smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCC(=O)NC1 ZINC000104247436 178273274 /nfs/dbraw/zinc/27/32/74/178273274.db2.gz XABMRNCKXWIOLB-VIFPVBQESA-N 0 0 249.270 1.594 10 5 BDBERN O=[N+]([O-])C[C@H](O)c1cccc(Br)c1 ZINC000136774967 346854476 /nfs/dbraw/zinc/85/44/76/346854476.db2.gz FPNSSOOFMYVGFF-QMMMGPOBSA-N 0 0 246.060 1.759 10 5 BDBERN O=[N+]([O-])c1ccc(O[C@H]2CCC[C@H]2O)cc1 ZINC000037695576 538963857 /nfs/dbraw/zinc/96/38/57/538963857.db2.gz MDAMELCGMCPLKH-MNOVXSKESA-N 0 0 223.228 1.887 10 5 BDBERN CC1(C)OC[C@@H](c2ccc([N+](=O)[O-])cn2)O1 ZINC000146157638 342767073 /nfs/dbraw/zinc/76/70/73/342767073.db2.gz AVSZFZUKLWAMSD-VIFPVBQESA-N 0 0 224.216 1.814 10 5 BDBERN COc1c(-c2nnc[nH]2)cccc1[N+](=O)[O-] ZINC000150056695 342795980 /nfs/dbraw/zinc/79/59/80/342795980.db2.gz CMGVPTUXPJERNL-UHFFFAOYSA-N 0 0 220.188 1.389 10 5 BDBERN COC(=O)CC1(C[N+](=O)[O-])CCCCC1 ZINC000065748125 361908055 /nfs/dbraw/zinc/90/80/55/361908055.db2.gz PYFQWDMBAIDELB-UHFFFAOYSA-N 0 0 215.249 1.777 10 5 BDBERN CCOC(=O)[C@@](C)(c1ccccc1)[N+](=O)[O-] ZINC000034519362 346888669 /nfs/dbraw/zinc/88/86/69/346888669.db2.gz AMASVTILLYGEAP-LLVKDONJSA-N 0 0 223.228 1.742 10 5 BDBERN CCOC(=O)C(C)(C)c1ccc([N+](=O)[O-])nc1 ZINC000118819022 343057324 /nfs/dbraw/zinc/05/73/24/343057324.db2.gz PVPWJHBBGZIZRY-UHFFFAOYSA-N 0 0 238.243 1.831 10 5 BDBERN O=[N+]([O-])c1ccc2c(c1)n[nH]c2C1OCCO1 ZINC000042689606 362017701 /nfs/dbraw/zinc/01/77/01/362017701.db2.gz IDLMHEVBVQMAEA-UHFFFAOYSA-N 0 0 235.199 1.517 10 5 BDBERN CC(=O)Oc1nc(-n2cccn2)ccc1[N+](=O)[O-] ZINC000005283680 187248222 /nfs/dbraw/zinc/24/82/22/187248222.db2.gz SWOTZBBTCDXBPD-UHFFFAOYSA-N 0 0 248.198 1.101 10 5 BDBERN C[C@H]1OCC[C@@H]1Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000310292072 343411969 /nfs/dbraw/zinc/41/19/69/343411969.db2.gz ZLPMXQSEKCVSEN-SVRRBLITSA-N 0 0 238.247 1.161 10 5 BDBERN CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000081572349 537784672 /nfs/dbraw/zinc/78/46/72/537784672.db2.gz ONKRFPVTDWWZRP-UHFFFAOYSA-N 0 0 234.208 1.105 10 5 BDBERN CC(=O)CN1C(=O)CCc2cc([N+](=O)[O-])ccc21 ZINC000050130565 343610130 /nfs/dbraw/zinc/61/01/30/343610130.db2.gz ABMMYPSVGJDXJN-UHFFFAOYSA-N 0 0 248.238 1.463 10 5 BDBERN COC(OC)[C@@H]1CCC[C@H]1C[N+](=O)[O-] ZINC000205600681 343635381 /nfs/dbraw/zinc/63/53/81/343635381.db2.gz PNDYRHOPIGSGML-JGVFFNPUSA-N 0 0 203.238 1.298 10 5 BDBERN Cc1ccn2c(CO)cnc2c1[N+](=O)[O-] ZINC000536954066 343652962 /nfs/dbraw/zinc/65/29/62/343652962.db2.gz MVGXHHMMHWNBPJ-UHFFFAOYSA-N 0 0 207.189 1.043 10 5 BDBERN O=Cc1cncc([N+](=O)[O-])c1OC(F)(F)F ZINC000309513375 343661762 /nfs/dbraw/zinc/66/17/62/343661762.db2.gz RUOLSTIFHIDOBI-UHFFFAOYSA-N 0 0 236.105 1.701 10 5 BDBERN O=Cc1ccc([N+](=O)[O-])c(O[C@H]2CCOC2)c1 ZINC000070072154 187275096 /nfs/dbraw/zinc/27/50/96/187275096.db2.gz YUPLAATUAHLQIS-VIFPVBQESA-N 0 0 237.211 1.575 10 5 BDBERN COC(=O)c1cc(Cl)ncc1[N+](=O)[O-] ZINC000082369440 344844080 /nfs/dbraw/zinc/84/40/80/344844080.db2.gz SBGNWCJYDUUYTN-UHFFFAOYSA-N 0 0 216.580 1.430 10 5 BDBERN O=[N+]([O-])c1cnc(N[C@@H]2CCC[C@H](O)C2)nc1 ZINC000612778947 344924539 /nfs/dbraw/zinc/92/45/39/344924539.db2.gz PNJSZIOPCLVJQF-APPZFPTMSA-N 0 0 238.247 1.100 10 5 BDBERN CC(C)/N=c1\ccccn1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000044408596 345054358 /nfs/dbraw/zinc/05/43/58/345054358.db2.gz CGFCLQNOPOFDPJ-GOKIVBARSA-N 0 0 249.270 1.103 10 5 BDBERN Nc1cc(Sc2nc[nH]n2)ccc1[N+](=O)[O-] ZINC000167193401 187364176 /nfs/dbraw/zinc/36/41/76/187364176.db2.gz DXMPQCNTGMRRFT-UHFFFAOYSA-N 0 0 237.244 1.446 10 5 BDBERN CC(=O)c1c[nH]c2nccc([N+](=O)[O-])c12 ZINC000095919873 346077585 /nfs/dbraw/zinc/07/75/85/346077585.db2.gz GNVIHAFEKBZUAR-UHFFFAOYSA-N 0 0 205.173 1.674 10 5 BDBERN Cc1ccn(-c2ccc(CO)cc2[N+](=O)[O-])n1 ZINC000052884598 179399698 /nfs/dbraw/zinc/39/96/98/179399698.db2.gz XQLBCRNFEOPMIB-UHFFFAOYSA-N 0 0 233.227 1.581 10 5 BDBERN O=C1NCC[C@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC000596310437 348503754 /nfs/dbraw/zinc/50/37/54/348503754.db2.gz DBQUOBORHNJAHV-SECBINFHSA-N 0 0 239.206 1.034 10 5 BDBERN Cc1nc(N[C@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000268468974 180024965 /nfs/dbraw/zinc/02/49/65/180024965.db2.gz IZXGUGQKBFIIQQ-WCBMZHEXSA-N 0 0 237.259 1.624 10 5 BDBERN Cc1nn([C@@H](C)C(C)C)c(N)c1[N+](=O)[O-] ZINC000043670478 180391866 /nfs/dbraw/zinc/39/18/66/180391866.db2.gz KVPBKAGIBYIEIN-ZETCQYMHSA-N 0 0 212.253 1.899 10 5 BDBERN Cc1cc(Cl)c([N+](=O)[O-])cc1C(N)=O ZINC000307019812 351423677 /nfs/dbraw/zinc/42/36/77/351423677.db2.gz YQHQKOSUSSYASM-UHFFFAOYSA-N 0 0 214.608 1.656 10 5 BDBERN Cc1cc(C(N)=O)c(Cl)c([N+](=O)[O-])c1 ZINC000307251161 351770463 /nfs/dbraw/zinc/77/04/63/351770463.db2.gz NICAEAKHGMISHY-UHFFFAOYSA-N 0 0 214.608 1.656 10 5 BDBERN Nc1cc([N+](=O)[O-])ncc1Br ZINC000307470532 352617145 /nfs/dbraw/zinc/61/71/45/352617145.db2.gz VXUPKUZNBAQQHY-UHFFFAOYSA-N 0 0 218.010 1.335 10 5 BDBERN CN1CCO[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000031600305 188010425 /nfs/dbraw/zinc/01/04/25/188010425.db2.gz GCFFSSQJMFZPCE-JTQLQIEISA-N 0 0 208.217 1.555 10 5 BDBERN O=[N+]([O-])c1ccc([C@H]2CO[C@@H](CO)C2)cc1 ZINC000675058682 538481655 /nfs/dbraw/zinc/48/16/55/538481655.db2.gz SECHSLSZMHKGBX-MWLCHTKSSA-N 0 0 223.228 1.460 10 5 BDBERN Cc1ccc(-c2c(N)cnn2C)cc1[N+](=O)[O-] ZINC000675069120 538497768 /nfs/dbraw/zinc/49/77/68/538497768.db2.gz GNXBDRSYKINZMV-UHFFFAOYSA-N 0 0 232.243 1.886 10 5 BDBERN O=[N+]([O-])c1ccc2[nH]c(CCCCO)nc2c1 ZINC000026461989 357136022 /nfs/dbraw/zinc/13/60/22/357136022.db2.gz JZJKDQWHOPGNBZ-UHFFFAOYSA-N 0 0 235.243 1.786 10 5 BDBERN O=[N+]([O-])c1ccc(Cn2ccnn2)cc1[N+](=O)[O-] ZINC000584613537 358278043 /nfs/dbraw/zinc/27/80/43/358278043.db2.gz QFXPWFQXSFCBEK-UHFFFAOYSA-N 0 0 249.186 1.143 10 5 BDBERN COC(=O)CCc1cc(OC)ccc1[N+](=O)[O-] ZINC000584606711 358266389 /nfs/dbraw/zinc/26/63/89/358266389.db2.gz NZTCHAAOMATVSY-UHFFFAOYSA-N 0 0 239.227 1.709 10 5 BDBERN O=[N+]([O-])c1cc(Cl)c2c(c1)NC[C@H](CO)O2 ZINC000584626298 358295783 /nfs/dbraw/zinc/29/57/83/358295783.db2.gz IOHQLKIMGLTXTN-ZCFIWIBFSA-N 0 0 244.634 1.413 10 5 BDBERN CC(C)(O)[C@@H](O)Cc1ccc([N+](=O)[O-])cc1 ZINC000584631994 358314127 /nfs/dbraw/zinc/31/41/27/358314127.db2.gz GYKOUTRKCVBIGC-JTQLQIEISA-N 0 0 225.244 1.269 10 5 BDBERN C[C@@H](O)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000584617583 358282902 /nfs/dbraw/zinc/28/29/02/358282902.db2.gz CIMZQJPUCHOPLY-SSDOTTSWSA-N 0 0 221.216 1.325 10 5 BDBERN Nc1nccc([N+](=O)[O-])c1Br ZINC000306346813 359666233 /nfs/dbraw/zinc/66/62/33/359666233.db2.gz CBWJRZFLRDLHNC-UHFFFAOYSA-N 0 0 218.010 1.335 10 5 BDBERN C=CC(=O)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000036334516 360925712 /nfs/dbraw/zinc/92/57/12/360925712.db2.gz OFCAQJKVOLDNBC-UHFFFAOYSA-N 0 0 210.164 1.858 10 5 BDBERN O=[N+]([O-])C[C@@H](O)c1csc(C(F)(F)F)n1 ZINC000238706526 361364105 /nfs/dbraw/zinc/36/41/05/361364105.db2.gz CZEWCUVNXGJSCD-SCSAIBSYSA-N 0 0 242.178 1.472 10 5 BDBERN O=Cc1cc(N2CCC2)ccc1[N+](=O)[O-] ZINC000307156119 541314862 /nfs/dbraw/zinc/31/48/62/541314862.db2.gz WJYFQWUEWNAZOH-UHFFFAOYSA-N 0 0 206.201 1.617 10 5 BDBERN C[S@](=O)c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000140477387 368347920 /nfs/dbraw/zinc/34/79/20/368347920.db2.gz AEAJFTVRQRHWGF-OAHLLOKOSA-N 0 0 242.281 1.942 10 5 BDBERN Cc1ccnc(NCC2CC(O)C2)c1[N+](=O)[O-] ZINC000091525990 369425404 /nfs/dbraw/zinc/42/54/04/369425404.db2.gz YKHTZAZCZLEOBY-UHFFFAOYSA-N 0 0 237.259 1.481 10 5 BDBERN Cc1ncn(-c2ccc([N+](=O)[O-])cc2O)n1 ZINC000113673697 370452239 /nfs/dbraw/zinc/45/22/39/370452239.db2.gz TXTSYANGGMJBIE-UHFFFAOYSA-N 0 0 220.188 1.190 10 5 BDBERN CC1(C)C[NH2+]Cc2cc([N+](=O)[O-])ccc21 ZINC000113847210 370505580 /nfs/dbraw/zinc/50/55/80/370505580.db2.gz SWMOAMVNXFVLII-UHFFFAOYSA-N 0 0 206.245 1.976 10 5 BDBERN O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@H](O)C2)cn1 ZINC000603865773 371936877 /nfs/dbraw/zinc/93/68/77/371936877.db2.gz QMKSKRXCCJLRIH-SCZZXKLOSA-N 0 0 237.259 1.705 10 5 BDBERN COc1cc(OC)c(C=O)c([N+](=O)[O-])c1 ZINC000140353089 372581581 /nfs/dbraw/zinc/58/15/81/372581581.db2.gz LLEKPOIFAGQDSK-UHFFFAOYSA-N 0 0 211.173 1.425 10 5 BDBERN O=Cc1ccnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000054790991 182873336 /nfs/dbraw/zinc/87/33/36/182873336.db2.gz DJESZVCDQVMELH-UHFFFAOYSA-N 0 0 229.195 1.864 10 5 BDBERN O=[N+]([O-])c1ccc(F)c(-c2ncon2)c1F ZINC000096102568 182932519 /nfs/dbraw/zinc/93/25/19/182932519.db2.gz AGJNVECKTUYDGN-UHFFFAOYSA-N 0 0 227.126 1.923 10 5 BDBERN CCC[C@H]1C[C@@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000230874189 169535141 /nfs/dbraw/zinc/53/51/41/169535141.db2.gz WKOQOQBVCWSGHY-CBAPKCEASA-N 0 0 222.248 1.985 10 5 BDBERN O=[N+]([O-])c1cc(F)c(OC(F)F)cc1CO ZINC000575661649 384417602 /nfs/dbraw/zinc/41/76/02/384417602.db2.gz RDHDGOUVBBOFSO-UHFFFAOYSA-N 0 0 237.133 1.828 10 5 BDBERN O=c1cc(O)c2c(O)c3cccc(O)c3[nH]c-2c1 ZINC000014774907 384473043 /nfs/dbraw/zinc/47/30/43/384473043.db2.gz QCNWCELEAMCXOV-UHFFFAOYSA-N 0 0 243.218 1.798 10 5 BDBERN CC(=O)N1CCc2sc([N+](=O)[O-])cc2C1 ZINC000071973809 384889148 /nfs/dbraw/zinc/88/91/48/384889148.db2.gz JGJFQUHJGOCGDQ-UHFFFAOYSA-N 0 0 226.257 1.561 10 5 BDBERN O=[N+]([O-])c1cc(Br)ccc1CCO ZINC000072266231 385144014 /nfs/dbraw/zinc/14/40/14/385144014.db2.gz IXOSFCCRVSYFCK-UHFFFAOYSA-N 0 0 246.060 1.892 10 5 BDBERN O=[N+]([O-])c1cccc(F)c1SC[C@H](O)CO ZINC000288184310 385279360 /nfs/dbraw/zinc/27/93/60/385279360.db2.gz BSHMTBJEZGDHCT-ZCFIWIBFSA-N 0 0 247.247 1.179 10 5 BDBERN C[C@H]1CC[C@@H](O)CN1c1ccc([N+](=O)[O-])nc1 ZINC000399316170 386710388 /nfs/dbraw/zinc/71/03/88/386710388.db2.gz FZHXEMKZHJDOHG-WCBMZHEXSA-N 0 0 237.259 1.339 10 5 BDBERN Cc1c(OC(F)F)cc([N+](=O)[O-])cc1C(N)=O ZINC000575667381 387317339 /nfs/dbraw/zinc/31/73/39/387317339.db2.gz MRGPWPPEGZTTRL-UHFFFAOYSA-N 0 0 246.169 1.604 10 5 BDBERN COC(=O)c1c([N+](=O)[O-])ccc(OC)c1OC ZINC000575678647 387360965 /nfs/dbraw/zinc/36/09/65/387360965.db2.gz JPPSLDGKNMDURB-UHFFFAOYSA-N 0 0 241.199 1.399 10 5 BDBERN O=Cc1c(C(F)F)cc(CO)cc1[N+](=O)[O-] ZINC000575669374 387329829 /nfs/dbraw/zinc/32/98/29/387329829.db2.gz UGZPQWVPAHXUQD-UHFFFAOYSA-N 0 0 231.154 1.837 10 5 BDBERN COc1cc([N+](=O)[O-])cc(OC)c1C(C)=O ZINC000575672662 387339768 /nfs/dbraw/zinc/33/97/68/387339768.db2.gz FWFUFNUOGSQQTC-UHFFFAOYSA-N 0 0 225.200 1.815 10 5 BDBERN COC(=O)Cc1c([N+](=O)[O-])ccc(F)c1OC ZINC000575715139 387428923 /nfs/dbraw/zinc/42/89/23/387428923.db2.gz SUKIVSDWIQJBRD-UHFFFAOYSA-N 0 0 243.190 1.458 10 5 BDBERN COC(=O)Cc1cc(F)cc([N+](=O)[O-])c1OC ZINC000575714627 387429354 /nfs/dbraw/zinc/42/93/54/387429354.db2.gz LTMJVMIIIJVEMH-UHFFFAOYSA-N 0 0 243.190 1.458 10 5 BDBERN CC(=O)c1c(N)c(OC(F)F)ccc1[N+](=O)[O-] ZINC000575716843 387433322 /nfs/dbraw/zinc/43/33/22/387433322.db2.gz KIMROFFKZADWCO-UHFFFAOYSA-N 0 0 246.169 1.981 10 5 BDBERN COc1c(N)cc([N+](=O)[O-])cc1Cl ZINC000575720268 387441755 /nfs/dbraw/zinc/44/17/55/387441755.db2.gz JZZJEMJMAZOLSA-UHFFFAOYSA-N 0 0 202.597 1.839 10 5 BDBERN CCOC(=O)Cc1cc(F)c([N+](=O)[O-])cc1N ZINC000575725336 387461912 /nfs/dbraw/zinc/46/19/12/387461912.db2.gz XBMLMWHYPSGSQJ-UHFFFAOYSA-N 0 0 242.206 1.422 10 5 BDBERN Nc1ccc(OC(F)F)c([N+](=O)[O-])c1O ZINC000575722427 387444778 /nfs/dbraw/zinc/44/47/78/387444778.db2.gz BWXDLTHJENBTHW-UHFFFAOYSA-N 0 0 220.131 1.484 10 5 BDBERN COc1cc(N)c([N+](=O)[O-])cc1OC(F)F ZINC000575721760 387445149 /nfs/dbraw/zinc/44/51/49/387445149.db2.gz YPZLTQSWBHKZIY-UHFFFAOYSA-N 0 0 234.158 1.787 10 5 BDBERN CCOC(=O)c1cc(N)c(O)cc1[N+](=O)[O-] ZINC000575725574 387458620 /nfs/dbraw/zinc/45/86/20/387458620.db2.gz RXUYYIYQSXFAQO-UHFFFAOYSA-N 0 0 226.188 1.059 10 5 BDBERN CCOc1cc(F)c([N+](=O)[O-])cc1C=O ZINC000575697246 387391479 /nfs/dbraw/zinc/39/14/79/387391479.db2.gz RWFNSRSFAABEBQ-UHFFFAOYSA-N 0 0 213.164 1.945 10 5 BDBERN CCOc1cc(C(N)=O)c(F)c([N+](=O)[O-])c1 ZINC000575697973 387393111 /nfs/dbraw/zinc/39/31/11/387393111.db2.gz VLWPTXDIBCHWQK-UHFFFAOYSA-N 0 0 228.179 1.232 10 5 BDBERN CCOc1cc(C)c(CO)cc1[N+](=O)[O-] ZINC000575699737 387403615 /nfs/dbraw/zinc/40/36/15/387403615.db2.gz WMRVFQLTDJYLQP-UHFFFAOYSA-N 0 0 211.217 1.794 10 5 BDBERN COC(=O)c1ccc([N+](=O)[O-])c(N)c1Cl ZINC000575727312 387461160 /nfs/dbraw/zinc/46/11/60/387461160.db2.gz WZGLQMXWVXLJBM-UHFFFAOYSA-N 0 0 230.607 1.617 10 5 BDBERN COC(=O)c1ccc2[nH]cc([N+](=O)[O-])c2c1 ZINC000204763495 387521748 /nfs/dbraw/zinc/52/17/48/387521748.db2.gz LIZKGMBCDXXKKN-UHFFFAOYSA-N 0 0 220.184 1.863 10 5 BDBERN CCOC(=O)Cc1ccc(N)c([N+](=O)[O-])c1C ZINC000575726108 387464272 /nfs/dbraw/zinc/46/42/72/387464272.db2.gz LOSNGGMCCFXDFU-UHFFFAOYSA-N 0 0 238.243 1.591 10 5 BDBERN CCOC(=O)Cc1c(C)ccc([N+](=O)[O-])c1N ZINC000575727670 387465299 /nfs/dbraw/zinc/46/52/99/387465299.db2.gz YVTUEJVQIXDXBX-UHFFFAOYSA-N 0 0 238.243 1.591 10 5 BDBERN COC(=O)Cc1cnc(Cl)c([N+](=O)[O-])c1 ZINC000238397817 388020314 /nfs/dbraw/zinc/02/03/14/388020314.db2.gz ZQYPQXIDGUBKAK-UHFFFAOYSA-N 0 0 230.607 1.359 10 5 BDBERN CC(=O)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000299890207 388344668 /nfs/dbraw/zinc/34/46/68/388344668.db2.gz VUJTUYSRRBBORP-UHFFFAOYSA-N 0 0 200.581 1.846 10 5 BDBERN CC[C@](C)(CCO)Nc1c([N+](=O)[O-])ncn1C ZINC000230216593 388363691 /nfs/dbraw/zinc/36/36/91/388363691.db2.gz SDGRBJWIEUIOIX-SNVBAGLBSA-N 0 0 242.279 1.291 10 5 BDBERN O=C1NCC[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000095221121 388762356 /nfs/dbraw/zinc/76/23/56/388762356.db2.gz XLERBMMVUHGRIU-SECBINFHSA-N 0 0 206.201 1.198 10 5 BDBERN COC(=O)c1nc2[nH]cccc-2c1[N+](=O)[O-] ZINC000095937148 388791389 /nfs/dbraw/zinc/79/13/89/388791389.db2.gz FDLIVGZFEUHSQD-UHFFFAOYSA-N 0 0 221.172 1.258 10 5 BDBERN O=Cc1ccc(-n2ccnc2)cc1[N+](=O)[O-] ZINC000095938050 388791655 /nfs/dbraw/zinc/79/16/55/388791655.db2.gz WCYRXVMGXNYTNF-UHFFFAOYSA-N 