinc/45/78/20/323457820.db2.gz OCQISELCCCIKOX-UHFFFAOYSA-N 0 2 312.734 3.049 20 5 DGBDLN C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179400750 534059177 /nfs/dbraw/zinc/05/91/77/534059177.db2.gz URWLSMHUHXZQTM-JTQLQIEISA-N 0 2 318.304 3.273 20 5 DGBDLN COc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1Cl ZINC000163985151 534170484 /nfs/dbraw/zinc/17/04/84/534170484.db2.gz NQFGSNHMNUYDAL-UHFFFAOYSA-N 0 2 322.704 3.215 20 5 DGBDLN CC(C)(C)c1csc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)n1 ZINC000160100490 526838612 /nfs/dbraw/zinc/83/86/12/526838612.db2.gz OSJILNIWPQURAZ-UHFFFAOYSA-N 0 2 321.358 3.307 20 5 DGBDLN CC(C)Cc1c[nH]c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000413650508 528636436 /nfs/dbraw/zinc/63/64/36/528636436.db2.gz VNFONCJJUBMXOX-UHFFFAOYSA-N 0 2 303.318 3.079 20 5 DGBDLN CCc1ccc(-c2csc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])n2)s1 ZINC000839477402 621379361 /nfs/dbraw/zinc/37/93/61/621379361.db2.gz ZXVGDXVPQXMALS-PSASIEDQSA-N 0 2 323.399 3.038 20 5 DGBDLN O=C(Nc1cc(Cl)c(O)cc1F)c1ccccc1[N+](=O)[O-] ZINC000805260058 622111099 /nfs/dbraw/zinc/11/10/99/622111099.db2.gz YOWKILPVUCMPRK-UHFFFAOYSA-N 0 2 310.668 3.345 20 5 DGBDLN O=C(Nc1ccc(O)c2ccccc12)c1ccc([N+](=O)[O-])cc1O ZINC000776107525 623378305 /nfs/dbraw/zinc/37/83/05/623378305.db2.gz IRRVVWCKJXPNQG-UHFFFAOYSA-N 0 2 324.292 3.412 20 5 DGBDLN Cc1nc2c(cccc2C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)o1 ZINC000792310606 625936114 /nfs/dbraw/zinc/93/61/14/625936114.db2.gz HCFROKXFSVEVCF-UHFFFAOYSA-N 0 2 313.269 3.002 20 5 DGBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(-c2cccc3c2ccn3C(F)F)no1 ZINC000817104972 627855771 /nfs/dbraw/zinc/85/57/71/627855771.db2.gz DWJJDGMCWPGCFV-MWLCHTKSSA-N 0 2 320.255 3.219 20 5 DGBDLN CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccccc1Oc1ccccc1 ZINC001434919311 1181778635 /nfs/dbraw/zinc/77/86/35/1181778635.db2.gz KEOVECIXYYTTJF-UKRRQHHQSA-N 0 2 312.325 3.107 20 5 DGBDLN CCS[C@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001445433153 1182146036 /nfs/dbraw/zinc/14/60/36/1182146036.db2.gz VWJSQHLNUOVYNR-JSGCOSHPSA-N 0 2 324.402 3.095 20 5 DGBDLN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(F)cc1 ZINC001466321934 1183198800 /nfs/dbraw/zinc/19/88/00/1183198800.db2.gz SBJLOIOGXDGMNS-AWEZNQCLSA-N 0 2 318.304 3.321 20 5 DGBDLN C[C@@H]1CCc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC001540435109 1188239310 /nfs/dbraw/zinc/23/93/10/1188239310.db2.gz DDJXTJXFSQNERF-LLVKDONJSA-N 0 2 312.325 3.282 20 5 DGBDLN Cc1ccc2c(c1)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)CC2 ZINC001628327857 1194172890 /nfs/dbraw/zinc/17/28/90/1194172890.db2.gz HYBCARYSBXJZHJ-OAHLLOKOSA-N 0 2 312.325 3.026 20 5 DGBDLN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(F)cc(F)c2O)c1 ZINC001638361349 1194714079 /nfs/dbraw/zinc/71/40/79/1194714079.db2.gz ZPROYNCKYWAGLN-UHFFFAOYSA-N 0 2 308.240 3.139 20 5 DGBDLN Cc1ccccc1C[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001153454558 1088253777 /nfs/dbraw/zinc/25/37/77/1088253777.db2.gz AABHMXAUSIKHPI-GFCCVEGCSA-N 0 2 314.341 3.426 20 5 DGBDLN Cc1cccc(-c2noc(-c3ccc(C)c(O)c3[N+](=O)[O-])n2)n1 ZINC001216856869 1094270262 /nfs/dbraw/zinc/27/02/62/1094270262.db2.gz RSAWRQKGMDOOAZ-UHFFFAOYSA-N 0 2 312.285 3.029 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(F)c2occc21 ZINC001138013585 1095832835 /nfs/dbraw/zinc/83/28/35/1095832835.db2.gz RUBJBXZKIILBQE-UHFFFAOYSA-N 0 2 316.244 3.438 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCc2cc(F)ccc21 ZINC001138013149 1095834527 /nfs/dbraw/zinc/83/45/27/1095834527.db2.gz ICSKGKTUJYSIQI-CYBMUJFWSA-N 0 2 316.288 3.108 20 5 DGBDLN Cc1cc2nc3nc(=O)[nH]c(O[C@@H](C)C4CC4)c3nc2cc1C ZINC001228681766 1097166258 /nfs/dbraw/zinc/16/62/58/1097166258.db2.gz OOCHTJIEKXKSTH-JTQLQIEISA-N 0 2 310.357 3.073 20 5 DGBDLN C[C@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])c1cccc(F)c1F ZINC001228972956 1097229853 /nfs/dbraw/zinc/22/98/53/1097229853.db2.gz FNPNUOHVZOECGR-ZETCQYMHSA-N 0 2 311.240 3.424 20 5 DGBDLN O=C([O-])c1ccc(Nc2cccc(-n3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC001174504266 1097753778 /nfs/dbraw/zinc/75/37/78/1097753778.db2.gz ILNOGBRHTJUVKX-UHFFFAOYSA-N 0 2 324.296 3.222 20 5 DGBDLN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccc(F)cc1F ZINC001319984204 1106759171 /nfs/dbraw/zinc/75/91/71/1106759171.db2.gz VWZGELVGILYROC-QMMMGPOBSA-N 0 2 322.267 3.321 20 5 DGBDLN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc(Cl)c1O ZINC001264207002 1108434462 /nfs/dbraw/zinc/43/44/62/1108434462.db2.gz HRNWCVZGPZXJIY-UHFFFAOYSA-N 0 2 310.668 3.345 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C(C1CCC1)C1CCC1 ZINC000318930535 231176906 /nfs/dbraw/zinc/17/69/06/231176906.db2.gz UTJNHRZUDRZFAN-UHFFFAOYSA-N 0 2 304.346 3.455 20 5 DGBDLN C[C@@H](Cc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546170 185325289 /nfs/dbraw/zinc/32/52/89/185325289.db2.gz LLDQDDHDWYIZNN-NSHDSACASA-N 0 2 300.314 3.118 20 5 DGBDLN CN(CCCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000130459871 432025381 /nfs/dbraw/zinc/02/53/81/432025381.db2.gz CAGZTDXCBBCPDS-UHFFFAOYSA-N 0 2 314.341 3.005 20 5 DGBDLN Cc1sc(S(=O)(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000163908419 432044925 /nfs/dbraw/zinc/04/49/25/432044925.db2.gz URANJVRPXWNJTR-UHFFFAOYSA-N 0 2 312.372 3.074 20 5 DGBDLN CC[C@H](C)[C@@H](C)N(C(=O)c1cc([N+](=O)[O-])ccc1O)C1CC1 ZINC000179482684 199042911 /nfs/dbraw/zinc/04/29/11/199042911.db2.gz GODQUGSRKPNXJY-WDEREUQCSA-N 0 2 306.362 3.340 20 5 DGBDLN C[C@H](NCc1ccccc1[N+](=O)[O-])c1nc2ccccc2n1C ZINC000194619319 201263421 /nfs/dbraw/zinc/26/34/21/201263421.db2.gz XESVHZNNPLISEZ-LBPRGKRZSA-N 0 2 310.357 3.332 20 5 DGBDLN Cc1cccc(O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000059315842 184137005 /nfs/dbraw/zinc/13/70/05/184137005.db2.gz RQOPYBTXJWAJNN-LLVKDONJSA-N 0 2 316.313 3.015 20 5 DGBDLN CSc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000180770482 533034036 /nfs/dbraw/zinc/03/40/36/533034036.db2.gz UXKVMMQYSHHMIB-UHFFFAOYSA-N 0 2 304.327 3.275 20 5 DGBDLN Cc1ccc(S(=O)(=O)Nc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000120487733 195176480 /nfs/dbraw/zinc/17/64/80/195176480.db2.gz PXLHYCKKMYGSRA-UHFFFAOYSA-N 0 2 312.372 3.074 20 5 DGBDLN C[C@H](CN(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1 ZINC000067178108 400150885 /nfs/dbraw/zinc/15/08/85/400150885.db2.gz YUVLKFXHJPMEQP-GFCCVEGCSA-N 0 2 314.341 3.176 20 5 DGBDLN O=C(N[C@@H](c1ccccc1)C1CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000031041166 400337119 /nfs/dbraw/zinc/33/71/19/400337119.db2.gz INYLSLSFEYAYCQ-INIZCTEOSA-N 0 2 312.325 3.182 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc2ccsc2[nH]1 ZINC000611294631 400374936 /nfs/dbraw/zinc/37/49/36/400374936.db2.gz DTYFNTBICJGTTE-UHFFFAOYSA-N 0 2 303.299 3.096 20 5 DGBDLN CC(C)[C@H]1CCC2=NN(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 ZINC000601930652 400377784 /nfs/dbraw/zinc/37/77/84/400377784.db2.gz CHGAYPALMVQJDK-FZMZJTMJSA-N 0 2 301.346 3.370 20 5 DGBDLN Cc1sc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])nc1C(C)C ZINC000597893732 400688952 /nfs/dbraw/zinc/68/89/52/400688952.db2.gz GNMIRCAYHUKGHZ-UHFFFAOYSA-N 0 2 321.358 3.441 20 5 DGBDLN Cc1ccc(CN2N=C(c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 ZINC000603921009 400733336 /nfs/dbraw/zinc/73/33/36/400733336.db2.gz KOAYMHRSVINEGR-UHFFFAOYSA-N 0 2 309.325 3.040 20 5 DGBDLN Cc1ccc(Cn2[nH]c(-c3ccc([N+](=O)[O-])cc3)cc2=O)cc1 ZINC000603921009 400733339 /nfs/dbraw/zinc/73/33/39/400733339.db2.gz KOAYMHRSVINEGR-UHFFFAOYSA-N 0 2 309.325 3.040 20 5 DGBDLN CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000604490793 400780169 /nfs/dbraw/zinc/78/01/69/400780169.db2.gz ZIWFLXZCHZWDPZ-UHFFFAOYSA-N 0 2 314.341 3.008 20 5 DGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC[C@@H]2CCCC[C@@H]21 ZINC000598569443 400831671 /nfs/dbraw/zinc/83/16/71/400831671.db2.gz NNMBLNBHKOFJCZ-AAEUAGOBSA-N 0 2 304.346 3.095 20 5 DGBDLN O=[N+]([O-])c1ccc(-c2nc(Cc3cccs3)no2)cc1O ZINC000358716401 286132047 /nfs/dbraw/zinc/13/20/47/286132047.db2.gz UOKZCNWEJFPBNZ-UHFFFAOYSA-N 0 2 303.299 3.003 20 5 DGBDLN Cc1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)sc1C ZINC000360043366 286413430 /nfs/dbraw/zinc/41/34/30/286413430.db2.gz XPUYMDDPLSQNAA-UHFFFAOYSA-N 0 2 312.372 3.074 20 5 DGBDLN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@H]1c1ccccc1 ZINC000175186565 296921302 /nfs/dbraw/zinc/92/13/02/296921302.db2.gz QXWPXFYAIJGJJG-BDJLRTHQSA-N 0 2 312.325 3.134 20 5 DGBDLN O=C(Nc1ccc2ncsc2c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000160030564 228244624 /nfs/dbraw/zinc/24/46/24/228244624.db2.gz SSZNKAKEKZKVMS-UHFFFAOYSA-N 0 2 315.310 3.162 20 5 DGBDLN O=C(NCc1ccc([N+](=O)[O-])cc1)c1cc(F)cc(Cl)c1O ZINC000177087989 228324602 /nfs/dbraw/zinc/32/46/02/228324602.db2.gz KRAAJYHGKOZKRL-UHFFFAOYSA-N 0 2 324.695 3.023 20 5 DGBDLN C[C@H](c1ccccc1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179398876 228350917 /nfs/dbraw/zinc/35/09/17/228350917.db2.gz PJHFOCDJVROUFW-LLVKDONJSA-N 0 2 300.314 3.134 20 5 DGBDLN Cc1cc(C)cc(N(C)C(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000183450767 228374559 /nfs/dbraw/zinc/37/45/59/228374559.db2.gz CJWMZPRGWGUPCS-UHFFFAOYSA-N 0 2 300.314 3.194 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc2c(s1)CCCC2 ZINC000216596908 263834955 /nfs/dbraw/zinc/83/49/55/263834955.db2.gz RTWDVPMYBBTQDB-UHFFFAOYSA-N 0 2 318.354 3.493 20 5 DGBDLN CC(C)(C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000436920215 277230527 /nfs/dbraw/zinc/23/05/27/277230527.db2.gz OKYRWHFAAYCXSL-LLVKDONJSA-N 0 2 306.362 3.199 20 5 DGBDLN CC(C)(C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000436920216 277255643 /nfs/dbraw/zinc/25/56/43/277255643.db2.gz OKYRWHFAAYCXSL-NSHDSACASA-N 0 2 306.362 3.199 20 5 DGBDLN CC1CC(c2ccc(F)cc2)CN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000332107515 279002766 /nfs/dbraw/zinc/00/27/66/279002766.db2.gz FLSYFEURASWUOR-PWSUYJOCSA-N 0 2 317.320 3.080 20 5 DGBDLN C[C@@H](c1ccccc1F)N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000074378747 431419205 /nfs/dbraw/zinc/41/92/05/431419205.db2.gz LLADJWBLJVLFMU-JTQLQIEISA-N 0 2 318.304 3.273 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H]1c1ccccc1 ZINC000073801206 431383277 /nfs/dbraw/zinc/38/32/77/431383277.db2.gz QAAOZTDHARQSQP-AWEZNQCLSA-N 0 2 312.325 3.278 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1c(F)cccc1Cl ZINC000075283652 431465316 /nfs/dbraw/zinc/46/53/16/431465316.db2.gz WHXBPFGQUQDMBU-UHFFFAOYSA-N 0 2 310.668 3.345 20 5 DGBDLN CCSc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cn1 ZINC000089531529 431869493 /nfs/dbraw/zinc/86/94/93/431869493.db2.gz MGUULIDHRNYVNZ-UHFFFAOYSA-N 0 2 319.342 3.060 20 5 DGBDLN CC(C)CN(CC(C)(C)C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184579228 432408105 /nfs/dbraw/zinc/40/81/05/432408105.db2.gz BUBHJPISZSSRHI-UHFFFAOYSA-N 0 2 308.378 3.445 20 5 DGBDLN CC(C)CN(C(=O)c1cc([N+](=O)[O-])ccc1O)C1CCCC1 ZINC000272455228 432506343 /nfs/dbraw/zinc/50/63/43/432506343.db2.gz WUKYYTIHSDWKMU-UHFFFAOYSA-N 0 2 306.362 3.341 20 5 DGBDLN CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000156114457 432589722 /nfs/dbraw/zinc/58/97/22/432589722.db2.gz DEBNIIKXZLJDDI-YPMHNXCESA-N 0 2 306.362 3.341 20 5 DGBDLN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cc(F)c(O)c(F)c1 ZINC000186401260 432590488 /nfs/dbraw/zinc/59/04/88/432590488.db2.gz XAOQRMAAJJQGRS-UHFFFAOYSA-N 0 2 322.267 3.448 20 5 DGBDLN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(F)c2)c1[N+](=O)[O-] ZINC000189224548 432772602 /nfs/dbraw/zinc/77/26/02/432772602.db2.gz OPZGWQMLHRCHHN-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000162877058 432836868 /nfs/dbraw/zinc/83/68/68/432836868.db2.gz MOUGUIGDLQFTRW-VXGBXAGGSA-N 0 2 324.402 3.047 20 5 DGBDLN O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000332592045 433010220 /nfs/dbraw/zinc/01/02/20/433010220.db2.gz JUIKAOLMHCNSKR-FRRDWIJNSA-N 0 2 318.373 3.389 20 5 DGBDLN Cc1cccc(C)c1[C@@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354790365 433274874 /nfs/dbraw/zinc/27/48/74/433274874.db2.gz KVJSFFYIQTYZHY-GFCCVEGCSA-N 0 2 314.341 3.408 20 5 DGBDLN CCC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccccn1 ZINC000339352268 433527696 /nfs/dbraw/zinc/52/76/96/433527696.db2.gz LIBMYZNYRKBDTQ-LBPRGKRZSA-N 0 2 315.329 3.218 20 5 DGBDLN Cc1ccsc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000356673679 433647401 /nfs/dbraw/zinc/64/74/01/433647401.db2.gz BBLONRQGVNFHDV-UHFFFAOYSA-N 0 2 312.372 3.074 20 5 DGBDLN CSc1c(F)cccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000436159558 433893833 /nfs/dbraw/zinc/89/38/33/433893833.db2.gz YVGWXEZJKUJVBJ-UHFFFAOYSA-N 0 2 322.317 3.414 20 5 DGBDLN CC(C)[C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000508529445 294324605 /nfs/dbraw/zinc/32/46/05/294324605.db2.gz AWZYWUPVADPCKM-YPMHNXCESA-N 0 2 306.362 3.245 20 5 DGBDLN O=C(N[C@H](c1ccccc1)C(F)F)c1ccc([N+](=O)[O-])cc1O ZINC000436884411 434149654 /nfs/dbraw/zinc/14/96/54/434149654.db2.gz BZZLFEVJBQDGSW-CYBMUJFWSA-N 0 2 322.267 3.037 20 5 DGBDLN CSc1ccc(N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436982018 434193223 /nfs/dbraw/zinc/19/32/23/434193223.db2.gz WLYBLRXKYWAPIM-UHFFFAOYSA-N 0 2 318.354 3.299 20 5 DGBDLN C[C@H](N=c1nc(C(C)(C)C)[nH]s1)c1ccc([N+](=O)[O-])cc1 ZINC000450560655 434267766 /nfs/dbraw/zinc/26/77/66/434267766.db2.gz PXZZZJBGPYUYMG-VIFPVBQESA-N 0 2 306.391 3.339 20 5 DGBDLN O=C(NCc1c(F)cccc1Cl)c1ccc([N+](=O)[O-])c(O)c1 ZINC000353799407 434439503 /nfs/dbraw/zinc/43/95/03/434439503.db2.gz WZRCUIVIHVZGSQ-UHFFFAOYSA-N 0 2 324.695 3.023 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H]1C1CCCC1 ZINC000184685032 304533104 /nfs/dbraw/zinc/53/31/04/304533104.db2.gz PLDJQFZKCOFTPF-CQSZACIVSA-N 0 2 304.346 3.095 20 5 DGBDLN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@@H]2CCCC[C@H]12 ZINC000530680548 313395955 /nfs/dbraw/zinc/39/59/55/313395955.db2.gz KZMKKIXRTFKYES-MRVWCRGKSA-N 0 2 318.373 3.341 20 5 DGBDLN CSCc1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000544560164 314198495 /nfs/dbraw/zinc/19/84/95/314198495.db2.gz CSELOYOLTLTONZ-UHFFFAOYSA-N 0 2 318.354 3.416 20 5 DGBDLN C[C@H](CC1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000428070012 533782991 /nfs/dbraw/zinc/78/29/91/533782991.db2.gz MPCURFOFIUDDOM-LLVKDONJSA-N 0 2 306.362 3.389 20 5 DGBDLN CCS[C@H]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000179525907 529233958 /nfs/dbraw/zinc/23/39/58/529233958.db2.gz DOSHRXHUVNWXNT-JQWIXIFHSA-N 0 2 324.402 3.047 20 5 DGBDLN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)cc1 ZINC000754948618 620585832 /nfs/dbraw/zinc/58/58/32/620585832.db2.gz JSUFPVKZSUDTNR-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN Cc1ccc(C(F)(F)C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000780994619 624007994 /nfs/dbraw/zinc/00/79/94/624007994.db2.gz UWJXJQVVJMXLSX-UHFFFAOYSA-N 0 2 322.267 3.339 20 5 DGBDLN COc1ccc(NC(=O)c2cccc(Cl)c2O)cc1[N+](=O)[O-] ZINC000782810792 624283333 /nfs/dbraw/zinc/28/33/33/624283333.db2.gz NDPADDNKFRQUPL-UHFFFAOYSA-N 0 2 322.704 3.215 20 5 DGBDLN Cc1ccc([C@@H](c2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)C(C)C)cc1 ZINC000842505055 630542722 /nfs/dbraw/zinc/54/27/22/630542722.db2.gz VGTYIFOVSWFTFQ-MCIONIFRSA-N 0 2 301.346 3.299 20 5 DGBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(C2(c3ccccc3F)CCCC2)no1 ZINC000842503407 630542728 /nfs/dbraw/zinc/54/27/28/630542728.db2.gz KCZRLIPOHXEFER-ZWNOBZJWSA-N 0 2 317.320 3.201 20 5 DGBDLN O=C(Nc1cccc2c1CCCC2)c1ccc([N+](=O)[O-])cc1O ZINC001440825654 1182049244 /nfs/dbraw/zinc/04/92/44/1182049244.db2.gz FSPRBTCAWPBBEM-UHFFFAOYSA-N 0 2 312.325 3.432 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc2ccncc2s1 ZINC001610894762 1193416034 /nfs/dbraw/zinc/41/60/34/1193416034.db2.gz CEQGANNAUIOEQT-UHFFFAOYSA-N 0 2 315.310 3.162 20 5 DGBDLN O=C(NCCCC1CCCCC1)c1ccc([N+](=O)[O-])cc1O ZINC001540944948 1188266691 /nfs/dbraw/zinc/26/66/91/1188266691.db2.gz HHIJZHZFPNGISD-UHFFFAOYSA-N 0 2 306.362 3.391 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc2ccccc2cc1O ZINC001567229580 1190082255 /nfs/dbraw/zinc/08/22/55/1190082255.db2.gz KNCKZCLTJODCCF-UHFFFAOYSA-N 0 2 324.292 3.412 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(F)cc2ccoc21 ZINC001567232194 1190083416 /nfs/dbraw/zinc/08/34/16/1190083416.db2.gz NTJCBEKGWDJHNJ-UHFFFAOYSA-N 0 2 316.244 3.438 20 5 DGBDLN C[C@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCc2ccccc21 ZINC001624546536 1194003109 /nfs/dbraw/zinc/00/31/09/1194003109.db2.gz HDEWHZFIYRHRQB-KRWDZBQOSA-N 0 2 312.325 3.143 20 5 DGBDLN CC(C)=C[C@@H]1[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1(C)C ZINC001632236230 1194378751 /nfs/dbraw/zinc/37/87/51/1194378751.db2.gz FNNNPJBMVSHSPS-BXUZGUMPSA-N 0 2 304.346 3.477 20 5 DGBDLN Cc1cc(F)ccc1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001634131748 1194475762 /nfs/dbraw/zinc/47/57/62/1194475762.db2.gz OYXMIQYPGSROTM-JTQLQIEISA-N 0 2 318.304 3.239 20 5 DGBDLN CC(C)(NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1F ZINC001637767946 1194685795 /nfs/dbraw/zinc/68/57/95/1194685795.db2.gz QHZICPACECWNAY-UHFFFAOYSA-N 0 2 318.304 3.105 20 5 DGBDLN Cc1cc(F)cc(-c2noc(-c3cc(O)ccc3[N+](=O)[O-])n2)c1 ZINC001216678426 1094247589 /nfs/dbraw/zinc/24/75/89/1094247589.db2.gz CVGUQKLIARGLSG-UHFFFAOYSA-N 0 2 315.260 3.465 20 5 DGBDLN O=[N+]([O-])c1ccc(O)cc1-c1nc(-c2ncccc2C2CC2)no1 ZINC001216682142 1094249500 /nfs/dbraw/zinc/24/95/00/1094249500.db2.gz GUGTZEIEEQGCJD-UHFFFAOYSA-N 0 2 324.296 3.290 20 5 DGBDLN CCC[C@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001143918357 1095439663 /nfs/dbraw/zinc/43/96/63/1095439663.db2.gz SOPIXVPJQLQAPP-FZMZJTMJSA-N 0 2 306.362 3.389 20 5 DGBDLN O=[N+]([O-])c1c(O)cccc1O[C@H]1CCc2c1nccc2Cl ZINC001225622206 1096486157 /nfs/dbraw/zinc/48/61/57/1096486157.db2.gz GKBKFRBKNSNEHC-NSHDSACASA-N 0 2 306.705 3.415 20 5 DGBDLN O=[N+]([O-])c1cccc(-c2[nH]c3ccc(N4CCCC4)cc3[nH+]2)c1[O-] ZINC001251271349 1105646233 /nfs/dbraw/zinc/64/62/33/1105646233.db2.gz BOEOOFZFLOFELM-UHFFFAOYSA-N 0 2 324.340 3.444 20 5 DGBDLN Cc1cccc(-c2nnc(Cc3ccc(O)c([N+](=O)[O-])c3)o2)c1 ZINC001253656087 1105968036 /nfs/dbraw/zinc/96/80/36/1105968036.db2.gz ZGYAGVCWNUWYFS-UHFFFAOYSA-N 0 2 311.297 3.250 20 5 DGBDLN CC[C@@H](C)C[C@H](C)NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000088299698 185245082 /nfs/dbraw/zinc/24/50/82/185245082.db2.gz AMXLDROFJJCWBX-BDAKNGLRSA-N 0 2 300.305 3.428 20 5 DGBDLN Cc1[nH]c2ccccc2c1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092547263 185325094 /nfs/dbraw/zinc/32/50/94/185325094.db2.gz NMVKZMKMSHMXGG-UHFFFAOYSA-N 0 2 311.297 3.342 20 5 DGBDLN O=C(Nc1nc(C2CCC2)cs1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000278136015 213981191 /nfs/dbraw/zinc/98/11/91/213981191.db2.gz MZQMYXLVZWGTOE-UHFFFAOYSA-N 0 2 319.342 3.277 20 5 DGBDLN O=C(Nc1cccc2ncccc21)c1ccc([N+](=O)[O-])c(O)c1 ZINC000176611734 304007862 /nfs/dbraw/zinc/00/78/62/304007862.db2.gz GLNAVLMBKISPTJ-UHFFFAOYSA-N 0 2 309.281 3.101 20 5 DGBDLN O=C(Nc1nccc2sccc21)c1ccc([N+](=O)[O-])cc1O ZINC000186830908 304017346 /nfs/dbraw/zinc/01/73/46/304017346.db2.gz WFCFSISRPAAVDJ-UHFFFAOYSA-N 0 2 315.310 3.162 20 5 DGBDLN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1ccccc1 ZINC000131220969 432033628 /nfs/dbraw/zinc/03/36/28/432033628.db2.gz QGCCNSPLLHRLRX-UHFFFAOYSA-N 0 2 312.734 3.049 20 5 DGBDLN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)c2ccccc21 ZINC000131728915 432036374 /nfs/dbraw/zinc/03/63/74/432036374.db2.gz HMHVXBOGDLQJEF-NSHDSACASA-N 0 2 312.325 3.454 20 5 DGBDLN Cc1cccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)c1F ZINC000180468048 432086938 /nfs/dbraw/zinc/08/69/38/432086938.db2.gz NMXGTQRZIWYEKN-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN CCC[C@@]1(C)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000179527956 283722300 /nfs/dbraw/zinc/72/23/00/283722300.db2.gz PHOPGKQILNTKIM-INIZCTEOSA-N 0 2 306.362 3.343 20 5 DGBDLN O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3F)no2)cc1O ZINC000445215241 239395681 /nfs/dbraw/zinc/39/56/81/239395681.db2.gz RZMFMRGTJSUWLS-UHFFFAOYSA-N 0 2 301.233 3.157 20 5 DGBDLN CC(C)C[C@]1(C)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000452517098 241439688 /nfs/dbraw/zinc/43/96/88/241439688.db2.gz XVJMIYZJYQZGPR-INIZCTEOSA-N 0 2 306.362 3.341 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N(Cc1ccccc1)C1CC1 ZINC000031070152 182606025 /nfs/dbraw/zinc/60/60/25/182606025.db2.gz RPWRTHLYEKVTJK-UHFFFAOYSA-N 0 2 312.325 3.105 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H]1c1cccs1 ZINC000119717393 195024316 /nfs/dbraw/zinc/02/43/16/195024316.db2.gz YJQQAUFBRBBKNA-LBPRGKRZSA-N 0 2 318.354 3.339 20 5 DGBDLN CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000344071447 254220858 /nfs/dbraw/zinc/22/08/58/254220858.db2.gz WRTUSRCSHXEFES-IAQYHMDHSA-N 0 2 322.361 3.224 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1nc2ccccc2s1 ZINC000120877499 195255065 /nfs/dbraw/zinc/25/50/65/195255065.db2.gz YYRBHOMIGAYVCF-UHFFFAOYSA-N 0 2 315.310 3.162 20 5 DGBDLN CC1(C)CCC[C@@H]1N1N=C(c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000601946867 400383572 /nfs/dbraw/zinc/38/35/72/400383572.db2.gz RAQMPYOISUEZTK-AWEZNQCLSA-N 0 2 301.346 3.110 20 5 DGBDLN CC1(C)CCC[C@@H]1n1[nH]c(-c2ccc([N+](=O)[O-])cc2)cc1=O ZINC000601946867 400383574 /nfs/dbraw/zinc/38/35/74/400383574.db2.gz RAQMPYOISUEZTK-AWEZNQCLSA-N 0 2 301.346 3.110 20 5 DGBDLN CC[C@H](C)[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000357910288 285915858 /nfs/dbraw/zinc/91/58/58/285915858.db2.gz MVFMKIZQSIZDCX-AAEUAGOBSA-N 0 2 306.362 3.341 20 5 DGBDLN Cc1sc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)nc1C(C)C ZINC000597894329 400689034 /nfs/dbraw/zinc/68/90/34/400689034.db2.gz MOISGRXMPWSXMN-UHFFFAOYSA-N 0 2 321.358 3.441 20 5 DGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CC[C@H](C2CCCCC2)C1 ZINC000598151887 400752254 /nfs/dbraw/zinc/75/22/54/400752254.db2.gz AXISCXPVQZPHGE-ZDUSSCGKSA-N 0 2 318.373 3.343 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCC[C@H]1CC1CCC1 ZINC000598462883 400817177 /nfs/dbraw/zinc/81/71/77/400817177.db2.gz SRPADHTWRFJCCH-ZDUSSCGKSA-N 0 2 318.373 3.485 20 5 DGBDLN Cc1ccc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc1 ZINC000060436726 401117696 /nfs/dbraw/zinc/11/76/96/401117696.db2.gz HRIQUOCYTHNQRG-UHFFFAOYSA-N 0 2 320.370 3.321 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc2cccc(F)c2o1 ZINC000089531700 401225570 /nfs/dbraw/zinc/22/55/70/401225570.db2.gz JRJIVPNALJEZRQ-UHFFFAOYSA-N 0 2 316.244 3.438 20 5 DGBDLN CCCc1nsc(NCc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000360047477 286414273 /nfs/dbraw/zinc/41/42/73/286414273.db2.gz LUOQOUKTFJUBDU-UHFFFAOYSA-N 0 2 312.782 3.086 20 5 