smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[C@@H]1Oc2ccc([N+](=O)[O-])cc2NC1=O ZINC000058235281 187323161 /nfs/dbraw/zinc/32/31/61/187323161.db2.gz SMJARLHOPSGEJK-JTQLQIEISA-N 0 0 236.227 1.950 50 5 BDBARN Cc1cc([N+](=O)[O-])cc(C)c1NS(C)(=O)=O ZINC000004606541 178270027 /nfs/dbraw/zinc/27/00/27/178270027.db2.gz GKQOHMCDLAKXQD-UHFFFAOYSA-N 0 0 244.272 1.583 50 5 BDBARN Cc1cc([N+](=O)[O-])nn1CC(=O)c1ccccc1 ZINC000000049628 178275146 /nfs/dbraw/zinc/27/51/46/178275146.db2.gz QYDWSMYWFNTNGL-UHFFFAOYSA-N 0 0 245.238 1.983 50 5 BDBARN Cc1cc2cc([N+](=O)[O-])ccc2[nH]c1=O ZINC000098095331 178296359 /nfs/dbraw/zinc/29/63/59/178296359.db2.gz ZHXVVXCIXJSYTL-UHFFFAOYSA-N 0 0 204.185 1.745 50 5 BDBARN Cc1cc(=O)oc2c3ccccc3[nH]c(=O)c12 ZINC000000088281 342673765 /nfs/dbraw/zinc/67/37/65/342673765.db2.gz FEXCPFKJRNXTEB-UHFFFAOYSA-N 0 0 227.219 1.943 50 5 BDBARN C[C@@H](CO)NC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000032779571 342875104 /nfs/dbraw/zinc/87/51/04/342875104.db2.gz FOFMTZXZFKAERG-ZETCQYMHSA-N 0 0 239.231 1.097 50 5 BDBARN COC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000116251749 342923050 /nfs/dbraw/zinc/92/30/50/342923050.db2.gz WZBRUNXCRWCZBL-UHFFFAOYSA-N 0 0 221.212 1.799 50 5 BDBARN Nc1nc(N2CCCCCC2)ncc1[N+](=O)[O-] ZINC000048543708 343323001 /nfs/dbraw/zinc/32/30/01/343323001.db2.gz ROVFCAUYPFNFGI-UHFFFAOYSA-N 0 0 237.263 1.347 50 5 BDBARN [NH3+][C@H](CC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000000093281 344328477 /nfs/dbraw/zinc/32/84/77/344328477.db2.gz SJBFILRQMRECCK-MRVPVSSYSA-N 0 0 210.189 1.069 50 5 BDBARN O=C1CC[C@@H]([N+](=O)[O-])[C@H](c2ccccc2F)N1 ZINC000000090288 344328757 /nfs/dbraw/zinc/32/87/57/344328757.db2.gz QGDNPJMOWINWST-KOLCDFICSA-N 0 0 238.218 1.422 50 5 BDBARN O=C(CN1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000005064191 344927061 /nfs/dbraw/zinc/92/70/61/344927061.db2.gz YYCQXBBDQJKXFJ-UHFFFAOYSA-N 0 0 249.270 1.629 50 5 BDBARN CC(=O)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000002576269 187360653 /nfs/dbraw/zinc/36/06/53/187360653.db2.gz DKESASVLMZGECV-SNVBAGLBSA-N 0 0 209.201 1.607 50 5 BDBARN O=[N+]([O-])c1c(F)cc(F)c([N+](=O)[O-])c1F ZINC000001706141 187360666 /nfs/dbraw/zinc/36/06/66/187360666.db2.gz CJMQRMFXSRLCQI-UHFFFAOYSA-N 0 0 222.078 1.920 50 5 BDBARN Nc1cc(N2CCCCC2)ncc1[N+](=O)[O-] ZINC000669382642 538001906 /nfs/dbraw/zinc/00/19/06/538001906.db2.gz ICDWQTOZPAWYPU-UHFFFAOYSA-N 0 0 222.248 1.562 50 5 BDBARN Cc1n[nH]c(-n2cnc3ccccc32)c1[N+](=O)[O-] ZINC000004730319 179811177 /nfs/dbraw/zinc/81/11/77/179811177.db2.gz DXASHZWNXUQFFF-UHFFFAOYSA-N 0 0 243.226 1.965 50 5 BDBARN Cn1ccnc1-c1ccc([N+](=O)[O-])cc1 ZINC000068593655 191002080 /nfs/dbraw/zinc/00/20/80/191002080.db2.gz RDCCHZDFNPOUQA-UHFFFAOYSA-N 0 0 203.201 1.995 50 5 BDBARN O=[N+]([O-])c1cnn(-c2ccccc2[N+](=O)[O-])c1 ZINC000012396611 350458381 /nfs/dbraw/zinc/45/83/81/350458381.db2.gz WERMOYJDRRKDPU-UHFFFAOYSA-N 0 0 234.171 1.689 50 5 BDBARN CC(C)N=c1ccccn1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000252467314 350911980 /nfs/dbraw/zinc/91/19/80/350911980.db2.gz CGFCLQNOPOFDPJ-NXEZZACHSA-N 0 0 249.270 1.103 50 5 BDBARN C[C@H](O)CNc1ccc([N+](=O)[O-])c2ncccc12 ZINC000004046018 352618776 /nfs/dbraw/zinc/61/87/76/352618776.db2.gz PZVGFZDQRWMZMC-QMMMGPOBSA-N 0 0 247.254 1.936 50 5 BDBARN O=C1CCCN1c1cccc([N+](=O)[O-])c1 ZINC000001433753 353746300 /nfs/dbraw/zinc/74/63/00/353746300.db2.gz XCCSTAQTJIWEDH-UHFFFAOYSA-N 0 0 206.201 1.722 50 5 BDBARN N=C1NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)S1 ZINC000005763319 181206713 /nfs/dbraw/zinc/20/67/13/181206713.db2.gz KQCJDRGWZYGLDG-YVMONPNESA-N 0 0 249.251 1.733 50 5 BDBARN O=[N+]([O-])c1cccnc1Sc1cccc[n+]1[O-] ZINC000015906909 356532366 /nfs/dbraw/zinc/53/23/66/356532366.db2.gz ZIRKXGMRHFYXSD-UHFFFAOYSA-N 0 0 249.251 1.774 50 5 BDBARN [NH3+][C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)[O-] ZINC000001689169 357134188 /nfs/dbraw/zinc/13/41/88/357134188.db2.gz XKDUODGOACYEEU-VIFPVBQESA-N 0 0 249.226 1.031 50 5 in-vitro BDBARN COC[C@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000019980479 357157400 /nfs/dbraw/zinc/15/74/00/357157400.db2.gz CTQNNQARGWFOQS-ZETCQYMHSA-N 0 0 211.221 1.437 50 5 BDBARN COC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000035567207 358000571 /nfs/dbraw/zinc/00/05/71/358000571.db2.gz TUUGVBZYZYAHPC-UHFFFAOYSA-N 0 0 221.172 1.258 50 5 BDBARN N=C1NN=C(c2ccc([N+](=O)[O-])cc2)CS1 ZINC000000616368 181339480 /nfs/dbraw/zinc/33/94/80/181339480.db2.gz KDAVBSGWGBLQKZ-UHFFFAOYSA-N 0 0 236.256 1.360 50 5 BDBARN Nc1c([N+](=O)[O-])cnnc1-c1ccccc1 ZINC000004114445 181672428 /nfs/dbraw/zinc/67/24/28/181672428.db2.gz UKLNAKDYQHIOGL-UHFFFAOYSA-N 0 0 216.200 1.634 50 5 BDBARN COC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000021003631 371356565 /nfs/dbraw/zinc/35/65/65/371356565.db2.gz DCQOTHBVHDCEHW-UHFFFAOYSA-N 0 0 210.189 1.180 50 5 BDBARN O=[N+]([O-])c1cncc([N+](=O)[O-])c1Cl ZINC000002571269 371596436 /nfs/dbraw/zinc/59/64/36/371596436.db2.gz XXKUEMVJROHZAF-UHFFFAOYSA-N 0 0 203.541 1.551 50 5 BDBARN Nc1ncc(Cl)c(Cl)c1[N+](=O)[O-] ZINC000071255974 181798120 /nfs/dbraw/zinc/79/81/20/181798120.db2.gz KYVDKOZOAOAFDC-UHFFFAOYSA-N 0 0 208.004 1.879 50 5 BDBARN NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000003880151 372083280 /nfs/dbraw/zinc/08/32/80/372083280.db2.gz WJBJSMUUWDXKBR-UHFFFAOYSA-N 0 0 221.138 1.899 50 5 BDBARN O=C1NC(=O)c2cc([N+](=O)[O-])c(Cl)cc21 ZINC000004284696 372194782 /nfs/dbraw/zinc/19/47/82/372194782.db2.gz ADLVDYMTBOSDFE-UHFFFAOYSA-N 0 0 226.575 1.132 50 5 BDBARN Nc1ncc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000039075594 372859886 /nfs/dbraw/zinc/85/98/86/372859886.db2.gz LHUVKANNSWTRJI-UHFFFAOYSA-N 0 0 207.111 1.591 50 5 in-vitro BDBARN O=C(NCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000003447998 182124181 /nfs/dbraw/zinc/12/41/81/182124181.db2.gz RKFVGHWZEUZDGO-UHFFFAOYSA-N 0 0 248.160 1.887 50 5 BDBARN O=C(NCCCCO)c1cccc([N+](=O)[O-])c1 ZINC000004591227 182166022 /nfs/dbraw/zinc/16/60/22/182166022.db2.gz VNMZWNCKOACTBK-UHFFFAOYSA-N 0 0 238.243 1.097 50 5 BDBARN O=C(Nc1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000013115075 182377642 /nfs/dbraw/zinc/37/76/42/182377642.db2.gz NDNHDCHGOIFCAK-UHFFFAOYSA-N 0 0 232.199 1.570 50 5 BDBARN O=C(Nc1ncc([N+](=O)[O-])s1)C(F)F ZINC000004712809 182399275 /nfs/dbraw/zinc/39/92/75/182399275.db2.gz QYDQZAUNZDQKMX-UHFFFAOYSA-N 0 0 223.160 1.255 50 5 BDBARN O=C1OCCN1c1ccccc1[N+](=O)[O-] ZINC000038342431 182827830 /nfs/dbraw/zinc/82/78/30/182827830.db2.gz YSUXEPLYSHKABG-UHFFFAOYSA-N 0 0 208.173 1.551 50 5 BDBARN O=Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000000241880 182863312 /nfs/dbraw/zinc/86/33/12/182863312.db2.gz SUVYFXAZTWIGGZ-UHFFFAOYSA-N 0 0 209.157 1.274 50 5 BDBARN O=[N+]([O-])c1cnn(CCc2nc(C3CC3)no2)c1 ZINC000078774216 182959895 /nfs/dbraw/zinc/95/98/95/182959895.db2.gz GCNZQOQPJVYUNB-UHFFFAOYSA-N 0 0 249.230 1.294 50 5 BDBARN O=[N+]([O-])c1cnc(F)c(Br)c1 ZINC000001594918 182956143 /nfs/dbraw/zinc/95/61/43/182956143.db2.gz NLLPMLSUMJHTCJ-UHFFFAOYSA-N 0 0 220.985 1.891 50 5 BDBARN O=c1ccc([N+](=O)[O-])cn1[C@H]1CCCCO1 ZINC000000136447 183001360 /nfs/dbraw/zinc/00/13/60/183001360.db2.gz KCGJEAFCUKIIPI-SNVBAGLBSA-N 0 0 224.216 1.456 50 5 BDBARN O=c1cccc(-c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000065339172 183002530 /nfs/dbraw/zinc/00/25/30/183002530.db2.gz HQDFUSNTLWVWBQ-UHFFFAOYSA-N 0 0 216.196 1.950 50 5 BDBARN CCCNC(=O)c1noc(C(C)C)c1[N+](=O)[O-] ZINC000004937618 169253908 /nfs/dbraw/zinc/25/39/08/169253908.db2.gz SONFMNQTPCBQJY-UHFFFAOYSA-N 0 0 241.247 1.846 50 5 BDBARN CCCOc1ccc([N+](=O)[O-])cc1C(N)=O ZINC000003163581 169322327 /nfs/dbraw/zinc/32/23/27/169322327.db2.gz CVMPEAZMAIZTPK-UHFFFAOYSA-N 0 0 224.216 1.483 50 5 BDBARN CCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000172563 169335002 /nfs/dbraw/zinc/33/50/02/169335002.db2.gz CHAQFGDMQHQHMK-UHFFFAOYSA-N 0 0 229.257 1.779 50 5 BDBARN O=C(Nc1nccs1)c1ccc([N+](=O)[O-])o1 ZINC000000342225 384081423 /nfs/dbraw/zinc/08/14/23/384081423.db2.gz NKZNKSNTMONKKG-UHFFFAOYSA-N 0 0 239.212 1.897 50 5 BDBARN CC(=O)c1ccc(-n2cc([N+](=O)[O-])nn2)cc1 ZINC000005726470 384126670 /nfs/dbraw/zinc/12/66/70/384126670.db2.gz BIJZZUVUMDOQRQ-UHFFFAOYSA-N 0 0 232.199 1.378 50 5 BDBARN Cc1onc(C(=O)NC2CCCC2)c1[N+](=O)[O-] ZINC000004937360 384258647 /nfs/dbraw/zinc/25/86/47/384258647.db2.gz CXVJFUFBJSBIIN-UHFFFAOYSA-N 0 0 239.231 1.564 50 5 BDBARN Cc1ccc([C@@H]2NC(=O)CC[C@@H]2[N+](=O)[O-])cc1 ZINC000000099333 384299112 /nfs/dbraw/zinc/29/91/12/384299112.db2.gz DLQZVKNZVDCCIV-JQWIXIFHSA-N 0 0 234.255 1.591 50 5 BDBARN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1F ZINC000016158655 384453445 /nfs/dbraw/zinc/45/34/45/384453445.db2.gz KEHWURDASSIIAC-UHFFFAOYSA-N 0 0 219.193 1.137 50 5 BDBARN Cc1ccc(C)c(Cn2cnc([N+](=O)[O-])n2)c1 ZINC000048603092 384500653 /nfs/dbraw/zinc/50/06/53/384500653.db2.gz CUCGVDWODFDBDO-UHFFFAOYSA-N 0 0 232.243 1.851 50 5 BDBARN O=[N+]([O-])c1ccc2nc(C3CC3)nn2c1 ZINC000082749393 384560849 /nfs/dbraw/zinc/56/08/49/384560849.db2.gz ZPHOTSMBGWTEMG-UHFFFAOYSA-N 0 0 204.189 1.515 50 5 BDBARN COc1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000113303873 384766665 /nfs/dbraw/zinc/76/66/65/384766665.db2.gz VTJJNTUYXQZYRP-UHFFFAOYSA-N 0 0 202.597 1.839 50 5 BDBARN COC(=O)c1ccc(SN)c([N+](=O)[O-])c1 ZINC000000501161 385088608 /nfs/dbraw/zinc/08/86/08/385088608.db2.gz XYNKJAMPBWKISK-UHFFFAOYSA-N 0 0 228.229 1.347 50 5 BDBARN O=C(c1ncco1)c1ccc([N+](=O)[O-])cc1 ZINC000085651138 385575861 /nfs/dbraw/zinc/57/58/61/385575861.db2.gz SOTWEQBYCNXMLO-UHFFFAOYSA-N 0 0 218.168 1.814 50 5 BDBARN CS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000015443091 385985657 /nfs/dbraw/zinc/98/56/57/385985657.db2.gz DMNZSCLCCLDNPZ-UHFFFAOYSA-N 0 0 235.648 1.652 50 5 BDBARN COCc1noc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000078774881 386799887 /nfs/dbraw/zinc/79/98/87/386799887.db2.gz QSHPSSZEETXZGR-UHFFFAOYSA-N 0 0 235.199 1.791 50 5 BDBARN O=C1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000075110646 386815559 /nfs/dbraw/zinc/81/55/59/386815559.db2.gz CFIXFLHFRWDSGP-ZETCQYMHSA-N 0 0 209.205 1.476 50 5 BDBARN COC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000001701153 387471915 /nfs/dbraw/zinc/47/19/15/387471915.db2.gz QXIFGUCZQLEFBZ-UHFFFAOYSA-N 0 0 201.203 1.751 50 5 BDBARN O=Cc1cc(N2CCSC2)ccc1[N+](=O)[O-] ZINC000169725300 387973796 /nfs/dbraw/zinc/97/37/96/387973796.db2.gz LXSJHLRGPQEJOM-UHFFFAOYSA-N 0 0 238.268 1.918 50 5 BDBARN CC(C)[C@H]1Oc2cc([N+](=O)[O-])ccc2NC1=O ZINC000058235300 388379092 /nfs/dbraw/zinc/37/90/92/388379092.db2.gz UBWNWQCPTMSACN-SNVBAGLBSA-N 0 0 236.227 1.950 50 5 BDBARN CC[C@@H](C)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000070644111 388439272 /nfs/dbraw/zinc/43/92/72/388439272.db2.gz DBSUVWOAMNDHMH-RXMQYKEDSA-N 0 0 211.225 1.177 50 5 BDBARN CNc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000055175135 388676735 /nfs/dbraw/zinc/67/67/35/388676735.db2.gz FGLJAMZQXJCEQV-UHFFFAOYSA-N 0 0 210.189 1.408 50 5 BDBARN O=[N+]([O-])c1ccc(OC[C@H]2CCCCO2)nc1 ZINC000067802470 388700675 /nfs/dbraw/zinc/70/06/75/388700675.db2.gz RNEHHMCDKCMMJP-SNVBAGLBSA-N 0 0 238.243 1.938 50 5 BDBARN Cc1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000096096199 388806249 /nfs/dbraw/zinc/80/62/49/388806249.db2.gz NRPDWSIWNPLTSR-UHFFFAOYSA-N 0 0 219.200 1.877 50 5 BDBARN O=[N+]([O-])c1cc2c(cc1Cl)OCO2 ZINC000095094122 388759431 /nfs/dbraw/zinc/75/94/31/388759431.db2.gz GWDKDQSLKYJHKS-UHFFFAOYSA-N 0 0 201.565 1.977 50 5 BDBARN O=[N+]([O-])c1ccc(NCCc2ccc[nH]2)nc1 ZINC000095460495 388775473 /nfs/dbraw/zinc/77/54/73/388775473.db2.gz VYBFTBKODKGBTJ-UHFFFAOYSA-N 0 0 232.243 1.973 50 5 BDBARN C[C@@]([NH3+])(CC(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000096345500 388816259 /nfs/dbraw/zinc/81/62/59/388816259.db2.gz UARPLVHWZJYCSD-SNVBAGLBSA-N 0 0 224.216 1.243 50 5 BDBARN O=C1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000004052142 132316174 /nfs/dbraw/zinc/31/61/74/132316174.db2.gz BMXFDVAJYBTGRC-UHFFFAOYSA-N 0 0 238.218 1.903 50 5 BDBARN O=[N+]([O-])c1cc(F)ccc1N1CCC(O)CC1 ZINC000015443058 132323106 /nfs/dbraw/zinc/32/31/06/132323106.db2.gz UOPYYFRFTXJMNM-UHFFFAOYSA-N 0 0 240.234 1.695 50 5 BDBARN CONC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000119995810 410173656 /nfs/dbraw/zinc/17/36/56/410173656.db2.gz OJXSUAPRHMUUHI-UHFFFAOYSA-N 0 0 239.231 1.895 50 5 BDBARN CCOC(=N)c1ccc(N)c([N+](=O)[O-])c1 ZINC000116501070 170180336 /nfs/dbraw/zinc/18/03/36/170180336.db2.gz HDZBKBNXWMLBKK-UHFFFAOYSA-N 0 0 209.205 1.539 50 5 BDBARN CCOC(=O)CSc1ncccc1[N+](=O)[O-] ZINC000034098825 170230439 /nfs/dbraw/zinc/23/04/39/170230439.db2.gz ARPVEEBNSSEKNA-UHFFFAOYSA-N 0 0 242.256 1.645 50 5 biogenic,in-vitro BDBARN CCOC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000003878867 170244009 /nfs/dbraw/zinc/24/40/09/170244009.db2.gz VENNERPQXXLLRT-UHFFFAOYSA-N 0 0 211.177 1.558 50 5 BDBARN CCOC(=O)[C@H](C)n1nc(C)c([N+](=O)[O-])c1C ZINC000002738281 170270363 /nfs/dbraw/zinc/27/03/63/170270363.db2.gz LUQISWYIEFMQLP-QMMMGPOBSA-N 0 0 241.247 1.532 50 5 BDBARN CCOC(=O)[C@H](CC)n1nc([N+](=O)[O-])cc1C ZINC000002731929 170272567 /nfs/dbraw/zinc/27/25/67/170272567.db2.gz DMDORBHFKTUDCE-QMMMGPOBSA-N 0 0 241.247 1.614 50 5 BDBARN CCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000001665097 170293195 /nfs/dbraw/zinc/29/31/95/170293195.db2.gz IBQREHJPMPCXQA-UHFFFAOYSA-N 0 0 240.171 1.680 50 5 BDBARN CCOC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000016183387 170296092 /nfs/dbraw/zinc/29/60/92/170296092.db2.gz HPCYANYWTUCLMH-UHFFFAOYSA-N 0 0 210.189 1.354 50 5 BDBARN CCOc1cc(N)c([N+](=O)[O-])cc1F ZINC000004796104 170524085 /nfs/dbraw/zinc/52/40/85/170524085.db2.gz IXBTZWMWZZYTIT-UHFFFAOYSA-N 0 0 200.169 1.715 50 5 BDBARN CC[C@@](C)([N+](=O)[O-])[C@@](C)(CC)[N+](=O)[O-] ZINC000002173706 171192892 /nfs/dbraw/zinc/19/28/92/171192892.db2.gz GVEMMQMBSPOZFY-HTQZYQBOSA-N 0 0 204.226 1.877 50 5 BDBARN CC[C@H](C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000005638106 171349914 /nfs/dbraw/zinc/34/99/14/171349914.db2.gz HXSPTRBMKFDKOS-ZETCQYMHSA-N 0 0 237.259 1.904 50 5 BDBARN CC[C@@](C)([N+](=O)[O-])[C@](C)(CC)[N+](=O)[O-] ZINC000002173705 171708307 /nfs/dbraw/zinc/70/83/07/171708307.db2.gz GVEMMQMBSPOZFY-OCAPTIKFSA-N 0 0 204.226 1.877 50 5 BDBARN CN(C)C(=S)c1cccc([N+](=O)[O-])c1 ZINC000003173120 172393521 /nfs/dbraw/zinc/39/35/21/172393521.db2.gz GBMJUCMAUOZPSD-UHFFFAOYSA-N 0 0 210.258 1.832 50 5 BDBARN CN(C)C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000008683553 172394042 /nfs/dbraw/zinc/39/40/42/172394042.db2.gz MNYXLPJFJPKZAQ-UHFFFAOYSA-N 0 0 225.273 1.853 50 5 BDBARN CN1CCC/C1=C\c1c([N+](=O)[O-])cnn1C ZINC000049717189 173000976 /nfs/dbraw/zinc/00/09/76/173000976.db2.gz FXLPOKPRQQEBAL-SOFGYWHQSA-N 0 0 222.248 1.395 50 5 BDBARN CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000008014987 173477217 /nfs/dbraw/zinc/47/72/17/173477217.db2.gz XWTXCOQNEYZNSZ-UHFFFAOYSA-N 0 0 235.243 1.529 50 5 BDBARN COC(=O)CSc1ccc(N)cc1[N+](=O)[O-] ZINC000095215784 173617323 /nfs/dbraw/zinc/61/73/23/173617323.db2.gz RQZYZULZVNBROB-UHFFFAOYSA-N 0 0 242.256 1.442 50 5 BDBARN COC(=O)c1cc(N)cc([N+](=O)[O-])c1C ZINC000062350332 173858841 /nfs/dbraw/zinc/85/88/41/173858841.db2.gz HVACSQNWWAHGGC-UHFFFAOYSA-N 0 0 210.189 1.272 50 5 BDBARN COCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000000860002 174059267 /nfs/dbraw/zinc/05/92/67/174059267.db2.gz WSKFLQOMGJVIDE-UHFFFAOYSA-N 0 0 224.216 1.488 50 5 BDBARN COC[C@H](O)CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000071271428 174599725 /nfs/dbraw/zinc/59/97/25/174599725.db2.gz AGIKGVJBQCRBFB-SNVBAGLBSA-N 0 0 240.259 1.322 50 5 BDBARN COc1cc2c(cc1[N+](=O)[O-])CC[NH2+]C2 ZINC000097757528 175026488 /nfs/dbraw/zinc/02/64/88/175026488.db2.gz XWTZUMUHDLXXER-UHFFFAOYSA-N 0 0 208.217 1.249 50 5 BDBARN COc1ccc([C@@H](C[N+](=O)[O-])OC)cc1OC ZINC000002170187 175179572 /nfs/dbraw/zinc/17/95/72/175179572.db2.gz SDEXXXYTUGUWOT-LLVKDONJSA-N 0 0 241.243 1.668 50 5 BDBARN CS(=O)(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000039270125 175436979 /nfs/dbraw/zinc/43/69/79/175436979.db2.gz QXHBGUXOBBSNNZ-UHFFFAOYSA-N 0 0 219.193 1.137 50 5 BDBARN C[C@H](O)CCN(C)c1cccc(F)c1[N+](=O)[O-] ZINC000096429744 176960293 /nfs/dbraw/zinc/96/02/93/176960293.db2.gz ISMBZJIVHVIZOQ-QMMMGPOBSA-N 0 0 242.250 1.941 50 5 BDBARN C[C@H]1CC(=O)N(C)c2cc([N+](=O)[O-])ccc2N1 ZINC000004622963 177061679 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LXKCNLOKKALBEH-UHFFFAOYSA-N 0 0 208.221 1.739 50 5 BDBARN Nc1cc(C(F)(F)F)c([N+](=O)[O-])cc1O ZINC000035636319 358008971 /nfs/dbraw/zinc/00/89/71/358008971.db2.gz FKHIQXACMFXULG-UHFFFAOYSA-N 0 0 222.122 1.901 50 5 in-vitro BDBARN O=[N+]([O-])c1ccccc1-c1n[nH]c(=S)[nH]1 ZINC000006863826 361032277 /nfs/dbraw/zinc/03/22/77/361032277.db2.gz GEUANHNCWBKHCO-UHFFFAOYSA-N 0 0 222.229 1.669 50 5 BDBARN O=[N+]([O-])c1cnc(Cl)nc1NC1CC1 ZINC000012759602 370947645 /nfs/dbraw/zinc/94/76/45/370947645.db2.gz NNWSQRLDWYRIRV-UHFFFAOYSA-N 0 0 214.612 1.613 50 5 BDBARN Cc1cc(=O)[nH]c2ccc([N+](=O)[O-])cc12 ZINC000009461262 370502505 /nfs/dbraw/zinc/50/25/05/370502505.db2.gz QBBNQTCDZWMPAH-UHFFFAOYSA-N 0 0 204.185 1.745 50 5 BDBARN CON(C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000003086092 371868477 /nfs/dbraw/zinc/86/84/77/371868477.db2.gz VKFWVHMGZMSNCQ-UHFFFAOYSA-N 0 0 239.231 1.928 50 5 BDBARN O=C1CS[C@@H](c2cccc([N+](=O)[O-])c2)N1 ZINC000032190880 372158147 /nfs/dbraw/zinc/15/81/47/372158147.db2.gz 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BCASLTWSRADKQB-SECBINFHSA-N 0 0 247.258 1.687 50 5 BDBARN O=C(Nc1cc[nH]n1)c1csc([N+](=O)[O-])c1 ZINC000049449737 182351226 /nfs/dbraw/zinc/35/12/26/182351226.db2.gz YSXPYWZCYWXSSF-UHFFFAOYSA-N 0 0 238.228 1.632 50 5 BDBARN O=C1NCCc2c3cc([N+](=O)[O-])ccc3[nH]c21 ZINC000000077349 182809362 /nfs/dbraw/zinc/80/93/62/182809362.db2.gz OGWVNBMJFPRUIP-UHFFFAOYSA-N 0 0 231.211 1.362 50 5 biogenic BDBARN O=Cc1coc2c(cccc2[N+](=O)[O-])c1=O ZINC000085210653 182875097 /nfs/dbraw/zinc/87/50/97/182875097.db2.gz PBTHIVFXYVXJAP-UHFFFAOYSA-N 0 0 219.152 1.514 50 5 BDBARN O=[N+]([O-])c1c(NC2CC2)ncnc1NC1CC1 ZINC000004350580 182921063 /nfs/dbraw/zinc/92/10/63/182921063.db2.gz FLGGCPMESVOKFW-UHFFFAOYSA-N 0 0 235.247 1.533 50 5 BDBARN O=[N+]([O-])c1cnc(NCc2ccco2)nc1 ZINC000040454308 182958988 /nfs/dbraw/zinc/95/89/88/182958988.db2.gz CYPIMIBNEDTQGL-UHFFFAOYSA-N 0 0 220.188 1.590 50 5 BDBARN CCCNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000095495991 169296484 /nfs/dbraw/zinc/29/64/84/169296484.db2.gz QFCVJPWYAKLCNM-UHFFFAOYSA-N 0 0 239.231 1.598 50 5 BDBARN CCCOc1ccc([N+](=O)[O-])c(F)n1 ZINC000261494438 169322626 /nfs/dbraw/zinc/32/26/26/169322626.db2.gz XQHDHBGHNUFOJD-UHFFFAOYSA-N 0 0 200.169 1.918 50 5 BDBARN CCCOn1nnc2ccc([N+](=O)[O-])cc21 ZINC000002497078 169328699 /nfs/dbraw/zinc/32/86/99/169328699.db2.gz WAGPKKWLHDAYMJ-UHFFFAOYSA-N 0 0 222.204 1.178 50 5 BDBARN CCCn1nc([N+](=O)[O-])cc1C(=O)OCC ZINC000012399016 169625143 /nfs/dbraw/zinc/62/51/43/169625143.db2.gz SGDUBQLDMMIJCC-UHFFFAOYSA-N 0 0 227.220 1.378 50 5 BDBARN CC[C@@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000004850760 384167541 /nfs/dbraw/zinc/16/75/41/384167541.db2.gz BTQOLHFXAUGYLI-JTQLQIEISA-N 0 0 224.260 1.455 50 5 BDBARN O=c1ccc(=O)c2sc3ccccc3[nH]c1=2 ZINC000101449077 384403591 /nfs/dbraw/zinc/40/35/91/384403591.db2.gz SABJUIHBGQDXIZ-UHFFFAOYSA-N 0 0 229.260 1.675 50 5 BDBARN Cc1cc(=O)n(CC(F)(F)F)cc1[N+](=O)[O-] ZINC000095416414 384811925 /nfs/dbraw/zinc/81/19/25/384811925.db2.gz INYWHVMRDHRKDE-UHFFFAOYSA-N 0 0 236.149 1.627 50 5 BDBARN COC(=O)Cc1cc(F)cc(F)c1[N+](=O)[O-] ZINC000263623815 385009375 /nfs/dbraw/zinc/00/93/75/385009375.db2.gz KYDKBLPQUCEYAL-UHFFFAOYSA-N 0 0 231.154 1.589 50 5 BDBARN Nc1cc([N+](=O)[O-])ccc1OCC(F)F ZINC000072209532 385064667 /nfs/dbraw/zinc/06/46/67/385064667.db2.gz KKJMEDANBJCANM-UHFFFAOYSA-N 0 0 218.159 1.821 50 5 BDBARN C[C@@H](CO)CSc1ccc([N+](=O)[O-])cn1 ZINC000072301739 385097915 /nfs/dbraw/zinc/09/79/15/385097915.db2.gz KIEWDMQVLWBCHN-ZETCQYMHSA-N 0 0 228.273 1.710 50 5 BDBARN CS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000015443220 385986231 /nfs/dbraw/zinc/98/62/31/385986231.db2.gz WZDJGBZROJQCSA-UHFFFAOYSA-N 0 0 219.193 1.137 50 5 BDBARN Nc1ncnc(Nc2cccc(F)c2)c1[N+](=O)[O-] ZINC000003912552 385939493 /nfs/dbraw/zinc/93/94/93/385939493.db2.gz OYDCIXKPLJBJQV-UHFFFAOYSA-N 0 0 249.205 1.850 50 5 BDBARN O=[N+]([O-])c1cc2n[nH]cc2c([N+](=O)[O-])c1 ZINC000004086015 386754076 /nfs/dbraw/zinc/75/40/76/386754076.db2.gz XDUJSJUGOHAQFZ-UHFFFAOYSA-N 0 0 208.133 1.379 50 5 BDBARN Cc1cc(=O)n(-c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000100072632 387019654 /nfs/dbraw/zinc/01/96/54/387019654.db2.gz PFURZMDZLVUZIB-UHFFFAOYSA-N 0 0 219.200 1.382 50 5 BDBARN CC(=O)Nc1cc2cccc([N+](=O)[O-])c2oc1=O ZINC000000237699 322809293 /nfs/dbraw/zinc/80/92/93/322809293.db2.gz WMOWPQGUZSANTO-UHFFFAOYSA-N 0 0 248.194 1.660 50 5 BDBARN CCNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000035322459 387281575 /nfs/dbraw/zinc/28/15/75/387281575.db2.gz COOGXBRUUZBDDU-UHFFFAOYSA-N 0 0 244.272 1.201 50 5 BDBARN O=Cc1c([N+](=O)[O-])cccc1N1CC(F)(F)C1 ZINC000169725219 387974596 /nfs/dbraw/zinc/97/45/96/387974596.db2.gz NYZOKHKBRUIQEO-UHFFFAOYSA-N 0 0 242.181 1.863 50 5 BDBARN O=[N+]([O-])c1cc(CSC[C@@H](O)CO)cs1 ZINC000089764681 388366583 /nfs/dbraw/zinc/36/65/83/388366583.db2.gz SMTQJDUPNFBCLI-ZETCQYMHSA-N 0 0 249.313 1.243 50 5 BDBARN Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000003204695 388368436 /nfs/dbraw/zinc/36/84/36/388368436.db2.gz PUEUDKAZSHKSOZ-UHFFFAOYSA-N 0 0 206.161 1.227 50 5 BDBARN COC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000016891103 388368597 /nfs/dbraw/zinc/36/85/97/388368597.db2.gz NVXKMHUNXMXXDM-DAXSKMNVSA-N 0 0 207.185 1.781 50 5 BDBARN CC(=O)N(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000071405356 388443779 /nfs/dbraw/zinc/44/37/79/388443779.db2.gz XASIWRBSHMCMEA-UHFFFAOYSA-N 0 0 238.243 1.452 50 5 BDBARN C[C@H](O)CCN(C)c1ccc([N+](=O)[O-])nc1 ZINC000078417986 388680223 /nfs/dbraw/zinc/68/02/23/388680223.db2.gz GRUPREFFSGQJCQ-QMMMGPOBSA-N 0 0 225.248 1.197 50 5 BDBARN O=c1c([N+](=O)[O-])cccn1C[C@@H]1CCCCO1 ZINC000078979232 388743046 /nfs/dbraw/zinc/74/30/46/388743046.db2.gz DDCYSPAHDWBDBO-VIFPVBQESA-N 0 0 238.243 1.326 50 5 BDBARN CN(Cc1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000081092787 388716633 /nfs/dbraw/zinc/71/66/33/388716633.db2.gz SRVJIXWDUZKYQD-UHFFFAOYSA-N 0 0 246.270 1.965 50 5 BDBARN Cc1cc(N2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000004004630 132292372 /nfs/dbraw/zinc/29/23/72/132292372.db2.gz LHUDCVLOZNVKOS-UHFFFAOYSA-N 0 0 240.234 1.879 50 5 BDBARN O=[N+]([O-])c1ccc(N2CCC(O)CC2)c(F)c1 ZINC000015443729 132322930 /nfs/dbraw/zinc/32/29/30/132322930.db2.gz OHJPBJCNSVQUJC-UHFFFAOYSA-N 0 0 240.234 1.695 50 5 BDBARN O=[N+]([O-])c1cccnc1N1CCCCC1 ZINC000019293180 132324713 /nfs/dbraw/zinc/32/47/13/132324713.db2.gz BZBDHAOGBMKWDD-UHFFFAOYSA-N 0 0 207.233 1.980 50 5 BDBARN CC(C)(C)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000062022631 166639988 /nfs/dbraw/zinc/63/99/88/166639988.db2.gz MFSWHSQGZPUBOT-UHFFFAOYSA-N 0 0 211.225 1.177 50 5 BDBARN CC(C)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000095495964 167087794 /nfs/dbraw/zinc/08/77/94/167087794.db2.gz HFTDIYBNAMRKOD-UHFFFAOYSA-N 0 0 209.205 1.128 50 5 BDBARN CC(C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000006831185 167144898 /nfs/dbraw/zinc/14/48/98/167144898.db2.gz OIMBUMDYMRTAFK-UHFFFAOYSA-N 0 0 223.232 1.514 50 5 BDBARN Cc1csc(NC(=O)[C@H]2CC2[N+](=O)[O-])n1 ZINC000047239779 411118112 /nfs/dbraw/zinc/11/81/12/411118112.db2.gz MEGRFEMDMIRMFS-NTSWFWBYSA-N 0 0 227.245 1.055 50 5 BDBARN COCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000002874469 411171850 /nfs/dbraw/zinc/17/18/50/411171850.db2.gz ROMCGRIODBQANN-UHFFFAOYSA-N 0 0 227.216 1.758 50 5 BDBARN CON(C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000048299213 411186760 /nfs/dbraw/zinc/18/67/60/411186760.db2.gz UKQMZBJAWCXLFN-UHFFFAOYSA-N 0 0 249.226 1.710 50 5 BDBARN CCC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000004141592 168255190 /nfs/dbraw/zinc/25/51/90/168255190.db2.gz OZIQYDPFZXTZSB-UHFFFAOYSA-N 0 0 237.211 1.959 50 5 BDBARN CCNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000005194752 170105943 /nfs/dbraw/zinc/10/59/43/170105943.db2.gz DRXNTJUGFANLMS-UHFFFAOYSA-N 0 0 225.273 1.901 50 5 BDBARN CCNc1c2nonc2ccc1[N+](=O)[O-] ZINC000004658765 170171321 /nfs/dbraw/zinc/17/13/21/170171321.db2.gz WFSLENNUBRAKQR-UHFFFAOYSA-N 0 0 208.177 1.563 50 5 BDBARN CCOCCCNc1ncccc1[N+](=O)[O-] ZINC000020549094 170384092 /nfs/dbraw/zinc/38/40/92/170384092.db2.gz YRFBHEOIFUENAB-UHFFFAOYSA-N 0 0 225.248 1.828 50 5 BDBARN CCc1ccc(NCC(=O)OC)cc1[N+](=O)[O-] ZINC000069452160 171820554 /nfs/dbraw/zinc/82/05/54/171820554.db2.gz FGTJFWTVNONNKX-UHFFFAOYSA-N 0 0 238.243 1.742 50 5 BDBARN CCc1nc([N+](=O)[O-])c(Br)[nH]1 ZINC000031775877 172008317 /nfs/dbraw/zinc/00/83/17/172008317.db2.gz ZVIJYFFMEHGGES-UHFFFAOYSA-N 0 0 220.026 1.643 50 5 BDBARN CCn1nc(C)c([N+](=O)[O-])c1-n1ccnc1 ZINC000091555856 172248803 /nfs/dbraw/zinc/24/88/03/172248803.db2.gz HNQNIOFHUWIPHO-UHFFFAOYSA-N 0 0 221.220 1.305 50 5 BDBARN CN(C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000005668109 172353768 /nfs/dbraw/zinc/35/37/68/172353768.db2.gz MXUSTFHXFASGAH-VOTSOKGWSA-N 0 0 220.228 1.696 50 5 BDBARN CN(CCO)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000030947832 172750856 /nfs/dbraw/zinc/75/08/56/172750856.db2.gz OQTMBINYBGITRE-UHFFFAOYSA-N 0 0 239.231 1.051 50 5 BDBARN CN(c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C)C1=O ZINC000075053434 173149332 /nfs/dbraw/zinc/14/93/32/173149332.db2.gz GQDFIJVRICMVOT-NSHDSACASA-N 0 0 249.270 1.262 50 5 BDBARN CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000006420996 173211419 /nfs/dbraw/zinc/21/14/19/173211419.db2.gz BJQGXGXCPQAIAU-VOTSOKGWSA-N 0 0 206.201 1.354 50 5 BDBARN CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000000163906 173310211 /nfs/dbraw/zinc/31/02/11/173310211.db2.gz QGEACCYXLCMQFM-UHFFFAOYSA-N 0 0 214.608 1.608 50 5 BDBARN COC(=O)Cc1cc(F)cc([N+](=O)[O-])c1F ZINC000263624648 173640585 /nfs/dbraw/zinc/64/05/85/173640585.db2.gz SGQOUCYFZVKESK-UHFFFAOYSA-N 0 0 231.154 1.589 50 5 BDBARN COCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000004551217 174060004 /nfs/dbraw/zinc/06/00/04/174060004.db2.gz BSZDKAWXKIJZSS-UHFFFAOYSA-N 0 0 224.216 1.488 50 5 BDBARN COC[C@H](C)OC(=O)c1ccccc1[N+](=O)[O-] ZINC000073836387 174553862 /nfs/dbraw/zinc/55/38/62/174553862.db2.gz ZWZWQVPSKYEQDE-QMMMGPOBSA-N 0 0 239.227 1.787 50 5 BDBARN COc1cc(F)c([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000092583356 174992631 /nfs/dbraw/zinc/99/26/31/174992631.db2.gz KEGVMKQPUCBSEC-UHFFFAOYSA-N 0 0 237.190 1.928 50 5 BDBARN COc1ccc(OC)c([N+](=O)[O-])c1OC ZINC000261494359 175169965 /nfs/dbraw/zinc/16/99/65/175169965.db2.gz VTQJJNUGVFKMSU-UHFFFAOYSA-N 0 0 213.189 1.621 50 5 BDBARN COc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000008077251 175200826 /nfs/dbraw/zinc/20/08/26/175200826.db2.gz VMLFKPZFBHJROK-UHFFFAOYSA-N 0 0 236.227 1.496 50 5 BDBARN CSC(=N)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000006175064 175441279 /nfs/dbraw/zinc/44/12/79/175441279.db2.gz CEUNETKZMDXPEW-UHFFFAOYSA-N 0 0 239.256 1.622 50 5 BDBARN C[C@@H]1CC(=O)Nc2cc([N+](=O)[O-])ccc2N1 ZINC000003879796 176050526 /nfs/dbraw/zinc/05/05/26/176050526.db2.gz KIXSJWROHBXXPD-ZCFIWIBFSA-N 0 0 221.216 1.737 50 5 BDBARN Nc1nnc(-c2ccc([N+](=O)[O-])o2)s1 ZINC000008615561 487533179 /nfs/dbraw/zinc/53/31/79/487533179.db2.gz SXZZHGJWUBJKHH-UHFFFAOYSA-N 0 0 212.190 1.289 50 5 in-vitro BDBARN O=C(c1ccccc1[N+](=O)[O-])N1CCCO1 ZINC000097083460 491124715 /nfs/dbraw/zinc/12/47/15/491124715.db2.gz WURHAJAANQWTMW-UHFFFAOYSA-N 0 0 222.200 1.372 50 5 BDBARN CCOC(=O)Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000195043820 528920385 /nfs/dbraw/zinc/92/03/85/528920385.db2.gz RWIQATBLPMUMEB-UHFFFAOYSA-N 0 0 239.231 1.232 50 5 BDBARN O=Cc1ccc(-n2cccn2)c([N+](=O)[O-])c1 ZINC000026514477 583690662 /nfs/dbraw/zinc/69/06/62/583690662.db2.gz RZUDRZDNXIJYLV-UHFFFAOYSA-N 0 0 217.184 1.593 50 5 BDBARN O=[N+]([O-])[C@]1(Br)CN2CCC1CC2 ZINC000958528498 644804611 /nfs/dbraw/zinc/80/46/11/644804611.db2.gz PAJOIGZOBYRAIQ-SSDOTTSWSA-N 0 0 235.081 1.080 50 5 BDBARN Cc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000100004314 178200788 /nfs/dbraw/zinc/20/07/88/178200788.db2.gz WBEUYYLNOZBSTA-UHFFFAOYSA-N 0 0 219.200 1.795 50 5 BDBARN Cc1cc(OCCn2cncn2)ccc1[N+](=O)[O-] ZINC000000618202 178211591 /nfs/dbraw/zinc/21/15/91/178211591.db2.gz ZDNIXQBFDHMEKC-UHFFFAOYSA-N 0 0 248.242 1.574 50 5 BDBARN Cn1ccc2c(cccc2[N+](=O)[O-])c1=O ZINC000001508243 342702029 /nfs/dbraw/zinc/70/20/29/342702029.db2.gz ZJFKSSNHLIRRHQ-UHFFFAOYSA-N 0 0 204.185 1.447 50 5 BDBARN O=[N+]([O-])[C@@H]1CCC[C@@H]2[C@@H]1CCC[C@@H]2[N+](=O)[O-] ZINC000004533138 342881255 /nfs/dbraw/zinc/88/12/55/342881255.db2.gz QTKVEILORHUNPS-YNFQOJQRSA-N 0 0 228.248 1.877 50 5 BDBARN C[C@H](CO)Sc1ncccc1[N+](=O)[O-] ZINC000078676288 398313017 /nfs/dbraw/zinc/31/30/17/398313017.db2.gz POBCFQQZPFNOCM-ZCFIWIBFSA-N 0 0 214.246 1.463 50 5 BDBARN C=CS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1 ZINC000018194643 187206459 /nfs/dbraw/zinc/20/64/59/187206459.db2.gz DFCKJWJQHFMXPC-UHFFFAOYSA-N 0 0 229.213 1.447 50 5 BDBARN COC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000043472677 343084316 /nfs/dbraw/zinc/08/43/16/343084316.db2.gz JUJHJOYZQVZRSW-UHFFFAOYSA-N 0 0 229.163 1.286 50 5 BDBARN CC(=O)Nc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000004661689 187246595 /nfs/dbraw/zinc/24/65/95/187246595.db2.gz AQEFIRMOFYNFKT-UHFFFAOYSA-N 0 0 222.200 1.756 50 5 BDBARN CC(=O)Nc1ccc(C=O)cc1[N+](=O)[O-] ZINC000005124953 187247530 /nfs/dbraw/zinc/24/75/30/187247530.db2.gz CNCOWQRMRJIFOH-UHFFFAOYSA-N 0 0 208.173 1.366 50 5 BDBARN CC(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000005160590 187248065 /nfs/dbraw/zinc/24/80/65/187248065.db2.gz ZXERTWPNZJETAC-UHFFFAOYSA-N 0 0 225.160 1.461 50 5 BDBARN Nc1nc(NCc2ccccc2)ncc1[N+](=O)[O-] ZINC000048543819 343322853 /nfs/dbraw/zinc/32/28/53/343322853.db2.gz XBVJXBKFIRBQJX-UHFFFAOYSA-N 0 0 245.242 1.579 50 5 BDBARN O=C1C=CC(=O)N1CCc1ccc([N+](=O)[O-])cc1 ZINC000040676174 343408470 /nfs/dbraw/zinc/40/84/70/343408470.db2.gz UWCSFFFOYLJQRQ-UHFFFAOYSA-N 0 0 246.222 1.062 50 