0 0 217.184 1.593 10 5 BDBERN O=[N+]([O-])c1ccccc1N1CCCC[C@H]1CO ZINC000042256062 132350888 /nfs/dbraw/zinc/35/08/88/132350888.db2.gz CIAYTEKEUOVKBV-JTQLQIEISA-N 0 0 236.271 1.946 10 5 BDBERN O=[N+]([O-])c1ccccc1N1CCCC[C@@H]1CO ZINC000042256058 132350963 /nfs/dbraw/zinc/35/09/63/132350963.db2.gz CIAYTEKEUOVKBV-SNVBAGLBSA-N 0 0 236.271 1.946 10 5 BDBERN Cc1cnc([C@H](C)Nc2ncc([N+](=O)[O-])cn2)o1 ZINC000230876453 134534237 /nfs/dbraw/zinc/53/42/37/134534237.db2.gz HKYZEBKYPSQGEJ-ZETCQYMHSA-N 0 0 249.230 1.854 10 5 BDBERN O=C/C=C/[C@@]1([N+](=O)[O-])CCCCCCC1=O ZINC000207085663 397801780 /nfs/dbraw/zinc/80/17/80/397801780.db2.gz PXGBGKXNPALLCS-BWNDKRECSA-N 0 0 225.244 1.680 10 5 BDBERN CC(C)NC(=O)/C=C/c1ccc([N+](=O)[O-])o1 ZINC000002039074 167036861 /nfs/dbraw/zinc/03/68/61/167036861.db2.gz APOAEUBPCAZTDV-HWKANZROSA-N 0 0 224.216 1.726 10 5 BDBERN CC1=CN(Br)[C@H]([N+](=O)[O-])C=C1 ZINC000100288761 168122313 /nfs/dbraw/zinc/12/23/13/168122313.db2.gz WXAVQMOABLEHGK-ZCFIWIBFSA-N 0 0 219.038 1.675 10 5 BDBERN CCNn1nc([N+](=O)[O-])c2ccccc21 ZINC000090460271 170179419 /nfs/dbraw/zinc/17/94/19/170179419.db2.gz VUFXMMKXGNQPLC-UHFFFAOYSA-N 0 0 206.205 1.508 10 5 BDBERN CCOC(=O)[C@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000034611206 170269236 /nfs/dbraw/zinc/26/92/36/170269236.db2.gz XABYMWPTKQMLQF-ZETCQYMHSA-N 0 0 239.231 1.353 10 5 BDBERN CC[C@H](C)Cn1nc(C)c([N+](=O)[O-])c1N ZINC000049853236 171301311 /nfs/dbraw/zinc/30/13/11/171301311.db2.gz LXHYCBKCXMWZQA-LURJTMIESA-N 0 0 212.253 1.728 10 5 BDBERN CCc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000034414248 172014412 /nfs/dbraw/zinc/01/44/12/172014412.db2.gz VIVANYUABSWCDK-UHFFFAOYSA-N 0 0 219.200 1.394 10 5 BDBERN CO[C@H]1CCC[C@@H]1Nc1ccncc1[N+](=O)[O-] ZINC000050374865 174882262 /nfs/dbraw/zinc/88/22/62/174882262.db2.gz AYUSFJGXWYAYKW-ONGXEEELSA-N 0 0 237.259 1.969 10 5 BDBERN COc1cc(OC2CC2)cnc1[N+](=O)[O-] ZINC000095728157 175011838 /nfs/dbraw/zinc/01/18/38/175011838.db2.gz KBGYVWFXRXAYBT-UHFFFAOYSA-N 0 0 210.189 1.540 10 5 BDBERN COc1ncc(-c2ccnc(C)n2)cc1[N+](=O)[O-] ZINC000091365896 175397442 /nfs/dbraw/zinc/39/74/42/175397442.db2.gz LRJZICURDSHJLH-UHFFFAOYSA-N 0 0 246.226 1.764 10 5 BDBERN C[C@H]1CC[C@@H](O)CN1c1ncccc1[N+](=O)[O-] ZINC000399320055 262781898 /nfs/dbraw/zinc/78/18/98/262781898.db2.gz HZWPYPBXIBVJIN-DTWKUNHWSA-N 0 0 237.259 1.339 10 5 BDBERN O=[N+]([O-])c1cnc(N2CC[C@H]3CCC[C@H]32)nc1 ZINC000408362728 518203125 /nfs/dbraw/zinc/20/31/25/518203125.db2.gz QSPQAXPHKNUPCD-PSASIEDQSA-N 0 0 234.259 1.764 10 5 BDBERN O=c1cc2oc3ccccc3oc-2cc1=O ZINC000000901856 560179871 /nfs/dbraw/zinc/17/98/71/560179871.db2.gz OEZWQQMRIGCJRU-UHFFFAOYSA-N 0 0 214.176 1.851 10 5 in-vitro BDBERN CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000122535477 589600008 /nfs/dbraw/zinc/60/00/08/589600008.db2.gz PHVXMELNIZCQOP-UHFFFAOYSA-N 0 0 248.235 1.032 10 5 BDBERN COC1CC(Nc2ccncc2[N+](=O)[O-])C1 ZINC000230597828 632818496 /nfs/dbraw/zinc/81/84/96/632818496.db2.gz JJOYMUCJKKZWEC-UHFFFAOYSA-N 0 0 223.232 1.579 10 5 BDBERN C[C@H](O)[C@H](C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000346395935 637105520 /nfs/dbraw/zinc/10/55/20/637105520.db2.gz WXQWQSDPDLGKNR-YUMQZZPRSA-N 0 0 238.243 1.094 10 5 BDBERN COCC1CC(Nc2c([N+](=O)[O-])ncn2C)C1 ZINC000713936532 712474130 /nfs/dbraw/zinc/47/41/30/712474130.db2.gz YNEQWKRZBIYBAV-UHFFFAOYSA-N 0 0 240.263 1.165 10 5 BDBERN C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1cn(C)nn1 ZINC000720526332 712849178 /nfs/dbraw/zinc/84/91/78/712849178.db2.gz ZAUAMJOCPVHXNR-SSDOTTSWSA-N 0 0 248.246 1.291 10 5 BDBERN Cc1cc([N+](=O)[O-])cc2[nH]c(=O)sc21 ZINC000034356257 178271560 /nfs/dbraw/zinc/27/15/60/178271560.db2.gz YOKAMKNZXTUJFI-UHFFFAOYSA-N 0 0 210.214 1.806 10 5 BDBERN Cc1ccc(-c2nc(N)n[nH]2)cc1[N+](=O)[O-] ZINC000019263462 178331991 /nfs/dbraw/zinc/33/19/91/178331991.db2.gz RCFLOQZBKIQRMP-UHFFFAOYSA-N 0 0 219.204 1.271 10 5 BDBERN CCOC(=O)COc1ccc(N)c([N+](=O)[O-])c1 ZINC000145064170 342757034 /nfs/dbraw/zinc/75/70/34/342757034.db2.gz FWCPUNXESYWUEA-UHFFFAOYSA-N 0 0 240.215 1.119 10 5 BDBERN COc1cc(CCCO)c([N+](=O)[O-])cc1OC ZINC000145734042 342761928 /nfs/dbraw/zinc/76/19/28/342761928.db2.gz QVRFLLWWWQXYGH-UHFFFAOYSA-N 0 0 241.243 1.537 10 5 BDBERN COC[C@@H](C)Nc1ncnc(Cl)c1[N+](=O)[O-] ZINC000004243339 398282204 /nfs/dbraw/zinc/28/22/04/398282204.db2.gz YXSXVVAYRSPADR-RXMQYKEDSA-N 0 0 246.654 1.485 10 5 BDBERN C[S@](=N)(=O)Cc1cc(F)cc([N+](=O)[O-])c1 ZINC000150277275 342799244 /nfs/dbraw/zinc/79/92/44/342799244.db2.gz WIWBHVOLNWSPJT-HNNXBMFYSA-N 0 0 232.236 1.910 10 5 BDBERN Cc1ccc([C@@H](C)S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000050350602 539010964 /nfs/dbraw/zinc/01/09/64/539010964.db2.gz UVZSHCLHYGXXJQ-SSDOTTSWSA-N 0 0 244.272 1.253 10 5 BDBERN C[C@H]1OCC[C@@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000134575076 342869112 /nfs/dbraw/zinc/86/91/12/342869112.db2.gz UEDDZKJFNNJEFN-APPZFPTMSA-N 0 0 223.232 1.579 10 5 BDBERN O=[N+]([O-])c1ncccc1NC[C@H]1CCC[C@H]1O ZINC000134783432 342885823 /nfs/dbraw/zinc/88/58/23/342885823.db2.gz MTPCIQUETDKMAH-PSASIEDQSA-N 0 0 237.259 1.563 10 5 BDBERN COc1ccc([C@@H](C[N+](=O)[O-])C(C)=O)cc1 ZINC000143528715 343125280 /nfs/dbraw/zinc/12/52/80/343125280.db2.gz NZRBYUBAXFMMQR-NSHDSACASA-N 0 0 223.228 1.645 10 5 BDBERN C=CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000036334718 187259084 /nfs/dbraw/zinc/25/90/84/187259084.db2.gz AJVUTSFFBDUAPK-UHFFFAOYSA-N 0 0 222.200 1.728 10 5 BDBERN CC[C@@H](O)Cc1onc(C)c1[N+](=O)[O-] ZINC000149284440 343424866 /nfs/dbraw/zinc/42/48/66/343424866.db2.gz XWAORUVEECJPKC-ZCFIWIBFSA-N 0 0 200.194 1.205 10 5 BDBERN Nc1cccn2c1nc1ccccc1c2=O ZINC000039407276 187263122 /nfs/dbraw/zinc/26/31/22/187263122.db2.gz VNAJGZGVBIPMPR-UHFFFAOYSA-N 0 0 211.224 1.430 10 5 BDBERN O=Cc1cnc(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC000309186514 344231279 /nfs/dbraw/zinc/23/12/79/344231279.db2.gz JQGZFHIUFPKLDW-UHFFFAOYSA-N 0 0 236.105 1.701 10 5 BDBERN O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]2CO)s1 ZINC000306438757 344185173 /nfs/dbraw/zinc/18/51/73/344185173.db2.gz IPGUPLCICUWHIV-NTSWFWBYSA-N 0 0 214.246 1.449 10 5 BDBERN O=c1cc(O)c2c(O)c3cc(O)ccc3[nH]c-2c1 ZINC000027558008 344273094 /nfs/dbraw/zinc/27/30/94/344273094.db2.gz ZNICVLQYUJJRMP-UHFFFAOYSA-N 0 0 243.218 1.798 10 5 BDBERN COc1ccc2cc[nH]c(=O)c2c1[N+](=O)[O-] ZINC000217955117 344424507 /nfs/dbraw/zinc/42/45/07/344424507.db2.gz LMAVASGUWAPIST-UHFFFAOYSA-N 0 0 220.184 1.445 10 5 BDBERN O=[N+]([O-])c1cnc(N[C@H]2CCC[C@H](O)C2)nc1 ZINC000612778952 344924846 /nfs/dbraw/zinc/92/48/46/344924846.db2.gz PNJSZIOPCLVJQF-CBAPKCEASA-N 0 0 238.247 1.100 10 5 BDBERN Cn1cnc([N+](=O)[O-])c1-c1ccccc1 ZINC000005116749 344949643 /nfs/dbraw/zinc/94/96/43/344949643.db2.gz OIAINWSBWXEQAN-UHFFFAOYSA-N 0 0 203.201 1.995 10 5 BDBERN O=C1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000238596572 345086596 /nfs/dbraw/zinc/08/65/96/345086596.db2.gz FWFZVFIZKDJCTH-UHFFFAOYSA-N 0 0 206.201 1.374 10 5 BDBERN C[C@@H]1CCCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000408310778 345112002 /nfs/dbraw/zinc/11/20/02/345112002.db2.gz UKUAHCSQMARNBR-SECBINFHSA-N 0 0 238.291 1.560 10 5 BDBERN C[C@H](CNc1ccc([N+](=O)[O-])cc1)[S@@](C)=O ZINC000159726293 345501755 /nfs/dbraw/zinc/50/17/55/345501755.db2.gz ISPVTFGUJYKCEG-BCTVWOGZSA-N 0 0 242.300 1.774 10 5 BDBERN Cc1[nH]c(-c2cccc([N+](=O)[O-])c2)cc1C(N)=O ZINC000220855406 345862439 /nfs/dbraw/zinc/86/24/39/345862439.db2.gz AZVQMEKQMQCVAC-UHFFFAOYSA-N 0 0 245.238 1.997 10 5 BDBERN CCOc1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000034050090 346185725 /nfs/dbraw/zinc/18/57/25/346185725.db2.gz DIYPZSWABIAOFT-UHFFFAOYSA-N 0 0 225.200 1.780 10 5 BDBERN CNS(=O)(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000669375881 537957660 /nfs/dbraw/zinc/95/76/60/537957660.db2.gz XQBLWWIVZRGEHD-ZETCQYMHSA-N 0 0 244.272 1.205 10 5 BDBERN NC(=S)c1cccc([N+](=O)[O-])c1Cl ZINC000083348780 187319066 /nfs/dbraw/zinc/31/90/66/187319066.db2.gz NBSYHPJUFBHLGZ-UHFFFAOYSA-N 0 0 216.649 1.882 10 5 BDBERN O=Cc1c(OC(F)(F)F)ccnc1[N+](=O)[O-] ZINC000309546547 347097969 /nfs/dbraw/zinc/09/79/69/347097969.db2.gz IJVYNYBAZAOMJF-UHFFFAOYSA-N 0 0 236.105 1.701 10 5 BDBERN O=C1COCCN1c1ccc([N+](=O)[O-])cc1F ZINC000059550003 347229746 /nfs/dbraw/zinc/22/97/46/347229746.db2.gz IFZPXYKJYRUOFL-UHFFFAOYSA-N 0 0 240.190 1.097 10 5 BDBERN CC(=O)N[C@@H](C[N+](=O)[O-])c1ccccc1 ZINC000196254607 347851314 /nfs/dbraw/zinc/85/13/14/347851314.db2.gz ITNVMSRTGKXWJM-JTQLQIEISA-N 0 0 208.217 1.141 10 5 BDBERN CCOc1cc(-c2nncn2C)ccc1[N+](=O)[O-] ZINC000223654505 348238983 /nfs/dbraw/zinc/23/89/83/348238983.db2.gz RTPXMKRLZDJRPR-UHFFFAOYSA-N 0 0 248.242 1.789 10 5 BDBERN Cc1cc([N+](=O)[O-])cnc1NC1CC(CO)C1 ZINC000596569311 348581557 /nfs/dbraw/zinc/58/15/57/348581557.db2.gz UFRRODKIQRMXFN-UHFFFAOYSA-N 0 0 237.259 1.481 10 5 BDBERN Cc1cn(C[C@H](O)C(C)(C)C)nc1[N+](=O)[O-] ZINC000290081316 179558691 /nfs/dbraw/zinc/55/86/91/179558691.db2.gz JUZIUBGIGKHZIL-QMMMGPOBSA-N 0 0 227.264 1.507 10 5 BDBERN CN1C[C@@H](CNc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000596493003 348561138 /nfs/dbraw/zinc/56/11/38/348561138.db2.gz YBDJBYCOULNNSK-SECBINFHSA-N 0 0 249.270 1.485 10 5 BDBERN C[C@H]1CC[C@@H](O)CN1c1ncc([N+](=O)[O-])s1 ZINC000399256998 323202272 /nfs/dbraw/zinc/20/22/72/323202272.db2.gz MNDAIHSPMLUJDX-NKWVEPMBSA-N 0 0 243.288 1.401 10 5 BDBERN O=[N+]([O-])c1ccc(N[C@@H]2CCOC[C@@H]2O)cc1 ZINC000599178738 349121645 /nfs/dbraw/zinc/12/16/45/349121645.db2.gz ODBXRTQVGAHUOL-MNOVXSKESA-N 0 0 238.243 1.157 10 5 BDBERN O=Cc1scnc1-n1cc([N+](=O)[O-])cn1 ZINC000725253409 538037448 /nfs/dbraw/zinc/03/74/48/538037448.db2.gz KAWBITOKNPJMPI-UHFFFAOYSA-N 0 0 224.201 1.050 10 5 BDBERN O=CC[C@@H](C[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000217545240 350060932 /nfs/dbraw/zinc/06/09/32/350060932.db2.gz ICYVGMAXFDUQJJ-VIFPVBQESA-N 0 0 238.199 1.544 10 5 BDBERN COC(=O)c1cnc2[nH]cc([N+](=O)[O-])c2c1C ZINC000044712631 350185708 /nfs/dbraw/zinc/18/57/08/350185708.db2.gz KYVYJGJWOZKAQP-UHFFFAOYSA-N 0 0 235.199 1.566 10 5 BDBERN O=[N+]([O-])c1cc[n+]([O-])c(C(F)(F)F)c1 ZINC000038585918 350316887 /nfs/dbraw/zinc/31/68/87/350316887.db2.gz YAHZSCAQQRNLTM-UHFFFAOYSA-N 0 0 208.095 1.247 10 5 BDBERN Cc1nn(C)c(Nc2cccc(N)c2)c1[N+](=O)[O-] ZINC000036749136 180360073 /nfs/dbraw/zinc/36/00/73/180360073.db2.gz AQJRWKQZGUSUCL-UHFFFAOYSA-N 0 0 247.258 1.963 10 5 BDBERN CC(C)N(C)c1ccc([N+](=O)[O-])c2nonc21 ZINC000725264862 538092130 /nfs/dbraw/zinc/09/21/30/538092130.db2.gz MXXATYCCBWGSMX-UHFFFAOYSA-N 0 0 236.231 1.976 10 5 BDBERN Cc1nn(CCC(C)C)c(N)c1[N+](=O)[O-] ZINC000043670363 180387251 /nfs/dbraw/zinc/38/72/51/180387251.db2.gz CKIBHOKSSIFVHF-UHFFFAOYSA-N 0 0 212.253 1.728 10 5 BDBERN O=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl ZINC000222373762 350913789 /nfs/dbraw/zinc/91/37/89/350913789.db2.gz JQZGBYRJYHYFSG-UHFFFAOYSA-N 0 0 230.563 1.969 10 5 BDBERN [NH3+]Cc1cc(F)cc(Br)c1[N+](=O)[O-] ZINC000306953052 351377968 /nfs/dbraw/zinc/37/79/68/351377968.db2.gz FKDVSLAFHPHPCU-UHFFFAOYSA-N 0 0 249.039 1.955 10 5 BDBERN Cn1cnnc1-c1cc([N+](=O)[O-])cs1 ZINC000307233662 351702313 /nfs/dbraw/zinc/70/23/13/351702313.db2.gz FCXHLSHVDHURCJ-UHFFFAOYSA-N 0 0 210.218 1.452 10 5 BDBERN Cn1cc(NCc2ccc([N+](=O)[O-])o2)cn1 ZINC000037259803 180660679 /nfs/dbraw/zinc/66/06/79/180660679.db2.gz SOSWISAEQKQLHO-UHFFFAOYSA-N 0 0 222.204 1.533 10 5 BDBERN CC(=O)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC000095762443 187975616 /nfs/dbraw/zinc/97/56/16/187975616.db2.gz MBQOFWJQFHDDRK-UHFFFAOYSA-N 0 0 200.581 1.846 10 5 BDBERN COCC(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000051695044 187985900 /nfs/dbraw/zinc/98/59/00/187985900.db2.gz AYMPULFVMIHVCH-UHFFFAOYSA-N 0 0 223.228 1.743 10 5 BDBERN O=C1C[C@H](c2cccc([N+](=O)[O-])c2)C(=O)N1 ZINC000033854585 188013039 /nfs/dbraw/zinc/01/30/39/188013039.db2.gz BWMWRGLTQLLNSF-MRVPVSSYSA-N 0 0 220.184 1.565 10 5 BDBERN CCCCCC[C@@](O)(C[N+](=O)[O-])C(=O)OCC ZINC000137393969 355851061 /nfs/dbraw/zinc/85/10/61/355851061.db2.gz RSERFLGGPNUZJE-LLVKDONJSA-N 0 0 247.291 1.528 10 5 BDBERN CCC(O)(CC)Cn1cc([N+](=O)[O-])cn1 ZINC000162900417 202093499 /nfs/dbraw/zinc/09/34/99/202093499.db2.gz AZDKQHCTSSVMBS-UHFFFAOYSA-N 0 0 213.237 1.342 10 5 BDBERN C[C@@H](O)c1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC000035631457 358009021 /nfs/dbraw/zinc/00/90/21/358009021.db2.gz VGCPXPSPOBLSSU-SSDOTTSWSA-N 0 0 210.233 1.714 10 5 BDBERN COC(=O)CCCCCC[C@@H](O)C[N+](=O)[O-] ZINC000584607029 358267313 /nfs/dbraw/zinc/26/73/13/358267313.db2.gz RQMDPUHEDIYDIQ-SECBINFHSA-N 0 0 233.264 1.138 10 5 BDBERN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)C(=O)N1 ZINC000584625557 358294397 /nfs/dbraw/zinc/29/43/97/358294397.db2.gz SUCJSRHSUSWCMG-ZETCQYMHSA-N 0 0 221.216 1.513 10 5 BDBERN CC[C@H]([C@H](C)C[C@@H](O)[C@H](CC)[N+](=O)[O-])[N+](=O)[O-] ZINC000584639869 358325380 /nfs/dbraw/zinc/32/53/80/358325380.db2.gz XQRYHVHWSUEGDW-DOLQZWNJSA-N 0 0 248.279 1.484 10 5 BDBERN O=C1CSc2ccc([N+](=O)[O-])cc2CN1 ZINC000584640453 358326674 /nfs/dbraw/zinc/32/66/74/358326674.db2.gz KHFBZHQXCWIUMR-UHFFFAOYSA-N 0 0 224.241 1.317 10 5 BDBERN COC(OC)(OC)c1ccc([N+](=O)[O-])cc1 ZINC000044589364 358391673 /nfs/dbraw/zinc/39/16/73/358391673.db2.gz KADBXAPOXHFNOP-UHFFFAOYSA-N 0 0 227.216 1.644 10 5 BDBERN Nc1cc([N+](=O)[O-])c(C(F)(F)F)cn1 ZINC000306487428 360160842 /nfs/dbraw/zinc/16/08/42/360160842.db2.gz PNRHEWSGNIGQOU-UHFFFAOYSA-N 0 0 207.111 1.591 10 5 BDBERN O=[N+]([O-])c1nn(Cc2ccno2)cc1Cl ZINC000069760069 360406811 /nfs/dbraw/zinc/40/68/11/360406811.db2.gz AIUINJSGQHIIPA-UHFFFAOYSA-N 0 0 228.595 1.481 10 5 BDBERN O=[N+]([O-])c1n[nH]cc1N[C@H]1CCSC1 ZINC000306584028 360483852 /nfs/dbraw/zinc/48/38/52/360483852.db2.gz