DGBDLN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)[C@H]1c1ccccc1 ZINC000179524965 296915578 /nfs/dbraw/zinc/91/55/78/296915578.db2.gz MLNPWVZQYPEQDN-BDJLRTHQSA-N 0 2 312.325 3.134 20 5 DGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCCC2(CCCC2)C1 ZINC000438687475 304503851 /nfs/dbraw/zinc/50/38/51/304503851.db2.gz MTQRYNQLYBBVEB-UHFFFAOYSA-N 0 2 304.346 3.097 20 5 DGBDLN CCO[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)C1=CCCC1 ZINC000356322914 266353788 /nfs/dbraw/zinc/35/37/88/266353788.db2.gz PVEKKMBVFGAAEI-OAHLLOKOSA-N 0 2 320.345 3.144 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000120770806 431735186 /nfs/dbraw/zinc/73/51/86/431735186.db2.gz WVHMAWVHEPLSCT-SMDDNHRTSA-N 0 2 304.346 3.095 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H]1c1cccs1 ZINC000119717552 431717387 /nfs/dbraw/zinc/71/73/87/431717387.db2.gz YJQQAUFBRBBKNA-GFCCVEGCSA-N 0 2 318.354 3.339 20 5 DGBDLN CC[C@@H](C)c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)on1 ZINC000089530886 431869426 /nfs/dbraw/zinc/86/94/26/431869426.db2.gz XRRFVKHJMLSTKX-MRVPVSSYSA-N 0 2 305.290 3.054 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000089531254 431869897 /nfs/dbraw/zinc/86/98/97/431869897.db2.gz DPDNPKNDCAICFL-OLZOCXBDSA-N 0 2 316.288 3.182 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(Cl)c(F)c1 ZINC000092545996 431909832 /nfs/dbraw/zinc/90/98/32/431909832.db2.gz XWQCEEBJPMAALF-UHFFFAOYSA-N 0 2 310.668 3.345 20 5 DGBDLN Cc1ccccc1NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000060436697 431999106 /nfs/dbraw/zinc/99/91/06/431999106.db2.gz QDQPPFZKXQMKJI-UHFFFAOYSA-N 0 2 320.370 3.321 20 5 DGBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cccc(F)c1F ZINC000153847117 432448255 /nfs/dbraw/zinc/44/82/55/432448255.db2.gz HGYMXCLFGWFNST-MRVPVSSYSA-N 0 2 322.267 3.070 20 5 DGBDLN CCCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184623297 432412472 /nfs/dbraw/zinc/41/24/72/432412472.db2.gz GUTUWSGJLSHQNB-UHFFFAOYSA-N 0 2 314.341 3.353 20 5 DGBDLN C[C@H]1c2ccccc2CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000177194027 432596190 /nfs/dbraw/zinc/59/61/90/432596190.db2.gz WMXNCAWTUWMGNJ-NSHDSACASA-N 0 2 312.325 3.060 20 5 DGBDLN CCC[C@@H](C)c1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)n[nH]1 ZINC000156682239 432604859 /nfs/dbraw/zinc/60/48/59/432604859.db2.gz QPXAXHIRMFUZPG-SECBINFHSA-N 0 2 318.333 3.179 20 5 DGBDLN CC(C)CC[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000155652068 292712797 /nfs/dbraw/zinc/71/27/97/292712797.db2.gz LBCVGMGHKGQGPI-CYBMUJFWSA-N 0 2 306.362 3.341 20 5 DGBDLN CCN(CCc1cccs1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000298362083 433106936 /nfs/dbraw/zinc/10/69/36/433106936.db2.gz VOIKRXXZTWPRHY-UHFFFAOYSA-N 0 2 320.370 3.067 20 5 DGBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(F)cc2)c1C ZINC000160866001 292823056 /nfs/dbraw/zinc/82/30/56/292823056.db2.gz FFJGVZLCCGHEGV-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN CC(C)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)nc1 ZINC000436695601 434070373 /nfs/dbraw/zinc/07/03/73/434070373.db2.gz DSLSRQLAQTYBDJ-UHFFFAOYSA-N 0 2 301.302 3.071 20 5 DGBDLN C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1ccccc1[N+](=O)[O-] ZINC000285746837 434055491 /nfs/dbraw/zinc/05/54/91/434055491.db2.gz RJPQCWWEZSMPLA-UHFFFAOYSA-N 0 2 317.389 3.142 20 5 DGBDLN CCCc1nc(C)c(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)s1 ZINC000436677667 434059506 /nfs/dbraw/zinc/05/95/06/434059506.db2.gz DEXKDKYRBPXCOG-UHFFFAOYSA-N 0 2 321.358 3.270 20 5 DGBDLN C[C@H](CCCC(F)(F)F)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436812648 434115227 /nfs/dbraw/zinc/11/52/27/434115227.db2.gz BMEMPONRDNYZFO-MRVPVSSYSA-N 0 2 320.267 3.151 20 5 DGBDLN O=C(N[C@@H]1CCCc2sccc21)c1cc([N+](=O)[O-])ccc1O ZINC000436808743 434118301 /nfs/dbraw/zinc/11/83/01/434118301.db2.gz QNZNTWRFOORRAH-GFCCVEGCSA-N 0 2 318.354 3.169 20 5 DGBDLN CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000508529442 294324972 /nfs/dbraw/zinc/32/49/72/294324972.db2.gz AWZYWUPVADPCKM-DGCLKSJQSA-N 0 2 306.362 3.245 20 5 DGBDLN CC(C)CC(CC(C)C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000508542140 294325705 /nfs/dbraw/zinc/32/57/05/294325705.db2.gz ONMGLZLMLRFWFS-UHFFFAOYSA-N 0 2 308.378 3.491 20 5 DGBDLN Cc1cc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)c(C)o1 ZINC000436870128 434147295 /nfs/dbraw/zinc/14/72/95/434147295.db2.gz OVGBMKAMJBMNGO-SECBINFHSA-N 0 2 304.302 3.001 20 5 DGBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1cccc(F)c1F ZINC000436901144 434162357 /nfs/dbraw/zinc/16/23/57/434162357.db2.gz QLPIDBZLJSGGIV-MRVPVSSYSA-N 0 2 322.267 3.070 20 5 DGBDLN C[C@H](CN(C)C(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000436969136 434188707 /nfs/dbraw/zinc/18/87/07/434188707.db2.gz XLCNAHAVKLCAPN-GFCCVEGCSA-N 0 2 314.341 3.176 20 5 DGBDLN C[C@H]1CCCC[C@H]1CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000512488401 435361160 /nfs/dbraw/zinc/36/11/60/435361160.db2.gz HVXUTNOWSKMCKW-RYUDHWBXSA-N 0 2 306.362 3.247 20 5 DGBDLN Cc1cc(C)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(C)c1 ZINC000092546151 301172328 /nfs/dbraw/zinc/17/23/28/301172328.db2.gz BXVNSWWJWWZMSR-UHFFFAOYSA-N 0 2 300.314 3.478 20 5 DGBDLN O=C(N[C@@H]1CCCc2sccc21)c1ccc([N+](=O)[O-])c(O)c1 ZINC000137356837 303865817 /nfs/dbraw/zinc/86/58/17/303865817.db2.gz IRARCQVGWUNNBS-LLVKDONJSA-N 0 2 318.354 3.169 20 5 DGBDLN CC(C)(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C(F)(F)F ZINC000548124653 314423822 /nfs/dbraw/zinc/42/38/22/314423822.db2.gz MYGDIHFDXOBNSV-NSHDSACASA-N 0 2 320.267 3.007 20 5 DGBDLN Cc1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c1F ZINC000181063073 323245325 /nfs/dbraw/zinc/24/53/25/323245325.db2.gz GDFSXTWEQICFHN-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN O=C(Nc1ccc(Cl)cc1F)c1ccc(O)c([N+](=O)[O-])c1 ZINC000183299793 534829292 /nfs/dbraw/zinc/82/92/92/534829292.db2.gz ZDVJLZXHMZMGGT-UHFFFAOYSA-N 0 2 310.668 3.345 20 5 DGBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(-c2cccnc2Oc2ccccc2)no1 ZINC000904453829 619923531 /nfs/dbraw/zinc/92/35/31/619923531.db2.gz OHJFYPVYTFMPRD-CHWSQXEVSA-N 0 2 324.296 3.057 20 5 DGBDLN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)Cc2ccccc21 ZINC000771913339 622814826 /nfs/dbraw/zinc/81/48/26/622814826.db2.gz UPWLQJYPIYXZBS-NSHDSACASA-N 0 2 312.325 3.060 20 5 DGBDLN Cc1cc2c(c(C)c1)/C(=C/c1cc(O)ccc1[N+](=O)[O-])C(=O)N2 ZINC000799896191 626334465 /nfs/dbraw/zinc/33/44/65/626334465.db2.gz HCFLNPQKRMTONF-JYRVWZFOSA-N 0 2 310.309 3.410 20 5 DGBDLN Cc1cccc([C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC001586649297 1192341510 /nfs/dbraw/zinc/34/15/10/1192341510.db2.gz KJGZGNWYPIAXNR-LBPRGKRZSA-N 0 2 314.341 3.142 20 5 DGBDLN CCS[C@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001445433156 1182146243 /nfs/dbraw/zinc/14/62/43/1182146243.db2.gz VWJSQHLNUOVYNR-OCCSQVGLSA-N 0 2 324.402 3.095 20 5 DGBDLN O=C(Cc1cncc2ccccc21)Nc1cc([N+](=O)[O-])ccc1O ZINC001447259911 1182185572 /nfs/dbraw/zinc/18/55/72/1182185572.db2.gz FHYYGGXBIRGTLA-UHFFFAOYSA-N 0 2 323.308 3.030 20 5 DGBDLN CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1O)C1CCCC1 ZINC001466122385 1183188130 /nfs/dbraw/zinc/18/81/30/1183188130.db2.gz QZNSZPIYPWZFIB-UHFFFAOYSA-N 0 2 306.362 3.247 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1[C@H]2CCCCCC[C@H]12 ZINC001466629218 1183215807 /nfs/dbraw/zinc/21/58/07/1183215807.db2.gz VSNSJAAGDTYZJP-RYUDHWBXSA-N 0 2 304.346 3.455 20 5 DGBDLN O=C([O-])c1ccc2c(c1)C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC001610843392 1193412572 /nfs/dbraw/zinc/41/25/72/1193412572.db2.gz ICPOUGJTABLMKZ-HWKANZROSA-N 0 2 324.336 3.322 20 5 DGBDLN O=C([O-])c1ccc2c(c1)C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC001610843392 1193412573 /nfs/dbraw/zinc/41/25/73/1193412573.db2.gz ICPOUGJTABLMKZ-HWKANZROSA-N 0 2 324.336 3.322 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cccc(Cl)c1O ZINC001524172424 1187219621 /nfs/dbraw/zinc/21/96/21/1187219621.db2.gz RKOWDASJSYFIEM-UHFFFAOYSA-N 0 2 310.668 3.345 20 5 DGBDLN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(F)c1O ZINC001556934461 1189029847 /nfs/dbraw/zinc/02/98/47/1189029847.db2.gz LKOMJOYTYYUSFY-BAQGIRSFSA-N 0 2 320.251 3.231 20 5 DGBDLN CCCC[C@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001565558379 1189655507 /nfs/dbraw/zinc/65/55/07/1189655507.db2.gz XZJYGJVLIQLFSA-SMDDNHRTSA-N 0 2 306.362 3.389 20 5 DGBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CC2CCC1CC2 ZINC001631863392 1194359458 /nfs/dbraw/zinc/35/94/58/1194359458.db2.gz XEJSKZSDRUSWBL-TVRADYJESA-N 0 2 318.373 3.245 20 5 DGBDLN CC1(C)CCC[C@@H]1CCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001633663482 1194449399 /nfs/dbraw/zinc/44/93/99/1194449399.db2.gz DSLGYLYFXHNRQI-LLVKDONJSA-N 0 2 306.362 3.247 20 5 DGBDLN C[C@H](CC1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001635323446 1194544470 /nfs/dbraw/zinc/54/44/70/1194544470.db2.gz SNJQMYNUHBJJHF-LLVKDONJSA-N 0 2 306.362 3.389 20 5 DGBDLN CCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC001636376975 1194609396 /nfs/dbraw/zinc/60/93/96/1194609396.db2.gz MCEMIMOWERXONV-UHFFFAOYSA-N 0 2 316.313 3.342 20 5 DGBDLN Cc1cc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)ccc1F ZINC001641742076 1194869348 /nfs/dbraw/zinc/86/93/48/1194869348.db2.gz SNUNPVPIEKSILA-SNVBAGLBSA-N 0 2 318.304 3.239 20 5 DGBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)c1cccc2cc[nH]c21 ZINC001643297909 1195012281 /nfs/dbraw/zinc/01/22/81/1195012281.db2.gz PVUMMTVLOKUVGP-UHFFFAOYSA-N 0 2 311.297 3.058 20 5 DGBDLN Cc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2O)nc1C(C)C ZINC001645252206 1195170169 /nfs/dbraw/zinc/17/01/69/1195170169.db2.gz DWYGPYYCGXHNTM-UHFFFAOYSA-N 0 2 321.358 3.441 20 5 DGBDLN CCCCC[C@@H](C)Oc1nc(SC)[nH]c(=O)c1[N+](=O)[O-] ZINC001227624529 1086639236 /nfs/dbraw/zinc/63/92/36/1086639236.db2.gz AMWLFOFLKPVDHC-MRVPVSSYSA-N 0 2 301.368 3.160 20 5 DGBDLN Cc1ccccc1[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001153455839 1088252066 /nfs/dbraw/zinc/25/20/66/1088252066.db2.gz PANSXBSLARHXKD-NSHDSACASA-N 0 2 300.314 3.351 20 5 DGBDLN Cc1ccccc1C[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001153454559 1088252681 /nfs/dbraw/zinc/25/26/81/1088252681.db2.gz AABHMXAUSIKHPI-LBPRGKRZSA-N 0 2 314.341 3.426 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1CCC(C2CC2)CC1 ZINC001295972768 1091672611 /nfs/dbraw/zinc/67/26/11/1091672611.db2.gz RCGRMWBBMYSZKM-UHFFFAOYSA-N 0 2 304.346 3.455 20 5 DGBDLN Cc1cccc(C(=O)Nc2cc(F)cc(F)c2O)c1[N+](=O)[O-] ZINC001142541617 1092496617 /nfs/dbraw/zinc/49/66/17/1092496617.db2.gz DTMZJLUNTSBYCJ-UHFFFAOYSA-N 0 2 308.240 3.139 20 5 DGBDLN O=C1CCCc2nc(Nc3ccc(F)cc3[N+](=O)[O-])sc21 ZINC001210949766 1093332982 /nfs/dbraw/zinc/33/29/82/1093332982.db2.gz OJAOMEKEAGQSJG-UHFFFAOYSA-N 0 2 307.306 3.453 20 5 DGBDLN O=[N+]([O-])c1c(O)cccc1O[C@H](c1cccnc1)C(F)(F)F ZINC001225619493 1096484951 /nfs/dbraw/zinc/48/49/51/1096484951.db2.gz BJBALUGCGKWKKR-GFCCVEGCSA-N 0 2 314.219 3.378 20 5 DGBDLN CC(C)Oc1cncc(COc2cccc(O)c2[N+](=O)[O-])c1 ZINC001225626442 1096487724 /nfs/dbraw/zinc/48/77/24/1096487724.db2.gz QHLYNZTXHWCLSD-UHFFFAOYSA-N 0 2 304.302 3.062 20 5 DGBDLN CCC[C@H](Oc1nc(SC)[nH]c(=O)c1[N+](=O)[O-])C(C)C ZINC001227625011 1096963023 /nfs/dbraw/zinc/96/30/23/1096963023.db2.gz MAJRLGLEFKEOQE-QMMMGPOBSA-N 0 2 301.368 3.016 20 5 DGBDLN