5 BDBARN O=Cc1ccc([N+](=O)[O-])c(N2CC(F)(F)C2)c1 ZINC000095081148 187286416 /nfs/dbraw/zinc/28/64/16/187286416.db2.gz HHSSTHHGYQDZET-UHFFFAOYSA-N 0 0 242.181 1.863 50 5 BDBARN Cc1nn(Cc2ccccn2)cc1[N+](=O)[O-] ZINC000097148511 187289864 /nfs/dbraw/zinc/28/98/64/187289864.db2.gz JSDHYQRTVIYYNS-UHFFFAOYSA-N 0 0 218.216 1.543 50 5 BDBARN O=C1CC[C@@H]([N+](=O)[O-])[C@@H](c2cccs2)N1 ZINC000000088844 344245238 /nfs/dbraw/zinc/24/52/38/344245238.db2.gz NXGSXROJOVXBSB-MUWHJKNJSA-N 0 0 226.257 1.345 50 5 BDBARN CC[C@H]([N+](=O)[O-])S(=O)(=O)c1ccccc1 ZINC000004829196 344423389 /nfs/dbraw/zinc/42/33/89/344423389.db2.gz XVFBDLIRPLCVCL-SECBINFHSA-N 0 0 229.257 1.473 50 5 BDBARN CC(=O)O[C@H]1C[C@H](n2cnc([N+](=O)[O-])c2)C1 ZINC000101003758 187291061 /nfs/dbraw/zinc/29/10/61/187291061.db2.gz YCDQAVAXJSNPIC-OCAPTIKFSA-N 0 0 225.204 1.058 50 5 BDBARN CC(=O)c1cnc2c([N+](=O)[O-])cnn2c1C ZINC000004820847 344403689 /nfs/dbraw/zinc/40/36/89/344403689.db2.gz SWKUQGPZHZEQJV-UHFFFAOYSA-N 0 0 220.188 1.149 50 5 BDBARN O=C(c1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC000000103200 344404907 /nfs/dbraw/zinc/40/49/07/344404907.db2.gz ZZSKMNCIAKKVRB-UHFFFAOYSA-N 0 0 236.227 1.067 50 5 BDBARN O=[N+]([O-])c1cn(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000003161083 344531539 /nfs/dbraw/zinc/53/15/39/344531539.db2.gz PGGLEPBDEDPURO-UHFFFAOYSA-N 0 0 234.171 1.689 50 5 BDBARN O=[N+]([O-])c1c[n+]([O-])n(-c2ccc(Cl)cc2)n1 ZINC000004922533 344835002 /nfs/dbraw/zinc/83/50/02/344835002.db2.gz NQPVZHKBLCSJJY-UHFFFAOYSA-N 0 0 240.606 1.067 50 5 BDBARN CC1(c2ccc(F)c([N+](=O)[O-])c2)OCCO1 ZINC000170614008 187304275 /nfs/dbraw/zinc/30/42/75/187304275.db2.gz DAKZEISGQYHKRR-UHFFFAOYSA-N 0 0 227.191 1.953 50 5 BDBARN COC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000447105 345758383 /nfs/dbraw/zinc/75/83/83/345758383.db2.gz FTXSTHBPUMZTAC-QMMMGPOBSA-N 0 0 238.243 1.360 50 5 BDBARN O=c1[nH]c(Sc2ccccn2)ccc1[N+](=O)[O-] ZINC000017125698 187311695 /nfs/dbraw/zinc/31/16/95/187311695.db2.gz RNHYVEIXNRXAFF-UHFFFAOYSA-N 0 0 249.251 1.829 50 5 BDBARN O=[N+]([O-])c1nc2n(n1)[C@@H]1CCCC[C@@H]1O2 ZINC000001030734 346176055 /nfs/dbraw/zinc/17/60/55/346176055.db2.gz NVPJRUJXEJAPLQ-RITPCOANSA-N 0 0 210.193 1.062 50 5 BDBARN C[N+](C)(CCCS(=O)(=O)[O-])c1ccccc1 ZINC000005377537 346204697 /nfs/dbraw/zinc/20/46/97/346204697.db2.gz CEWPVSOYJVXSOE-UHFFFAOYSA-O 0 0 244.336 1.531 50 5 BDBARN O=C(c1cccc([N+](=O)[O-])c1)n1cccn1 ZINC000000476587 346272474 /nfs/dbraw/zinc/27/24/74/346272474.db2.gz FTQAJICLVLRIQF-UHFFFAOYSA-N 0 0 217.184 1.480 50 5 BDBARN O=c1[nH]ccc2c3ccccc3[nH]c(=O)c12 ZINC000000155476 346401186 /nfs/dbraw/zinc/40/11/86/346401186.db2.gz AYFFBQWUOFFAIC-UHFFFAOYSA-N 0 0 212.208 1.370 50 5 BDBARN CCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000166893849 346693885 /nfs/dbraw/zinc/69/38/85/346693885.db2.gz KMINZYZEIGHLAP-UHFFFAOYSA-N 0 0 244.272 1.381 50 5 BDBARN O=[N+]([O-])c1cc2nonc2c(Br)c1 ZINC000068675326 191002098 /nfs/dbraw/zinc/00/20/98/191002098.db2.gz NFBBFZYVYYVNCP-UHFFFAOYSA-N 0 0 244.004 1.894 50 5 BDBARN Cc1nc(NC(C)(C)CO)ccc1[N+](=O)[O-] ZINC000035131968 180016145 /nfs/dbraw/zinc/01/61/45/180016145.db2.gz HJGFJRPRXSOHQU-UHFFFAOYSA-N 0 0 225.248 1.481 50 5 BDBARN Cc1nc([N+](=O)[O-])c(Br)[nH]1 ZINC000004311295 180059876 /nfs/dbraw/zinc/05/98/76/180059876.db2.gz YOJYWZSEUWUYAQ-UHFFFAOYSA-N 0 0 205.999 1.389 50 5 BDBARN O=[N+]([O-])c1cc(F)ccc1NCCCO ZINC000033607679 350451826 /nfs/dbraw/zinc/45/18/26/350451826.db2.gz BUEQGTVYXFOTHO-UHFFFAOYSA-N 0 0 214.196 1.528 50 5 BDBARN Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000095951672 180395548 /nfs/dbraw/zinc/39/55/48/180395548.db2.gz LRWVJCBSTHPQNV-UHFFFAOYSA-N 0 0 205.173 1.953 50 5 BDBARN CN(C)c1c2ccccc2oc(=O)c1[N+](=O)[O-] ZINC000003895940 351460642 /nfs/dbraw/zinc/46/06/42/351460642.db2.gz QWKFOYWSBKPTHC-UHFFFAOYSA-N 0 0 234.211 1.767 50 5 BDBARN O=[N+]([O-])c1ncn(Cc2ccc(Cl)nc2)n1 ZINC000037730017 187936004 /nfs/dbraw/zinc/93/60/04/187936004.db2.gz IKVPSXAOIIBCDO-UHFFFAOYSA-N 0 0 239.622 1.283 50 5 BDBARN CC(C)N(C)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000096500698 187975213 /nfs/dbraw/zinc/97/52/13/187975213.db2.gz NPCCXZDAODCEGU-UHFFFAOYSA-N 0 0 238.247 1.862 50 5 BDBARN O=C1NCCCCc2scc([N+](=O)[O-])c21 ZINC000001307223 353133800 /nfs/dbraw/zinc/13/38/00/353133800.db2.gz HMZMMCZFSGYVLY-UHFFFAOYSA-N 0 0 226.257 1.722 50 5 BDBARN CC(=O)c1ccc(SCCO)c([N+](=O)[O-])c1 ZINC000002156330 363422099 /nfs/dbraw/zinc/42/20/99/363422099.db2.gz WRJDWCSECWKCSW-UHFFFAOYSA-N 0 0 241.268 1.882 50 5 BDBARN Nc1nc(=O)c2cc([N+](=O)[O-])ccc2s1 ZINC000009354443 181211649 /nfs/dbraw/zinc/21/16/49/181211649.db2.gz DVNODYDWKZZBKS-UHFFFAOYSA-N 0 0 223.213 1.390 50 5 BDBARN NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000036608 181297776 /nfs/dbraw/zinc/29/77/76/181297776.db2.gz CGXRJCDXGJRBHV-UHFFFAOYSA-N 0 0 200.581 1.347 50 5 BDBARN O=[N+]([O-])c1ccc2c(c1)ncn2CCCCO ZINC000002027418 359807431 /nfs/dbraw/zinc/80/74/31/359807431.db2.gz GONJYLAHBFMUEF-UHFFFAOYSA-N 0 0 235.243 1.717 50 5 BDBARN CON(C)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000027069664 360522233 /nfs/dbraw/zinc/52/22/33/360522233.db2.gz LEHYIRPYDVBOMB-BQYQJAHWSA-N 0 0 236.227 1.628 50 5 BDBARN O=C1NC(=S)NC1=Cc1cccc([N+](=O)[O-])c1 ZINC000018044460 369384049 /nfs/dbraw/zinc/38/40/49/369384049.db2.gz YLAMPWFIFGRNCQ-VMPITWQZSA-N 0 0 249.251 1.351 50 5 BDBARN O=[N+]([O-])c1ccc([C@H]2OCN3COC[C@@H]23)cc1 ZINC000019203810 371124535 /nfs/dbraw/zinc/12/45/35/371124535.db2.gz DBDXAJVSKWAGLH-WDEREUQCSA-N 0 0 236.227 1.282 50 5 BDBARN O=[N+]([O-])c1cccnc1NC[C@H]1CCCO1 ZINC000020024258 371218733 /nfs/dbraw/zinc/21/87/33/371218733.db2.gz KLRBXKGXINREBS-MRVPVSSYSA-N 0 0 223.232 1.581 50 5 BDBARN COC(=O)CCCNc1ncccc1[N+](=O)[O-] ZINC000020405289 371279171 /nfs/dbraw/zinc/27/91/71/371279171.db2.gz PVJANZWQINAFQX-UHFFFAOYSA-N 0 0 239.231 1.355 50 5 BDBARN O=[N+]([O-])c1ccc(NCCO)c(F)c1 ZINC000020474790 371285819 /nfs/dbraw/zinc/28/58/19/371285819.db2.gz QFQBBENWEBUOGW-UHFFFAOYSA-N 0 0 200.169 1.138 50 5 BDBARN O=[N+]([O-])c1cccc(-c2n[nH]c(=S)[nH]2)c1 ZINC000002479848 371554861 /nfs/dbraw/zinc/55/48/61/371554861.db2.gz HCOKKYWOAPKADT-UHFFFAOYSA-N 0 0 222.229 1.669 50 5 BDBARN Nc1n[nH]c2c1cc([N+](=O)[O-])cc2Cl ZINC000042684512 181774419 /nfs/dbraw/zinc/77/44/19/181774419.db2.gz NTJSXPXNGMVYCV-UHFFFAOYSA-N 0 0 212.596 1.707 50 5 BDBARN CN(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000002567297 371586238 /nfs/dbraw/zinc/58/62/38/371586238.db2.gz OXIFFLMOPHMUEE-UHFFFAOYSA-N 0 0 211.177 1.569 50 5 BDBARN CC1(c2ccc([N+](=O)[O-])cc2)OCCO1 ZINC000003029995 371844454 /nfs/dbraw/zinc/84/44/54/371844454.db2.gz HHXVQNVADPECCD-UHFFFAOYSA-N 0 0 209.201 1.814 50 5 BDBARN Cc1ccc(NCn2cncn2)cc1[N+](=O)[O-] ZINC000003124438 371881002 /nfs/dbraw/zinc/88/10/02/371881002.db2.gz FAHMWKFCFHQPGB-UHFFFAOYSA-N 0 0 233.231 1.564 50 5 BDBARN O=[N+]([O-])[C@@H]1CCC[C@@H]2[C@H]1CCC[C@H]2[N+](=O)[O-] ZINC000003132699 371884532 /nfs/dbraw/zinc/88/45/32/371884532.db2.gz QTKVEILORHUNPS-ZYUZMQFOSA-N 0 0 228.248 1.877 50 5 BDBARN CC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000004016574 372115457 /nfs/dbraw/zinc/11/54/57/372115457.db2.gz FNGVDDLTALTXPK-ZETCQYMHSA-N 0 0 220.228 1.892 50 5 BDBARN O=[N+]([O-])c1cc2cn[nH]c2c([N+](=O)[O-])c1 ZINC000004170724 372155910 /nfs/dbraw/zinc/15/59/10/372155910.db2.gz MGXWPPPGZMFBAO-UHFFFAOYSA-N 0 0 208.133 1.379 50 5 BDBARN [NH3+][C@@H](CC(=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000032222701 372162878 /nfs/dbraw/zinc/16/28/78/372162878.db2.gz FWKPRIDXTRTCLJ-ZETCQYMHSA-N 0 0 244.634 1.723 50 5 BDBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccon1 ZINC000001055662 182038222 /nfs/dbraw/zinc/03/82/22/182038222.db2.gz IQXCLFHHXKFJRJ-UHFFFAOYSA-N 0 0 247.210 1.764 50 5 BDBARN O=C(NCc1ccco1)c1ccc([N+](=O)[O-])o1 ZINC000000066721 182263277 /nfs/dbraw/zinc/26/32/77/182263277.db2.gz ZGMGSSRLZJYOKH-UHFFFAOYSA-N 0 0 236.183 1.711 50 5 BDBARN O=C(NCc1ccccc1)c1[nH]ncc1[N+](=O)[O-] ZINC000000053794 182257199 /nfs/dbraw/zinc/25/71/99/182257199.db2.gz XVBPNQIDODXICI-UHFFFAOYSA-N 0 0 246.226 1.248 50 5 BDBARN O=C(Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000004550032 182360910 /nfs/dbraw/zinc/36/09/10/182360910.db2.gz PXCMXAOVWGQBSS-UHFFFAOYSA-N 0 0 206.201 1.943 50 5 in-vitro BDBARN O=C(Nc1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000004044688 182363055 /nfs/dbraw/zinc/36/30/55/182363055.db2.gz PXQMSCKKVCXUKO-UHFFFAOYSA-N 0 0 207.189 1.338 50 5 BDBARN O=C(Nc1ccncc1)c1ccc([N+](=O)[O-])o1 ZINC000000304274 182386940 /nfs/dbraw/zinc/38/69/40/182386940.db2.gz NPHVAXHCDBAVFL-UHFFFAOYSA-N 0 0 233.183 1.835 50 5 BDBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000000124903 182664990 /nfs/dbraw/zinc/66/49/90/182664990.db2.gz VGGZQWDRWOXJTA-UHFFFAOYSA-N 0 0 236.227 1.067 50 5 BDBARN O=[N+]([O-])c1ccc(NCc2cc[nH]n2)nc1 ZINC000040436306 182936304 /nfs/dbraw/zinc/93/63/04/182936304.db2.gz XIGJCZMAWHRFDB-UHFFFAOYSA-N 0 0 219.204 1.325 50 5 BDBARN O=[N+]([O-])c1cc(Cl)[n+]([O-])c(Cl)c1 ZINC000001722624 182921930 /nfs/dbraw/zinc/92/19/30/182921930.db2.gz LWOLKOLHQCMQDE-UHFFFAOYSA-N 0 0 208.988 1.535 50 5 in-vitro BDBARN O=[N+]([O-])c1ccn(-c2cnc3ccccc3n2)n1 ZINC000065592774 182954888 /nfs/dbraw/zinc/95/48/88/182954888.db2.gz CVCZYUPBIJPGNT-UHFFFAOYSA-N 0 0 241.210 1.724 50 5 BDBARN O=[N+]([O-])c1ccn(Cc2ccccc2)n1 ZINC000000614318 182954621 /nfs/dbraw/zinc/95/46/21/182954621.db2.gz UUQVFBBHWLZERQ-UHFFFAOYSA-N 0 0 203.201 1.840 50 5 BDBARN O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)C=C2 ZINC000000162014 182940995 /nfs/dbraw/zinc/94/09/95/182940995.db2.gz ZRRGOUHITGRLBA-UHFFFAOYSA-N 0 0 211.198 1.353 50 5 in-vitro BDBARN O=[N+]([O-])c1ccc2nc(C3CCC3)nn2c1 ZINC000252536210 182942166 /nfs/dbraw/zinc/94/21/66/182942166.db2.gz HWIBLHHWPPMWAE-UHFFFAOYSA-N 0 0 218.216 1.905 50 5 BDBARN O=[N+]([O-])c1cnn(-c2nc3ccccc3o2)c1 ZINC000078990230 182960895 /nfs/dbraw/zinc/96/08/95/182960895.db2.gz CGCZICODDAGVEZ-UHFFFAOYSA-N 0 0 230.183 1.922 50 5 BDBARN O=[N+]([O-])c1cnc(Br)cn1 ZINC000034224181 182955737 /nfs/dbraw/zinc/95/57/37/182955737.db2.gz AODWTNYHOYDRJJ-UHFFFAOYSA-N 0 0 203.983 1.147 50 5 BDBARN O=c1ccc([N+](=O)[O-])cn1Cc1ccccc1 ZINC000001644780 183001225 /nfs/dbraw/zinc/00/12/25/183001225.db2.gz PSEMHQVFVHHFBK-UHFFFAOYSA-N 0 0 230.223 1.805 50 5 BDBARN COCOc1cc(F)ccc1[N+](=O)[O-] ZINC000035049392 383825716 /nfs/dbraw/zinc/82/57/16/383825716.db2.gz UWIZRXPPCYEUOZ-UHFFFAOYSA-N 0 0 201.153 1.717 50 5 BDBARN O=C(Nc1ncccn1)c1ccc([N+](=O)[O-])cc1 ZINC000000334710 384064985 /nfs/dbraw/zinc/06/49/85/384064985.db2.gz IKQWZJPNAKFNNO-UHFFFAOYSA-N 0 0 244.210 1.637 50 5 BDBARN C[C@]1(COC(=O)c2ccc([N+](=O)[O-])cc2)CO1 ZINC000004529443 384388293 /nfs/dbraw/zinc/38/82/93/384388293.db2.gz PUBTVFBOTFDPTA-NSHDSACASA-N 0 0 237.211 1.541 50 5 BDBARN COC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000056523 384445571 /nfs/dbraw/zinc/44/55/71/384445571.db2.gz SYYKLKHBZGFKOC-UHFFFAOYSA-N 0 0 241.199 1.399 50 5 BDBARN Nc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000000104411 384583646 /nfs/dbraw/zinc/58/36/46/384583646.db2.gz JVORYYXVRXHXMK-UHFFFAOYSA-N 0 0 206.161 1.227 50 5 BDBARN Cc1c([N+](=O)[O-])cccc1N1CCOC1=O ZINC000071790909 384699764 /nfs/dbraw/zinc/69/97/64/384699764.db2.gz QLIOGVFKDIDCFG-UHFFFAOYSA-N 0 0 222.200 1.860 50 5 BDBARN O=[N+]([O-])c1cnn(CCC(F)(F)F)c1 ZINC000071791960 384699925 /nfs/dbraw/zinc/69/99/25/384699925.db2.gz YXXWAAYLXUWEQB-UHFFFAOYSA-N 0 0 209.127 1.744 50 5 BDBARN Nc1nc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000085223434 385058809 /nfs/dbraw/zinc/05/88/09/385058809.db2.gz YSMYCFONKCAXBB-UHFFFAOYSA-N 0 0 207.111 1.591 50 5 BDBARN CN(C[C@@H]1CCOC1)c1ccc([N+](=O)[O-])nc1 ZINC000096453841 385175826 /nfs/dbraw/zinc/17/58/26/385175826.db2.gz WRORBHFBXTXSAD-VIFPVBQESA-N 0 0 237.259 1.463 50 5 BDBARN Cc1cnc(N(C)C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000085427050 385177537 /nfs/dbraw/zinc/17/75/37/385177537.db2.gz ZOVLPNLRNDJUAL-QMMMGPOBSA-N 0 0 225.248 1.115 50 5 BDBARN COC(=O)c1ccc(-n2cccn2)c([N+](=O)[O-])c1 ZINC000001397289 386204507 /nfs/dbraw/zinc/20/45/07/386204507.db2.gz AXPWKQIABGEOOK-UHFFFAOYSA-N 0 0 247.210 1.567 50 5 BDBARN COC(=O)/C=C/COc1ccccc1[N+](=O)[O-] ZINC000006179386 386771138 /nfs/dbraw/zinc/77/11/38/386771138.db2.gz TXPBVOLPRBZKTB-QPJJXVBHSA-N 0 0 237.211 1.703 50 5 BDBARN CCOP(=O)(OCC)[C@](C)(O)C[N+](=O)[O-] ZINC000003188625 388368518 /nfs/dbraw/zinc/36/85/18/388368518.db2.gz BRPIYNSROJUAQR-ZETCQYMHSA-N 0 0 241.180 1.238 50 5 BDBARN O=[N+]([O-])c1cc(CN2CCC[C@H]2CO)cs1 ZINC000069535334 388420167 /nfs/dbraw/zinc/42/01/67/388420167.db2.gz BQTCFAJEGXDWLC-VIFPVBQESA-N 0 0 242.300 1.613 50 5 BDBARN CCC1(O)CN(c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000094663489 388646737 /nfs/dbraw/zinc/64/67/37/388646737.db2.gz JFUOPAVIOWXHII-UHFFFAOYSA-N 0 0 236.271 1.864 50 5 BDBARN COC(=O)Nc1ccc(C(C)=O)c([N+](=O)[O-])c1 ZINC000091693052 388648164 /nfs/dbraw/zinc/64/81/64/388648164.db2.gz XOIUHNSDCPXIAQ-UHFFFAOYSA-N 0 0 238.199 1.976 50 5 BDBARN O=c1c([N+](=O)[O-])cccn1C[C@H]1CCCCO1 ZINC000078979236 388742794 /nfs/dbraw/zinc/74/27/94/388742794.db2.gz DDCYSPAHDWBDBO-SECBINFHSA-N 0 0 238.243 1.326 50 5 BDBARN C[C@@H]1Oc2cc([N+](=O)[O-])ccc2NC1=O ZINC000011691854 388708974 /nfs/dbraw/zinc/70/89/74/388708974.db2.gz KBLXGQKTRWROCS-YFKPBYRVSA-N 0 0 208.173 1.314 50 5 BDBARN O=Cc1ccc([N+](=O)[O-])cc1N1CCOCC1 ZINC000095081115 388758108 /nfs/dbraw/zinc/75/81/08/388758108.db2.gz YKUFQRCCOVZXHY-UHFFFAOYSA-N 0 0 236.227 1.244 50 5 BDBARN Cc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000095626698 388782200 /nfs/dbraw/zinc/78/22/00/388782200.db2.gz RPUNZAYBJWRPCQ-UHFFFAOYSA-N 0 0 219.200 1.382 50 5 BDBARN CCN(C(C)=O)c1ccc([N+](=O)[O-])cc1 ZINC000004353216 169664046 /nfs/dbraw/zinc/66/40/46/169664046.db2.gz POGUNGMMMFNPOE-UHFFFAOYSA-N 0 0 208.217 1.968 50 5 BDBARN 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O=CNc1nc(-c2coc([N+](=O)[O-])c2)cs1 ZINC000000333723 182855072 /nfs/dbraw/zinc/85/50/72/182855072.db2.gz JWIDTZSGGZLDLE-UHFFFAOYSA-N 0 0 239.212 1.880 50 5 BDBARN O=[N+]([O-])c1cccnc1Sc1ncccn1 ZINC000000166651 182954215 /nfs/dbraw/zinc/95/42/15/182954215.db2.gz VKHXUEUJDJXTHS-UHFFFAOYSA-N 0 0 234.240 1.931 50 5 BDBARN O=C(Nc1ncccn1)c1cccc([N+](=O)[O-])c1 ZINC000000304644 384030069 /nfs/dbraw/zinc/03/00/69/384030069.db2.gz ANOAMEKOHLQTGZ-UHFFFAOYSA-N 0 0 244.210 1.637 50 5 BDBARN Cc1noc(NCc2ccc([N+](=O)[O-])cc2)n1 ZINC000097045276 384303846 /nfs/dbraw/zinc/30/38/46/384303846.db2.gz JATRFBLCKHWOAM-UHFFFAOYSA-N 0 0 234.215 1.898 50 5 BDBARN O=[N+]([O-])c1ccc(-c2cc(CO)on2)cc1 ZINC000075513880 384327429 /nfs/dbraw/zinc/32/74/29/384327429.db2.gz CQRBUCNIAWIELB-UHFFFAOYSA-N 0 0 220.184 1.742 50 5 BDBARN O=[N+]([O-])c1ccc(NC2(CO)CC2)cc1 ZINC000097032920 384541763 /nfs/dbraw/zinc/54/17/63/384541763.db2.gz JAIISKUYLBJDMK-UHFFFAOYSA-N 0 0 208.217 1.532 50 5 BDBARN Cc1ccc(S(=O)(=O)C[N+](=O)[O-])cc1 ZINC000100026643 384610656 /nfs/dbraw/zinc/61/06/56/384610656.db2.gz HXKBRXCBGUYTGS-UHFFFAOYSA-N 0 0 215.230 1.003 50 5 BDBARN COc1cc(C)c([N+](=O)[O-])c(C(N)=O)c1 ZINC000521400085 384627678 /nfs/dbraw/zinc/62/76/78/384627678.db2.gz ADGYVXVEPLZKHL-UHFFFAOYSA-N 0 0 210.189 1.011 50 5 BDBARN Cc1ccc(CN2CCOCC2)cc1[N+](=O)[O-] ZINC000071257113 384747024 /nfs/dbraw/zinc/74/70/24/384747024.db2.gz ACODSVKAYYGMTE-UHFFFAOYSA-N 0 0 236.271 1.735 50 5 BDBARN Cn1cnnc1Sc1ncccc1[N+](=O)[O-] ZINC000072408202 385155938 /nfs/dbraw/zinc/15/59/38/385155938.db2.gz VRUFWNHZEHYWPI-UHFFFAOYSA-N 0 0 237.244 1.270 50 5 BDBARN Cc1noc(C)c1Cn1cc([N+](=O)[O-])cn1 ZINC000024547758 385509268 /nfs/dbraw/zinc/50/92/68/385509268.db2.gz RPSODSGIRVGXBF-UHFFFAOYSA-N 0 0 222.204 1.444 50 5 BDBARN Nc1ncncc1-c1ccc([N+](=O)[O-])cc1 ZINC000001441828 386831990 /nfs/dbraw/zinc/83/19/90/386831990.db2.gz ILWLKSVMDBARRG-UHFFFAOYSA-N 0 0 216.200 1.634 50 5 BDBARN CC(=O)c1ccc(NC[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000008177601 388402277 /nfs/dbraw/zinc/40/22/77/388402277.db2.gz SDVZHOFOESVVKX-SSDOTTSWSA-N 0 0 238.243 1.590 50 5 BDBARN CCS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000005923801 256779697 /nfs/dbraw/zinc/77/96/97/256779697.db2.gz BYETUEKWASFECB-UHFFFAOYSA-N 0 0 244.272 1.665 50 5 BDBARN Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c(N)c1[N+](=O)[O-] ZINC000095870022 388788659 /nfs/dbraw/zinc/78/86/59/388788659.db2.gz RSUBARQODWIKOQ-UHFFFAOYSA-N 0 0 242.147 1.302 50 5 BDBARN O=Cc1cccc(OCn2cc([N+](=O)[O-])cn2)c1 ZINC000002535222 388843233 /nfs/dbraw/zinc/84/32/33/388843233.db2.gz LPYRULLSPSLYCD-UHFFFAOYSA-N 0 0 247.210 1.640 50 5 BDBARN COC(=O)c1[nH]c2ccccc2c1[N+](=O)[O-] ZINC000096345767 388815812 /nfs/dbraw/zinc/81/58/12/388815812.db2.gz NAYCDJSBGXJJME-UHFFFAOYSA-N 0 0 220.184 1.863 50 5 BDBARN NC(=O)[C@@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000008053545 132318669 /nfs/dbraw/zinc/31/86/69/132318669.db2.gz DVRHRWKWAWAVOL-SECBINFHSA-N 0 0 249.270 1.297 50 5 BDBARN O=[N+]([O-])c1ccc(N2CCSCC2)nc1 ZINC000019640566 132326012 /nfs/dbraw/zinc/32/60/12/132326012.db2.gz SSBPVVRBRDAFOL-UHFFFAOYSA-N 0 0 225.273 1.543 50 5 BDBARN C[C@@H]1CN(c2ncccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000020421131 132331355 /nfs/dbraw/zinc/33/13/55/132331355.db2.gz GFSGRMTXKGSLNZ-DTORHVGOSA-N 0 0 237.259 1.603 50 5 BDBARN Cn1ccc(Nc2ccc([N+](=O)[O-])cn2)n1 ZINC000082413878 487612732 /nfs/dbraw/zinc/61/27/32/487612732.db2.gz JHGHELSRQFTWEP-UHFFFAOYSA-N 0 0 219.204 1.467 50 5 BDBARN CC(C)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000017300523 167088179 /nfs/dbraw/zinc/08/81/79/167088179.db2.gz HVOXVKUENAPOSP-UHFFFAOYSA-N 0 0 223.232 1.315 50 5 BDBARN CC(C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000004313581 167129875 /nfs/dbraw/zinc/12/98/75/167129875.db2.gz YMQDOINNAIAMAP-UHFFFAOYSA-N 0 0 244.272 1.282 50 5 BDBARN CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000113702075 170100426 /nfs/dbraw/zinc/10/04/26/170100426.db2.gz ICMSULXWPCNBEJ-UHFFFAOYSA-N 0 0 212.180 1.484 50 5 BDBARN CCNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000012759931 170101884 /nfs/dbraw/zinc/10/18/84/170101884.db2.gz MSSYMLZZRRKXPZ-UHFFFAOYSA-N 0 0 223.232 1.386 50 5 BDBARN CCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000005456485 170101982 /nfs/dbraw/zinc/10/19/82/170101982.db2.gz NBDKJRNBTBHWNK-UHFFFAOYSA-N 0 0 208.217 1.653 50 5 BDBARN CCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000005591717 170137319 /nfs/dbraw/zinc/13/73/19/170137319.db2.gz XGIBGFQGCQVQBZ-UHFFFAOYSA-N 0 0 244.272 1.201 50 5 BDBARN CCOC(=O)c1[nH]c(C)c([N+](=O)[O-])c1C ZINC000000314811 170286398 /nfs/dbraw/zinc/28/63/98/170286398.db2.gz AZGXAAUDJWAVHF-UHFFFAOYSA-N 0 0 212.205 1.716 50 5 BDBARN CCOC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000000370806 170292693 /nfs/dbraw/zinc/29/26/93/170292693.db2.gz PBYXNPIXRRSBFZ-UHFFFAOYSA-N 0 0 210.189 1.475 50 5 BDBARN CCOC(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000000346099 170296776 /nfs/dbraw/zinc/29/67/76/170296776.db2.gz XGOZJLFMEMBMRT-UHFFFAOYSA-N 0 0 225.200 1.780 50 5 BDBARN CCOC(=O)c1cn2ccc(C)c([N+](=O)[O-])c2n1 ZINC000034361354 170300623 /nfs/dbraw/zinc/30/06/23/170300623.db2.gz XLNJPNHNTLBCKS-UHFFFAOYSA-N 0 0 249.226 1.728 50 5 BDBARN CCOC(=O)c1cnc(C)c([N+](=O)[O-])c1 ZINC000096372372 170301345 /nfs/dbraw/zinc/30/13/45/170301345.db2.gz WQJCHEKAIFDWTN-UHFFFAOYSA-N 0 0 210.189 1.475 50 5 BDBARN CCn1c(=O)onc1-c1ccc([N+](=O)[O-])cc1 ZINC000069536069 172130768 /nfs/dbraw/zinc/13/07/68/172130768.db2.gz IGTBRBNZYBAUPM-UHFFFAOYSA-N 0 0 235.199 1.431 50 5 BDBARN CN(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000070262949 172391199 /nfs/dbraw/zinc/39/11/99/172391199.db2.gz WEVFQXSTVYAREH-UHFFFAOYSA-N 0 0 212.180 1.436 50 5 BDBARN COC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000000080505 173614894 /nfs/dbraw/zinc/61/48/94/173614894.db2.gz ZZVXTAUUUUCLAG-UHFFFAOYSA-N 0 0 211.173 1.147 50 5 BDBARN COC(=O)C[C@@H](C[N+](=O)[O-])c1ccccc1 ZINC000038997708 173624518 /nfs/dbraw/zinc/62/45/18/173624518.db2.gz ZJFQGMLHRHGKEV-JTQLQIEISA-N 0 0 223.228 1.610 50 5 BDBARN COC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000020134081 173641520 /nfs/dbraw/zinc/64/15/20/173641520.db2.gz HAFCSCBORMDMFL-UHFFFAOYSA-N 0 0 225.200 1.319 50 5 BDBARN COC(=O)c1cc2n[nH]cc2c([N+](=O)[O-])c1 ZINC000014983013 173861814 /nfs/dbraw/zinc/86/18/14/173861814.db2.gz OIJKWHSNBQFGHC-UHFFFAOYSA-N 0 0 221.172 1.258 50 5 BDBARN COC(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000001081320 173870973 /nfs/dbraw/zinc/87/09/73/173870973.db2.gz PAYWCKGMOYQZAW-UHFFFAOYSA-N 0 0 239.183 1.168 50 5 BDBARN COCCNC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000009256888 174325308 /nfs/dbraw/zinc/32/53/08/174325308.db2.gz VINHGEYFQKZHOB-UHFFFAOYSA-N 0 0 239.231 1.363 50 5 BDBARN CON(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000008340467 174659229 /nfs/dbraw/zinc/65/92/29/174659229.db2.gz SQMIOPIJBOZJRM-UHFFFAOYSA-N 0 0 210.189 1.228 50 5 BDBARN COc1cc(CC(C)=O)c([N+](=O)[O-])cc1OC ZINC000002518659 174977617 /nfs/dbraw/zinc/97/76/17/174977617.db2.gz BJUAXCDPZFOSMH-UHFFFAOYSA-N 0 0 239.227 1.744 50 5 BDBARN COc1ccc(/C=C/[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002568819 175048151 /nfs/dbraw/zinc/04/81/51/175048151.db2.gz GIVJLYBHFUWMKP-SNAWJCMRSA-N 0 0 224.172 1.851 50 5 biogenic BDBARN COc1ccc(OC)c(/C=C/[N+](=O)[O-])c1 ZINC000000101325 175163490 /nfs/dbraw/zinc/16/34/90/175163490.db2.gz IRRZIWHEPWPPJF-AATRIKPKSA-N 0 0 209.201 1.951 50 5 BDBARN COc1ccc([C@@H](O)C[N+](=O)[O-])cc1OC ZINC000019909511 175181257 /nfs/dbraw/zinc/18/12/57/175181257.db2.gz AOMQIZUQJSVRST-QMMMGPOBSA-N 0 0 227.216 1.014 50 5 BDBARN COc1cccc2c1C(=O)O[C@H]2C[N+](=O)[O-] ZINC000000384415 175301497 /nfs/dbraw/zinc/30/14/97/175301497.db2.gz UIRLSHLUXAPCRI-QMMMGPOBSA-N 0 0 223.184 1.183 50 5 BDBARN CS(=O)(=O)Oc1ccc([N+](=O)[O-])c(F)c1 ZINC000094992617 175434859 /nfs/dbraw/zinc/43/48/59/175434859.db2.gz UXPALWRYCGGBIV-UHFFFAOYSA-N 0 0 235.192 1.072 50 5 BDBARN C[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]([NH3+])C(=O)[O-] ZINC000019898196 176017240 /nfs/dbraw/zinc/01/72/40/176017240.db2.gz UGAGINQCEMIKQG-RCOVLWMOSA-N 0 0 224.216 1.110 50 5 BDBARN C[C@@](O)(CNc1ccc([N+](=O)[O-])nc1)C1CC1 ZINC000095398338 176519449 /nfs/dbraw/zinc/51/94/49/176519449.db2.gz VTUKRZYBUPUSGY-LLVKDONJSA-N 0 0 237.259 1.563 50 5 BDBARN C[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]([NH3+])C(=O)[O-] ZINC000005675186 177035640 /nfs/dbraw/zinc/03/56/40/177035640.db2.gz UGAGINQCEMIKQG-HZGVNTEJSA-N 0 0 224.216 1.110 50 5 BDBARN CCOc1ccc(Cn2cnc([N+](=O)[O-])n2)nc1 ZINC000083203580 487825493 /nfs/dbraw/zinc/82/54/93/487825493.db2.gz UIMDXMGCZUHFFI-UHFFFAOYSA-N 0 0 249.230 1.028 50 5 BDBARN Cc1nc(N2Cc3c[nH]nc3C2)ccc1[N+](=O)[O-] ZINC000521394451 323081861 /nfs/dbraw/zinc/08/18/61/323081861.db2.gz IZWLFUSABONAGD-UHFFFAOYSA-N 0 0 245.242 1.542 50 5 BDBARN O=c1[nH]cccc1-c1ccc([N+](=O)[O-])cc1 ZINC000074938347 398210715 /nfs/dbraw/zinc/21/07/15/398210715.db2.gz OORAHBMLSYDCDV-UHFFFAOYSA-N 0 0 216.196 1.950 50 5 BDBARN Cc1cc2c(=O)c(C=O)coc2c([N+](=O)[O-])c1 ZINC000033495334 178270024 /nfs/dbraw/zinc/27/00/24/178270024.db2.gz SXWLMTKBGJSOBH-UHFFFAOYSA-N 0 0 233.179 1.822 50 5 BDBARN Cc1cc([N+](=O)[O-])c2ccccc2[n+]1[O-] ZINC000001868576 178270554 /nfs/dbraw/zinc/27/05/54/178270554.db2.gz YRPLTHBJMGSMKH-UHFFFAOYSA-N 0 0 204.185 1.690 50 5 BDBARN Cc1cc([N+](=O)[O-])cnc1N(C)CC[C@@H](C)O ZINC000078416734 178274306 /nfs/dbraw/zinc/27/43/06/178274306.db2.gz CACHROVLADCDEY-SECBINFHSA-N 0 0 239.275 1.505 50 5 BDBARN Cc1ccc(C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000005547383 178374711 /nfs/dbraw/zinc/37/47/11/178374711.db2.gz HIWIUNGMXSNCHC-UHFFFAOYSA-N 0 0 208.217 1.605 50 5 BDBARN COc1cc(/C=C\[N+](=O)[O-])ccc1OC(C)=O ZINC000004532493 342748809 /nfs/dbraw/zinc/74/88/09/342748809.db2.gz OTVNMEHTSLGKMY-WAYWQWQTSA-N 0 0 237.211 1.868 50 5 BDBARN O=[N+]([O-])c1ccsc1SCCO ZINC000004361737 342856959 /nfs/dbraw/zinc/85/69/59/342856959.db2.gz FBGFXSJSFIBBFT-UHFFFAOYSA-N 0 0 205.260 1.741 50 5 BDBARN COC(=O)c1cc(N)c(C)c([N+](=O)[O-])c1 ZINC000000367537 398333712 /nfs/dbraw/zinc/33/37/12/398333712.db2.gz NQJNEBQTJXTNJF-UHFFFAOYSA-N 0 0 210.189 1.272 50 5 BDBARN O=[N+]([O-])c1ccc(N2CC[C@@H](O)C2)c(Cl)c1 ZINC000061707401 398343730 /nfs/dbraw/zinc/34/37/30/398343730.db2.gz PTILCUQFZMQOIW-MRVPVSSYSA-N 0 0 242.662 1.819 50 5 BDBARN CC(=O)n1cnc2ccc([N+](=O)[O-])cc21 ZINC000003163438 187245948 /nfs/dbraw/zinc/24/59/48/187245948.db2.gz CQVBKEOMYSZGCE-UHFFFAOYSA-N 0 0 205.173 1.605 50 5 BDBARN O=[N+]([O-])c1ccc(SN2CC2)c([N+](=O)[O-])c1 ZINC000003124416 187246336 /nfs/dbraw/zinc/24/63/36/187246336.db2.gz LFPRNWWCDUFNII-UHFFFAOYSA-N 0 0 241.228 1.826 50 5 BDBARN Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000004660457 343937247 /nfs/dbraw/zinc/93/72/47/343937247.db2.gz ZUDIVQAJPYPUKG-UHFFFAOYSA-N 0 0 221.216 1.069 50 5 BDBARN CN(C)NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000004685183 343958869 /nfs/dbraw/zinc/95/88/69/343958869.db2.gz WRHFVPIHECFQPQ-UHFFFAOYSA-N 0 0 240.288 1.358 50 5 BDBARN O=[N+]([O-])c1cc(Br)ccn1 ZINC000095933444 187288572 /nfs/dbraw/zinc/28/85/72/187288572.db2.gz MCVCQPYYTSNQSG-UHFFFAOYSA-N 0 0 202.995 1.752 50 5 BDBARN Cc1ccc([N+](=O)[O-])cc1N1C(=O)C=CC1=O ZINC000000096800 344328350 /nfs/dbraw/zinc/32/83/50/344328350.db2.gz UNJCZKYOAQGDIQ-UHFFFAOYSA-N 0 0 232.195 1.333 50 5 BDBARN O=C1C=CC(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000000102567 344404819 /nfs/dbraw/zinc/40/48/19/344404819.db2.gz CJENYVWFVWQVPS-UHFFFAOYSA-N 0 0 218.168 1.024 50 5 BDBARN CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000014400967 344486773 /nfs/dbraw/zinc/48/67/73/344486773.db2.gz KOPIJZGJPUGTHU-UHFFFAOYSA-N 0 0 232.037 1.794 50 5 BDBARN O=c1[nH]cc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000000339357 344701825 /nfs/dbraw/zinc/70/18/25/344701825.db2.gz SEHUDHVEXGRFKF-UHFFFAOYSA-N 0 0 206.157 1.543 50 5 BDBARN O=[N+]([O-])c1ccn(Cc2ccccc2F)n1 ZINC000000341181 344709496 /nfs/dbraw/zinc/70/94/96/344709496.db2.gz QEUHPOUUJCOAFQ-UHFFFAOYSA-N 0 0 221.191 1.979 50 5 BDBARN COc1ccc(-c2nc([N+](=O)[O-])n[nH]2)cc1 ZINC000004953981 344854255 /nfs/dbraw/zinc/85/42/55/344854255.db2.gz FSASAERZMXDARJ-UHFFFAOYSA-N 0 0 220.188 1.389 50 5 BDBARN O=[N+]([O-])c1ccc(-n2nnc3ccccc32)nc1 ZINC000013207967 345648664 /nfs/dbraw/zinc/64/86/64/345648664.db2.gz PPIGGSPZOUERAQ-UHFFFAOYSA-N 0 0 241.210 1.724 50 5 BDBARN O=[N+]([O-])C12CC3CC1([N+](=O)[O-])CC(C2)C3 ZINC000034364491 346251859 /nfs/dbraw/zinc/25/18/59/346251859.db2.gz PRFYAZVRFMPMLF-UHFFFAOYSA-N 0 0 212.205 1.241 50 5 BDBARN CCS(=O)(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000000476195 346273162 /nfs/dbraw/zinc/27/31/62/346273162.db2.gz IFXZPFANGGCBEG-UHFFFAOYSA-N 0 0 244.272 1.665 50 5 BDBARN O=[N+]([O-])c1cnn(-c2ccc(F)cc2)c1 ZINC000216722482 350012218 /nfs/dbraw/zinc/01/22/18/350012218.db2.gz UNNJNIXXDITIQR-UHFFFAOYSA-N 0 0 207.164 1.920 50 5 BDBARN O=[N+]([O-])c1cc2c(cc1-n1ccnc1)OCCO2 ZINC000015107588 350941770 /nfs/dbraw/zinc/94/17/70/350941770.db2.gz MNPACLWGEWTYAW-UHFFFAOYSA-N 0 0 247.210 1.552 50 5 BDBARN O=[N+]([O-])c1ccc([C@@H]2OC[C@@H](CO)O2)cc1 ZINC000003074153 187986754 /nfs/dbraw/zinc/98/67/54/187986754.db2.gz IMPGLXDVAYTZLH-NXEZZACHSA-N 0 0 225.200 1.001 50 5 BDBARN COC(=O)c1noc2cc([N+](=O)[O-])ccc21 ZINC000001397302 353347761 /nfs/dbraw/zinc/34/77/61/353347761.db2.gz RDAMDINPNCIMJD-UHFFFAOYSA-N 0 0 222.156 1.523 50 5 BDBARN Cn1cnc([N+](=O)[O-])c1NCc1cccc(O)c1 ZINC000049227840 356389655 /nfs/dbraw/zinc/38/96/55/356389655.db2.gz RFYBPUNCSBIYKW-UHFFFAOYSA-N 0 0 248.242 1.646 50 5 BDBARN NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000000266255 181287981 /nfs/dbraw/zinc/28/79/81/181287981.db2.gz IGRNRTAXLNUASW-UHFFFAOYSA-N 0 0 233.183 1.349 50 5 BDBARN Cc1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000138178517 360346037 /nfs/dbraw/zinc/34/60/37/360346037.db2.gz CZVYKJIYDDKUJR-UHFFFAOYSA-N 0 0 215.230 1.307 50 5 BDBARN Cn1cc(Br)nc1[N+](=O)[O-] ZINC000037594127 364244160 /nfs/dbraw/zinc/24/41/60/364244160.db2.gz JSBYDLKQWOUNMQ-UHFFFAOYSA-N 0 0 205.999 1.091 50 5 BDBARN COC(=O)CCn1cc(Cl)c([N+](=O)[O-])n1 ZINC000012395847 370862820 /nfs/dbraw/zinc/86/28/20/370862820.db2.gz QYRFTDSSXJCEPD-UHFFFAOYSA-N 0 0 233.611 1.008 50 5 BDBARN O=[N+]([O-])c1cccnc1NC[C@@H]1CCCO1 ZINC000020024256 371218114 /nfs/dbraw/zinc/21/81/14/371218114.db2.gz KLRBXKGXINREBS-QMMMGPOBSA-N 0 0 223.232 1.581 50 5 BDBARN O=[N+]([O-])c1ccc(-c2ccnc3ncnn32)cc1 ZINC000022607201 371551120 /nfs/dbraw/zinc/55/11/20/371551120.db2.gz UBJFQLIQSXFCGU-UHFFFAOYSA-N 0 0 241.210 1.700 50 5 BDBARN Nc1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC000034549799 181782980 /nfs/dbraw/zinc/78/29/80/181782980.db2.gz DYSLEQUCBXITJX-UHFFFAOYSA-N 0 0 208.004 1.879 50 5 BDBARN Cc1c([N+](=O)[O-])c(C(=O)NC(C)(C)C)nn1C ZINC000002778721 371655505 /nfs/dbraw/zinc/65/55/05/371655505.db2.gz JAOUZSMWBHRHJE-UHFFFAOYSA-N 0 0 240.263 1.165 50 5 BDBARN O=[N+]([O-])c1ccc2nonc2c1N1CCCC1 ZINC000004093879 372137824 /nfs/dbraw/zinc/13/78/24/372137824.db2.gz UJWOMXHAXQMWPQ-UHFFFAOYSA-N 0 0 234.215 1.731 50 5 BDBARN CN(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004255805 372184869 /nfs/dbraw/zinc/18/48/69/372184869.db2.gz HJFZYZBHIAWDEO-UHFFFAOYSA-N 0 0 211.177 1.569 50 5 BDBARN CONC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004317431 372201934 /nfs/dbraw/zinc/20/19/34/372201934.db2.gz QPBOEKIIFJJVDJ-UHFFFAOYSA-N 0 0 211.177 1.278 50 5 BDBARN O=C(NCC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000007986375 182124205 /nfs/dbraw/zinc/12/42/05/182124205.db2.gz RUDPAFRQWGPSOC-UHFFFAOYSA-N 0 0 248.160 1.887 50 5 BDBARN O=C(NCC1CC1)c1ccc([N+](=O)[O-])o1 ZINC000044231892 182141832 /nfs/dbraw/zinc/14/18/32/182141832.db2.gz RXMCARVWDVZYPT-UHFFFAOYSA-N 0 0 210.189 1.328 50 5 BDBARN O=C(NCc1cccnc1)c1ccc([N+](=O)[O-])o1 ZINC000000066714 182261253 /nfs/dbraw/zinc/26/12/53/182261253.db2.gz OBZHOVWNZIVCCZ-UHFFFAOYSA-N 0 0 247.210 1.513 50 5 BDBARN O=C(Nc1ccc([N+](=O)[O-])cn1)c1cccnc1 ZINC000003879111 182361935 /nfs/dbraw/zinc/36/19/35/182361935.db2.gz OPIPFKZJYHMDPN-UHFFFAOYSA-N 0 0 244.210 1.637 50 5 BDBARN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC1 ZINC000336443508 182650491 /nfs/dbraw/zinc/65/04/91/182650491.db2.gz BTYGIVILVUFMOW-UHFFFAOYSA-N 0 0 224.191 1.580 50 5 BDBARN CCCCOCCn1ccc(=O)c([N+](=O)[O-])c1 ZINC000096468078 168904348 /nfs/dbraw/zinc/90/43/48/168904348.db2.gz TXDZTKIOHYZNEW-UHFFFAOYSA-N 0 0 240.259 1.573 50 