FXHYADQBMNUISL-YFKPBYRVSA-N 0 0 214.250 1.235 10 5 BDBERN Nc1c(OC(F)(F)F)cncc1[N+](=O)[O-] ZINC000238592046 361161016 /nfs/dbraw/zinc/16/10/16/361161016.db2.gz PPQSJBWQERMCNR-UHFFFAOYSA-N 0 0 223.110 1.471 10 5 BDBERN O=[N+]([O-])c1ccc(Cl)nc1-n1cncn1 ZINC000037066134 361623296 /nfs/dbraw/zinc/62/32/96/361623296.db2.gz DLYMFFLNYPSZPD-UHFFFAOYSA-N 0 0 225.595 1.224 10 5 BDBERN Cc1c(N)c(F)c(F)c([N+](=O)[O-])c1F ZINC000199741701 368354039 /nfs/dbraw/zinc/35/40/39/368354039.db2.gz SOFBMNJFUMZIIY-UHFFFAOYSA-N 0 0 206.123 1.903 10 5 BDBERN CCC[C@@H](O)Cc1onc(C)c1[N+](=O)[O-] ZINC000223636597 368364092 /nfs/dbraw/zinc/36/40/92/368364092.db2.gz KFTGSVZVSMQUNM-SSDOTTSWSA-N 0 0 214.221 1.595 10 5 BDBERN CCCC[C@H](O)Cc1onc(C)c1[N+](=O)[O-] ZINC000223628807 368364700 /nfs/dbraw/zinc/36/47/00/368364700.db2.gz BGXPXIJBUWLEOH-QMMMGPOBSA-N 0 0 228.248 1.985 10 5 BDBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC=CCN1 ZINC000600137078 371645288 /nfs/dbraw/zinc/64/52/88/371645288.db2.gz HLJMVLICTYERBN-UHFFFAOYSA-N 0 0 247.254 1.420 10 5 BDBERN Nc1nc(Cl)c(Cl)nc1[N+](=O)[O-] ZINC000039384811 372958648 /nfs/dbraw/zinc/95/86/48/372958648.db2.gz YPKQEGJKVUTYPH-UHFFFAOYSA-N 0 0 208.992 1.274 10 5 BDBERN O=C(Cn1ccnc1[N+](=O)[O-])c1ccccc1 ZINC000013207478 182071805 /nfs/dbraw/zinc/07/18/05/182071805.db2.gz VPNVYDWYNWDEMU-UHFFFAOYSA-N 0 0 231.211 1.674 10 5 BDBERN O=[N+]([O-])c1ccc(CNc2cncnc2)o1 ZINC000083350251 182930630 /nfs/dbraw/zinc/93/06/30/182930630.db2.gz CRIGWAFZGRKDPZ-UHFFFAOYSA-N 0 0 220.188 1.590 10 5 BDBERN O=[N+]([O-])c1ccc(F)cc1NCCCO ZINC000052119374 182933974 /nfs/dbraw/zinc/93/39/74/182933974.db2.gz KBHQHOUMMWNEEP-UHFFFAOYSA-N 0 0 214.196 1.528 10 5 BDBERN CC(C)(C)OC(=O)NCCC[N+](=O)[O-] ZINC000039093255 166661702 /nfs/dbraw/zinc/66/17/02/166661702.db2.gz AWMPLPNIAJLJME-UHFFFAOYSA-N 0 0 204.226 1.178 10 5 BDBERN C[C@@H](Cc1cnc2ccccn12)[N+](=O)[O-] ZINC000089201057 383942975 /nfs/dbraw/zinc/94/29/75/383942975.db2.gz XIAMDGIMCWJEPP-QMMMGPOBSA-N 0 0 205.217 1.542 10 5 BDBERN c1nc2cc3ncnc4ccn5c(c2c1=CC5)c43 ZINC000039124230 384105454 /nfs/dbraw/zinc/10/54/54/384105454.db2.gz AYGHLMBMUAIKNS-UHFFFAOYSA-N 0 0 232.246 1.646 10 5 BDBERN O=Cc1c(CO)cc(C(F)F)cc1[N+](=O)[O-] ZINC000575669513 384453468 /nfs/dbraw/zinc/45/34/68/384453468.db2.gz YZRFPUJKGQEFJT-UHFFFAOYSA-N 0 0 231.154 1.837 10 5 BDBERN COC(=O)c1sc([N+](=O)[O-])cc1C ZINC000098178997 384498578 /nfs/dbraw/zinc/49/85/78/384498578.db2.gz PIDXYSDTCFNLNG-UHFFFAOYSA-N 0 0 201.203 1.751 10 5 BDBERN CNc1cc(OCCO)ccc1[N+](=O)[O-] ZINC000005140967 384499685 /nfs/dbraw/zinc/49/96/85/384499685.db2.gz IUTYXFLUCZMDMM-UHFFFAOYSA-N 0 0 212.205 1.008 10 5 BDBERN CCOC(=O)c1c(N)cc(CC)cc1[N+](=O)[O-] ZINC000575725525 384912176 /nfs/dbraw/zinc/91/21/76/384912176.db2.gz ZYEMOTLJWYJEPG-UHFFFAOYSA-N 0 0 238.243 1.916 10 5 BDBERN CCOC(=O)c1cc(N)cc(C)c1[N+](=O)[O-] ZINC000575726314 384913806 /nfs/dbraw/zinc/91/38/06/384913806.db2.gz NWRCNOZJKODREF-UHFFFAOYSA-N 0 0 224.216 1.662 10 5 BDBERN O=[N+]([O-])c1cccc(CSC[C@@H](O)CO)c1 ZINC000086660247 385037868 /nfs/dbraw/zinc/03/78/68/385037868.db2.gz VCDDNNIMHGYMBU-JTQLQIEISA-N 0 0 243.284 1.181 10 5 BDBERN O=[N+]([O-])c1cccc(F)c1SC[C@@H](O)CO ZINC000288184306 385279062 /nfs/dbraw/zinc/27/90/62/385279062.db2.gz BSHMTBJEZGDHCT-LURJTMIESA-N 0 0 247.247 1.179 10 5 BDBERN Cc1cnc(N[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000266224460 386049946 /nfs/dbraw/zinc/04/99/46/386049946.db2.gz RMUIMHJAASTUFB-SCZZXKLOSA-N 0 0 237.259 1.624 10 5 BDBERN Nc1nc(N2CC[C@@H]3CCC[C@H]32)ncc1[N+](=O)[O-] ZINC000408361618 386240023 /nfs/dbraw/zinc/24/00/23/386240023.db2.gz HYOCPTFUSKRQNQ-JGVFFNPUSA-N 0 0 249.274 1.176 10 5 BDBERN Cn1cnc([N+](=O)[O-])c1N1CC[C@H]2CCC[C@H]21 ZINC000408362519 386293591 /nfs/dbraw/zinc/29/35/91/386293591.db2.gz OYHWOUKZDUXIKL-RKDXNWHRSA-N 0 0 236.275 1.707 10 5 BDBERN CCOC(=O)Cc1c(F)ccc(F)c1[N+](=O)[O-] ZINC000575396914 387003173 /nfs/dbraw/zinc/00/31/73/387003173.db2.gz JTFNAJLBOQJCIH-UHFFFAOYSA-N 0 0 245.181 1.979 10 5 BDBERN O=[N+]([O-])c1cc(CO)c(F)c(OC(F)F)c1 ZINC000575660907 387054359 /nfs/dbraw/zinc/05/43/59/387054359.db2.gz CTTHPTGFPBJEHM-UHFFFAOYSA-N 0 0 237.133 1.828 10 5 BDBERN COCOc1ccc(F)cc1[N+](=O)[O-] ZINC000575436472 387117874 /nfs/dbraw/zinc/11/78/74/387117874.db2.gz XOMRSRHTGUMSDX-UHFFFAOYSA-N 0 0 201.153 1.717 10 5 BDBERN Cc1cc(OC(F)F)cc(C(N)=O)c1[N+](=O)[O-] ZINC000575666265 387317533 /nfs/dbraw/zinc/31/75/33/387317533.db2.gz HQPHWRSQFVQKSB-UHFFFAOYSA-N 0 0 246.169 1.604 10 5 BDBERN COC(=O)Cc1cc([N+](=O)[O-])cc(OC)c1C ZINC000575677631 387359574 /nfs/dbraw/zinc/35/95/74/387359574.db2.gz BCBUECZDAVFMKS-UHFFFAOYSA-N 0 0 239.227 1.627 10 5 BDBERN O=[N+]([O-])c1cc(O)c(CO)cc1Br ZINC000575691470 387378765 /nfs/dbraw/zinc/37/87/65/387378765.db2.gz MJQLKSPUOXWVJW-UHFFFAOYSA-N 0 0 248.032 1.555 10 5 BDBERN CCc1nc(Cl)nc(C)c1[N+](=O)[O-] ZINC000575600503 387320608 /nfs/dbraw/zinc/32/06/08/387320608.db2.gz ZIMSLVDTXKFRIZ-UHFFFAOYSA-N 0 0 201.613 1.909 10 5 BDBERN Cc1c(CO)cc(OC(F)F)cc1[N+](=O)[O-] ZINC000575668379 387327022 /nfs/dbraw/zinc/32/70/22/387327022.db2.gz VQCQSUJESQYXFY-UHFFFAOYSA-N 0 0 233.170 1.997 10 5 BDBERN COC(=O)c1cc(F)cc(OC)c1[N+](=O)[O-] ZINC000575714596 387429054 /nfs/dbraw/zinc/42/90/54/387429054.db2.gz JVBKCTIDPZKADF-UHFFFAOYSA-N 0 0 229.163 1.529 10 5 BDBERN COc1ccc([N+](=O)[O-])c(Cl)c1N ZINC000575720290 387441205 /nfs/dbraw/zinc/44/12/05/387441205.db2.gz KEKCRWRSWBSNGA-UHFFFAOYSA-N 0 0 202.597 1.839 10 5 BDBERN Nc1c(O)ccc(Br)c1[N+](=O)[O-] ZINC000575720198 387441779 /nfs/dbraw/zinc/44/17/79/387441779.db2.gz HYOYVINKXLRBLX-UHFFFAOYSA-N 0 0 233.021 1.645 10 5 BDBERN COc1cc([N+](=O)[O-])cc(OC(F)F)c1N ZINC000575721131 387443284 /nfs/dbraw/zinc/44/32/84/387443284.db2.gz INYSGJMRVFJBNN-UHFFFAOYSA-N 0 0 234.158 1.787 10 5 BDBERN Nc1c(O)c(Br)ccc1[N+](=O)[O-] ZINC000575720694 387443336 /nfs/dbraw/zinc/44/33/36/387443336.db2.gz PTTAMLLNFNGSJV-UHFFFAOYSA-N 0 0 233.021 1.645 10 5 BDBERN Nc1c(OC(F)F)c(O)ccc1[N+](=O)[O-] ZINC000575723252 387446192 /nfs/dbraw/zinc/44/61/92/387446192.db2.gz NXKQAOKYTQBNJU-UHFFFAOYSA-N 0 0 220.131 1.484 10 5 BDBERN CCOc1cc(C(N)=O)cc(OC)c1[N+](=O)[O-] ZINC000575698130 387392629 /nfs/dbraw/zinc/39/26/29/387392629.db2.gz CWPHNWRFCPTDPG-UHFFFAOYSA-N 0 0 240.215 1.101 10 5 BDBERN CCOc1cc([N+](=O)[O-])c(OC)cc1C=O ZINC000575698295 387392941 /nfs/dbraw/zinc/39/29/41/387392941.db2.gz JQYVGKJSCDKJHM-UHFFFAOYSA-N 0 0 225.200 1.815 10 5 BDBERN CCOc1cc(C=O)c([N+](=O)[O-])cc1F ZINC000575694855 387394294 /nfs/dbraw/zinc/39/42/94/387394294.db2.gz BNBHVMOOFRDLFZ-UHFFFAOYSA-N 0 0 213.164 1.945 10 5 BDBERN CCOc1c(CO)cc(OC)cc1[N+](=O)[O-] ZINC000575698437 387394701 /nfs/dbraw/zinc/39/47/01/387394701.db2.gz PUQILTFBXNGMSK-UHFFFAOYSA-N 0 0 227.216 1.494 10 5 BDBERN CCOC(=O)c1c(OC)ccc(N)c1[N+](=O)[O-] ZINC000575725040 387460422 /nfs/dbraw/zinc/46/04/22/387460422.db2.gz QEWMUAKQAJWHOY-UHFFFAOYSA-N 0 0 240.215 1.362 10 5 BDBERN CCOc1cc(CO)c(C)c([N+](=O)[O-])c1 ZINC000575700048 387403406 /nfs/dbraw/zinc/40/34/06/387403406.db2.gz ZVAUUWTZRZUQTQ-UHFFFAOYSA-N 0 0 211.217 1.794 10 5 BDBERN COC(=O)Cc1cc(O)cc([N+](=O)[O-])c1Cl ZINC000575712956 387416442 /nfs/dbraw/zinc/41/64/42/387416442.db2.gz SHGFZGMQRLIQOR-UHFFFAOYSA-N 0 0 245.618 1.669 10 5 BDBERN COC(=O)Cc1cc(F)c([N+](=O)[O-])cc1O ZINC000575713906 387416909 /nfs/dbraw/zinc/41/69/09/387416909.db2.gz KDNVNLUVZFNMOD-UHFFFAOYSA-N 0 0 229.163 1.155 10 5 BDBERN COC(=O)Cc1cc(F)cc(OC)c1[N+](=O)[O-] ZINC000575714158 387418927 /nfs/dbraw/zinc/41/89/27/387418927.db2.gz FJILOBVFJOQIDU-UHFFFAOYSA-N 0 0 243.190 1.458 10 5 BDBERN CCOC(=O)Cc1cc(C)c([N+](=O)[O-])c(N)c1 ZINC000575726844 387463139 /nfs/dbraw/zinc/46/31/39/387463139.db2.gz QIFWWSAICFLCMP-UHFFFAOYSA-N 0 0 238.243 1.591 10 5 BDBERN Nc1ccc([N+](=O)[O-])c([O-])c1OC(F)(F)F ZINC000575729135 387470391 /nfs/dbraw/zinc/47/03/91/387470391.db2.gz VWUBVOOUQDOOLI-UHFFFAOYSA-N 0 0 238.121 1.781 10 5 BDBERN Cc1ccc2c(cc[nH]c2=O)c1[N+](=O)[O-] ZINC000064033952 387783776 /nfs/dbraw/zinc/78/37/76/387783776.db2.gz BRWDJCVVUSQDBQ-UHFFFAOYSA-N 0 0 204.185 1.745 10 5 BDBERN O=[N+]([O-])CC(C[N+](=O)[O-])c1ccccc1 ZINC000036373091 388019826 /nfs/dbraw/zinc/01/98/26/388019826.db2.gz SCTCOOGTIXVHQO-UHFFFAOYSA-N 0 0 210.189 1.324 10 5 BDBERN COC(=O)c1cc([N+](=O)[O-])cc(C)c1N ZINC000039084092 388407371 /nfs/dbraw/zinc/40/73/71/388407371.db2.gz LVXLIYJRATZLAT-UHFFFAOYSA-N 0 0 210.189 1.272 10 5 BDBERN O=C1NCC[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000095221125 388760932 /nfs/dbraw/zinc/76/09/32/388760932.db2.gz XAUYVRCLBBPOOV-SECBINFHSA-N 0 0 206.201 1.198 10 5 BDBERN O=C1CCN(c2ccc([N+](=O)[O-])cc2)C[C@H]1F ZINC000090659451 132311756 /nfs/dbraw/zinc/31/17/56/132311756.db2.gz ZZCXENGKHXWVFB-SNVBAGLBSA-N 0 0 238.218 1.712 10 5 BDBERN Nc1cc([N+](=O)[O-])ccc1N1CCC(O)CC1 ZINC000052840071 132362710 /nfs/dbraw/zinc/36/27/10/132362710.db2.gz IYIMGSGUBWASPR-UHFFFAOYSA-N 0 0 237.259 1.138 10 5 BDBERN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2N)CCO1 ZINC000052840062 132362717 /nfs/dbraw/zinc/36/27/17/132362717.db2.gz WOVHCGZHVFAUPQ-QMMMGPOBSA-N 0 0 237.259 1.402 10 5 BDBERN O=[N+]([O-])c1ccc(N2CCCC[C@H]2CO)cn1 ZINC000054613946 132364941 /nfs/dbraw/zinc/36/49/41/132364941.db2.gz IPOJEGHFEHLIQK-JTQLQIEISA-N 0 0 237.259 1.341 10 5 BDBERN O=[N+]([O-])c1cnccc1NC[C@H](O)C(F)F ZINC000226573031 134366848 /nfs/dbraw/zinc/36/68/48/134366848.db2.gz DJVKTRRSLVHLGD-ZETCQYMHSA-N 0 0 233.174 1.028 10 5 BDBERN Cc1c(CNC2COC2)cccc1[N+](=O)[O-] ZINC000087195326 135111446 /nfs/dbraw/zinc/11/14/46/135111446.db2.gz GDRCYFXPXYMNLM-UHFFFAOYSA-N 0 0 222.244 1.392 10 5 BDBERN CC(C)[NH2+]Cc1ccc([N+](=O)[O-])c([O-])c1 ZINC000050517151 167119601 /nfs/dbraw/zinc/11/96/01/167119601.db2.gz KOIRFJPIVTYYEQ-UHFFFAOYSA-N 0 0 210.233 1.798 10 5 BDBERN CCNc1c(Cl)cc(C(N)=O)cc1[N+](=O)[O-] ZINC000050744570 170171297 /nfs/dbraw/zinc/17/12/97/170171297.db2.gz QIVFGIHSNQQBLP-UHFFFAOYSA-N 0 0 243.650 1.779 10 5 BDBERN CCNc1cc(Cn2ccc([N+](=O)[O-])n2)ccn1 ZINC000052733875 170172958 /nfs/dbraw/zinc/17/29/58/170172958.db2.gz PKOVJFWZNHWPGY-UHFFFAOYSA-N 0 0 247.258 1.666 10 5 BDBERN CCNc1ccc(Cn2cncn2)cc1[N+](=O)[O-] ZINC000050818545 170174613 /nfs/dbraw/zinc/17/46/13/170174613.db2.gz GRQXTDGNOVYBSG-UHFFFAOYSA-N 0 0 247.258 1.666 10 5 BDBERN CCOC(=O)[C@@H](N)c1ccccc1[N+](=O)[O-] ZINC000039186809 170254906 /nfs/dbraw/zinc/25/49/06/170254906.db2.gz ZICLRTSSQWUNIR-VIFPVBQESA-N 0 0 224.216 1.158 10 5 BDBERN CCOc1cc2c[nH]nc2cc1[N+](=O)[O-] ZINC000089197113 170530165 /nfs/dbraw/zinc/53/01/65/170530165.db2.gz ADTFWBVHEFDJTD-UHFFFAOYSA-N 0 0 207.189 1.870 10 5 BDBERN CCn1c(=O)oc2cc([N+](=O)[O-])cc(F)c21 ZINC000039102656 172133890 /nfs/dbraw/zinc/13/38/90/172133890.db2.gz ZYTDLKAVZUDXLQ-UHFFFAOYSA-N 0 0 226.163 1.662 10 5 BDBERN CN(C)C(=O)CNc1cc(F)ccc1[N+](=O)[O-] ZINC000052119436 172371876 /nfs/dbraw/zinc/37/18/76/172371876.db2.gz LRIVVHIWMYCFTB-UHFFFAOYSA-N 0 0 241.222 1.234 10 5 BDBERN CN(CC(C)(C)O)c1cc(F)ccc1[N+](=O)[O-] ZINC000092970344 172627331 /nfs/dbraw/zinc/62/73/31/172627331.db2.gz QHUGYKDEULSSTE-UHFFFAOYSA-N 0 0 242.250 1.941 10 5 BDBERN CN1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000075824255 173095166 /nfs/dbraw/zinc/09/51/66/173095166.db2.gz REPMDCBXXHJOGA-UHFFFAOYSA-N 0 0 221.216 1.467 10 5 BDBERN COc1cc([N+](=O)[O-])c(OC2CC2)cn1 ZINC000095731367 175017647 /nfs/dbraw/zinc/01/76/47/175017647.db2.gz ZFFACARVWPCVFO-UHFFFAOYSA-N 0 0 210.189 1.540 10 5 BDBERN COc1cc2nccnc2c([N+](=O)[O-])c1 ZINC000000243438 175018129 /nfs/dbraw/zinc/01/81/29/175018129.db2.gz CJEXBEAAVGZRFQ-UHFFFAOYSA-N 0 0 205.173 1.547 10 5 BDBERN COc1cnnc2c1cccc2[N+](=O)[O-] ZINC000299889831 175387947 /nfs/dbraw/zinc/38/79/47/175387947.db2.gz PKAAFHUWDHDRLF-UHFFFAOYSA-N 0 0 205.173 1.547 10 5 BDBERN C[C@H](O)CNc1cc(F)cc([N+](=O)[O-])c1 ZINC000037666574 176992319 /nfs/dbraw/zinc/99/23/19/176992319.db2.gz AUTKUIXNTARTEN-LURJTMIESA-N 0 0 214.196 1.527 10 5 BDBERN C[C@@H](Nc1ncc([N+](=O)[O-])s1)[C@H](C)O ZINC000306423869 177005366 /nfs/dbraw/zinc/00/53/66/177005366.db2.gz BVKYQYOICYJHQK-UHNVWZDZSA-N 0 0 217.250 1.233 10 5 BDBERN C[C@H]1C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000075528386 177348774 /nfs/dbraw/zinc/34/87/74/177348774.db2.gz PSZVFUODYNYSBL-XVKPBYJWSA-N 0 0 220.228 1.733 10 5 BDBERN C[C@H]1C[C@@H]1Nc1ccc(N)cc1[N+](=O)[O-] ZINC000287954051 177350671 /nfs/dbraw/zinc/35/06/71/177350671.db2.gz QPZRHHXYXBCSFV-RCOVLWMOSA-N 0 0 207.233 1.997 10 5 BDBERN C[C@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])cc1N ZINC000052841546 177351003 /nfs/dbraw/zinc/35/10/03/177351003.db2.gz FWNDIDSXFRUPFH-WKEGUHRASA-N 0 0 207.233 1.997 10 5 BDBERN Cc1c(N(CCO)C2CC2)cccc1[N+](=O)[O-] ZINC000062724582 177609947 /nfs/dbraw/zinc/60/99/47/177609947.db2.gz SKKUQEJOGIEROX-UHFFFAOYSA-N 0 0 236.271 1.864 10 5 BDBERN CCc1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000146060287 323943797 /nfs/dbraw/zinc/94/37/97/323943797.db2.gz QCBAWUWFMSIGNL-UHFFFAOYSA-N 0 0 209.201 1.944 10 5 BDBERN CCn1ccc(Cl)c([N+](=O)[O-])c1=O ZINC000090367236 523493763 /nfs/dbraw/zinc/49/37/63/523493763.db2.gz JTTSADGEZIOAHB-UHFFFAOYSA-N 0 0 202.597 1.430 10 5 BDBERN C[C@H](O)[C@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000309049916 632628416 /nfs/dbraw/zinc/62/84/16/632628416.db2.gz QLQRMQSVJUCCPJ-BQBZGAKWSA-N 0 0 211.221 1.171 10 5 BDBERN COC1CC(Nc2ncc(C)cc2[N+](=O)[O-])C1 ZINC000230598107 632817872 /nfs/dbraw/zinc/81/78/72/632817872.db2.gz JUVLHWHCEJICPV-UHFFFAOYSA-N 0 0 237.259 1.888 10 5 BDBERN C[C@@H](O)[C@@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000336745947 635257941 /nfs/dbraw/zinc/25/79/41/635257941.db2.gz ASPULUZSHFWXGT-RNFRBKRXSA-N 0 0 211.221 1.171 10 5 BDBERN Cc1cnc(N[C@H](C)[C@H](C)O)c([N+](=O)[O-])c1 ZINC000336782667 635282531 /nfs/dbraw/zinc/28/25/31/635282531.db2.gz YKBSIHOKEDUJPX-SFYZADRCSA-N 