CCCC[C@@H](CC)Oc1nc(SC)[nH]c(=O)c1[N+](=O)[O-] ZINC001227625491 1096963088 /nfs/dbraw/zinc/96/30/88/1096963088.db2.gz YGYXSCHNSBFEEV-MRVPVSSYSA-N 0 2 301.368 3.160 20 5 DGBDLN Cn1c(-c2cc(O)ccc2[N+](=O)[O-])nc2ccc(F)c(F)c21 ZINC001250853888 1105594610 /nfs/dbraw/zinc/59/46/10/1105594610.db2.gz IPSUZIQNCFHMLK-UHFFFAOYSA-N 0 2 305.240 3.132 20 5 DGBDLN COc1cccc(-c2nnc(-c3c(O)cccc3[N+](=O)[O-])o2)c1 ZINC001253350378 1105926059 /nfs/dbraw/zinc/92/60/59/1105926059.db2.gz ORUVKBDPPDZKDW-UHFFFAOYSA-N 0 2 313.269 3.026 20 5 DGBDLN Cc1ccc(-c2nnc(Cc3ccccc3)o2)c([N+](=O)[O-])c1O ZINC001253588491 1105961651 /nfs/dbraw/zinc/96/16/51/1105961651.db2.gz JONJZQGVHLRKPM-UHFFFAOYSA-N 0 2 311.297 3.250 20 5 DGBDLN O=C(Nc1nc(C2CCCCCC2)cs1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001287773504 1110136299 /nfs/dbraw/zinc/13/62/99/1110136299.db2.gz ZSUMRVRZSOEJHZ-ZYHUDNBSSA-N 0 2 309.391 3.185 20 5 DGBDLN Cc1cc([C@@H]2CCCCN2Cc2cc(O)ccc2[N+](=O)[O-])[nH]n1 ZINC001308110059 1111379127 /nfs/dbraw/zinc/37/91/27/1111379127.db2.gz UWURAGQCYKGBOZ-INIZCTEOSA-N 0 2 316.361 3.059 20 5 DGBDLN Cc1cc([C@@H]2CCCCN2Cc2cc(O)ccc2[N+](=O)[O-])n[nH]1 ZINC001308110059 1111379130 /nfs/dbraw/zinc/37/91/30/1111379130.db2.gz UWURAGQCYKGBOZ-INIZCTEOSA-N 0 2 316.361 3.059 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(F)ccc1Cl ZINC000314863026 231135030 /nfs/dbraw/zinc/13/50/30/231135030.db2.gz JPENCQPIZCIPKK-UHFFFAOYSA-N 0 2 310.668 3.345 20 5 DGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@@H]1C1CCCC1 ZINC000179445192 199036725 /nfs/dbraw/zinc/03/67/25/199036725.db2.gz YMFYTWRYGZAIDV-CQSZACIVSA-N 0 2 304.346 3.095 20 5 DGBDLN CCO[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000180777060 432100824 /nfs/dbraw/zinc/10/08/24/432100824.db2.gz CTSNSKVUEXVQMN-OAHLLOKOSA-N 0 2 316.313 3.017 20 5 DGBDLN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1cccc(F)c1 ZINC000092547447 284007326 /nfs/dbraw/zinc/00/73/26/284007326.db2.gz GLIHCXHTXUQECQ-VIFPVBQESA-N 0 2 304.277 3.182 20 5 DGBDLN CC[C@H](OC1CCCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092547042 284007371 /nfs/dbraw/zinc/00/73/71/284007371.db2.gz XBLZLRABARKJCZ-HNNXBMFYSA-N 0 2 322.361 3.367 20 5 DGBDLN C[C@H](c1ccccc1)N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000018125076 182093957 /nfs/dbraw/zinc/09/39/57/182093957.db2.gz FDAMJXLIHDNAEB-LLVKDONJSA-N 0 2 300.314 3.134 20 5 DGBDLN CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000021027690 182262208 /nfs/dbraw/zinc/26/22/08/182262208.db2.gz YXOOUGNTULRDJV-ZDUSSCGKSA-N 0 2 300.314 3.433 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc2c(s1)CCC2 ZINC000120877851 195255165 /nfs/dbraw/zinc/25/51/65/195255165.db2.gz NLUBGPDFHCCZQW-UHFFFAOYSA-N 0 2 304.327 3.103 20 5 DGBDLN CCOCc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000075547404 400593878 /nfs/dbraw/zinc/59/38/78/400593878.db2.gz PGQGCDDKKYGIIE-UHFFFAOYSA-N 0 2 316.313 3.089 20 5 DGBDLN CCc1ccccc1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000055563878 400878159 /nfs/dbraw/zinc/87/81/59/400878159.db2.gz JSJXXRORIVEACZ-UHFFFAOYSA-N 0 2 320.370 3.266 20 5 DGBDLN C[C@H](c1ccc(F)cc1)N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000193240593 165320201 /nfs/dbraw/zinc/32/02/01/165320201.db2.gz MWHOZLZSAYSYDW-SNVBAGLBSA-N 0 2 318.304 3.273 20 5 DGBDLN CCC[C@H](C)[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182128660 432160352 /nfs/dbraw/zinc/16/03/52/432160352.db2.gz FEKSFMTZDDRNED-SMDDNHRTSA-N 0 2 306.362 3.341 20 5 DGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCCC2(CCCCC2)C1 ZINC000182007967 432154880 /nfs/dbraw/zinc/15/48/80/432154880.db2.gz OSCFPGJYFUFERR-UHFFFAOYSA-N 0 2 318.373 3.487 20 5 DGBDLN Cc1ccc(C[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(O)c2)s1 ZINC000132150042 196230455 /nfs/dbraw/zinc/23/04/55/196230455.db2.gz BPDBRUYMLDFFKV-SECBINFHSA-N 0 2 320.370 3.031 20 5 DGBDLN CSc1cccc(N(C)C(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000185747626 228396742 /nfs/dbraw/zinc/39/67/42/228396742.db2.gz ZBCANKPIZLKQSJ-UHFFFAOYSA-N 0 2 318.354 3.299 20 5 DGBDLN C[C@@H](c1cccs1)N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000024237725 263499126 /nfs/dbraw/zinc/49/91/26/263499126.db2.gz VQEVBHPHUZQMIK-VIFPVBQESA-N 0 2 306.343 3.195 20 5 DGBDLN CC(C)C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000161149009 279023547 /nfs/dbraw/zinc/02/35/47/279023547.db2.gz GFERQRKBLAGUDY-LBPRGKRZSA-N 0 2 306.362 3.199 20 5 DGBDLN Cc1ccc([C@H](C)N(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000074421491 431419966 /nfs/dbraw/zinc/41/99/66/431419966.db2.gz OYWOSANKJRRVRY-LBPRGKRZSA-N 0 2 314.341 3.442 20 5 DGBDLN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000014256016 431587781 /nfs/dbraw/zinc/58/77/81/431587781.db2.gz VXAIUFWHRXHALW-UHFFFAOYSA-N 0 2 318.763 3.111 20 5 DGBDLN Cc1noc(-c2ccccc2)c1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000122631408 431840238 /nfs/dbraw/zinc/84/02/38/431840238.db2.gz RPFNCZOLLIKDBS-UHFFFAOYSA-N 0 2 313.269 3.404 20 5 DGBDLN CC(C)(C)c1ncc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)s1 ZINC000089530864 431869855 /nfs/dbraw/zinc/86/98/55/431869855.db2.gz ZIHPZRIGZIUFEH-UHFFFAOYSA-N 0 2 321.358 3.307 20 5 DGBDLN O=C(NCc1ccc(F)c(Cl)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000101682881 431987728 /nfs/dbraw/zinc/98/77/28/431987728.db2.gz RGYAXIJSFQULSE-UHFFFAOYSA-N 0 2 324.695 3.023 20 5 DGBDLN C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000173646200 432291303 /nfs/dbraw/zinc/29/13/03/432291303.db2.gz TYBUYTZVUNCRKY-WZRBSPASSA-N 0 2 304.346 3.094 20 5 DGBDLN CN(CCCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000060673213 432000670 /nfs/dbraw/zinc/00/06/70/432000670.db2.gz VTXDUQHGTGOQEN-UHFFFAOYSA-N 0 2 314.341 3.005 20 5 DGBDLN Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)c(F)c1 ZINC000152659151 432347541 /nfs/dbraw/zinc/34/75/41/432347541.db2.gz XPQNYMAAPHWSJW-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN CC[C@@H](C)[C@@H](C)N(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CC1 ZINC000183573346 432304724 /nfs/dbraw/zinc/30/47/24/432304724.db2.gz VOISTEIBXVAXLK-GHMZBOCLSA-N 0 2 306.362 3.340 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N(CC1CC1)C1CCCCC1 ZINC000184745133 432429689 /nfs/dbraw/zinc/42/96/89/432429689.db2.gz HWNMRRNQZFREGC-UHFFFAOYSA-N 0 2 318.373 3.485 20 5 DGBDLN CC(C)(C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000331082414 432929100 /nfs/dbraw/zinc/92/91/00/432929100.db2.gz OUKNFTFAPMAELR-GFCCVEGCSA-N 0 2 306.362 3.199 20 5 DGBDLN O=C(C[C@H]1C[C@H]1c1ccccc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000354524937 433127963 /nfs/dbraw/zinc/12/79/63/433127963.db2.gz ICMWSXKWXBARHT-OCCSQVGLSA-N 0 2 312.325 3.433 20 5 DGBDLN CC[C@@H](C)CON=c1[nH]cc(Br)cc1[N+](=O)[O-] ZINC000291845467 433371777 /nfs/dbraw/zinc/37/17/77/433371777.db2.gz MCRCVRGOXNZFLO-SSDOTTSWSA-N 0 2 304.144 3.142 20 5 DGBDLN CC[C@H](C)CON=c1[nH]cc(Br)cc1[N+](=O)[O-] ZINC000291845470 433372693 /nfs/dbraw/zinc/37/26/93/433372693.db2.gz MCRCVRGOXNZFLO-ZETCQYMHSA-N 0 2 304.144 3.142 20 5 DGBDLN CCC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccccn1 ZINC000339352264 433527819 /nfs/dbraw/zinc/52/78/19/433527819.db2.gz LIBMYZNYRKBDTQ-GFCCVEGCSA-N 0 2 315.329 3.218 20 5 DGBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2csc3ccccc23)[nH]1 ZINC000352014257 433859429 /nfs/dbraw/zinc/85/94/29/433859429.db2.gz OUJDVZOUVNXTRG-WAYWQWQTSA-N 0 2 315.310 3.181 20 5 DGBDLN CC(C)[C@@H]1N(C(=O)c2ccc([N+](=O)[O-])cc2O)CC12CCCC2 ZINC000457150398 434016887 /nfs/dbraw/zinc/01/68/87/434016887.db2.gz UBBVUSGYNVTHOJ-HNNXBMFYSA-N 0 2 318.373 3.341 20 5 DGBDLN C[C@@H](CN(C)C(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000436969137 434186724 /nfs/dbraw/zinc/18/67/24/434186724.db2.gz XLCNAHAVKLCAPN-LBPRGKRZSA-N 0 2 314.341 3.176 20 5 DGBDLN CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)CC(F)(F)F ZINC000402472590 434501733 /nfs/dbraw/zinc/50/17/33/434501733.db2.gz JEVQZZRTRDOPEN-MRVPVSSYSA-N 0 2 320.267 3.009 20 5 DGBDLN CC(C)[C@@H](CC(F)(F)F)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000438607081 434520179 /nfs/dbraw/zinc/52/01/79/434520179.db2.gz SXESVVYOBNQNMQ-SNVBAGLBSA-N 0 2 320.267 3.007 20 5 DGBDLN CCS[C@@H]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000158071946 521727655 /nfs/dbraw/zinc/72/76/55/521727655.db2.gz BQCDBLCURAXZPQ-CMPLNLGQSA-N 0 2 324.402 3.047 20 5 DGBDLN CC(C)Oc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184656969 528263193 /nfs/dbraw/zinc/26/31/93/528263193.db2.gz KCDYLRGZEXYVIR-UHFFFAOYSA-N 0 2 316.313 3.340 20 5 DGBDLN CCOc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c(C)c1 ZINC000160077870 528549743 /nfs/dbraw/zinc/54/97/43/528549743.db2.gz LRTJONLVVHCPLY-UHFFFAOYSA-N 0 2 316.313 3.260 20 5 DGBDLN CC[C@H](C)c1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)on1 ZINC000183910262 529273494 /nfs/dbraw/zinc/27/34/94/529273494.db2.gz CSFZDIAKYRLMNK-QMMMGPOBSA-N 0 2 305.290 3.054 20 5 DGBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(-c2ccc(Oc3ccccc3)nc2)no1 ZINC000904447063 619923442 /nfs/dbraw/zinc/92/34/42/619923442.db2.gz HUDNFUMCAJNORJ-CHWSQXEVSA-N 0 2 324.296 3.057 20 5 DGBDLN Cc1ccc(C(F)(F)C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000776194370 623394391 /nfs/dbraw/zinc/39/43/91/623394391.db2.gz IAWJDMNJTAWQMO-UHFFFAOYSA-N 0 2 322.267 3.339 20 5 DGBDLN CSc1cccc(F)c1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000798991936 626265498 /nfs/dbraw/zinc/26/54/98/626265498.db2.gz PZQZAVQJNRHNHV-UHFFFAOYSA-N 0 2 322.317 3.414 20 5 DGBDLN C[C@@]1(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CC1(Cl)Cl ZINC000828248467 629037841 /nfs/dbraw/zinc/03/78/41/629037841.db2.gz HLKPYEUNZWPINB-LLVKDONJSA-N 0 2 319.144 3.213 20 5 DGBDLN Cc1ccc([C@H](c2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)C(C)C)cc1 ZINC000842505056 630543026 /nfs/dbraw/zinc/54/30/26/630543026.db2.gz VGTYIFOVSWFTFQ-MGPQQGTHSA-N 0 2 301.346 3.299 20 5 DGBDLN CCc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC001447124767 1182184652 /nfs/dbraw/zinc/18/46/52/1182184652.db2.gz RBRCJHVDRYUYLE-NSHDSACASA-N 0 2 314.341 3.354 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc2ccncc2c1 ZINC001447271815 1182185643 /nfs/dbraw/zinc/18/56/43/1182185643.db2.gz XLHIHYAXEZHGNN-UHFFFAOYSA-N 0 2 309.281 3.101 20 5 DGBDLN Cc1cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)oc1C(=O)[O-] ZINC001607649016 1193245050 /nfs/dbraw/zinc/24/50/50/1193245050.db2.gz ZQBCIWDOENVERY-UHFFFAOYSA-N 0 2 324.720 3.138 20 5 DGBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCCc1ccccc1)c1ccccc1 ZINC001535137377 1187941243 /nfs/dbraw/zinc/94/12/43/1187941243.db2.gz JMBGUCIXXFUWEM-QZTJIDSGSA-N 0 2 324.380 3.318 20 5 DGBDLN O=C(/C=C/C=C(Cl)Cl)Nc1cc([N+](=O)[O-])ccc1O ZINC001567229718 1190082028 /nfs/dbraw/zinc/08/20/28/1190082028.db2.gz MDOAWJQMXYYVPY-HNQUOIGGSA-N 0 2 303.101 3.114 20 5 DGBDLN Cc1ccc([C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC001633958368 1194466632 /nfs/dbraw/zinc/46/66/32/1194466632.db2.gz AQXXSLFMNFIUNM-LBPRGKRZSA-N 0 2 314.341 3.142 20 5 DGBDLN C[C@@H](Cc1cccs1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC001635204726 1194537884 /nfs/dbraw/zinc/53/78/84/1194537884.db2.gz CBBDHIGEPWEMPK-JTQLQIEISA-N 0 2 320.370 3.065 20 5 DGBDLN O=C(Nc1nccc2ccccc21)c1ccc([N+](=O)[O-])cc1O ZINC001635424544 1194551499 /nfs/dbraw/zinc/55/14/99/1194551499.db2.gz OOJSRPICJYXGBT-UHFFFAOYSA-N 0 2 309.281 3.101 20 5 