5 BDBARN O=[N+]([O-])c1cc(Cl)[n+]([O-])cc1Cl ZINC000090483868 182922597 /nfs/dbraw/zinc/92/25/97/182922597.db2.gz XXLFCBBWDXLUOK-UHFFFAOYSA-N 0 0 208.988 1.535 50 5 BDBARN O=[N+]([O-])c1ccc(C2=CCO2)c([N+](=O)[O-])c1 ZINC000044563940 182929604 /nfs/dbraw/zinc/92/96/04/182929604.db2.gz WSSRQPNYGZPCHD-UHFFFAOYSA-N 0 0 222.156 1.874 50 5 BDBARN O=[N+]([O-])c1ccc2ncnc(NCCCO)c2c1 ZINC000081589088 182943076 /nfs/dbraw/zinc/94/30/76/182943076.db2.gz FHIJNCWVBUYRJP-UHFFFAOYSA-N 0 0 248.242 1.332 50 5 BDBARN O=[N+]([O-])c1cccc(Cl)c1CCO ZINC000000081149 182945211 /nfs/dbraw/zinc/94/52/11/182945211.db2.gz FLKQZNFLWOPRFX-UHFFFAOYSA-N 0 0 201.609 1.783 50 5 BDBARN O=c1c2cc([N+](=O)[O-])ccc2nc2n1CCC2 ZINC000000518621 182988217 /nfs/dbraw/zinc/98/82/17/182988217.db2.gz MGBUVOJNPYIVNJ-UHFFFAOYSA-N 0 0 231.211 1.251 50 5 biogenic BDBARN CCCn1ncc([N+](=O)[O-])c1Br ZINC000095704772 169625258 /nfs/dbraw/zinc/62/52/58/169625258.db2.gz RVMLCXOVQARJRB-UHFFFAOYSA-N 0 0 234.053 1.964 50 5 BDBARN CC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000001562202 383905089 /nfs/dbraw/zinc/90/50/89/383905089.db2.gz WGJQPJOLPLYFJH-UHFFFAOYSA-N 0 0 210.145 1.706 50 5 BDBARN NC(=O)c1cccc2cccc([N+](=O)[O-])c21 ZINC000057353815 383959837 /nfs/dbraw/zinc/95/98/37/383959837.db2.gz WOSBUDYWESXHRR-UHFFFAOYSA-N 0 0 216.196 1.847 50 5 BDBARN COC(=O)c1cc([N+](=O)[O-])c(N)cc1F ZINC000098095420 384040404 /nfs/dbraw/zinc/04/04/04/384040404.db2.gz NTQYZIKTOQINKI-UHFFFAOYSA-N 0 0 214.152 1.103 50 5 BDBARN CC(C)(C)OC(=O)n1cc([N+](=O)[O-])ccc1=O ZINC000097463342 384218548 /nfs/dbraw/zinc/21/85/48/384218548.db2.gz DBTYBWOAVHSVOL-UHFFFAOYSA-N 0 0 240.215 1.540 50 5 BDBARN O=[N+]([O-])CS(=O)(=O)c1ccc(Cl)cc1 ZINC000100026473 384611262 /nfs/dbraw/zinc/61/12/62/384611262.db2.gz XMYAZABHPSHKHB-UHFFFAOYSA-N 0 0 235.648 1.348 50 5 BDBARN C[S@](=N)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000100651964 384649269 /nfs/dbraw/zinc/64/92/69/384649269.db2.gz OSHPSKAPWFEQST-ZDUSSCGKSA-N 0 0 200.219 1.630 50 5 BDBARN CCS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000105520331 384870941 /nfs/dbraw/zinc/87/09/41/384870941.db2.gz QRLVYWVPKPUBJJ-UHFFFAOYSA-N 0 0 229.257 1.530 50 5 BDBARN Nc1nc2cc(Cl)c([N+](=O)[O-])cc2o1 ZINC000071981120 384908496 /nfs/dbraw/zinc/90/84/96/384908496.db2.gz AOHRVJXLCRFILU-UHFFFAOYSA-N 0 0 213.580 1.972 50 5 BDBARN COC(=O)c1cccc(C=O)c1[N+](=O)[O-] ZINC000072233115 385122650 /nfs/dbraw/zinc/12/26/50/385122650.db2.gz NSLOBVGASZUPDO-UHFFFAOYSA-N 0 0 209.157 1.194 50 5 BDBARN COC(=O)c1cc(C)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003161138 385177194 /nfs/dbraw/zinc/17/71/94/385177194.db2.gz ODNYLVYXOHNFOS-UHFFFAOYSA-N 0 0 240.171 1.598 50 5 BDBARN Nc1ncnc(NC2CCCC2)c1[N+](=O)[O-] ZINC000003912513 385936433 /nfs/dbraw/zinc/93/64/33/385936433.db2.gz LSYCSEWHAADANS-UHFFFAOYSA-N 0 0 223.236 1.322 50 5 BDBARN O=[N+]([O-])c1cc(F)ccc1SC[C@@H](O)CO ZINC000086659889 386269313 /nfs/dbraw/zinc/26/93/13/386269313.db2.gz WNOBNUQBJNAUAO-ZETCQYMHSA-N 0 0 247.247 1.179 50 5 BDBARN COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000001591845 387034210 /nfs/dbraw/zinc/03/42/10/387034210.db2.gz NVXKMHUNXMXXDM-QPJJXVBHSA-N 0 0 207.185 1.781 50 5 BDBARN O=CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000006321339 387329534 /nfs/dbraw/zinc/32/95/34/387329534.db2.gz CLROKFGZJKTKOH-UHFFFAOYSA-N 0 0 211.133 1.071 50 5 BDBARN O=CNc1cccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC000006925696 387871130 /nfs/dbraw/zinc/87/11/30/387871130.db2.gz IMYBUSJPBGMOOQ-UHFFFAOYSA-N 0 0 211.133 1.071 50 5 BDBARN Cc1cc(C(=O)Nc2nc[nH]n2)ccc1[N+](=O)[O-] ZINC000018115479 177820461 /nfs/dbraw/zinc/82/04/61/177820461.db2.gz WHQDNDFEPCHKOL-UHFFFAOYSA-N 0 0 247.214 1.274 50 5 BDBARN COC[C@H](O)CNc1ccc([N+](=O)[O-])cc1 ZINC000070590042 388007954 /nfs/dbraw/zinc/00/79/54/388007954.db2.gz ZDNIHHPJWKFYHU-SNVBAGLBSA-N 0 0 226.232 1.014 50 5 BDBARN CCOP(=O)(OCC)[C@@](C)(O)C[N+](=O)[O-] ZINC000003188627 388368273 /nfs/dbraw/zinc/36/82/73/388368273.db2.gz BRPIYNSROJUAQR-SSDOTTSWSA-N 0 0 241.180 1.238 50 5 BDBARN O=[N+]([O-])c1ccccc1N1CC[C@@H](CCO)C1 ZINC000078364980 388680974 /nfs/dbraw/zinc/68/09/74/388680974.db2.gz UHSOUBRWBZJALD-JTQLQIEISA-N 0 0 236.271 1.804 50 5 BDBARN O=[N+]([O-])c1cccnc1OCC1CCOCC1 ZINC000067802479 388701345 /nfs/dbraw/zinc/70/13/45/388701345.db2.gz DELVZEYAKPYHJR-UHFFFAOYSA-N 0 0 238.243 1.795 50 5 BDBARN CC[C@@H](CO)Nc1ccc([N+](=O)[O-])cn1 ZINC000020324391 388764152 /nfs/dbraw/zinc/76/41/52/388764152.db2.gz KBEKTNLLGLGMJM-ZETCQYMHSA-N 0 0 211.221 1.173 50 5 BDBARN COC(=O)Cc1ccc(F)c([N+](=O)[O-])c1 ZINC000095932370 388791372 /nfs/dbraw/zinc/79/13/72/388791372.db2.gz XRTVFSTWEJOKNN-UHFFFAOYSA-N 0 0 213.164 1.449 50 5 BDBARN O=[N+]([O-])c1ccc(N2CCCCC2)cn1 ZINC000004004123 132316030 /nfs/dbraw/zinc/31/60/30/132316030.db2.gz YWBNHAYIHYUOHN-UHFFFAOYSA-N 0 0 207.233 1.980 50 5 BDBARN O=[N+]([O-])c1ccc(N2CCOCC2)c(F)c1 ZINC000004754625 132316998 /nfs/dbraw/zinc/31/69/98/132316998.db2.gz ZEQCFSSBZPZEFJ-UHFFFAOYSA-N 0 0 226.207 1.571 50 5 BDBARN C[C@H]1CN(c2ncccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000020421133 132331361 /nfs/dbraw/zinc/33/13/61/132331361.db2.gz GFSGRMTXKGSLNZ-IUCAKERBSA-N 0 0 237.259 1.603 50 5 BDBARN CC(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003132624 167321540 /nfs/dbraw/zinc/32/15/40/167321540.db2.gz KVSMDNHFSHTGMP-UHFFFAOYSA-N 0 0 229.257 1.777 50 5 BDBARN CCNC(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000037248056 170101973 /nfs/dbraw/zinc/10/19/73/170101973.db2.gz OZFUFLXVRLCAHE-UHFFFAOYSA-N 0 0 212.180 1.484 50 5 BDBARN CCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000000284823 170103036 /nfs/dbraw/zinc/10/30/36/170103036.db2.gz DVDFUYYXNPBAGV-UHFFFAOYSA-N 0 0 208.217 1.653 50 5 BDBARN CCOC(=O)[C@@H](C[N+](=O)[O-])c1ccccc1 ZINC000004760068 170251808 /nfs/dbraw/zinc/25/18/08/170251808.db2.gz HPSXSPNCILFZKH-JTQLQIEISA-N 0 0 223.228 1.610 50 5 BDBARN CCOC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000035333604 170293997 /nfs/dbraw/zinc/29/39/97/170293997.db2.gz FHJSVGYPVQYJIV-UHFFFAOYSA-N 0 0 239.183 1.500 50 5 BDBARN CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N ZINC000040564705 170301805 /nfs/dbraw/zinc/30/18/05/170301805.db2.gz NTNJJLYBWLJZBS-UHFFFAOYSA-N 0 0 245.622 1.402 50 5 BDBARN CN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000005508875 172382717 /nfs/dbraw/zinc/38/27/17/172382717.db2.gz UPFXGZRGZGFYDC-UHFFFAOYSA-N 0 0 209.205 1.688 50 5 BDBARN COC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000001591844 173497503 /nfs/dbraw/zinc/49/75/03/173497503.db2.gz DKQXESBKFCYESZ-AATRIKPKSA-N 0 0 207.185 1.781 50 5 BDBARN COC(=O)C1CN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000090513632 173520774 /nfs/dbraw/zinc/52/07/74/173520774.db2.gz NOKVALHWMPCNDG-UHFFFAOYSA-N 0 0 236.227 1.204 50 5 BDBARN COC(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000077032311 173851981 /nfs/dbraw/zinc/85/19/81/173851981.db2.gz BDRRSVADGVAMQA-UHFFFAOYSA-N 0 0 209.201 1.998 50 5 BDBARN COCC(=O)OCc1ccccc1[N+](=O)[O-] ZINC000060654435 174062621 /nfs/dbraw/zinc/06/26/21/174062621.db2.gz PWFQCMPDDNLOQJ-UHFFFAOYSA-N 0 0 225.200 1.284 50 5 BDBARN CON(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004866472 174659511 /nfs/dbraw/zinc/65/95/11/174659511.db2.gz PBWDDHAYEOGPMA-UHFFFAOYSA-N 0 0 210.189 1.228 50 5 BDBARN COc1ccc(N)c([N+](=O)[O-])c1[N+](=O)[O-] ZINC000004100375 175137396 /nfs/dbraw/zinc/13/73/96/175137396.db2.gz KKIFNGUMEDQAHY-UHFFFAOYSA-N 0 0 213.149 1.094 50 5 BDBARN COc1ccc2oc(N)c([N+](=O)[O-])c2c1 ZINC000004506100 175231350 /nfs/dbraw/zinc/23/13/50/175231350.db2.gz IPVWUKQGCQBNNE-UHFFFAOYSA-N 0 0 208.173 1.932 50 5 BDBARN C[C@H](O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000034569108 177016585 /nfs/dbraw/zinc/01/65/85/177016585.db2.gz UHJMDARCOIYCHL-YFKPBYRVSA-N 0 0 211.173 1.377 50 5 BDBARN C[C@H]1CC(=O)Nc2cc([N+](=O)[O-])ccc2N1 ZINC000003879797 177063006 /nfs/dbraw/zinc/06/30/06/177063006.db2.gz KIXSJWROHBXXPD-LURJTMIESA-N 0 0 221.216 1.737 50 5 BDBARN O=[N+]([O-])c1ccccc1Cn1ccnn1 ZINC000034481087 323197672 /nfs/dbraw/zinc/19/76/72/323197672.db2.gz XCRWSJGCCFNKLD-UHFFFAOYSA-N 0 0 204.189 1.235 50 5 BDBARN CCN1C(=O)COc2cc([N+](=O)[O-])ccc21 ZINC000011691862 535432006 /nfs/dbraw/zinc/43/20/06/535432006.db2.gz MBSPMBIMMKKYMD-UHFFFAOYSA-N 0 0 222.200 1.340 50 5 BDBARN Cc1cc([N+](=O)[O-])nn1C(=O)c1ccccc1F ZINC000000037157 178275344 /nfs/dbraw/zinc/27/53/44/178275344.db2.gz INYGHXGUCFFZOM-UHFFFAOYSA-N 0 0 249.201 1.927 50 5 BDBARN Cc1ccc(-c2nc[nH]n2)cc1[N+](=O)[O-] ZINC000091695789 178338989 /nfs/dbraw/zinc/33/89/89/178338989.db2.gz YGKOOYJKBBADLL-UHFFFAOYSA-N 0 0 204.189 1.688 50 5 BDBARN Cc1ccc(-c2nnn(C)n2)cc1[N+](=O)[O-] ZINC000039389364 178342089 /nfs/dbraw/zinc/34/20/89/178342089.db2.gz BAZLSTGJXBFOBP-UHFFFAOYSA-N 0 0 219.204 1.094 50 5 BDBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000000103316 342674631 /nfs/dbraw/zinc/67/46/31/342674631.db2.gz KAORXJOPNPLLFN-UHFFFAOYSA-N 0 0 220.228 1.831 50 5 BDBARN O=[N+]([O-])c1ccncc1Br ZINC000012969571 342862143 /nfs/dbraw/zinc/86/21/43/342862143.db2.gz CJEWCWSWUUFORD-UHFFFAOYSA-N 0 0 202.995 1.752 50 5 BDBARN C[C@@H](O)CCN(C)c1cccc(F)c1[N+](=O)[O-] ZINC000096429745 398318115 /nfs/dbraw/zinc/31/81/15/398318115.db2.gz ISMBZJIVHVIZOQ-MRVPVSSYSA-N 0 0 242.250 1.941 50 5 BDBARN Cc1ccc(NC(=O)[C@H]2CC2[N+](=O)[O-])cc1 ZINC000032931975 342920516 /nfs/dbraw/zinc/92/05/16/342920516.db2.gz JPZQCAVWBQZOSO-VHSXEESVSA-N 0 0 220.228 1.599 50 5 BDBARN CCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000000369459 398333725 /nfs/dbraw/zinc/33/37/25/398333725.db2.gz FFBUYJAHSNPQDH-UHFFFAOYSA-N 0 0 220.184 1.211 50 5 BDBARN O=[N+]([O-])c1ccc(N2CC[C@H](O)C2)c(Cl)c1 ZINC000061707400 398343689 /nfs/dbraw/zinc/34/36/89/398343689.db2.gz PTILCUQFZMQOIW-QMMMGPOBSA-N 0 0 242.662 1.819 50 5 BDBARN COc1cc(C)c(NC(C)=O)cc1[N+](=O)[O-] ZINC000042684325 362017788 /nfs/dbraw/zinc/01/77/88/362017788.db2.gz QYVWZBZKJRZMME-UHFFFAOYSA-N 0 0 224.216 1.870 50 5 BDBARN O=[N+]([O-])c1cccc([C@H]2NCCS2)c1 ZINC000025630247 343093845 /nfs/dbraw/zinc/09/38/45/343093845.db2.gz NIWRAQIFCGUNIT-VIFPVBQESA-N 0 0 210.258 1.930 50 5 BDBARN COc1cc(F)c(C(C)=O)cc1[N+](=O)[O-] ZINC000143648180 343126603 /nfs/dbraw/zinc/12/66/03/343126603.db2.gz QLWXNZRBIDSXST-UHFFFAOYSA-N 0 0 213.164 1.945 50 5 BDBARN O=[N+]([O-])c1ccc([C@@H]2OCOC[C@H]2O)cc1 ZINC000000031379 187244042 /nfs/dbraw/zinc/24/40/42/187244042.db2.gz JEAGEBJAKVKMBE-ZJUUUORDSA-N 0 0 225.200 1.001 50 5 BDBARN COc1cc([O-])c(C(C)=O)cc1[N+](=O)[O-] ZINC000000157774 187244265 /nfs/dbraw/zinc/24/42/65/187244265.db2.gz UGMBXUXKKCTLHR-UHFFFAOYSA-N 0 0 211.173 1.512 50 5 BDBARN CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000003898578 187246652 /nfs/dbraw/zinc/24/66/52/187246652.db2.gz QGKTYGXOBZLUPZ-UHFFFAOYSA-N 0 0 238.199 1.324 50 5 BDBARN C[C@@H]1CO[C@@H](c2cccc([N+](=O)[O-])c2)N1 ZINC000020412917 187254302 /nfs/dbraw/zinc/25/43/02/187254302.db2.gz BPDUIEUBOUBPNB-XCBNKYQSSA-N 0 0 208.217 1.602 50 5 BDBARN O=[N+]([O-])c1ccc(-n2ccnc2)c(F)c1 ZINC000004632300 343717940 /nfs/dbraw/zinc/71/79/40/343717940.db2.gz SPRGMIFFQVXJSZ-UHFFFAOYSA-N 0 0 207.164 1.920 50 5 BDBARN Cc1nn(C)c(/C=C/N(C)C)c1[N+](=O)[O-] ZINC000052517882 187271196 /nfs/dbraw/zinc/27/11/96/187271196.db2.gz QPYNTAAQSHSTDN-AATRIKPKSA-N 0 0 210.237 1.169 50 5 BDBARN O=[N+]([O-])c1ccc(CN2CCC(O)CC2)s1 ZINC000000040763 344062428 /nfs/dbraw/zinc/06/24/28/344062428.db2.gz SDBZSKZXHJZHPN-UHFFFAOYSA-N 0 0 242.300 1.613 50 5 BDBARN COC(=O)C[C@H](C[N+](=O)[O-])c1ccccc1 ZINC000038997709 344195832 /nfs/dbraw/zinc/19/58/32/344195832.db2.gz ZJFQGMLHRHGKEV-SNVBAGLBSA-N 0 0 223.228 1.610 50 5 BDBARN Cn1cnc(NCc2ccccc2)c1[N+](=O)[O-] ZINC000004812820 344270434 /nfs/dbraw/zinc/27/04/34/344270434.db2.gz MIZWNLQEGHEAEO-UHFFFAOYSA-N 0 0 232.243 1.940 50 5 BDBARN CC(C)CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000000103208 344405076 /nfs/dbraw/zinc/40/50/76/344405076.db2.gz YCQLFKGHOHITGK-UHFFFAOYSA-N 0 0 222.244 1.981 50 5 BDBARN O=C1CC[C@@H]([N+](=O)[O-])[C@@H](C2CCCCC2)N1 ZINC000000100968 344405140 /nfs/dbraw/zinc/40/51/40/344405140.db2.gz FZTTVMXAWJJCSB-MWLCHTKSSA-N 0 0 226.276 1.491 50 5 BDBARN COC(=O)[C@@H]1O[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000012336838 344495803 /nfs/dbraw/zinc/49/58/03/344495803.db2.gz MVYNAWKGJNUDJT-RKDXNWHRSA-N 0 0 223.184 1.208 50 5 BDBARN Nc1nc(-c2cccc([N+](=O)[O-])c2)ns1 ZINC000012336610 344495870 /nfs/dbraw/zinc/49/58/70/344495870.db2.gz BCMGBDCJXLAHBJ-UHFFFAOYSA-N 0 0 222.229 1.696 50 5 BDBARN O=C1CSc2ccc([N+](=O)[O-])cc2N1 ZINC000000170587 344592310 /nfs/dbraw/zinc/59/23/10/344592310.db2.gz BALSKAVZBPPKCS-UHFFFAOYSA-N 0 0 210.214 1.639 50 5 BDBARN O=c1ccc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000000225088 344646213 /nfs/dbraw/zinc/64/62/13/344646213.db2.gz SXNIWMKWUKSORG-UHFFFAOYSA-N 0 0 218.168 1.610 50 5 BDBARN CCN1CC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000189883335 345967788 /nfs/dbraw/zinc/96/77/88/345967788.db2.gz YGSWEFAPOPNQPA-NSHDSACASA-N 0 0 235.243 1.045 50 5 BDBARN CC1(C)CN(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000005303190 346183172 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/nfs/dbraw/zinc/61/89/09/352618909.db2.gz PZVGFZDQRWMZMC-MRVPVSSYSA-N 0 0 247.254 1.936 50 5 BDBARN Nc1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000015443378 352954029 /nfs/dbraw/zinc/95/40/29/352954029.db2.gz IDOBTERZRKDEFW-UHFFFAOYSA-N 0 0 207.233 1.777 50 5 BDBARN C/C(=C\S(=O)(=O)c1ccc(C)cc1)[N+](=O)[O-] ZINC000035152649 355856978 /nfs/dbraw/zinc/85/69/78/355856978.db2.gz SKHTWSCOKAXOFM-VQHVLOKHSA-N 0 0 241.268 1.907 50 5 BDBARN C[C@H]1NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000035149639 355857352 /nfs/dbraw/zinc/85/73/52/355857352.db2.gz JVZVPERQYBCVHO-ZCFIWIBFSA-N 0 0 235.199 1.040 50 5 BDBARN O=Cc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000001526650 356464194 /nfs/dbraw/zinc/46/41/94/356464194.db2.gz BOUDHYSDNNTOQD-UHFFFAOYSA-N 0 0 202.169 1.956 50 5 BDBARN COc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000001599069 356983946 /nfs/dbraw/zinc/98/39/46/356983946.db2.gz XCHBHMOBNNBYAX-UHFFFAOYSA-N 0 0 212.161 1.820 50 5 BDBARN NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000005568040 181297531 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/nfs/dbraw/zinc/99/80/47/182998047.db2.gz AFTJTAIZFQQYIN-UHFFFAOYSA-N 0 0 217.184 1.345 50 5 BDBARN O=[N+]([O-])c1ccc(-c2ncc(CO)o2)cc1 ZINC000068590591 384002177 /nfs/dbraw/zinc/00/21/77/384002177.db2.gz FASWZHQOPDYKJG-UHFFFAOYSA-N 0 0 220.184 1.742 50 5 BDBARN CCONC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000022874493 384248470 /nfs/dbraw/zinc/24/84/70/384248470.db2.gz AOCNTJLKQDPXNU-UHFFFAOYSA-N 0 0 244.634 1.930 50 5 BDBARN O=CNc1cc([N+](=O)[O-])ccc1Cl ZINC000004545675 384396608 /nfs/dbraw/zinc/39/66/08/384396608.db2.gz CRCYQFWNUVRVCO-UHFFFAOYSA-N 0 0 200.581 1.817 50 5 BDBARN CCCCNc1ccc([N+](=O)[O-])cc1C(N)=O ZINC000005065273 384418189 /nfs/dbraw/zinc/41/81/89/384418189.db2.gz BVGCIFRWLCEPDS-UHFFFAOYSA-N 0 0 237.259 1.906 50 5 BDBARN COC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000000056579 384444743 /nfs/dbraw/zinc/44/47/43/384444743.db2.gz GGTSJKFPGKFLCZ-UHFFFAOYSA-N 0 0 239.183 1.168 50 5 BDBARN O=C1c2cc([N+](=O)[O-])ccc2SC2=NCCN21 ZINC000000055513 384446561 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/nfs/dbraw/zinc/27/09/84/178270984.db2.gz TVIXIDJRNIVCQZ-UHFFFAOYSA-N 0 0 232.195 1.333 50 5 BDBARN CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000000368873 342685096 /nfs/dbraw/zinc/68/50/96/342685096.db2.gz RLXSSISTKOLICZ-UHFFFAOYSA-N 0 0 206.201 1.504 50 5 BDBARN COc1cc(/C=C/[N+](=O)[O-])cc2c1OCO2 ZINC000002519290 342722188 /nfs/dbraw/zinc/72/21/88/342722188.db2.gz XMXLXUDKGGRTAW-NSCUHMNNSA-N 0 0 223.184 1.671 50 5 BDBARN O=[N+]([O-])c1cc(CO)ccc1N1CCCC1 ZINC000004336136 342838989 /nfs/dbraw/zinc/83/89/89/342838989.db2.gz LHEPSAPNTLYTOW-UHFFFAOYSA-N 0 0 222.244 1.687 50 5 BDBARN O=[N+]([O-])c1ccc(N2CCCC2)c(CO)c1 ZINC000004336139 342839031 /nfs/dbraw/zinc/83/90/31/342839031.db2.gz VKAPZEAZRQDVIK-UHFFFAOYSA-N 0 0 222.244 1.687 50 5 BDBARN O=C1COc2cc([N+](=O)[O-])c(Cl)cc2N1 ZINC000004349949 342853162 /nfs/dbraw/zinc/85/31/62/342853162.db2.gz XTFDVLNZVNSPIA-UHFFFAOYSA-N 0 0 228.591 1.579 50 5 BDBARN CC(=O)COC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000003027947 187246062 /nfs/dbraw/zinc/24/60/62/187246062.db2.gz GVHIFSIYBZUQMS-UHFFFAOYSA-N 0 0 237.211 1.270 50 5 BDBARN CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000003961529 187247302 /nfs/dbraw/zinc/24/73/02/187247302.db2.gz KMVAFZCEPQXJQP-UHFFFAOYSA-N 0 0 224.216 1.952 50 5 BDBARN O=[N+]([O-])c1ncccc1I ZINC000021982002 187253790 /nfs/dbraw/zinc/25/37/90/187253790.db2.gz LOKURQBFRJDSOB-UHFFFAOYSA-N 0 0 249.995 1.594 50 5 BDBARN COC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000035333501 187258045 /nfs/dbraw/zinc/25/80/45/187258045.db2.gz AHAKPCUKFZCCBV-UHFFFAOYSA-N 0 0 247.153 1.983 50 5 BDBARN CC(C)(C)[C@@H](CO)Nc1ncccc1[N+](=O)[O-] ZINC000078821675 187262443 /nfs/dbraw/zinc/26/24/43/187262443.db2.gz PVGPLBNWWYNIDM-SECBINFHSA-N 0 0 239.275 1.809 50 5 BDBARN O=C1CC[C@H]([N+](=O)[O-])[C@@H](c2ccccc2F)N1 ZINC000000090285 344328557 /nfs/dbraw/zinc/32/85/57/344328557.db2.gz QGDNPJMOWINWST-GXSJLCMTSA-N 0 0 238.218 1.422 50 5 BDBARN O=C1CC[C@H]([N+](=O)[O-])[C@H](C2CCCCC2)N1 ZINC000000100964 344404868 /nfs/dbraw/zinc/40/48/68/344404868.db2.gz FZTTVMXAWJJCSB-ONGXEEELSA-N 0 0 226.276 1.491 50 5 BDBARN Cc1sc2c(c1[N+](=O)[O-])C(=O)NCCC2 ZINC000000199207 344614192 /nfs/dbraw/zinc/61/41/92/344614192.db2.gz OLPNQHLGWPEEME-UHFFFAOYSA-N 0 0 226.257 1.641 50 5 BDBARN Nc1ncc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000000300137 344683197 /nfs/dbraw/zinc/68/31/97/344683197.db2.gz OOGXXKVDQXBTEZ-UHFFFAOYSA-N 0 0 216.200 1.634 50 5 BDBARN Cn1cnc([N+](=O)[O-])c1NCc1ccccn1 ZINC000004869579 344750324 /nfs/dbraw/zinc/75/03/24/344750324.db2.gz OXOYTMYVROSHJR-UHFFFAOYSA-N 0 0 233.231 1.335 50 5 BDBARN Cc1ccc(N2C(=O)C=CC2=O)c([N+](=O)[O-])c1 ZINC000003885882 178710866 /nfs/dbraw/zinc/71/08/66/178710866.db2.gz BHSSXQLSMUDQIV-UHFFFAOYSA-N 0 0 232.195 1.333 50 5 BDBARN Cn1cnc([N+](=O)[O-])c1Nc1ccc(O)cc1 ZINC000004035888 352609571 /nfs/dbraw/zinc/60/95/71/352609571.db2.gz MTKYJDFQIRZBSQ-UHFFFAOYSA-N 0 0 234.215 1.778 50 5 BDBARN O=[N+]([O-])c1cnccc1-n1nnc2ccccc21 ZINC000012942874 356754369 /nfs/dbraw/zinc/75/43/69/356754369.db2.gz FPSSUUZYVJXKOZ-UHFFFAOYSA-N 0 0 241.210 1.724 50 5 BDBARN Cc1cc(=O)n(C)c2ccc([N+](=O)[O-])cc12 ZINC000001567056 356954574 /nfs/dbraw/zinc/95/45/74/356954574.db2.gz LJCFYZOIYFEDNQ-UHFFFAOYSA-N 0 0 218.212 1.755 50 5 BDBARN CCOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000001693341 357154367 /nfs/dbraw/zinc/15/43/67/357154367.db2.gz YSOKMOXAGMIZFZ-UHFFFAOYSA-N 0 0 212.161 1.902 50 5 in-vitro BDBARN NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000004701024 181292344 /nfs/dbraw/zinc/29/23/44/181292344.db2.gz VFGPKYSTQBOMQU-UHFFFAOYSA-N 0 0 235.243 1.294 50 5 BDBARN NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000098213532 181293113 /nfs/dbraw/zinc/29/31/13/181293113.db2.gz WQDHNRSSNZHLHF-UHFFFAOYSA-N 0 0 245.032 1.456 50 5 BDBARN CN1C(=S)N=NC1c1cccc([N+](=O)[O-])c1 ZINC000006557191 360072295 /nfs/dbraw/zinc/07/22/95/360072295.db2.gz CLCZRCKREKMEIK-UHFFFAOYSA-N 0 0 236.256 1.679 50 5 BDBARN O=c1ccc(-c2ccccc2[N+](=O)[O-])n[nH]1 ZINC000036168295 360690841 /nfs/dbraw/zinc/69/08/41/360690841.db2.gz PPOOKRDNXQWOFM-UHFFFAOYSA-N 0 0 217.184 1.345 50 5 BDBARN O=[N+]([O-])c1cc(F)ccc1-n1cccn1 ZINC000012398034 370865636 /nfs/dbraw/zinc/86/56/36/370865636.db2.gz GPLAVCBFQLLNDD-UHFFFAOYSA-N 0 0 207.164 1.920 50 5 BDBARN COC(=O)c1cc2cn[nH]c2c([N+](=O)[O-])c1 ZINC000096035889 368338827 /nfs/dbraw/zinc/33/88/27/368338827.db2.gz VVTDUYFVOYHADF-UHFFFAOYSA-N 0 0 221.172 1.258 50 5 BDBARN O=[N+]([O-])c1ccc(Cn2cncn2)cc1 ZINC000002513725 371145421 /nfs/dbraw/zinc/14/54/21/371145421.db2.gz NVRYCUYVBBCXHT-UHFFFAOYSA-N 0 0 204.189 1.235 50 5 BDBARN O=[N+]([O-])c1cccnc1NCc1ccccn1 ZINC000020019290 371218349 /nfs/dbraw/zinc/21/83/49/371218349.db2.gz ONKFTKZSASNPJY-UHFFFAOYSA-N 0 0 230.227 1.997 50 5 BDBARN O=[N+]([O-])c1cccnc1NCc1cccnc1 ZINC000020135289 371233599 /nfs/dbraw/zinc/23/35/99/371233599.db2.gz CUHDKFXWPRDELO-UHFFFAOYSA-N 0 0 230.227 1.997 50 5 BDBARN Nc1n[nH]c2c1c(Cl)ccc2[N+](=O)[O-] ZINC000040564645 181775103 /nfs/dbraw/zinc/77/51/03/181775103.db2.gz IUSPKTIVYGCXMZ-UHFFFAOYSA-N 0 0 212.596 1.707 50 5 BDBARN Nc1nc(NC2CCCCC2)ncc1[N+](=O)[O-] ZINC000004822314 181787300 /nfs/dbraw/zinc/78/73/00/181787300.db2.gz HBCSXHJLFASOIQ-UHFFFAOYSA-N 0 0 237.263 1.712 50 5 BDBARN Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000003852567 372079154 /nfs/dbraw/zinc/07/91/54/372079154.db2.gz ZCWBZRBJSPWUPG-UHFFFAOYSA-N 0 0 217.022 1.940 50 5 BDBARN CC(=[NH2+])c1c([O-])c2cc([N+](=O)[O-])ccc2oc1=O ZINC000004130777 372150241 /nfs/dbraw/zinc/15/02/41/372150241.db2.gz ZHAYSTCRNULHMW-UHFFFAOYSA-N 0 0 248.194 1.795 50 5 biogenic BDBARN Cc1c(CO)cc([N+](=O)[O-])c(Cl)c1[N+](=O)[O-] ZINC000007989021 372205133 /nfs/dbraw/zinc/20/51/33/372205133.db2.gz SJNNZMBYMXBMSS-UHFFFAOYSA-N 0 0 246.606 1.957 50 5 BDBARN O=C(Cn1cnc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000005286192 182073171 /nfs/dbraw/zinc/07/31/71/182073171.db2.gz LPTJDEIDQDLUGO-UHFFFAOYSA-N 0 0 249.201 1.813 50 5 BDBARN O=C(NC1CC1)c1cccc([N+](=O)[O-])c1F ZINC000261493845 182100954 /nfs/dbraw/zinc/10/09/54/182100954.db2.gz KNBYPEXWZQOWSG-UHFFFAOYSA-N 0 0 224.191 1.626 50 5 BDBARN O=C(NC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000000452073 182101232 /nfs/dbraw/zinc/10/12/32/182101232.db2.gz BAUAOOIIPHFRKR-UHFFFAOYSA-N 0 0 206.201 1.487 50 5 BDBARN O=C(NCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000034582694 182124753 /nfs/dbraw/zinc/12/47/53/182124753.db2.gz LNOQWKNOCVOCDX-UHFFFAOYSA-N 0 0 248.160 1.887 50 5 BDBARN CONC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000010382673 374291436 /nfs/dbraw/zinc/29/14/36/374291436.db2.gz HFZSAFPAPDKKIX-UHFFFAOYSA-N 0 0 211.177 1.278 50 5 BDBARN O=C1CCC(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000000439880 182722868 /nfs/dbraw/zinc/72/28/68/182722868.db2.gz PPYFJTUOESMJPP-UHFFFAOYSA-N 0 0 220.184 1.248 50 5 BDBARN O=Cc1ccc(N2CC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000169725247 182867771 /nfs/dbraw/zinc/86/77/71/182867771.db2.gz JWKMTANSLPVXDD-UHFFFAOYSA-N 0 0 242.181 1.863 50 5 BDBARN O=[N+]([O-])C1COC2(CCCCC2)OC1 ZINC000038235321 182918975 /nfs/dbraw/zinc/91/89/75/182918975.db2.gz CMWZTDZBIWIWDH-UHFFFAOYSA-N 0 0 201.222 1.339 50 5 BDBARN O=[N+]([O-])c1ccc(-c2noc(-c3ccno3)n2)o1 ZINC000000078518 182927929 /nfs/dbraw/zinc/92/79/29/182927929.db2.gz VSZVAGCJFVDCKZ-UHFFFAOYSA-N 0 0 248.154 1.893 50 5 BDBARN CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000006053308 169272758 /nfs/dbraw/zinc/27/27/58/169272758.db2.gz FTYJDBDXQLPKBG-UHFFFAOYSA-N 0 0 244.272 1.283 50 5 BDBARN CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000095495682 169611530 /nfs/dbraw/zinc/61/15/30/169611530.db2.gz ISQRICLAHYLKQY-UHFFFAOYSA-N 0 0 222.200 1.913 50 5 BDBARN COC[C@@H](O)CNc1ccccc1[N+](=O)[O-] ZINC000071909628 384159838 /nfs/dbraw/zinc/15/98/38/384159838.db2.gz GJKLHYGDIDKCEB-QMMMGPOBSA-N 0 0 226.232 1.014 50 5 BDBARN CN(c1ncccc1[N+](=O)[O-])C1CCC1 ZINC000071924268 384319536 /nfs/dbraw/zinc/31/95/36/384319536.db2.gz VCJXQYKJWBTHHJ-UHFFFAOYSA-N 0 0 207.233 1.979 50 5 BDBARN CNc1ccc(NC(C)=O)cc1[N+](=O)[O-] ZINC000004998846 384353111 /nfs/dbraw/zinc/35/31/11/384353111.db2.gz BXIXZHPXMOMZJI-UHFFFAOYSA-N 0 0 209.205 1.595 50 5 BDBARN COC(CNc1cc(F)ccc1[N+](=O)[O-])OC ZINC000148959960 384533031 /nfs/dbraw/zinc/53/30/31/384533031.db2.gz LMKGBQROLRNCLO-UHFFFAOYSA-N 0 0 244.222 1.765 50 5 BDBARN Cn1nc([N+](=O)[O-])cc1COCC(F)(F)F ZINC000072209666 385058475 /nfs/dbraw/zinc/05/84/75/385058475.db2.gz IJGSCKWAPDYYDI-UHFFFAOYSA-N 0 0 239.153 1.407 50 5 BDBARN Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000052708770 385829556 /nfs/dbraw/zinc/82/95/56/385829556.db2.gz FOFQABCKMXDLGR-UHFFFAOYSA-N 0 0 206.161 1.227 50 5 BDBARN COC(=O)c1cc([N+](=O)[O-])c(C)cc1F ZINC000087331515 386136854 /nfs/dbraw/zinc/13/68/54/386136854.db2.gz GBECACDDVVYBHV-UHFFFAOYSA-N 0 0 213.164 1.829 50 5 BDBARN Cc1c[nH]c(CNc2ncc([N+](=O)[O-])cc2C)n1 ZINC000585132792 386680821 /nfs/dbraw/zinc/68/08/21/386680821.db2.gz WFXZVVRVHBQMFI-UHFFFAOYSA-N 0 0 247.258 1.942 50 5 BDBARN Cc1nnc(NCc2ccc([N+](=O)[O-])o2)s1 ZINC000075283122 387537094 /nfs/dbraw/zinc/53/70/94/387537094.db2.gz URPYZLNSCPLBOQ-UHFFFAOYSA-N 0 0 240.244 1.960 50 5 BDBARN COC(=O)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000006658077 387593539 /nfs/dbraw/zinc/59/35/39/387593539.db2.gz SVYATAVBYMWSBG-UHFFFAOYSA-N 0 0 248.194 1.432 50 5 BDBARN CCc1cc(C(=O)OC)c(OC)c([N+](=O)[O-])c1 ZINC000057339142 388357400 /nfs/dbraw/zinc/35/74/00/388357400.db2.gz ITJJNIPFNXBNHR-UHFFFAOYSA-N 0 0 239.227 1.952 50 5 BDBARN O=[N+]([O-])c1ccc(NCC2(O)CCC2)nc1 ZINC000078601572 388682490 /nfs/dbraw/zinc/68/24/90/388682490.db2.gz KJTUYPYKMRLRGP-UHFFFAOYSA-N 0 0 223.232 1.317 50 5 BDBARN O=Cc1ccc(N2CCOCC2)cc1[N+](=O)[O-] ZINC000095081359 388757491 /nfs/dbraw/zinc/75/74/91/388757491.db2.gz DXCHDWUUUUEPKB-UHFFFAOYSA-N 0 0 236.227 1.244 50 5 BDBARN O=[N+]([O-])c1ccc(OCC2CCOCC2)nc1 ZINC000067802471 388700503 /nfs/dbraw/zinc/70/05/03/388700503.db2.gz NHPXNFSDLOGHPX-UHFFFAOYSA-N 0 0 238.243 1.795 50 5 BDBARN O=[N+]([O-])c1ccc(OC2CCOCC2)nc1 ZINC000067802467 388701105 /nfs/dbraw/zinc/70/11/05/388701105.db2.gz HQWWLSRDRDCTLE-UHFFFAOYSA-N 0 0 224.216 1.548 50 5 BDBARN O=Cc1cccc(OCn2ccc([N+](=O)[O-])n2)c1 ZINC000002535204 388843144 /nfs/dbraw/zinc/84/31/44/388843144.db2.gz RCBARHPBDZXSAJ-UHFFFAOYSA-N 0 0 247.210 1.640 50 5 BDBARN Cn1ccccc1=Nc1cc([N+](=O)[O-])ccc1N ZINC000334160112 388823108 /nfs/dbraw/zinc/82/31/08/388823108.db2.gz GMMPSSFBTFPSET-UHFFFAOYSA-N 0 0 244.254 1.748 50 5 BDBARN O=[N+]([O-])c1ccccc1N1CCOCC1 ZINC000004299807 132316454 /nfs/dbraw/zinc/31/64/54/132316454.db2.gz WABXKOMDIQWGKF-UHFFFAOYSA-N 0 0 208.217 1.431 50 5 BDBARN C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)CCO1 ZINC000022195785 132332596 /nfs/dbraw/zinc/33/25/96/132332596.db2.gz ZSGFGNKYMISDCM-MRVPVSSYSA-N 0 0 223.232 1.215 50 5 BDBARN Nc1cc(N2CCOCC2)ccc1[N+](=O)[O-] ZINC000003877849 132315652 /nfs/dbraw/zinc/31/56/52/132315652.db2.gz HBBXESCZZLQWHM-UHFFFAOYSA-N 0 0 223.232 1.014 50 5 BDBARN O=[N+]([O-])c1cccnc1N1CCSCC1 ZINC000020413154 132331398 /nfs/dbraw/zinc/33/13/98/132331398.db2.gz SWNYGIWPDOFXMA-UHFFFAOYSA-N 0 0 225.273 1.543 50 5 BDBARN Nc1cc(N2CCSCC2)ccc1[N+](=O)[O-] ZINC000034017527 132336454 /nfs/dbraw/zinc/33/64/54/132336454.db2.gz ULKCUKDARNAGSB-UHFFFAOYSA-N 0 0 239.300 1.730 50 5 BDBARN C[C@H]1CCCCN1c1ccc([N+](=O)[O-])c(N)n1 ZINC000167771470 132445132 /nfs/dbraw/zinc/44/51/32/132445132.db2.gz FSUOOFYAEILBJK-QMMMGPOBSA-N 0 0 236.275 1.951 50 5 BDBARN CC1=N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)O1 ZINC000000129264 168132865 /nfs/dbraw/zinc/13/28/65/168132865.db2.gz ABNNCLKVUMXLSZ-UXBLZVDNSA-N 0 0 232.195 1.911 50 5 BDBARN CC1=N/C(=C/c2ccccc2[N+](=O)[O-])C(=O)O1 ZINC000012547145 168133040 /nfs/dbraw/zinc/13/30/40/168133040.db2.gz KBBINJZIGXCCNW-RMKNXTFCSA-N 0 0 232.195 1.911 50 5 BDBARN CCOC(=O)CCCCn1cnc([N+](=O)[O-])c1 ZINC000096416330 170201158 /nfs/dbraw/zinc/20/11/58/170201158.db2.gz DNJOVAXHZVWEIA-UHFFFAOYSA-N 0 0 241.247 1.525 50 5 BDBARN CCOC(=O)Cn1nc([N+](=O)[O-])c(Cl)c1C ZINC000000126527 170237766 /nfs/dbraw/zinc/23/77/66/170237766.db2.gz KEZJJHIAFAKMCZ-UHFFFAOYSA-N 0 0 247.638 1.316 50 5 BDBARN CCOC(=O)c1cc([N+](=O)[O-])sc1N ZINC000004176834 170293173 /nfs/dbraw/zinc/29/31/73/170293173.db2.gz UXDKVBJDZDRIKL-UHFFFAOYSA-N 0 0 216.218 1.415 50 5 BDBARN CCOC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000015446172 170293224 /nfs/dbraw/zinc/29/32/24/170293224.db2.gz LLMJDYSVAYKBJC-UHFFFAOYSA-N 0 0 225.200 1.780 50 5 BDBARN CCONC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000009724894 170468817 /nfs/dbraw/zinc/46/88/17/170468817.db2.gz CNVSVHHBDGPIPK-UHFFFAOYSA-N 0 0 224.216 1.585 50 5 BDBARN CN(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001640871 172389415 /nfs/dbraw/zinc/38/94/15/172389415.db2.gz RIOXTSMUEXTUSK-UHFFFAOYSA-N 0 0 228.635 1.950 50 5 BDBARN CN(c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C)C1=O ZINC000075053436 173119235 /nfs/dbraw/zinc/11/92/35/173119235.db2.gz GQDFIJVRICMVOT-LLVKDONJSA-N 0 0 249.270 1.262 50 5 BDBARN CNC(=O)CNc1ccc([N+](=O)[O-])cc1Cl ZINC000009512102 173278981 /nfs/dbraw/zinc/27/89/81/173278981.db2.gz KTYJRZQTUPHHAI-UHFFFAOYSA-N 0 0 243.650 1.406 50 5 BDBARN COC(=O)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC000000987859 173906296 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NNPGXYAKOPSUAI-NXEZZACHSA-N 0 0 222.200 1.076 50 5 BDBARN CC(C)(C(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000071773985 384682980 /nfs/dbraw/zinc/68/29/80/384682980.db2.gz OTSWCWRXBCHWAE-UHFFFAOYSA-N 0 0 208.217 1.358 50 5 BDBARN Nc1cc(C(F)(F)F)c([N+](=O)[O-])cn1 ZINC000146432407 384797817 /nfs/dbraw/zinc/79/78/17/384797817.db2.gz WVKWPMZRKCPVKN-UHFFFAOYSA-N 0 0 207.111 1.591 50 5 BDBARN O=[N+]([O-])c1cnn(COc2ccccc2F)c1 ZINC000072334139 384979027 /nfs/dbraw/zinc/97/90/27/384979027.db2.gz PGVYKDAOXVPSBT-UHFFFAOYSA-N 0 0 237.190 1.967 50 5 BDBARN Cc1cn(CC(F)(F)F)nc1[N+](=O)[O-] ZINC000072334108 384980434 /nfs/dbraw/zinc/98/04/34/384980434.db2.gz ISQYAAMEDUWHSP-UHFFFAOYSA-N 0 0 209.127 1.662 50 5 BDBARN O=C1NC[C@@H](COc2ccc([N+](=O)[O-])cc2)O1 ZINC000000507179 385049550 /nfs/dbraw/zinc/04/95/50/385049550.db2.gz MYOPNYINKURZDA-VIFPVBQESA-N 0 0 238.199 1.082 50 5 BDBARN COCC1CN(c2nccc(C)c2[N+](=O)[O-])C1 ZINC000585092288 386657349 /nfs/dbraw/zinc/65/73/49/386657349.db2.gz NOGNFVPIHLSRNX-UHFFFAOYSA-N 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1.423 50 5 BDBARN O=[N+]([O-])c1cc(F)ccc1-n1cncn1 ZINC000070163662 388433288 /nfs/dbraw/zinc/43/32/88/388433288.db2.gz QKZILTYNLOHILE-UHFFFAOYSA-N 0 0 208.152 1.315 50 5 BDBARN Cn1cnc([N+](=O)[O-])c1N1CCCSCC1 ZINC000079932900 388702112 /nfs/dbraw/zinc/70/21/12/388702112.db2.gz YJKITTVUDGXPBP-UHFFFAOYSA-N 0 0 242.304 1.272 50 5 BDBARN O=[N+]([O-])c1c(-n2ccnc2)nc2ccccn21 ZINC000021673567 388816467 /nfs/dbraw/zinc/81/64/67/388816467.db2.gz NIZGBXRJWULUMT-UHFFFAOYSA-N 0 0 229.199 1.428 50 5 BDBARN Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000002257400 224473550 /nfs/dbraw/zinc/47/35/50/224473550.db2.gz