0 0 225.248 1.479 10 5 BDBERN C[C@@H](O)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000346516063 637161918 /nfs/dbraw/zinc/16/19/18/637161918.db2.gz QFNDPLUTDXPMKH-PHDIDXHHSA-N 0 0 244.272 1.155 10 5 BDBERN CC(=O)c1cc([N+](=O)[O-])c(-n2cncn2)s1 ZINC000165676096 640588405 /nfs/dbraw/zinc/58/84/05/640588405.db2.gz GFMRPPZCMKYXFW-UHFFFAOYSA-N 0 0 238.228 1.440 10 5 BDBERN C[C@@H](O)[C@@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000309044793 711586059 /nfs/dbraw/zinc/58/60/59/711586059.db2.gz NSPKASGNQAUKBH-HTQZYQBOSA-N 0 0 210.233 1.776 10 5 BDBERN O=[N+]([O-])c1cc(F)c(N[C@@H]2CNOC2)c(F)c1 ZINC000722486153 711759390 /nfs/dbraw/zinc/75/93/90/711759390.db2.gz FZZITFNKQNOPRW-RXMQYKEDSA-N 0 0 245.185 1.188 10 5 BDBERN O=[N+]([O-])c1cccc(Cl)c1N[C@@H]1CNOC1 ZINC000722488828 711759604 /nfs/dbraw/zinc/75/96/04/711759604.db2.gz FTOLPYDGTQVWKG-ZCFIWIBFSA-N 0 0 243.650 1.564 10 5 BDBERN C[C@@H](Nc1cccnc1[N+](=O)[O-])c1cn(C)nn1 ZINC000720524965 712849309 /nfs/dbraw/zinc/84/93/09/712849309.db2.gz SUOTULFGUIOCIQ-SSDOTTSWSA-N 0 0 248.246 1.291 10 5 BDBERN C[C@H](Nc1cccnc1[N+](=O)[O-])c1cn(C)nn1 ZINC000720524966 712849313 /nfs/dbraw/zinc/84/93/13/712849313.db2.gz SUOTULFGUIOCIQ-ZETCQYMHSA-N 0 0 248.246 1.291 10 5 BDBERN NNc1cc([N+](=O)[O-])ccc1-c1cc[nH]n1 ZINC000072417396 398180009 /nfs/dbraw/zinc/18/00/09/398180009.db2.gz PGMJWNNFKSFZQO-UHFFFAOYSA-N 0 0 219.204 1.271 10 5 BDBERN Cc1cc([N+](=O)[O-])ccc1-c1cc(N)n[nH]1 ZINC000044747792 178271322 /nfs/dbraw/zinc/27/13/22/178271322.db2.gz QSRUJQGVILHNBJ-UHFFFAOYSA-N 0 0 218.216 1.876 10 5 BDBERN O=[N+]([O-])c1ccc(Cl)c([C@@H](CO)NO)c1 ZINC000308759289 346910501 /nfs/dbraw/zinc/91/05/01/346910501.db2.gz GXHJMCCSTODZKW-MRVPVSSYSA-N 0 0 232.623 1.260 10 5 BDBERN O=C1c2cccc([N+](=O)[O-])c2[C@@H]2CC(=O)CCN12 ZINC000118093767 343039931 /nfs/dbraw/zinc/03/99/31/343039931.db2.gz QQJCYBHTQWLEEO-JTQLQIEISA-N 0 0 246.222 1.455 10 5 BDBERN O=[N+]([O-])c1cc([C@H]2CCC[NH2+]2)ccc1[O-] ZINC000072201972 343068770 /nfs/dbraw/zinc/06/87/70/343068770.db2.gz AHVFNDQFVWCPNY-MRVPVSSYSA-N 0 0 208.217 1.725 10 5 BDBERN O=[N+]([O-])c1ccc(OC(F)(F)F)c(CO)n1 ZINC000309368559 343333046 /nfs/dbraw/zinc/33/30/46/343333046.db2.gz QKIMTKMREYGQLR-UHFFFAOYSA-N 0 0 238.121 1.381 10 5 BDBERN O=[N+]([O-])c1cc(-c2ncon2)cc(F)c1F ZINC000096102589 187288704 /nfs/dbraw/zinc/28/87/04/187288704.db2.gz PHKKSKHFQZBOQH-UHFFFAOYSA-N 0 0 227.126 1.923 10 5 BDBERN COCCOc1nc(C)ccc1[N+](=O)[O-] ZINC000220035286 344307679 /nfs/dbraw/zinc/30/76/79/344307679.db2.gz HYQJLUJGDGPCBA-UHFFFAOYSA-N 0 0 212.205 1.323 10 5 BDBERN O=[N+]([O-])c1ccc(NCC2CC(O)C2)nc1 ZINC000084448772 344432167 /nfs/dbraw/zinc/43/21/67/344432167.db2.gz DHRVUHWSKUKYJD-UHFFFAOYSA-N 0 0 223.232 1.173 10 5 BDBERN O=[N+]([O-])c1cc([C@H]2NCCS2)cs1 ZINC000050522918 344705564 /nfs/dbraw/zinc/70/55/64/344705564.db2.gz IWZLIVKDSHFLSJ-ZETCQYMHSA-N 0 0 216.287 1.991 10 5 BDBERN O=[N+]([O-])c1cnn(-c2ccnc(Cl)n2)c1 ZINC000221261037 344713700 /nfs/dbraw/zinc/71/37/00/344713700.db2.gz OTWRHBWZTWLROY-UHFFFAOYSA-N 0 0 225.595 1.224 10 5 BDBERN CCOc1ccc([N+](=O)[O-])c(C=O)c1O ZINC000039099805 344801682 /nfs/dbraw/zinc/80/16/82/344801682.db2.gz MYNCDHXTXUZFMC-UHFFFAOYSA-N 0 0 211.173 1.512 10 5 BDBERN C[C@@H](O)COc1c(F)c(F)ccc1[N+](=O)[O-] ZINC000033994468 345814775 /nfs/dbraw/zinc/81/47/75/345814775.db2.gz APSOJUZMKUMRAK-RXMQYKEDSA-N 0 0 233.170 1.633 10 5 BDBERN O=[N+]([O-])C[C@@H](O)c1cccc(Br)c1 ZINC000136774927 345820190 /nfs/dbraw/zinc/82/01/90/345820190.db2.gz FPNSSOOFMYVGFF-MRVPVSSYSA-N 0 0 246.060 1.759 10 5 BDBERN C[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000034867343 345842223 /nfs/dbraw/zinc/84/22/23/345842223.db2.gz OTUTVZBRKAKMKO-OIBJUYFYSA-N 0 0 211.217 1.257 10 5 BDBERN COC(=O)c1ccc(CN(C)C)c([N+](=O)[O-])c1 ZINC000142167248 345862545 /nfs/dbraw/zinc/86/25/45/345862545.db2.gz LOXFHIUOMRKKTM-UHFFFAOYSA-N 0 0 238.243 1.443 10 5 BDBERN Cc1ccc([N+](=O)[O-])cc1N[C@H]1CCC(=O)NC1 ZINC000104241038 178933573 /nfs/dbraw/zinc/93/35/73/178933573.db2.gz FYHHZISFZNVYEW-VIFPVBQESA-N 0 0 249.270 1.594 10 5 BDBERN COc1cc(C(N)=O)c(C)cc1[N+](=O)[O-] ZINC000166965027 346176529 /nfs/dbraw/zinc/17/65/29/346176529.db2.gz VEMPTTKNUZDWGW-UHFFFAOYSA-N 0 0 210.189 1.011 10 5 BDBERN O=[N+]([O-])c1ccc(C2N=NC(=S)N2)s1 ZINC000236610866 346260070 /nfs/dbraw/zinc/26/00/70/346260070.db2.gz CJQDMCBZHVPIDN-UHFFFAOYSA-N 0 0 228.258 1.730 10 5 BDBERN O=c1[nH]c2c(ccc3ccccc32)oc1=O ZINC000026647511 187320330 /nfs/dbraw/zinc/32/03/30/187320330.db2.gz MJNQCAVYAWNGNA-UHFFFAOYSA-N 0 0 213.192 1.635 10 5 BDBERN C[C@@H]1C[C@H](O)CCN1c1ccccc1[N+](=O)[O-] ZINC000601214539 346712688 /nfs/dbraw/zinc/71/26/88/346712688.db2.gz YAZDFPRLPIVFAX-NXEZZACHSA-N 0 0 236.271 1.944 10 5 BDBERN Cc1cccc(Nc2nc[nH]c(=O)c2[N+](=O)[O-])n1 ZINC000040584803 179158422 /nfs/dbraw/zinc/15/84/22/179158422.db2.gz DDYKCZWVDWUJFR-UHFFFAOYSA-N 0 0 247.214 1.125 10 5 BDBERN O=C1c2ccc([N+](=O)[O-])cc2CN1C1CC1 ZINC000115369992 347354770 /nfs/dbraw/zinc/35/47/70/347354770.db2.gz CFXNXBCTOJCMTJ-UHFFFAOYSA-N 0 0 218.212 1.713 10 5 BDBERN O=C1CCCCCN1c1ccc([N+](=O)[O-])nc1 ZINC000202443505 347439243 /nfs/dbraw/zinc/43/92/43/347439243.db2.gz QTBPZJNCYRDVHL-UHFFFAOYSA-N 0 0 235.243 1.897 10 5 BDBERN C[C@H](CC(=O)c1ccccn1)C[N+](=O)[O-] ZINC000207470892 348767693 /nfs/dbraw/zinc/76/76/93/348767693.db2.gz MTHDCXTWUMIDJF-MRVPVSSYSA-N 0 0 208.217 1.567 10 5 BDBERN Cc1nc(N[C@@H]2C[C@H]2CO)ccc1[N+](=O)[O-] ZINC000382206160 349181919 /nfs/dbraw/zinc/18/19/19/349181919.db2.gz GEAZVXBRWMKXEE-JGVFFNPUSA-N 0 0 223.232 1.091 10 5 BDBERN Cn1ncc([N+](=O)[O-])c1[C@@H]1CC(=O)CCCO1 ZINC000216876390 350020801 /nfs/dbraw/zinc/02/08/01/350020801.db2.gz HQKDHNPJZBRQHR-VIFPVBQESA-N 0 0 239.231 1.139 10 5 BDBERN Cn1nc([N+](=O)[O-])cc1CO[C@H]1CCCCO1 ZINC000217661055 350067123 /nfs/dbraw/zinc/06/71/23/350067123.db2.gz TWWWXASHHUGWDN-JTQLQIEISA-N 0 0 241.247 1.372 10 5 BDBERN Cc1nc(Cl)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000035570047 179987722 /nfs/dbraw/zinc/98/77/22/179987722.db2.gz SMTSVFRZTHCNRS-UHFFFAOYSA-N 0 0 217.568 1.860 10 5 BDBERN Cc1nn(C)c(N[C@@H]2CCO[C@H]2C)c1[N+](=O)[O-] ZINC000150026820 180359677 /nfs/dbraw/zinc/35/96/77/180359677.db2.gz AOXYNHHXXWSSAW-JGVFFNPUSA-N 0 0 240.263 1.226 10 5 BDBERN O=Cc1[nH]nc2cc([N+](=O)[O-])cc(Cl)c12 ZINC000014984247 350440634 /nfs/dbraw/zinc/44/06/34/350440634.db2.gz SEGIVGBUQHAVLV-UHFFFAOYSA-N 0 0 225.591 1.937 10 5 BDBERN Cc1nn(C)cc1Nc1ccc([N+](=O)[O-])cn1 ZINC000226227138 180376611 /nfs/dbraw/zinc/37/66/11/180376611.db2.gz FKKAAKUVCWFTCN-UHFFFAOYSA-N 0 0 233.231 1.775 10 5 BDBERN CC1N=NC(=S)N1c1ccccc1[N+](=O)[O-] ZINC000095829636 180437910 /nfs/dbraw/zinc/43/79/10/180437910.db2.gz ZUFLYWDFAZENKO-UHFFFAOYSA-N 0 0 236.256 1.773 10 5 BDBERN Cc1ccc([N+](=O)[O-])c(Cl)c1C(N)=O ZINC000306733557 350903399 /nfs/dbraw/zinc/90/33/99/350903399.db2.gz IFNJJCGCKZQDLB-UHFFFAOYSA-N 0 0 214.608 1.656 10 5 BDBERN NNc1c(Br)cccc1[N+](=O)[O-] ZINC000306921958 351342223 /nfs/dbraw/zinc/34/22/23/351342223.db2.gz SSBQWIFFCAKSFK-UHFFFAOYSA-N 0 0 232.037 1.643 10 5 BDBERN CC(=O)Oc1cnc(Cl)c([N+](=O)[O-])c1 ZINC000299889388 188043258 /nfs/dbraw/zinc/04/32/58/188043258.db2.gz IPXMXLOEERGZSS-UHFFFAOYSA-N 0 0 216.580 1.569 10 5 BDBERN C/C(=C\c1ncc(Cl)n1C)[N+](=O)[O-] ZINC000308108380 353886731 /nfs/dbraw/zinc/88/67/31/353886731.db2.gz JSLHAICWLPLYED-HWKANZROSA-N 0 0 201.613 1.711 10 5 BDBERN N=C1SCC(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000039201471 181207857 /nfs/dbraw/zinc/20/78/57/181207857.db2.gz PJRAHXKSQOVVHG-UHFFFAOYSA-N 0 0 237.240 1.609 10 5 BDBERN NC(=O)c1cc([N+](=O)[O-])c(F)cc1Cl ZINC000144641914 181292372 /nfs/dbraw/zinc/29/23/72/181292372.db2.gz WTSFDNQTDBTFBX-UHFFFAOYSA-N 0 0 218.571 1.486 10 5 BDBERN COc1ccccc1C(C[N+](=O)[O-])C[N+](=O)[O-] ZINC000584614756 358279382 /nfs/dbraw/zinc/27/93/82/358279382.db2.gz HVKURUXJAQFVCE-UHFFFAOYSA-N 0 0 240.215 1.332 10 5 BDBERN O=c1nc2ccccn2c2c(F)cccc12 ZINC000584615661 358280304 /nfs/dbraw/zinc/28/03/04/358280304.db2.gz APCGJPHHTYTVHN-UHFFFAOYSA-N 0 0 214.199 1.987 10 5 BDBERN C[C@@]1(O)CCN[C@@H](c2ccccc2)[C@@H]1[N+](=O)[O-] ZINC000584608811 358269257 /nfs/dbraw/zinc/26/92/57/358269257.db2.gz OLMYXSWHSNCQGV-SDDRHHMPSA-N 0 0 236.271 1.117 10 5 BDBERN O=[N+]([O-])c1no[n+]([O-])c1-c1ccc(Cl)cc1 ZINC000584629877 358298990 /nfs/dbraw/zinc/29/89/90/358298990.db2.gz JDEHZHRGIAAZOZ-UHFFFAOYSA-N 0 0 241.590 1.537 10 5 BDBERN COC(=O)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000142115695 358568022 /nfs/dbraw/zinc/56/80/22/358568022.db2.gz NMTXRGYKJNMEFK-UHFFFAOYSA-N 0 0 229.619 1.964 10 5 BDBERN Nc1c([N+](=O)[O-])ccnc1C(F)(F)F ZINC000306167419 358976611 /nfs/dbraw/zinc/97/66/11/358976611.db2.gz NFPZWLYEGZEJFS-UHFFFAOYSA-N 0 0 207.111 1.591 10 5 BDBERN Nc1ccc(OC(F)(F)F)nc1[N+](=O)[O-] ZINC000238610327 361163062 /nfs/dbraw/zinc/16/30/62/361163062.db2.gz XYFAQQRMVHDTHU-UHFFFAOYSA-N 0 0 223.110 1.471 10 5 BDBERN O=[N+]([O-])c1cccc(O[C@@H]2CCC[C@H]2O)c1 ZINC000037696187 364525416 /nfs/dbraw/zinc/52/54/16/364525416.db2.gz DILHHWUESATYNX-GHMZBOCLSA-N 0 0 223.228 1.887 10 5 BDBERN O=[N+]([O-])c1ccc2c(c1)NC(=S)CO2 ZINC000039375031 368330191 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UQEJOUTXKIQOJS-UHFFFAOYSA-N 0 0 211.217 1.794 10 5 BDBERN COc1cc(F)cc(CO)c1[N+](=O)[O-] ZINC000575709350 387413774 /nfs/dbraw/zinc/41/37/74/387413774.db2.gz WINPCBCTJDTUAU-UHFFFAOYSA-N 0 0 201.153 1.235 10 5 BDBERN COC(=O)Cc1c(Cl)ccc(N)c1[N+](=O)[O-] ZINC000575728758 387468334 /nfs/dbraw/zinc/46/83/34/387468334.db2.gz IDKQUWBMWIWJHH-UHFFFAOYSA-N 0 0 244.634 1.546 10 5 BDBERN COC(=O)Cc1cc(N)cc([N+](=O)[O-])c1Cl ZINC000575730285 387469900 /nfs/dbraw/zinc/46/99/00/387469900.db2.gz PLAYCUXFQFQYCO-UHFFFAOYSA-N 0 0 244.634 1.546 10 5 BDBERN CC[C@H](NC(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000090073698 388387869 /nfs/dbraw/zinc/38/78/69/388387869.db2.gz DXSVWTONDVGWGU-JTQLQIEISA-N 0 0 237.259 1.975 10 5 BDBERN CCn1ccnc1Cn1cnc([N+](=O)[O-])c1 ZINC000195517356 388475828 /nfs/dbraw/zinc/47/58/28/388475828.db2.gz KNZTXEUSMADXLJ-UHFFFAOYSA-N 0 0 221.220 1.056 10 5 BDBERN Nc1nc(-c2cccc([N+](=O)[O-])n2)ns1 ZINC000067173699 388693871 /nfs/dbraw/zinc/69/38/71/388693871.db2.gz SWAYAUGWLCTMRU-UHFFFAOYSA-N 0 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1.267 10 5 BDBERN COC(=O)Cc1cc(Cl)c([N+](=O)[O-])cc1N ZINC000575725853 398069650 /nfs/dbraw/zinc/06/96/50/398069650.db2.gz LENSMZBJQVBURB-UHFFFAOYSA-N 0 0 244.634 1.546 10 5 BDBERN CC(C)Nc1cc2c(cc1[N+](=O)[O-])CC(=O)N2 ZINC000035345361 167144615 /nfs/dbraw/zinc/14/46/15/167144615.db2.gz PKRVZMVITBJIGU-UHFFFAOYSA-N 0 0 235.243 1.910 10 5 BDBERN Cn1ncc([N+](=O)[O-])c1C1=CC[C@H]2O[C@H]2CC1 ZINC000584645406 411289754 /nfs/dbraw/zinc/28/97/54/411289754.db2.gz TTXBWRLZILJHID-ZJUUUORDSA-N 0 0 235.243 1.663 10 5 BDBERN CCN1CC[C@@H](C[N+](=O)[O-])CC1=S ZINC000034543594 170009500 /nfs/dbraw/zinc/00/95/00/170009500.db2.gz IZRHGCUXGUQSHL-SSDOTTSWSA-N 0 0 202.279 1.322 10 5 BDBERN CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000034566941 170173000 /nfs/dbraw/zinc/17/30/00/170173000.db2.gz SQEROBCPIQAGTH-UHFFFAOYSA-N 0 0 234.215 1.263 10 5 BDBERN CCNc1ncnc(N2CCCC2)c1[N+](=O)[O-] ZINC000040596090 170178073 /nfs/dbraw/zinc/17/80/73/170178073.db2.gz ZEKOVCAZSAJFTM-UHFFFAOYSA-N 0 0 237.263 1.417 10 5 BDBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1C[C@@H]1C ZINC000288947829 172137495 /nfs/dbraw/zinc/13/74/95/172137495.db2.gz SCLCJFJPMMPRAL-XPUUQOCRSA-N 0 0 224.264 1.940 10 5 BDBERN CN(CC1CC(O)C1)c1ncccc1[N+](=O)[O-] ZINC000091490232 172645924 /nfs/dbraw/zinc/64/59/24/172645924.db2.gz CQKPRZDAIFITOM-UHFFFAOYSA-N 0 0 237.259 1.197 10 5 BDBERN CNC(=O)CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000008119494 173278449 /nfs/dbraw/zinc/27/84/49/173278449.db2.gz KBWIBGDYKBZOQH-UHFFFAOYSA-N 0 0 243.650 1.406 10 5 BDBERN COC(=O)c1ccc(/C=C\[N+](=O)[O-])cc1 ZINC000006007978 173866871 /nfs/dbraw/zinc/86/68/71/173866871.db2.gz CZVMCLFJQCOHGX-SREVYHEPSA-N 0 0 207.185 1.721 10 5 BDBERN COc1ccc(C(C)=O)c(OC)c1[N+](=O)[O-] ZINC000098179174 175067925 /nfs/dbraw/zinc/06/79/25/175067925.db2.gz ZGDIGYSVMZINGW-UHFFFAOYSA-N 0 0 225.200 1.815 10 5 BDBERN COc1ccc(OCCCCO)c([N+](=O)[O-])c1 ZINC000035650275 175172714 /nfs/dbraw/zinc/17/27/14/175172714.db2.gz BSPFWAYYUQTLON-UHFFFAOYSA-N 0 0 241.243 1.755 10 5 BDBERN COc1ccc([N+](=O)[O-])cc1CNC1COC1 ZINC000094710372 175201159 /nfs/dbraw/zinc/20/11/59/175201159.db2.gz JSPCILNDEDUFKR-UHFFFAOYSA-N 0 0 238.243 1.092 10 5 BDBERN C[C@@H]1CC(=O)N[C@@H](c2ccccc2)[C@@H]1[N+](=O)[O-] ZINC000096032504 176050346 /nfs/dbraw/zinc/05/03/46/176050346.db2.gz JOMJJSQKSCKHRY-JFUSQASVSA-N 0 0 234.255 1.529 10 5 BDBERN C[C@H](c1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000091302147 177035540 /nfs/dbraw/zinc/03/55/40/177035540.db2.gz QIYBRUQLBAEJGZ-SNVBAGLBSA-N 0 0 236.271 1.988 10 5 BDBERN C[C@H]1CCCN1C(=O)c1cc(N)ccc1[N+](=O)[O-] ZINC000050692997 177108397 /nfs/dbraw/zinc/10/83/97/177108397.db2.gz KKHHQMFCNPJZTO-QMMMGPOBSA-N 0 0 249.270 1.802 10 5 BDBERN C[C@H]1C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000171060045 177385061 /nfs/dbraw/zinc/38/50/61/177385061.db2.gz OAPMFQLEOFXMDZ-OIBJUYFYSA-N 0 0 220.228 1.733 10 5 BDBERN C[C@H]1NC(=O)CC[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000281688106 177393585 /nfs/dbraw/zinc/39/35/85/177393585.db2.gz RQEWPKGKMPPBFT-BDAKNGLRSA-N 0 0 249.270 1.674 10 5 BDBERN O=Cc1ccc([N+](=O)[O-])c2cccnc12 ZINC000026443320 487858433 /nfs/dbraw/zinc/85/84/33/487858433.db2.gz OADWZRGEFPVNSY-UHFFFAOYSA-N 0 0 202.169 1.956 10 5 BDBERN CC(C)(C)[C@@H](O)CNc1ncc([N+](=O)[O-])s1 ZINC000309673013 582674559 /nfs/dbraw/zinc/67/45/59/582674559.db2.gz KRZPHAFCWVOXER-LURJTMIESA-N 0 0 245.304 1.870 10 5 BDBERN Cc1cc(N[C@@H](C)[C@@H](C)O)ncc1[N+](=O)[O-] ZINC000309950739 633973629 /nfs/dbraw/zinc/97/36/29/633973629.db2.gz FXMCUOMTJBZMID-JGVFFNPUSA-N 0 0 225.248 1.479 10 5 BDBERN C[C@H](O)[C@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000309957840 633980726 /nfs/dbraw/zinc/98/07/26/633980726.db2.gz JLMZRZHVTTVESB-BQBZGAKWSA-N 0 0 228.223 1.915 10 5 BDBERN C[C@@H](O)[C@@H](C)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000336751229 635257756 /nfs/dbraw/zinc/25/77/56/635257756.db2.gz CEDBZTFEKDNGIT-PHDIDXHHSA-N 0 0 245.666 1.824 10 5 BDBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)O ZINC000346469179 637145175 /nfs/dbraw/zinc/14/51/75/637145175.db2.gz JVDJGWTXERBWNW-SFYZADRCSA-N 0 0 238.243 1.094 10 5 BDBERN COC1CC(Nc2ncccc2[N+](=O)[O-])C1 ZINC000230597445 641071243 /nfs/dbraw/zinc/07/12/43/641071243.db2.gz XBKDWPAKNNCYJV-UHFFFAOYSA-N 0 0 223.232 1.579 10 5 BDBERN COCC1CC(Nc2ncc([N+](=O)[O-])s2)C1 ZINC000714006910 712476901 /nfs/dbraw/zinc/47/69/01/712476901.db2.gz JLYXRQQFEWSYGP-UHFFFAOYSA-N 0 0 243.288 1.888 10 5 BDBERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1)[C@H](C)O ZINC000309044795 711586020 /nfs/dbraw/zinc/58/60/20/711586020.db2.gz NSPKASGNQAUKBH-SFYZADRCSA-N 0 0 210.233 1.776 10 5 BDBERN Cc1cc(N[C@H]2CNOC2)c(F)cc1[N+](=O)[O-] ZINC000722501316 711760094 /nfs/dbraw/zinc/76/00/94/711760094.db2.gz DGOKSKDVCHTCNF-ZETCQYMHSA-N 0 0 241.222 1.358 10 5 BDBERN Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)C(N)=O ZINC000035138187 178272394 /nfs/dbraw/zinc/27/23/94/178272394.db2.gz RTZPMVCFKATPDG-ZETCQYMHSA-N 0 0 223.232 1.189 10 5 BDBERN COc1c(N)c([N+](=O)[O-])ccc1Cl ZINC000231546574 361858155 /nfs/dbraw/zinc/85/81/55/361858155.db2.gz NDQZOZFPLFYJFQ-UHFFFAOYSA-N 0 0 202.597 1.839 10 5 BDBERN C=CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000004336008 342845479 /nfs/dbraw/zinc/84/54/79/342845479.db2.gz KTPWOMFFSYSOIM-UHFFFAOYSA-N 0 0 218.212 1.670 10 5 BDBERN C[C@H]1OCC[C@H]1Nc1ccncc1[N+](=O)[O-] ZINC000134572570 342869180 /nfs/dbraw/zinc/86/91/80/342869180.db2.gz ZVFRZMREGUMBLG-HTQZYQBOSA-N 0 0 223.232 1.579 10 5 BDBERN COC(=O)Cc1cc([N+](=O)[O-])c(F)cc1C ZINC000309157718 342898012 /nfs/dbraw/zinc/89/80/12/342898012.db2.gz ULPXVNQXABLXCH-UHFFFAOYSA-N 0 0 227.191 1.758 10 5 BDBERN O=[N+]([O-])c1cc([C@H]2CCC[NH2+]C2)ccc1[O-] ZINC000039150092 343119235 /nfs/dbraw/zinc/11/92/35/343119235.db2.gz OLYTYHXZKRUJAS-VIFPVBQESA-N 0 0 222.244 1.767 10 5 BDBERN CCOC(=O)[C@@]1([N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000114061678 343120377 /nfs/dbraw/zinc/12/03/77/343120377.db2.gz MZFTYSDMOSREIT-CMPLNLGQSA-N 0 0 235.239 1.753 10 5 BDBERN C[C@@H](O)c1ccc([C@H](C)O)c([N+](=O)[O-])c1 ZINC000143390799 343124318 /nfs/dbraw/zinc/12/43/18/343124318.db2.gz LKLZYVWHVHFVON-RQJHMYQMSA-N 0 0 211.217 1.701 10 5 BDBERN CN(C)C(=O)/C=C/c1ccc([N+](=O)[O-])s1 ZINC000096574702 343155163 /nfs/dbraw/zinc/15/51/63/343155163.db2.gz ZWBMGPDEFRWUKJ-HWKANZROSA-N 0 0 226.257 1.758 10 5 BDBERN Cc1nccn1-c1ccc(CO)cc1[N+](=O)[O-] ZINC000020468316 187254252 /nfs/dbraw/zinc/25/42/52/187254252.db2.gz QEKWCDDKYFPHQR-UHFFFAOYSA-N 0 0 233.227 1.581 10 5 BDBERN COc1cc(OC(F)(F)F)cc([N+](=O)[O-])n1 ZINC000309515444 343661835 /nfs/dbraw/zinc/66/18/35/343661835.db2.gz ULUNDPGVBUYDOD-UHFFFAOYSA-N 0 0 238.121 1.897 10 5 BDBERN O=Cc1cc(OC(F)(F)F)nc([N+](=O)[O-])c1 ZINC000309538427 343709389 /nfs/dbraw/zinc/70/93/89/343709389.db2.gz FSYBGLZSBKCWKT-UHFFFAOYSA-N 0 0 236.105 1.701 10 5 BDBERN O=[N+]([O-])c1c(Cl)ncnc1-n1cccn1 ZINC000050455961 344692107 /nfs/dbraw/zinc/69/21/07/344692107.db2.gz FOPVKTBIFKDGQD-UHFFFAOYSA-N 0 0 225.595 1.224 10 5 BDBERN C[C@H]1CCCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000408310780 345112244 /nfs/dbraw/zinc/11/22/44/345112244.db2.gz UKUAHCSQMARNBR-VIFPVBQESA-N 0 0 238.291 1.560 10 5 BDBERN COC(=O)/C=C/c1cc([N+](=O)[O-])ccc1F ZINC000145741857 345209042 /nfs/dbraw/zinc/20/90/42/345209042.db2.gz HWFOLSXXVBADEM-GORDUTHDSA-N 0 0 225.175 1.920 10 5 BDBERN Cc1cccc2c1ccc1nc(N)[nH]c(=O)c12 ZINC000013832402 179225082 /nfs/dbraw/zinc/22/50/82/179225082.db2.gz DEMHXDKQZQKYCS-UHFFFAOYSA-N 0 0 225.251 1.967 10 5 BDBERN O=[N+]([O-])c1ccc(NC2CC(CO)C2)nc1 ZINC000596565481 348580073 /nfs/dbraw/zinc/58/00/73/348580073.db2.gz CEWKXTOHHNBVJW-UHFFFAOYSA-N 0 0 223.232 1.173 10 5 BDBERN Cc1cc(NC2CC(CO)C2)ncc1[N+](=O)[O-] ZINC000596568415 348580792 /nfs/dbraw/zinc/58/07/92/348580792.db2.gz NHJXFZCKHGGPJZ-UHFFFAOYSA-N 0 0 237.259 1.481 10 5 BDBERN Cc1nn(C)c(N[C@H]2CCO[C@H]2C)c1[N+](=O)[O-] ZINC000150027021 180359420 /nfs/dbraw/zinc/35/94/20/180359420.db2.gz AOXYNHHXXWSSAW-YUMQZZPRSA-N 0 0 240.263 1.226 10 5 BDBERN Cc1cc(C(=O)N2CC=CCN2)ccc1[N+](=O)[O-] ZINC000600136504 350933380 /nfs/dbraw/zinc/93/33/80/350933380.db2.gz DGNIEOSEZASRDG-UHFFFAOYSA-N 0 0 247.254 1.420 10 5 BDBERN C[C@H](CNc1ccc([N+](=O)[O-])cn1)[S@](C)=O ZINC000159856046 351017709 /nfs/dbraw/zinc/01/77/09/351017709.db2.gz OUMMTOBYFXOUPU-VGDKGRGNSA-N 0 0 243.288 1.169 10 5 BDBERN COc1ccc(OC)c([N+](=O)[O-])c1F ZINC000307041786 351443481 /nfs/dbraw/zinc/44/34/81/351443481.db2.gz QJMKJLXENHTHFR-UHFFFAOYSA-N 0 0 201.153 1.751 10 5 BDBERN C[C@H](NO)c1cc([N+](=O)[O-])ccc1F ZINC000307289770 351858231 /nfs/dbraw/zinc/85/82/31/351858231.db2.gz ZFPQOWXWEMTZTJ-YFKPBYRVSA-N 0 0 200.169 1.774 10 5 BDBERN CC(C)CN1c2ccc([N+](=O)[O-])cc2[C@@H](N)C1=O ZINC000019795677 352755271 /nfs/dbraw/zinc/75/52/71/352755271.db2.gz FBTJFZXPNORZMC-LLVKDONJSA-N 0 0 249.270 1.597 10 5 BDBERN COC(=O)Cc1cc(F)cc([N+](=O)[O-])c1 ZINC000231463871 363343374 /nfs/dbraw/zinc/34/33/74/363343374.db2.gz UWECGABYPSXPQF-UHFFFAOYSA-N 0 0 213.164 1.449 10 5 BDBERN NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000035575864 181287938 /nfs/dbraw/zinc/28/79/38/181287938.db2.gz WHBFRLCSAZCZOG-UHFFFAOYSA-N 0 0 234.133 1.713 10 5 BDBERN O=[N+]([O-])c1ccc(NC[C@@H]2CCC[C@@H]2O)cn1 ZINC000089167695 357035318 /nfs/dbraw/zinc/03/53/18/357035318.db2.gz TVWNQPAGHYYEJN-WPRPVWTQSA-N 0 0 237.259 1.563 10 5 BDBERN COC(=O)[C@H](F)c1cc(OC)ccc1[N+](=O)[O-] ZINC000584606731 358266613 /nfs/dbraw/zinc/26/66/13/358266613.db2.gz OYDQDFOQZISHRN-SECBINFHSA-N 0 0 243.190 1.787 10 5 BDBERN COc1cc([N+](=O)[O-])ccc1[S@@](C)=O ZINC000584626475 358295737 /nfs/dbraw/zinc/29/57/37/358295737.db2.gz DFFGFZQJEOFBSB-CQSZACIVSA-N 0 0 215.230 1.341 10 5 BDBERN C[C@H](O)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000584617584 358282749 /nfs/dbraw/zinc/28/27/49/358282749.db2.gz CIMZQJPUCHOPLY-ZETCQYMHSA-N 0 0 221.216 1.325 10 5 BDBERN O=[N+]([O-])c1cc(Br)cnc1NO ZINC000306421032 359866036 /nfs/dbraw/zinc/86/60/36/359866036.db2.gz GONHNRKSYZUWAZ-UHFFFAOYSA-N 0 0 234.009 1.553 10 5 BDBERN O=c1[nH]c2cc(C(F)(F)F)cc([N+](=O)[O-])c2[nH]1 ZINC000035963116 360378736 /nfs/dbraw/zinc/37/87/36/360378736.db2.gz UIIPAWOMGQVNBW-UHFFFAOYSA-N 0 0 247.132 1.783 10 5 BDBERN NOc1cc(F)c([N+](=O)[O-])cc1Cl ZINC000306569917 360450027 /nfs/dbraw/zinc/45/00/27/360450027.db2.gz LWUSYTQKWYEXGF-UHFFFAOYSA-N 0 0 206.560 1.640 10 5 BDBERN NC(=S)c1c(F)cccc1[N+](=O)[O-] ZINC000083343325 181320797 /nfs/dbraw/zinc/32/07/97/181320797.db2.gz YFJAVWKJPLVEGP-UHFFFAOYSA-N 0 0 200.194 1.368 10 5 BDBERN Nc1cnc(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC000238597543 361162304 /nfs/dbraw/zinc/16/23/04/361162304.db2.gz VBEDTVSXOACUKQ-UHFFFAOYSA-N 0 0 223.110 1.471 10 5 BDBERN Nc1ccc(OC(F)(F)F)c([N+](=O)[O-])n1 ZINC000238609393 361163502 /nfs/dbraw/zinc/16/35/02/361163502.db2.gz IVJKBHYIWOOFGM-UHFFFAOYSA-N 0 0 223.110 1.471 10 5 BDBERN O=[N+]([O-])c1cccc(-c2cc[n+]([O-])cc2)c1 ZINC000139731406 364584396 /nfs/dbraw/zinc/58/43/96/364584396.db2.gz VBKLFVUIXLOINQ-UHFFFAOYSA-N 0 0 217.204 1.787 10 5 BDBERN CCC[C@H](O)Cc1onc(C)c1[N+](=O)[O-] ZINC000223636550 368365045 /nfs/dbraw/zinc/36/50/45/368365045.db2.gz KFTGSVZVSMQUNM-ZETCQYMHSA-N 0 0 214.221 1.595 10 5 BDBERN NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000019863825 368366271 /nfs/dbraw/zinc/36/62/71/368366271.db2.gz OQJGPNXRBOSKIX-UHFFFAOYSA-N 0 0 231.664 1.904 10 5 BDBERN Cc1ccc(N[C@@H]2C[C@H]2CO)c([N+](=O)[O-])c1 ZINC000378667471 371012541 /nfs/dbraw/zinc/01/25/41/371012541.db2.gz HJPHTCRPUMWJNL-WCBMZHEXSA-N 0 0 222.244 1.696 10 5 BDBERN Nc1c([N+](=O)[O-])cnn1[C@@H]1CCSC1 ZINC000043669429 181671986 /nfs/dbraw/zinc/67/19/86/181671986.db2.gz BPYOOFSZSBXQNC-RXMQYKEDSA-N 0 0 214.250 1.052 10 5 BDBERN Nc1nc(-c2ccc([N+](=O)[O-])cn2)ns1 ZINC000067173697 181776121 /nfs/dbraw/zinc/77/61/21/181776121.db2.gz IZHVFYVFMDGTOP-UHFFFAOYSA-N 0 0 223.217 1.091 10 5 BDBERN Nc1ncc([N+](=O)[O-])c(Cl)c1Cl ZINC000299889956 181798055 /nfs/dbraw/zinc/79/80/55/181798055.db2.gz RNHYZASMJWNBGG-UHFFFAOYSA-N 0 0 208.004 1.879 10 5 BDBERN O=[N+]([O-])c1ncccc1N[C@@H]1CCC[C@H](O)C1 ZINC000603865931 371938298 /nfs/dbraw/zinc/93/82/98/371938298.db2.gz UPFHVXXKXOZHJT-BDAKNGLRSA-N 0 0 237.259 1.705 10 5 BDBERN CC(=O)O[C@@H](c1ccccc1)[C@@H](C)[N+](=O)[O-] ZINC000039221771 372910190 /nfs/dbraw/zinc/91/01/90/372910190.db2.gz LCNVWDVWJBEJTA-LDYMZIIASA-N 0 0 223.228 1.956 10 5 BDBERN O=C1NC(=O)[C@]2(c3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000039332062 372945422 /nfs/dbraw/zinc/94/54/22/372945422.db2.gz CZGLQVJHGXNWHV-KCJUWKMLSA-N 0 0 232.195 1.349 10 5 BDBERN O=C1CS[C@@H](c2ccccc2[N+](=O)[O-])O1 ZINC000255979715 182772312 /nfs/dbraw/zinc/77/23/12/182772312.db2.gz IUHOQSLGKIBIHE-VIFPVBQESA-N 0 0 225.225 1.883 10 5 BDBERN O=[N+]([O-])/C=C/c1ccc(F)c([N+](=O)[O-])c1 ZINC000002519283 182918895 /nfs/dbraw/zinc/91/88/95/182918895.db2.gz PLZDILBOPSCEHF-ONEGZZNKSA-N 0 0 212.136 1.981 10 5 BDBERN O=[N+]([O-])c1ccnc(NC2CCOCC2)c1 ZINC000043567777 182954728 /nfs/dbraw/zinc/95/47/28/182954728.db2.gz GOKRSFUCSVQRMN-UHFFFAOYSA-N 0 0 223.232 1.581 10 5 BDBERN CCCOc1ncnc(NC)c1[N+](=O)[O-] ZINC000082486604 169328827 /nfs/dbraw/zinc/32/88/27/169328827.db2.gz SLIQXMKJIVOQQW-UHFFFAOYSA-N 0 0 212.209 1.215 10 5 BDBERN O=[N+]([O-])c1cc(-c2ncon2)c(F)cc1F ZINC000096102583 384209286 /nfs/dbraw/zinc/20/92/86/384209286.db2.gz QGZNXEAPWIAGGD-UHFFFAOYSA-N 0 0 227.126 1.923 10 5 BDBERN CC(C)(C)OC(=O)N1CCC[C@H](C[N+](=O)[O-])C1 ZINC000096985646 384274129 /nfs/dbraw/zinc/27/41/29/384274129.db2.gz JTNPNGSWOZADPI-VIFPVBQESA-N 0 0 244.291 1.910 10 5 BDBERN O=[N+]([O-])c1cc(O)c(CO)cc1OC(F)F ZINC000575663437 384424705 /nfs/dbraw/zinc/42/47/05/384424705.db2.gz ZTVYQFFYZBZZCQ-UHFFFAOYSA-N 0 0 235.142 1.394 10 5 BDBERN O=CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000045236847 384384241 /nfs/dbraw/zinc/38/42/41/384384241.db2.gz DRUCGHHPLLIOIL-UHFFFAOYSA-N 0 0 223.213 1.773 10 5 BDBERN Cc1cc(CO)c(OC(F)F)c([N+](=O)[O-])c1 ZINC000575666592 384439365 /nfs/dbraw/zinc/43/93/65/384439365.db2.gz JSIROPZUNWMQSC-UHFFFAOYSA-N 0 0 233.170 1.997 10 5 BDBERN CCOc1cc(F)cc([N+](=O)[O-])c1CO ZINC000575697768 384684194 /nfs/dbraw/zinc/68/41/94/384684194.db2.gz KXXHBFNIUYUYHH-UHFFFAOYSA-N 0 0 215.180 1.625 10 5 BDBERN COC[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000103360614 384765297 /nfs/dbraw/zinc/76/52/97/384765297.db2.gz WECQNWFRGAEQQS-MRVPVSSYSA-N 0 0 238.243 1.816 10 5 BDBERN CCc1nnc(Cc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000072236665 384841220 /nfs/dbraw/zinc/84/12/20/384841220.db2.gz IKJLLVVSOTVFJB-UHFFFAOYSA-N 0 0 232.243 1.866 10 5 BDBERN O=[N+]([O-])c1cnc2c(c1)CN([C@@H]1CCOC1)CC2 ZINC000408065064 385550716 /nfs/dbraw/zinc/55/07/16/385550716.db2.gz XNUVOIATGHRYRN-SNVBAGLBSA-N 0 0 249.270 1.137 10 5 BDBERN O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=N2 ZINC000584659767 385758537 /nfs/dbraw/zinc/75/85/37/385758537.db2.gz VHVSVBBLAUKQSE-UHFFFAOYSA-N 0 0 213.174 1.381 10 5 BDBERN COC(=O)c1cc([N+](=O)[O-])cc(N)c1C ZINC000014985030 386033154 /nfs/dbraw/zinc/03/31/54/386033154.db2.gz BFLLYARQPPIGME-UHFFFAOYSA-N 0 0 210.189 1.272 10 5 BDBERN CN(c1c([N+](=O)[O-])ncn1C)[C@@H]1CC1(C)C ZINC000408353723 386197342 /nfs/dbraw/zinc/19/73/42/386197342.db2.gz DFALXFCLEGRAIM-SSDOTTSWSA-N 0 0 224.264 1.563 10 5 BDBERN C[C@H]1O[C@]2(CS1)C[N+]1([O-])CCC2CC1 ZINC000575338541 386686506 /nfs/dbraw/zinc/68/65/06/386686506.db2.gz IPNRDUUDNGJPCH-XEAZBWPWSA-N 0 0 216.326 1.464 10 5 BDBERN O=[N+]([O-])c1c(CO)cc(F)cc1OC(F)F ZINC000575661329 387059582 /nfs/dbraw/zinc/05/95/82/387059582.db2.gz LSNAMXWULXHPRV-UHFFFAOYSA-N 0 0 237.133 1.828 10 5 BDBERN COc1ccc(CO)c([N+](=O)[O-])c1OC(F)F ZINC000575664792 387312311 /nfs/dbraw/zinc/31/23/11/387312311.db2.gz LBPLVNVKOUGCHA-UHFFFAOYSA-N 0 0 249.169 1.697 10 5 BDBERN O=[N+]([O-])c1nc(C(F)(F)F)n2ccncc12 ZINC000089195509 387257364 /nfs/dbraw/zinc/25/73/64/387257364.db2.gz MJZZVQMGQZJXJT-UHFFFAOYSA-N 0 0 232.121 1.656 10 5 BDBERN Cc1c(CO)c(OC(F)F)ccc1[N+](=O)[O-] ZINC000575667408 387317499 /nfs/dbraw/zinc/31/74/99/387317499.db2.gz MWGAYVZNAXKQSV-UHFFFAOYSA-N 0 0 233.170 1.997 10 5 BDBERN Cc1cc([N+](=O)[O-])c(C(N)=O)cc1OC(F)F ZINC000575668342 387325266 /nfs/dbraw/zinc/32/52/66/387325266.db2.gz VGUGIAGDIVOXLZ-UHFFFAOYSA-N 0 0 246.169 1.604 10 5 BDBERN CC(=O)c1c(OC(F)F)cc(N)cc1[N+](=O)[O-] ZINC000575718150 387424136 /nfs/dbraw/zinc/42/41/36/387424136.db2.gz ZGVMBXFFCDYRBO-UHFFFAOYSA-N 0 0 246.169 1.981 10 5 BDBERN COC(=O)Cc1c(F)cc([N+](=O)[O-])cc1OC ZINC000575714999 387428682 /nfs/dbraw/zinc/42/86/82/387428682.db2.gz PRBFKDHLBGZJTR-UHFFFAOYSA-N 0 0 243.190 1.458 10 5 BDBERN CCOC(=O)Cc1cc([N+](=O)[O-])c(N)cc1F ZINC000575724434 387438305 /nfs/dbraw/zinc/43/83/05/387438305.db2.gz HDMWVEJYNRJDRX-UHFFFAOYSA-N 0 0 242.206 1.422 10 5 BDBERN COc1c(Br)cc(N)cc1[N+](=O)[O-] ZINC000575720686 387443523 /nfs/dbraw/zinc/44/35/23/387443523.db2.gz PODMNAKQSSZXKX-UHFFFAOYSA-N 0 0 247.048 1.948 10 5 BDBERN Nc1cc([N+](=O)[O-])c(OC(F)F)cc1O ZINC000575722744 387446128 /nfs/dbraw/zinc/44/61/28/387446128.db2.gz FRGAMYUWBBQBSO-UHFFFAOYSA-N 0 0 220.131 1.484 10 5 BDBERN Nc1c(O)c([N+](=O)[O-])ccc1OC(F)F ZINC000575723787 387447885 /nfs/dbraw/zinc/44/78/85/387447885.db2.gz XCISLFXDXXIOST-UHFFFAOYSA-N 0 0 220.131 1.484 10 5 BDBERN