DGBDLN CC1(C)CCC(C)(NC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC001643646470 1195042572 /nfs/dbraw/zinc/04/25/72/1195042572.db2.gz RDEMFJYUNQQRAV-UHFFFAOYSA-N 0 2 306.362 3.389 20 5 DGBDLN O=C1Nc2cc(Cl)ccc2/C1=C/c1cc(O)ccc1[N+](=O)[O-] ZINC000176379072 1087716716 /nfs/dbraw/zinc/71/67/16/1087716716.db2.gz APINPGQFSUZJFU-SDQBBNPISA-N 0 2 316.700 3.447 20 5 DGBDLN C[C@@H]1CCC[C@H](C2CN(C(=O)c3ccc([N+](=O)[O-])cc3O)C2)C1 ZINC001152403173 1087967165 /nfs/dbraw/zinc/96/71/65/1087967165.db2.gz TVEQOVMWLUKJJS-NEPJUHHUSA-N 0 2 318.373 3.199 20 5 DGBDLN O=[N+]([O-])c1cccc(O)c1-c1nc(-c2ccc(F)cc2F)no1 ZINC001216845202 1094269573 /nfs/dbraw/zinc/26/95/73/1094269573.db2.gz BRLIUZJPUUFKFX-UHFFFAOYSA-N 0 2 319.223 3.296 20 5 DGBDLN O=C(Nc1cccc(-n2cccc2)c1)c1ccc([N+](=O)[O-])cc1O ZINC001136161932 1094916512 /nfs/dbraw/zinc/91/65/12/1094916512.db2.gz AIJBFJACJJAJDO-UHFFFAOYSA-N 0 2 323.308 3.343 20 5 DGBDLN COc1ccccc1OC[C@@H](C)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225619994 1096485423 /nfs/dbraw/zinc/48/54/23/1096485423.db2.gz MEHSMVAQNVCYRZ-LLVKDONJSA-N 0 2 319.313 3.155 20 5 DGBDLN CC(C)Oc1cc(COc2cccc(O)c2[N+](=O)[O-])cnc1F ZINC001225625376 1096487367 /nfs/dbraw/zinc/48/73/67/1096487367.db2.gz JWZOOMXFPPTPDQ-UHFFFAOYSA-N 0 2 322.292 3.201 20 5 DGBDLN CSc1nc(O[C@H](C)CCC(C)C)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227624968 1096963037 /nfs/dbraw/zinc/96/30/37/1096963037.db2.gz LMPJZRZWDHXIIL-MRVPVSSYSA-N 0 2 301.368 3.016 20 5 DGBDLN COc1ccccc1[C@@H](C)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228971602 1097229255 /nfs/dbraw/zinc/22/92/55/1097229255.db2.gz QSDZOQHDCHXJBR-SECBINFHSA-N 0 2 305.286 3.155 20 5 DGBDLN CC1(C)CC(Oc2cc(O)cc(O)c2[N+](=O)[O-])CC(C)(C)O1 ZINC001228974097 1097229943 /nfs/dbraw/zinc/22/99/43/1097229943.db2.gz PJYVWGRYABWYBP-UHFFFAOYSA-N 0 2 311.334 3.121 20 5 DGBDLN Cc1ccc(OC[C@H](C)Oc2cc(O)cc(O)c2[N+](=O)[O-])cc1 ZINC001228973506 1097229996 /nfs/dbraw/zinc/22/99/96/1097229996.db2.gz JTDGESGAZXZOFN-NSHDSACASA-N 0 2 319.313 3.161 20 5 DGBDLN CCn1c2cc(OC)ccc2nc1-c1cc(O)ccc1[N+](=O)[O-] ZINC001250854640 1105594071 /nfs/dbraw/zinc/59/40/71/1105594071.db2.gz VGNFMIMCIJIMPI-UHFFFAOYSA-N 0 2 313.313 3.346 20 5 DGBDLN O=[N+]([O-])c1ccc(O)cc1-c1nc2c(cc(F)c(F)c2F)[nH]1 ZINC001250854648 1105594652 /nfs/dbraw/zinc/59/46/52/1105594652.db2.gz VOBZTGOGGDVIIE-UHFFFAOYSA-N 0 2 309.203 3.261 20 5 DGBDLN O=[N+]([O-])c1cccc(O)c1-c1nnc(Cc2ccc(F)cc2)o1 ZINC001251930047 1105711341 /nfs/dbraw/zinc/71/13/41/1105711341.db2.gz IRZUHARSDNPNGW-UHFFFAOYSA-N 0 2 315.260 3.080 20 5 DGBDLN Cc1ccc(-c2nnc(Cc3ccc(O)c([N+](=O)[O-])c3)o2)cc1 ZINC001252636800 1105809039 /nfs/dbraw/zinc/80/90/39/1105809039.db2.gz XKBCSVXPJZEQLF-UHFFFAOYSA-N 0 2 311.297 3.250 20 5 DGBDLN O=[N+]([O-])c1cccc(O)c1-c1nnc(CC2CCCCC2)o1 ZINC001257076126 1106533837 /nfs/dbraw/zinc/53/38/37/1106533837.db2.gz HIWIRHXCLPSFNX-UHFFFAOYSA-N 0 2 303.318 3.473 20 5 DGBDLN COc1cc(-c2nnc(CC3CCCC3)o2)cc([N+](=O)[O-])c1O ZINC001258690855 1106910296 /nfs/dbraw/zinc/91/02/96/1106910296.db2.gz IZUPUNAJAPWETK-UHFFFAOYSA-N 0 2 319.317 3.092 20 5 DGBDLN CCN(Cc1ccccc1F)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC001320669082 1107098830 /nfs/dbraw/zinc/09/88/30/1107098830.db2.gz VGPBCPRJSLXEPL-UHFFFAOYSA-N 0 2 318.304 3.102 20 5 DGBDLN CC[C@@H](C)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)C(F)(F)F ZINC000444538114 529399959 /nfs/dbraw/zinc/39/99/59/529399959.db2.gz BWXJBPQFLDBDGY-RDDDGLTNSA-N 0 2 320.267 3.007 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCCc2ccccc21 ZINC000322941283 231213135 /nfs/dbraw/zinc/21/31/35/231213135.db2.gz HVHWFGFKGYHKGF-AWEZNQCLSA-N 0 2 312.325 3.359 20 5 DGBDLN Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546691 185325109 /nfs/dbraw/zinc/32/51/09/185325109.db2.gz LGRXCXGQAKNKSY-GHMZBOCLSA-N 0 2 318.354 3.413 20 5 DGBDLN C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179503960 432061165 /nfs/dbraw/zinc/06/11/65/432061165.db2.gz NPUVDSUQBSEVTA-GYSYKLTISA-N 0 2 304.346 3.094 20 5 DGBDLN CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CCCC[C@H]1C ZINC000184952174 199786545 /nfs/dbraw/zinc/78/65/45/199786545.db2.gz MXMZMXWTYBLFKY-RISCZKNCSA-N 0 2 306.362 3.341 20 5 DGBDLN Cn1nccc1[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000281140841 216105623 /nfs/dbraw/zinc/10/56/23/216105623.db2.gz DSPHOCRDINVYMI-INIZCTEOSA-N 0 2 318.352 3.195 20 5 DGBDLN Cc1cc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2O)ccc1F ZINC000444424257 239288259 /nfs/dbraw/zinc/28/82/59/239288259.db2.gz LNKUQZOAJXKXJI-UHFFFAOYSA-N 0 2 318.304 3.020 20 5 DGBDLN Cc1ccc(Cc2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)cc1 ZINC000445188110 239391221 /nfs/dbraw/zinc/39/12/21/239391221.db2.gz LIQJPMMPPATNFS-UHFFFAOYSA-N 0 2 311.297 3.250 20 5 DGBDLN Cc1ccc(F)cc1-c1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000445214525 239395875 /nfs/dbraw/zinc/39/58/75/239395875.db2.gz RDEJMWZUELEDKB-UHFFFAOYSA-N 0 2 315.260 3.465 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1(c2cccc(F)c2)CC1 ZINC000135341288 432114278 /nfs/dbraw/zinc/11/42/78/432114278.db2.gz NUOCVTRRMZSSHX-UHFFFAOYSA-N 0 2 316.288 3.110 20 5 DGBDLN O=C(NCCC1=CCCCCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000468676534 244058713 /nfs/dbraw/zinc/05/87/13/244058713.db2.gz LNUKAOLDEZFIJB-UHFFFAOYSA-N 0 2 304.346 3.311 20 5 DGBDLN CSCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000125146143 284270270 /nfs/dbraw/zinc/27/02/70/284270270.db2.gz YCILVWSUUZOPOB-UHFFFAOYSA-N 0 2 318.354 3.416 20 5 DGBDLN O=C(NCc1cccc([N+](=O)[O-])c1)c1cc(F)cc(Cl)c1O ZINC000126555537 284308958 /nfs/dbraw/zinc/30/89/58/284308958.db2.gz WCIGTIXMYOICCK-UHFFFAOYSA-N 0 2 324.695 3.023 20 5 DGBDLN Cc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)c(F)c1 ZINC000135677120 284486700 /nfs/dbraw/zinc/48/67/00/284486700.db2.gz IEKYJHPTLVEWER-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN O=C(CSc1ccccc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000059210239 184135946 /nfs/dbraw/zinc/13/59/46/184135946.db2.gz CGDIBOYRLKQPJZ-UHFFFAOYSA-N 0 2 304.327 3.031 20 5 DGBDLN O=C(Cc1cccc2cccnc21)Nc1cc([N+](=O)[O-])ccc1O ZINC000092549414 400181189 /nfs/dbraw/zinc/18/11/89/400181189.db2.gz LRGRODOZHQTVGV-UHFFFAOYSA-N 0 2 323.308 3.030 20 5 DGBDLN CCc1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)ccc1F ZINC000586874616 400170525 /nfs/dbraw/zinc/17/05/25/400170525.db2.gz XFZLHLLIZJRZJL-UHFFFAOYSA-N 0 2 304.277 3.254 20 5 DGBDLN Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000093930542 400264183 /nfs/dbraw/zinc/26/41/83/400264183.db2.gz KCGBGKYWMZRUJB-UHFFFAOYSA-N 0 2 312.372 3.074 20 5 DGBDLN CCCCC1=NN(c2ccc([N+](=O)[O-])cc2OC)C(=O)[C@H]1C ZINC000601936868 400380294 /nfs/dbraw/zinc/38/02/94/400380294.db2.gz WMIBAVLEROMETI-JTQLQIEISA-N 0 2 305.334 3.132 20 5 DGBDLN CC(C)(CC(F)(F)F)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000597442523 400630887 /nfs/dbraw/zinc/63/08/87/400630887.db2.gz LPQXSBDNTMTIHH-UHFFFAOYSA-N 0 2 306.240 3.218 20 5 DGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@@H](C2CCCCC2)C1 ZINC000598153293 400752902 /nfs/dbraw/zinc/75/29/02/400752902.db2.gz NHSLDCGQANRKDM-CYBMUJFWSA-N 0 2 318.373 3.343 20 5 DGBDLN CC1(C)CCC(C)(C)N(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000600226908 401227931 /nfs/dbraw/zinc/22/79/31/401227931.db2.gz VKLQSEGOIWNKDJ-UHFFFAOYSA-N 0 2 306.362 3.341 20 5 DGBDLN Cc1ccc(C[C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(O)c2)s1 ZINC000132150204 196230281 /nfs/dbraw/zinc/23/02/81/196230281.db2.gz BPDBRUYMLDFFKV-VIFPVBQESA-N 0 2 320.370 3.031 20 5 DGBDLN CC(C)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000324385293 263905053 /nfs/dbraw/zinc/90/50/53/263905053.db2.gz LGLPJDDGXDAODY-UHFFFAOYSA-N 0 2 314.341 3.354 20 5 DGBDLN CCCc1nc(C)c(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)s1 ZINC000362476360 271024443 /nfs/dbraw/zinc/02/44/43/271024443.db2.gz JBHJVOLKVKFQCU-UHFFFAOYSA-N 0 2 321.358 3.270 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H]1c1cccs1 ZINC000029797399 431729717 /nfs/dbraw/zinc/72/97/17/431729717.db2.gz ZAKUSAPTMBCRGE-LBPRGKRZSA-N 0 2 318.354 3.339 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000120770310 431734340 /nfs/dbraw/zinc/73/43/40/431734340.db2.gz WVHMAWVHEPLSCT-RISCZKNCSA-N 0 2 304.346 3.095 20 5 DGBDLN C[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000173646213 432290784 /nfs/dbraw/zinc/29/07/84/432290784.db2.gz TYBUYTZVUNCRKY-LOWVWBTDSA-N 0 2 304.346 3.094 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC2(CCCCC2)CC1 ZINC000102483496 431994741 /nfs/dbraw/zinc/99/47/41/431994741.db2.gz BFWSAYSCBZBUIY-UHFFFAOYSA-N 0 2 318.373 3.487 20 5 DGBDLN C[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000059354294 431999008 /nfs/dbraw/zinc/99/90/08/431999008.db2.gz GJYLCPXDIFHLCF-LLVKDONJSA-N 0 2 300.314 3.433 20 5 DGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC2(CCCC2)CC1 ZINC000271227926 432358872 /nfs/dbraw/zinc/35/88/72/432358872.db2.gz AGDJEYUJAQNFKB-UHFFFAOYSA-N 0 2 304.346 3.097 20 5 DGBDLN CC(C)CC[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184930054 432446375 /nfs/dbraw/zinc/44/63/75/432446375.db2.gz VOTDPGWDHNHRME-LBPRGKRZSA-N 0 2 306.362 3.341 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H]1c1ccccc1 ZINC000185173955 432473704 /nfs/dbraw/zinc/47/37/04/432473704.db2.gz LIXWMVRSNZPHPT-OAHLLOKOSA-N 0 2 312.325 3.278 20 5 DGBDLN CCCCN(CC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000272568092 432526953 /nfs/dbraw/zinc/52/69/53/432526953.db2.gz BMFFCAPPOCIJJO-UHFFFAOYSA-N 0 2 320.267 3.105 20 5 DGBDLN CCC(C)(C)[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182148829 282034375 /nfs/dbraw/zinc/03/43/75/282034375.db2.gz GTTXZZJOGASCSC-AWEZNQCLSA-N 0 2 306.362 3.341 20 5 DGBDLN Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1ccccc1F ZINC000188593909 432733621 /nfs/dbraw/zinc/73/36/21/432733621.db2.gz JSHZLOUQTPNKNI-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000361485234 433202237 /nfs/dbraw/zinc/20/22/37/433202237.db2.gz MSGZXSRLTNUCNL-CMPLNLGQSA-N 0 2 306.362 3.245 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCc2cc(Cl)ccc21 ZINC000341706445 433228083 /nfs/dbraw/zinc/22/80/83/433228083.db2.gz LVXYZDFNNZAGFT-UHFFFAOYSA-N 0 2 318.716 3.157 20 5 DGBDLN Cc1ccsc1S(=O)(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000342466162 433709292 /nfs/dbraw/zinc/70/92/92/433709292.db2.gz ZFSOBRUFUCTQPA-UHFFFAOYSA-N 0 2 312.372 3.074 20 5 DGBDLN CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)c1cccc(C)c1 ZINC000436518417 433988612 /nfs/dbraw/zinc/98/86/12/433988612.db2.gz RJXPIXSHOHEAQP-UHFFFAOYSA-N 0 2 300.314 3.276 20 5 DGBDLN CC(=O)c1ccc(O)c(NC(=O)c2cccc(C)c2[N+](=O)[O-])c1 ZINC000436864057 434141655 /nfs/dbraw/zinc/14/16/55/434141655.db2.gz XDAQHGYMODMPHQ-UHFFFAOYSA-N 0 2 314.297 3.064 20 5 DGBDLN CCCCN(CC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436870936 434145551 /nfs/dbraw/zinc/14/55/51/434145551.db2.gz RJYWQMYPPIKKQT-UHFFFAOYSA-N 0 2 320.267 3.105 20 5 DGBDLN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1cccs1 ZINC000436872749 434146604 /nfs/dbraw/zinc/14/66/04/434146604.db2.gz XCRIBMUVMJJKSP-NSHDSACASA-N 0 2 306.343 3.243 20 5 DGBDLN CC[C@H](C)[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436985448 434191307 /nfs/dbraw/zinc/19/13/07/434191307.db2.gz DBKCNZOTFKZOCP-FZMZJTMJSA-N 0 2 306.362 3.341 20 5 DGBDLN C/C=C\c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000516109323 