KWJOMJLANYBBDV-UHFFFAOYSA-N 0 0 205.999 1.091 50 5 BDBARN O=C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004052624 132316136 /nfs/dbraw/zinc/31/61/36/132316136.db2.gz CRGRJUULGQHKOZ-UHFFFAOYSA-N 0 0 220.228 1.764 50 5 BDBARN O=[N+]([O-])c1ccc(N2CCC[C@H](CO)C2)cc1 ZINC000040412392 132347307 /nfs/dbraw/zinc/34/73/07/132347307.db2.gz GHESWKCVPRIYLS-JTQLQIEISA-N 0 0 236.271 1.804 50 5 BDBARN CCn1nnnc1-c1ccc([N+](=O)[O-])cc1 ZINC000257173381 135099087 /nfs/dbraw/zinc/09/90/87/135099087.db2.gz LQSJHLINOHDALR-UHFFFAOYSA-N 0 0 219.204 1.268 50 5 BDBARN CC1C[C@](C)([N+](=O)[O-])[C@@](C)([N+](=O)[O-])C1 ZINC000075286804 397979207 /nfs/dbraw/zinc/97/92/07/397979207.db2.gz FQEJFTMNTSTEOT-YUMQZZPRSA-N 0 0 202.210 1.487 50 5 BDBARN O=C(c1ccc([N+](=O)[O-])o1)N1CCCC1 ZINC000002874920 411172633 /nfs/dbraw/zinc/17/26/33/411172633.db2.gz LDUXYBUURARSSA-UHFFFAOYSA-N 0 0 210.189 1.424 50 5 BDBARN CCN(CC)c1ccc([N+](=O)[O-])c(N)n1 ZINC000167771132 169804991 /nfs/dbraw/zinc/80/49/91/169804991.db2.gz BOLKOVRAXIRJMT-UHFFFAOYSA-N 0 0 210.237 1.418 50 5 BDBARN CCOC(=O)[C@H](O)c1ccccc1[N+](=O)[O-] ZINC000001510823 170278306 /nfs/dbraw/zinc/27/83/06/170278306.db2.gz ZHZOPDQZNGEBAH-SECBINFHSA-N 0 0 225.200 1.191 50 5 BDBARN CCOC(=O)c1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000019045405 170292726 /nfs/dbraw/zinc/29/27/26/170292726.db2.gz WASBIXOONHANMQ-UHFFFAOYSA-N 0 0 241.199 1.486 50 5 BDBARN CCOC(=O)c1cn2cc([N+](=O)[O-])ccc2n1 ZINC000002563817 170300503 /nfs/dbraw/zinc/30/05/03/170300503.db2.gz XOXFLWMGZPJKAF-UHFFFAOYSA-N 0 0 235.199 1.419 50 5 BDBARN CCONC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000012728153 170468997 /nfs/dbraw/zinc/46/89/97/170468997.db2.gz SHUMPGTYAPCHQF-UHFFFAOYSA-N 0 0 224.216 1.585 50 5 BDBARN CCOc1nc(C)nc(Cl)c1[N+](=O)[O-] ZINC000000501204 170602381 /nfs/dbraw/zinc/60/23/81/170602381.db2.gz ZOQWQFHOAMXOSP-UHFFFAOYSA-N 0 0 217.612 1.745 50 5 BDBARN CC[C@@](C)(O)CNc1ncccc1[N+](=O)[O-] ZINC000058195402 171187549 /nfs/dbraw/zinc/18/75/49/171187549.db2.gz JCJWDPRLPLYEBZ-SNVBAGLBSA-N 0 0 225.248 1.563 50 5 BDBARN CCc1nc2nonc2c2nc3ccccc3n21 ZINC000000202008 172015609 /nfs/dbraw/zinc/01/56/09/172015609.db2.gz DUXKQXZUOSEJIT-UHFFFAOYSA-N 0 0 239.238 1.981 50 5 BDBARN CCn1cc(Cn2cc([N+](=O)[O-])cn2)c(C)n1 ZINC000002538925 172177621 /nfs/dbraw/zinc/17/76/21/172177621.db2.gz PEDRFEUKJQXHKP-UHFFFAOYSA-N 0 0 235.247 1.364 50 5 BDBARN CCn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000000330973 172199313 /nfs/dbraw/zinc/19/93/13/172199313.db2.gz DWIAFJLCBYNTHL-UHFFFAOYSA-N 0 0 247.048 1.539 50 5 BDBARN CNC(=O)c1noc2cc([N+](=O)[O-])ccc21 ZINC000004090398 173314581 /nfs/dbraw/zinc/31/45/81/173314581.db2.gz RLCVICWUJNELHY-UHFFFAOYSA-N 0 0 221.172 1.096 50 5 BDBARN COC(=O)COc1ccc([N+](=O)[O-])cc1C ZINC000039110803 173614670 /nfs/dbraw/zinc/61/46/70/173614670.db2.gz SFROUNMUBMZLJB-UHFFFAOYSA-N 0 0 225.200 1.455 50 5 BDBARN COC(=O)c1cc([N+](=O)[O-])c(F)cc1F ZINC000035333516 173862383 /nfs/dbraw/zinc/86/23/83/173862383.db2.gz KLMBOVOUTOBMLS-UHFFFAOYSA-N 0 0 217.127 1.660 50 5 BDBARN COC(=O)c1cc([N+](=O)[O-])cnc1Cl ZINC000008698231 173862890 /nfs/dbraw/zinc/86/28/90/173862890.db2.gz IPSMDDVNXJKYRH-UHFFFAOYSA-N 0 0 216.580 1.430 50 5 BDBARN CON(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000083795533 174658671 /nfs/dbraw/zinc/65/86/71/174658671.db2.gz SRCZLVFHISZNCN-UHFFFAOYSA-N 0 0 244.634 1.882 50 5 BDBARN COc1cc([N+](=O)[O-])ccc1OC1COC1 ZINC000071791995 175018024 /nfs/dbraw/zinc/01/80/24/175018024.db2.gz SRLCNOCQIYAYMH-UHFFFAOYSA-N 0 0 225.200 1.381 50 5 BDBARN COc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000002165057 175174694 /nfs/dbraw/zinc/17/46/94/175174694.db2.gz NPQPEWSDPMSLMR-UHFFFAOYSA-N 0 0 231.229 1.007 50 5 BDBARN COc1ccc2[nH]c3c4nncn4cnc3c2c1 ZINC000005911245 175201751 /nfs/dbraw/zinc/20/17/51/175201751.db2.gz LMHGWAFKJBWKPF-UHFFFAOYSA-N 0 0 239.238 1.767 50 5 BDBARN CS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000001729094 175425518 /nfs/dbraw/zinc/42/55/18/175425518.db2.gz XJQWZUJNHLGBQG-UHFFFAOYSA-N 0 0 215.230 1.139 50 5 BDBARN C[C@@H](O)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000000237561 176000928 /nfs/dbraw/zinc/00/09/28/176000928.db2.gz IVFGODDNHJTTBF-RXMQYKEDSA-N 0 0 207.189 1.524 50 5 BDBARN C[C@@H]1S[C@@H](c2cccc([N+](=O)[O-])c2)NC1=O ZINC000013943148 176489460 /nfs/dbraw/zinc/48/94/60/176489460.db2.gz ZRBDZCSETAATRB-WKEGUHRASA-N 0 0 238.268 1.845 50 5 BDBARN C[C@H](O)[C@H](C)Sc1ncccc1[N+](=O)[O-] ZINC000078582365 177013077 /nfs/dbraw/zinc/01/30/77/177013077.db2.gz WNZURCNLMNEWTC-BQBZGAKWSA-N 0 0 228.273 1.851 50 5 BDBARN Cc1c(Br)cnc(N)c1[N+](=O)[O-] ZINC000021981756 177556744 /nfs/dbraw/zinc/55/67/44/177556744.db2.gz KFVGEPWMVKZPND-UHFFFAOYSA-N 0 0 232.037 1.643 50 5 in-vitro BDBARN Cc1ccn(Cc2ccon2)c(=O)c1[N+](=O)[O-] ZINC000084247991 488040929 /nfs/dbraw/zinc/04/09/29/488040929.db2.gz BLDMEZURTUDVSV-UHFFFAOYSA-N 0 0 235.199 1.101 50 5 BDBARN O=[N+]([O-])c1ccc(CN2CCC(O)CC2)o1 ZINC000000199505 632545303 /nfs/dbraw/zinc/54/53/03/632545303.db2.gz URJBOOGMKQGAIJ-UHFFFAOYSA-N 0 0 226.232 1.145 50 5 BDBARN Cc1cc(NC(C)(C)CO)ncc1[N+](=O)[O-] ZINC000019815720 178152437 /nfs/dbraw/zinc/15/24/37/178152437.db2.gz KRJSFTPPHZGJRD-UHFFFAOYSA-N 0 0 225.248 1.481 50 5 BDBARN CC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000004783070 259301720 /nfs/dbraw/zinc/30/17/20/259301720.db2.gz GZZZQLBCXJQUHD-ZETCQYMHSA-N 0 0 208.217 1.792 50 5 BDBARN CC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000004783085 259301735 /nfs/dbraw/zinc/30/17/35/259301735.db2.gz GZZZQLBCXJQUHD-SSDOTTSWSA-N 0 0 208.217 1.792 50 5 BDBARN Cc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1F ZINC000207344757 178269602 /nfs/dbraw/zinc/26/96/02/178269602.db2.gz DKIGICFLNPXDBT-UHFFFAOYSA-N 0 0 200.125 1.951 50 5 BDBARN Cc1ccc(-n2cnnc2)cc1[N+](=O)[O-] ZINC000070461537 178347365 /nfs/dbraw/zinc/34/73/65/178347365.db2.gz GALBDKBCRYKSPS-UHFFFAOYSA-N 0 0 204.189 1.484 50 5 BDBARN Nc1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000000150952 342677302 /nfs/dbraw/zinc/67/73/02/342677302.db2.gz JQARZSMORFTYHY-UHFFFAOYSA-N 0 0 206.157 1.283 50 5 BDBARN CCOc1cc([N+](=O)[O-])c(C=O)cc1OC ZINC000000466468 342688003 /nfs/dbraw/zinc/68/80/03/342688003.db2.gz JKWFOUAOSIGNKD-UHFFFAOYSA-N 0 0 225.200 1.815 50 5 BDBARN C[C@H](CO)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000032779568 342875102 /nfs/dbraw/zinc/87/51/02/342875102.db2.gz UECJKDDEQDOLCM-SSDOTTSWSA-N 0 0 239.231 1.097 50 5 BDBARN C[C@H](O)CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000032797158 342876528 /nfs/dbraw/zinc/87/65/28/342876528.db2.gz YUQHTMGJSLCXNW-ZETCQYMHSA-N 0 0 239.231 1.097 50 5 BDBARN C[C@@H](O)CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004358710 342856513 /nfs/dbraw/zinc/85/65/13/342856513.db2.gz MIHIEAVBDFASSU-ZCFIWIBFSA-N 0 0 241.203 1.296 50 5 BDBARN O=[N+]([O-])c1cccc(Cn2ccnn2)c1 ZINC000039298857 398329403 /nfs/dbraw/zinc/32/94/03/398329403.db2.gz IZVYBOAHMLOLBO-UHFFFAOYSA-N 0 0 204.189 1.235 50 5 BDBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C ZINC000004844756 344514196 /nfs/dbraw/zinc/51/41/96/344514196.db2.gz IFIUFCJFLGCQPH-UHFFFAOYSA-N 0 0 244.272 1.154 50 5 in-vitro BDBARN Cc1cc(C)n(-c2ncccc2[N+](=O)[O-])n1 ZINC000000110656 344544427 /nfs/dbraw/zinc/54/44/27/344544427.db2.gz WHYUYNMOCOSTEO-UHFFFAOYSA-N 0 0 218.216 1.792 50 5 BDBARN COc1c(F)cc([N+](=O)[O-])c(OC)c1F ZINC000039149927 345360341 /nfs/dbraw/zinc/36/03/41/345360341.db2.gz RGBATJZGSLPNJM-UHFFFAOYSA-N 0 0 219.143 1.890 50 5 BDBARN O=C1COc2ccc(/C=C/[N+](=O)[O-])cc2N1 ZINC000669368746 537947310 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/nfs/dbraw/zinc/27/54/51/178275451.db2.gz WRBBQRDNSXDDJE-UHFFFAOYSA-N 0 0 224.245 1.605 50 5 BDBARN Cc1ccc(-c2ccc(=O)[nH]n2)cc1[N+](=O)[O-] ZINC000020096269 178322618 /nfs/dbraw/zinc/32/26/18/178322618.db2.gz KWNYJAXBNNWFBE-UHFFFAOYSA-N 0 0 231.211 1.654 50 5 BDBARN CCOC(=O)/C=C\c1ccc([N+](=O)[O-])o1 ZINC000031485172 398326494 /nfs/dbraw/zinc/32/64/94/398326494.db2.gz WGROOPOBLKUOMN-XQRVVYSFSA-N 0 0 211.173 1.764 50 5 BDBARN O=[N+]([O-])c1cc(F)ccc1N1CC[C@H](O)C1 ZINC000069491636 398330288 /nfs/dbraw/zinc/33/02/88/398330288.db2.gz IYZVXYHAVLTSLB-QMMMGPOBSA-N 0 0 226.207 1.305 50 5 BDBARN Nc1c(F)c(N)c([N+](=O)[O-])c(F)c1F ZINC000019910277 342962883 /nfs/dbraw/zinc/96/28/83/342962883.db2.gz HGYLISKVTLKRJJ-UHFFFAOYSA-N 0 0 207.111 1.177 50 5 BDBARN O=C(c1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000000103206 344405183 /nfs/dbraw/zinc/40/51/83/344405183.db2.gz WBTLBXTZTHPWQZ-UHFFFAOYSA-N 0 0 220.228 1.831 50 5 BDBARN O=[N+]([O-])c1ccc(Br)nc1 ZINC000000331610 344701640 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/nfs/dbraw/zinc/38/82/53/180388253.db2.gz VFQZKELCKBAFBJ-UHFFFAOYSA-N 0 0 227.264 1.569 50 5 BDBARN Cn1ccnc1SCn1cc([N+](=O)[O-])cn1 ZINC000016972279 362971008 /nfs/dbraw/zinc/97/10/08/362971008.db2.gz MGGRZMLPVLRHHR-UHFFFAOYSA-N 0 0 239.260 1.275 50 5 BDBARN O=C1C=CC(=O)N1c1ccccc1[N+](=O)[O-] ZINC000003896908 351465947 /nfs/dbraw/zinc/46/59/47/351465947.db2.gz SCXAYTWCHGRQPA-UHFFFAOYSA-N 0 0 218.168 1.024 50 5 BDBARN O=C1CC[C@H]([N+](=O)[O-])[C@@H](c2ccccc2)N1 ZINC000001301200 353131031 /nfs/dbraw/zinc/13/10/31/353131031.db2.gz GAGVVGLUMJMUDP-GXSJLCMTSA-N 0 0 220.228 1.283 50 5 BDBARN CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000305102 188099719 /nfs/dbraw/zinc/09/97/19/188099719.db2.gz AYMSQYWHOFXMCF-UHFFFAOYSA-N 0 0 214.608 1.608 50 5 BDBARN CC(=O)COC(=O)c1ccccc1[N+](=O)[O-] ZINC000038293719 188116686 /nfs/dbraw/zinc/11/66/86/188116686.db2.gz BSWBMCHVHSEFPW-UHFFFAOYSA-N 0 0 223.184 1.341 50 5 BDBARN O=[N+]([O-])c1ccc2nnc(C(F)(F)F)n2c1 ZINC000001383745 353296278 /nfs/dbraw/zinc/29/62/78/353296278.db2.gz ARERAMISBPJMHE-UHFFFAOYSA-N 0 0 232.121 1.656 50 5 BDBARN Cc1c(NC(N)=S)cccc1[N+](=O)[O-] ZINC000001389789 353299285 /nfs/dbraw/zinc/29/92/85/353299285.db2.gz FMARWYVXAGHIER-UHFFFAOYSA-N 0 0 211.246 1.559 50 5 BDBARN C[C@@H](CO)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000035205665 356017791 /nfs/dbraw/zinc/01/77/91/356017791.db2.gz GQRGGCCHOSCDBA-QMMMGPOBSA-N 0 0 247.254 1.936 50 5 BDBARN O=[N+]([O-])c1cc[n+]([O-])c(-c2ccccn2)c1 ZINC000002169881 363496712 /nfs/dbraw/zinc/49/67/12/363496712.db2.gz TXORGAZSDCKPSN-UHFFFAOYSA-N 0 0 217.184 1.290 50 5 BDBARN O=[N+]([O-])c1ccnc(-c2cccc[n+]2[O-])c1 ZINC000002169879 363496768 /nfs/dbraw/zinc/49/67/68/363496768.db2.gz IEUGYFUVBQOHIZ-UHFFFAOYSA-N 0 0 217.184 1.290 50 5 BDBARN CCN(C(C)=O)c1cccc([N+](=O)[O-])c1 ZINC000002164819 363494604 /nfs/dbraw/zinc/49/46/04/363494604.db2.gz UWHBFCJMDCMTGD-UHFFFAOYSA-N 0 0 208.217 1.968 50 5 BDBARN Cc1nn2cnc3ccc(Cl)cc3c2nc1=O ZINC000075093418 356820201 /nfs/dbraw/zinc/82/02/01/356820201.db2.gz JNYHSWMJXDERRI-UHFFFAOYSA-N 0 0 246.657 1.600 50 5 BDBARN COc1cc(OC(C)=O)c([N+](=O)[O-])cc1OC ZINC000200000311 358182341 /nfs/dbraw/zinc/18/23/41/358182341.db2.gz PKIZDEMBCBNCKH-UHFFFAOYSA-N 0 0 241.199 1.537 50 5 BDBARN Cn1cnc([N+](=O)[O-])c1Sc1ncc[nH]1 ZINC000013211943 361548222 /nfs/dbraw/zinc/54/82/22/361548222.db2.gz YAKMTMNKZORXIL-UHFFFAOYSA-N 0 0 225.233 1.203 50 5 BDBARN Cc1cnn(-c2ncccc2[N+](=O)[O-])c1 ZINC000012345618 370849659 /nfs/dbraw/zinc/84/96/59/370849659.db2.gz NZYCHZSXLHDUOK-UHFFFAOYSA-N 0 0 204.189 1.484 50 5 BDBARN COC(=O)COc1ccc(OC)c([N+](=O)[O-])c1 ZINC000020259380 371254817 /nfs/dbraw/zinc/25/48/17/371254817.db2.gz WQXPOLRNVHKOLB-UHFFFAOYSA-N 0 0 241.199 1.155 50 5 BDBARN Nc1ccc(C(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000012528594 181699477 /nfs/dbraw/zinc/69/94/77/181699477.db2.gz XDSDFKUXSHUGOQ-UHFFFAOYSA-N 0 0 249.270 1.803 50 5 BDBARN Nc1cc(OCC(F)F)cc([N+](=O)[O-])c1 ZINC000002558379 371580456 /nfs/dbraw/zinc/58/04/56/371580456.db2.gz NKVLRUWGBCMVPU-UHFFFAOYSA-N 0 0 218.159 1.821 50 5 BDBARN COC(=O)[C@H](C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000002732118 371642297 /nfs/dbraw/zinc/64/22/97/371642297.db2.gz MMGXQXXLOJZPHS-ZCFIWIBFSA-N 0 0 241.247 1.217 50 5 BDBARN O=C(c1ccc([N+](=O)[O-])s1)N1CCOCC1 ZINC000003625776 372033956 /nfs/dbraw/zinc/03/39/56/372033956.db2.gz RKBSEAKDMUAGLJ-UHFFFAOYSA-N 0 0 242.256 1.129 50 5 BDBARN O=C(Cn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000000049629 182067580 /nfs/dbraw/zinc/06/75/80/182067580.db2.gz USTHVNSOBXSHJI-UHFFFAOYSA-N 0 0 231.211 1.674 50 5 BDBARN O=[N+]([O-])c1cn(Cc2cccc(F)c2)cn1 ZINC000040489741 373316083 /nfs/dbraw/zinc/31/60/83/373316083.db2.gz JZWAYXJCXWCBPC-UHFFFAOYSA-N 0 0 221.191 1.979 50 5 BDBARN O=C(NCc1ccncc1)c1ccc([N+](=O)[O-])o1 ZINC000000183007 182265551 /nfs/dbraw/zinc/26/55/51/182265551.db2.gz WCVVVRGNVZLAHR-UHFFFAOYSA-N 0 0 247.210 1.513 50 5 BDBARN O=CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000004774895 182854398 /nfs/dbraw/zinc/85/43/98/182854398.db2.gz RJIDVUKZZDBNPQ-UHFFFAOYSA-N 0 0 200.581 1.817 50 5 BDBARN O=[N+]([O-])c1ccc(-n2cncn2)c(F)c1 ZINC000004784658 182926887 /nfs/dbraw/zinc/92/68/87/182926887.db2.gz JTOQNQIBUCTGFM-UHFFFAOYSA-N 0 0 208.152 1.315 50 5 BDBARN O=[N+]([O-])c1cccc(OC[C@@H]2COCCO2)c1 ZINC000241897343 182946621 /nfs/dbraw/zinc/94/66/21/182946621.db2.gz TXWJBESCZAIPHH-NSHDSACASA-N 0 0 239.227 1.389 50 5 BDBARN O=[N+]([O-])c1ccc2c(c1)OC(F)(F)O2 ZINC000002391991 182941225 /nfs/dbraw/zinc/94/12/25/182941225.db2.gz YCLXTFDBDIYVPZ-UHFFFAOYSA-N 0 0 203.100 1.916 50 5 BDBARN CCCN(CCC)c1nc(N)ncc1[N+](=O)[O-] ZINC000005445655 169154674 /nfs/dbraw/zinc/15/46/74/169154674.db2.gz SJZPSFQVSYQNAE-UHFFFAOYSA-N 0 0 239.279 1.593 50 5 BDBARN CCCNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000004156621 169251880 /nfs/dbraw/zinc/25/18/80/169251880.db2.gz ZUSJRWQHCBHNPV-UHFFFAOYSA-N 0 0 238.243 1.743 50 5 BDBARN CCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000003075301 169274024 /nfs/dbraw/zinc/27/40/24/169274024.db2.gz ACOSRAUGLQAPTG-UHFFFAOYSA-N 0 0 244.272 1.283 50 5 BDBARN Nc1nccnc1Sc1ncccc1[N+](=O)[O-] ZINC000000335745 384065542 /nfs/dbraw/zinc/06/55/42/384065542.db2.gz SMSYGAJIBKDEIB-UHFFFAOYSA-N 0 0 249.255 1.513 50 5 BDBARN Cc1n[nH]c(-n2nnc3ccccc32)c1[N+](=O)[O-] ZINC000000340591 384080269 /nfs/dbraw/zinc/08/02/69/384080269.db2.gz ZWGCOGRBPKTKCC-UHFFFAOYSA-N 0 0 244.214 1.360 50 5 BDBARN CCCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000005050810 384412209 /nfs/dbraw/zinc/41/22/09/384412209.db2.gz PPJISIRRBVDPCT-UHFFFAOYSA-N 0 0 223.232 1.516 50 5 BDBARN Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1 ZINC000017744339 384491385 /nfs/dbraw/zinc/49/13/85/384491385.db2.gz IQTFBFZCUYGFES-UHFFFAOYSA-N 0 0 222.229 1.696 50 5 BDBARN COC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000071789028 384698424 /nfs/dbraw/zinc/69/84/24/384698424.db2.gz QLBGQKDRKJSSFI-UHFFFAOYSA-N 0 0 229.163 1.529 50 5 BDBARN Cn1nccc1-c1ccc([N+](=O)[O-])cc1 ZINC000071789017 384699032 /nfs/dbraw/zinc/69/90/32/384699032.db2.gz RYDRFLGHCCWBPA-UHFFFAOYSA-N 0 0 203.201 1.995 50 5 BDBARN O=CNc1ccc([N+](=O)[O-])cc1Cl ZINC000004774641 384950002 /nfs/dbraw/zinc/95/00/02/384950002.db2.gz MYCMEGWPQLBYIA-UHFFFAOYSA-N 0 0 200.581 1.817 50 5 BDBARN COc1ccc(OCn2cc([N+](=O)[O-])cn2)cc1 ZINC000072334145 384980177 /nfs/dbraw/zinc/98/01/77/384980177.db2.gz ZCYRQIXXDXJZQM-UHFFFAOYSA-N 0 0 249.226 1.836 50 5 BDBARN COc1ccc([N+](=O)[O-])c2c1CCN2C(C)=O ZINC000034006252 384993331 /nfs/dbraw/zinc/99/33/31/384993331.db2.gz XTDOTDNEFVLNCF-UHFFFAOYSA-N 0 0 236.227 1.512 50 5 BDBARN CC(=O)Nc1cc([N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000005283554 385003644 /nfs/dbraw/zinc/00/36/44/385003644.db2.gz DCDAWUHKQSJFBU-UHFFFAOYSA-N 0 0 225.160 1.461 50 5 BDBARN O=[N+]([O-])c1cc([N+](=O)[O-])n(C2CCCC2)n1 ZINC000072209603 385058686 /nfs/dbraw/zinc/05/86/86/385058686.db2.gz CPPSWGSVBBZZKJ-UHFFFAOYSA-N 0 0 226.192 1.815 50 5 BDBARN COC[C@@H](C)OC(=O)c1ccccc1[N+](=O)[O-] ZINC000073836388 386348775 /nfs/dbraw/zinc/34/87/75/386348775.db2.gz ZWZWQVPSKYEQDE-MRVPVSSYSA-N 0 0 239.227 1.787 50 5 BDBARN CC[C@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000001233455 386583559 /nfs/dbraw/zinc/58/35/59/386583559.db2.gz YYGDFKGDBDHNSF-SECBINFHSA-N 0 0 238.243 1.096 50 5 BDBARN O=Cc1ccc([N+](=O)[O-])c(N2CCSC2)c1 ZINC000169725223 387975110 /nfs/dbraw/zinc/97/51/10/387975110.db2.gz YEFQAQNZQTZVEO-UHFFFAOYSA-N 0 0 238.268 1.918 50 5 BDBARN CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000037023625 388085416 /nfs/dbraw/zinc/08/54/16/388085416.db2.gz FSCGKCHIKUZICV-UHFFFAOYSA-N 0 0 244.272 1.201 50 5 BDBARN O=[N+]([O-])c1cc[n+]([O-])c2[nH]cc(C(F)(F)F)c21 ZINC000238790025 388255978 /nfs/dbraw/zinc/25/59/78/388255978.db2.gz OFDBYGKJZOPJKS-UHFFFAOYSA-N 0 0 247.132 1.728 50 5 BDBARN O=C1NC2(CCC2)Nc2ccc([N+](=O)[O-])cc21 ZINC000090661417 388448649 /nfs/dbraw/zinc/44/86/49/388448649.db2.gz PGSURDWUMJXDOU-UHFFFAOYSA-N 0 0 233.227 1.630 50 5 BDBARN O=[N+]([O-])c1ccc(N2CCCCCO2)nc1 ZINC000253421606 388592094 /nfs/dbraw/zinc/59/20/94/388592094.db2.gz YOKFRFVLSMJSIZ-UHFFFAOYSA-N 0 0 223.232 1.912 50 5 BDBARN O=C1C[C@@H](c2ccc([N+](=O)[O-])cc2)CN1 ZINC000091692854 388647960 /nfs/dbraw/zinc/64/79/60/388647960.db2.gz DFSONBFTQBLUGR-MRVPVSSYSA-N 0 0 206.201 1.198 50 5 BDBARN O=C1OCCO/C1=C/c1ccc([N+](=O)[O-])o1 ZINC000012374933 388718522 /nfs/dbraw/zinc/71/85/22/388718522.db2.gz OBLDCOJFPMNSKD-FNORWQNLSA-N 0 0 225.156 1.102 50 5 BDBARN O=[N+]([O-])c1ccccc1N1CCCS1(=O)=O ZINC000095495561 388778046 /nfs/dbraw/zinc/77/80/46/388778046.db2.gz NZSQAOFLIWSBBN-UHFFFAOYSA-N 0 0 242.256 1.135 50 5 BDBARN CON(C)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000095938727 388791347 /nfs/dbraw/zinc/79/13/47/388791347.db2.gz LEHYIRPYDVBOMB-FPLPWBNLSA-N 0 0 236.227 1.628 50 5 BDBARN COC(=O)c1cnc2[nH]cc([N+](=O)[O-])cc1-2 ZINC000096372364 388817806 /nfs/dbraw/zinc/81/78/06/388817806.db2.gz GMLPCJJUCWEWJO-UHFFFAOYSA-N 0 0 221.172 1.258 50 5 BDBARN C[C@H]1Oc2cc([N+](=O)[O-])ccc2N(C)C1=O ZINC000020397431 132293579 /nfs/dbraw/zinc/29/35/79/132293579.db2.gz GIKJVVDUPAPCAB-ZCFIWIBFSA-N 0 0 222.200 1.339 50 5 BDBARN O=[N+]([O-])c1ccc(N2CCC[C@@H](CO)C2)cc1 ZINC000040412395 132347285 /nfs/dbraw/zinc/34/72/85/132347285.db2.gz GHESWKCVPRIYLS-SNVBAGLBSA-N 0 0 236.271 1.804 50 5 BDBARN CCOCCSc1c([N+](=O)[O-])c(C)nn1C ZINC000096436781 409985491 /nfs/dbraw/zinc/98/54/91/409985491.db2.gz KWARJWWNQBNFPY-UHFFFAOYSA-N 0 0 245.304 1.765 50 5 BDBARN CC(C)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000003188585 166964028 /nfs/dbraw/zinc/96/40/28/166964028.db2.gz RWZOQTMDWLCAPO-UHFFFAOYSA-N 0 0 248.238 1.847 50 5 BDBARN CC(C)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000007365714 167060417 /nfs/dbraw/zinc/06/04/17/167060417.db2.gz YTPYQXRTELDRBD-UHFFFAOYSA-N 0 0 237.259 1.531 50 5 BDBARN Cc1csc(NC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000047239777 411118138 /nfs/dbraw/zinc/11/81/38/411118138.db2.gz MEGRFEMDMIRMFS-PHDIDXHHSA-N 0 0 227.245 1.055 50 5 BDBARN CC1(C)c2cc([N+](=O)[O-])ccc2NC1=O ZINC000034568191 167878338 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CCn1cc([N+](=O)[O-])c(C(=O)n2cc(C)cn2)n1 ZINC000002778962 172199272 /nfs/dbraw/zinc/19/92/72/172199272.db2.gz HIUFUYYSTSUCKB-UHFFFAOYSA-N 0 0 249.230 1.005 50 5 BDBARN CCn1nnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000000090080 172285133 /nfs/dbraw/zinc/28/51/33/172285133.db2.gz SAKFNENLNUVSCL-UHFFFAOYSA-N 0 0 219.204 1.268 50 5 BDBARN CN(C)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000003121896 172388294 /nfs/dbraw/zinc/38/82/94/172388294.db2.gz AGILBXYTKHRLRV-UHFFFAOYSA-N 0 0 228.635 1.950 50 5 BDBARN CNc1ccc([N+](=O)[O-])c(C(=O)OC)c1 ZINC000029753833 173480723 /nfs/dbraw/zinc/48/07/23/173480723.db2.gz PBMGKPKKYDPJMG-UHFFFAOYSA-N 0 0 210.189 1.423 50 5 BDBARN COC(=O)COc1ccc(C)cc1[N+](=O)[O-] ZINC000037406649 173614799 /nfs/dbraw/zinc/61/47/99/173614799.db2.gz IGGMQDWLKIVRDB-UHFFFAOYSA-N 0 0 225.200 1.455 50 5 BDBARN COC(=O)COc1ccc(C)c([N+](=O)[O-])c1 ZINC000095438576 173614829 /nfs/dbraw/zinc/61/48/29/173614829.db2.gz SVAHLMZQZMYCMX-UHFFFAOYSA-N 0 0 225.200 1.455 50 5 BDBARN COC(=O)c1cc([N+](=O)[O-])c(N)s1 ZINC000039085126 173862282 /nfs/dbraw/zinc/86/22/82/173862282.db2.gz QNZKSILGWVCZJH-UHFFFAOYSA-N 0 0 202.191 1.025 50 5 BDBARN COCCCCn1cccc([N+](=O)[O-])c1=O ZINC000088499958 174210521 /nfs/dbraw/zinc/21/05/21/174210521.db2.gz KWSOHLYBXVMHGK-UHFFFAOYSA-N 0 0 226.232 1.183 50 5 BDBARN COCCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002870874 174245203 /nfs/dbraw/zinc/24/52/03/174245203.db2.gz COMGTTCZMUGTCZ-UHFFFAOYSA-N 0 0 238.243 1.361 50 5 BDBARN COCCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004776647 174325620 /nfs/dbraw/zinc/32/56/20/174325620.db2.gz PGXZNKSUHMEKQZ-UHFFFAOYSA-N 0 0 239.231 1.363 50 5 BDBARN COCCNc1ccc([N+](=O)[O-])c(N)c1 ZINC000095929102 174341683 /nfs/dbraw/zinc/34/16/83/174341683.db2.gz ZTVZFGGCSJBRDA-UHFFFAOYSA-N 0 0 211.221 1.235 50 5 BDBARN C[C@@H](Cn1cccn1)Nc1ccc([N+](=O)[O-])cn1 ZINC000042106237 175781397 /nfs/dbraw/zinc/78/13/97/175781397.db2.gz BCASLTWSRADKQB-VIFPVBQESA-N 0 0 247.258 1.687 50 5 BDBARN C[C@@H]([C@H]1OC(=O)c2ccccc21)[N+](=O)[O-] ZINC000000167807 176012384 /nfs/dbraw/zinc/01/23/84/176012384.db2.gz FCWYFQGGRBDNRW-IMTBSYHQSA-N 0 0 207.185 1.563 50 5 BDBARN C[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]([NH3+])C(=O)[O-] ZINC000005671901 176016562 /nfs/dbraw/zinc/01/65/62/176016562.db2.gz UGAGINQCEMIKQG-IMTBSYHQSA-N 0 0 224.216 1.110 50 5 BDBARN C[C@@H]1CN(c2ccc([N+](=O)[O-])s2)CCO1 ZINC000048275908 176318905 /nfs/dbraw/zinc/31/89/05/176318905.db2.gz NAMSIHWISBQROM-SSDOTTSWSA-N 0 0 228.273 1.881 50 5 BDBARN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000000254866 491128913 /nfs/dbraw/zinc/12/89/13/491128913.db2.gz XYJJSLMPHYYITA-UHFFFAOYSA-N 0 0 235.648 1.652 50 5 BDBARN CC1=CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000004416442 520848966 /nfs/dbraw/zinc/84/89/66/520848966.db2.gz PQJJJUQTGPYSHI-UHFFFAOYSA-N 0 0 232.195 1.414 50 5 BDBARN Nc1n[nH]c(-c2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000003723299 633083632 /nfs/dbraw/zinc/08/36/32/633083632.db2.gz FNHFJTQGVPZELS-UHFFFAOYSA-N 0 0 239.622 1.616 50 5 BDBARN Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000158829250 641651430 /nfs/dbraw/zinc/65/14/30/641651430.db2.gz TUDQYOZJKBLNLK-UHFFFAOYSA-N 0 0 207.189 1.062 50 5 BDBARN N#CNC(=N)Nc1ccc([N+](=O)[O-])cc1 ZINC000022203600 642380004 /nfs/dbraw/zinc/38/00/04/642380004.db2.gz UVDGHZJLCLWFAV-UHFFFAOYSA-N 0 0 205.177 1.012 50 5 BDBARN c1ccc2c(c1)[nH]c1nc3nonc3nc21 ZINC000000051507 398145312 /nfs/dbraw/zinc/14/53/12/398145312.db2.gz OJANGVKWCFHNAW-UHFFFAOYSA-N 0 0 211.184 1.647 50 5 BDBARN C[C@H](CO)Nc1sccc1[N+](=O)[O-] ZINC000097144413 398245035 /nfs/dbraw/zinc/24/50/35/398245035.db2.gz OHRMACZPYQTUGM-RXMQYKEDSA-N 0 0 202.235 1.449 50 5 BDBARN Cc1cc2ncn3c4ccccc4nc3n2n1 ZINC000000545761 178305313 /nfs/dbraw/zinc/30/53/13/178305313.db2.gz LNHGKPMZABILOA-UHFFFAOYSA-N 0 0 223.239 1.839 50 5 BDBARN Cc1cc2ncc(-c3n[nH]cc3[N+](=O)[O-])cn2n1 ZINC000004809748 178303484 /nfs/dbraw/zinc/30/34/84/178303484.db2.gz BXIUEDGNCCKVRB-UHFFFAOYSA-N 0 0 244.214 1.336 50 5 BDBARN O=C1CCCc2ccc([N+](=O)[O-])cc2N1 ZINC000004202779 342744026 /nfs/dbraw/zinc/74/40/26/342744026.db2.gz SSTQWTAKTYMLTB-UHFFFAOYSA-N 0 0 206.201 1.870 50 5 BDBARN C[C@@H](O)CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000032797157 342876517 /nfs/dbraw/zinc/87/65/17/342876517.db2.gz YUQHTMGJSLCXNW-SSDOTTSWSA-N 0 0 239.231 1.097 50 5 BDBARN NC(=O)CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000004834261 343139131 /nfs/dbraw/zinc/13/91/31/343139131.db2.gz BORJKUFXNTZNLQ-UHFFFAOYSA-N 0 0 243.650 1.536 50 5 BDBARN Cc1nc(COc2cccc([N+](=O)[O-])c2)no1 ZINC000048388056 343257813 /nfs/dbraw/zinc/25/78/13/343257813.db2.gz WHOWOZGQWFBRQV-UHFFFAOYSA-N 0 0 235.199 1.865 50 5 BDBARN C[C@H](O)CCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000004644990 343748585 /nfs/dbraw/zinc/74/85/85/343748585.db2.gz NOTMJBSGRYBWJS-ZETCQYMHSA-N 0 0 235.243 1.785 50 5 BDBARN O=c1[nH]c2ccc(Cl)c([N+](=O)[O-])c2[nH]c1=O ZINC000000039639 344057214 /nfs/dbraw/zinc/05/72/14/344057214.db2.gz CBOGQYULZQIEKT-UHFFFAOYSA-N 0 0 241.590 1.190 50 5 BDBARN CCCn1cc([N+](=O)[O-])cc1C(=O)OCC ZINC000000484607 346736857 /nfs/dbraw/zinc/73/68/57/346736857.db2.gz FZCVMZVOIVTRFD-UHFFFAOYSA-N 0 0 226.232 1.983 50 5 BDBARN CC(=O)Oc1cccc(OC(C)=O)c1[N+](=O)[O-] ZINC000000170570 187408581 /nfs/dbraw/zinc/40/85/81/187408581.db2.gz IMZBZTLSMCOIJA-UHFFFAOYSA-N 0 0 239.183 1.445 50 5 BDBARN Cc1ccc(OCCn2cncn2)c([N+](=O)[O-])c1 ZINC000000618241 187408849 /nfs/dbraw/zinc/40/88/49/187408849.db2.gz ZWCCMAGAOPVIGE-UHFFFAOYSA-N 0 0 248.242 1.574 50 5 BDBARN Cc1ccnc(-n2ccnc2)c1[N+](=O)[O-] ZINC000070497255 191003716 /nfs/dbraw/zinc/00/37/16/191003716.db2.gz ISBJODOTXYSYOL-UHFFFAOYSA-N 0 0 204.189 1.484 50 5 BDBARN Cc1nc2cc3c(cc2c(=O)o1)nc(C)oc3=O ZINC000000375180 180086584 /nfs/dbraw/zinc/08/65/84/180086584.db2.gz MNHSAWSMVMHWPN-UHFFFAOYSA-N 0 0 244.206 1.306 50 5 biogenic BDBARN Cc1nc2cc([N+](=O)[O-])ccc2n1CCO ZINC000000236893 180087681 /nfs/dbraw/zinc/08/76/81/180087681.db2.gz CHMVSMUFSDELJB-UHFFFAOYSA-N 0 0 221.216 1.245 50 5 BDBARN Cc1nc2ncc3c4ccnn4ccc3n2n1 ZINC000095115674 180114891 /nfs/dbraw/zinc/11/48/91/180114891.db2.gz RRQSASPHXXKLLA-UHFFFAOYSA-N 0 0 224.227 1.234 50 5 BDBARN Cc1nn(C(=O)c2ccccc2F)cc1[N+](=O)[O-] ZINC000000077063 180332555 /nfs/dbraw/zinc/33/25/55/180332555.db2.gz RHDAIJYAWAPREM-UHFFFAOYSA-N 0 0 249.201 1.927 50 5 BDBARN Cc1nn(C)c(N2CCCC2)c1[N+](=O)[O-] ZINC000047330884 180355228 /nfs/dbraw/zinc/35/52/28/180355228.db2.gz YNYJQTIYDPPGSZ-UHFFFAOYSA-N 0 0 210.237 1.237 50 5 BDBARN Cc1nnc2ccc([N+](=O)[O-])cc2c1N ZINC000004552233 180448855 /nfs/dbraw/zinc/44/88/55/180448855.db2.gz KPIXFCYJFVOTCC-UHFFFAOYSA-N 0 0 204.189 1.429 50 5 BDBARN CS/C(=C/[N+](=O)[O-])NC(=O)c1ccccc1 ZINC000000385704 188099499 /nfs/dbraw/zinc/09/94/99/188099499.db2.gz JLOLYBMOWPJTJA-VQHVLOKHSA-N 0 0 238.268 1.855 50 5 BDBARN O=[N+]([O-])c1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000036154825 188104227 /nfs/dbraw/zinc/10/42/27/188104227.db2.gz SGUCKOYGKLBSOC-JTQLQIEISA-N 0 0 208.217 1.256 50 5 BDBARN CC1(C)Oc2cccc([N+](=O)[O-])c2NC1=O ZINC000071405346 188113911 /nfs/dbraw/zinc/11/39/11/188113911.db2.gz SYDFLNCVEDQAFJ-UHFFFAOYSA-N 0 0 222.200 1.704 50 5 BDBARN COc1cc(Br)cc([N+](=O)[O-])c1N ZINC000057353810 188127320 /nfs/dbraw/zinc/12/73/20/188127320.db2.gz OFIIFSJGHGCQHO-UHFFFAOYSA-N 0 0 247.048 1.948 50 5 BDBARN CONC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000025820934 353291996 /nfs/dbraw/zinc/29/19/96/353291996.db2.gz JNXMFUPSXVQWHA-UHFFFAOYSA-N 0 0 210.189 1.194 50 5 BDBARN O=[N+]([O-])c1ccc(COn2ccnc2)cc1 ZINC000001405633 353375349 /nfs/dbraw/zinc/37/53/49/353375349.db2.gz MFADXKNVDJROIG-UHFFFAOYSA-N 0 0 219.200 1.420 50 5 BDBARN NC(=O)CCCOc1ccccc1[N+](=O)[O-] ZINC000033433678 181222605 /nfs/dbraw/zinc/22/26/05/181222605.db2.gz XLDACNKJXAPRKL-UHFFFAOYSA-N 0 0 224.216 1.239 50 5 BDBARN COc1cc2c(=O)cc[nH]c2c([N+](=O)[O-])c1 ZINC000075283029 356939538 /nfs/dbraw/zinc/93/95/38/356939538.db2.gz SVQQGTBMJZESTI-UHFFFAOYSA-N 0 0 220.184 1.445 50 5 BDBARN O=c1ccc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000026420366 357097994 /nfs/dbraw/zinc/09/79/94/357097994.db2.gz IKBFYMXTFYZVAS-UHFFFAOYSA-N 0 0 217.184 1.345 50 5 BDBARN NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000000567063 181293443 /nfs/dbraw/zinc/29/34/43/181293443.db2.gz XEXLVJPVLGTROT-UHFFFAOYSA-N 0 0 245.032 1.456 50 5 BDBARN CONC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000013024301 358206274 /nfs/dbraw/zinc/20/62/74/358206274.db2.gz ODJNVADVHMCZJR-UHFFFAOYSA-N 0 0 210.189 1.194 50 5 BDBARN O=[N+]([O-])c1cnc(N2CCC2)nc1NC1CC1 ZINC000026701010 358714992 /nfs/dbraw/zinc/71/49/92/358714992.db2.gz FEHDQJSKINPHOP-UHFFFAOYSA-N 0 0 235.247 1.169 50 5 BDBARN CC[C@H]1Oc2ccc([N+](=O)[O-])cc2NC1=O ZINC000039332601 359621678 /nfs/dbraw/zinc/62/16/78/359621678.db2.gz LPYHRYFOSFRFGE-MRVPVSSYSA-N 0 0 222.200 1.704 50 5 BDBARN NC(=O)c1ccc2cccc([N+](=O)[O-])c2n1 ZINC000045895575 181302129 /nfs/dbraw/zinc/30/21/29/181302129.db2.gz GXTOIZYHYAGDQE-UHFFFAOYSA-N 0 0 217.184 1.242 50 5 BDBARN Cc1ccc(NC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000002170968 363848570 /nfs/dbraw/zinc/84/85/70/363848570.db2.gz ZGUAANUOYYFJEK-UHFFFAOYSA-N 0 0 223.232 1.997 50 5 BDBARN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC1 ZINC000077323913 370410471 /nfs/dbraw/zinc/41/04/71/370410471.db2.gz HRPGIFVGIMLDFT-UHFFFAOYSA-N 0 0 224.191 1.580 50 5 BDBARN Cn1cc(-c2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC000113693624 370453479 /nfs/dbraw/zinc/45/34/79/370453479.db2.gz MLZZWCHKOFFIBF-UHFFFAOYSA-N 0 0 218.216 1.578 50 5 BDBARN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2O)n1 ZINC000040517236 373403017 /nfs/dbraw/zinc/40/30/17/373403017.db2.gz DSPUTYZFIRGJDL-SFYZADRCSA-N 0 0 211.221 1.267 50 5 BDBARN O=C(NCc1ccccc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000003833277 182257032 /nfs/dbraw/zinc/25/70/32/182257032.db2.gz ZHMQTMYBLOOCFG-UHFFFAOYSA-N 0 0 246.226 1.248 50 5 BDBARN O=C1CCc2cc([N+](=O)[O-])c(F)cc2N1 ZINC000032625169 182756307 /nfs/dbraw/zinc/75/63/07/182756307.db2.gz KKIGZYNYRMWCLY-UHFFFAOYSA-N 0 0 210.164 1.619 50 5 BDBARN O=Cc1ccc(Cn2cc([N+](=O)[O-])cn2)o1 ZINC000002505988 182868118 /nfs/dbraw/zinc/86/81/18/182868118.db2.gz IORXPXHWLUWMKB-UHFFFAOYSA-N 0 0 221.172 1.245 50 5 BDBARN O=[N+]([O-])c1ccncc1N1CCSC1 ZINC000169725785 182955062 /nfs/dbraw/zinc/95/50/62/182955062.db2.gz KJLPJSAVEORILH-UHFFFAOYSA-N 0 0 211.246 1.501 50 5 BDBARN O=[N+]([O-])c1cccnc1OC[C@@H]1CCCCO1 ZINC000067802476 182953270 /nfs/dbraw/zinc/95/32/70/182953270.db2.gz VUTVSWRKFGCLRI-VIFPVBQESA-N 0 0 238.243 1.938 50 5 BDBARN O=[N+]([O-])c1cn(Cc2noc3c2CCCC3)cn1 ZINC000071888719 383935909 /nfs/dbraw/zinc/93/59/09/383935909.db2.gz PGSZSTKEMNOFGN-UHFFFAOYSA-N 0 0 248.242 1.706 50 5 BDBARN O=CNc1nc(-c2ccc([N+](=O)[O-])o2)cs1 ZINC000004426761 384366505 /nfs/dbraw/zinc/36/65/05/384366505.db2.gz ZQBWQLJJMGJREB-UHFFFAOYSA-N 0 0 239.212 1.880 50 5 BDBARN Cc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000071790362 384699781 /nfs/dbraw/zinc/69/97/81/384699781.db2.gz AHLSIJYTTLZBJB-UHFFFAOYSA-N 0 0 222.200 1.860 50 5 BDBARN CNc1ccc2c(nc(C)n2C)c1[N+](=O)[O-] ZINC000005331169 385027498 /nfs/dbraw/zinc/02/74/98/385027498.db2.gz MMBANLXKIRCKMI-UHFFFAOYSA-N 0 0 220.232 1.832 50 5 BDBARN C[C@H](CO)CSc1ccc([N+](=O)[O-])cn1 ZINC000072301740 385097930 /nfs/dbraw/zinc/09/79/30/385097930.db2.gz KIEWDMQVLWBCHN-SSDOTTSWSA-N 0 0 228.273 1.710 50 5 BDBARN Nc1cccc([N+](=O)[O-])c1Br ZINC000034321082 385150683 /nfs/dbraw/zinc/15/06/83/385150683.db2.gz GDKBUWQOCGJBFX-UHFFFAOYSA-N 0 0 217.022 1.940 50 5 BDBARN Cc1cnc(N(C)C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000085427047 385176340 /nfs/dbraw/zinc/17/63/40/385176340.db2.gz ZOVLPNLRNDJUAL-MRVPVSSYSA-N 0 0 225.248 1.115 50 5 BDBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCOC1=O ZINC000000484690 385375290 /nfs/dbraw/zinc/37/52/90/385375290.db2.gz TUYKSEKAURPJNM-UHFFFAOYSA-N 0 0 236.183 1.187 50 5 BDBARN O=Cc1csc(Cn2cc([N+](=O)[O-])cn2)c1 ZINC000015106304 385690172 /nfs/dbraw/zinc/69/01/72/385690172.db2.gz MTFQZSMAQKPCFI-UHFFFAOYSA-N 0 0 237.240 1.714 50 5 BDBARN CNc1ccc(C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000012740261 386227895 /nfs/dbraw/zinc/22/78/95/386227895.db2.gz KYJSYOWZCPAHDB-UHFFFAOYSA-N 0 0 249.270 1.873 50 5 BDBARN Cn1ncc([N+](=O)[O-])c1C(=O)c1ccccc1 ZINC000001314656 386397555 /nfs/dbraw/zinc/39/75/55/386397555.db2.gz PNBIMJILRTULFZ-UHFFFAOYSA-N 0 0 231.211 1.559 50 5 BDBARN CCONC(=O)c1ccc([N+](=O)[O-])s1 ZINC000012751824 386693123 /nfs/dbraw/zinc/69/31/23/386693123.db2.gz QGFOVPGLNQWVQW-UHFFFAOYSA-N 0 0 216.218 1.338 50 5 BDBARN COCOCCCNc1ncccc1[N+](=O)[O-] ZINC000521398400 387925893 /nfs/dbraw/zinc/92/58/93/387925893.db2.gz DKJLZTCBOQVVKZ-UHFFFAOYSA-N 0 0 241.247 1.412 50 5 BDBARN COC[C@H](O)CNc1cccc(C)c1[N+](=O)[O-] ZINC000170602858 388242240 /nfs/dbraw/zinc/24/22/40/388242240.db2.gz AMLIZLMIOPEETO-SECBINFHSA-N 0 0 240.259 1.322 50 5 BDBARN Cc1cn(-c2cccc([N+](=O)[O-])c2)c(=O)[nH]1 ZINC000162730983 388360468 /nfs/dbraw/zinc/36/04/68/388360468.db2.gz ZVJVFXJKWXFMQN-UHFFFAOYSA-N 0 0 219.200 1.382 50 5 BDBARN O=C1OCCN1c1ccc([N+](=O)[O-])cc1 ZINC000008716946 388406855 /nfs/dbraw/zinc/40/68/55/388406855.db2.gz HQHDWXOWQVUKNQ-UHFFFAOYSA-N 0 0 208.173 1.551 50 5 BDBARN Nc1c(O)cc(Br)cc1[N+](=O)[O-] ZINC000141897913 388410926 /nfs/dbraw/zinc/41/09/26/388410926.db2.gz XMJNQKQINSXSHA-UHFFFAOYSA-N 0 0 233.021 1.645 50 5 BDBARN CC(C)(C)NC(=O)Cc1ccc([N+](=O)[O-])cn1 ZINC000065337539 388676785 /nfs/dbraw/zinc/67/67/85/388676785.db2.gz CNEIYPZSICGVHK-UHFFFAOYSA-N 0 0 237.259 1.447 50 5 BDBARN C[C@@H](O)[C@@H](C)Sc1ncccc1[N+](=O)[O-] ZINC000078582361 388682876 /nfs/dbraw/zinc/68/28/76/388682876.db2.gz WNZURCNLMNEWTC-RNFRBKRXSA-N 0 0 228.273 1.851 50 5 BDBARN Cn1ccc(-c2ccccc2[N+](=O)[O-])n1 ZINC000091696020 388648704 /nfs/dbraw/zinc/64/87/04/388648704.db2.gz VQCALXVUMSAFLK-UHFFFAOYSA-N 0 0 203.201 1.995 50 5 BDBARN CN(CC(C)(C)O)c1ncccc1[N+](=O)[O-] ZINC000078727689 388738075 /nfs/dbraw/zinc/73/80/75/388738075.db2.gz QRAHMUNZGCYUCR-UHFFFAOYSA-N 0 0 225.248 1.197 50 5 BDBARN O=[N+]([O-])C1C[C@@H]1c1nc(-c2ccccn2)no1 ZINC000078773853 388739179 /nfs/dbraw/zinc/73/91/79/388739179.db2.gz KXLAALQGXPRWOC-POYBYMJQSA-N 0 0 232.199 1.264 50 5 BDBARN CC(C)CCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000012284972 388716117 /nfs/dbraw/zinc/71/61/17/388716117.db2.gz RNIHHEIFJLWFDZ-UHFFFAOYSA-N 0 0 226.236 1.094 50 5 BDBARN CCC[C@H](CC(=O)OCC)C[N+](=O)[O-] ZINC000096032261 388805522 /nfs/dbraw/zinc/80/55/22/388805522.db2.gz CRUVGEHKMFFRSF-MRVPVSSYSA-N 0 0 203.238 1.633 50 5 BDBARN O=[N+]([O-])c1ccc(N2CCC[C@@H](CO)C2)nc1 ZINC000019757817 132326256 /nfs/dbraw/zinc/32/62/56/132326256.db2.gz JUHTWNDQTIGHFJ-SECBINFHSA-N 0 0 237.259 1.199 50 5 BDBARN CC(C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000054055827 167087398 /nfs/dbraw/zinc/08/73/98/167087398.db2.gz GGQMFEGCXQBIAF-UHFFFAOYSA-N 0 0 226.207 1.872 50 5 BDBARN CC1CCC(O)(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000095974748 168167087 /nfs/dbraw/zinc/16/70/87/168167087.db2.gz VMKNZMLATMEIAM-UHFFFAOYSA-N 0 0 239.275 1.733 50 5 BDBARN CCC(=O)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000000185153 168209902 /nfs/dbraw/zinc/20/99/02/168209902.db2.gz SGCAVRWAYDAZQQ-LLVKDONJSA-N 0 0 223.228 1.997 50 5 BDBARN CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000000219896 170042480 /nfs/dbraw/zinc/04/24/80/170042480.db2.gz AHRMWHXLRKSNJE-VMPITWQZSA-N 0 0 220.228 1.744 50 5 BDBARN CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000043466572 170084316 /nfs/dbraw/zinc/08/43/16/170084316.db2.gz GELCFHWTRFWAHP-UHFFFAOYSA-N 0 0 239.231 1.745 50 5 BDBARN CCOC(=O)Cc1c(F)cc(F)cc1[N+](=O)[O-] ZINC000263623638 170235391 /nfs/dbraw/zinc/23/53/91/170235391.db2.gz JFPYFSFHJNAVPH-UHFFFAOYSA-N 0 0 245.181 1.979 50 5 BDBARN CCOC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000034425467 170235971 /nfs/dbraw/zinc/23/59/71/170235971.db2.gz GVSTWFAYXHCBTH-UHFFFAOYSA-N 0 0 209.201 1.700 50 5 BDBARN CCOC(=O)Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000001300495 170237486 /nfs/dbraw/zinc/23/74/86/170237486.db2.gz PJYGVEZLPZKIHO-UHFFFAOYSA-N 0 0 233.611 1.008 50 5 BDBARN CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC000000157339 170301701 /nfs/dbraw/zinc/30/17/01/170301701.db2.gz RJGYARAKIVLQAQ-UHFFFAOYSA-N 0 0 230.607 1.820 50 5 BDBARN CCn1cc([N+](=O)[O-])c(C(F)(F)F)n1 ZINC000095098689 172198927 /nfs/dbraw/zinc/19/89/27/172198927.db2.gz GRKYSWOYJBJDNH-UHFFFAOYSA-N 0 0 209.127 1.830 50 5 BDBARN CNC(=O)COc1ccc(C)cc1[N+](=O)[O-] ZINC000004842379 173279203 /nfs/dbraw/zinc/27/92/03/173279203.db2.gz CAFQKEZRELFCBH-UHFFFAOYSA-N 0 0 224.216 1.028 50 5 BDBARN CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000019274366 173309615 /nfs/dbraw/zinc/30/96/15/173309615.db2.gz CKCQLHDNVOCCCN-UHFFFAOYSA-N 0 0 214.608 1.608 50 5 BDBARN COC(=O)c1cc(F)cc([N+](=O)[O-])c1F ZINC000035333532 173859177 /nfs/dbraw/zinc/85/91/77/173859177.db2.gz LASMPKWBIDRHAC-UHFFFAOYSA-N 0 0 217.127 1.660 50 5 BDBARN COCCOc1cc([N+](=O)[O-])ccc1C ZINC000077910365 174367368 /nfs/dbraw/zinc/36/73/68/174367368.db2.gz IVPCOUURCGCOTB-UHFFFAOYSA-N 0 0 211.217 1.928 50 5 BDBARN COC[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000456529 174546251 /nfs/dbraw/zinc/54/62/51/174546251.db2.gz RILFCHKBYUGTPR-QMMMGPOBSA-N 0 0 238.243 1.360 50 5 BDBARN COCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000045070498 174627426 /nfs/dbraw/zinc/62/74/26/174627426.db2.gz LKWHHEVMTRZHSB-UHFFFAOYSA-N 0 0 212.161 1.649 50 5 BDBARN COc1c(C(C)=O)cc(F)cc1[N+](=O)[O-] ZINC000002511065 174919131 /nfs/dbraw/zinc/91/91/31/174919131.db2.gz CGXAFFIPBXAFCZ-UHFFFAOYSA-N 0 0 213.164 1.945 50 5 BDBARN COc1cc([N+](=O)[O-])c2[nH]cccc-2c1=O ZINC000005607241 175017885 /nfs/dbraw/zinc/01/78/85/175017885.db2.gz QAICTYKDANKDKI-UHFFFAOYSA-N 0 0 220.184 1.857 50 5 BDBARN COc1ccc([N+](=O)[O-])cc1[C@H]1NCCS1 ZINC000019799896 175201261 /nfs/dbraw/zinc/20/12/61/175201261.db2.gz CJQXHJXRUMTNGT-JTQLQIEISA-N 0 0 240.284 1.938 50 5 BDBARN COc1ccc2[nH]cc(C=O)c2c1[N+](=O)[O-] ZINC000096034525 175201768 /nfs/dbraw/zinc/20/17/68/175201768.db2.gz PHASPLYITRWNHW-UHFFFAOYSA-N 0 0 220.184 1.897 50 5 BDBARN COc1cccc2cc([N+](=O)[O-])c(=O)oc21 ZINC000000339688 175307227 /nfs/dbraw/zinc/30/72/27/175307227.db2.gz QNUXDVHLEIGXAA-UHFFFAOYSA-N 0 0 221.168 1.710 50 5 BDBARN COC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000447106 491133184 /nfs/dbraw/zinc/13/31/84/491133184.db2.gz FTXSTHBPUMZTAC-MRVPVSSYSA-N 0 0 238.243 1.360 50 5 BDBARN O=[N+]([O-])OC12C[C@@H]3C[C@H](C1)CC([N+](=O)[O-])(C3)C2 ZINC000016513311 642978094 /nfs/dbraw/zinc/97/80/94/642978094.db2.gz YGRYMFYQGBUMTJ-BQKDNTBBSA-N 0 0 242.231 1.563 50 5 BDBARN Cc1cc(NCc2ccncn2)ncc1[N+](=O)[O-] ZINC000235861549 178174891 /nfs/dbraw/zinc/17/48/91/178174891.db2.gz WKEZDPCIXBGPAA-UHFFFAOYSA-N 0 0 245.242 1.700 50 5 BDBARN Cc1cc([N+](=O)[O-])cc2c1NC(=O)C2=O ZINC000003995906 178271566 /nfs/dbraw/zinc/27/15/66/178271566.db2.gz VREHMPHOKRQMFE-UHFFFAOYSA-N 0 0 206.157 1.038 50 5 BDBARN Cc1cc([N+](=O)[O-])cnc1N1CCCO1 ZINC000195560370 178273592 /nfs/dbraw/zinc/27/35/92/178273592.db2.gz NAPNEHYQTRVSNF-UHFFFAOYSA-N 0 0 209.205 1.440 50 5 BDBARN Cc1cc2ncc(-n3cc([N+](=O)[O-])cn3)cn2n1 ZINC000004809613 178304071 /nfs/dbraw/zinc/30/40/71/178304071.db2.gz HDUFMFCZXMXSAK-UHFFFAOYSA-N 0 0 244.214 1.132 50 5 BDBARN Cn1cnnc1-c1cccc([N+](=O)[O-])c1 ZINC000000124794 342675709 /nfs/dbraw/zinc/67/57/09/342675709.db2.gz QXWWRCQULISQCV-UHFFFAOYSA-N 0 0 204.189 1.390 50 5 BDBARN COC(=O)c1ccsc1/C=C/[N+](=O)[O-] ZINC000000334276 342683663 /nfs/dbraw/zinc/68/36/63/342683663.db2.gz VFLXYWVXWUGXGU-DUXPYHPUSA-N 0 0 213.214 1.782 50 5 BDBARN Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000002379297 342719242 /nfs/dbraw/zinc/71/92/42/342719242.db2.gz PITHQPMZWKZGRZ-UHFFFAOYSA-N 0 0 217.022 1.940 50 5 BDBARN COC(=O)[C@@H](C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000002534362 342779058 /nfs/dbraw/zinc/77/90/58/342779058.db2.gz MMGXQXXLOJZPHS-LURJTMIESA-N 0 0 241.247 1.217 50 5 BDBARN CN(C)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000004499256 342875189 /nfs/dbraw/zinc/87/51/89/342875189.db2.gz WVNFNDMQVLUXPB-UHFFFAOYSA-N 0 0 211.177 1.569 50 5 BDBARN O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)OCC2 ZINC000016123690 342906566 /nfs/dbraw/zinc/90/65/66/342906566.db2.gz NDLMVUTUPSDFML-UHFFFAOYSA-N 0 0 210.145 1.438 50 5 BDBARN O=[N+]([O-])c1ccc(N2CC[C@@H](O)C2)c(F)c1 ZINC000061707447 398343658 /nfs/dbraw/zinc/34/36/58/398343658.db2.gz QENGWXHQBHRUCG-MRVPVSSYSA-N 0 0 226.207 1.305 50 5 BDBARN Cc1[nH]c(Br)nc1[N+](=O)[O-] ZINC000032190362 343230564 /nfs/dbraw/zinc/23/05/64/343230564.db2.gz GOKBPGXXQSCLLS-UHFFFAOYSA-N 0 0 205.999 1.389 50 5 BDBARN O=[N+]([O-])c1ccc(CO)c(Br)c1 ZINC000037460598 343345923 /nfs/dbraw/zinc/34/59/23/343345923.db2.gz SKFLKCLXNZFRNN-UHFFFAOYSA-N 0 0 232.033 1.850 50 5 BDBARN Cn1c2cc(Cl)c([N+](=O)[O-])cc2n(C)c1=O ZINC000004769707 344187435 /nfs/dbraw/zinc/18/74/35/344187435.db2.gz LWWKJTPDNAEDJA-UHFFFAOYSA-N 0 0 241.634 1.439 50 5 BDBARN Cn1c(C[C@H](O)c2ccccc2)ncc1[N+](=O)[O-] ZINC000003091271 344441753 /nfs/dbraw/zinc/44/17/53/344441753.db2.gz XEJAYLYHPVQENE-JTQLQIEISA-N 0 0 247.254 1.604 50 5 BDBARN O=[N+]([O-])c1cccc([C@H]2NCCc3nc[nH]c32)c1 ZINC000000197259 344614056 /nfs/dbraw/zinc/61/40/56/344614056.db2.gz DBEFCWICFAVKKV-LLVKDONJSA-N 0 0 244.254 1.553 50 5 biogenic BDBARN Cn1cc([N+](=O)[O-])c(C(=O)c2ccccc2)n1 ZINC000000247308 344659847 /nfs/dbraw/zinc/65/98/47/344659847.db2.gz HIUCABRWQSMNDO-UHFFFAOYSA-N 0 0 231.211 1.559 50 5 BDBARN O=[N+]([O-])c1ccc(OCCCn2ccnn2)cc1 ZINC000128033288 344719498 /nfs/dbraw/zinc/71/94/98/344719498.db2.gz RUUIWSBGSQTVCA-UHFFFAOYSA-N 0 0 248.242 1.655 50 5 BDBARN COC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000000376579 344733710 /nfs/dbraw/zinc/73/37/10/344733710.db2.gz BEUKWVINOACFCF-UHFFFAOYSA-N 0 0 226.188 1.782 50 5 BDBARN Cc1cccc(C(=O)NC2CC2)c1[N+](=O)[O-] ZINC000017120819 179014280 /nfs/dbraw/zinc/01/42/80/179014280.db2.gz FWJGVJQFFQXUSV-UHFFFAOYSA-N 0 0 220.228 1.795 50 5 BDBARN Cn1cnn2cc(-c3ccc([N+](=O)[O-])cc3)nc12 ZINC000005626189 346287341 /nfs/dbraw/zinc/28/73/41/346287341.db2.gz NDSJDSDYZZKPBL-UHFFFAOYSA-N 0 0 243.226 1.643 50 5 BDBARN O=[N+]([O-])c1cn(-c2cccc(O)c2)cn1 ZINC000000230009 346403135 /nfs/dbraw/zinc/40/31/35/346403135.db2.gz FKBXJISOABTWPR-UHFFFAOYSA-N 0 0 205.173 1.486 50 5 BDBARN CCn1ncc([N+](=O)[O-])c1C(=O)N1CCCC1 ZINC000000355936 187408568 /nfs/dbraw/zinc/40/85/68/187408568.db2.gz NQMKUVIACIXSAG-UHFFFAOYSA-N 0 0 238.247 1.047 50 5 BDBARN Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2n1C ZINC000004321150 180086531 /nfs/dbraw/zinc/08/65/31/180086531.db2.gz ZREWNWYVZUFYFV-UHFFFAOYSA-N 0 0 236.187 1.698 50 5 BDBARN Cc1nc2c(c(N)nn2C)c(C)c1[N+](=O)[O-] ZINC000004743186 180068942 /nfs/dbraw/zinc/06/89/42/180068942.db2.gz KYIZYSOAUSPUDI-UHFFFAOYSA-N 0 0 221.220 1.076 50 5 BDBARN Cn1c2ccccc2n2c3nnc(S)n3nc12 ZINC000033373571 350231192 /nfs/dbraw/zinc/23/11/92/350231192.db2.gz PLCSNEHXTXAKHS-UHFFFAOYSA-N 0 0 244.283 1.157 50 5 BDBARN CCOC(=O)c1cc(NC)c(F)cc1[N+](=O)[O-] ZINC000725261646 538086591 /nfs/dbraw/zinc/08/65/91/538086591.db2.gz ADKWJBZHIQUIPZ-UHFFFAOYSA-N 0 0 242.206 1.952 50 5 BDBARN Cc1nn2c([nH]c1=O)c1ccccc1nc2=S ZINC000012536956 180393434 /nfs/dbraw/zinc/39/34/34/180393434.db2.gz WSLXGNBYDYVUKE-UHFFFAOYSA-N 0 0 244.279 1.609 50 5 BDBARN Cc1nn(CC(F)(F)F)cc1[N+](=O)[O-] ZINC000072334098 180386072 /nfs/dbraw/zinc/38/60/72/180386072.db2.gz KFFATVDPKIIPFY-UHFFFAOYSA-N 0 0 209.127 1.662 50 5 BDBARN Cn1cc([N+](=O)[O-])cc1C(=O)OC(C)(C)C ZINC000002566826 180675237 /nfs/dbraw/zinc/67/52/37/180675237.db2.gz LUCCDDXLASSKID-UHFFFAOYSA-N 0 0 226.232 1.889 50 5 BDBARN Cn1cnc2c1c([N+](=O)[O-])c[nH]c2=S ZINC000000523339 180773413 /nfs/dbraw/zinc/77/34/13/180773413.db2.gz RLIZVBVVPDYHOS-UHFFFAOYSA-N 0 0 210.218 1.539 50 5 BDBARN CC(=O)Nc1c(F)c(F)c(F)cc1[N+](=O)[O-] ZINC000004280542 188156550 /nfs/dbraw/zinc/15/65/50/188156550.db2.gz ANGFIVJDHLSXMW-UHFFFAOYSA-N 0 0 234.133 1.971 50 5 BDBARN CC(=O)c1nc2cc([N+](=O)[O-])ccc2n1C ZINC000000292960 188158691 /nfs/dbraw/zinc/15/86/91/188158691.db2.gz OZADMKPJFCFNAD-UHFFFAOYSA-N 0 0 219.200 1.684 50 5 BDBARN N#CCN(CC#N)C(=O)c1ccccc1[N+](=O)[O-] ZINC000000103199 181040647 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/nfs/dbraw/zinc/72/45/68/361724568.db2.gz BQDCKEYSOFYOKS-SECBINFHSA-N 0 0 213.208 1.914 50 5 BDBARN O=c1[nH]cnc2c3cc(Cl)ccc3nnc12 ZINC000075278884 364341448 /nfs/dbraw/zinc/34/14/48/364341448.db2.gz VPIAESSPXDXYFP-UHFFFAOYSA-N 0 0 232.630 1.932 50 5 BDBARN O=[N+]([O-])c1cccnc1OCC(F)(F)F ZINC000012399020 370864761 /nfs/dbraw/zinc/86/47/61/370864761.db2.gz CJWUDNDQJKTOOD-UHFFFAOYSA-N 0 0 222.122 1.931 50 5 BDBARN COCOc1ccc(F)c([N+](=O)[O-])c1 ZINC000200333891 368397882 /nfs/dbraw/zinc/39/78/82/368397882.db2.gz DPIUHNJYFGMCPZ-UHFFFAOYSA-N 0 0 201.153 1.717 50 5 BDBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000002566694 371585873 /nfs/dbraw/zinc/58/58/73/371585873.db2.gz VIPIQYQJPCFIER-UHFFFAOYSA-N 0 0 220.228 1.831 50 5 BDBARN O=C1CCCN1Nc1ccc([N+](=O)[O-])cc1 ZINC000004015136 372116953 /nfs/dbraw/zinc/11/69/53/372116953.db2.gz SXZXTPKDBRRPKC-UHFFFAOYSA-N 0 0 221.216 1.544 50 5 BDBARN O=C(COc1ccccc1[N+](=O)[O-])NC1CC1 ZINC000003382298 182004217 /nfs/dbraw/zinc/00/42/17/182004217.db2.gz 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Cc1ccc([C@@H]2NC(=O)CC[C@H]2[N+](=O)[O-])cc1 ZINC000000099339 384297664 /nfs/dbraw/zinc/29/76/64/384297664.db2.gz DLQZVKNZVDCCIV-PWSUYJOCSA-N 0 0 234.255 1.591 50 5 BDBARN CC(=O)Nc1cc(F)c(F)cc1[N+](=O)[O-] ZINC000004348056 384325936 /nfs/dbraw/zinc/32/59/36/384325936.db2.gz OJFQFPPFAFOXAQ-UHFFFAOYSA-N 0 0 216.143 1.831 50 5 BDBARN CC(=O)Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000039249378 384394788 /nfs/dbraw/zinc/39/47/88/384394788.db2.gz HILZPWHMDLGSTO-UHFFFAOYSA-N 0 0 225.160 1.461 50 5 BDBARN CNC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC000048430639 384489566 /nfs/dbraw/zinc/48/95/66/384489566.db2.gz PYGKOUDMIQDHME-UHFFFAOYSA-N 0 0 223.232 1.020 50 5 BDBARN Cn1cc([N+](=O)[O-])c(NCc2ccccc2)n1 ZINC000095098553 384825327 /nfs/dbraw/zinc/82/53/27/384825327.db2.gz YQWSTXQBFYDVSM-UHFFFAOYSA-N 0 0 232.243 1.940 50 5 BDBARN COC(=O)c1c(F)ccc(F)c1[N+](=O)[O-] ZINC000328578050 384849042 /nfs/dbraw/zinc/84/90/42/384849042.db2.gz PSZJMAZVCNQMSH-UHFFFAOYSA-N 0 0 217.127 1.660 50 5 BDBARN 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ZINC000004828731 173488073 /nfs/dbraw/zinc/48/80/73/173488073.db2.gz YRBQDULVDYBVJF-UHFFFAOYSA-N 0 0 238.159 1.686 50 5 BDBARN COC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000035333545 173861257 /nfs/dbraw/zinc/86/12/57/173861257.db2.gz CRSPPWMPFLPNON-UHFFFAOYSA-N 0 0 241.199 1.399 50 5 BDBARN COCCCCn1cc([N+](=O)[O-])c(C)cc1=O ZINC000095416418 174210256 /nfs/dbraw/zinc/21/02/56/174210256.db2.gz YJNOYRJCWNCFEA-UHFFFAOYSA-N 0 0 240.259 1.492 50 5 BDBARN COCCCN(C)c1ccc([N+](=O)[O-])cn1 ZINC000066372037 174219743 /nfs/dbraw/zinc/21/97/43/174219743.db2.gz MIACURHAVYWQOW-UHFFFAOYSA-N 0 0 225.248 1.463 50 5 BDBARN COCCOc1cccc(F)c1[N+](=O)[O-] ZINC000054268909 174370308 /nfs/dbraw/zinc/37/03/08/174370308.db2.gz SWHNFGFHPPSJAP-UHFFFAOYSA-N 0 0 215.180 1.759 50 5 BDBARN CONC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004660888 174666622 /nfs/dbraw/zinc/66/66/22/174666622.db2.gz ZIRPDPWCKIZCEJ-UHFFFAOYSA-N 0 0 211.177 1.278 50 5 BDBARN COc1cc(/C=C/[N+](=O)[O-])cc(OC)c1OC ZINC000000071267 174941495 /nfs/dbraw/zinc/94/14/95/174941495.db2.gz PEPYBEJQAIGLRE-SNAWJCMRSA-N 0 0 239.227 1.960 50 5 BDBARN COc1cc([N+](=O)[O-])c(Cl)cc1N ZINC000004280666 175018020 /nfs/dbraw/zinc/01/80/20/175018020.db2.gz POKAEVPBUOLQIY-UHFFFAOYSA-N 0 0 202.597 1.839 50 5 BDBARN COc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000000834232 175058430 /nfs/dbraw/zinc/05/84/30/175058430.db2.gz CFUDUOQRESFDQN-UHFFFAOYSA-N 0 0 238.243 1.742 50 5 BDBARN COc1ccc([N+](=O)[O-])cc1NC(N)=S ZINC000002528160 175201096 /nfs/dbraw/zinc/20/10/96/175201096.db2.gz XIOYSXKDIDOGPF-UHFFFAOYSA-N 0 0 227.245 1.259 50 5 BDBARN COc1cccc(-n2cnc([N+](=O)[O-])c2)c1 ZINC000000281448 175239804 /nfs/dbraw/zinc/23/98/04/175239804.db2.gz IOKFORPKRALUDL-UHFFFAOYSA-N 0 0 219.200 1.789 50 5 BDBARN CSc1nnnn1-c1ccc([N+](=O)[O-])cc1 ZINC000000376954 175592689 /nfs/dbraw/zinc/59/26/89/175592689.db2.gz WEHOPKPODBIPGD-UHFFFAOYSA-N 0 0 237.244 1.292 50 5 BDBARN C[C@@H](O)c1nc2cc([N+](=O)[O-])ccc2n1C ZINC000000040102 176001066 /nfs/dbraw/zinc/00/10/66/176001066.db2.gz FEZKCWBNANSUJS-ZCFIWIBFSA-N 0 0 221.216 1.535 50 5 BDBARN C[C@H]1CC(=O)Nc2ccc([N+](=O)[O-])cc2N1C ZINC000004004777 177062991 /nfs/dbraw/zinc/06/29/91/177062991.db2.gz BEOZEQFRINONEL-ZETCQYMHSA-N 0 0 235.243 1.762 50 5 BDBARN C[C@H]1CN(c2ccc([N+](=O)[O-])s2)CCO1 ZINC000048275910 177277506 /nfs/dbraw/zinc/27/75/06/177277506.db2.gz NAMSIHWISBQROM-ZETCQYMHSA-N 0 0 228.273 1.881 50 5 BDBARN O=c1c2ccccc2nc2ccc(Cl)nn21 ZINC000000036433 491125602 /nfs/dbraw/zinc/12/56/02/491125602.db2.gz HLPUHRDKWNPCCO-UHFFFAOYSA-N 0 0 231.642 1.896 50 5 BDBARN CC(=O)N1CCOc2ccc([N+](=O)[O-])cc21 ZINC000072408195 534801778 /nfs/dbraw/zinc/80/17/78/534801778.db2.gz GYWWRZWGVRSDCE-UHFFFAOYSA-N 0 0 222.200 1.340 50 5 BDBARN Cc1cc(N(C)Cc2cn[nH]c2)ncc1[N+](=O)[O-] ZINC000952964108 644447479 /nfs/dbraw/zinc/44/74/79/644447479.db2.gz PFCGZWXTHYUDCV-UHFFFAOYSA-N 0 0 247.258 1.658 50 5 BDBARN COC[C@H](COc1cccnc1[N+](=O)[O-])OC ZINC000585118813 972150346 /nfs/dbraw/zinc/15/03/46/972150346.db2.gz CSVIJUINIRFLAL-MRVPVSSYSA-N 0 0 242.231 1.030 50 5 BDBARN Cc1cc(Cn2cccc([N+](=O)[O-])c2=O)no1 ZINC000225533662 178074220 /nfs/dbraw/zinc/07/42/20/178074220.db2.gz CNCZDJSYNMGUPT-UHFFFAOYSA-N 0 0 235.199 1.101 50 5 BDBARN Cc1cc(OC[C@@H]2CO2)ccc1[N+](=O)[O-] ZINC000000294810 178211791 /nfs/dbraw/zinc/21/17/91/178211791.db2.gz KPSRPFWGKNZDPP-SECBINFHSA-N 0 0 209.201 1.681 50 5 BDBARN Cc1cc(S(C)(=O)=O)cc([N+](=O)[O-])c1F ZINC000015443644 178217440 /nfs/dbraw/zinc/21/74/40/178217440.db2.gz XCPRPDSTHZGYMI-UHFFFAOYSA-N 0 0 233.220 1.446 50 5 BDBARN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C ZINC000030288766 178273226 /nfs/dbraw/zinc/27/32/26/178273226.db2.gz UQSYQOVKCAOROK-UHFFFAOYSA-N 0 0 244.272 1.154 50 5 BDBARN Cn1cnc([N+](=O)[O-])c1NCc1ccccc1 ZINC000004730316 343994984 /nfs/dbraw/zinc/99/49/84/343994984.db2.gz VKWNWCCWGABWCT-UHFFFAOYSA-N 0 0 232.243 1.940 50 5 BDBARN Cc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000016284597 178292598 /nfs/dbraw/zinc/29/25/98/178292598.db2.gz OMPYKGLOVBKBOF-UHFFFAOYSA-N 0 0 221.216 1.094 50 5 BDBARN Cc1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000000037047 342670621 /nfs/dbraw/zinc/67/06/21/342670621.db2.gz YGVUADRDPKKSRW-UHFFFAOYSA-N 0 0 218.216 1.543 50 5 BDBARN Cc1ccc2[nH]c3nc4nncn4nc3c2c1 ZINC000005730662 342769110 /nfs/dbraw/zinc/76/91/10/342769110.db2.gz RJHLKJWYPPOQKT-UHFFFAOYSA-N 0 0 224.227 1.462 50 5 BDBARN Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000050201380 539010476 /nfs/dbraw/zinc/01/04/76/539010476.db2.gz DVCARKVTBJEKCS-UHFFFAOYSA-N 0 0 221.216 1.069 50 5 BDBARN CNc1c2nonc2c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004093874 398328279 /nfs/dbraw/zinc/32/82/79/398328279.db2.gz AMAOKUYOEOYLFW-UHFFFAOYSA-N 0 0 239.147 1.081 50 5 BDBARN Cn1ccnc1Sc1ccc([N+](=O)[O-])cn1 ZINC000020031925 342966611 /nfs/dbraw/zinc/96/66/11/342966611.db2.gz WRRJMLGSGPKDCO-UHFFFAOYSA-N 0 0 236.256 1.875 50 5 BDBARN CC[C@H]1Oc2cc([N+](=O)[O-])ccc2NC1=O ZINC000020397435 343494382 /nfs/dbraw/zinc/49/43/82/343494382.db2.gz PHXBFTNCOJGKQH-MRVPVSSYSA-N 0 0 222.200 1.704 50 5 BDBARN Nc1ccnc(Br)c1[N+](=O)[O-] ZINC000044790190 343514801 /nfs/dbraw/zinc/51/48/01/343514801.db2.gz NHZOXEVQBKIVMY-UHFFFAOYSA-N 0 0 218.010 1.335 50 5 BDBARN CC(=O)Nc1c(C(C)=O)cccc1[N+](=O)[O-] ZINC000004795534 344247002 /nfs/dbraw/zinc/24/70/02/344247002.db2.gz DNSKVIATGDFXLO-UHFFFAOYSA-N 0 0 222.200 1.756 50 5 BDBARN Cc1cc(C)n(Cn2nc(C)c([N+](=O)[O-])c2C)n1 ZINC000002552469 344375056 /nfs/dbraw/zinc/37/50/56/344375056.db2.gz OLOSNBSVZWZCOS-UHFFFAOYSA-N 0 0 249.274 1.727 50 5 BDBARN O=c1[nH]cc([N+](=O)[O-])cc1C(F)(F)F ZINC000014611384 344522318 /nfs/dbraw/zinc/52/23/18/344522318.db2.gz BHUILUYFGJBXHQ-UHFFFAOYSA-N 0 0 208.095 1.714 50 5 BDBARN COC(=O)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000019046056 347054751 /nfs/dbraw/zinc/05/47/51/347054751.db2.gz ABJDBYCUWNTRFB-UHFFFAOYSA-N 0 0 213.164 1.449 50 5 BDBARN O=[N+]([O-])c1cccc([C@@H]2NCCc3nc[nH]c32)c1 ZINC000000197248 344613907 /nfs/dbraw/zinc/61/39/07/344613907.db2.gz DBEFCWICFAVKKV-NSHDSACASA-N 0 0 244.254 1.553 50 5 biogenic BDBARN COC(=O)c1cc([N+](=O)[O-])c(F)cc1OC ZINC000034081210 346190950 /nfs/dbraw/zinc/19/09/50/346190950.db2.gz LHAVJVZNGLTPCY-UHFFFAOYSA-N 0 0 229.163 1.529 50 5 BDBARN CCCCN(C)c1nc(N)ncc1[N+](=O)[O-] ZINC000005446013 346226807 /nfs/dbraw/zinc/22/68/07/346226807.db2.gz LMZZCLOUHFOSDL-UHFFFAOYSA-N 0 0 225.252 1.203 50 5 BDBARN O=[N+]([O-])c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000005567069 346255118 /nfs/dbraw/zinc/25/51/18/346255118.db2.gz FLBMBFIUCNKNSC-UHFFFAOYSA-N 0 0 226.144 1.274 50 5 BDBARN Cc1ccccc1Cn1cnc([N+](=O)[O-])n1 ZINC000004821204 179294997 /nfs/dbraw/zinc/29/49/97/179294997.db2.gz KCXQFPHFIWQJMQ-UHFFFAOYSA-N 0 0 218.216 1.543 50 5 BDBARN Cc1ccn(-c2[nH]nc(C)c2[N+](=O)[O-])n1 ZINC000006657322 179399489 /nfs/dbraw/zinc/39/94/89/179399489.db2.gz JVQQVKXTIHJKKW-UHFFFAOYSA-N 0 0 207.193 1.120 50 5 BDBARN CCCN(CC)c1cc(N)c([N+](=O)[O-])cn1 ZINC000669383052 538006955 /nfs/dbraw/zinc/00/69/55/538006955.db2.gz WMSGSXVDNILYEH-UHFFFAOYSA-N 0 0 224.264 1.808 50 5 BDBARN CCCN(C)c1cc(N)c([N+](=O)[O-])cn1 ZINC000669383004 538006962 /nfs/dbraw/zinc/00/69/62/538006962.db2.gz QLFQYYWSYYVCMK-UHFFFAOYSA-N 0 0 210.237 1.418 50 5 BDBARN O=[N+]([O-])c1ccn(Cc2ccc(F)cc2)n1 ZINC000000614319 348660523 /nfs/dbraw/zinc/66/05/23/348660523.db2.gz PYMBCEHDVUAFOI-UHFFFAOYSA-N 0 0 221.191 1.979 50 5 BDBARN Cc1nc(NC(=O)[C@H]2CC2[N+](=O)[O-])sc1C ZINC000047247874 180011773 /nfs/dbraw/zinc/01/17/73/180011773.db2.gz BWNHCDJOCXQLDN-NKWVEPMBSA-N 0 0 241.272 1.364 50 5 BDBARN Cn1ccc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000020286606 180679942 /nfs/dbraw/zinc/67/99/42/180679942.db2.gz FYIRDRMAQFLXCT-UHFFFAOYSA-N 0 0 203.201 1.995 50 5 BDBARN Cn1nccc1COc1ccccc1[N+](=O)[O-] ZINC000072209503 180847879 /nfs/dbraw/zinc/84/78/79/180847879.db2.gz MHEUGOJSSIBLKI-UHFFFAOYSA-N 0 0 233.227 1.907 50 5 BDBARN Cn1nnc(Sc2ccc([N+](=O)[O-])cc2)n1 ZINC000000332133 180862339 /nfs/dbraw/zinc/86/23/39/180862339.db2.gz XAHGOKLGWZBVOZ-UHFFFAOYSA-N 0 0 237.244 1.270 50 5 BDBARN O=Cc1ccc(SCCO)c([N+](=O)[O-])c1 ZINC000002838067 188275566 /nfs/dbraw/zinc/27/55/66/188275566.db2.gz XSYMXWCKFYGWDT-UHFFFAOYSA-N 0 0 227.241 1.492 50 5 BDBARN Nc1ccc(C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000017356291 363490574 /nfs/dbraw/zinc/49/05/74/363490574.db2.gz PJMAVOXODXGQSK-UHFFFAOYSA-N 0 0 235.243 1.413 50 5 BDBARN NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl ZINC000001669832 181292221 /nfs/dbraw/zinc/29/22/21/181292221.db2.gz GUDFEGXIJXTNJG-UHFFFAOYSA-N 0 0 245.578 1.255 50 5 BDBARN CC(C)CC(C)(C[N+](=O)[O-])C[N+](=O)[O-] ZINC000001751891 358428604 /nfs/dbraw/zinc/42/86/04/358428604.db2.gz FGUVIFDLUZHXTP-UHFFFAOYSA-N 0 0 204.226 1.592 50 5 BDBARN Nc1ccc2oc3ncccc3c(=O)c2c1 ZINC000000338658 358731059 /nfs/dbraw/zinc/73/10/59/358731059.db2.gz FQCQTEUUNFORPP-UHFFFAOYSA-N 0 0 212.208 1.923 50 5 BDBARN COC(=O)CC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000036421480 361124444 /nfs/dbraw/zinc/12/44/44/361124444.db2.gz MOOOUTARLRWKAA-UHFFFAOYSA-N 0 0 237.211 1.270 50 5 BDBARN O=[N+]([O-])c1ccc(OC(F)(F)F)c(CO)c1 ZINC000142908700 368392256 /nfs/dbraw/zinc/39/22/56/368392256.db2.gz FQIKSGAPTKHNIT-UHFFFAOYSA-N 0 0 237.133 1.986 50 5 BDBARN O=[N+]([O-])c1c(N2CCC2)nc2ccccn21 ZINC000012629090 370922989 /nfs/dbraw/zinc/92/29/89/370922989.db2.gz HMEYDQMWPXINOK-UHFFFAOYSA-N 0 0 218.216 1.453 50 5 BDBARN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1 ZINC000019229522 371124982 /nfs/dbraw/zinc/12/49/82/371124982.db2.gz KNTGXGBOYZAKTA-UHFFFAOYSA-N 0 0 222.244 1.427 50 5 BDBARN Nc1ncc([N+](=O)[O-])cc1Br ZINC000019735915 371186091 /nfs/dbraw/zinc/18/60/91/371186091.db2.gz OFXNHXMPRZDIDM-UHFFFAOYSA-N 0 0 218.010 1.335 50 5 BDBARN Nc1cc(Br)c([N+](=O)[O-])cn1 ZINC000071255966 181677236 /nfs/dbraw/zinc/67/72/36/181677236.db2.gz SRZJCTZTDMZTOF-UHFFFAOYSA-N 0 0 218.010 1.335 50 5 BDBARN Cc1c([N+](=O)[O-])cc(CO)cc1[N+](=O)[O-] ZINC000002583625 371602777 /nfs/dbraw/zinc/60/27/77/371602777.db2.gz CFABPPYLLXJWIW-UHFFFAOYSA-N 0 0 212.161 1.304 50 5 BDBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC1CC1 ZINC000000314409 181836708 /nfs/dbraw/zinc/83/67/08/181836708.db2.gz VEGQFWYQQPEBIC-FPYGCLRLSA-N 0 0 232.239 1.887 50 5 BDBARN O=[N+]([O-])c1c(N2CCCC2)nc2sccn21 ZINC000004024481 372119553 /nfs/dbraw/zinc/11/95/53/372119553.db2.gz KIKIZWJKWOCICP-UHFFFAOYSA-N 0 0 238.272 1.904 50 5 BDBARN O=C1C=CC(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000003957570 372098643 /nfs/dbraw/zinc/09/86/43/372098643.db2.gz CVKDEEISKBRPEQ-UHFFFAOYSA-N 0 0 218.168 1.024 50 5 BDBARN CCCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000002023093 168825715 /nfs/dbraw/zinc/82/57/15/168825715.db2.gz LSVBBJVITBGNFC-UHFFFAOYSA-N 0 0 248.238 1.991 50 5 BDBARN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC1 ZINC000057676155 182002172 /nfs/dbraw/zinc/00/21/72/182002172.db2.gz GICRERFSKKBAJK-UHFFFAOYSA-N 0 0 236.227 1.206 50 5 BDBARN C[S@@](=N)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000039233507 372911909 /nfs/dbraw/zinc/91/19/09/372911909.db2.gz OSHPSKAPWFEQST-CYBMUJFWSA-N 0 0 200.219 1.630 50 5 BDBARN Cn1cnc([N+](=O)[O-])c1-n1nnc2ccccc21 ZINC000009219653 373581556 /nfs/dbraw/zinc/58/15/56/373581556.db2.gz ADIKNQSXYRWEEN-UHFFFAOYSA-N 0 0 244.214 1.062 50 5 BDBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccno1 ZINC000008804155 182362379 /nfs/dbraw/zinc/36/23/79/182362379.db2.gz AYFUTWYCRGNLCU-UHFFFAOYSA-N 0 0 233.183 1.835 50 5 BDBARN O=C1COc2c(cc(Cl)cc2[N+](=O)[O-])N1 ZINC000030714994 182769441 /nfs/dbraw/zinc/76/94/41/182769441.db2.gz PHVYJBIAHFOQLG-UHFFFAOYSA-N 0 0 228.591 1.579 50 5 BDBARN O=[N+]([O-])c1cc(F)ccc1N1CC[C@@H](O)C1 ZINC000095948159 182923493 /nfs/dbraw/zinc/92/34/93/182923493.db2.gz IYZVXYHAVLTSLB-MRVPVSSYSA-N 0 0 226.207 1.305 50 5 BDBARN O=[N+]([O-])c1ccc(-n2cccn2)c(F)c1 ZINC000039186085 182927161 /nfs/dbraw/zinc/92/71/61/182927161.db2.gz YNYHDGYGCYUVOE-UHFFFAOYSA-N 0 0 207.164 1.920 50 5 BDBARN O=[N+]([O-])c1ccc(N2CCSC2)nc1 ZINC000069538805 182933744 /nfs/dbraw/zinc/93/37/44/182933744.db2.gz YMTOJUGCDPYRAG-UHFFFAOYSA-N 0 0 211.246 1.501 50 5 BDBARN O=c1[nH]c2cc(Cl)cc([N+](=O)[O-])c2o1 ZINC000022054749 182973592 /nfs/dbraw/zinc/97/35/92/182973592.db2.gz CRZGVTHVMCEWRC-UHFFFAOYSA-N 0 0 214.564 1.683 50 5 in-vitro BDBARN O=c1ccnc(Nc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000008672857 183005349 /nfs/dbraw/zinc/00/53/49/183005349.db2.gz LCWJGGAEDQDKRX-UHFFFAOYSA-N 0 0 232.199 1.422 50 5 BDBARN O=c1nc2ccccn2c2ccc([N+](=O)[O-])cc12 ZINC000004343332 183009680 /nfs/dbraw/zinc/00/96/80/183009680.db2.gz LHOKKZZLUZTPBP-UHFFFAOYSA-N 0 0 241.206 1.756 50 5 BDBARN O=C1OCCN1c1cccc([N+](=O)[O-])c1 ZINC000032627970 384335628 /nfs/dbraw/zinc/33/56/28/384335628.db2.gz DIAJMQOAAXLQTP-UHFFFAOYSA-N 0 0 208.173 1.551 50 5 BDBARN CC(C)(C)OC(=O)N1CCC([N+](=O)[O-])CC1 ZINC000075824151 384340301 /nfs/dbraw/zinc/34/03/01/384340301.db2.gz XASYUHHGRZOCKH-UHFFFAOYSA-N 0 0 230.264 1.663 50 5 BDBARN O=[N+]([O-])c1cnc2nc(-c3cccs3)nn2c1 ZINC000072238673 384845173 /nfs/dbraw/zinc/84/51/73/384845173.db2.gz NKGVUCZRQWEKKS-UHFFFAOYSA-N 0 0 247.239 1.761 50 5 BDBARN CNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000119262717 384929441 /nfs/dbraw/zinc/92/94/41/384929441.db2.gz PCQBBNCKBUQQEH-UHFFFAOYSA-N 0 0 244.272 1.120 50 5 BDBARN Cn1nc([N+](=O)[O-])cc1COCC(F)F ZINC000072209665 385063592 /nfs/dbraw/zinc/06/35/92/385063592.db2.gz MNIPGEJVEHPYLQ-UHFFFAOYSA-N 0 0 221.163 1.110 50 5 BDBARN Cc1ccnc(NCCn2ccnn2)c1[N+](=O)[O-] ZINC000136309597 385028308 /nfs/dbraw/zinc/02/83/08/385028308.db2.gz JPTNDJYQWYNTPQ-UHFFFAOYSA-N 0 0 248.246 1.002 50 5 BDBARN C[C@H](O)CN(c1ncccc1[N+](=O)[O-])C1CC1 ZINC000585091305 386659075 /nfs/dbraw/zinc/65/90/75/386659075.db2.gz AHVFUPQIVYPZQW-QMMMGPOBSA-N 0 0 237.259 1.339 50 5 BDBARN CN(C)CC(=O)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000006051379 387010837 /nfs/dbraw/zinc/01/08/37/387010837.db2.gz VJGPZSDDJNMKCV-UHFFFAOYSA-N 0 0 241.222 1.234 50 5 BDBARN O=C1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000089065396 387360145 /nfs/dbraw/zinc/36/01/45/387360145.db2.gz VMPHEKKAEAQKET-UHFFFAOYSA-N 0 0 220.228 1.764 50 5 BDBARN Cc1nonc1COc1ccsc1[N+](=O)[O-] ZINC000521394970 387501582 /nfs/dbraw/zinc/50/15/82/387501582.db2.gz IZRJSGDZRKKUFY-UHFFFAOYSA-N 0 0 241.228 1.927 50 5 BDBARN COC(=O)c1cc([N+](=O)[O-])c(N)cc1C ZINC000064033524 387784397 /nfs/dbraw/zinc/78/43/97/387784397.db2.gz JWLVSMLOEYNNHO-UHFFFAOYSA-N 0 0 210.189 1.272 50 5 BDBARN COC(=O)CCSc1ccncc1[N+](=O)[O-] ZINC000066796361 388403949 /nfs/dbraw/zinc/40/39/49/388403949.db2.gz QDRGWOOOWDGFDJ-UHFFFAOYSA-N 0 0 242.256 1.645 50 5 BDBARN CCCCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000095495963 388776517 /nfs/dbraw/zinc/77/65/17/388776517.db2.gz PCTHYKZDUGQVRA-UHFFFAOYSA-N 0 0 223.232 1.520 50 5 BDBARN Cc1nc(N2CCOCC2)ccc1[N+](=O)[O-] ZINC000019815735 132250286 /nfs/dbraw/zinc/25/02/86/132250286.db2.gz QVRNFTYRQFZTCY-UHFFFAOYSA-N 0 0 223.232 1.135 50 5 BDBARN COc1cc(N2CCOCC2)ccc1[N+](=O)[O-] ZINC000004558828 132316832 /nfs/dbraw/zinc/31/68/32/132316832.db2.gz YMXOMWAFFGHJFC-UHFFFAOYSA-N 0 0 238.243 1.440 50 5 BDBARN C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000020413916 132331531 /nfs/dbraw/zinc/33/15/31/132331531.db2.gz OEWWQMFPALMWEF-RKDXNWHRSA-N 0 0 237.259 1.603 50 5 BDBARN O=[N+]([O-])c1ccc(N2CCC[C@H](O)C2)c(F)c1 ZINC000032923275 