CCOC(=O)c1c(C)cc(N)cc1[N+](=O)[O-] ZINC000575725558 387458647 /nfs/dbraw/zinc/45/86/47/387458647.db2.gz GJCWYHKWHRACFK-UHFFFAOYSA-N 0 0 224.216 1.662 10 5 BDBERN CCOc1cc(CO)c(F)c([N+](=O)[O-])c1 ZINC000575697877 387392529 /nfs/dbraw/zinc/39/25/29/387392529.db2.gz QIVHUHYJVQYOPI-UHFFFAOYSA-N 0 0 215.180 1.625 10 5 BDBERN CCOc1cc(OC)cc([N+](=O)[O-])c1C(N)=O ZINC000575698335 387394201 /nfs/dbraw/zinc/39/42/01/387394201.db2.gz LGNILGAERPNABO-UHFFFAOYSA-N 0 0 240.215 1.101 10 5 BDBERN CCOc1cc([N+](=O)[O-])c(OC)cc1C(N)=O ZINC000575698576 387395783 /nfs/dbraw/zinc/39/57/83/387395783.db2.gz YQHLPFGQXLXCEI-UHFFFAOYSA-N 0 0 240.215 1.101 10 5 BDBERN COC(=O)c1ccc(N)c(Cl)c1[N+](=O)[O-] ZINC000575725032 387460594 /nfs/dbraw/zinc/46/05/94/387460594.db2.gz FQIJFHZUHVZGKX-UHFFFAOYSA-N 0 0 230.607 1.617 10 5 BDBERN CCOC(=O)c1c(F)ccc([N+](=O)[O-])c1OC ZINC000575701794 387405654 /nfs/dbraw/zinc/40/56/54/387405654.db2.gz IRFGLGFTRDKSHQ-UHFFFAOYSA-N 0 0 243.190 1.919 10 5 BDBERN CSc1ccc(F)c([N+](=O)[O-])c1CO ZINC000575709233 387413949 /nfs/dbraw/zinc/41/39/49/387413949.db2.gz JXTUVWQAGXVIKB-UHFFFAOYSA-N 0 0 217.221 1.948 10 5 BDBERN CSc1ccc([N+](=O)[O-])c(CO)c1F ZINC000575710181 387415580 /nfs/dbraw/zinc/41/55/80/387415580.db2.gz QPHZFSQDAUHGQA-UHFFFAOYSA-N 0 0 217.221 1.948 10 5 BDBERN COC(=O)c1c(O)cc([N+](=O)[O-])cc1F ZINC000575713931 387416177 /nfs/dbraw/zinc/41/61/77/387416177.db2.gz LNQKGABRFGAMSN-UHFFFAOYSA-N 0 0 215.136 1.226 10 5 BDBERN CCOC(=O)Cc1c(N)c(C)ccc1[N+](=O)[O-] ZINC000575727635 387463259 /nfs/dbraw/zinc/46/32/59/387463259.db2.gz XZMISOIFEWNTSY-UHFFFAOYSA-N 0 0 238.243 1.591 10 5 BDBERN CCOC(=O)c1c(C)ccc(N)c1[N+](=O)[O-] ZINC000575727730 387465614 /nfs/dbraw/zinc/46/56/14/387465614.db2.gz ZZZVHSOVZWMDSL-UHFFFAOYSA-N 0 0 224.216 1.662 10 5 BDBERN COC(=O)Cc1c(Cl)cc(N)cc1[N+](=O)[O-] ZINC000575728743 387467475 /nfs/dbraw/zinc/46/74/75/387467475.db2.gz HIUZGRQEMXBLPB-UHFFFAOYSA-N 0 0 244.634 1.546 10 5 BDBERN COC(=O)Cc1cc(N)c([N+](=O)[O-])c(Cl)c1 ZINC000575729876 387467721 /nfs/dbraw/zinc/46/77/21/387467721.db2.gz ODQWMUQIFKWCQS-UHFFFAOYSA-N 0 0 244.634 1.546 10 5 BDBERN COC(=O)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000238359383 387913358 /nfs/dbraw/zinc/91/33/58/387913358.db2.gz LDIMWIHRCQNRAT-UHFFFAOYSA-N 0 0 216.580 1.430 10 5 BDBERN Nc1ncc([N+](=O)[O-])cc1OC(F)(F)F ZINC000238694288 387930554 /nfs/dbraw/zinc/93/05/54/387930554.db2.gz QNLJPVMZAOXOOV-UHFFFAOYSA-N 0 0 223.110 1.471 10 5 BDBERN Cn1nc2c3ccc([N+](=O)[O-])cc3[nH]cc-2c1=O ZINC000053994956 387977052 /nfs/dbraw/zinc/97/70/52/387977052.db2.gz LTBWWEGPMHPYGD-UHFFFAOYSA-N 0 0 244.210 1.323 10 5 BDBERN O=[N+]([O-])c1ccc2c(c1)OC[C@@]1(CO1)CS2 ZINC000238852838 388259382 /nfs/dbraw/zinc/25/93/82/388259382.db2.gz HHWSTWVTDOMVGS-SNVBAGLBSA-N 0 0 239.252 1.848 10 5 BDBERN C[C@@H]1C[C@@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000171062689 388400927 /nfs/dbraw/zinc/40/09/27/388400927.db2.gz IJVDJUUGNZGKEX-APPZFPTMSA-N 0 0 220.228 1.733 10 5 BDBERN COC(=O)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000038418532 388582178 /nfs/dbraw/zinc/58/21/78/388582178.db2.gz GEFYSMKUMUGKKM-UHFFFAOYSA-N 0 0 248.194 1.432 10 5 BDBERN O=[N+]([O-])c1c[nH]c(-c2cccc(O)c2)n1 ZINC000521401300 388672504 /nfs/dbraw/zinc/67/25/04/388672504.db2.gz WVBZQNHDXCTRCH-UHFFFAOYSA-N 0 0 205.173 1.691 10 5 BDBERN C[C@@H]1NC(=O)CC[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000281591567 388805385 /nfs/dbraw/zinc/80/53/85/388805385.db2.gz HCSMUIGVWRWKEO-GZMMTYOYSA-N 0 0 249.270 1.674 10 5 BDBERN O=Cc1cc2c(cccc2[N+](=O)[O-])cn1 ZINC000095882089 388789688 /nfs/dbraw/zinc/78/96/88/388789688.db2.gz ZFTZVNUNAMKSCV-UHFFFAOYSA-N 0 0 202.169 1.956 10 5 BDBERN C[C@@H]1CNC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000054334965 132364060 /nfs/dbraw/zinc/36/40/60/132364060.db2.gz OUEJDSHMTPSDDZ-SSDOTTSWSA-N 0 0 249.226 1.287 10 5 BDBERN O=[N+]([O-])c1ccc(F)cc1N[C@@H]1CCOC1 ZINC000087788325 135513344 /nfs/dbraw/zinc/51/33/44/135513344.db2.gz NMFPFGFEHUQEPV-MRVPVSSYSA-N 0 0 226.207 1.935 10 5 BDBERN CCOC(=O)c1c(N)c(OC)ccc1[N+](=O)[O-] ZINC000575725772 398069168 /nfs/dbraw/zinc/06/91/68/398069168.db2.gz VPMUMNORNWAZRZ-UHFFFAOYSA-N 0 0 240.215 1.362 10 5 BDBERN CCOC(=O)c1cc([N+](=O)[O-])cc(N)c1CC ZINC000575724631 398069769 /nfs/dbraw/zinc/06/97/69/398069769.db2.gz MSFDTCGIQVBSFS-UHFFFAOYSA-N 0 0 238.243 1.916 10 5 BDBERN Cn1ncc([N+](=O)[O-])c1C1=CC[C@@H]2O[C@H]2CC1 ZINC000584645404 411289675 /nfs/dbraw/zinc/28/96/75/411289675.db2.gz TTXBWRLZILJHID-UWVGGRQHSA-N 0 0 235.243 1.663 10 5 BDBERN CCNCc1noc(-c2ccc([N+](=O)[O-])o2)n1 ZINC000051860757 170131380 /nfs/dbraw/zinc/13/13/80/170131380.db2.gz MXPSCELTBZDXHU-UHFFFAOYSA-N 0 0 238.203 1.347 10 5 BDBERN CNc1ccc(CN2CCCC2=O)cc1[N+](=O)[O-] ZINC000050818380 173479000 /nfs/dbraw/zinc/47/90/00/173479000.db2.gz DGLRBDFJJWXVGY-UHFFFAOYSA-N 0 0 249.270 1.759 10 5 BDBERN COCCN1C(=O)Cc2cc([N+](=O)[O-])ccc21 ZINC000261507374 174303730 /nfs/dbraw/zinc/30/37/30/174303730.db2.gz HVWDXMAQMLXPMB-UHFFFAOYSA-N 0 0 236.227 1.130 10 5 BDBERN COCCNc1nc(Cl)ncc1[N+](=O)[O-] ZINC000004243362 174341988 /nfs/dbraw/zinc/34/19/88/174341988.db2.gz FLHORZMVHVIQQQ-UHFFFAOYSA-N 0 0 232.627 1.097 10 5 BDBERN COc1ccc(CC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000043656737 175092919 /nfs/dbraw/zinc/09/29/19/175092919.db2.gz JVZNIKTXZICOTC-MRVPVSSYSA-N 0 0 225.244 1.917 10 5 BDBERN C[C@H]1C[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000052288543 177347735 /nfs/dbraw/zinc/34/77/35/177347735.db2.gz ODBXMPVAKUWULX-RCOVLWMOSA-N 0 0 238.218 1.872 10 5 BDBERN C[C@H]1C[C@@H]1Nc1cc(CO)ccc1[N+](=O)[O-] ZINC000302039887 177350695 /nfs/dbraw/zinc/35/06/95/177350695.db2.gz NGTWCBCBPONJBH-CBAPKCEASA-N 0 0 222.244 1.907 10 5 BDBERN C[C@H]1C[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000075530589 177384689 /nfs/dbraw/zinc/38/46/89/177384689.db2.gz SRQSSSAAJVWHCE-NTSWFWBYSA-N 0 0 226.257 1.795 10 5 BDBERN Cc1c(C(=O)Nc2ncc[nH]2)cccc1[N+](=O)[O-] ZINC000070155584 177564023 /nfs/dbraw/zinc/56/40/23/177564023.db2.gz DPSSOVBLKOSJPP-UHFFFAOYSA-N 0 0 246.226 1.301 10 5 BDBERN Cc1ncc([N+](=O)[O-])n1-c1ccc([N+](=O)[O-])cc1 ZINC000503905210 226336843 /nfs/dbraw/zinc/33/68/43/226336843.db2.gz KJXIEZBVGHAEMK-UHFFFAOYSA-N 0 0 248.198 1.997 10 5 BDBERN CS(C)(=O)=Nc1ccc([N+](=O)[O-])cn1 ZINC000536950539 323954609 /nfs/dbraw/zinc/95/46/09/323954609.db2.gz IZXFGPKXKHNXKP-UHFFFAOYSA-N 0 0 215.234 1.349 10 5 BDBERN O=C1COc2cc([N+](=O)[O-])ccc2SC1 ZINC000238853042 527013906 /nfs/dbraw/zinc/01/39/06/527013906.db2.gz IAPVGYGZEQYUBR-UHFFFAOYSA-N 0 0 225.225 1.648 10 5 BDBERN O=[N+]([O-])c1c(F)cccc1NCC1CC(O)C1 ZINC000091524864 632049935 /nfs/dbraw/zinc/04/99/35/632049935.db2.gz OIOFZNVWIJMHSN-UHFFFAOYSA-N 0 0 240.234 1.917 10 5 BDBERN C[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])[C@H](C)O ZINC000309896813 633912798 /nfs/dbraw/zinc/91/27/98/633912798.db2.gz GCKMWFBAMZGJPQ-RITPCOANSA-N 0 0 245.666 1.824 10 5 BDBERN C[C@@H](O)[C@@H](C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000309914911 633935679 /nfs/dbraw/zinc/93/56/79/633935679.db2.gz ORSMPQAZTDHZBI-RNFRBKRXSA-N 0 0 228.223 1.915 10 5 BDBERN Cc1cnc(N[C@@H](C)[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000336782666 635281212 /nfs/dbraw/zinc/28/12/12/635281212.db2.gz YKBSIHOKEDUJPX-JGVFFNPUSA-N 0 0 225.248 1.479 10 5 BDBERN C[C@@H](O)[C@H](C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000346362460 637091235 /nfs/dbraw/zinc/09/12/35/637091235.db2.gz BQZQTPBNZBLFKT-NTSWFWBYSA-N 0 0 244.272 1.155 10 5 BDBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@H](C)O ZINC000346516064 637162017 /nfs/dbraw/zinc/16/20/17/637162017.db2.gz QFNDPLUTDXPMKH-RITPCOANSA-N 0 0 244.272 1.155 10 5 BDBERN Cc1cc(N)nn1-c1ccc([N+](=O)[O-])cc1 ZINC000054404734 178110943 /nfs/dbraw/zinc/11/09/43/178110943.db2.gz OGVIUDSMTSOFFU-UHFFFAOYSA-N 0 0 218.216 1.671 10 5 BDBERN Cc1cc([N+](=O)[O-])c(N)c([N+](=O)[O-])c1C ZINC000026897403 178269860 /nfs/dbraw/zinc/26/98/60/178269860.db2.gz MHTNLJYRURGLAC-UHFFFAOYSA-N 0 0 211.177 1.702 10 5 BDBERN Cc1ccc(-c2nnc(CN)o2)cc1[N+](=O)[O-] ZINC000050283421 178340422 /nfs/dbraw/zinc/34/04/22/178340422.db2.gz FLMCURLGXRCBQP-UHFFFAOYSA-N 0 0 234.215 1.412 10 5 BDBERN Cc1cc(N)nn1-c1ccc(C)cc1[N+](=O)[O-] ZINC000067799792 178348208 /nfs/dbraw/zinc/34/82/08/178348208.db2.gz GHIFZJZZTNTUNQ-UHFFFAOYSA-N 0 0 232.243 1.980 10 5 BDBERN COc1cc2c(cc1[N+](=O)[O-])NCCC2 ZINC000118292240 342737699 /nfs/dbraw/zinc/73/76/99/342737699.db2.gz VPMMUPQGJLEFIC-UHFFFAOYSA-N 0 0 208.217 1.962 10 5 BDBERN Cc1ccc(C(C[N+](=O)[O-])C[N+](=O)[O-])cc1 ZINC000146243735 342768190 /nfs/dbraw/zinc/76/81/90/342768190.db2.gz ALDHAWHZLJVNGD-UHFFFAOYSA-N 0 0 224.216 1.632 10 5 BDBERN O=[N+]([O-])c1ccc(F)cc1N[C@H]1CCOC1 ZINC000087788326 398305665 /nfs/dbraw/zinc/30/56/65/398305665.db2.gz NMFPFGFEHUQEPV-QMMMGPOBSA-N 0 0 226.207 1.935 10 5 BDBERN CN(CC1CC(O)C1)c1sccc1[N+](=O)[O-] ZINC000302689263 398320053 /nfs/dbraw/zinc/32/00/53/398320053.db2.gz UTRICVIKRXJXBO-UHFFFAOYSA-N 0 0 242.300 1.863 10 5 BDBERN CCCS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000117206091 342951000 /nfs/dbraw/zinc/95/10/00/342951000.db2.gz NVPMHFFSRKQDNF-UHFFFAOYSA-N 0 0 243.284 1.920 10 5 BDBERN O=C([O-])[C@@H]1CC[C@H](c2ccc([N+](=O)[O-])cc2)[NH2+]1 ZINC000584880462 343081317 /nfs/dbraw/zinc/08/13/17/343081317.db2.gz CMDNFCORZWYKCR-ZJUUUORDSA-N 0 0 236.227 1.473 10 5 BDBERN COC(=O)[C@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000035661044 343301858 /nfs/dbraw/zinc/30/18/58/343301858.db2.gz IVJIPLQGUWDKSX-ZETCQYMHSA-N 0 0 224.216 1.568 10 5 BDBERN C=CC(=O)OCc1ccccc1[N+](=O)[O-] ZINC000033506732 187256652 /nfs/dbraw/zinc/25/66/52/187256652.db2.gz CVTDDZYPSGYVNN-UHFFFAOYSA-N 0 0 207.185 1.824 10 5 BDBERN CC(C)(Cc1cnc2ccccn12)[N+](=O)[O-] ZINC000034328829 187257542 /nfs/dbraw/zinc/25/75/42/187257542.db2.gz JKDKTULUMZAUSA-UHFFFAOYSA-N 0 0 219.244 1.932 10 5 BDBERN CC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000037977460 187262432 /nfs/dbraw/zinc/26/24/32/187262432.db2.gz KQPLEZGWARVSJD-UHFFFAOYSA-N 0 0 209.201 1.953 10 5 BDBERN COc1cncc([N+](=O)[O-])c1OC(F)(F)F ZINC000309526221 343686831 /nfs/dbraw/zinc/68/68/31/343686831.db2.gz ZWXYHEHNRBWEDB-UHFFFAOYSA-N 0 0 238.121 1.897 10 5 BDBERN C[C@@H]1OCC[C@@H]1Nc1cccnc1[N+](=O)[O-] ZINC000159007047 346960595 /nfs/dbraw/zinc/96/05/95/346960595.db2.gz LHWRWFCLYQLAQO-YUMQZZPRSA-N 0 0 223.232 1.579 10 5 BDBERN O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@@H]2O)nc1 ZINC000077994036 344087598 /nfs/dbraw/zinc/08/75/98/344087598.db2.gz CASOTEOVFLXBJW-BDAKNGLRSA-N 0 0 223.232 1.315 10 5 BDBERN O=[N+]([O-])c1cnc(Cl)nc1NCC(F)F ZINC000236122614 344300066 /nfs/dbraw/zinc/30/00/66/344300066.db2.gz OHXZHBLWEBFPMS-UHFFFAOYSA-N 0 0 238.581 1.715 10 5 BDBERN CCC(=O)N(C)c1cc([N+](=O)[O-])ccc1OC ZINC000115339593 344707711 /nfs/dbraw/zinc/70/77/11/344707711.db2.gz ITKRJIODNVEHKI-UHFFFAOYSA-N 0 0 238.243 1.976 10 5 BDBERN Cc1ccnc(NCc2ncnn2C)c1[N+](=O)[O-] ZINC000078677184 344896267 /nfs/dbraw/zinc/89/62/67/344896267.db2.gz FMHZHMRZZCCESA-UHFFFAOYSA-N 0 0 248.246 1.039 10 5 BDBERN CC(=O)N1CCc2cc([N+](=O)[O-])c(N)cc2C1 ZINC000039120995 344929403 /nfs/dbraw/zinc/92/94/03/344929403.db2.gz GCWPKONQAKRVJD-UHFFFAOYSA-N 0 0 235.243 1.082 10 5 BDBERN Nc1cc(OC(F)F)ccc1[N+](=O)[O-] ZINC000238705927 345116038 /nfs/dbraw/zinc/11/60/38/345116038.db2.gz HLQZGGIQJOTMSW-UHFFFAOYSA-N 0 0 204.132 1.778 10 5 BDBERN Cn1cnc([N+](=O)[O-])c1CN1CCC12CCC2 ZINC000081515777 345482638 /nfs/dbraw/zinc/48/26/38/345482638.db2.gz KCHRPRMMNSHIFW-UHFFFAOYSA-N 0 0 236.275 1.457 10 5 BDBERN CC(=O)OCc1nccc([N+](=O)[O-])c1C ZINC000035076488 345848973 /nfs/dbraw/zinc/84/89/73/345848973.db2.gz WYQDBAPAUWMIDI-UHFFFAOYSA-N 0 0 210.189 1.361 10 5 BDBERN CC(=O)c1c[nH]c2ncc([N+](=O)[O-])cc12 ZINC000095919875 346077533 /nfs/dbraw/zinc/07/75/33/346077533.db2.gz WEJRODUMUMRYPL-UHFFFAOYSA-N 0 0 205.173 1.674 10 5 BDBERN C[C@H]1C[C@H]1Nc1ncc(F)cc1[N+](=O)[O-] ZINC000401088020 346166008 /nfs/dbraw/zinc/16/60/08/346166008.db2.gz COTXFKDIKOOWLC-CAHLUQPWSA-N 0 0 211.196 1.949 10 5 BDBERN COC(=O)c1cc(N)c([N+](=O)[O-])cc1Cl ZINC000034186559 346218015 /nfs/dbraw/zinc/21/80/15/346218015.db2.gz ODWPCKWQCXAPAV-UHFFFAOYSA-N 0 0 230.607 1.617 10 5 BDBERN Cc1cccc([N+](=O)[O-])c1NCc1ncnn1C ZINC000301416492 179206280 /nfs/dbraw/zinc/20/62/80/179206280.db2.gz CCUZSYJNLARHSF-UHFFFAOYSA-N 0 0 247.258 1.644 10 5 BDBERN O=[N+]([O-])c1ccc(NC2CC(CO)C2)c(F)c1 ZINC000596565484 348580436 /nfs/dbraw/zinc/58/04/36/348580436.db2.gz CITRBBFDINBUMD-UHFFFAOYSA-N 0 0 240.234 1.917 10 5 BDBERN C[C@@H]1C[C@@H](O)CN(c2ccsc2[N+](=O)[O-])C1 ZINC000401950237 348883008 /nfs/dbraw/zinc/88/30/08/348883008.db2.gz LCAWYELLAMKKTG-HTQZYQBOSA-N 0 0 242.300 1.863 10 5 BDBERN Cc1cc(N2CC=CCN2)ncc1[N+](=O)[O-] ZINC000599111442 349099198 /nfs/dbraw/zinc/09/91/98/349099198.db2.gz DFATUQPWJSNALN-UHFFFAOYSA-N 0 0 220.232 1.179 10 5 BDBERN Cn1ncc([N+](=O)[O-])c1[C@@H]1CCC=CCO1 ZINC000216873768 350020760 /nfs/dbraw/zinc/02/07/60/350020760.db2.gz FMDVWIMPSIIPCZ-VIFPVBQESA-N 0 0 223.232 1.736 10 5 BDBERN Cc1nn(-c2ccncc2)c(N)c1[N+](=O)[O-] ZINC000049853249 180331378 /nfs/dbraw/zinc/33/13/78/180331378.db2.gz UKLOOBMIXYZYLH-UHFFFAOYSA-N 0 0 219.204 1.066 10 5 BDBERN Cc1nn(C)c(N[C@@H]2CCO[C@@H]2C)c1[N+](=O)[O-] ZINC000150026391 180360832 /nfs/dbraw/zinc/36/08/32/180360832.db2.gz AOXYNHHXXWSSAW-HTQZYQBOSA-N 0 0 240.263 1.226 10 5 BDBERN Cc1nn([C@@H]2CCCSC2)c(N)c1[N+](=O)[O-] ZINC000061589792 180391878 /nfs/dbraw/zinc/39/18/78/180391878.db2.gz JLFXNMVBGLGWPL-SSDOTTSWSA-N 0 0 242.304 1.750 10 5 BDBERN O=[N+]([O-])c1nc(Br)ccc1F ZINC000306823407 351130754 /nfs/dbraw/zinc/13/07/54/351130754.db2.gz PWPTUDYPCKVQJS-UHFFFAOYSA-N 0 0 220.985 1.891 10 5 BDBERN Cn1cnc([N+](=O)[O-])c1Oc1cccc(N)c1 ZINC000038056469 180773789 /nfs/dbraw/zinc/77/37/89/180773789.db2.gz CKIUCMZNQPJPLI-UHFFFAOYSA-N 0 0 234.215 1.703 10 5 BDBERN Nc1cnc([N+](=O)[O-])cc1Br ZINC000307653416 352741776 /nfs/dbraw/zinc/74/17/76/352741776.db2.gz PPQJIWFOTRXRHQ-UHFFFAOYSA-N 0 0 218.010 1.335 10 5 BDBERN CC(=O)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000095933579 188015881 /nfs/dbraw/zinc/01/58/81/188015881.db2.gz NRWMSJRLIZWNTJ-UHFFFAOYSA-N 0 0 210.145 1.706 10 5 BDBERN Cn1ncc(N)c1-c1cccc([N+](=O)[O-])c1 ZINC000675069485 538498119 /nfs/dbraw/zinc/49/81/19/538498119.db2.gz HRDYUFNYYJGUPM-UHFFFAOYSA-N 0 0 218.216 1.578 10 5 BDBERN C[C@@H]1CC(=O)N[C@@H](c2ccccc2)[C@H]1[N+](=O)[O-] ZINC000102218457 357260995 /nfs/dbraw/zinc/26/09/95/357260995.db2.gz JOMJJSQKSCKHRY-ZHAHWJHGSA-N 0 0 234.255 1.529 10 5 BDBERN C[C@H](O)CNc1nc(Cl)ccc1[N+](=O)[O-] ZINC000035607056 358004956 /nfs/dbraw/zinc/00/49/56/358004956.db2.gz GMWKUHSNBTVOGJ-YFKPBYRVSA-N 0 0 231.639 1.436 10 5 BDBERN CCC1([N+](=O)[O-])C=CC(C)(OC(C)=O)C=C1 ZINC000584657542 358120617 /nfs/dbraw/zinc/12/06/17/358120617.db2.gz ZXILJGOYDZCATK-UHFFFAOYSA-N 0 0 225.244 1.860 10 5 BDBERN Cc1cc([N+](=O)[O-])cn2c1nnc2C(F)F ZINC000584614304 358278795 /nfs/dbraw/zinc/27/87/95/358278795.db2.gz GEZOOUDDSNUVBX-UHFFFAOYSA-N 0 0 228.158 1.884 10 5 BDBERN CCOC(=O)Cc1ncc(OC)cc1[N+](=O)[O-] ZINC000584628862 358298448 /nfs/dbraw/zinc/29/84/48/358298448.db2.gz WVMFVEKPZXZUHS-UHFFFAOYSA-N 0 0 240.215 1.104 10 5 BDBERN C[C@H]1COC(c2ccc([N+](=O)[O-])cc2)=N1 ZINC000584636157 358320486 /nfs/dbraw/zinc/32/04/86/358320486.db2.gz GVWMNHLTDRCGPQ-ZETCQYMHSA-N 0 0 206.201 1.760 10 5 BDBERN CNc1c(C(=O)N[C@H]2C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000130797290 358644456 /nfs/dbraw/zinc/64/44/56/358644456.db2.gz ZAVDKHVBTUXYQS-CBAPKCEASA-N 0 0 249.270 1.775 10 5 BDBERN O=[N+]([O-])c1ccccc1O[C@@H]1CCC[C@H]1O ZINC000037695764 364526493 /nfs/dbraw/zinc/52/64/93/364526493.db2.gz RTFUMNDLAYTVGQ-MWLCHTKSSA-N 0 0 223.228 1.887 10 5 BDBERN CCOC(=O)c1cc(O)c(N)cc1[N+](=O)[O-] ZINC000223958102 368366137 /nfs/dbraw/zinc/36/61/37/368366137.db2.gz VQWVTUDKHQZFNL-UHFFFAOYSA-N 0 0 226.188 1.059 10 5 BDBERN C[C@H]1OCC[C@H]1Nc1ncc(F)cc1[N+](=O)[O-] ZINC000401213890 369358505 /nfs/dbraw/zinc/35/85/05/369358505.db2.gz RYYZHKIZUNOUCI-HTRCEHHLSA-N 0 0 241.222 1.718 10 5 BDBERN CNc1ccc([N+](=O)[O-])c(N)c1C(=O)OC ZINC000115164471 370628993 /nfs/dbraw/zinc/62/89/93/370628993.db2.gz ZCMRRSXFOWQBFP-UHFFFAOYSA-N 0 0 225.204 1.005 10 5 BDBERN Cc1cc(NC(=O)C2CC2)ncc1[N+](=O)[O-] ZINC000096551904 371503178 /nfs/dbraw/zinc/50/31/78/371503178.db2.gz VULSLDQYRMDSSU-UHFFFAOYSA-N 0 0 221.216 1.647 10 5 BDBERN O=[N+]([O-])c1sccc1N1CC=CCN1 ZINC000601202253 371736893 /nfs/dbraw/zinc/73/68/93/371736893.db2.gz ZRGJCFRCZXQBIU-UHFFFAOYSA-N 0 0 211.246 1.537 10 5 BDBERN Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCC[C@H](O)C1 ZINC000603865802 371935778 /nfs/dbraw/zinc/93/57/78/371935778.db2.gz SDCACUOWKXYVSM-SFYZADRCSA-N 0 0 240.263 1.044 10 5 BDBERN CC(C)Sc1nc(N)ncc1[N+](=O)[O-] ZINC000232680071 372153094 /nfs/dbraw/zinc/15/30/94/372153094.db2.gz HEHDJHFLZIMTDQ-UHFFFAOYSA-N 0 0 214.250 1.468 10 5 BDBERN O=C1COc2cc([N+](=O)[O-])c(F)cc2N1 ZINC000074942311 182768755 /nfs/dbraw/zinc/76/87/55/182768755.db2.gz STDKYNXGCODEDD-UHFFFAOYSA-N 0 0 212.136 1.065 10 5 BDBERN O=[N+]([O-])c1cc([N+](=O)[O-])c(OC2CC2)cn1 ZINC000095735881 182925090 /nfs/dbraw/zinc/92/50/90/182925090.db2.gz PDBGBQLRCODXGE-UHFFFAOYSA-N 0 0 225.160 1.439 10 5 BDBERN O=[N+]([O-])c1ccc(F)cc1NC[C@H](O)C1CC1 ZINC000071306249 182933977 /nfs/dbraw/zinc/93/39/77/182933977.db2.gz XSUAMPQYRPFBSU-NSHDSACASA-N 0 0 240.234 1.917 10 5 BDBERN O=c1[nH]c(Cl)nc2ccc([N+](=O)[O-])cc12 ZINC000039345960 182942848 /nfs/dbraw/zinc/94/28/48/182942848.db2.gz MLJRXYMXBVELPQ-UHFFFAOYSA-N 0 0 225.591 1.897 10 5 BDBERN O=[N+]([O-])c1ccccc1[C@H](O)C(F)F ZINC000039055290 384100744 /nfs/dbraw/zinc/10/07/44/384100744.db2.gz DNGHTKXRXKQDHV-ZETCQYMHSA-N 0 0 203.144 1.893 10 5 BDBERN O=[N+]([O-])c1ccc(-c2ncon2)cc1F ZINC000096102604 384209544 /nfs/dbraw/zinc/20/95/44/384209544.db2.gz ZBRCUABWZOSNOY-UHFFFAOYSA-N 0 0 209.136 1.784 10 5 BDBERN Nc1cc(O)cc([N+](=O)[O-])c1OC(F)(F)F ZINC000575728275 384917909 /nfs/dbraw/zinc/91/79/09/384917909.db2.gz MIDRCEXJYIUIBY-UHFFFAOYSA-N 0 0 238.121 1.781 10 5 BDBERN CC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000299889010 385554687 /nfs/dbraw/zinc/55/46/87/385554687.db2.gz CANYEWXOTKGQOW-UHFFFAOYSA-N 0 0 205.173 1.674 10 5 BDBERN 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Cc1cc([N+](=O)[O-])c(C=O)cc1[N+](=O)[O-] ZINC000575601874 387368881 /nfs/dbraw/zinc/36/88/81/387368881.db2.gz PWMZRTDULOALCO-UHFFFAOYSA-N 0 0 210.145 1.624 10 5 BDBERN COc1c([N+](=O)[O-])ccc(C)c1C(N)=O ZINC000575674488 387343837 /nfs/dbraw/zinc/34/38/37/387343837.db2.gz RBEUVSIEWISWDE-UHFFFAOYSA-N 0 0 210.189 1.011 10 5 BDBERN CN(N)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000575599630 387354029 /nfs/dbraw/zinc/35/40/29/387354029.db2.gz XEGARRIOEGQYPJ-UHFFFAOYSA-N 0 0 201.613 1.558 10 5 BDBERN COC(=O)c1cc(F)c(OC)cc1[N+](=O)[O-] ZINC000575714997 387428934 /nfs/dbraw/zinc/42/89/34/387428934.db2.gz PQIJLZCTXBYJMS-UHFFFAOYSA-N 0 0 229.163 1.529 10 5 BDBERN CC(=O)c1cc([N+](=O)[O-])c(N)cc1OC(F)F ZINC000575717233 387435144 /nfs/dbraw/zinc/43/51/44/387435144.db2.gz NSKURQQVMNPWTG-UHFFFAOYSA-N 0 0 246.169 1.981 10 5 BDBERN COc1ccc(OC(F)F)c(N)c1[N+](=O)[O-] ZINC000575720478 387441119 /nfs/dbraw/zinc/44/11/19/387441119.db2.gz ACWVEZFKTJOPKB-UHFFFAOYSA-N 0 0 234.158 1.787 10 5 BDBERN COc1ccc(N)c([N+](=O)[O-])c1OC(F)F ZINC000575720865 387443632 /nfs/dbraw/zinc/44/36/32/387443632.db2.gz FPTHJCZIMKEELZ-UHFFFAOYSA-N 0 0 234.158 1.787 10 5 BDBERN COc1cc(N)c([N+](=O)[O-])c(OC(F)F)c1 ZINC000575721495 387444637 /nfs/dbraw/zinc/44/46/37/387444637.db2.gz QJIACUYLWNJXCY-UHFFFAOYSA-N 0 0 234.158 1.787 10 5 BDBERN Nc1ccc(O)c([N+](=O)[O-])c1OC(F)F ZINC000575723781 387447357 /nfs/dbraw/zinc/44/73/57/387447357.db2.gz WYKXYDQSZXOJJY-UHFFFAOYSA-N 0 0 220.131 1.484 10 5 BDBERN Nc1ccc(O)c(OC(F)F)c1[N+](=O)[O-] ZINC000575723784 387447776 /nfs/dbraw/zinc/44/77/76/387447776.db2.gz WZPZRUSSZZOHHN-UHFFFAOYSA-N 0 0 220.131 1.484 10 5 BDBERN Nc1c(OC(F)F)cc(O)cc1[N+](=O)[O-] ZINC000575723796 387447996 /nfs/dbraw/zinc/44/79/96/387447996.db2.gz XLTABTMMETXUQY-UHFFFAOYSA-N 0 0 220.131 1.484 10 5 BDBERN CCOc1cc(F)c(CO)cc1[N+](=O)[O-] ZINC000575697886 387392843 /nfs/dbraw/zinc/39/28/43/387392843.db2.gz QUQDWXXGFTVKEA-UHFFFAOYSA-N 0 0 215.180 1.625 10 5 BDBERN CCOc1cc([N+](=O)[O-])cc(OC)c1C(N)=O ZINC000575698154 387393080 /nfs/dbraw/zinc/39/30/80/387393080.db2.gz DWSCLBRHRGJMFO-UHFFFAOYSA-N 0 0 240.215 1.101 10 5 BDBERN CCOc1cc(C=O)c([N+](=O)[O-])c(OC)c1 ZINC000575698515 387394044 /nfs/dbraw/zinc/39/40/44/387394044.db2.gz UWQJBVHGTSVYOD-UHFFFAOYSA-N 0 0 225.200 1.815 10 5 BDBERN CCOc1cc([N+](=O)[O-])cc(CC)c1C(N)=O ZINC000575697162 387398835 /nfs/dbraw/zinc/39/88/35/387398835.db2.gz VRTDVNDYYZBLDH-UHFFFAOYSA-N 0 0 238.243 1.655 10 5 BDBERN CCOc1cc(C(N)=O)c(C)c([N+](=O)[O-])c1 ZINC000575699297 387402105 /nfs/dbraw/zinc/40/21/05/387402105.db2.gz SPYRNRWMGUAQSM-UHFFFAOYSA-N 0 0 224.216 1.401 10 5 BDBERN CSc1c(CO)cc(F)cc1[N+](=O)[O-] ZINC000575710715 387415280 /nfs/dbraw/zinc/41/52/80/387415280.db2.gz USHCTOJJBWXRBV-UHFFFAOYSA-N 0 0 217.221 1.948 10 5 BDBERN COC(=O)c1c(Cl)ccc(N)c1[N+](=O)[O-] ZINC000575727093 387461186 /nfs/dbraw/zinc/46/11/86/387461186.db2.gz UCRHRKQRWSUIRL-UHFFFAOYSA-N 0 0 230.607 1.617 10 5 BDBERN COC(=O)Cc1cc([N+](=O)[O-])cc(Cl)c1N ZINC000575726162 387464188 /nfs/dbraw/zinc/46/41/88/387464188.db2.gz MYUZXYYJXSDJCL-UHFFFAOYSA-N 0 0 244.634 1.546 10 5 BDBERN Nc1cc(O)c(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000575727930 387465910 /nfs/dbraw/zinc/46/59/10/387465910.db2.gz LKSOBAXCKSIAOX-UHFFFAOYSA-N 0 0 238.121 1.781 10 5 BDBERN COC(=O)Cc1cc(N)c(Cl)cc1[N+](=O)[O-] ZINC000575730805 387471896 /nfs/dbraw/zinc/47/18/96/387471896.db2.gz VGTNBWJUPOOMLH-UHFFFAOYSA-N 0 0 244.634 1.546 10 5 BDBERN Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCC[C@H]2C[C@H]21 ZINC000591994424 388145154 /nfs/dbraw/zinc/14/51/54/388145154.db2.gz WNQCUAJZMWMNRG-DJLDLDEBSA-N 0 0 236.275 1.929 10 5 BDBERN O=[N+]([O-])c1cc(CCO)ccc1Cl ZINC000299889181 388344734 /nfs/dbraw/zinc/34/47/34/388344734.db2.gz FQAZFRXURFHAKZ-UHFFFAOYSA-N 0 0 201.609 1.783 10 5 BDBERN Cn1cc([N+](=O)[O-])c(C(=O)OC(C)(C)C)n1 ZINC000299889145 388344766 /nfs/dbraw/zinc/34/47/66/388344766.db2.gz FCFFLWCQYVPSCW-UHFFFAOYSA-N 0 0 227.220 1.284 10 5 BDBERN O=[N+]([O-])c1ccc2nc3ccccn3c2n1 ZINC000077311700 388675544 /nfs/dbraw/zinc/67/55/44/388675544.db2.gz BDEGIVOKOYVTKE-UHFFFAOYSA-N 0 0 214.184 1.791 10 5 in-vitro BDBERN CNNc1cccc(Cl)c1[N+](=O)[O-] ZINC000575453429 388748785 /nfs/dbraw/zinc/74/87/85/388748785.db2.gz AFMZUCOPPXMEBV-UHFFFAOYSA-N 0 0 201.613 1.795 10 5 BDBERN COc1c(N)ccc([N+](=O)[O-])c1OC(F)F ZINC000575721567 398067335 /nfs/dbraw/zinc/06/73/35/398067335.db2.gz SDTRTLNCDCOYIY-UHFFFAOYSA-N 0 0 234.158 1.787 10 5 BDBERN CCC(=O)n1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000005856788 168258282 /nfs/dbraw/zinc/25/82/82/168258282.db2.gz ZRHASIXKFOJEBM-UHFFFAOYSA-N 0 0 236.183 1.553 10 5 BDBERN CCOc1ncnc(NC(C)(C)C)c1[N+](=O)[O-] ZINC000040581824 170604960 /nfs/dbraw/zinc/60/49/60/170604960.db2.gz VVQMVKPWGJMZLE-UHFFFAOYSA-N 0 0 240.263 1.994 10 5 BDBERN CCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N ZINC000090415391 171775666 /nfs/dbraw/zinc/77/56/66/171775666.db2.gz GNFCQROEFMBUQG-UHFFFAOYSA-N 0 0 211.177 1.648 10 5 BDBERN COC[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000103360676 174528866 /nfs/dbraw/zinc/52/88/66/174528866.db2.gz PLXOUKNMNINZCY-QMMMGPOBSA-N 0 0 238.243 1.816 10 5 BDBERN COc1ccc([N+](=O)[O-])cc1OC[C@H]1CO1 ZINC000022173305 175200756 /nfs/dbraw/zinc/20/07/56/175200756.db2.gz OJZUZVVZZONWBK-MRVPVSSYSA-N 0 0 225.200 1.381 10 5 BDBERN CS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000088611735 175438761 /nfs/dbraw/zinc/43/87/61/175438761.db2.gz TYIZMRLEAFVDSG-UHFFFAOYSA-N 0 0 219.193 1.137 10 5 BDBERN C[C@H]1C[C@@H]1NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000170805771 177347199 /nfs/dbraw/zinc/34/71/99/177347199.db2.gz XSEYCVUZJGWLGT-WPRPVWTQSA-N 0 0 249.270 1.802 10 5 BDBERN C[C@H]1C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000075509029 177385068 /nfs/dbraw/zinc/38/50/68/177385068.db2.gz NHOKPVMXPANZSQ-QUBYGPBYSA-N 0 0 238.218 1.872 10 5 BDBERN C[C@H]1CC[C@H](O)CN1c1ncc([N+](=O)[O-])s1 ZINC000399256996 323202208 /nfs/dbraw/zinc/20/22/08/323202208.db2.gz MNDAIHSPMLUJDX-BQBZGAKWSA-N 0 0 243.288 1.401 10 5 BDBERN O=[N+]([O-])c1ccc([C@@H]2CO[C@@H](CO)C2)cc1 ZINC000536957948 323969407 /nfs/dbraw/zinc/96/94/07/323969407.db2.gz SECHSLSZMHKGBX-GXSJLCMTSA-N 0 0 223.228 1.460 10 5 BDBERN CC(=O)[C@@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000111691178 582861061 /nfs/dbraw/zinc/86/10/61/582861061.db2.gz BQEJSRBTSYWUNC-SNVBAGLBSA-N 0 0 249.270 1.795 10 5 BDBERN C[C@H](O)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000346469180 637145417 /nfs/dbraw/zinc/14/54/17/637145417.db2.gz JVDJGWTXERBWNW-YUMQZZPRSA-N 0 0 238.243 1.094 10 5 BDBERN COC1CC(Nc2nccc(C)c2[N+](=O)[O-])C1 ZINC000230595788 641072159 /nfs/dbraw/zinc/07/21/59/641072159.db2.gz JTRCKXFEIOQYSO-UHFFFAOYSA-N 0 0 237.259 1.888 10 5 BDBERN C[C@@H](O)[C@@H](C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000346395058 643559732 /nfs/dbraw/zinc/55/97/32/643559732.db2.gz WXQWQSDPDLGKNR-HTQZYQBOSA-N 0 0 238.243 1.094 10 5 BDBERN C[C@@H](O)[C@H](C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000346395060 643559809 /nfs/dbraw/zinc/55/98/09/643559809.db2.gz WXQWQSDPDLGKNR-JGVFFNPUSA-N 0 0 238.243 1.094 10 5 BDBERN COC(=O)C[C@@H](N)c1ccc([N+](=O)[O-])s1 ZINC000095638238 644762357 /nfs/dbraw/zinc/76/23/57/644762357.db2.gz UYYFLECOTVVDPU-RXMQYKEDSA-N 0 0 230.245 1.219 10 5 BDBERN Cc1cccc([N+](=O)[O-])c1N[C@H]1CNOC1 ZINC000722472658 711758343 /nfs/dbraw/zinc/75/83/43/711758343.db2.gz NMPRNNBUDHSFDX-QMMMGPOBSA-N 0 0 223.232 1.219 10 5 BDBERN C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1cn(C)nn1 ZINC000715875472 712538636 /nfs/dbraw/zinc/53/86/36/712538636.db2.gz DTTQNUUDLJEMAX-QMMMGPOBSA-N 0 0 247.258 1.896 10 5 BDBERN O=C1c2cc([N+](=O)[O-])ccc2CN1C1CC1 ZINC000685958477 538906013 /nfs/dbraw/zinc/90/60/13/538906013.db2.gz UVDYYIQYYRJJBT-UHFFFAOYSA-N 0 0 218.212 1.713 10 5 BDBERN Cc1cc(=O)n(-c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000100423117 178201179 /nfs/dbraw/zinc/20/11/79/178201179.db2.gz KEQIAXAZLDYMQK-UHFFFAOYSA-N 0 0 219.200 1.795 10 5 BDBERN CCOc1cc([N+](=O)[O-])c(CO)cc1OC ZINC000037226516 361756214 /nfs/dbraw/zinc/75/62/14/361756214.db2.gz KDRXUWRCRSYKFI-UHFFFAOYSA-N 0 0 227.216 1.494 10 5 BDBERN Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCC(=O)NC1 ZINC000104247432 178273281 /nfs/dbraw/zinc/27/32/81/178273281.db2.gz XABMRNCKXWIOLB-SECBINFHSA-N 0 0 249.270 1.594 10 5 BDBERN CC[C@@H](C)C(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C ZINC000012493681 342852775 /nfs/dbraw/zinc/85/27/75/342852775.db2.gz IHCPDBBYTYJYIL-ZJUUUORDSA-O 0 0 246.327 1.125 10 5 endogenous,in-man BDBERN COc1nc(OC(F)(F)F)ccc1[N+](=O)[O-] ZINC000309199711 342907592 /nfs/dbraw/zinc/90/75/92/342907592.db2.gz WPSQNSDCWLQDGL-UHFFFAOYSA-N 0 0 238.121 1.897 10 5 BDBERN COc1ccc(OC(F)(F)F)nc1[N+](=O)[O-] ZINC000309201637 342910818 /nfs/dbraw/zinc/91/08/18/342910818.db2.gz YCKVESRFBNPJRE-UHFFFAOYSA-N 0 0 238.121 1.897 10 5 BDBERN COC(=O)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000010382624 342928274 /nfs/dbraw/zinc/92/82/74/342928274.db2.gz RIGZFTYTOOLQRU-UHFFFAOYSA-N 0 0 235.199 1.118 10 5 BDBERN NC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000043493227 343091741 /nfs/dbraw/zinc/09/17/41/343091741.db2.gz