294589427 /nfs/dbraw/zinc/58/94/27/294589427.db2.gz AYYCNJIGSZRARF-DJWKRKHSSA-N 0 2 318.354 3.429 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCCC1(F)F ZINC000327590273 434278449 /nfs/dbraw/zinc/27/84/49/434278449.db2.gz GUFCJOOFJYQSIE-VIFPVBQESA-N 0 2 300.261 3.064 20 5 DGBDLN Cc1cc(CNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)cc(C)[nH+]1 ZINC000575185169 316041456 /nfs/dbraw/zinc/04/14/56/316041456.db2.gz PIEQRWNXYOJKKL-UHFFFAOYSA-N 0 2 315.329 3.225 20 5 DGBDLN CC(C)c1cnc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)s1 ZINC000164781059 528225734 /nfs/dbraw/zinc/22/57/34/528225734.db2.gz JWRHABKPSSIESW-UHFFFAOYSA-N 0 2 307.331 3.133 20 5 DGBDLN CCOc1cc(C)ccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000185347866 528253483 /nfs/dbraw/zinc/25/34/83/528253483.db2.gz DTIAZEXAKNJGFN-UHFFFAOYSA-N 0 2 316.313 3.260 20 5 DGBDLN CCN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000183360352 529085085 /nfs/dbraw/zinc/08/50/85/529085085.db2.gz OUWVOERDNHDLHO-UHFFFAOYSA-N 0 2 304.277 3.106 20 5 DGBDLN C/C(=C\c1ccc(F)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000760198205 621920608 /nfs/dbraw/zinc/92/06/08/621920608.db2.gz WGGOKHDINMBZQM-CSKARUKUSA-N 0 2 316.288 3.482 20 5 DGBDLN COc1ccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1Cl ZINC000816054298 627732166 /nfs/dbraw/zinc/73/21/66/627732166.db2.gz AVHPNSDGAPQXCF-UHFFFAOYSA-N 0 2 322.704 3.215 20 5 DGBDLN Cc1c(NC(=O)c2cc(F)cc(F)c2O)cccc1[N+](=O)[O-] ZINC001538509075 1188145471 /nfs/dbraw/zinc/14/54/71/1188145471.db2.gz DNWRJXJEVKKHTM-UHFFFAOYSA-N 0 2 308.240 3.139 20 5 DGBDLN Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001631022231 1194315507 /nfs/dbraw/zinc/31/55/07/1194315507.db2.gz JGVUNVIUKMPWOI-OAHLLOKOSA-N 0 2 312.325 3.026 20 5 DGBDLN Cc1cc(F)ccc1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001637660480 1194680569 /nfs/dbraw/zinc/68/05/69/1194680569.db2.gz OYXMIQYPGSROTM-SNVBAGLBSA-N 0 2 318.304 3.239 20 5 DGBDLN CC[C@H]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001637827010 1194688411 /nfs/dbraw/zinc/68/84/11/1194688411.db2.gz QEKPYKWYQWAVGU-RYUDHWBXSA-N 0 2 306.362 3.247 20 5 DGBDLN COc1cc(C)cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1C ZINC001637881703 1194691615 /nfs/dbraw/zinc/69/16/15/1194691615.db2.gz OBZOAKYKRITTNS-UHFFFAOYSA-N 0 2 316.313 3.178 20 5 DGBDLN Cc1ccccc1C(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001141376058 1092221489 /nfs/dbraw/zinc/22/14/89/1092221489.db2.gz ZBGRARPUYCBCFU-UHFFFAOYSA-N 0 2 314.341 3.274 20 5 DGBDLN Cc1ccccc1C(F)(F)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001116454508 1095561435 /nfs/dbraw/zinc/56/14/35/1095561435.db2.gz WHZNVYGDRYKMQT-UHFFFAOYSA-N 0 2 322.267 3.339 20 5 DGBDLN COc1cccc2c1[C@@H](Oc1cccc(O)c1[N+](=O)[O-])CCO2 ZINC001225621034 1096486219 /nfs/dbraw/zinc/48/62/19/1096486219.db2.gz ZQIGJELDIVIQCA-ZDUSSCGKSA-N 0 2 317.297 3.212 20 5 DGBDLN COc1cccc2c1[C@H](Oc1cccc(O)c1[N+](=O)[O-])CCO2 ZINC001225621033 1096486423 /nfs/dbraw/zinc/48/64/23/1096486423.db2.gz ZQIGJELDIVIQCA-CYBMUJFWSA-N 0 2 317.297 3.212 20 5 DGBDLN C[C@H](Oc1cccc(O)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001225620518 1096486493 /nfs/dbraw/zinc/48/64/93/1096486493.db2.gz RKBIZLADOIVUBW-VIFPVBQESA-N 0 2 304.258 3.349 20 5 DGBDLN O=[N+]([O-])c1c(O)cccc1OC[C@H]1CCc2ccccc2O1 ZINC001225623295 1096487854 /nfs/dbraw/zinc/48/78/54/1096487854.db2.gz NKGDXLGFJHJWHK-GFCCVEGCSA-N 0 2 301.298 3.073 20 5 DGBDLN CCC[C@@H](Oc1nc(SC)[nH]c(=O)c1[N+](=O)[O-])C(C)C ZINC001227625010 1096963630 /nfs/dbraw/zinc/96/36/30/1096963630.db2.gz MAJRLGLEFKEOQE-MRVPVSSYSA-N 0 2 301.368 3.016 20 5 DGBDLN Cc1cccc2c1[C@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])CC2 ZINC001228967809 1097228818 /nfs/dbraw/zinc/22/88/18/1097228818.db2.gz BSWNJZMBRBFUKI-CYBMUJFWSA-N 0 2 301.298 3.381 20 5 DGBDLN O=C1CC[C@@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])c2ccccc21 ZINC001228971906 1097230231 /nfs/dbraw/zinc/23/02/31/1097230231.db2.gz SPOVFOQGTPCFFB-CQSZACIVSA-N 0 2 315.281 3.103 20 5 DGBDLN C[C@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001228972615 1097230363 /nfs/dbraw/zinc/23/03/63/1097230363.db2.gz AOUNRKPYTCREBF-QMMMGPOBSA-N 0 2 320.257 3.054 20 5 DGBDLN CCOc1cc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC001176671874 1098402086 /nfs/dbraw/zinc/40/20/86/1098402086.db2.gz CAOVLYILTLWWNI-UHFFFAOYSA-N 0 2 317.301 3.139 20 5 DGBDLN O=[N+]([O-])c1ccc(O)cc1-c1nc2cc(N3CCCC3)ccc2[nH]1 ZINC001250854043 1105594289 /nfs/dbraw/zinc/59/42/89/1105594289.db2.gz MLSZCAKJWVUAGA-UHFFFAOYSA-N 0 2 324.340 3.444 20 5 DGBDLN O=[N+]([O-])c1ccc(-c2nnc(Cc3ccccc3F)o2)c(O)c1 ZINC001255861577 1106331541 /nfs/dbraw/zinc/33/15/41/1106331541.db2.gz ZKDJTAPEOVTQBQ-UHFFFAOYSA-N 0 2 315.260 3.080 20 5 DGBDLN CCCCCCc1nnc(-c2cc(OC)c(O)c([N+](=O)[O-])c2)o1 ZINC001256396235 1106414813 /nfs/dbraw/zinc/41/48/13/1106414813.db2.gz ZEFHVBHUFZJKKU-UHFFFAOYSA-N 0 2 321.333 3.482 20 5 DGBDLN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccc(F)cc1F ZINC001319984203 1106759433 /nfs/dbraw/zinc/75/94/33/1106759433.db2.gz VWZGELVGILYROC-MRVPVSSYSA-N 0 2 322.267 3.321 20 5 DGBDLN CC(C)[C@@H]1C[C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2O)CCO1 ZINC000272812025 210212526 /nfs/dbraw/zinc/21/25/26/210212526.db2.gz MAPZMLQOLVJOMS-ABAIWWIYSA-N 0 2 322.361 3.080 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1C[C@]12CCc1ccccc12 ZINC000180766544 303998820 /nfs/dbraw/zinc/99/88/20/303998820.db2.gz FILHIWMOMYVSOK-KDOFPFPSSA-N 0 2 324.336 3.143 20 5 DGBDLN CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1F ZINC000131697371 432035823 /nfs/dbraw/zinc/03/58/23/432035823.db2.gz YNTNOCSIUJLTFT-UHFFFAOYSA-N 0 2 320.276 3.091 20 5 DGBDLN CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CCCC[C@@H]1C ZINC000184952119 199786532 /nfs/dbraw/zinc/78/65/32/199786532.db2.gz MXMZMXWTYBLFKY-SMDDNHRTSA-N 0 2 306.362 3.341 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N(CC1CC1)c1ccccc1 ZINC000180139801 432078831 /nfs/dbraw/zinc/07/88/31/432078831.db2.gz OXNXKKJVBVOUTK-UHFFFAOYSA-N 0 2 312.325 3.357 20 5 DGBDLN Cc1cc(C)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000431136923 238094794 /nfs/dbraw/zinc/09/47/94/238094794.db2.gz GSPUSBTVLWZGDE-UHFFFAOYSA-N 0 2 312.372 3.074 20 5 DGBDLN Cc1cc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c(C)o1 ZINC000063700488 283672645 /nfs/dbraw/zinc/67/26/45/283672645.db2.gz XFQDIUPLBCDVHQ-SECBINFHSA-N 0 2 304.302 3.001 20 5 DGBDLN Cc1ccc(F)c(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000444428679 239289011 /nfs/dbraw/zinc/28/90/11/239289011.db2.gz IHXXOQACIKDAQA-UHFFFAOYSA-N 0 2 318.304 3.020 20 5 DGBDLN Cc1ccc(F)c(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000444448770 239290338 /nfs/dbraw/zinc/29/03/38/239290338.db2.gz XIJKHHDYLFZKCR-UHFFFAOYSA-N 0 2 318.304 3.020 20 5 DGBDLN Cc1cc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])ccc1F ZINC000485123901 244915079 /nfs/dbraw/zinc/91/50/79/244915079.db2.gz UCSMNTBGKHZHSZ-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN CCCOc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000022355781 182319586 /nfs/dbraw/zinc/31/95/86/182319586.db2.gz FBCMEFLRCBNTKB-UHFFFAOYSA-N 0 2 316.313 3.342 20 5 DGBDLN O=C(CCSc1ccccc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000120871902 195254152 /nfs/dbraw/zinc/25/41/52/195254152.db2.gz QKNOHSXSYAFOFD-UHFFFAOYSA-N 0 2 318.354 3.421 20 5 DGBDLN Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)CC2 ZINC000609321772 400159753 /nfs/dbraw/zinc/15/97/53/400159753.db2.gz WKUSHNCXDBSOBV-AWEZNQCLSA-N 0 2 312.325 3.026 20 5 DGBDLN CC(C)[C@@H]1CCC2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 ZINC000601933754 400379191 /nfs/dbraw/zinc/37/91/91/400379191.db2.gz HCQAUWGYMBGYDP-RISCZKNCSA-N 0 2 301.346 3.370 20 5 DGBDLN O=C(Nc1ccc2ccccc2n1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000070878953 400360266 /nfs/dbraw/zinc/36/02/66/400360266.db2.gz RQQMNCULXWYXMC-UHFFFAOYSA-N 0 2 309.281 3.101 20 5 DGBDLN Cc1cccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1C ZINC000115726168 400400272 /nfs/dbraw/zinc/40/02/72/400400272.db2.gz KRAJYAYWUJGAKZ-LBPRGKRZSA-N 0 2 314.341 3.408 20 5 DGBDLN O=C([O-])C1(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000592980928 400725187 /nfs/dbraw/zinc/72/51/87/400725187.db2.gz PIKVFBFMYDIJBH-UHFFFAOYSA-N 0 2 315.329 3.200 20 5 DGBDLN Cc1ccc(S(=O)(=O)Nc2cccc(C)c2C)c([N+](=O)[O-])c1 ZINC000158532593 400725424 /nfs/dbraw/zinc/72/54/24/400725424.db2.gz LJBZJYFHXASGTN-UHFFFAOYSA-N 0 2 320.370 3.321 20 5 DGBDLN C[C@H]1C[C@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000597981012 400711256 /nfs/dbraw/zinc/71/12/56/400711256.db2.gz WZWXTSOTRWIVHH-GDNZZTSVSA-N 0 2 306.362 3.103 20 5 DGBDLN CCC1(CC)CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000598215284 400761300 /nfs/dbraw/zinc/76/13/00/400761300.db2.gz HAJUOZPZTHPKSB-UHFFFAOYSA-N 0 2 306.362 3.343 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@@H]1c1cccc(F)c1 ZINC000613978249 400822244 /nfs/dbraw/zinc/82/22/44/400822244.db2.gz HFABJXHVVYDDBT-CQSZACIVSA-N 0 2 316.288 3.027 20 5 DGBDLN CC(C)(CNC(=O)c1cccc(O)c1[N+](=O)[O-])CC(F)(F)F ZINC000598581695 400836319 /nfs/dbraw/zinc/83/63/19/400836319.db2.gz OMBLMQNDMQVTSZ-UHFFFAOYSA-N 0 2 320.267 3.009 20 5 DGBDLN C[C@H](c1ccco1)[N@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593732168 400900245 /nfs/dbraw/zinc/90/02/45/400900245.db2.gz JHNFBTWZCRBRIV-SNVBAGLBSA-N 0 2 304.302 3.079 20 5 DGBDLN C[C@H](c1ccco1)[N@@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593732168 400900250 /nfs/dbraw/zinc/90/02/50/400900250.db2.gz JHNFBTWZCRBRIV-SNVBAGLBSA-N 0 2 304.302 3.079 20 5 DGBDLN CCCC1CCC(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000065680434 401274649 /nfs/dbraw/zinc/27/46/49/401274649.db2.gz JJAXAPODPLOTRK-UHFFFAOYSA-N 0 2 306.362 3.389 20 5 DGBDLN C[C@H](c1ccc(F)cc1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179400758 228350921 /nfs/dbraw/zinc/35/09/21/228350921.db2.gz URWLSMHUHXZQTM-SNVBAGLBSA-N 0 2 318.304 3.273 20 5 DGBDLN Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cnc2ccccc12 ZINC000356302121 266346676 /nfs/dbraw/zinc/34/66/76/266346676.db2.gz ZCLLSGMPFMVMIC-UHFFFAOYSA-N 0 2 323.308 3.409 20 5 DGBDLN CCC(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000356320481 266353341 /nfs/dbraw/zinc/35/33/41/266353341.db2.gz KPJVZIFKYRXCMD-UHFFFAOYSA-N 0 2 314.297 3.145 20 5 DGBDLN CC[C@H](C)[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436974133 287686223 /nfs/dbraw/zinc/68/62/23/287686223.db2.gz WMWDDKZZJSNKRR-FZMZJTMJSA-N 0 2 306.362 3.341 20 5 DGBDLN CCN(Cc1ccccc1C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000074473832 431425610 /nfs/dbraw/zinc/42/56/10/431425610.db2.gz PJQYJXIRLSPBRF-UHFFFAOYSA-N 0 2 314.341 3.271 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc2cc(F)ccc2[nH]1 ZINC000089541079 431869687 /nfs/dbraw/zinc/86/96/87/431869687.db2.gz HUIUXQFWWQZQLX-UHFFFAOYSA-N 0 2 315.260 3.173 20 5 DGBDLN Cc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000047982665 431917590 /nfs/dbraw/zinc/91/75/90/431917590.db2.gz VJGMKRXTWALSDL-UHFFFAOYSA-N 0 2 312.372 3.074 20 5 DGBDLN CC[C@H](C)[C@H](C)N(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CC1 ZINC000183573399 432305445 /nfs/dbraw/zinc/30/54/45/432305445.db2.gz VOISTEIBXVAXLK-QWRGUYRKSA-N 0 2 306.362 3.340 20 5 DGBDLN CSc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000193002909 