132335776 /nfs/dbraw/zinc/33/57/76/132335776.db2.gz ONZKPOIEYFXTQB-VIFPVBQESA-N 0 0 240.234 1.695 50 5 BDBARN O=[N+]([O-])c1cccnc1N1CCC(CO)CC1 ZINC000040444378 132347650 /nfs/dbraw/zinc/34/76/50/132347650.db2.gz DATSLEILKRNRMZ-UHFFFAOYSA-N 0 0 237.259 1.199 50 5 BDBARN CC(C)(O)Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000170037338 397965477 /nfs/dbraw/zinc/96/54/77/397965477.db2.gz LEMNOIUOKOWXOS-UHFFFAOYSA-N 0 0 246.650 1.181 50 5 BDBARN c1cc2c3nc4nnnn4nc3c3cccc(c1)c23 ZINC000075286738 397979239 /nfs/dbraw/zinc/97/92/39/397979239.db2.gz XZBAXVUFFAVXOG-UHFFFAOYSA-N 0 0 246.233 1.812 50 5 BDBARN CCN(CC)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000000192709 169761086 /nfs/dbraw/zinc/76/10/86/169761086.db2.gz RNQVUGIHHPXXCJ-UHFFFAOYSA-N 0 0 212.205 1.670 50 5 BDBARN CC(=O)Nc1ccc(OC(C)=O)cc1[N+](=O)[O-] ZINC000003845183 411185930 /nfs/dbraw/zinc/18/59/30/411185930.db2.gz HSCNPJOXRGUVFK-UHFFFAOYSA-N 0 0 238.199 1.479 50 5 in-vitro BDBARN CCOC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000002526599 170188112 /nfs/dbraw/zinc/18/81/12/170188112.db2.gz SRZCNFCBCVDIHX-UHFFFAOYSA-N 0 0 227.220 1.090 50 5 BDBARN CCOC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000006046800 170229144 /nfs/dbraw/zinc/22/91/44/170229144.db2.gz XDAQOXGWQBZSPZ-UHFFFAOYSA-N 0 0 239.227 1.845 50 5 BDBARN CCOC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000263624175 170235313 /nfs/dbraw/zinc/23/53/13/170235313.db2.gz OCCCCDGKIUEGSR-UHFFFAOYSA-N 0 0 245.181 1.979 50 5 BDBARN CCOC(=O)Cc1cc(F)cc(F)c1[N+](=O)[O-] ZINC000263624297 170235543 /nfs/dbraw/zinc/23/55/43/170235543.db2.gz PBUFVVVRNFLFFN-UHFFFAOYSA-N 0 0 245.181 1.979 50 5 BDBARN CCOC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000015081644 170237993 /nfs/dbraw/zinc/23/79/93/170237993.db2.gz UMSSNTLFYVEQOH-UHFFFAOYSA-N 0 0 249.226 1.508 50 5 BDBARN CCOC(=O)c1cccc(N)c1[N+](=O)[O-] ZINC000039084147 170298874 /nfs/dbraw/zinc/29/88/74/170298874.db2.gz IJNYIIHVEXLJGI-UHFFFAOYSA-N 0 0 210.189 1.354 50 5 BDBARN CCOC(=O)c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC000071256412 170302448 /nfs/dbraw/zinc/30/24/48/170302448.db2.gz BMUPZYSFLXBIEG-UHFFFAOYSA-N 0 0 247.210 1.715 50 5 BDBARN CCOC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1 ZINC000004284424 170320824 /nfs/dbraw/zinc/32/08/24/170320824.db2.gz XWXGLGWXBJDMPT-UHFFFAOYSA-N 0 0 249.226 1.682 50 5 BDBARN CN(C)/C=C/c1ccc2c(nnn2C)c1[N+](=O)[O-] ZINC000052525345 172350955 /nfs/dbraw/zinc/35/09/55/172350955.db2.gz PHWVAURKJJEJNK-VOTSOKGWSA-N 0 0 247.258 1.409 50 5 BDBARN CN1CCN(Cc2ccc([N+](=O)[O-])s2)CC1 ZINC000000040791 173086534 /nfs/dbraw/zinc/08/65/34/173086534.db2.gz MONUCAGHYAVLMP-UHFFFAOYSA-N 0 0 241.316 1.404 50 5 BDBARN CNC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000000615486 173310094 /nfs/dbraw/zinc/31/00/94/173310094.db2.gz OXYZBKZUDUGFJN-UHFFFAOYSA-N 0 0 248.194 1.061 50 5 BDBARN COC(=O)c1c(C=O)cccc1[N+](=O)[O-] ZINC000001596256 173843286 /nfs/dbraw/zinc/84/32/86/173843286.db2.gz UFSGWOAUSVQOQB-UHFFFAOYSA-N 0 0 209.157 1.194 50 5 BDBARN COC(=O)c1cc([N+](=O)[O-])ccc1NC(C)=O ZINC000004284629 173861700 /nfs/dbraw/zinc/86/17/00/173861700.db2.gz HAKPLTBAUCAFMV-UHFFFAOYSA-N 0 0 238.199 1.340 50 5 BDBARN COC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000000133017 173897034 /nfs/dbraw/zinc/89/70/34/173897034.db2.gz FDQQRLPHAAICCR-UHFFFAOYSA-N 0 0 211.173 1.390 50 5 BDBARN COCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000004699134 174059369 /nfs/dbraw/zinc/05/93/69/174059369.db2.gz LESLIVBJUAWNHQ-UHFFFAOYSA-N 0 0 240.215 1.188 50 5 BDBARN COCCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000005511701 174245185 /nfs/dbraw/zinc/24/51/85/174245185.db2.gz VMDRPLGJTQBPSW-UHFFFAOYSA-N 0 0 238.243 1.361 50 5 BDBARN COCCSc1c([N+](=O)[O-])c(C)nn1C ZINC000096436778 174376560 /nfs/dbraw/zinc/37/65/60/174376560.db2.gz CLMDQSMTWGZUNG-UHFFFAOYSA-N 0 0 231.277 1.375 50 5 BDBARN COc1cc(OC)c([N+](=O)[O-])cc1C=O ZINC000000448008 175007896 /nfs/dbraw/zinc/00/78/96/175007896.db2.gz APRQSFZNTDDXNQ-UHFFFAOYSA-N 0 0 211.173 1.425 50 5 BDBARN COc1ccc([N+](=O)[O-])cc1Cn1ccnc1 ZINC000070163093 175201010 /nfs/dbraw/zinc/20/10/10/175201010.db2.gz SRSJHGSKUPGENW-UHFFFAOYSA-N 0 0 233.227 1.848 50 5 BDBARN COc1cccc(Cn2cc([N+](=O)[O-])cn2)c1 ZINC000000614341 175272968 /nfs/dbraw/zinc/27/29/68/175272968.db2.gz CUQPFIIYVYBRML-UHFFFAOYSA-N 0 0 233.227 1.848 50 5 BDBARN COc1cnc(-c2cccc([N+](=O)[O-])c2)[nH]c1=O ZINC000032911396 175380379 /nfs/dbraw/zinc/38/03/79/175380379.db2.gz KMUFSJBYIDLSDP-UHFFFAOYSA-N 0 0 247.210 1.354 50 5 BDBARN C[C@@H]1Oc2cccc([N+](=O)[O-])c2NC1=O ZINC000038885092 487533467 /nfs/dbraw/zinc/53/34/67/487533467.db2.gz KJLTZKFWTJOQFY-YFKPBYRVSA-N 0 0 208.173 1.314 50 5 BDBARN Cc1cc(Cn2cc([N+](=O)[O-])c(C)cc2=O)on1 ZINC000096474510 178074155 /nfs/dbraw/zinc/07/41/55/178074155.db2.gz PKZFFIGGAXPPKW-UHFFFAOYSA-N 0 0 249.226 1.410 50 5 BDBARN Cc1cc([N+](=O)[O-])c(NC[C@H](C)O)cc1N ZINC000004036481 178270119 /nfs/dbraw/zinc/27/01/19/178270119.db2.gz RNEXDEKSLDKWNY-ZETCQYMHSA-N 0 0 225.248 1.278 50 5 BDBARN Cc1cc([N+](=O)[O-])nn1Cc1ccon1 ZINC000193872729 178275326 /nfs/dbraw/zinc/27/53/26/178275326.db2.gz IIFHONDLDXRTCU-UHFFFAOYSA-N 0 0 208.177 1.136 50 5 BDBARN Cc1ccc(-c2nnco2)cc1[N+](=O)[O-] ZINC000012997607 178342300 /nfs/dbraw/zinc/34/23/00/178342300.db2.gz AQGJNTCYASXHEN-UHFFFAOYSA-N 0 0 205.173 1.953 50 5 BDBARN CN(O)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000003997413 342740239 /nfs/dbraw/zinc/74/02/39/342740239.db2.gz QDWDPUOZHMWVAO-UHFFFAOYSA-N 0 0 211.177 1.448 50 5 BDBARN O=[N+]([O-])c1cccnc1Sc1nc[nH]n1 ZINC000005757120 342769451 /nfs/dbraw/zinc/76/94/51/342769451.db2.gz RYWUKFAXVSVNFV-UHFFFAOYSA-N 0 0 223.217 1.259 50 5 BDBARN CN(C)c1ccc2nsnc2c1[N+](=O)[O-] ZINC000004362000 342857246 /nfs/dbraw/zinc/85/72/46/342857246.db2.gz DREQNHIYBAZRBH-UHFFFAOYSA-N 0 0 224.245 1.666 50 5 BDBARN Cc1ccc(NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000032931969 342924534 /nfs/dbraw/zinc/92/45/34/342924534.db2.gz JPZQCAVWBQZOSO-ZJUUUORDSA-N 0 0 220.228 1.599 50 5 BDBARN Nc1cc(Br)cnc1[N+](=O)[O-] ZINC000085210423 398330445 /nfs/dbraw/zinc/33/04/45/398330445.db2.gz GOXZJSIRAHNQQG-UHFFFAOYSA-N 0 0 218.010 1.335 50 5 BDBARN O=[N+]([O-])c1cn(Cc2ccccc2)nn1 ZINC000000033797 344016695 /nfs/dbraw/zinc/01/66/95/344016695.db2.gz RNFFVBRVQVBEST-UHFFFAOYSA-N 0 0 204.189 1.235 50 5 BDBARN Cc1cc(N)c([N+](=O)[O-])c2nsnc21 ZINC000004744024 344156300 /nfs/dbraw/zinc/15/63/00/344156300.db2.gz NSDRJNOUVDZFEL-UHFFFAOYSA-N 0 0 210.218 1.490 50 5 BDBARN Cn1c(C=O)nc2cc([N+](=O)[O-])ccc21 ZINC000000084041 344244333 /nfs/dbraw/zinc/24/43/33/344244333.db2.gz CGFYTPXAPAREGN-UHFFFAOYSA-N 0 0 205.173 1.294 50 5 BDBARN Cc1ccc(C(=O)n2ccc([N+](=O)[O-])n2)cc1 ZINC000000078678 344242063 /nfs/dbraw/zinc/24/20/63/344242063.db2.gz PQRIEIACDJITID-UHFFFAOYSA-N 0 0 231.211 1.788 50 5 in-vivo BDBARN O=[N+]([O-])c1ccc(C2OCCO2)s1 ZINC000000139993 344559227 /nfs/dbraw/zinc/55/92/27/344559227.db2.gz VTRXHPYVLDJELJ-UHFFFAOYSA-N 0 0 201.203 1.702 50 5 BDBARN CC(C)(C)OC(=O)n1cc([N+](=O)[O-])cn1 ZINC000114363048 344685694 /nfs/dbraw/zinc/68/56/94/344685694.db2.gz WMGSNCNRVFCPBP-UHFFFAOYSA-N 0 0 213.193 1.575 50 5 BDBARN Cc1ccc([N+](=O)[O-])cc1N1C(=O)CCC1=O ZINC000000312192 344689428 /nfs/dbraw/zinc/68/94/28/344689428.db2.gz PCSJAVZRVPZSAJ-UHFFFAOYSA-N 0 0 234.211 1.557 50 5 BDBARN Nc1nc(Cc2ccc([N+](=O)[O-])cc2)ns1 ZINC000000314484 344689753 /nfs/dbraw/zinc/68/97/53/344689753.db2.gz GTXDFSJUWBXTDJ-UHFFFAOYSA-N 0 0 236.256 1.619 50 5 BDBARN Cc1nc([N+](=O)[O-])cn1Cc1ccncc1 ZINC000005337941 346264732 /nfs/dbraw/zinc/26/47/32/346264732.db2.gz NNQSWUGLAGREMT-UHFFFAOYSA-N 0 0 218.216 1.543 50 5 BDBARN O=[N+]([O-])c1c[nH]nc1-c1ccc(F)cn1 ZINC000150302511 191113496 /nfs/dbraw/zinc/11/34/96/191113496.db2.gz NANIGEDKTKYEPB-UHFFFAOYSA-N 0 0 208.152 1.519 50 5 BDBARN Cc1nonc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000000309089 180515259 /nfs/dbraw/zinc/51/52/59/180515259.db2.gz CELXAGHPIOZTBU-UHFFFAOYSA-N 0 0 248.198 1.539 50 5 BDBARN O=[N+]([O-])c1ccc(Cn2ccnc2)cc1 ZINC000001027711 350985718 /nfs/dbraw/zinc/98/57/18/350985718.db2.gz FLYGQJXMRPZYHQ-UHFFFAOYSA-N 0 0 203.201 1.840 50 5 in-vivo BDBARN Cc1cnn(C(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000001055226 350995736 /nfs/dbraw/zinc/99/57/36/350995736.db2.gz DPNRBLKNNDKNQT-UHFFFAOYSA-N 0 0 231.211 1.788 50 5 BDBARN Cn1c2ccccc2n2nc3nc[nH]c(=O)c3c12 ZINC000005813509 351041634 /nfs/dbraw/zinc/04/16/34/351041634.db2.gz HFBMVFGMVBPTAC-UHFFFAOYSA-N 0 0 239.238 1.063 50 5 BDBARN O=c1[nH][nH]c(=O)c2cc3ccccc3cc12 ZINC000017023010 362994587 /nfs/dbraw/zinc/99/45/87/362994587.db2.gz VQOMAVHJHNAOFI-UHFFFAOYSA-N 0 0 212.208 1.782 50 5 BDBARN O=[N+]([O-])[C@]12C=CO[C@@H]1N1c3ccccc3N[C@H]12 ZINC000137002526 351222431 /nfs/dbraw/zinc/22/24/31/351222431.db2.gz BQDHZHFNLJYNAL-VWYCJHECSA-N 0 0 231.211 1.144 50 5 BDBARN COc1c(O)ccc(/C=C\[N+](=O)[O-])c1[N+](=O)[O-] ZINC000005958336 351337869 /nfs/dbraw/zinc/33/78/69/351337869.db2.gz ZAUXRJBGUWQKHU-PLNGDYQASA-N 0 0 240.171 1.556 50 5 BDBARN CC(C)(C)C(=O)Cn1cnc([N+](=O)[O-])c1 ZINC000012544621 352072812 /nfs/dbraw/zinc/07/28/12/352072812.db2.gz TXMFNAOWEWLIEW-UHFFFAOYSA-N 0 0 211.221 1.407 50 5 BDBARN O=[N+]([O-])c1ncccc1NN1CCCCC1 ZINC000095081123 187627962 /nfs/dbraw/zinc/62/79/62/187627962.db2.gz DTEJVOSWDJOIMW-UHFFFAOYSA-N 0 0 222.248 1.803 50 5 BDBARN Cn1cnnc1Sc1ccc([N+](=O)[O-])cc1 ZINC000000971863 180797645 /nfs/dbraw/zinc/79/76/45/180797645.db2.gz WTRLSMZHBYXIEA-UHFFFAOYSA-N 0 0 236.256 1.875 50 5 BDBARN Cn1nc([N+](=O)[O-])nc1-n1cnc2ccccc21 ZINC000000456356 180807269 /nfs/dbraw/zinc/80/72/69/180807269.db2.gz HYYZMJFANOZFCX-UHFFFAOYSA-N 0 0 244.214 1.062 50 5 BDBARN CC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000000488399 188269083 /nfs/dbraw/zinc/26/90/83/188269083.db2.gz PKDUVHDAPLRJMS-UHFFFAOYSA-N 0 0 247.254 1.755 50 5 biogenic,in-vitro BDBARN CC(=O)Nc1ccc([N+](=O)[O-])c2[nH]cnc21 ZINC000004629525 188276476 /nfs/dbraw/zinc/27/64/76/188276476.db2.gz VMYXUQRRBXGKGZ-UHFFFAOYSA-N 0 0 220.188 1.430 50 5 BDBARN CC(=O)C[C@H](O)c1ccccc1[N+](=O)[O-] ZINC000003136830 188304858 /nfs/dbraw/zinc/30/48/58/188304858.db2.gz QLWGGIGZONFVIO-JTQLQIEISA-N 0 0 209.201 1.607 50 5 BDBARN O=C1SCCN1c1ccc([N+](=O)[O-])cn1 ZINC000063120225 188361775 /nfs/dbraw/zinc/36/17/75/188361775.db2.gz OOOLRBMERVKWRU-UHFFFAOYSA-N 0 0 225.229 1.663 50 5 BDBARN O=[N+]([O-])c1ccc(-c2n[nH]c(=S)[nH]2)cc1 ZINC000006472566 359316265 /nfs/dbraw/zinc/31/62/65/359316265.db2.gz VLPCRGZHVDUEQX-UHFFFAOYSA-N 0 0 222.229 1.669 50 5 BDBARN O=[N+]([O-])c1cc2nsnc2c2nsnc21 ZINC000002067671 360523731 /nfs/dbraw/zinc/52/37/31/360523731.db2.gz OGLXPZROGSBLDV-UHFFFAOYSA-N 0 0 239.241 1.604 50 5 BDBARN NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000000000887 181302514 /nfs/dbraw/zinc/30/25/14/181302514.db2.gz GFGSZUNNBQXGMK-UHFFFAOYSA-N 0 0 200.581 1.347 50 5 in-man BDBARN O=C(CNc1ccccc1[N+](=O)[O-])NC1CC1 ZINC000007366654 361593238 /nfs/dbraw/zinc/59/32/38/361593238.db2.gz CMJQBMNXNRPADM-UHFFFAOYSA-N 0 0 235.243 1.285 50 5 BDBARN O=[N+]([O-])c1ccccc1Cn1ccnc1 ZINC000012375616 370855757 /nfs/dbraw/zinc/85/57/57/370855757.db2.gz GXVAHCGFGVRIHQ-UHFFFAOYSA-N 0 0 203.201 1.840 50 5 BDBARN O=[N+]([O-])c1c(NCCCO)nc2ccccn21 ZINC000012627816 370923429 /nfs/dbraw/zinc/92/34/29/370923429.db2.gz QNUZHIADKGWBPD-UHFFFAOYSA-N 0 0 236.231 1.037 50 5 BDBARN [NH3+][C@H](CC(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000001235005 181611679 /nfs/dbraw/zinc/61/16/79/181611679.db2.gz JVQPVKJZKRICRR-MRVPVSSYSA-N 0 0 210.189 1.069 50 5 BDBARN Nc1ncc([N+](=O)[O-])c(N2CCCCCC2)n1 ZINC000005445325 181798911 /nfs/dbraw/zinc/79/89/11/181798911.db2.gz HMAALAMLNLPGHM-UHFFFAOYSA-N 0 0 237.263 1.347 50 5 BDBARN CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003342694 371962320 /nfs/dbraw/zinc/96/23/20/371962320.db2.gz CWGQPJLXSDTODA-UHFFFAOYSA-N 0 0 215.230 1.388 50 5 BDBARN O=[N+]([O-])c1ccc(NCCO)c2ncccc12 ZINC000003877824 372083346 /nfs/dbraw/zinc/08/33/46/372083346.db2.gz IMAVNOXINUBPTK-UHFFFAOYSA-N 0 0 233.227 1.547 50 5 BDBARN O=C(Cn1cncn1)c1ccc([N+](=O)[O-])cc1 ZINC000000983317 182072597 /nfs/dbraw/zinc/07/25/97/182072597.db2.gz CQAFVMXEPJPFSQ-UHFFFAOYSA-N 0 0 232.199 1.069 50 5 BDBARN O=C(NC1CC1)c1ccc([N+](=O)[O-])s1 ZINC000015586995 182099440 /nfs/dbraw/zinc/09/94/40/182099440.db2.gz VHTMZSKNDOSLRE-UHFFFAOYSA-N 0 0 212.230 1.549 50 5 BDBARN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2O)n1 ZINC000040517237 373402269 /nfs/dbraw/zinc/40/22/69/373402269.db2.gz DSPUTYZFIRGJDL-YUMQZZPRSA-N 0 0 211.221 1.267 50 5 BDBARN COc1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000142975578 374121007 /nfs/dbraw/zinc/12/10/07/374121007.db2.gz BKYHMDNLFGUECN-UHFFFAOYSA-N 0 0 216.124 1.651 50 5 BDBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000005674674 182362284 /nfs/dbraw/zinc/36/22/84/182362284.db2.gz IQNYWKJEBZYOFE-JTQLQIEISA-N 0 0 236.227 1.712 50 5 BDBARN O=C(Nc1cccc([N+](=O)[O-])c1)NC1CC1 ZINC000009256267 182372199 /nfs/dbraw/zinc/37/21/99/182372199.db2.gz UHEYQOOFVUXABF-UHFFFAOYSA-N 0 0 221.216 1.879 50 5 BDBARN O=C(Nc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000005679767 182380317 /nfs/dbraw/zinc/38/03/17/182380317.db2.gz YQUUJHRDDQKBAI-SNVBAGLBSA-N 0 0 236.227 1.712 50 5 BDBARN O=C(OC[C@@H]1CO1)c1ccc([N+](=O)[O-])cc1 ZINC000002539401 182603589 /nfs/dbraw/zinc/60/35/89/182603589.db2.gz MUWIANZPEBMVHH-VIFPVBQESA-N 0 0 223.184 1.150 50 5 BDBARN O=C1CCC(c2cccc([N+](=O)[O-])c2)=NN1 ZINC000004776070 182724802 /nfs/dbraw/zinc/72/48/02/182724802.db2.gz FXGPGOXCPDDDGY-UHFFFAOYSA-N 0 0 219.200 1.209 50 5 BDBARN O=[N+]([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000022345669 182925066 /nfs/dbraw/zinc/92/50/66/182925066.db2.gz UATJOMSPNYCXIX-UHFFFAOYSA-N 0 0 213.105 1.411 50 5 in-vitro BDBARN O=[N+]([O-])c1ccc(Cl)cc1N1CC(CO)C1 ZINC000225498346 182932254 /nfs/dbraw/zinc/93/22/54/182932254.db2.gz UBZVAONTDAOLMI-UHFFFAOYSA-N 0 0 242.662 1.677 50 5 BDBARN O=[N+]([O-])c1ccncc1N1CCC(F)(F)C1 ZINC000169725784 182954757 /nfs/dbraw/zinc/95/47/57/182954757.db2.gz VVIPGCXQQYWIDF-UHFFFAOYSA-N 0 0 229.186 1.835 50 5 BDBARN O=[N+]([O-])c1ccc2c(c1)N(CCCO)CC2 ZINC000097111433 182941110 /nfs/dbraw/zinc/94/11/10/182941110.db2.gz IWFAZJALJRZIGT-UHFFFAOYSA-N 0 0 222.244 1.340 50 5 BDBARN CNc1ccc(C(=O)OC)cc1[N+](=O)[O-] ZINC000005363664 384112765 /nfs/dbraw/zinc/11/27/65/384112765.db2.gz RUJMPEWZLDVEAV-UHFFFAOYSA-N 0 0 210.189 1.423 50 5 BDBARN O=[N+]([O-])c1cnc2n[nH]c(Br)c2c1 ZINC000072482081 384223892 /nfs/dbraw/zinc/22/38/92/384223892.db2.gz KUKTUBBDMTVCMV-UHFFFAOYSA-N 0 0 243.020 1.629 50 5 BDBARN CN(CC[NH+](C)C)Cc1ccccc1[N+](=O)[O-] ZINC000004947824 384266440 /nfs/dbraw/zinc/26/64/40/384266440.db2.gz OYVUCNQBFQMASK-UHFFFAOYSA-N 0 0 237.303 1.588 50 5 BDBARN COC(=O)c1c(F)c([N+](=O)[O-])ccc1OC ZINC000261508244 384358265 /nfs/dbraw/zinc/35/82/65/384358265.db2.gz QTSOEFBZUZVBMR-UHFFFAOYSA-N 0 0 229.163 1.529 50 5 BDBARN COC(=O)c1cc(F)cc([N+](=O)[O-])c1C ZINC000043220632 384659656 /nfs/dbraw/zinc/65/96/56/384659656.db2.gz QOEAMLSLLJPIRF-UHFFFAOYSA-N 0 0 213.164 1.829 50 5 BDBARN O=[N+]([O-])c1cn(CC(F)(F)F)nc1[N+](=O)[O-] ZINC000095098574 384846042 /nfs/dbraw/zinc/84/60/42/384846042.db2.gz ZSZFXOVFRPGVSR-UHFFFAOYSA-N 0 0 240.097 1.262 50 5 BDBARN O=[N+]([O-])c1cnn(-c2ncnc3ccsc32)c1 ZINC000096460526 385178709 /nfs/dbraw/zinc/17/87/09/385178709.db2.gz YYUFHLLCUZTZBH-UHFFFAOYSA-N 0 0 247.239 1.785 50 5 BDBARN Nc1nc2cc([N+](=O)[O-])c3cccnc3c2o1 ZINC000228902771 385908543 /nfs/dbraw/zinc/90/85/43/385908543.db2.gz VJCRQUVGUMPVND-UHFFFAOYSA-N 0 0 230.183 1.866 50 5 BDBARN Cc1nc(N(C)[C@H](C)CO)ccc1[N+](=O)[O-] ZINC000095978604 386023358 /nfs/dbraw/zinc/02/33/58/386023358.db2.gz YIKVBHWWAXILJK-SSDOTTSWSA-N 0 0 225.248 1.115 50 5 BDBARN O=[N+]([O-])c1ccc(OC[C@H]2CO2)c([N+](=O)[O-])c1 ZINC000002031753 387288385 /nfs/dbraw/zinc/28/83/85/387288385.db2.gz HQMLRVISGWALJZ-SSDOTTSWSA-N 0 0 240.171 1.281 50 5 BDBARN COC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000001673029 387333541 /nfs/dbraw/zinc/33/35/41/387333541.db2.gz VKKNUVQQEHKTCG-VOTSOKGWSA-N 0 0 207.185 1.781 50 5 biogenic BDBARN O=[N+]([O-])c1cccnc1N1CCC(F)(F)C1 ZINC000169725764 387975051 /nfs/dbraw/zinc/97/50/51/387975051.db2.gz KMNCCNUHBMTODK-UHFFFAOYSA-N 0 0 229.186 1.835 50 5 BDBARN O=[N+]([O-])c1ccc(N2CC[C@H](CCO)C2)cc1 ZINC000078366037 388680903 /nfs/dbraw/zinc/68/09/03/388680903.db2.gz HPGXTVMKPMMTIG-SNVBAGLBSA-N 0 0 236.271 1.804 50 5 BDBARN O=[N+]([O-])C1C[C@H]1c1nc(-c2ccccn2)no1 ZINC000078773845 388739855 /nfs/dbraw/zinc/73/98/55/388739855.db2.gz KXLAALQGXPRWOC-SVRRBLITSA-N 0 0 232.199 1.264 50 5 BDBARN Cc1c[n+]([O-])c(Br)cc1[N+](=O)[O-] ZINC000002023590 177637222 /nfs/dbraw/zinc/63/72/22/177637222.db2.gz LUUOUEOEHQBXSX-UHFFFAOYSA-N 0 0 233.021 1.299 50 5 BDBARN O=[N+]([O-])c1cccc(N2CCOCC2)c1 ZINC000001063739 132313890 /nfs/dbraw/zinc/31/38/90/132313890.db2.gz DKECFAGKGYRYAT-UHFFFAOYSA-N 0 0 208.217 1.431 50 5 BDBARN NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000005061647 132317306 /nfs/dbraw/zinc/31/73/06/132317306.db2.gz ZTEHWWQGSLIMHY-UHFFFAOYSA-N 0 0 249.270 1.684 50 5 BDBARN C[C@H]1CN(c2ccc([N+](=O)[O-])cn2)CCO1 ZINC000022195787 132332630 /nfs/dbraw/zinc/33/26/30/132332630.db2.gz ZSGFGNKYMISDCM-QMMMGPOBSA-N 0 0 223.232 1.215 50 5 BDBARN O=Cc1c([N+](=O)[O-])cccc1N1CCOCC1 ZINC000095081116 132430006 /nfs/dbraw/zinc/43/00/06/132430006.db2.gz XWQANXAGUSPWGR-UHFFFAOYSA-N 0 0 236.227 1.244 50 5 BDBARN COC(=O)c1cc2cc([N+](=O)[O-])c[nH]c-2n1 ZINC000032915235 397957435 /nfs/dbraw/zinc/95/74/35/397957435.db2.gz WWCIKRATXUMSLS-UHFFFAOYSA-N 0 0 221.172 1.258 50 5 in-vitro BDBARN CC1C[C@@](C)([N+](=O)[O-])[C@](C)([N+](=O)[O-])C1 ZINC000075286806 397979381 /nfs/dbraw/zinc/97/93/81/397979381.db2.gz FQEJFTMNTSTEOT-HTQZYQBOSA-N 0 0 202.210 1.487 50 5 BDBARN COc1ccc(Br)nc1[N+](=O)[O-] ZINC000071254743 175050820 /nfs/dbraw/zinc/05/08/20/175050820.db2.gz NCYGJPLRMYGVEB-UHFFFAOYSA-N 0 0 233.021 1.761 50 5 BDBARN CC1=C([N+](=O)[O-])[C@H](c2ccccc2)NC(=O)N1 ZINC000000078724 168087661 /nfs/dbraw/zinc/08/76/61/168087661.db2.gz RDHOORIHIGDOCT-VIFPVBQESA-N 0 0 233.227 1.549 50 5 BDBARN CCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000000464880 170042309 /nfs/dbraw/zinc/04/23/09/170042309.db2.gz TVFKFBINTQCOBU-BQYQJAHWSA-N 0 0 220.228 1.744 50 5 BDBARN CCOC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004091109 170183929 /nfs/dbraw/zinc/18/39/29/170183929.db2.gz LZAMLGBMDVNTOX-UHFFFAOYSA-N 0 0 238.199 1.096 50 5 in-vitro BDBARN CCOC(=O)COc1ccc(C)nc1[N+](=O)[O-] ZINC000007735579 170229126 /nfs/dbraw/zinc/22/91/26/170229126.db2.gz YTIBREUEBXXOTD-UHFFFAOYSA-N 0 0 240.215 1.240 50 5 BDBARN CCOC(=O)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000000500006 170233788 /nfs/dbraw/zinc/23/37/88/170233788.db2.gz YVYAPSFBICVSJV-JTQLQIEISA-N 0 0 239.227 1.581 50 5 BDBARN CCOC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000034590704 170292073 /nfs/dbraw/zinc/29/20/73/170292073.db2.gz LNFCVLHYTOGQEK-UHFFFAOYSA-N 0 0 213.164 1.911 50 5 BDBARN CCOc1cc(C(N)=O)ccc1[N+](=O)[O-] ZINC000090472038 170517964 /nfs/dbraw/zinc/51/79/64/170517964.db2.gz GIMLDSWLSOWBOA-UHFFFAOYSA-N 0 0 210.189 1.092 50 5 BDBARN CCOc1cc([N+](=O)[O-])c(N)cc1F ZINC000004452520 170528952 /nfs/dbraw/zinc/52/89/52/170528952.db2.gz FLTNORJDSFQOLQ-UHFFFAOYSA-N 0 0 200.169 1.715 50 5 BDBARN CN(C)C(=O)c1noc2cc([N+](=O)[O-])ccc21 ZINC000003050984 172393236 /nfs/dbraw/zinc/39/32/36/172393236.db2.gz CDFZSCCBYFRXCK-UHFFFAOYSA-N 0 0 235.199 1.438 50 5 BDBARN COC(=O)Cc1cc([N+](=O)[O-])cc(F)c1F ZINC000263625332 173640862 /nfs/dbraw/zinc/64/08/62/173640862.db2.gz YWBUTWWXSORXHU-UHFFFAOYSA-N 0 0 231.154 1.589 50 5 BDBARN COC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000001727635 173641089 /nfs/dbraw/zinc/64/10/89/173641089.db2.gz HTANURMJHZJJSO-UHFFFAOYSA-N 0 0 240.171 1.219 50 5 BDBARN CONC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000058366191 174663600 /nfs/dbraw/zinc/66/36/00/174663600.db2.gz CGVHUEGDTJSVOY-UHFFFAOYSA-N 0 0 239.231 1.074 50 5 BDBARN COc1cc(OC)c([N+](=O)[O-])cc1F ZINC000002511041 175008265 /nfs/dbraw/zinc/00/82/65/175008265.db2.gz KADJLLXINJRFKF-UHFFFAOYSA-N 0 0 201.153 1.751 50 5 BDBARN COc1cc2c(cc1/C=C/[N+](=O)[O-])OCO2 ZINC000000464161 175020666 /nfs/dbraw/zinc/02/06/66/175020666.db2.gz GPZHSRJBTWPMMQ-NSCUHMNNSA-N 0 0 223.184 1.671 50 5 BDBARN C[C@H]1S[C@H](c2cccc([N+](=O)[O-])c2)NC1=O ZINC000009434369 177413277 /nfs/dbraw/zinc/41/32/77/177413277.db2.gz ZRBDZCSETAATRB-LHLIQPBNSA-N 0 0 238.268 1.845 50 5 BDBARN O=c1[nH]cc(F)c2cc([N+](=O)[O-])ccc12 ZINC000261508009 490136588 /nfs/dbraw/zinc/13/65/88/490136588.db2.gz OUIGMPDTRBYKJN-UHFFFAOYSA-N 0 0 208.148 1.988 50 5 BDBARN C[N+](C)(CCCC(=O)[O-])C[Si](C)(C)C ZINC000195814908 491069027 /nfs/dbraw/zinc/06/90/27/491069027.db2.gz NWLATGCSRKWHLS-UHFFFAOYSA-O 0 0 218.393 1.805 50 5 BDBARN Cc1ccnc(N(C)Cc2cn[nH]c2)c1[N+](=O)[O-] ZINC000952964386 644447275 /nfs/dbraw/zinc/44/72/75/644447275.db2.gz QRXPIXWDHYPZHV-UHFFFAOYSA-N 0 0 247.258 1.658 50 5 BDBARN COc1cc(C=O)cc([N+](=O)[O-])c1OC ZINC000006667013 398224012 /nfs/dbraw/zinc/22/40/12/398224012.db2.gz NOUWQZZKSKEHCI-UHFFFAOYSA-N 0 0 211.173 1.425 50 5 BDBARN Cc1cc(OC(=O)C(C)C)c([N+](=O)[O-])c(=O)[nH]1 ZINC000002455491 178205262 /nfs/dbraw/zinc/20/52/62/178205262.db2.gz QVCZJRADLJGCHG-UHFFFAOYSA-N 0 0 240.215 1.153 50 5 BDBARN Cc1cc(S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000038881756 178216559 /nfs/dbraw/zinc/21/65/59/178216559.db2.gz YEONDRKRXPDGTJ-UHFFFAOYSA-N 0 0 215.230 1.307 50 5 BDBARN Cc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000008383092 178269667 /nfs/dbraw/zinc/26/96/67/178269667.db2.gz FZJGZCSVWGKDAK-UHFFFAOYSA-N 0 0 227.132 1.720 50 5 BDBARN C[C@H]1NC(=O)N(c2ccccc2[N+](=O)[O-])C1=O ZINC000040546392 259316871 /nfs/dbraw/zinc/31/68/71/259316871.db2.gz DUOJQRDGZRJPRD-ZCFIWIBFSA-N 0 0 235.199 1.040 50 5 BDBARN O=[N+]([O-])c1cnn(Cc2cccc(F)c2)c1 ZINC000002597795 342725988 /nfs/dbraw/zinc/72/59/88/342725988.db2.gz JEDQGIUMSHIRIH-UHFFFAOYSA-N 0 0 221.191 1.979 50 5 BDBARN CC(=O)N1c2cc([N+](=O)[O-])ccc2C[C@H]1C ZINC000003123544 342730650 /nfs/dbraw/zinc/73/06/50/342730650.db2.gz RPKVEDGCHSDXBG-SSDOTTSWSA-N 0 0 220.228 1.892 50 5 BDBARN C[C@@H](CO)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000032779567 342875002 /nfs/dbraw/zinc/87/50/02/342875002.db2.gz UECJKDDEQDOLCM-ZETCQYMHSA-N 0 0 239.231 1.097 50 5 BDBARN Cc1cc(-c2nnco2)ccc1[N+](=O)[O-] ZINC000032627016 342856987 /nfs/dbraw/zinc/85/69/87/342856987.db2.gz OAPXUWIOORWKCM-UHFFFAOYSA-N 0 0 205.173 1.953 50 5 BDBARN O=[N+]([O-])c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000004557305 342889208 /nfs/dbraw/zinc/88/92/08/342889208.db2.gz XOAAAPHKZDETSB-UHFFFAOYSA-N 0 0 204.088 1.781 50 5 BDBARN COc1ccc(CCn2cnc([N+](=O)[O-])n2)cc1 ZINC000048374113 343254419 /nfs/dbraw/zinc/25/44/19/343254419.db2.gz BSDSEMWXZJBMER-UHFFFAOYSA-N 0 0 248.242 1.438 50 5 BDBARN Cc1nn(-c2ccccc2)c(NN)c1[N+](=O)[O-] ZINC000034633367 343276250 /nfs/dbraw/zinc/27/62/50/343276250.db2.gz MIIKQEHMGFHNGR-UHFFFAOYSA-N 0 0 233.231 1.375 50 5 BDBARN NC(=O)c1cccc2c1cccc2[N+](=O)[O-] ZINC000040545884 343406694 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538006373 /nfs/dbraw/zinc/00/63/73/538006373.db2.gz RUKMVJASXLAHPR-UHFFFAOYSA-N 0 0 210.237 1.417 50 5 BDBARN CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000005510461 190975543 /nfs/dbraw/zinc/97/55/43/190975543.db2.gz JJSPBSPCBXCZOT-UHFFFAOYSA-N 0 0 214.608 1.608 50 5 BDBARN Cn1c(=O)ccc2cccc([N+](=O)[O-])c21 ZINC000005816056 350915008 /nfs/dbraw/zinc/91/50/08/350915008.db2.gz UZPWKKBFNVYJPJ-UHFFFAOYSA-N 0 0 204.185 1.447 50 5 BDBARN O=[N+]([O-])c1ccc(C2N=NC(=S)S2)o1 ZINC000001042054 350992811 /nfs/dbraw/zinc/99/28/11/350992811.db2.gz XASNJDVTZFCZPT-UHFFFAOYSA-N 0 0 229.242 1.995 50 5 BDBARN Nc1cc(Cl)c2nonc2c1[N+](=O)[O-] ZINC000003882515 351421093 /nfs/dbraw/zinc/42/10/93/351421093.db2.gz MZWTWPQGWLSURI-UHFFFAOYSA-N 0 0 214.568 1.367 50 5 BDBARN O=[N+]([O-])c1ccc([C@@H](O)C(F)F)cc1 ZINC000306145784 187705270 /nfs/dbraw/zinc/70/52/70/187705270.db2.gz QDSJSRYMKHJGEH-SSDOTTSWSA-N 0 0 203.144 1.893 50 5 BDBARN CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000004015944 352452615 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/nfs/dbraw/zinc/98/56/38/182985638.db2.gz KKLUDIBVHNXUQI-UHFFFAOYSA-N 0 0 248.213 1.944 50 5 BDBARN CCCN(c1ncc([N+](=O)[O-])cn1)C1CC1 ZINC000167452783 169183787 /nfs/dbraw/zinc/18/37/87/169183787.db2.gz WZSZDHNUJWPTHU-UHFFFAOYSA-N 0 0 222.248 1.764 50 5 BDBARN CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000003188520 169185138 /nfs/dbraw/zinc/18/51/38/169185138.db2.gz AMUJXUBLHTYUAN-UHFFFAOYSA-N 0 0 234.211 1.601 50 5 BDBARN CCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001761046 169251353 /nfs/dbraw/zinc/25/13/53/169251353.db2.gz MDRVSZJDSUDYGP-UHFFFAOYSA-N 0 0 208.217 1.735 50 5 BDBARN Cc1nc(N[C@H](C)c2cc[nH]n2)ccc1[N+](=O)[O-] ZINC000408515572 384269663 /nfs/dbraw/zinc/26/96/63/384269663.db2.gz JAOIFFPZVQPISG-SSDOTTSWSA-N 0 0 247.258 1.616 50 5 BDBARN CCCCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000005063891 384420299 /nfs/dbraw/zinc/42/02/99/384420299.db2.gz UASFPQFXTGUKDO-UHFFFAOYSA-N 0 0 237.259 1.906 50 5 BDBARN COC(=O)c1ccc(NC(C)=O)cc1[N+](=O)[O-] ZINC000030947818 385033497 /nfs/dbraw/zinc/03/34/97/385033497.db2.gz KLNGDJZTWWNLOW-UHFFFAOYSA-N 0 0 238.199 1.340 50 5 BDBARN COc1cc(CC(C)(C)[N+](=O)[O-])ccc1O ZINC000072408204 385155913 /nfs/dbraw/zinc/15/59/13/385155913.db2.gz JONYOTNJLSILKK-UHFFFAOYSA-N 0 0 225.244 1.999 50 5 BDBARN CCOCCNc1ncccc1[N+](=O)[O-] ZINC000034726832 385813505 /nfs/dbraw/zinc/81/35/05/385813505.db2.gz MAVUIPAFSAUNBZ-UHFFFAOYSA-N 0 0 211.221 1.438 50 5 BDBARN O=[N+]([O-])c1ccc(CSC[C@H](O)CO)cc1 ZINC000086660306 386270310 /nfs/dbraw/zinc/27/03/10/386270310.db2.gz BJEPXDAZPNBFRN-SNVBAGLBSA-N 0 0 243.284 1.181 50 5 BDBARN O=C1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000075110644 386813654 /nfs/dbraw/zinc/81/36/54/386813654.db2.gz CFIXFLHFRWDSGP-SSDOTTSWSA-N 0 0 209.205 1.476 50 5 BDBARN O=C1CC[C@H]([N+](=O)[O-])[C@H]([C@@H]2CC=CCC2)N1 ZINC000169355939 387266915 /nfs/dbraw/zinc/26/69/15/387266915.db2.gz CGLPKGVDOFMFCQ-YWVKMMECSA-N 0 0 224.260 1.267 50 5 BDBARN C[C@@]1(C(=O)c2ccc([N+](=O)[O-])cc2)CCOC1=O ZINC000075271637 387494014 /nfs/dbraw/zinc/49/40/14/387494014.db2.gz UGNXXXWKRVSAHC-LBPRGKRZSA-N 0 0 249.222 1.731 50 5 BDBARN O=[N+]([O-])c1ccccc1N1CC(O)(C2CC2)C1 ZINC000089667297 388359244 /nfs/dbraw/zinc/35/92/44/388359244.db2.gz MFNJTIYXBMTDAO-UHFFFAOYSA-N 0 0 234.255 1.556 50 5 BDBARN O=[N+]([O-])c1ncn(Cc2sccc2Cl)n1 ZINC000241588040 388466453 /nfs/dbraw/zinc/46/64/53/388466453.db2.gz OZCDWGVAPOZFAF-UHFFFAOYSA-N 0 0 244.663 1.950 50 5 BDBARN O=Cc1ccc([N+](=O)[O-])cc1N1CC(F)(F)C1 ZINC000095080961 388757741 /nfs/dbraw/zinc/75/77/41/388757741.db2.gz YOZQQNWNYYMDOA-UHFFFAOYSA-N 0 0 242.181 1.863 50 5 BDBARN O=[N+]([O-])c1c(F)cccc1N1CCC[C@@H](O)C1 ZINC000040452489 132347951 /nfs/dbraw/zinc/34/79/51/132347951.db2.gz GINGDZDYVCBOHR-MRVPVSSYSA-N 0 0 240.234 1.695 50 5 BDBARN CC(C)CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000005262129 167017448 /nfs/dbraw/zinc/01/74/48/167017448.db2.gz LKIIERYXJNQFMX-UHFFFAOYSA-N 0 0 237.259 1.762 50 5 BDBARN CC1=C([N+](=O)[O-])[C@@H](c2ccccc2)NC(=O)N1 ZINC000000078719 168088471 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/nfs/dbraw/zinc/29/78/80/170297880.db2.gz BFEJCZKSFRXXDG-UHFFFAOYSA-N 0 0 213.164 1.911 50 5 BDBARN CCc1nnc(CNc2ccc([N+](=O)[O-])cn2)o1 ZINC000253418851 172053379 /nfs/dbraw/zinc/05/33/79/172053379.db2.gz BCUOKHHACHPDDN-UHFFFAOYSA-N 0 0 249.230 1.547 50 5 BDBARN CCc1nnnn1-c1ccc([N+](=O)[O-])cc1C ZINC000004950833 172069029 /nfs/dbraw/zinc/06/90/29/172069029.db2.gz HLXFXCKSHAECNE-UHFFFAOYSA-N 0 0 233.231 1.441 50 5 BDBARN CCn1cnc2ccc([N+](=O)[O-])cc2c1=O ZINC000008401957 172233855 /nfs/dbraw/zinc/23/38/55/172233855.db2.gz YGHZIYFKMZBUQU-UHFFFAOYSA-N 0 0 219.200 1.325 50 5 BDBARN CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000004181854 173310114 /nfs/dbraw/zinc/31/01/14/173310114.db2.gz GFLLZYNJUBWDLB-UHFFFAOYSA-N 0 0 239.187 1.171 50 5 BDBARN COCCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000017321413 174328367 /nfs/dbraw/zinc/32/83/67/174328367.db2.gz USYAJSPQUPAAPG-UHFFFAOYSA-N 0 0 230.245 1.033 50 5 BDBARN C[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]([NH3+])C(=O)[O-] ZINC000019898195 177034863 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259336476 /nfs/dbraw/zinc/33/64/76/259336476.db2.gz ATAUKBZXCKSYQR-UHFFFAOYSA-N 0 0 243.131 1.420 50 5 BDBARN O=C1CC[C@H]([N+](=O)[O-])[C@H](c2cccs2)N1 ZINC000000088834 344245256 /nfs/dbraw/zinc/24/52/56/344245256.db2.gz NXGSXROJOVXBSB-IMTBSYHQSA-N 0 0 226.257 1.345 50 5 BDBARN COC(=O)CSc1sccc1[N+](=O)[O-] ZINC000000149615 344564562 /nfs/dbraw/zinc/56/45/62/344564562.db2.gz WWNOILHYVBNIRQ-UHFFFAOYSA-N 0 0 233.270 1.921 50 5 BDBARN Cc1c2c([nH]cnc2=O)sc1[N+](=O)[O-] ZINC000000306701 344682835 /nfs/dbraw/zinc/68/28/35/344682835.db2.gz QKKLPQQKLKIERY-UHFFFAOYSA-N 0 0 211.202 1.201 50 5 BDBARN O=[N+]([O-])c1ccc(I)nc1 ZINC000000335170 344701652 /nfs/dbraw/zinc/70/16/52/344701652.db2.gz SJXWHBQWFBHASX-UHFFFAOYSA-N 0 0 249.995 1.594 50 5 BDBARN O=C(OCn1cncn1)c1cccc([N+](=O)[O-])c1 ZINC000000347618 344715832 /nfs/dbraw/zinc/71/58/32/344715832.db2.gz KMAVQHIPSPMXRH-UHFFFAOYSA-N 0 0 248.198 1.001 50 5 BDBARN O=C(CN1CCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000005064009 344926901 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/nfs/dbraw/zinc/82/02/37/180820237.db2.gz AYBJWQOPVRJOSD-UHFFFAOYSA-N 0 0 210.237 1.319 50 5 BDBARN Cc1cc(Cl)cc(C(N)=O)c1[N+](=O)[O-] ZINC000307394308 259437771 /nfs/dbraw/zinc/43/77/71/259437771.db2.gz DBYMNDYYTIDJAJ-UHFFFAOYSA-N 0 0 214.608 1.656 50 5 BDBARN O=[N+]([O-])c1ccc(Sc2nc[nH]n2)nc1 ZINC000005555752 188253619 /nfs/dbraw/zinc/25/36/19/188253619.db2.gz IWAARZIWFYBYGD-UHFFFAOYSA-N 0 0 223.217 1.259 50 5 BDBARN Cn1ncc(Br)c1[N+](=O)[O-] ZINC000000987400 188273278 /nfs/dbraw/zinc/27/32/78/188273278.db2.gz VRXGHSCAAADKCM-UHFFFAOYSA-N 0 0 205.999 1.091 50 5 BDBARN COc1ccc(Cn2cnc([N+](=O)[O-])c2)cc1 ZINC000000343807 188273343 /nfs/dbraw/zinc/27/33/43/188273343.db2.gz VAXHFZPLOZDEGZ-UHFFFAOYSA-N 0 0 233.227 1.848 50 5 BDBARN CC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000001665956 188274075 /nfs/dbraw/zinc/27/40/75/188274075.db2.gz DIRUSBMKFDPKDI-UHFFFAOYSA-N 0 0 208.217 1.273 50 5 BDBARN [NH3+][C@@H](CSc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000001768906 