432438260 /nfs/dbraw/zinc/43/82/60/432438260.db2.gz YYMDNVSYRQTUHW-UHFFFAOYSA-N 0 2 304.327 3.275 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H]1C1CCCCC1 ZINC000184676430 432419788 /nfs/dbraw/zinc/41/97/88/432419788.db2.gz QRWRLGTWBICIFJ-OAHLLOKOSA-N 0 2 318.373 3.485 20 5 DGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@H]1c1ccsc1 ZINC000272392502 432494466 /nfs/dbraw/zinc/49/44/66/432494466.db2.gz VFNRTFGJHTYCMN-ZDUSSCGKSA-N 0 2 318.354 3.339 20 5 DGBDLN CCC[C@H](C)c1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)n[nH]1 ZINC000156682384 432605078 /nfs/dbraw/zinc/60/50/78/432605078.db2.gz QPXAXHIRMFUZPG-VIFPVBQESA-N 0 2 318.333 3.179 20 5 DGBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(F)c2)c1C ZINC000160869771 432747739 /nfs/dbraw/zinc/74/77/39/432747739.db2.gz LRZZBATZFUNWEK-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN CC1(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])CCCCCC1 ZINC000332360032 433001700 /nfs/dbraw/zinc/00/17/00/433001700.db2.gz QOLDTJJFCYAIKU-UHFFFAOYSA-N 0 2 306.362 3.391 20 5 DGBDLN Cc1ccc(C[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)s1 ZINC000436869065 434146212 /nfs/dbraw/zinc/14/62/12/434146212.db2.gz CQECGTSPSUCJSN-SECBINFHSA-N 0 2 320.370 3.031 20 5 DGBDLN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1cccs1 ZINC000436872745 434146399 /nfs/dbraw/zinc/14/63/99/434146399.db2.gz XCRIBMUVMJJKSP-LLVKDONJSA-N 0 2 306.343 3.243 20 5 DGBDLN CC(C)c1cnc(NC(=O)c2ccc([N+](=O)[O-])cc2O)s1 ZINC000436875916 434146418 /nfs/dbraw/zinc/14/64/18/434146418.db2.gz YZFHKSGQSKRTGZ-UHFFFAOYSA-N 0 2 307.331 3.133 20 5 DGBDLN O=C(N[C@@H](c1cccs1)C1CC1)c1ccc([N+](=O)[O-])cc1O ZINC000436951055 434183444 /nfs/dbraw/zinc/18/34/44/434183444.db2.gz PBOJLJUZFCUFCY-CQSZACIVSA-N 0 2 318.354 3.243 20 5 DGBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(C3CCC3)cc2)[nH]1 ZINC000453026912 434777607 /nfs/dbraw/zinc/77/76/07/434777607.db2.gz NWNLKMVNVRMOBF-TWGQIWQCSA-N 0 2 313.313 3.234 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1Cc2cccc(Cl)c2C1 ZINC000377119167 313019073 /nfs/dbraw/zinc/01/90/73/313019073.db2.gz NNKYHUNIDVGKRY-UHFFFAOYSA-N 0 2 318.716 3.110 20 5 DGBDLN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@@H]2CCCC[C@@H]12 ZINC000530680547 313395637 /nfs/dbraw/zinc/39/56/37/313395637.db2.gz KZMKKIXRTFKYES-KWCYVHTRSA-N 0 2 318.373 3.341 20 5 DGBDLN O=C(Nc1cccc2ccncc21)c1ccc(O)c([N+](=O)[O-])c1 ZINC000543583456 314143251 /nfs/dbraw/zinc/14/32/51/314143251.db2.gz FGQXHSUQPCLFBI-UHFFFAOYSA-N 0 2 309.281 3.101 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1(C(F)F)CCCC1 ZINC000576052965 316089329 /nfs/dbraw/zinc/08/93/29/316089329.db2.gz GAUKDPYZQFHGFL-UHFFFAOYSA-N 0 2 300.261 3.064 20 5 DGBDLN O=C(Nc1cnc2ccccc2c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000164080529 534450526 /nfs/dbraw/zinc/45/05/26/534450526.db2.gz NYBKXTMDVZHGKU-UHFFFAOYSA-N 0 2 309.281 3.101 20 5 DGBDLN O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCc2c1cccc2Cl ZINC000164929704 534714838 /nfs/dbraw/zinc/71/48/38/534714838.db2.gz DFMAQKQYXIKXHT-UHFFFAOYSA-N 0 2 318.716 3.157 20 5 DGBDLN CCN(Cc1cccs1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000157508541 528854488 /nfs/dbraw/zinc/85/44/88/528854488.db2.gz XQAIJINPBFLVOE-UHFFFAOYSA-N 0 2 306.343 3.024 20 5 DGBDLN CCC[C@@H](C)c1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)n[nH]1 ZINC000173354522 528909831 /nfs/dbraw/zinc/90/98/31/528909831.db2.gz PTADFOLHNRDBHY-SECBINFHSA-N 0 2 318.333 3.179 20 5 DGBDLN CCOCc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000184735929 529060060 /nfs/dbraw/zinc/06/00/60/529060060.db2.gz GEDGVBDINLRWQA-UHFFFAOYSA-N 0 2 316.313 3.089 20 5 DGBDLN CCN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]1CCCC[C@@H]1C ZINC000181965828 529075797 /nfs/dbraw/zinc/07/57/97/529075797.db2.gz PNCQBNCPPRMUQY-FZMZJTMJSA-N 0 2 306.362 3.341 20 5 DGBDLN C[N@H+](Cc1cc(C(=O)[O-])co1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000737454392 574844607 /nfs/dbraw/zinc/84/46/07/574844607.db2.gz OHZVHVMOPWGUNH-UHFFFAOYSA-N 0 2 324.720 3.171 20 5 DGBDLN C[N@@H+](Cc1cc(C(=O)[O-])co1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000737454392 574844609 /nfs/dbraw/zinc/84/46/09/574844609.db2.gz OHZVHVMOPWGUNH-UHFFFAOYSA-N 0 2 324.720 3.171 20 5 DGBDLN CCc1oc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC000902136529 619590820 /nfs/dbraw/zinc/59/08/20/619590820.db2.gz QATZQIQUXMKSMU-UHFFFAOYSA-N 0 2 318.329 3.080 20 5 DGBDLN CCc1oc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC000902136529 619590821 /nfs/dbraw/zinc/59/08/21/619590821.db2.gz QATZQIQUXMKSMU-UHFFFAOYSA-N 0 2 318.329 3.080 20 5 DGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cc2ccccc2cc1O ZINC000753975780 621475778 /nfs/dbraw/zinc/47/57/78/621475778.db2.gz JMOWBDIWUCVNGW-UHFFFAOYSA-N 0 2 324.292 3.412 20 5 DGBDLN CCCCCCO[C@H](C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000839722088 621716635 /nfs/dbraw/zinc/71/66/35/621716635.db2.gz BSBIMNKANVPTNR-LLVKDONJSA-N 0 2 310.350 3.224 20 5 DGBDLN Cc1ccc(-c2cnc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])s2)c(C)c1 ZINC000839727932 621717354 /nfs/dbraw/zinc/71/73/54/621717354.db2.gz HGTAFZSPDIOCCC-VXGBXAGGSA-N 0 2 317.370 3.031 20 5 DGBDLN C/C(=C/C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccc(F)cc1 ZINC000760197892 621920397 /nfs/dbraw/zinc/92/03/97/621920397.db2.gz NFDKCWCHQSLNRL-NTMALXAHSA-N 0 2 316.288 3.482 20 5 DGBDLN CC[C@H](C)n1nc(Nc2nc3ccccn3c2[N+](=O)[O-])cc1C ZINC000775699296 623316050 /nfs/dbraw/zinc/31/60/50/623316050.db2.gz CPDQHYIENRJSJN-JTQLQIEISA-N 0 2 314.349 3.462 20 5 DGBDLN O=C(c1cccc(Cl)c1O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000775749523 623325585 /nfs/dbraw/zinc/32/55/85/623325585.db2.gz HZBGDDXTLCSYLN-UHFFFAOYSA-N 0 2 318.716 3.157 20 5 DGBDLN Cc1ccc(N[C@H](C)c2ccccc2[N+](=O)[O-])[nH+]c1C(=O)[O-] ZINC001600464039 1192858318 /nfs/dbraw/zinc/85/83/18/1192858318.db2.gz OGGGVPRGZQRIKJ-SNVBAGLBSA-N 0 2 301.302 3.170 20 5 DGBDLN CC(C)(C)c1ccc(Cc2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)cc1 ZINC001331516676 1178232111 /nfs/dbraw/zinc/23/21/11/1178232111.db2.gz YFGOFWKRRLYUSC-CHWSQXEVSA-N 0 2 301.346 3.091 20 5 DGBDLN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(F)cc(F)c2O)c1C ZINC001451748571 1182274543 /nfs/dbraw/zinc/27/45/43/1182274543.db2.gz DJZITHCZUBEURD-UHFFFAOYSA-N 0 2 322.267 3.448 20 5 DGBDLN CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC001625466223 1194053166 /nfs/dbraw/zinc/05/31/66/1194053166.db2.gz DISUAEUPVNHGEJ-VXGBXAGGSA-N 0 2 322.361 3.130 20 5 DGBDLN CC1(C)CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC001630021413 1194265252 /nfs/dbraw/zinc/26/52/52/1194265252.db2.gz DNJJWPQKJLXUCL-LLVKDONJSA-N 0 2 306.362 3.247 20 5 DGBDLN CCCCCC[C@@H](O)CCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001637881714 1194691687 /nfs/dbraw/zinc/69/16/87/1194691687.db2.gz OVXQRSYHPWPHBS-CYBMUJFWSA-N 0 2 324.377 3.350 20 5 DGBDLN CC(C)C1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC001294662995 1091427549 /nfs/dbraw/zinc/42/75/49/1091427549.db2.gz IBNMYZHRMCQLAS-UHFFFAOYSA-N 0 2 306.362 3.245 20 5 DGBDLN O=[N+]([O-])c1ccc(O)cc1-c1nc(-c2ccc(F)cc2F)no1 ZINC001216678378 1094247648 /nfs/dbraw/zinc/24/76/48/1094247648.db2.gz APHUVTQCHKVELX-UHFFFAOYSA-N 0 2 319.223 3.296 20 5 DGBDLN O=[N+]([O-])c1cccc(O)c1-c1nc(-c2ccc(F)cc2)no1 ZINC001216845338 1094269477 /nfs/dbraw/zinc/26/94/77/1094269477.db2.gz JTUXEZVAGQNEMW-UHFFFAOYSA-N 0 2 301.233 3.157 20 5 DGBDLN O=[N+]([O-])c1c(O)cccc1OC(C(F)(F)F)C(F)(F)F ZINC001225622992 1096487921 /nfs/dbraw/zinc/48/79/21/1096487921.db2.gz LNDAMXXEMPUOGI-UHFFFAOYSA-N 0 2 305.130 3.172 20 5 DGBDLN CSc1nc(O[C@H](C)c2cccs2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227625034 1096963146 /nfs/dbraw/zinc/96/31/46/1096963146.db2.gz MVLZASLXCAZWCR-ZCFIWIBFSA-N 0 2 313.360 3.014 20 5 DGBDLN CSc1nc(O[C@@H](C)c2ccccc2C)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227625351 1096963504 /nfs/dbraw/zinc/96/35/04/1096963504.db2.gz WGNYEPCIZZOBHZ-VIFPVBQESA-N 0 2 321.358 3.261 20 5 DGBDLN CSc1nc(O[C@H]2CCC=CCCC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227625349 1096963569 /nfs/dbraw/zinc/96/35/69/1096963569.db2.gz WFWRSZQXFJIJFM-VIFPVBQESA-N 0 2 311.363 3.080 20 5 DGBDLN CCc1[nH+]ccc(C)c1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174504088 1097753684 /nfs/dbraw/zinc/75/36/84/1097753684.db2.gz CQYUJYLFCUYVDE-UHFFFAOYSA-N 0 2 301.302 3.302 20 5 DGBDLN O=C([O-])c1cc(Nc2cccc(-n3cc[nH+]c3)c2)cc([N+](=O)[O-])c1 ZINC001176676620 1098404513 /nfs/dbraw/zinc/40/45/13/1098404513.db2.gz HGPDLJLJZPVKCT-UHFFFAOYSA-N 0 2 324.296 3.222 20 5 DGBDLN O=[N+]([O-])c1cc(Cc2nc(-c3ccc(F)cc3)no2)ccc1O ZINC001247987595 1105028332 /nfs/dbraw/zinc/02/83/32/1105028332.db2.gz NAYQHQFXBMMBTO-UHFFFAOYSA-N 0 2 315.260 3.080 20 5 DGBDLN CCOC(=O)c1cc(Nc2ccc([N+](=O)[O-])cc2Cl)on1 ZINC001248604028 1105134992 /nfs/dbraw/zinc/13/49/92/1105134992.db2.gz KOIMTFKMZLBYFF-UHFFFAOYSA-N 0 2 311.681 3.157 20 5 DGBDLN O=[N+]([O-])c1ccc(-c2nc3cc(N4CCCC4)ccc3[nH]2)c(O)c1 ZINC001251009268 1105619316 /nfs/dbraw/zinc/61/93/16/1105619316.db2.gz HBUOKPIHVRNPSS-UHFFFAOYSA-N 0 2 324.340 3.444 20 5 DGBDLN O=[N+]([O-])c1cc(O)cc(-c2nc3c([nH]2)c(F)c(F)cc3F)c1 ZINC001251389251 1105656147 /nfs/dbraw/zinc/65/61/47/1105656147.db2.gz DLJGNICWIHAFMC-UHFFFAOYSA-N 0 2 309.203 3.261 20 5 DGBDLN COc1cc(O)c(-c2nc3c(cc(F)cc3F)[nH]2)cc1[N+](=O)[O-] ZINC001251779083 1105694635 /nfs/dbraw/zinc/69/46/35/1105694635.db2.gz YHCDXKGQRKRQAY-UHFFFAOYSA-N 0 2 321.239 3.131 20 5 DGBDLN O=[N+]([O-])c1cccc(O)c1-c1nnc(Cc2ccccc2F)o1 ZINC001255867877 1106333179 /nfs/dbraw/zinc/33/31/79/1106333179.db2.gz WBCDVWFVBFPRTN-UHFFFAOYSA-N 0 2 315.260 3.080 20 5 DGBDLN O=[N+]([O-])c1ccc(O)cc1-c1nnc(CC2CCCCC2)o1 ZINC001257076352 1106533856 /nfs/dbraw/zinc/53/38/56/1106533856.db2.gz KPZLCVMVQCUPRK-UHFFFAOYSA-N 0 2 303.318 3.473 20 5 DGBDLN COc1cc(-c2nnc(C3CCCC3)o2)cc([N+](=O)[O-])c1O ZINC001257588630 1106609945 /nfs/dbraw/zinc/60/99/45/1106609945.db2.gz NFHBONVHHOOPPA-UHFFFAOYSA-N 0 2 305.290 3.017 20 5 DGBDLN CC[C@@H](C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C(F)(F)F ZINC000444546220 529400314 /nfs/dbraw/zinc/40/03/14/529400314.db2.gz MFAVVSSETCUUFL-RDDDGLTNSA-N 0 2 320.267 3.007 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCc2ccccc21 ZINC000322941286 303998838 /nfs/dbraw/zinc/99/88/38/303998838.db2.gz HVHWFGFKGYHKGF-CQSZACIVSA-N 0 2 312.325 3.359 20 5 DGBDLN C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]2CCCC[C@H]12 ZINC000183849320 186224424 /nfs/dbraw/zinc/22/44/24/186224424.db2.gz BESBEKMBQIUTJQ-WQVCFCJDSA-N 0 2 302.374 3.174 20 5 DGBDLN C[C@@H](C1CCCCC1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436684001 295818803 /nfs/dbraw/zinc/81/88/03/295818803.db2.gz XCUSXLHNIHOXMS-NSHDSACASA-N 0 2 306.362 3.341 20 5 DGBDLN CC[C@@H](C)[C@@H](C)N(C(=O)c1cc([N+](=O)[O-])ccc1O)C1CC1 ZINC000179482676 199043754 /nfs/dbraw/zinc/04/37/54/199043754.db2.gz GODQUGSRKPNXJY-GHMZBOCLSA-N 0 2 306.362 3.340 20 5 DGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000180766586 432098320 /nfs/dbraw/zinc/09/83/20/432098320.db2.gz FILHIWMOMYVSOK-KSSFIOAISA-N 0 2 324.336 3.143 20 5 DGBDLN Cn1ccc2c1cccc2C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000089541143 283951275 /nfs/dbraw/zinc/95/12/75/283951275.db2.gz WNBVAAPMGMUDBS-UHFFFAOYSA-N 0 2 311.297 3.044 20 5 DGBDLN CCN(Cc1cccc(F)c1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000122002493 284211239 /nfs/dbraw/zinc/21/12/39/284211239.db2.gz VYJOVAWOBPKLII-UHFFFAOYSA-N 0 2 318.304 3.102 20 5 DGBDLN C[C@@H](CCc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000017156878 182078067 /nfs/dbraw/zinc/07/80/67/182078067.db2.gz DOMXIPUBYIUDHC-LBPRGKRZSA-N 0 2 314.341 3.052 20 5 DGBDLN Cc1cc(F)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1F ZINC000092550062 400181381 /nfs/dbraw/zinc/18/13/81/400181381.db2.gz YVNXJYFUYPOZIC-UHFFFAOYSA-N 0 2 308.240 3.139 20 5 DGBDLN CCC[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000609122476 400140759 /nfs/dbraw/zinc/14/07/59/400140759.db2.gz LLOGPTBETUOJGR-DGCLKSJQSA-N 0 2 306.362 3.389 20 5 DGBDLN CCC[C@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000609122477 400141041 /nfs/dbraw/zinc/14/10/41/400141041.db2.gz LLOGPTBETUOJGR-WCQYABFASA-N 0 2 306.362 3.389 20 5 DGBDLN CC1(C)CN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)c2ccccc21 ZINC000612554955 400563457 /nfs/dbraw/zinc/56/34/57/400563457.db2.gz UNXUBVDGQGWZDN-UHFFFAOYSA-N 0 2 312.325 3.238 20 5 DGBDLN C[C@H]1C[C@H](CNC(=O)c2cccc(O)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000597979897 400711372 /nfs/dbraw/zinc/71/13/72/400711372.db2.gz PKVZUMUTQQFJJP-GDNZZTSVSA-N 0 2 306.362 3.103 20 5 DGBDLN C[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000598439478 400813277 /nfs/dbraw/zinc/81/32/77/400813277.db2.gz LYPUJABLNQFQDS-NSHDSACASA-N 0 2 306.362 3.247 20 5 DGBDLN Cc1ccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1F ZINC000055556128 400877557 /nfs/dbraw/zinc/87/75/57/400877557.db2.gz VUZQODVSSTXENF-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN COc1cc(C(=O)Nc2cccc(Cl)c2O)ccc1[N+](=O)[O-] ZINC000172356397 400823244 /nfs/dbraw/zinc/82/32/44/400823244.db2.gz MVDMOAVBXLPZSJ-UHFFFAOYSA-N 0 2 322.704 3.215 20 5 DGBDLN O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000599072929 400950082 /nfs/dbraw/zinc/95/00/82/400950082.db2.gz COILPYSFUZLKPZ-PBHICJAKSA-N 0 2 315.417 3.189 20 5 DGBDLN O=C(Nc1nc2ccccc2s1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000159921355 228244359 /nfs/dbraw/zinc/24/43/59/228244359.db2.gz YDUWWDWVFHAVAV-UHFFFAOYSA-N 0 2 315.310 3.162 20 5 DGBDLN CSc1ccccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000183347033 228373161 /nfs/dbraw/zinc/37/31/61/228373161.db2.gz SITDNTPKWLMYKD-UHFFFAOYSA-N 0 2 304.327 3.275 20 5 DGBDLN Cc1cc(C)c(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c(C)c1 ZINC000183453730 228374028 /nfs/dbraw/zinc/37/40/28/228374028.db2.gz WMLKEDFXRMLMQQ-UHFFFAOYSA-N 0 2 300.314 3.478 20 5 DGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1Cc2cccc(Cl)c2C1 ZINC000368056524 271125440 /nfs/dbraw/zinc/12/54/40/271125440.db2.gz BVWICQJVOYZCAS-UHFFFAOYSA-N 0 2 318.716 3.110 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC2(CCC2)c2ccccc21 ZINC000368982300 271229371 /nfs/dbraw/zinc/22/93/71/271229371.db2.gz HKBNWTGFAFQHOK-UHFFFAOYSA-N 0 2 324.336 3.383 20 5 DGBDLN CC(C)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000114800292 431412742 /nfs/dbraw/zinc/41/27/42/431412742.db2.gz RDWNABXZYGXWPW-LBPRGKRZSA-N 0 2 306.362 3.199 20 5 DGBDLN O=C(CCc1cc(F)ccc1F)Nc1cc([N+](=O)[O-])ccc1O ZINC000089531363 431869847 /nfs/dbraw/zinc/86/98/47/431869847.db2.gz BTUPHQSOVBGLES-UHFFFAOYSA-N 0 2 322.267 3.150 20 5 DGBDLN Cn1c2ccccc2[nH+]c1CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000124390686 431892807 /nfs/dbraw/zinc/89/28/07/431892807.db2.gz KHUQDQWWSSAOQL-UHFFFAOYSA-N 0 2 324.384 3.204 20 5 DGBDLN Cc1cc2cc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)ccc2[nH]1 ZINC000128181764 431988757 /nfs/dbraw/zinc/98/87/57/431988757.db2.gz ZGVYSJXMYYTTDX-UHFFFAOYSA-N 0 2 311.297 3.342 20 5 DGBDLN C[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000173646187 432291273 /nfs/dbraw/zinc/29/12/73/432291273.db2.gz TYBUYTZVUNCRKY-GVXVVHGQSA-N 0 2 304.346 3.094 20 5 DGBDLN Cc1cc(S(=O)(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c(C)o1 ZINC000183143566 432262853 /nfs/dbraw/zinc/26/28/53/432262853.db2.gz OIAMZCUGKLRAJZ-UHFFFAOYSA-N 0 2 324.358 3.222 20 5 DGBDLN CC[C@H](C)[C@H](C)N(C(=O)c1ccc([N+](=O)[O-])cc1O)C1CC1 ZINC000184754775 432429278 /nfs/dbraw/zinc/42/92/78/432429278.db2.gz HRKMQAMDIHELTN-QWRGUYRKSA-N 0 2 306.362 3.340 20 5 DGBDLN CCC[C@@H](C)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184930782 432445555 /nfs/dbraw/zinc/44/55/55/432445555.db2.gz UNZMMGGMJSBFNL-BXUZGUMPSA-N 0 2 306.362 3.341 20 5 DGBDLN CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(F)cc1 ZINC000184630118 432414236 /nfs/dbraw/zinc/41/42/36/432414236.db2.gz DSQNFNBOGCIMIQ-UHFFFAOYSA-N 0 2 304.277 3.106 20 5 DGBDLN COc1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)ccc1Cl ZINC000194889035 432583740 /nfs/dbraw/zinc/58/37/40/432583740.db2.gz IUJRTDNXMVACSJ-UHFFFAOYSA-N 0 2 322.704 3.215 20 5 DGBDLN CCC(C)(C)[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182148846 282036956 /nfs/dbraw/zinc/03/69/56/282036956.db2.gz GTTXZZJOGASCSC-CQSZACIVSA-N 0 2 306.362 3.341 20 5 DGBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccccc2C)c1C ZINC000160863952 432745765 /nfs/dbraw/zinc/74/57/65/432745765.db2.gz QNQZKSXBRJPQQQ-UHFFFAOYSA-N 0 2 320.370 3.321 20 5 DGBDLN O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000332592047 433009347 /nfs/dbraw/zinc/00/93/47/433009347.db2.gz JUIKAOLMHCNSKR-JHJVBQTASA-N 0 2 318.373 3.389 20 5 DGBDLN CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@@H]1C(C)C ZINC000456294262 433577052 /nfs/dbraw/zinc/57/70/52/433577052.db2.gz PWQYKBVNJPPRCX-SWLSCSKDSA-N 0 2 306.362 3.053 20 5 DGBDLN CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H]1C(C)C ZINC000456358180 433612176 /nfs/dbraw/zinc/61/21/76/433612176.db2.gz YJPLEESOLVIUNB-DZGCQCFKSA-N 0 2 306.362 3.053 20 5 DGBDLN O=[N+]([O-])c1ccc(=NOC[C@H]2CCOC2)[nH]c1-c1ccccc1 ZINC000302740249 433848404 /nfs/dbraw/zinc/84/84/04/433848404.db2.gz CKEQLJDLLWRPCU-LBPRGKRZSA-N 0 2 315.329 3.037 20 5 DGBDLN CC[C@@H](C)n1ncc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1C ZINC000436596576 434030661 /nfs/dbraw/zinc/03/06/61/434030661.db2.gz QZSLGOVLHDLLFO-SECBINFHSA-N 0 2 318.333 3.029 20 5 DGBDLN O=C(N[C@H](c1ccccc1)C1CC1)c1ccc([N+](=O)[O-])cc1O ZINC000436860812 434141141 /nfs/dbraw/zinc/14/11/41/434141141.db2.gz HXVRFAVLWLWQOF-MRXNPFEDSA-N 0 2 312.325 3.182 20 5 DGBDLN CCCCC[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436999754 434199231 /nfs/dbraw/zinc/19/92/31/434199231.db2.gz LRPLSECZWSKPDC-LBPRGKRZSA-N 0 2 306.362 3.485 20 5 DGBDLN CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1C ZINC000318910735 434218026 /nfs/dbraw/zinc/21/80/26/434218026.db2.gz BLTAXACHPRZMBZ-UHFFFAOYSA-N 0 2 300.314 3.424 20 5 DGBDLN CC(C)CC1(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCC1 ZINC000340880091 434409197 /nfs/dbraw/zinc/40/91/97/434409197.db2.gz PFLKMMBFTPHWDR-UHFFFAOYSA-N 0 2 306.362 3.247 20 5 DGBDLN CC(C)[C@H](CC(F)(F)F)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000438607078 434519195 /nfs/dbraw/zinc/51/91/95/434519195.db2.gz SXESVVYOBNQNMQ-JTQLQIEISA-N 0 2 320.267 3.007 20 5 DGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H]1c1ccccc1 ZINC000185173935 304533442 /nfs/dbraw/zinc/53/34/42/304533442.db2.gz LIXWMVRSNZPHPT-HNNXBMFYSA-N 0 2 312.325 3.278 20 5 DGBDLN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(F)cc3F)no2)cc1O ZINC000551104757 435821805 /nfs/dbraw/zinc/82/18/05/435821805.db2.gz LNFJACZNQGYVLX-UHFFFAOYSA-N 0 2 319.223 3.296 20 5 DGBDLN O=C(Nc1cncc2ccccc21)c1ccc(O)c([N+](=O)[O-])c1 ZINC000544552614 314197941 /nfs/dbraw/zinc/19/79/41/314197941.db2.gz YGWCGBXJIRQNOL-UHFFFAOYSA-N 0 2 309.281 3.101 20 5 DGBDLN O=C([O-])c1ccoc1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000563278327 315097572 /nfs/dbraw/zinc/09/75/72/315097572.db2.gz HZBSHDNOEOFDIA-UHFFFAOYSA-N 0 2 316.313 3.051 20 5 DGBDLN O=C([O-])c1ccoc1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000563278327 315097574 /nfs/dbraw/zinc/09/75/74/315097574.db2.gz HZBSHDNOEOFDIA-UHFFFAOYSA-N 0 2 316.313 3.051 20 5 DGBDLN Cc1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)c1F ZINC000181060094 323245053 /nfs/dbraw/zinc/24/50/53/323245053.db2.gz SJUXFIVJHSQSNZ-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN CC(C)N(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179411785 528950486 /nfs/dbraw/zinc/95/04/86/528950486.db2.gz FMOQGAFMSRCZQJ-UHFFFAOYSA-N 0 2 314.341 3.351 20 5 DGBDLN CCOCc1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000164475134 529060590 /nfs/dbraw/zinc/06/05/90/529060590.db2.gz AVBXESZAJLFWJY-UHFFFAOYSA-N 0 2 316.313 3.089 20 5 DGBDLN Cc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)c1 ZINC000736419427 574749133 /nfs/dbraw/zinc/74/91/33/574749133.db2.gz QWKHQDBMIGKUAV-UHFFFAOYSA-N 0 2 324.333 3.152 20 5 DGBDLN O=C1Nc2ccc(Cl)cc2/C1=C\c1ccc([N+](=O)[O-])c(O)c1 ZINC000748147598 575564213 /nfs/dbraw/zinc/56/42/13/575564213.db2.gz HVODSYHHDMQGTD-VZUCSPMQSA-N 0 2 316.700 3.447 20 5 DGBDLN CCOC(=O)c1csc(/C=C\c2ccc(O)c([N+](=O)[O-])c2)n1 ZINC000806562532 626721598 /nfs/dbraw/zinc/72/15/98/626721598.db2.gz LBSWYJBLBWMSOK-XQRVVYSFSA-N 0 2 320.326 3.104 20 5 DGBDLN CC(C)(C(=O)NOCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000814101909 627542239 /nfs/dbraw/zinc/54/22/39/627542239.db2.gz ITPPKXMHKHBXLH-UHFFFAOYSA-N 0 2 314.341 3.120 20 5 DGBDLN C[C@]1(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)CC1(Cl)Cl ZINC000827797749 628992572 /nfs/dbraw/zinc/99/25/72/628992572.db2.gz HNKOMCAGMRVQLI-NSHDSACASA-N 0 2 319.144 3.213 20 5 DGBDLN O=C(CC[C@@H]1CC1(Cl)Cl)Nc1cc([N+](=O)[O-])ccc1O ZINC000831244186 629353222 /nfs/dbraw/zinc/35/32/22/629353222.db2.gz ZZBHJQGBOVYDHI-SSDOTTSWSA-N 0 2 319.144 3.213 20 5 DGBDLN CC(C)(C)Sc1ccc(-c2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)nc1 ZINC000842497453 630541712 /nfs/dbraw/zinc/54/17/12/630541712.db2.gz JHMMPWAFMPDMHE-MWLCHTKSSA-N 0 2 320.374 3.155 20 5 DGBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1c2ccccc2CC[C@@H]1c1ccccc1 ZINC001586095250 1192307877 /nfs/dbraw/zinc/30/78/77/1192307877.db2.gz WNCMXOYFXIOWLE-KBAYOESNSA-N 0 2 322.364 3.372 20 5 DGBDLN O=[N+]([O-])c1cc(Cc2nnc(-c3ccc(F)cc3)o2)ccc1O ZINC001252193177 1178080078 /nfs/dbraw/zinc/08/00/78/1178080078.db2.gz BXVDLMRKIFWMAK-UHFFFAOYSA-N 0 2 315.260 3.080 20 5 DGBDLN O=C(c1ccc(Cl)c(O)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001440938106 1182051824 /nfs/dbraw/zinc/05/18/24/1182051824.db2.gz FTTXMPCGQBNYNE-UHFFFAOYSA-N 0 2 318.716 3.157 20 5 DGBDLN CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC001464656509 1183106030 /nfs/dbraw/zinc/10/60/30/1183106030.db2.gz PNYGHQPSDQSVPJ-LBPRGKRZSA-N 0 2 314.341 3.224 20 5 DGBDLN O=C(Nc1ncc(-c2ccc(Cl)cc2)s1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001544062027 1188375792 /nfs/dbraw/zinc/37/57/92/1188375792.db2.gz OJFNKLQJGIRQPA-NXEZZACHSA-N 0 2 323.761 3.067 20 5 DGBDLN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NOc1ccccc1F ZINC001637450997 1194670452 /nfs/dbraw/zinc/67/04/52/1194670452.db2.gz BPMNSHTVMOFKHF-UHFFFAOYSA-N 0 2 324.695 3.040 20 5 DGBDLN C[C@@H]1CC(CNC(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@H](C)C1 ZINC001640131524 1194798503 /nfs/dbraw/zinc/79/85/03/1194798503.db2.gz SHLFLPWDXKRBKE-QWRGUYRKSA-N 0 2 306.362 3.103 20 5 DGBDLN O=C(NCC1CCC2(CC2)CC1)c1ccc([N+](=O)[O-])cc1O ZINC001642754350 1194935278 /nfs/dbraw/zinc/93/52/78/1194935278.db2.gz AHDPXVYFPZKXHD-UHFFFAOYSA-N 0 2 304.346 3.001 20 5 DGBDLN