188274134 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372078971 /nfs/dbraw/zinc/07/89/71/372078971.db2.gz LHRIICYSGQGXSX-UHFFFAOYSA-N 0 0 217.568 1.739 50 5 BDBARN CCS(=O)(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000004141224 372151893 /nfs/dbraw/zinc/15/18/93/372151893.db2.gz HOSFKVGCOBWWPC-UHFFFAOYSA-N 0 0 244.272 1.381 50 5 BDBARN COc1c(NC(C)=O)cccc1[N+](=O)[O-] ZINC000038540044 372698803 /nfs/dbraw/zinc/69/88/03/372698803.db2.gz XZSQRPKPRVJMST-UHFFFAOYSA-N 0 0 210.189 1.562 50 5 BDBARN O=C(NCCCO)Nc1cccc([N+](=O)[O-])c1 ZINC000018176902 182170461 /nfs/dbraw/zinc/17/04/61/182170461.db2.gz XLSKEIYPMRSIFF-UHFFFAOYSA-N 0 0 239.231 1.099 50 5 BDBARN O=C(NCCCO)Nc1ccc([N+](=O)[O-])cc1 ZINC000012777208 182171137 /nfs/dbraw/zinc/17/11/37/182171137.db2.gz CRUYRCSDDOSOOK-UHFFFAOYSA-N 0 0 239.231 1.099 50 5 BDBARN O=[N+]([O-])CS(=O)(=O)c1cccc(Cl)c1 ZINC000100375745 182919737 /nfs/dbraw/zinc/91/97/37/182919737.db2.gz IBCPLIUGYBHORX-UHFFFAOYSA-N 0 0 235.648 1.348 50 5 BDBARN O=[N+]([O-])c1cc2c(cc1C1OCCO1)OCO2 ZINC000000338540 182926129 /nfs/dbraw/zinc/92/61/29/182926129.db2.gz LFFPFXZLSNFRBG-UHFFFAOYSA-N 0 0 239.183 1.369 50 5 BDBARN O=[N+]([O-])c1cccnc1NCc1cc[nH]n1 ZINC000040436298 182953564 /nfs/dbraw/zinc/95/35/64/182953564.db2.gz ZOTNZPZDROCMSJ-UHFFFAOYSA-N 0 0 219.204 1.325 50 5 BDBARN O=c1nc2sccn2c2ccc([N+](=O)[O-])cc12 ZINC000004624536 183011801 /nfs/dbraw/zinc/01/18/01/183011801.db2.gz USFHDXLPJZWSOE-UHFFFAOYSA-N 0 0 247.235 1.817 50 5 BDBARN CCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000001867049 169252778 /nfs/dbraw/zinc/25/27/78/169252778.db2.gz YLLMRPZZVCEHRO-UHFFFAOYSA-N 0 0 208.217 1.735 50 5 BDBARN Cn1nc([N+](=O)[O-])nc1Oc1ccccc1N ZINC000000528472 383874113 /nfs/dbraw/zinc/87/41/13/383874113.db2.gz WUZQPBRFCWOLAW-UHFFFAOYSA-N 0 0 235.203 1.098 50 5 BDBARN COC(=O)c1c(OC)ccc([N+](=O)[O-])c1OC ZINC000000150864 383833641 /nfs/dbraw/zinc/83/36/41/383833641.db2.gz HVVQDBFINNUQBK-UHFFFAOYSA-N 0 0 241.199 1.399 50 5 BDBARN C[C@@H](CO)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000071893737 384022756 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/nfs/dbraw/zinc/15/51/22/386155122.db2.gz KZOYITKRTOGOQH-UHFFFAOYSA-N 0 0 222.244 1.556 50 5 BDBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC1CC1 ZINC000006331598 387369180 /nfs/dbraw/zinc/36/91/80/387369180.db2.gz HMRDSJZRFJPHKS-QPJJXVBHSA-N 0 0 232.239 1.887 50 5 BDBARN COc1cc(N2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000074929917 387451932 /nfs/dbraw/zinc/45/19/32/387451932.db2.gz IRPVQBHMMZEOMC-VIFPVBQESA-N 0 0 238.243 1.174 50 5 BDBARN COc1ncc([N+](=O)[O-])cc1Br ZINC000008698189 388406955 /nfs/dbraw/zinc/40/69/55/388406955.db2.gz VRCSBPXFYAADHQ-UHFFFAOYSA-N 0 0 233.021 1.761 50 5 in-vitro BDBARN CNc1nc(-c2ccncc2)ncc1[N+](=O)[O-] ZINC000004089886 388390480 /nfs/dbraw/zinc/39/04/80/388390480.db2.gz UGPUHQMXWQXECB-UHFFFAOYSA-N 0 0 231.215 1.489 50 5 BDBARN O=C(O[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000107011541 388488896 /nfs/dbraw/zinc/48/88/96/388488896.db2.gz UMUYAUZIMSRRLR-JTQLQIEISA-N 0 0 237.211 1.541 50 5 BDBARN O=[N+]([O-])c1ccc([C@@H]2NCCS2)cc1 ZINC000019911744 388751864 /nfs/dbraw/zinc/75/18/64/388751864.db2.gz FMRGPMCASSSEHQ-SECBINFHSA-N 0 0 210.258 1.930 50 5 BDBARN CSCCCn1ccc(=O)c([N+](=O)[O-])c1 ZINC000095412964 388768189 /nfs/dbraw/zinc/76/81/89/388768189.db2.gz CKCAEQWRUXZOES-UHFFFAOYSA-N 0 0 228.273 1.510 50 5 BDBARN COc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000095857920 388786878 /nfs/dbraw/zinc/78/68/78/388786878.db2.gz FMXDVBRYDYFVGS-UHFFFAOYSA-N 0 0 243.131 1.420 50 5 BDBARN CCN1c2ccc([N+](=O)[O-])cc2O[C@@H](C)C1=O ZINC000011691858 132320137 /nfs/dbraw/zinc/32/01/37/132320137.db2.gz ITIBRWMLVGOVRF-ZETCQYMHSA-N 0 0 236.227 1.729 50 5 BDBARN Cc1cc(N2CCOCC2)ccc1[N+](=O)[O-] ZINC000015443093 132322960 /nfs/dbraw/zinc/32/29/60/132322960.db2.gz IIRHTTDXNXCWHP-UHFFFAOYSA-N 0 0 222.244 1.740 50 5 BDBARN O=C1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000019437727 132325206 /nfs/dbraw/zinc/32/52/06/132325206.db2.gz BOBGISYVOBYUKA-UHFFFAOYSA-N 0 0 221.216 1.159 50 5 BDBARN O=[N+]([O-])c1ccc(N2CCC(CO)CC2)cc1 ZINC000022995849 132332867 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ZINC000035653942 358013026 /nfs/dbraw/zinc/01/30/26/358013026.db2.gz ULRVNIRBWWMQJT-UHFFFAOYSA-N 0 0 246.182 1.960 50 5 BDBARN NC(=O)c1cn(C2CCCC2)nc1[N+](=O)[O-] ZINC000223253462 181308580 /nfs/dbraw/zinc/30/85/80/181308580.db2.gz PQQBKJKHEJKHIK-UHFFFAOYSA-N 0 0 224.220 1.005 50 5 BDBARN COC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC000006824116 360939017 /nfs/dbraw/zinc/93/90/17/360939017.db2.gz DBVLYSUNWRLNSO-SSDOTTSWSA-N 0 0 225.200 1.535 50 5 BDBARN [NH3+][C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)[O-] ZINC000009970343 370573321 /nfs/dbraw/zinc/57/33/21/370573321.db2.gz XKDUODGOACYEEU-SECBINFHSA-N 0 0 249.226 1.031 50 5 in-vitro BDBARN NN=c1[nH]c2ccc([N+](=O)[O-])cc2s1 ZINC000005159047 181520666 /nfs/dbraw/zinc/52/06/66/181520666.db2.gz HCIQJRCGPLSQLH-UHFFFAOYSA-N 0 0 210.218 1.490 50 5 BDBARN Nc1cc(N2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000005063744 181689352 /nfs/dbraw/zinc/68/93/52/181689352.db2.gz UWYIGJBZSJVDAA-UHFFFAOYSA-N 0 0 225.223 1.916 50 5 BDBARN Nc1cc([N+](=O)[O-])ccc1OC(F)F 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182099470 /nfs/dbraw/zinc/09/94/70/182099470.db2.gz RTKDILVULFKIMN-UHFFFAOYSA-N 0 0 224.191 1.626 50 5 BDBARN O=C(NCc1cc[nH]n1)c1ccc([N+](=O)[O-])cc1 ZINC000020607383 182249281 /nfs/dbraw/zinc/24/92/81/182249281.db2.gz NZKQNKFNOUBHGI-UHFFFAOYSA-N 0 0 246.226 1.248 50 5 BDBARN O=C(NCc1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000023641037 182256529 /nfs/dbraw/zinc/25/65/29/182256529.db2.gz TYCABRYNECXZNI-UHFFFAOYSA-N 0 0 245.238 1.853 50 5 BDBARN CCOC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000000083187 170235724 /nfs/dbraw/zinc/23/57/24/170235724.db2.gz DWDRNKYLWMKWTH-UHFFFAOYSA-N 0 0 209.201 1.700 50 5 in-vitro BDBARN O=[N+]([O-])c1cc(Cl)c(F)c(CO)c1 ZINC000068675317 182921561 /nfs/dbraw/zinc/92/15/61/182921561.db2.gz QMPDEYTUSNMXFD-UHFFFAOYSA-N 0 0 205.572 1.880 50 5 BDBARN O=[N+]([O-])c1ccc(CCO)c([N+](=O)[O-])c1 ZINC000016697721 182928640 /nfs/dbraw/zinc/92/86/40/182928640.db2.gz AONMTYOVKUOHQP-UHFFFAOYSA-N 0 0 212.161 1.038 50 5 BDBARN CCCNc1ccc([N+](=O)[O-])cc1C(N)=O ZINC000050744511 169294738 /nfs/dbraw/zinc/29/47/38/169294738.db2.gz ZCTZYXHTDRDNLE-UHFFFAOYSA-N 0 0 223.232 1.516 50 5 BDBARN CCC[C@@H](CC(=O)OCC)C[N+](=O)[O-] ZINC000096032260 169375111 /nfs/dbraw/zinc/37/51/11/169375111.db2.gz CRUVGEHKMFFRSF-QMMMGPOBSA-N 0 0 203.238 1.633 50 5 BDBARN CC(=O)Nc1c(F)cc(F)c(F)c1[N+](=O)[O-] ZINC000004783293 383825489 /nfs/dbraw/zinc/82/54/89/383825489.db2.gz CAJSFXVPIMWHPO-UHFFFAOYSA-N 0 0 234.133 1.971 50 5 in-vitro BDBARN COC(=O)c1ccccc1CC[N+](=O)[O-] ZINC000001385851 383896979 /nfs/dbraw/zinc/89/69/79/383896979.db2.gz NSQWWJPSNYJLSE-UHFFFAOYSA-N 0 0 209.201 1.292 50 5 BDBARN COC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000265854 383991064 /nfs/dbraw/zinc/99/10/64/383991064.db2.gz OYWDFLIPTKVKKY-UHFFFAOYSA-N 0 0 225.156 1.110 50 5 BDBARN Cc1nn(C)c(N2CC[C@@](C)(F)C2)c1[N+](=O)[O-] ZINC000408049060 384181883 /nfs/dbraw/zinc/18/18/83/384181883.db2.gz UWHMLJYHXZRWAB-SNVBAGLBSA-N 0 0 242.254 1.575 50 5 BDBARN CC(=O)n1c(=O)sc2cc([N+](=O)[O-])ccc21 ZINC000000039769 384335941 /nfs/dbraw/zinc/33/59/41/384335941.db2.gz LWERWZAKFWFNQV-UHFFFAOYSA-N 0 0 238.224 1.631 50 5 BDBARN Cn1cc(Cn2ncc(Cl)c2[N+](=O)[O-])cn1 ZINC000013961073 384438604 /nfs/dbraw/zinc/43/86/04/384438604.db2.gz AYZLKBLDSNCZFV-UHFFFAOYSA-N 0 0 241.638 1.227 50 5 BDBARN CCS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000095495688 384928796 /nfs/dbraw/zinc/92/87/96/384928796.db2.gz PMKYHQJHNPJUGQ-UHFFFAOYSA-N 0 0 215.230 1.388 50 5 BDBARN Nn1cnc2cc3ccccc3cc2c1=O ZINC000000001106 385184206 /nfs/dbraw/zinc/18/42/06/385184206.db2.gz CZXUQBVMAUWSBX-UHFFFAOYSA-N 0 0 211.224 1.264 50 5 BDBARN Nc1ncnc(NCc2ccco2)c1[N+](=O)[O-] ZINC000003912526 385940924 /nfs/dbraw/zinc/94/09/24/385940924.db2.gz PKXHMQNSKUWLGZ-UHFFFAOYSA-N 0 0 235.203 1.172 50 5 BDBARN O=Cc1ccc2cccc([N+](=O)[O-])c2n1 ZINC000001526690 386689891 /nfs/dbraw/zinc/68/98/91/386689891.db2.gz QFMSLUNYDZHKBD-UHFFFAOYSA-N 0 0 202.169 1.956 50 5 BDBARN CCC(O)(CC)CNc1c([N+](=O)[O-])ncn1C ZINC000049491033 386698939 /nfs/dbraw/zinc/69/89/39/386698939.db2.gz 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238.243 1.838 50 5 BDBARN CCSc1cc([N+](=O)[O-])ccc1C(N)=O ZINC000000032824 170653873 /nfs/dbraw/zinc/65/38/73/170653873.db2.gz DCLDUWKDRPOGDI-UHFFFAOYSA-N 0 0 226.257 1.806 50 5 BDBARN CC[C@@](C)(O)CNc1ccc([N+](=O)[O-])cn1 ZINC000058245142 171186141 /nfs/dbraw/zinc/18/61/41/171186141.db2.gz RSMFUQXVWIRUMF-SNVBAGLBSA-N 0 0 225.248 1.563 50 5 BDBARN CCn1ncc(Cn2cc([N+](=O)[O-])cn2)c1C ZINC000002537635 172255431 /nfs/dbraw/zinc/25/54/31/172255431.db2.gz RTRZWMAMETWYSO-UHFFFAOYSA-N 0 0 235.247 1.364 50 5 BDBARN CN(C)C(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000000464598 172382069 /nfs/dbraw/zinc/38/20/69/172382069.db2.gz ABXVZVIOAYTALB-UHFFFAOYSA-N 0 0 210.189 1.655 50 5 BDBARN CN(C)C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000037107151 172388980 /nfs/dbraw/zinc/38/89/80/172388980.db2.gz SFSJAOSKCIIEPS-UHFFFAOYSA-N 0 0 237.259 1.363 50 5 BDBARN CNC(=O)c1ccc(-n2cccn2)c([N+](=O)[O-])c1 ZINC000003069975 173310138 /nfs/dbraw/zinc/31/01/38/173310138.db2.gz VQRQIBOJMSTZJT-UHFFFAOYSA-N 0 0 246.226 1.140 50 5 BDBARN COC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000037475443 173859213 /nfs/dbraw/zinc/85/92/13/173859213.db2.gz DQKJPBJOMJODBX-UHFFFAOYSA-N 0 0 214.152 1.103 50 5 BDBARN COCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000000458527 174058313 /nfs/dbraw/zinc/05/83/13/174058313.db2.gz SSTDXVLRBGLKDU-UHFFFAOYSA-N 0 0 244.634 1.833 50 5 BDBARN COCCSc1ccc([N+](=O)[O-])cn1 ZINC000075321197 174377198 /nfs/dbraw/zinc/37/71/98/174377198.db2.gz ZMRLIOQNQDNMRR-UHFFFAOYSA-N 0 0 214.246 1.728 50 5 BDBARN COc1cc(N[C@H](C)CO)c([N+](=O)[O-])cc1F ZINC000097144402 175004456 /nfs/dbraw/zinc/00/44/56/175004456.db2.gz JCKITERLUFWNMJ-ZCFIWIBFSA-N 0 0 244.222 1.535 50 5 BDBARN COc1cc2c(cc1[N+](=O)[O-])O[C@H](C)C2 ZINC000004137200 175026951 /nfs/dbraw/zinc/02/69/51/175026951.db2.gz USEPRRGOEDINQZ-ZCFIWIBFSA-N 0 0 209.201 1.927 50 5 BDBARN COc1ccc(-c2[nH]cnc2[N+](=O)[O-])cc1 ZINC000013118309 175029121 /nfs/dbraw/zinc/02/91/21/175029121.db2.gz YBNIKDPIGCYQIY-UHFFFAOYSA-N 0 0 219.200 1.994 50 5 BDBARN COc1ccc(/C=C/[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000002156117 175048440 /nfs/dbraw/zinc/04/84/40/175048440.db2.gz XNLMAMMETMMUJX-SNAWJCMRSA-N 0 0 224.172 1.851 50 5 BDBARN COc1ccc([N+](=O)[O-])nc1Br ZINC000008737752 175200704 /nfs/dbraw/zinc/20/07/04/175200704.db2.gz ZKEAOLVGPKCNCT-UHFFFAOYSA-N 0 0 233.021 1.761 50 5 in-vitro BDBARN COc1ccc([N+](=O)[O-])c(OC)c1F ZINC000012471403 175201275 /nfs/dbraw/zinc/20/12/75/175201275.db2.gz GUGQUCUSGQOTGG-UHFFFAOYSA-N 0 0 201.153 1.751 50 5 BDBARN CNC(=O)Oc1cc([N+](=O)[O-])cc2cccnc21 ZINC000000273497 642765670 /nfs/dbraw/zinc/76/56/70/642765670.db2.gz BEPBZZRVTQIACK-UHFFFAOYSA-N 0 0 247.210 1.861 50 5 BDBARN CCNS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000037022070 712529292 /nfs/dbraw/zinc/52/92/92/712529292.db2.gz GPGWMFTZWNCACD-UHFFFAOYSA-N 0 0 248.235 1.032 50 5 BDBARN Cc1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1N ZINC000004050393 178270138 /nfs/dbraw/zinc/27/01/38/178270138.db2.gz VOLQVUSPNNDAIX-UHFFFAOYSA-N 0 0 211.177 1.702 50 5 BDBARN Cc1cc([N+](=O)[O-])cc2c1N(C)C(=O)C2=O ZINC000004006300 178270979 /nfs/dbraw/zinc/27/09/79/178270979.db2.gz RCDLLVITVFOKGL-UHFFFAOYSA-N 0 0 220.184 1.062 50 5 BDBARN Nc1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004329314 342820736 /nfs/dbraw/zinc/82/07/36/342820736.db2.gz RAGRTYREMCPEIV-UHFFFAOYSA-N 0 0 201.113 1.224 50 5 BDBARN CCN(c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000216702795 342841548 /nfs/dbraw/zinc/84/15/48/342841548.db2.gz HLMNFWAJDNMSQU-UHFFFAOYSA-N 0 0 244.272 1.381 50 5 BDBARN O=[N+]([O-])c1ccc(N2CCC[C@@H]2CO)c(F)c1 ZINC000042434721 362002536 /nfs/dbraw/zinc/00/25/36/362002536.db2.gz UZFWKPIPYMHVHJ-SECBINFHSA-N 0 0 240.234 1.695 50 5 BDBARN CC(C)CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004590322 342904924 /nfs/dbraw/zinc/90/49/24/342904924.db2.gz DPXAUDVSHNKGLR-UHFFFAOYSA-N 0 0 222.244 1.981 50 5 BDBARN O=[N+]([O-])c1cnn(-c2cccc([N+](=O)[O-])c2)c1 ZINC000005671452 346874120 /nfs/dbraw/zinc/87/41/20/346874120.db2.gz QFFHPGPZLCHVPK-UHFFFAOYSA-N 0 0 234.171 1.689 50 5 BDBARN O=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000003850587 398327027 /nfs/dbraw/zinc/32/70/27/398327027.db2.gz GXHARUBNCVHGDM-UHFFFAOYSA-N 0 0 209.157 1.179 50 5 BDBARN CC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000078149694 259336340 /nfs/dbraw/zinc/33/63/40/259336340.db2.gz HLWMKSWOOCBYDD-UHFFFAOYSA-N 0 0 206.201 1.504 50 5 BDBARN O=c1c([N+](=O)[O-])cccn1Cc1ccc(F)cc1 ZINC000072280388 343133560 /nfs/dbraw/zinc/13/35/60/343133560.db2.gz VAHMQLHUMPUHAR-UHFFFAOYSA-N 0 0 248.213 1.944 50 5 BDBARN O=[N+]([O-])c1ccc(Cl)cc1NCCO ZINC000004677390 343944517 /nfs/dbraw/zinc/94/45/17/343944517.db2.gz LKYIEUZKAAJMSD-UHFFFAOYSA-N 0 0 216.624 1.652 50 5 BDBARN Cc1c(Cl)cc(-n2cnnn2)cc1[N+](=O)[O-] ZINC000000063617 344128532 /nfs/dbraw/zinc/12/85/32/344128532.db2.gz AXJNEWFTODEYNN-UHFFFAOYSA-N 0 0 239.622 1.532 50 5 BDBARN NC(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000145715279 344385677 /nfs/dbraw/zinc/38/56/77/344385677.db2.gz WASHERDYVKIIBK-UHFFFAOYSA-N 0 0 245.032 1.456 50 5 BDBARN 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CCC(CC)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000048544173 168395342 /nfs/dbraw/zinc/39/53/42/168395342.db2.gz QBQOXOHOHHPPNK-UHFFFAOYSA-N 0 0 225.252 1.568 50 5 BDBARN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C1CC1 ZINC000030947867 398322716 /nfs/dbraw/zinc/32/27/16/398322716.db2.gz JUBSKRFXBSEHIZ-UHFFFAOYSA-N 0 0 232.195 1.353 50 5 BDBARN O=[N+]([O-])c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000033921879 343262295 /nfs/dbraw/zinc/26/22/95/343262295.db2.gz QJAZSDUNMYLGQF-UHFFFAOYSA-N 0 0 225.595 1.428 50 5 BDBARN COC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000040845012 343410207 /nfs/dbraw/zinc/41/02/07/343410207.db2.gz ZFELCQQSVRXXGP-UHFFFAOYSA-N 0 0 213.164 1.449 50 5 BDBARN COC(=O)CCSc1ccc([N+](=O)[O-])cn1 ZINC000044676159 343511415 /nfs/dbraw/zinc/51/14/15/343511415.db2.gz XJNUQALOFBVOJH-UHFFFAOYSA-N 0 0 242.256 1.645 50 5 BDBARN Cn1cc(C(=O)c2ccccc2)c([N+](=O)[O-])n1 ZINC000000551121 347001040 /nfs/dbraw/zinc/00/10/40/347001040.db2.gz PKFIQJWTDNDTGI-UHFFFAOYSA-N 0 0 231.211 1.559 50 5 BDBARN 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CCn1c2ccc([N+](=O)[O-])cc2n(CC)c1=O ZINC000000087290 172133460 /nfs/dbraw/zinc/13/34/60/172133460.db2.gz LHKZIUFTPWMHKX-UHFFFAOYSA-N 0 0 235.243 1.751 50 5 BDBARN CN(C[C@H]1CCOC1)c1ccc([N+](=O)[O-])cn1 ZINC000075094633 172834467 /nfs/dbraw/zinc/83/44/67/172834467.db2.gz WUFVQDFUVXHJLB-SECBINFHSA-N 0 0 237.259 1.463 50 5 BDBARN CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004583056 173293175 /nfs/dbraw/zinc/29/31/75/173293175.db2.gz PJZISYPIXAIQQA-UHFFFAOYSA-N 0 0 229.623 2.000 50 5 BDBARN COC(=O)CSc1ncccc1[N+](=O)[O-] ZINC000020135334 173617830 /nfs/dbraw/zinc/61/78/30/173617830.db2.gz BUYTYRDJPVIJOE-UHFFFAOYSA-N 0 0 228.229 1.255 50 5 biogenic,in-vitro BDBARN COCCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000002851238 174325961 /nfs/dbraw/zinc/32/59/61/174325961.db2.gz PNXNXIYSFRLXJD-UHFFFAOYSA-N 0 0 239.231 1.363 50 5 BDBARN COCCOc1cc(F)ccc1[N+](=O)[O-] ZINC000057879745 174367769 /nfs/dbraw/zinc/36/77/69/174367769.db2.gz QSWFKHFKRPAQLI-UHFFFAOYSA-N 0 0 215.180 1.759 50 5 BDBARN 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BDBARN COc1cc(C(C)=O)cc([N+](=O)[O-])c1OC ZINC000002519769 342722225 /nfs/dbraw/zinc/72/22/25/342722225.db2.gz FNVILAFBAWUBRW-UHFFFAOYSA-N 0 0 225.200 1.815 50 5 BDBARN Nc1cc(Cl)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004721727 342751146 /nfs/dbraw/zinc/75/11/46/342751146.db2.gz DJMSRFQEEDIQLX-UHFFFAOYSA-N 0 0 217.568 1.739 50 5 BDBARN Cc1ccc(NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000032931973 342924383 /nfs/dbraw/zinc/92/43/83/342924383.db2.gz JPZQCAVWBQZOSO-NXEZZACHSA-N 0 0 220.228 1.599 50 5 BDBARN O=[N+]([O-])c1ccccc1SN1CCOCC1 ZINC000000497681 346886327 /nfs/dbraw/zinc/88/63/27/346886327.db2.gz OPGVYCMZBAGJPD-UHFFFAOYSA-N 0 0 240.284 1.934 50 5 BDBARN Nc1nc(NCC2CCC2)ncc1[N+](=O)[O-] ZINC000048558965 343342937 /nfs/dbraw/zinc/34/29/37/343342937.db2.gz BTAYPLQSFYJNEL-UHFFFAOYSA-N 0 0 223.236 1.179 50 5 BDBARN CON(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000047219221 343559697 /nfs/dbraw/zinc/55/96/97/343559697.db2.gz NVLIYGJVRHHHQN-UHFFFAOYSA-N 0 0 210.189 1.228 50 5 BDBARN 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BDBARN COc1cc(Cl)c2nonc2c1[N+](=O)[O-] ZINC000004859388 344745279 /nfs/dbraw/zinc/74/52/79/344745279.db2.gz MFEDKUVPKFZVDV-UHFFFAOYSA-N 0 0 229.579 1.793 50 5 BDBARN COc1cc(Br)cnc1[N+](=O)[O-] ZINC000000332012 344701808 /nfs/dbraw/zinc/70/18/08/344701808.db2.gz OLWFTDPHNVYMMN-UHFFFAOYSA-N 0 0 233.021 1.761 50 5 BDBARN O=C1CSC(Nc2ccc([N+](=O)[O-])cc2)=N1 ZINC000004952492 344856809 /nfs/dbraw/zinc/85/68/09/344856809.db2.gz JYLJFZSISBAXEA-UHFFFAOYSA-N 0 0 237.240 1.636 50 5 BDBARN CCN1CC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000189883352 345967442 /nfs/dbraw/zinc/96/74/42/345967442.db2.gz YGSWEFAPOPNQPA-LLVKDONJSA-N 0 0 235.243 1.045 50 5 BDBARN COc1c(N)cc([N+](=O)[O-])c(OC)c1C ZINC000000615886 348660123 /nfs/dbraw/zinc/66/01/23/348660123.db2.gz LXVCBARZMZHCJB-UHFFFAOYSA-N 0 0 212.205 1.503 50 5 BDBARN Cc1nc2nc3nc4ccccc4c-3nn2[nH]1 ZINC000005730854 180114442 /nfs/dbraw/zinc/11/44/42/180114442.db2.gz LJQYEVSJJSYDOW-UHFFFAOYSA-N 0 0 224.227 1.462 50 5 BDBARN Cc1nn(C)c(Oc2cccnc2)c1[N+](=O)[O-] ZINC000078727565 180361384 /nfs/dbraw/zinc/36/13/84/180361384.db2.gz LMCGOWGCTGIZAF-UHFFFAOYSA-N 0 0 234.215 1.824 50 5 BDBARN COC1(C)CN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000428152333 191107505 /nfs/dbraw/zinc/10/75/05/191107505.db2.gz RRCFOTYCBZUPOW-UHFFFAOYSA-N 0 0 223.232 1.215 50 5 BDBARN O=C(c1ccc([N+](=O)[O-])o1)N1CCCCC1 ZINC000016970740 362970642 /nfs/dbraw/zinc/97/06/42/362970642.db2.gz ARPKKCPMBWWWIA-UHFFFAOYSA-N 0 0 224.216 1.814 50 5 BDBARN Cn1cc(NC(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC000025307008 350978965 /nfs/dbraw/zinc/97/89/65/350978965.db2.gz CHMYLQAEQNTFSS-UHFFFAOYSA-N 0 0 246.226 1.581 50 5 BDBARN Cc1cnn(C(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000001054020 350995745 /nfs/dbraw/zinc/99/57/45/350995745.db2.gz DZMHVBFQFZACPB-UHFFFAOYSA-N 0 0 231.211 1.788 50 5 BDBARN O=[N+]([O-])[C@]12C=CO[C@@H]1N1c3ccccc3N[C@@H]12 ZINC000137002566 351222727 /nfs/dbraw/zinc/22/27/27/351222727.db2.gz BQDHZHFNLJYNAL-DCAQKATOSA-N 0 0 231.211 1.144 50 5 BDBARN Cn1c(=O)ccc2cc([N+](=O)[O-])ccc21 ZINC000003086168 180611206 /nfs/dbraw/zinc/61/12/06/180611206.db2.gz FYLDFVUYAHNIOM-UHFFFAOYSA-N 0 0 204.185 1.447 50 5 BDBARN CC(=O)Nc1ccc(/C=C/[N+](=O)[O-])cc1 ZINC000000104555 187755577 /nfs/dbraw/zinc/75/55/77/187755577.db2.gz BWLIIZFNXSJVLW-VOTSOKGWSA-N 0 0 206.201 1.892 50 5 BDBARN Cc1nn(Cc2ccc(C=O)o2)c(C)c1[N+](=O)[O-] ZINC000002505984 187756307 /nfs/dbraw/zinc/75/63/07/187756307.db2.gz IJNGVKGADNONOL-UHFFFAOYSA-N 0 0 249.226 1.862 50 5 BDBARN CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000045164016 352569985 /nfs/dbraw/zinc/56/99/85/352569985.db2.gz WEFPZRYLYMDVLI-UHFFFAOYSA-N 0 0 249.270 1.555 50 5 BDBARN CC(C)[C@H](C)Nc1c([N+](=O)[O-])ncn1C ZINC000008318647 187815433 /nfs/dbraw/zinc/81/54/33/187815433.db2.gz KFRCJAIOZDAQIF-ZETCQYMHSA-N 0 0 212.253 1.785 50 5 BDBARN Cn1nccc1-c1ccccc1[N+](=O)[O-] ZINC000091696007 180828926 /nfs/dbraw/zinc/82/89/26/180828926.db2.gz HHTRZPPRLKTUMB-UHFFFAOYSA-N 0 0 203.201 1.995 50 5 BDBARN Nc1ccc(C(=O)NC2CCCC2)cc1[N+](=O)[O-] ZINC000012730597 353332699 /nfs/dbraw/zinc/33/26/99/353332699.db2.gz YUZBYKFODBFYSW-UHFFFAOYSA-N 0 0 249.270 1.849 50 5 BDBARN CCCCOc1ccc([N+](=O)[O-])cc1C(N)=O ZINC000004181847 353392536 /nfs/dbraw/zinc/39/25/36/353392536.db2.gz DJLJQIWVVGCASV-UHFFFAOYSA-N 0 0 238.243 1.873 50 5 BDBARN CC(C)(CO)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000001233456 188454153 /nfs/dbraw/zinc/45/41/53/188454153.db2.gz OULOSRLXJMGQBI-UHFFFAOYSA-N 0 0 238.243 1.096 50 5 BDBARN CC(=O)N1C(=O)Cc2cc([N+](=O)[O-])ccc21 ZINC000004828172 188457928 /nfs/dbraw/zinc/45/79/28/188457928.db2.gz NBFVFIMXPGSTOC-UHFFFAOYSA-N 0 0 220.184 1.030 50 5 BDBARN COC(=O)COc1c(Cl)cccc1[N+](=O)[O-] ZINC000001441548 355366177 /nfs/dbraw/zinc/36/61/77/355366177.db2.gz KUYRANCDCIREER-UHFFFAOYSA-N 0 0 245.618 1.800 50 5 BDBARN Cn1cc([N+](=O)[O-])c2ccccc2c1=O ZINC000001512636 355929214 /nfs/dbraw/zinc/92/92/14/355929214.db2.gz RYXPUBRGQYMEJB-UHFFFAOYSA-N 0 0 204.185 1.447 50 5 BDBARN C[N@H+](CC(=O)[O-])Cc1cccc([N+](=O)[O-])c1 ZINC000035304257 356790673 /nfs/dbraw/zinc/79/06/73/356790673.db2.gz OPQDVFBBFUAJMG-UHFFFAOYSA-N 0 0 224.216 1.111 50 5 BDBARN NC(=O)c1cccc2nc3ccccc3nc21 ZINC000004942454 358415964 /nfs/dbraw/zinc/41/59/64/358415964.db2.gz KPZYYKDXZKFBQU-UHFFFAOYSA-N 0 0 223.235 1.882 50 5 in-vitro BDBARN COC(=O)CNc1cccc([N+](=O)[O-])c1 ZINC000000292577 358670683 /nfs/dbraw/zinc/67/06/83/358670683.db2.gz FYSBDPODOKCGKN-UHFFFAOYSA-N 0 0 210.189 1.180 50 5 BDBARN COC(=O)c1sc([N+](=O)[O-])cc1NC(C)=O ZINC000039343769 359740527 /nfs/dbraw/zinc/74/05/27/359740527.db2.gz DJPJTIGJPWASOS-UHFFFAOYSA-N 0 0 244.228 1.401 50 5 BDBARN O=[N+]([O-])c1ncn(CCc2ccccc2F)n1 ZINC000390835041 371237864 /nfs/dbraw/zinc/23/78/64/371237864.db2.gz BGCAHHKOPKWAJU-UHFFFAOYSA-N 0 0 236.206 1.568 50 5 BDBARN COC(=O)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000002584492 371602583 /nfs/dbraw/zinc/60/25/83/371602583.db2.gz MJMZBXYBWMBFNY-UHFFFAOYSA-N 0 0 239.227 1.927 50 5 BDBARN CN(N)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000004269013 372186143 /nfs/dbraw/zinc/18/61/43/372186143.db2.gz GBBAZCATUSUQOJ-UHFFFAOYSA-N 0 0 235.165 1.924 50 5 BDBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(-c2cc[nH]n2)s1 ZINC000008684207 372843789 /nfs/dbraw/zinc/84/37/89/372843789.db2.gz LADJOTIRVFRCJJ-UHFFFAOYSA-N 0 0 240.200 1.955 50 5 BDBARN Nc1nccc(Br)c1[N+](=O)[O-] ZINC000039377294 372957555 /nfs/dbraw/zinc/95/75/55/372957555.db2.gz WCHFLLNYYVWJEI-UHFFFAOYSA-N 0 0 218.010 1.335 50 5 BDBARN O=C(NC1=NCCS1)c1ccc([N+](=O)[O-])o1 ZINC000000066698 182093933 /nfs/dbraw/zinc/09/39/33/182093933.db2.gz PHCRJTVFCWFZKO-UHFFFAOYSA-N 0 0 241.228 1.020 50 5 BDBARN O=C1CS[C@H](c2cccc([N+](=O)[O-])c2)N1 ZINC000032190882 182772137 /nfs/dbraw/zinc/77/21/37/182772137.db2.gz ZCDGWKOHOOUVSP-SECBINFHSA-N 0 0 224.241 1.456 50 5 BDBARN O=Cc1ccc(Cn2ccc([N+](=O)[O-])n2)o1 ZINC000002557859 182867578 /nfs/dbraw/zinc/86/75/78/182867578.db2.gz QSMMCMFMKWQZQG-UHFFFAOYSA-N 0 0 221.172 1.245 50 5 BDBARN O=[N+]([O-])c1ccc(N2CCC[C@@H]2CO)cc1 ZINC000004520905 182933251 /nfs/dbraw/zinc/93/32/51/182933251.db2.gz HCVBBVTZZJFVLA-LLVKDONJSA-N 0 0 222.244 1.556 50 5 BDBARN O=[N+]([O-])c1ccc(N2CC(F)(F)C2)nc1 ZINC000115234751 182933784 /nfs/dbraw/zinc/93/37/84/182933784.db2.gz YSTMHIXCNQODKK-UHFFFAOYSA-N 0 0 215.159 1.445 50 5 BDBARN O=[N+]([O-])c1n[nH]nc1-c1cccc([N+](=O)[O-])c1 ZINC000004354755 182942710 /nfs/dbraw/zinc/94/27/10/182942710.db2.gz OJZNCZIBIWCVHY-UHFFFAOYSA-N 0 0 235.159 1.288 50 5 BDBARN O=[N+]([O-])c1ccc(OC[C@@H]2CCCCO2)nc1 ZINC000067802469 182938668 /nfs/dbraw/zinc/93/86/68/182938668.db2.gz RNEHHMCDKCMMJP-JTQLQIEISA-N 0 0 238.243 1.938 50 5 BDBARN O=[N+]([O-])c1ccc(OCC2CC2)nc1F ZINC000261493674 182938998 /nfs/dbraw/zinc/93/89/98/182938998.db2.gz GWDFGVZTTAZFLQ-UHFFFAOYSA-N 0 0 212.180 1.918 50 5 BDBARN O=[N+]([O-])c1cnn(-c2ncnc3sccc32)c1 ZINC000072310929 182959940 /nfs/dbraw/zinc/95/99/40/182959940.db2.gz DALCAZMIJYRCHK-UHFFFAOYSA-N 0 0 247.239 1.785 50 5 BDBARN COc1ccc(Cn2ccnc2)cc1[N+](=O)[O-] ZINC000000179284 383863431 /nfs/dbraw/zinc/86/34/31/383863431.db2.gz UVPLMRZBQGZRDD-UHFFFAOYSA-N 0 0 233.227 1.848 50 5 BDBARN CC(C)(CO)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000306438 384020024 /nfs/dbraw/zinc/02/00/24/384020024.db2.gz CRJGCGMJTZVKNB-UHFFFAOYSA-N 0 0 238.243 1.096 50 5 BDBARN Nc1nc2cc(Cl)cc([N+](=O)[O-])c2o1 ZINC000071981121 384192221 /nfs/dbraw/zinc/19/22/21/384192221.db2.gz HIBJGONRFGFVHY-UHFFFAOYSA-N 0 0 213.580 1.972 50 5 BDBARN Cc1onc(C(=O)NC(C)C)c1[N+](=O)[O-] ZINC000004937416 384259135 /nfs/dbraw/zinc/25/91/35/384259135.db2.gz OTXQDIZQDZHXQD-UHFFFAOYSA-N 0 0 213.193 1.029 50 5 BDBARN CC(=O)Nc1ccc(-c2c[nH]cn2)cc1[N+](=O)[O-] ZINC000004728698 384241968 /nfs/dbraw/zinc/24/19/68/384241968.db2.gz CNMVOBDYQHOUCH-UHFFFAOYSA-N 0 0 246.226 1.943 50 5 BDBARN CC(C)n1nnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000000090104 384301622 /nfs/dbraw/zinc/30/16/22/384301622.db2.gz DKIRHMWYJOROFI-UHFFFAOYSA-N 0 0 233.231 1.829 50 5 BDBARN CC(=O)Nc1c(F)cc(F)cc1[N+](=O)[O-] ZINC000004392724 384341777 /nfs/dbraw/zinc/34/17/77/384341777.db2.gz ZBECJQMWJBFRCL-UHFFFAOYSA-N 0 0 216.143 1.831 50 5 BDBARN Cc1cc(N)n(-c2ccccc2[N+](=O)[O-])n1 ZINC000004428145 384365171 /nfs/dbraw/zinc/36/51/71/384365171.db2.gz YYJALRXRVURVEW-UHFFFAOYSA-N 0 0 218.216 1.671 50 5 BDBARN O=[N+]([O-])c1ccc(OC2CCOCC2)nc1F ZINC000261493727 384330678 /nfs/dbraw/zinc/33/06/78/384330678.db2.gz IBRQRCRKGPLDCI-UHFFFAOYSA-N 0 0 242.206 1.687 50 5 BDBARN O=Cc1coc2c(cc(F)cc2[N+](=O)[O-])c1=O ZINC000000058295 384445651 /nfs/dbraw/zinc/44/56/51/384445651.db2.gz MFTIKIFELZBYLH-UHFFFAOYSA-N 0 0 237.142 1.653 50 5 BDBARN CC(=O)C(=C(C)O)c1ccc([N+](=O)[O-])cc1 ZINC000100415908 384639474 /nfs/dbraw/zinc/63/94/74/384639474.db2.gz IBXXQJNVHFSRAV-UHFFFAOYSA-N 0 0 221.212 1.856 50 5 BDBARN O=[N+]([O-])[C@@H]1Cc2ccccc2C[C@@H]1[N+](=O)[O-] ZINC000100717763 384651830 /nfs/dbraw/zinc/65/18/30/384651830.db2.gz NNPGXYAKOPSUAI-AOOOYVTPSA-N 0 0 222.200 1.076 50 5 BDBARN O=Cc1ncc(Br)cc1[N+](=O)[O-] ZINC000072193757 385039498 /nfs/dbraw/zinc/03/94/98/385039498.db2.gz HDDQWSRCVIZQIJ-UHFFFAOYSA-N 0 0 231.005 1.565 50 5 in-vitro BDBARN Cn1nc([N+](=O)[O-])nc1Oc1ccccc1F ZINC000000528739 385429870 /nfs/dbraw/zinc/42/98/70/385429870.db2.gz HZUOUSAGAHJDRC-UHFFFAOYSA-N 0 0 238.178 1.655 50 5 BDBARN O=[N+]([O-])c1cc([N+](=O)[O-])cc(-n2cccn2)c1 ZINC000015084453 385618584 /nfs/dbraw/zinc/61/85/84/385618584.db2.gz XZXDFDQARZEDEW-UHFFFAOYSA-N 0 0 234.171 1.689 50 5 BDBARN O=[N+]([O-])c1ccccc1CSC[C@H](O)CO ZINC000086660434 386270759 /nfs/dbraw/zinc/27/07/59/386270759.db2.gz NKXJHFUYKHKQSS-SECBINFHSA-N 0 0 243.284 1.181 50 5 BDBARN Nc1cc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000011851098 256515789 /nfs/dbraw/zinc/51/57/89/256515789.db2.gz NGNUZXQASHTALT-UHFFFAOYSA-N 0 0 205.173 1.832 50 5 BDBARN CCNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000039956535 388257112 /nfs/dbraw/zinc/25/71/12/388257112.db2.gz UVWSVWWTGXMSAI-UHFFFAOYSA-N 0 0 225.204 1.208 50 5 BDBARN CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000170615557 388257791 /nfs/dbraw/zinc/25/77/91/388257791.db2.gz KQSHJPSUHROWMW-UHFFFAOYSA-N 0 0 230.245 1.040 50 5 BDBARN O=[N+]([O-])c1cc(F)ccc1-n1ccnc1 ZINC000057681844 388365819 /nfs/dbraw/zinc/36/58/19/388365819.db2.gz XIWWYGYEZIMEPR-UHFFFAOYSA-N 0 0 207.164 1.920 50 5 BDBARN Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000017354435 388403227 /nfs/dbraw/zinc/40/32/27/388403227.db2.gz XAPNDVNSXWXPJS-UHFFFAOYSA-N 0 0 222.229 1.696 50 5 BDBARN CC(C)[C@H](C)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000009218454 388423905 /nfs/dbraw/zinc/42/39/05/388423905.db2.gz SNLVNVKYRDGJBU-QMMMGPOBSA-N 0 0 239.275 1.708 50 5 BDBARN O=[N+]([O-])c1ncn(CCc2ccccc2)n1 ZINC000009142809 388675342 /nfs/dbraw/zinc/67/53/42/388675342.db2.gz SBURHNKYMHPROC-UHFFFAOYSA-N 0 0 218.216 1.429 50 5 BDBARN O=[N+]([O-])c1ccc(N2CC[C@@H](CCO)C2)cc1 ZINC000078366041 388680654 /nfs/dbraw/zinc/68/06/54/388680654.db2.gz HPGXTVMKPMMTIG-JTQLQIEISA-N 0 0 236.271 1.804 50 5 BDBARN COCc1cc([N+](=O)[O-])ccc1N[C@@H](C)CO ZINC000091485296 388632570 /nfs/dbraw/zinc/63/25/70/388632570.db2.gz QHUCCCDVRBYFSA-QMMMGPOBSA-N 0 0 240.259 1.534 50 5 BDBARN O=[N+]([O-])C1C[C@@H]1c1nc(-c2ccccn2)no1 ZINC000078773847 388739272 /nfs/dbraw/zinc/73/92/72/388739272.db2.gz KXLAALQGXPRWOC-XPUUQOCRSA-N 0 0 232.199 1.264 50 5 BDBARN CC(C)(C)[C@H](O)CNc1ccncc1[N+](=O)[O-] ZINC000079002769 388742977 /nfs/dbraw/zinc/74/29/77/388742977.db2.gz VEJHEOIMZQPTEJ-SNVBAGLBSA-N 0 0 239.275 1.809 50 5 BDBARN CN(Cc1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000081091093 388717395 /nfs/dbraw/zinc/71/73/95/388717395.db2.gz GGGZUBSVCSPFRW-UHFFFAOYSA-N 0 0 246.270 1.965 50 5 BDBARN C[C@@H]1CN(c2ncccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000020421130 132331351 /nfs/dbraw/zinc/33/13/51/132331351.db2.gz GFSGRMTXKGSLNZ-RKDXNWHRSA-N 0 0 237.259 1.603 50 5 BDBARN Cc1cc(N2CCOCC2)cc([N+](=O)[O-])c1N ZINC000035904940 132339944 /nfs/dbraw/zinc/33/99/44/132339944.db2.gz BQZOMWPTJWWTMQ-UHFFFAOYSA-N 0 0 237.259 1.322 50 5 BDBARN CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047911118 132355291 /nfs/dbraw/zinc/35/52/91/132355291.db2.gz ZEVQFEXNVZZJNM-UHFFFAOYSA-N 0 0 249.270 1.263 50 5 BDBARN NNc1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000013609504 398048942 /nfs/dbraw/zinc/04/89/42/398048942.db2.gz ZCJQHDZDDSXNDY-UHFFFAOYSA-N 0 0 232.583 1.442 50 5 BDBARN Cc1[nH]c(=O)c(Br)cc1[N+](=O)[O-] ZINC000021981968 398088547 /nfs/dbraw/zinc/08/85/47/398088547.db2.gz TZYNRASKYAQOML-UHFFFAOYSA-N 0 0 233.021 1.354 50 5 BDBARN CC(=O)c1cc2ccc([N+](=O)[O-])cc2oc1=O ZINC000000195128 166450012 /nfs/dbraw/zinc/45/00/12/166450012.db2.gz RNXQGRCOCFLGCM-UHFFFAOYSA-N 0 0 233.179 1.904 50 5 biogenic BDBARN CC(C)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000008777318 166964259 /nfs/dbraw/zinc/96/42/59/166964259.db2.gz FWPWSDMMTZBAIP-UHFFFAOYSA-N 0 0 248.238 1.847 50 5 BDBARN CC(C)Nc1ncnc(Cl)c1[N+](=O)[O-] ZINC000004148945 167151699 /nfs/dbraw/zinc/15/16/99/167151699.db2.gz UOIJIZBXRZREBE-UHFFFAOYSA-N 0 0 216.628 1.859 50 5 BDBARN CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000003382131 170068762 /nfs/dbraw/zinc/06/87/62/170068762.db2.gz IFONFRSGSVYKPQ-UHFFFAOYSA-N 0 0 224.216 1.110 50 5 BDBARN CCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000081588956 170178650 /nfs/dbraw/zinc/17/86/50/170178650.db2.gz LVXFITAHKJVHQC-UHFFFAOYSA-N 0 0 218.216 1.970 50 5 BDBARN CCOC(=O)COc1ccc(C)cc1[N+](=O)[O-] ZINC000006046804 170228849 /nfs/dbraw/zinc/22/88/49/170228849.db2.gz VAVCBKITIJQNEV-UHFFFAOYSA-N 0 0 239.227 1.845 50 5 BDBARN CCOC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000000110786 170229360 /nfs/dbraw/zinc/22/93/60/170229360.db2.gz WFDWBRDIPYEMDO-UHFFFAOYSA-N 0 0 225.200 1.537 50 5 BDBARN CCOC(=O)Cc1c(OC)cccc1[N+](=O)[O-] ZINC000095708164 170235415 /nfs/dbraw/zinc/23/54/15/170235415.db2.gz MTTAECMRWWLBBF-UHFFFAOYSA-N 0 0 239.227 1.709 50 5 BDBARN CCOC(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-] ZINC000002164708 170248429 /nfs/dbraw/zinc/24/84/29/170248429.db2.gz NYBPNCZBAGRYQA-MRVPVSSYSA-N 0 0 239.227 1.925 50 5 BDBARN CCOC(Cn1nc([N+](=O)[O-])cc1C)OCC ZINC000012395685 170315707 /nfs/dbraw/zinc/31/57/07/170315707.db2.gz IWYPPDHYPBNYKU-UHFFFAOYSA-N 0 0 243.263 1.499 50 5 BDBARN CCn1cc(Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000002537628 172178203 /nfs/dbraw/zinc/17/82/03/172178203.db2.gz ZEKYTKFYEAHHPH-UHFFFAOYSA-N 0 0 221.220 1.056 50 5 BDBARN CNC(=O)c1cc([N+](=O)[O-])ccc1-n1ccnc1 ZINC000226818187 173310237 /nfs/dbraw/zinc/31/02/37/173310237.db2.gz GYLCVQGMJBPOTG-UHFFFAOYSA-N 0 0 246.226 1.140 50 5 BDBARN CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000004216123 173480843 /nfs/dbraw/zinc/48/08/43/173480843.db2.gz SGWXKSCZDKMSLI-UHFFFAOYSA-N 0 0 230.245 1.040 50 5 BDBARN COC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000020297324 173647181 /nfs/dbraw/zinc/64/71/81/173647181.db2.gz ULUUYDFFEJMKES-UHFFFAOYSA-N 0 0 235.199 1.118 50 5 BDBARN COC(=O)c1cc([N+](=O)[O-])c(F)c(F)c1F ZINC000090513185 173861549 /nfs/dbraw/zinc/86/15/49/173861549.db2.gz KLHGRWQHRLWLEB-UHFFFAOYSA-N 0 0 235.117 1.799 50 5 BDBARN COCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000000149959 174058297 /nfs/dbraw/zinc/05/82/97/174058297.db2.gz YQFLEZMVFWIWNJ-UHFFFAOYSA-N 0 0 240.215 1.188 50 5 BDBARN COCCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000071811519 174369142 /nfs/dbraw/zinc/36/91/42/174369142.db2.gz WJTHAZBXYONIPL-UHFFFAOYSA-N 0 0 227.216 1.629 50 5 BDBARN COc1cc(OC)c(OC)cc1/C=C/[N+](=O)[O-] ZINC000000259987 175007356 /nfs/dbraw/zinc/00/73/56/175007356.db2.gz DPZJDIXHUBSWDS-SNAWJCMRSA-N 0 0 239.227 1.960 50 5 biogenic BDBARN COc1cc([N+](=O)[O-])cc(OC)c1OC ZINC000000159154 175017700 /nfs/dbraw/zinc/01/77/00/175017700.db2.gz HZXMMBPRQGKMSW-UHFFFAOYSA-N 0 0 213.189 1.621 50 5 BDBARN COc1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000040457325 175017789 /nfs/dbraw/zinc/01/77/89/175017789.db2.gz KORWLDQABONDQH-UHFFFAOYSA-N 0 0 238.243 1.440 50 5 BDBARN COc1ccc(-c2n[nH]nc2[N+](=O)[O-])cc1 ZINC000096325948 175038350 /nfs/dbraw/zinc/03/83/50/175038350.db2.gz IMEFYZIIZKMOBY-UHFFFAOYSA-N 0 0 220.188 1.389 50 5 BDBARN COc1ccc(CO)c([N+](=O)[O-])c1OC ZINC000000345308 175113517 /nfs/dbraw/zinc/11/35/17/175113517.db2.gz BDBDNDCRZNEDAC-UHFFFAOYSA-N 0 0 213.189 1.104 50 5 BDBARN C[C@H](O)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000000237558 177018812 /nfs/dbraw/zinc/01/88/12/177018812.db2.gz IVFGODDNHJTTBF-YFKPBYRVSA-N 0 0 207.189 1.524 50 5 BDBARN CN(C)c1ncc(Br)cc1[N+](=O)[O-] ZINC000014400971 259305456 /nfs/dbraw/zinc/30/54/56/259305456.db2.gz SZNVATVPNHSUOD-UHFFFAOYSA-N 0 0 246.064 1.818 50 5 BDBARN COc1cc(C(C)=O)c([N+](=O)[O-])cc1OC ZINC000000500791 342689203 /nfs/dbraw/zinc/68/92/03/342689203.db2.gz ZVLFGESHYMKNQP-UHFFFAOYSA-N 0 0 225.200 1.815 50 5 BDBARN CC1([N+](=O)[O-])COC2(CCCC2)OC1 ZINC000001566607 342703457 /nfs/dbraw/zinc/70/34/57/342703457.db2.gz IUTLIUPPLQVAMX-UHFFFAOYSA-N 0 0 201.222 1.339 50 5 BDBARN Cn1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000014123036 342877145 /nfs/dbraw/zinc/87/71/45/342877145.db2.gz XFRUHMOAIKVIPM-UHFFFAOYSA-N 0 0 246.226 1.581 50 5 BDBARN C[C@H](O)CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004358707 342856442 /nfs/dbraw/zinc/85/64/42/342856442.db2.gz MIHIEAVBDFASSU-LURJTMIESA-N 0 0 241.203 1.296 50 5 BDBARN Cc1ccc(NC(=O)[C@H]2CC2[N+](=O)[O-])cc1 ZINC000032931971 342924424 /nfs/dbraw/zinc/92/44/24/342924424.db2.gz JPZQCAVWBQZOSO-UWVGGRQHSA-N 0 0 220.228 1.599 50 5 BDBARN O=[N+]([O-])c1cccc(OCCn2ccnn2)c1 ZINC000128054703 398333740 /nfs/dbraw/zinc/33/37/40/398333740.db2.gz VQGICNKQORNQTB-UHFFFAOYSA-N 0 0 234.215 1.265 50 5 BDBARN O=[N+]([O-])c1ccc([C@H]2OCOC[C@H]2O)cc1 ZINC000000031380 344016280 /nfs/dbraw/zinc/01/62/80/344016280.db2.gz JEAGEBJAKVKMBE-NXEZZACHSA-N 0 0 225.200 1.001 50 5 BDBARN Cc1c(Br)c(=O)[nH]cc1[N+](=O)[O-] ZINC000032914813 343244008 /nfs/dbraw/zinc/24/40/08/343244008.db2.gz JJTIUCLTXGGQCH-UHFFFAOYSA-N 0 0 233.021 1.354 50 5 in-vitro BDBARN O=C1CCCc2cc([N+](=O)[O-])ccc2N1 ZINC000004747674 344154840 /nfs/dbraw/zinc/15/48/40/344154840.db2.gz ASVGSXZZZWXPRE-UHFFFAOYSA-N 0 0 206.201 1.870 50 5 BDBARN CC(C)C(=O)Nc1ncc([N+](=O)[O-])s1 ZINC000004814232 344272381 /nfs/dbraw/zinc/27/23/81/344272381.db2.gz CCAOSTVRUDNJSB-UHFFFAOYSA-N 0 0 215.234 1.646 50 5 BDBARN Cc1ccc([N+](=O)[O-])cc1NS(C)(=O)=O ZINC000000093583 344328454 /nfs/dbraw/zinc/32/84/54/344328454.db2.gz VBAPIAUYXZTCCW-UHFFFAOYSA-N 0 0 230.245 1.275 50 5 BDBARN COC(=O)[C@@H]1Cc2ccc([N+](=O)[O-])cc2N1 ZINC000044138724 344399893 /nfs/dbraw/zinc/39/98/93/344399893.db2.gz PEFQAKIOILEYAZ-VIFPVBQESA-N 0 0 222.200 1.104 50 5 BDBARN COC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000004893708 344779628 /nfs/dbraw/zinc/77/96/28/344779628.db2.gz VTATWAAUIITNPU-UHFFFAOYSA-N 0 0 226.188 1.782 50 5 BDBARN O=[N+]([O-])c1cccnc1-n1nnc2ccccc21 ZINC000008056191 344928134 /nfs/dbraw/zinc/92/81/34/344928134.db2.gz WOJZGKORHYXFES-UHFFFAOYSA-N 0 0 241.210 1.724 50 5 BDBARN O=C1CCC(=O)N1c1ccccc1[N+](=O)[O-] ZINC000005091238 344939070 /nfs/dbraw/zinc/93/90/70/344939070.db2.gz LRSVOVGJEHQTBL-UHFFFAOYSA-N 0 0 220.184 1.248 50 5 BDBARN CC(=O)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000449450 345758625 /nfs/dbraw/zinc/75/86/25/345758625.db2.gz KQAQKCOLRNMYFK-UHFFFAOYSA-N 0 0 222.200 1.512 50 5 BDBARN COC(=O)Cc1ccc([N+](=O)[O-])c(C)c1 ZINC000034145829 346209016 /nfs/dbraw/zinc/20/90/16/346209016.db2.gz GYUDCBWIPGOCFS-UHFFFAOYSA-N 0 0 209.201 1.619 50 5 BDBARN O=[N+]([O-])c1ccccc1NCn1cncn1 ZINC000005331516 346188661 /nfs/dbraw/zinc/18/86/61/346188661.db2.gz VJSUZKSQWGTFGV-UHFFFAOYSA-N 0 0 219.204 1.256 50 5 BDBARN COc1c2c(cc(C=O)c1[N+](=O)[O-])OCO2 ZINC000034384734 346257144 /nfs/dbraw/zinc/25/71/44/346257144.db2.gz XZNXGGHGXIAORV-UHFFFAOYSA-N 0 0 225.156 1.145 50 5 BDBARN Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000005297354 180087112 /nfs/dbraw/zinc/08/71/12/180087112.db2.gz HQZNVJXYOZAFJI-UHFFFAOYSA-N 0 0 222.160 1.688 50 5 BDBARN O=[N+]([O-])c1cncc(Br)c1 ZINC000014982289 350228088 /nfs/dbraw/zinc/22/80/88/350228088.db2.gz WHYJVHQKKJHXTB-UHFFFAOYSA-N 0 0 202.995 1.752 50 5 BDBARN COc1cc(OC)c([N+](=O)[O-])c2nonc21 ZINC000000251509 191117189 /nfs/dbraw/zinc/11/71/89/191117189.db2.gz XGEJUCXWPDUFGL-UHFFFAOYSA-N 0 0 225.160 1.148 50 5 BDBARN CC(=O)OCCOc1ccc([N+](=O)[O-])cc1 ZINC000001577343 191117924 /nfs/dbraw/zinc/11/79/24/191117924.db2.gz GWMKUZOZXKQDFF-UHFFFAOYSA-N 0 0 225.200 1.537 50 5 BDBARN O=C1CSc2cc([N+](=O)[O-])ccc2N1 ZINC000005810511 350813843 /nfs/dbraw/zinc/81/38/43/350813843.db2.gz OOICZQBVVODNDJ-UHFFFAOYSA-N 0 0 210.214 1.639 50 5 BDBARN Cn1cc([N+](=O)[O-])c(C(=O)NC2CCCC2)n1 ZINC000000996219 350964952 /nfs/dbraw/zinc/96/49/52/350964952.db2.gz JSDWYYPTKJHVLK-UHFFFAOYSA-N 0 0 238.247 1.001 50 5 BDBARN Cn1cc(NC(=O)c2ccc([N+](=O)[O-])o2)cn1 ZINC000025311724 350985605 /nfs/dbraw/zinc/98/56/05/350985605.db2.gz OVJCCFFOOBGRKL-UHFFFAOYSA-N 0 0 236.187 1.174 50 5 BDBARN Cn1cnc([N+](=O)[O-])c1N1CCCCC1 ZINC000004729036 180772064 /nfs/dbraw/zinc/77/20/64/180772064.db2.gz NKEBPMPZKOQQGH-UHFFFAOYSA-N 0 0 210.237 1.319 50 5 BDBARN CC(C)([C@@H](O)c1cccc([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000003080637 188456272 /nfs/dbraw/zinc/45/62/72/188456272.db2.gz GOTKUKFYSUDYKZ-VIFPVBQESA-N 0 0 240.215 1.684 50 5 BDBARN NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000086012976 181246377 /nfs/dbraw/zinc/24/63/77/181246377.db2.gz UBQKJSYEDMRTBO-UHFFFAOYSA-N 0 0 219.200 1.104 50 5 BDBARN CCCCN(C)c1ncnc(NC)c1[N+](=O)[O-] ZINC000013004647 358140898 /nfs/dbraw/zinc/14/08/98/358140898.db2.gz ULEGWIQJJCCGLZ-UHFFFAOYSA-N 0 0 239.279 1.663 50 5 BDBARN O=C1Cc2cc([N+](=O)[O-])c(Cl)cc2N1 ZINC000012480641 370879949 /nfs/dbraw/zinc/87/99/49/370879949.db2.gz KKHHDJYQGADKEQ-UHFFFAOYSA-N 0 0 212.592 1.743 50 5 BDBARN O=[N+]([O-])c1ccc(CCN2CCOCC2)cc1 ZINC000020412961 371279530 /nfs/dbraw/zinc/27/95/30/371279530.db2.gz GFFZFWAUXAFCSY-UHFFFAOYSA-N 0 0 236.271 1.470 50 5 BDBARN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCC1 ZINC000021113385 371360027 /nfs/dbraw/zinc/36/00/27/371360027.db2.gz WJZGUFLQOXEESM-UHFFFAOYSA-N 0 0 223.232 1.169 50 5 BDBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCSC1 ZINC000002696758 371630455 /nfs/dbraw/zinc/63/04/55/371630455.db2.gz JKEFHTUNNALUDO-UHFFFAOYSA-N 0 0 238.268 1.741 50 5 BDBARN CCN(CC)C(=O)c1nn(C)c(C)c1[N+](=O)[O-] ZINC000002778900 371656748 /nfs/dbraw/zinc/65/67/48/371656748.db2.gz WGSVPDMMFKEEED-UHFFFAOYSA-N 0 0 240.263 1.119 50 5 BDBARN O=c1[nH]c2c(cc([N+](=O)[O-])cc2[N+](=O)[O-])o1 ZINC000002944068 371709702 /nfs/dbraw/zinc/70/97/02/371709702.db2.gz WOYSNBCUACAGHS-UHFFFAOYSA-N 0 0 225.116 1.350 50 5 biogenic BDBARN O=[N+]([O-])c1ccc([C@H]2OC[C@H](CO)O2)cc1 ZINC000003074154 371864226 /nfs/dbraw/zinc/86/42/26/371864226.db2.gz IMPGLXDVAYTZLH-UWVGGRQHSA-N 0 0 225.200 1.001 50 5 BDBARN O=C1N=NC(c2cccc([N+](=O)[O-])c2)O1 ZINC000039284294 372928295 /nfs/dbraw/zinc/92/82/95/372928295.db2.gz MVNRZPOCXZUMNP-UHFFFAOYSA-N 0 0 207.145 1.350 50 5 BDBARN O=C(NC1CC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000032765441 182101862 /nfs/dbraw/zinc/10/18/62/182101862.db2.gz XEMIIEUPJOYCAI-UHFFFAOYSA-N 0 0 246.226 1.363 50 5 BDBARN O=C(NCCCF)Nc1ccncc1[N+](=O)[O-] ZINC000097080961 182166924 /nfs/dbraw/zinc/16/69/24/182166924.db2.gz ZWFKLRFVNHUDFW-UHFFFAOYSA-N 0 0 242.210 1.471 50 5 BDBARN COc1c([N+](=O)[O-])cc(C=O)cc1[N+](=O)[O-] ZINC000041120863 374111927 /nfs/dbraw/zinc/11/19/27/374111927.db2.gz DYWSJJHARHAYDC-UHFFFAOYSA-N 0 0 226.144 1.324 50 5 BDBARN O=[N+]([O-])c1cc(Cl)ccc1-n1cncn1 ZINC000036617320 182921916 /nfs/dbraw/zinc/92/19/16/182921916.db2.gz QCRQIEXBUXTGOP-UHFFFAOYSA-N 0 0 224.607 1.829 50 5 BDBARN O=[N+]([O-])c1ccc(CSC[C@@H](O)CO)cc1 ZINC000086660307 182930404 /nfs/dbraw/zinc/93/04/04/182930404.db2.gz BJEPXDAZPNBFRN-JTQLQIEISA-N 0 0 243.284 1.181 50 5 BDBARN O=c1ccc([N+](=O)[O-])cn1Cc1ccccn1 ZINC000031672658 183001418 /nfs/dbraw/zinc/00/14/18/183001418.db2.gz AAXGFMMSNSNABY-UHFFFAOYSA-N 0 0 231.211 1.200 50 5 BDBARN CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000113700114 169250447 /nfs/dbraw/zinc/25/04/47/169250447.db2.gz NJHZIGLBBDGKHK-UHFFFAOYSA-N 0 0 226.207 1.874 50 5 BDBARN CC(=O)Nc1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000000170669 383864422 /nfs/dbraw/zinc/86/44/22/383864422.db2.gz WYEPRMHEKVKNRJ-UHFFFAOYSA-N 0 0 246.226 1.943 50 5 BDBARN CC(=O)n1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000000347853 384099459 /nfs/dbraw/zinc/09/94/59/384099459.db2.gz HSWDENNJSOASJE-UHFFFAOYSA-N 0 0 222.156 1.163 50 5 BDBARN COC[C@H](O)CNc1ccccc1[N+](=O)[O-] ZINC000071909627 384160246 /nfs/dbraw/zinc/16/02/46/384160246.db2.gz GJKLHYGDIDKCEB-MRVPVSSYSA-N 0 0 226.232 1.014 50 5 BDBARN CNc1cc(Cl)c2nonc2c1[N+](=O)[O-] ZINC000004894752 384195058 /nfs/dbraw/zinc/19/50/58/384195058.db2.gz BPSVRTPLRKLEPP-UHFFFAOYSA-N 0 0 228.595 1.826 50 5 BDBARN O=[N+]([O-])c1cn(CC2CC(F)(F)C2)cn1 ZINC000336276059 384197610 /nfs/dbraw/zinc/19/76/10/384197610.db2.gz GEOQRLCWHKYYGI-UHFFFAOYSA-N 0 0 217.175 1.837 50 5 BDBARN COC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000034563243 385268603 /nfs/dbraw/zinc/26/86/03/385268603.db2.gz QAORUQFQPFOSBF-UHFFFAOYSA-N 0 0 209.201 1.998 50 5 BDBARN Nc1ncnc(Oc2ccccc2)c1[N+](=O)[O-] ZINC000003912739 385940099 /nfs/dbraw/zinc/94/00/99/385940099.db2.gz YKKCGPMTPDGQHC-UHFFFAOYSA-N 0 0 232.199 1.759 50 5 BDBARN Cn1cc(CCCn2cc([N+](=O)[O-])cn2)cn1 ZINC000088239766 386941344 /nfs/dbraw/zinc/94/13/44/386941344.db2.gz INDQCIASLKYUSL-UHFFFAOYSA-N 0 0 235.247 1.158 50 5 BDBARN O=CNc1cccc(Br)c1[N+](=O)[O-] ZINC000040456592 387676378 /nfs/dbraw/zinc/67/63/78/387676378.db2.gz XWMXJFWDNJOTJI-UHFFFAOYSA-N 0 0 245.032 1.926 50 5 BDBARN CS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000042684383 388101901 /nfs/dbraw/zinc/10/19/01/388101901.db2.gz NIAYCKUEQBPTDM-UHFFFAOYSA-N 0 0 219.193 1.137 50 5 BDBARN CCC1(O)CN(c2ncc(C)cc2[N+](=O)[O-])C1 ZINC000090692785 388471833 /nfs/dbraw/zinc/47/18/33/388471833.db2.gz KFNXXGRTXYOOJL-UHFFFAOYSA-N 0 0 237.259 1.259 50 5 BDBARN O=[N+]([O-])c1ccc([C@@H]2OCN3COC[C@@H]23)cc1 ZINC000019203807 388737188 /nfs/dbraw/zinc/73/71/88/388737188.db2.gz DBDXAJVSKWAGLH-QWRGUYRKSA-N 0 0 236.227 1.282 50 5 BDBARN COC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000021418701 388810615 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O=[N+]([O-])c1ncn(Cc2cccc(Cl)c2)n1 ZINC000002785617 388350417 /nfs/dbraw/zinc/35/04/17/388350417.db2.gz CHWBRWAYQFXOQT-UHFFFAOYSA-N 0 0 238.634 1.888 50 5 BDBARN CCCCNc1ncnc(N)c1[N+](=O)[O-] ZINC000003912479 388388658 /nfs/dbraw/zinc/38/86/58/388388658.db2.gz MRQPNESUJNVVPT-UHFFFAOYSA-N 0 0 211.225 1.179 50 5 BDBARN COC(=O)c1cccc([N+](=O)[O-])c1NC(C)=O ZINC000004284628 388398628 /nfs/dbraw/zinc/39/86/28/388398628.db2.gz PHFRWNCHBPVTJN-UHFFFAOYSA-N 0 0 238.199 1.340 50 5 BDBARN Cc1c([N+](=O)[O-])c(/C=C/N(C)C)nn1C ZINC000059594385 388398660 /nfs/dbraw/zinc/39/86/60/388398660.db2.gz BGIAMSDXBXSVOK-AATRIKPKSA-N 0 0 210.237 1.169 50 5 BDBARN CC(C)N(C(=O)c1cc([N+](=O)[O-])n[nH]1)C(C)C ZINC000009244244 388425751 /nfs/dbraw/zinc/42/57/51/388425751.db2.gz OVSPBXLITHKPSG-UHFFFAOYSA-N 0 0 240.263 1.577 50 5 BDBARN O=[N+]([O-])c1ccc(Sc2ncc[nH]2)nc1 ZINC000078469543 388681989 /nfs/dbraw/zinc/68/19/89/388681989.db2.gz FANDOHPXMJAUHL-UHFFFAOYSA-N 0 0 222.229 1.864 50 5 BDBARN Cn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000117944388 388726105 /nfs/dbraw/zinc/72/61/05/388726105.db2.gz TVMGAVXSPUAAJH-UHFFFAOYSA-N 0 0 233.021 1.056 50 5 BDBARN C[C@@H]1Oc2cc([N+](=O)[O-])ccc2N(C)C1=O ZINC000020397429 132293532 /nfs/dbraw/zinc/29/35/32/132293532.db2.gz GIKJVVDUPAPCAB-LURJTMIESA-N 0 0 222.200 1.339 50 5 BDBARN O=C1CCCC(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000003086190 132315495 /nfs/dbraw/zinc/31/54/95/132315495.db2.gz FOTPIIAJYGIISN-UHFFFAOYSA-N 0 0 234.211 1.638 50 5 BDBARN O=[N+]([O-])c1ccc(N2CCC(O)CC2)cc1 ZINC000004052629 132316139 /nfs/dbraw/zinc/31/61/39/132316139.db2.gz RNPWPESLLCUROD-UHFFFAOYSA-N 0 0 222.244 1.556 50 5 BDBARN O=[N+]([O-])c1ccc(N2CCC[C@H](O)C2)cc1 ZINC000004773233 132317105 /nfs/dbraw/zinc/31/71/05/132317105.db2.gz QZGBEKMQNFGXSX-NSHDSACASA-N 0 0 222.244 1.556 50 5 BDBARN O=[N+]([O-])c1cnccc1N1CCCCC1 ZINC000019801041 132327176 /nfs/dbraw/zinc/32/71/76/132327176.db2.gz ZITKFLGHHRRQNW-UHFFFAOYSA-N 0 0 207.233 1.980 50 5 BDBARN CC1CCN(c2ccc([N+](=O)[O-])c(N)n2)CC1 ZINC000032826057 132335440 /nfs/dbraw/zinc/33/54/40/132335440.db2.gz BDITWOYVNQHOQD-UHFFFAOYSA-N 0 0 236.275 1.808 50 5 BDBARN O=[N+]([O-])c1cccc(F)c1N1CCOCC1 ZINC000067800471 132390464 /nfs/dbraw/zinc/39/04/64/132390464.db2.gz RVPOFXBMBJKJJK-UHFFFAOYSA-N 0 0 226.207 1.571 50 5 BDBARN C[C@H]1Oc2ccc([N+](=O)[O-])cc2N(C)C1=O ZINC000005721842 132442757 /nfs/dbraw/zinc/44/27/57/132442757.db2.gz DCBVQSIPKBRMKJ-ZCFIWIBFSA-N 0 0 222.200 1.339 50 5 BDBARN COC(=O)c1cc(N)c(Cl)c([N+](=O)[O-])c1 ZINC000032918962 397958219 /nfs/dbraw/zinc/95/82/19/397958219.db2.gz DNGLZBFIGKDACR-UHFFFAOYSA-N 0 0 230.607 1.617 50 5 BDBARN O=C1NCCCCc2sc([N+](=O)[O-])cc21 ZINC000005753750 397983100 /nfs/dbraw/zinc/98/31/00/397983100.db2.gz WSNUKDDUGDESPN-UHFFFAOYSA-N 0 0 226.257 1.722 50 5 BDBARN CC(=O)c1nnn(-c2ccc([N+](=O)[O-])cc2)c1C ZINC000000087292 166490997 /nfs/dbraw/zinc/49/09/97/166490997.db2.gz GRYHGXJSURODIQ-UHFFFAOYSA-N 0 0 246.226 1.687 50 5 BDBARN CC(C)(C)[C@@H](O)CNc1ccncc1[N+](=O)[O-] ZINC000079002775 166700254 /nfs/dbraw/zinc/70/02/54/166700254.db2.gz VEJHEOIMZQPTEJ-JTQLQIEISA-N 0 0 239.275 1.809 50 5 BDBARN CC(C)[C@@H](C)Nc1c([N+](=O)[O-])ncn1C ZINC000008318645 167385634 /nfs/dbraw/zinc/38/56/34/167385634.db2.gz KFRCJAIOZDAQIF-SSDOTTSWSA-N 0 0 212.253 1.785 50 5 BDBARN CCCCNC(=O)Nc1ncc([N+](=O)[O-])s1 ZINC000003819042 411185849 /nfs/dbraw/zinc/18/58/49/411185849.db2.gz VIZDGKDXNCKNQB-UHFFFAOYSA-N 0 0 244.276 1.973 50 5 BDBARN CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000083795116 170100005 /nfs/dbraw/zinc/10/00/05/170100005.db2.gz XKUWFOLUVIUQNO-UHFFFAOYSA-N 0 0 228.635 1.998 50 5 BDBARN CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000005456467 170101230 /nfs/dbraw/zinc/10/12/30/170101230.db2.gz UXBYXADXVPGIPA-UHFFFAOYSA-N 0 0 228.635 1.998 50 5 BDBARN CCNc1ccc(C(=O)OC)cc1[N+](=O)[O-] ZINC000039956292 170173229 /nfs/dbraw/zinc/17/32/29/170173229.db2.gz PGOWZUNCBPVWPL-UHFFFAOYSA-N 0 0 224.216 1.813 50 5 BDBARN CCOC(=O)Cc1cc(F)c(F)c([N+](=O)[O-])c1 ZINC000260313197 170235465 /nfs/dbraw/zinc/23/54/65/170235465.db2.gz XYMVBBSCAJLNHT-UHFFFAOYSA-N 0 0 245.181 1.979 50 5 BDBARN CCOC(=O)Cc1cn2cc([N+](=O)[O-])ccc2n1 ZINC000089201681 170236283 /nfs/dbraw/zinc/23/62/83/170236283.db2.gz NORAQSGGRFQACW-UHFFFAOYSA-N 0 0 249.226 1.348 50 5 BDBARN CCOC(=O)[C@@H](CC)n1nc([N+](=O)[O-])cc1C ZINC000002537595 170251132 /nfs/dbraw/zinc/25/11/32/170251132.db2.gz DMDORBHFKTUDCE-MRVPVSSYSA-N 0 0 241.247 1.614 50 5 BDBARN CCOC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC000004587897 170287450 /nfs/dbraw/zinc/28/74/50/170287450.db2.gz IZEOMSPIIJWRLT-UHFFFAOYSA-N 0 0 219.584 1.148 50 5 BDBARN CC[C@@H](C)C(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C ZINC000012493693 170684856 /nfs/dbraw/zinc/68/48/56/170684856.db2.gz IHCPDBBYTYJYIL-NXEZZACHSA-O 0 0 246.327 1.125 50 5 endogenous,in-man BDBARN CCc1ccc(C(=O)OC)cc1[N+](=O)[O-] ZINC000035333551 171787415 /nfs/dbraw/zinc/78/74/15/171787415.db2.gz YAGPCEXMZGXMLN-UHFFFAOYSA-N 0 0 209.201 1.944 50 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COc1cc(F)c([N+](=O)[O-])c(N[C@@H](C)CO)c1 ZINC000091485277 174992872 /nfs/dbraw/zinc/99/28/72/174992872.db2.gz GYEPZRLPDMJZBY-LURJTMIESA-N 0 0 244.222 1.535 50 5 BDBARN COc1cc([N+](=O)[O-])cc(OC)c1C=O ZINC000261493902 175017625 /nfs/dbraw/zinc/01/76/25/175017625.db2.gz LSBDBSFJYGXOST-UHFFFAOYSA-N 0 0 211.173 1.425 50 5 BDBARN COc1cc([N+](=O)[O-])c(N)c([N+](=O)[O-])c1 ZINC000004352929 175017720 /nfs/dbraw/zinc/01/77/20/175017720.db2.gz GZZJZWYIOOPHOV-UHFFFAOYSA-N 0 0 213.149 1.094 50 5 BDBARN COc1ccc(/C=C/[N+](=O)[O-])cc1OC ZINC000000099489 175048528 /nfs/dbraw/zinc/04/85/28/175048528.db2.gz SYJMYDMKPSZMSB-AATRIKPKSA-N 0 0 209.201 1.951 50 5 biogenic BDBARN C[C@@H](c1nc(C2CC2)no1)n1cc([N+](=O)[O-])cn1 ZINC000097048021 176038072 /nfs/dbraw/zinc/03/80/72/176038072.db2.gz RSSXPFITRVJAHN-LURJTMIESA-N 0 0 249.230 1.661 50 5 BDBARN C[C@@H]1CC(=O)Nc2ccc([N+](=O)[O-])cc2N1C=O ZINC000004143806 176050506 /nfs/dbraw/zinc/05/05/06/176050506.db2.gz BYARTMJTIRRZNS-SSDOTTSWSA-N 0 0 249.226 1.288 50 5 BDBARN C[C@@H]1CC(=O)NN=C1c1ccc(N)c([N+](=O)[O-])c1 ZINC000003878059 176050612 /nfs/dbraw/zinc/05/06/12/176050612.db2.gz QABZKECKKQKKQZ-ZCFIWIBFSA-N 0 0 248.242 1.037 50 5 BDBARN O=[N+]([O-])C1(Br)CCSCC1 ZINC000958528580 644807647 /nfs/dbraw/zinc/80/76/47/644807647.db2.gz QZSNCVXJQMARLR-UHFFFAOYSA-N 0 0 226.095 1.881 50 5 BDBARN CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000042265999 964739602 /nfs/dbraw/zinc/73/96/02/964739602.db2.gz PUOXJFSWIUYLBS-UHFFFAOYSA-N 0 0 248.235 1.032 50 5 BDBARN CC(=O)NC(=S)Nc1cccc([N+](=O)[O-])c1 ZINC000000611101 259300842 /nfs/dbraw/zinc/30/08/42/259300842.db2.gz FSSMGQFWIWWKOG-UHFFFAOYSA-N 0 0 239.256 1.428 50 5 BDBARN O=[N+]([O-])c1cnc(Br)s1 ZINC000001081253 342697181 /nfs/dbraw/zinc/69/71/81/342697181.db2.gz ANIJFZVZXZQFDH-UHFFFAOYSA-N 0 0 209.024 1.814 50 5 in-vitro BDBARN COC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000005880928 342771296 /nfs/dbraw/zinc/77/12/96/342771296.db2.gz NWHFCRJVWNLNHP-ZETCQYMHSA-N 0 0 209.201 1.871 50 5 BDBARN O=c1cc[nH]c2c1ccc1c(=O)cc[nH]c12 ZINC000012341711 342849252 /nfs/dbraw/zinc/84/92/52/342849252.db2.gz SLIBCJURSADKPV-UHFFFAOYSA-N 0 0 212.208 1.370 50 5 biogenic BDBARN COc1cc([N+](=O)[O-])cc(Cl)c1N ZINC000059772982 342861648 /nfs/dbraw/zinc/86/16/48/342861648.db2.gz YRAOKFMNBZXHOM-UHFFFAOYSA-N 0 0 202.597 1.839 50 5 BDBARN CCc1nc(Cn2cnc([N+](=O)[O-])n2)cs1 ZINC000048603234 343380813 /nfs/dbraw/zinc/38/08/13/343380813.db2.gz DUMRYGPLFHFRNG-UHFFFAOYSA-N 0 0 239.260 1.254 50 5 BDBARN CC[C@@H](O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000004602365 343531900 /nfs/dbraw/zinc/53/19/00/343531900.db2.gz DZUGNFDFHOHOMY-SECBINFHSA-N 0 0 239.227 1.809 50 5 BDBARN O=[N+]([O-])c1ccc(NCc2ccccn2)nc1 ZINC000019232725 343683060 /nfs/dbraw/zinc/68/30/60/343683060.db2.gz SZVXACKCKQCFMT-UHFFFAOYSA-N 0 0 230.227 1.997 50 5 BDBARN COC(=O)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000004783133 344232501 /nfs/dbraw/zinc/23/25/01/344232501.db2.gz ISHRIJCPZRRMFE-UHFFFAOYSA-N 0 0 245.618 1.800 50 5 BDBARN [NH3+][C@H](CC(=O)[O-])c1cc([N+](=O)[O-])ccc1Cl ZINC000000112622 344545209 /nfs/dbraw/zinc/54/52/09/344545209.db2.gz ARSCYPUMJQQUAL-MRVPVSSYSA-N 0 0 244.634 1.723 50 5 BDBARN O=[N+]([O-])c1ccc(CN2CCOCC2)c(F)c1 ZINC000114851472 344696699 /nfs/dbraw/zinc/69/66/99/344696699.db2.gz JDROXDHWELAGQF-UHFFFAOYSA-N 0 0 240.234 1.566 50 5 BDBARN COC(=O)c1sccc1CC[N+](=O)[O-] ZINC000000334296 344701788 /nfs/dbraw/zinc/70/17/88/344701788.db2.gz CQHUHSXDVQPPNU-UHFFFAOYSA-N 0 0 215.230 1.354 50 5 BDBARN CON(C)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000038103143 344879809 /nfs/dbraw/zinc/87/98/09/344879809.db2.gz RITRIGGYGGCPCO-UHFFFAOYSA-N 0 0 228.179 1.367 50 5 BDBARN Cn1cnc([N+](=O)[O-])c1NCC[C@@H]1CCCO1 ZINC000024202864 345528093 /nfs/dbraw/zinc/52/80/93/345528093.db2.gz LYZIHGVPDCCOEZ-QMMMGPOBSA-N 0 0 240.263 1.309 50 5 BDBARN O=[N+]([O-])c1ccc(Sc2ncccn2)nc1 ZINC000000469706 345871759 /nfs/dbraw/zinc/87/17/59/345871759.db2.gz DICHPFGLGPMCCG-UHFFFAOYSA-N 0 0 234.240 1.931 50 5 BDBARN CC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000005505808 346243425 /nfs/dbraw/zinc/24/34/25/346243425.db2.gz FXPSKSZDZMYNHZ-UHFFFAOYSA-N 0 0 238.199 1.096 50 5 BDBARN CCOc1ccc(NC(C)=O)cc1[N+](=O)[O-] ZINC000004610610 346606228 /nfs/dbraw/zinc/60/62/28/346606228.db2.gz UOIPFPSGIAWJAQ-UHFFFAOYSA-N 0 0 224.216 1.952 50 5 BDBARN Cc1nc([N+](=O)[O-])cn1-c1ccc(O)cc1 ZINC000000988748 180059774 /nfs/dbraw/zinc/05/97/74/180059774.db2.gz OSELFOVYOQGWIT-UHFFFAOYSA-N 0 0 219.200 1.795 50 5 BDBARN Cc1nn(CCCCCO)c(C)c1[N+](=O)[O-] ZINC000051020238 180387754 /nfs/dbraw/zinc/38/77/54/180387754.db2.gz ZEGGFLCQUAJWRA-UHFFFAOYSA-N 0 0 227.264 1.571 50 5 BDBARN Cc1nnnn1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000188324677 180454365 /nfs/dbraw/zinc/45/43/65/180454365.db2.gz ZUYCLKQJIPIWKU-UHFFFAOYSA-N 0 0 237.194 1.077 50 5 BDBARN O=[N+]([O-])c1cnn(CSc2ccccn2)c1 ZINC000016971860 362973689 /nfs/dbraw/zinc/97/36/89/362973689.db2.gz VKDPHXWWTVJIED-UHFFFAOYSA-N 0 0 236.256 1.936 50 5 BDBARN O=[N+]([O-])c1c(Cl)nc2sccn21 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/nfs/dbraw/zinc/23/50/07/170235007.db2.gz BGHBLVQGSJMUDU-UHFFFAOYSA-N 0 0 245.181 1.979 50 5 BDBARN CCOC(=O)c1cn2cccc([N+](=O)[O-])c2n1 ZINC000000480122 170301021 /nfs/dbraw/zinc/30/10/21/170301021.db2.gz YDLKKFCMWQRERX-UHFFFAOYSA-N 0 0 235.199 1.419 50 5 BDBARN CC[C@H](C)NC(=O)c1noc(C)c1[N+](=O)[O-] ZINC000004937423 171338602 /nfs/dbraw/zinc/33/86/02/171338602.db2.gz HYADUSBDDFTWCK-YFKPBYRVSA-N 0 0 227.220 1.420 50 5 BDBARN CNc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000004982197 173472236 /nfs/dbraw/zinc/47/22/36/173472236.db2.gz MRVNTNUDUAOUIJ-UHFFFAOYSA-N 0 0 210.189 1.423 50 5 BDBARN COC(=O)C1CN(c2ccccc2[N+](=O)[O-])C1 ZINC000090513636 173520464 /nfs/dbraw/zinc/52/04/64/173520464.db2.gz MXPDVSYMACWJGK-UHFFFAOYSA-N 0 0 236.227 1.204 50 5 BDBARN COCOc1cccc([N+](=O)[O-])c1F ZINC000261493567 174432090 /nfs/dbraw/zinc/43/20/90/174432090.db2.gz DSRFLQGMAFLXPX-UHFFFAOYSA-N 0 0 201.153 1.717 50 5 BDBARN COc1c(OC2COC2)cccc1[N+](=O)[O-] ZINC000169725997 174935599 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968818609 /nfs/dbraw/zinc/81/86/09/968818609.db2.gz SFMXJKOCOJUINV-OUAUKWLOSA-N 0 0 231.211 1.053 50 5 BDBARN Cc1cc(N2CCCO2)ncc1[N+](=O)[O-] ZINC000097108353 178114242 /nfs/dbraw/zinc/11/42/42/178114242.db2.gz VVFMINJFHZMPJH-UHFFFAOYSA-N 0 0 209.205 1.440 50 5 BDBARN Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)CCO ZINC000077226171 178275238 /nfs/dbraw/zinc/27/52/38/178275238.db2.gz LHIDPYZLOZXHTG-QMMMGPOBSA-N 0 0 225.248 1.481 50 5 BDBARN Cc1cc([N+](=O)[O-])cnc1N[C@H](C)CCO ZINC000077226172 178275325 /nfs/dbraw/zinc/27/53/25/178275325.db2.gz LHIDPYZLOZXHTG-MRVPVSSYSA-N 0 0 225.248 1.481 50 5 BDBARN Nc1cc2nc3ccccc3nc2cc1N ZINC000003878528 342738646 /nfs/dbraw/zinc/73/86/46/342738646.db2.gz VZPGINJWPPHRLS-UHFFFAOYSA-N 0 0 210.240 1.947 50 5 BDBARN O=[N+]([O-])c1ccc[nH]c1=NN1CCCCC1 ZINC000022798819 342809331 /nfs/dbraw/zinc/80/93/31/342809331.db2.gz LZFQRCNCUGUTLQ-UHFFFAOYSA-N 0 0 222.248 1.803 50 5 BDBARN COC(=O)c1sc([N+](=O)[O-])cc1N ZINC000004324033 342820285 /nfs/dbraw/zinc/82/02/85/342820285.db2.gz WUOQQUBKJDJZJY-UHFFFAOYSA-N 0 0 202.191 1.025 50 5 BDBARN CN(C)c1ncc([N+](=O)[O-])cc1Br ZINC000032599225 342854802 /nfs/dbraw/zinc/85/48/02/342854802.db2.gz MPBCWXXDYWCJSW-UHFFFAOYSA-N 0 0 246.064 1.818 50 5 BDBARN Cc1cc(C)n2nc([N+](=O)[O-])c([N+](=O)[O-])c2n1 ZINC000004357636 342855641 /nfs/dbraw/zinc/85/56/41/342855641.db2.gz LEUYGODKPKTIRH-UHFFFAOYSA-N 0 0 237.175 1.163 50 5 BDBARN Nc1cc(-n2cccn2)c(F)cc1[N+](=O)[O-] ZINC000012926579 342861470 /nfs/dbraw/zinc/86/14/70/342861470.db2.gz GRMJVAQREPBDOV-UHFFFAOYSA-N 0 0 222.179 1.502 50 5 BDBARN C[C@H](CO)NC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000032779572 342875013 /nfs/dbraw/zinc/87/50/13/342875013.db2.gz FOFMTZXZFKAERG-SSDOTTSWSA-N 0 0 239.231 1.097 50 5 BDBARN Cc1cnnn1-c1ccc([N+](=O)[O-])cc1 ZINC000000275681 398333036 /nfs/dbraw/zinc/33/30/36/398333036.db2.gz LNNFWMOIJXTSKK-UHFFFAOYSA-N 0 0 204.189 1.484 50 5 BDBARN O=C(c1ccccc1)n1ccc([N+](=O)[O-])n1 ZINC000000079624 344243444 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/nfs/dbraw/zinc/67/98/28/345679828.db2.gz AUAJVFWTQRHITA-UHFFFAOYSA-N 0 0 231.638 1.602 50 5 BDBARN Cc1ccc(Cn2cnc([N+](=O)[O-])n2)c(C)c1 ZINC000005296876 346179453 /nfs/dbraw/zinc/17/94/53/346179453.db2.gz LSODQPLWVNWNAA-UHFFFAOYSA-N 0 0 232.243 1.851 50 5 BDBARN O=[N+]([O-])c1ccc2c(c1[N+](=O)[O-])OCO2 ZINC000004837050 347373419 /nfs/dbraw/zinc/37/34/19/347373419.db2.gz PAHDCKCVXHLYQB-UHFFFAOYSA-N 0 0 212.117 1.232 50 5 BDBARN Cc1nc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2o1 ZINC000059465415 180087043 /nfs/dbraw/zinc/08/70/43/180087043.db2.gz NWSPVBZIROIWHD-UHFFFAOYSA-N 0 0 223.144 1.953 50 5 BDBARN O=Cc1ccc([N+](=O)[O-])cc1N1CCSC1 ZINC000095081363 191053814 /nfs/dbraw/zinc/05/38/14/191053814.db2.gz GZQHCYFKPBGVCH-UHFFFAOYSA-N 0 0 238.268 1.918 50 5 BDBARN Cc1nccn1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000095974632 180268279 /nfs/dbraw/zinc/26/82/79/180268279.db2.gz CCQPNYQJVXQWHY-LBPRGKRZSA-N 0 0 247.254 1.833 50 5 BDBARN Cc1nnc(COc2ccccc2[N+](=O)[O-])o1 ZINC000007169014 180415881 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/nfs/dbraw/zinc/95/35/58/182953558.db2.gz VUTVSWRKFGCLRI-SECBINFHSA-N 0 0 238.243 1.938 50 5 BDBARN O=[N+]([O-])c1cnn2cc(Br)cnc12 ZINC000001094002 182961185 /nfs/dbraw/zinc/96/11/85/182961185.db2.gz CVNKNIPAWYTDAX-UHFFFAOYSA-N 0 0 243.020 1.400 50 5 BDBARN O=c1ccn(CC2CCCC2)cc1[N+](=O)[O-] ZINC000095412965 183003632 /nfs/dbraw/zinc/00/36/32/183003632.db2.gz PDYZCPJYMWPFIC-UHFFFAOYSA-N 0 0 222.244 1.947 50 5 BDBARN CCCN(CCC)c1ncnc(N)c1[N+](=O)[O-] ZINC000004059592 169154380 /nfs/dbraw/zinc/15/43/80/169154380.db2.gz BCOSNTUHWLUHJG-UHFFFAOYSA-N 0 0 239.279 1.593 50 5 BDBARN Nc1c(N)c2cccnc2c2ncccc12 ZINC000066340191 383858026 /nfs/dbraw/zinc/85/80/26/383858026.db2.gz MNXMBMNXSPNINS-UHFFFAOYSA-N 0 0 210.240 1.947 50 5 BDBARN O=C1NC(=O)c2cc([N+](=O)[O-])cc3cccc1c32 ZINC000000178815 383875554 /nfs/dbraw/zinc/87/55/54/383875554.db2.gz CWVQFVQNUBOYEE-UHFFFAOYSA-N 0 0 242.190 1.632 50 5 BDBARN CC(C)N1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000000225798 383931592 /nfs/dbraw/zinc/93/15/92/383931592.db2.gz IYULYPPVNZZMKW-UHFFFAOYSA-N 0 0 234.211 1.599 50 5 BDBARN CNc1ncnc(SC(C)C)c1[N+](=O)[O-] ZINC000004362539 384336068 /nfs/dbraw/zinc/33/60/68/384336068.db2.gz NDAZOMZXHDJYMW-UHFFFAOYSA-N 0 0 228.277 1.927 50 5 BDBARN O=[N+]([O-])c1ccc([C@H]2OCOC[C@@H]2O)cc1 ZINC000000031378 384337329 /nfs/dbraw/zinc/33/73/29/384337329.db2.gz JEAGEBJAKVKMBE-VHSXEESVSA-N 0 0 225.200 1.001 50 5 BDBARN CS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000044790269 384359175 /nfs/dbraw/zinc/35/91/75/384359175.db2.gz VORWLORGUKZGJZ-UHFFFAOYSA-N 0 0 219.193 1.137 50 5 BDBARN Cc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000000054928 384445905 /nfs/dbraw/zinc/44/59/05/384445905.db2.gz OXBDLEXAVKAJFD-UHFFFAOYSA-N 0 0 215.230 1.307 50 5 BDBARN [NH3+][C@H](Cc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000044283820 384574479 /nfs/dbraw/zinc/57/44/79/384574479.db2.gz UANMRKQAHHCMDR-SSDOTTSWSA-N 0 0 244.634 1.203 50 5 BDBARN O=[N+]([O-])[C@H]1Cc2ccccc2C[C@@H]1[N+](=O)[O-] ZINC000100717766 384651241 /nfs/dbraw/zinc/65/12/41/384651241.db2.gz NNPGXYAKOPSUAI-UWVGGRQHSA-N 0 0 222.200 1.076 50 5 BDBARN O=[N+]([O-])c1cnn(-c2ncc(Cl)cn2)c1 ZINC000084483571 384722719 /nfs/dbraw/zinc/72/27/19/384722719.db2.gz NAPBTEQMSQPVFD-UHFFFAOYSA-N 0 0 225.595 1.224 50 5 BDBARN O=Cc1ccc2cccnc2c1[N+](=O)[O-] ZINC000026438466 384873381 /nfs/dbraw/zinc/87/33/81/384873381.db2.gz CGYVBVWBGRTQJQ-UHFFFAOYSA-N 0 0 202.169 1.956 50 5 BDBARN Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]2CO)c1 ZINC000084726757 384865253 /nfs/dbraw/zinc/86/52/53/384865253.db2.gz STBFYKOLSIEYJH-SNVBAGLBSA-N 0 0 236.271 1.864 50 5 BDBARN c1nnc2nc3[nH]c4ccccc4c3nn12 ZINC000005731713 385045996 /nfs/dbraw/zinc/04/59/96/385045996.db2.gz QCZPWPJGDAKTPY-UHFFFAOYSA-N 0 0 210.200 1.154 50 5 BDBARN O=C(c1ncco1)c1cccc([N+](=O)[O-])c1 ZINC000085651136 385576765 /nfs/dbraw/zinc/57/67/65/385576765.db2.gz GQXPLXSNMIJHBF-UHFFFAOYSA-N 0 0 218.168 1.814 50 5 BDBARN COC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000004137263 386521831 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