DVTSHFGDIGYXEW-UHFFFAOYSA-N 0 0 215.596 1.739 10 5 BDBERN CC(=O)n1cnc2cc([N+](=O)[O-])ccc21 ZINC000003131082 187246188 /nfs/dbraw/zinc/24/61/88/187246188.db2.gz VUWVOWPCOGAWEV-UHFFFAOYSA-N 0 0 205.173 1.605 10 5 BDBERN Cn1nc(-c2ccc([N+](=O)[O-])cc2)cc1N ZINC000011851217 187250603 /nfs/dbraw/zinc/25/06/03/187250603.db2.gz LIOFBMQGNPBLMM-UHFFFAOYSA-N 0 0 218.216 1.578 10 5 BDBERN C[C@@]1(CO)COC(c2ccc([N+](=O)[O-])cc2)=N1 ZINC000201564228 343388000 /nfs/dbraw/zinc/38/80/00/343388000.db2.gz OCJFTIVJGGGRHA-LLVKDONJSA-N 0 0 236.227 1.123 10 5 BDBERN Cc1nccc(CNCc2ccc([N+](=O)[O-])o2)n1 ZINC000038037681 187262407 /nfs/dbraw/zinc/26/24/07/187262407.db2.gz ZNHCVJADUBRLHS-UHFFFAOYSA-N 0 0 248.242 1.576 10 5 BDBERN O=Cc1cnc(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000309516972 343662301 /nfs/dbraw/zinc/66/23/01/343662301.db2.gz VQVWBFCJXSOYGM-UHFFFAOYSA-N 0 0 236.105 1.701 10 5 BDBERN Nc1c([N+](=O)[O-])cnn1[C@H]1CCSC1 ZINC000043669430 343698133 /nfs/dbraw/zinc/69/81/33/343698133.db2.gz BPYOOFSZSBXQNC-YFKPBYRVSA-N 0 0 214.250 1.052 10 5 BDBERN COc1cnc([N+](=O)[O-])cc1OC(F)(F)F ZINC000309524087 343686735 /nfs/dbraw/zinc/68/67/35/343686735.db2.gz ZCTDVOCMGAYWEE-UHFFFAOYSA-N 0 0 238.121 1.897 10 5 BDBERN CSCc1ccc(NN)c([N+](=O)[O-])c1 ZINC000051151080 346962464 /nfs/dbraw/zinc/96/24/64/346962464.db2.gz OGTMAGSOZDSFTC-UHFFFAOYSA-N 0 0 213.262 1.743 10 5 BDBERN COc1cnc(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC000309229416 346996797 /nfs/dbraw/zinc/99/67/97/346996797.db2.gz VVXKIFCYGNCKAF-UHFFFAOYSA-N 0 0 238.121 1.897 10 5 BDBERN NC(=O)c1cccc([N+](=O)[O-])c1OC1CC1 ZINC000095736903 187287362 /nfs/dbraw/zinc/28/73/62/187287362.db2.gz BAXCBETXAGYKTB-UHFFFAOYSA-N 0 0 222.200 1.235 10 5 BDBERN CC(=O)c1cc(Br)nc([N+](=O)[O-])c1 ZINC000095766466 187288046 /nfs/dbraw/zinc/28/80/46/187288046.db2.gz BUIARPRCLYHFTL-UHFFFAOYSA-N 0 0 245.032 1.955 10 5 BDBERN CN(C)c1cncc([N+](=O)[O-])c1OC1CC1 ZINC000095727735 187288254 /nfs/dbraw/zinc/28/82/54/187288254.db2.gz PZOZFHFZLGRKSR-UHFFFAOYSA-N 0 0 223.232 1.597 10 5 BDBERN O=[N+]([O-])c1nccc(OC2CC2)c1[N+](=O)[O-] ZINC000095735947 187288350 /nfs/dbraw/zinc/28/83/50/187288350.db2.gz BBJADMHPNYFRLM-UHFFFAOYSA-N 0 0 225.160 1.439 10 5 BDBERN O=Cc1ccc([N+](=O)[O-])nc1OC(F)(F)F ZINC000309382515 347044683 /nfs/dbraw/zinc/04/46/83/347044683.db2.gz ZEYIUJFVJZVJKG-UHFFFAOYSA-N 0 0 236.105 1.701 10 5 BDBERN NCC(=O)c1cc(F)cc([N+](=O)[O-])c1F ZINC000223010348 344300084 /nfs/dbraw/zinc/30/00/84/344300084.db2.gz SWNCLGICJVJUGO-UHFFFAOYSA-N 0 0 216.143 1.014 10 5 BDBERN Cc1cc(N[C@H]2CCC[C@H]2O)ncc1[N+](=O)[O-] ZINC000074764962 344754942 /nfs/dbraw/zinc/75/49/42/344754942.db2.gz GZJACLIUCWRLOL-WCBMZHEXSA-N 0 0 237.259 1.624 10 5 BDBERN O=[N+]([O-])c1cnc(N[C@@H]2CCC[C@@H](O)C2)nc1 ZINC000612778954 344924665 /nfs/dbraw/zinc/92/46/65/344924665.db2.gz PNJSZIOPCLVJQF-VXNVDRBHSA-N 0 0 238.247 1.100 10 5 BDBERN O=[N+]([O-])c1cnc(Br)c(F)c1 ZINC000238609329 345091486 /nfs/dbraw/zinc/09/14/86/345091486.db2.gz MFPHKYKHPOABQM-UHFFFAOYSA-N 0 0 220.985 1.891 10 5 BDBERN COc1ccc([N+](=O)[O-])c(N2CC(C)(O)C2)c1 ZINC000155932685 187300941 /nfs/dbraw/zinc/30/09/41/187300941.db2.gz LELYZOBPFWLFRD-UHFFFAOYSA-N 0 0 238.243 1.174 10 5 BDBERN CN(C)Nc1c(F)c(F)ccc1[N+](=O)[O-] ZINC000148194442 345313245 /nfs/dbraw/zinc/31/32/45/345313245.db2.gz KJZLDEPCAMILOA-UHFFFAOYSA-N 0 0 217.175 1.762 10 5 BDBERN C[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000034867344 345842801 /nfs/dbraw/zinc/84/28/01/345842801.db2.gz OTUTVZBRKAKMKO-GMSGAONNSA-N 0 0 211.217 1.257 10 5 BDBERN C[C@@H](CO)[C@@H](O)c1ccccc1[N+](=O)[O-] ZINC000141662860 345861130 /nfs/dbraw/zinc/86/11/30/345861130.db2.gz UGGUIEKWGVFYAC-OIBJUYFYSA-N 0 0 211.217 1.257 10 5 BDBERN C[C@H]([C@H](O)c1cccc([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000034546558 345831500 /nfs/dbraw/zinc/83/15/00/345831500.db2.gz FPHVSSSCWVQSIK-MUWHJKNJSA-N 0 0 226.188 1.293 10 5 BDBERN COC(=O)C1(c2cccc([N+](=O)[O-])c2)CC1 ZINC000143757310 345866901 /nfs/dbraw/zinc/86/69/01/345866901.db2.gz ILFLJRMYBBASEP-UHFFFAOYSA-N 0 0 221.212 1.799 10 5 BDBERN COC[C@@H](C)Nc1ccc([N+](=O)[O-])c(N)c1F ZINC000613917315 345945275 /nfs/dbraw/zinc/94/52/75/345945275.db2.gz PISORJQDCTVLHA-ZCFIWIBFSA-N 0 0 243.238 1.763 10 5 BDBERN Cn1c(CO)cc2cc([N+](=O)[O-])ccc21 ZINC000136276040 346184803 /nfs/dbraw/zinc/18/48/03/346184803.db2.gz MBSMTXXPUHXSSE-UHFFFAOYSA-N 0 0 206.201 1.579 10 5 BDBERN Nc1nc2cc(CO)ccc2c2cccnc12 ZINC000115019885 346185784 /nfs/dbraw/zinc/18/57/84/346185784.db2.gz NVMSILKAUAFYTM-UHFFFAOYSA-N 0 0 225.251 1.858 10 5 BDBERN Cc1cccc(-c2cc([N+](=O)[O-])cc(C)[n+]2[O-])n1 ZINC000034606984 347153297 /nfs/dbraw/zinc/15/32/97/347153297.db2.gz HISIFLSUVIYVCK-UHFFFAOYSA-N 0 0 245.238 1.907 10 5 BDBERN CN1C[C@H](CNc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000596493005 348561158 /nfs/dbraw/zinc/56/11/58/348561158.db2.gz YBDJBYCOULNNSK-VIFPVBQESA-N 0 0 249.270 1.485 10 5 BDBERN C[C@@H](Nc1cccc([N+](=O)[O-])c1)N1CCCC1=O ZINC000198944660 349044461 /nfs/dbraw/zinc/04/44/61/349044461.db2.gz UUABOAYVPAOTOI-VIFPVBQESA-N 0 0 249.270 1.975 10 5 BDBERN Cc1cc(N2CC=CCN2)c(F)cc1[N+](=O)[O-] ZINC000599111461 349099237 /nfs/dbraw/zinc/09/92/37/349099237.db2.gz FFSBVHPXEPJJND-UHFFFAOYSA-N 0 0 237.234 1.923 10 5 BDBERN Cc1ccc([N+](=O)[O-])c(N2CC=CCN2)c1 ZINC000599112582 349099542 /nfs/dbraw/zinc/09/95/42/349099542.db2.gz PVRGWEGNKYRZLF-UHFFFAOYSA-N 0 0 219.244 1.784 10 5 BDBERN O=[N+]([O-])c1ncccc1NCC[C@@H]1CCCO1 ZINC000159320397 350013330 /nfs/dbraw/zinc/01/33/30/350013330.db2.gz ZISVVBMTQVURHO-VIFPVBQESA-N 0 0 237.259 1.971 10 5 BDBERN Cc1nc(O[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000221974607 350227372 /nfs/dbraw/zinc/22/73/72/350227372.db2.gz RKROAQQPEVCKMW-QMMMGPOBSA-N 0 0 224.216 1.466 10 5 BDBERN C[C@@H](CNc1ccccc1[N+](=O)[O-])[S@@](C)=O ZINC000159759769 350994854 /nfs/dbraw/zinc/99/48/54/350994854.db2.gz FPXMDXAEBUOYTQ-PWJLMRLQSA-N 0 0 242.300 1.774 10 5 BDBERN Cc1nn([C@@H]2CCOC2)c(Cl)c1[N+](=O)[O-] ZINC000306806764 351059369 /nfs/dbraw/zinc/05/93/69/351059369.db2.gz KVRFZVVGFNPNMR-ZCFIWIBFSA-N 0 0 231.639 1.715 10 5 BDBERN Cc1cc(C(N)=O)c(Cl)cc1[N+](=O)[O-] ZINC000306973354 351395339 /nfs/dbraw/zinc/39/53/39/351395339.db2.gz LMOWYONVQPAFTC-UHFFFAOYSA-N 0 0 214.608 1.656 10 5 BDBERN O=[N+]([O-])c1ccsc1N[C@@H]1C[C@@H]1CO ZINC000307137125 351494240 /nfs/dbraw/zinc/49/42/40/351494240.db2.gz WJHXTEWKHLFHQJ-PHDIDXHHSA-N 0 0 214.246 1.449 10 5 BDBERN C=C(OC)c1cc(C)nc(OC)c1[N+](=O)[O-] ZINC000035570178 187939314 /nfs/dbraw/zinc/93/93/14/187939314.db2.gz PDPVFYDNNMTBKX-UHFFFAOYSA-N 0 0 224.216 1.924 10 5 BDBERN O=[N+]([O-])c1nccn1CCCC[C@@H]1CO1 ZINC000027102440 188010337 /nfs/dbraw/zinc/01/03/37/188010337.db2.gz ANWNEPYNGISQND-MRVPVSSYSA-N 0 0 211.221 1.360 10 5 BDBERN COc1cc(F)c([N+](=O)[O-])cc1OC ZINC000032234961 353611507 /nfs/dbraw/zinc/61/15/07/353611507.db2.gz BUMDYIAERBGUID-UHFFFAOYSA-N 0 0 201.153 1.751 10 5 BDBERN Cc1cnc(NCC2CC(O)C2)c([N+](=O)[O-])c1 ZINC000090692511 363565751 /nfs/dbraw/zinc/56/57/51/363565751.db2.gz IZSADOOGNCNMGJ-UHFFFAOYSA-N 0 0 237.259 1.481 10 5 BDBERN COC(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 ZINC000035333459 357186632 /nfs/dbraw/zinc/18/66/32/357186632.db2.gz AUGVGTSXRRNQCA-UHFFFAOYSA-N 0 0 209.201 1.998 10 5 BDBERN CCOC(=O)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000168892323 357995466 /nfs/dbraw/zinc/99/54/66/357995466.db2.gz DDGNMYWCSRXDNM-UHFFFAOYSA-N 0 0 249.226 1.577 10 5 BDBERN Cc1c(Cc2nn[nH]n2)cccc1[N+](=O)[O-] ZINC000035649568 358013190 /nfs/dbraw/zinc/01/31/90/358013190.db2.gz UMUSGXKXDZUIMD-UHFFFAOYSA-N 0 0 219.204 1.007 10 5 BDBERN Cc1nn(Cc2ccncc2)cc1[N+](=O)[O-] ZINC000584648978 358128550 /nfs/dbraw/zinc/12/85/50/358128550.db2.gz PXEFZGABIDWXAS-UHFFFAOYSA-N 0 0 218.216 1.543 10 5 BDBERN C[C@]1(O)CCN[C@H](c2ccccc2)[C@H]1[N+](=O)[O-] ZINC000584608098 358268650 /nfs/dbraw/zinc/26/86/50/358268650.db2.gz OLMYXSWHSNCQGV-UTUOFQBUSA-N 0 0 236.271 1.117 10 5 BDBERN CC(=O)C[C@@H]1CCC[C@H](C[N+](=O)[O-])O1 ZINC000584608694 358269155 /nfs/dbraw/zinc/26/91/55/358269155.db2.gz AMMIXSYFOPEXNA-DTWKUNHWSA-N 0 0 201.222 1.180 10 5 BDBERN CSC(=O)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000584609196 358270693 /nfs/dbraw/zinc/27/06/93/358270693.db2.gz SBSXIUQGDUQKSA-UHFFFAOYSA-N 0 0 225.225 1.667 10 5 BDBERN COc1ccc([C@H](C[N+](=O)[O-])OC(C)=O)cc1 ZINC000584610321 358273416 /nfs/dbraw/zinc/27/34/16/358273416.db2.gz LSRYFVWEOLUUSR-NSHDSACASA-N 0 0 239.227 1.576 10 5 BDBERN CCOC(=O)c1ccc([N+](=O)[O-])c(OCC)n1 ZINC000584630009 358299009 /nfs/dbraw/zinc/29/90/09/358299009.db2.gz TUVHJHUGFMZFLN-UHFFFAOYSA-N 0 0 240.215 1.565 10 5 BDBERN CCOC(=O)C[C@H](C[N+](=O)[O-])c1nccs1 ZINC000584630385 358299621 /nfs/dbraw/zinc/29/96/21/358299621.db2.gz TYZNQKFNHBLGAA-SSDOTTSWSA-N 0 0 244.272 1.457 10 5 BDBERN CC(=O)OC1(F)C=CC(C)([N+](=O)[O-])C=C1 ZINC000584657004 358308817 /nfs/dbraw/zinc/30/88/17/358308817.db2.gz RUQZWFCXVZFRHE-UHFFFAOYSA-N 0 0 215.180 1.377 10 5 BDBERN O=[N+]([O-])c1c(Cl)nccc1N1CCOCC1 ZINC000584633403 358317000 /nfs/dbraw/zinc/31/70/00/358317000.db2.gz ABWFJTPDQFAVBB-UHFFFAOYSA-N 0 0 243.650 1.480 10 5 BDBERN Nc1[nH]c(=O)nc2oc3ccccc3c(=O)c12 ZINC000584635678 358320063 /nfs/dbraw/zinc/32/00/63/358320063.db2.gz VAJYDSQYLMMLTM-UHFFFAOYSA-N 0 0 229.195 1.024 10 5 BDBERN CCNC(=O)c1sccc1[N+](=O)[O-] ZINC000306153257 358918823 /nfs/dbraw/zinc/91/88/23/358918823.db2.gz JBHFYSJUDQKXMU-UHFFFAOYSA-N 0 0 200.219 1.406 10 5 BDBERN O=[N+]([O-])c1nn(C(F)F)cc1Br ZINC000040517289 359102405 /nfs/dbraw/zinc/10/24/05/359102405.db2.gz VCDNIGDXPBEUQO-UHFFFAOYSA-N 0 0 241.979 1.949 10 5 BDBERN C[C@H](CO)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000037666578 364460205 /nfs/dbraw/zinc/46/02/05/364460205.db2.gz MIFNCKUUIPZRSR-ZCFIWIBFSA-N 0 0 214.196 1.527 10 5 BDBERN O=[N+]([O-])c1cccc([C@@H]2CO[C@H](CO)C2)c1 ZINC000675060376 541463504 /nfs/dbraw/zinc/46/35/04/541463504.db2.gz FZWYNPKHGULRLN-ONGXEEELSA-N 0 0 223.228 1.460 10 5 BDBERN CCn1ccnc1Cn1cc([N+](=O)[O-])cn1 ZINC000195517391 367366003 /nfs/dbraw/zinc/36/60/03/367366003.db2.gz CKIYHBHJYGQQJP-UHFFFAOYSA-N 0 0 221.220 1.056 10 5 BDBERN COc1cc(N2CCCC2)ncc1[N+](=O)[O-] ZINC000115233664 370632912 /nfs/dbraw/zinc/63/29/12/370632912.db2.gz ULVCAXFWQYDJCA-UHFFFAOYSA-N 0 0 223.232 1.599 10 5 BDBERN O=[N+]([O-])c1cc(F)ncc1Br ZINC000215837569 371641349 /nfs/dbraw/zinc/64/13/49/371641349.db2.gz PFAYLBRNOWWXHA-UHFFFAOYSA-N 0 0 220.985 1.891 10 5 BDBERN Nc1nccc(Oc2ccc([N+](=O)[O-])cc2)n1 ZINC000147878546 181799461 /nfs/dbraw/zinc/79/94/61/181799461.db2.gz IWJNMSWNXYOZAQ-UHFFFAOYSA-N 0 0 232.199 1.759 10 5 BDBERN O=[N+]([O-])c1ccc(N[C@H]2CCC[C@@H](O)C2)cn1 ZINC000603865774 371937803 /nfs/dbraw/zinc/93/78/03/371937803.db2.gz QMKSKRXCCJLRIH-WCBMZHEXSA-N 0 0 237.259 1.705 10 5 BDBERN Cc1c(Cl)c([N+](=O)[O-])ccc1C(N)=O ZINC000307158841 372089872 /nfs/dbraw/zinc/08/98/72/372089872.db2.gz SUQIMNXAWQKENI-UHFFFAOYSA-N 0 0 214.608 1.656 10 5 BDBERN O=C(Cn1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000037340826 182069666 /nfs/dbraw/zinc/06/96/66/182069666.db2.gz UMMMYIUOVGVBKJ-UHFFFAOYSA-N 0 0 231.211 1.674 10 5 BDBERN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cnon1 ZINC000066098651 182362029 /nfs/dbraw/zinc/36/20/29/182362029.db2.gz CIVDKIPKJCZWKO-UHFFFAOYSA-N 0 0 234.171 1.230 10 5 BDBERN O=CNc1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC000004343996 182854619 /nfs/dbraw/zinc/85/46/19/182854619.db2.gz VDLZILNPTALKLD-UHFFFAOYSA-N 0 0 206.161 1.039 10 5 BDBERN O=Cc1cc([N+](=O)[O-])ccc1OC[C@H]1CO1 ZINC000098179945 182863327 /nfs/dbraw/zinc/86/33/27/182863327.db2.gz QOYVEBGMQXNBHL-SECBINFHSA-N 0 0 223.184 1.185 10 5 BDBERN O=Cc1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000015416332 182875725 /nfs/dbraw/zinc/87/57/25/182875725.db2.gz QHFVYOOJFPNSRS-UHFFFAOYSA-N 0 0 217.184 1.593 10 5 BDBERN O=[N+]([O-])c1ccc(NCc2cn[nH]c2)cn1 ZINC000053297437 182936741 /nfs/dbraw/zinc/93/67/41/182936741.db2.gz VZHJTWGKKKEXDF-UHFFFAOYSA-N 0 0 219.204 1.325 10 5 BDBERN O=[N+]([O-])c1ccc2cnn(CCCCO)c2c1 ZINC000035649935 182942363 /nfs/dbraw/zinc/94/23/63/182942363.db2.gz OUPMKVVTBOJHIM-UHFFFAOYSA-N 0 0 235.243 1.717 10 5 BDBERN O=c1occc2c1cnc1nc3ccccc3n12 ZINC000072416014 183012804 /nfs/dbraw/zinc/01/28/04/183012804.db2.gz ZYPNICYTFZBGFD-UHFFFAOYSA-N 0 0 237.218 1.989 10 5 BDBERN CCCOc1ccc(CO)cc1[N+](=O)[O-] ZINC000034960538 169319451 /nfs/dbraw/zinc/31/94/51/169319451.db2.gz FRVGNEILDOTKBR-UHFFFAOYSA-N 0 0 211.217 1.876 10 5 BDBERN COC(=O)c1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC000043220672 384658393 /nfs/dbraw/zinc/65/83/93/384658393.db2.gz HHXVNXDALZRLBI-UHFFFAOYSA-N 0 0 220.184 1.863 10 5 BDBERN Nc1ccc(Br)c([N+](=O)[O-])n1 ZINC000072188052 384801852 /nfs/dbraw/zinc/80/18/52/384801852.db2.gz LZAGKOUCASAJII-UHFFFAOYSA-N 0 0 218.010 1.335 10 5 BDBERN COC(=O)c1ccccc1NCC[N+](=O)[O-] ZINC000071973710 384888617 /nfs/dbraw/zinc/88/86/17/384888617.db2.gz CZVPYDSPZIYPPQ-UHFFFAOYSA-N 0 0 224.216 1.162 10 5 BDBERN COC(=O)Cc1c(O)ccc(F)c1[N+](=O)[O-] ZINC000575713486 384857505 /nfs/dbraw/zinc/85/75/05/384857505.db2.gz BLYGBSPPERUJLT-UHFFFAOYSA-N 0 0 229.163 1.155 10 5 BDBERN CCOC(=O)c1ccc(O)c(N)c1[N+](=O)[O-] ZINC000575724331 384908635 /nfs/dbraw/zinc/90/86/35/384908635.db2.gz BDKZFEYEODKQFP-UHFFFAOYSA-N 0 0 226.188 1.059 10 5 BDBERN CCOC(=O)Cc1c(N)ccc(F)c1[N+](=O)[O-] ZINC000575724765 384908856 /nfs/dbraw/zinc/90/88/56/384908856.db2.gz SFHNZHHSFFWYOB-UHFFFAOYSA-N 0 0 242.206 1.422 10 5 BDBERN CCOC(=O)Cc1cc(N)cc([N+](=O)[O-])c1F ZINC000575724696 384911125 /nfs/dbraw/zinc/91/11/25/384911125.db2.gz PXEMIPSEYIOLHE-UHFFFAOYSA-N 0 0 242.206 1.422 10 5 BDBERN CNc1c(OC)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000207671262 385115244 /nfs/dbraw/zinc/11/52/44/385115244.db2.gz ZBSWNYDAUOSAAL-UHFFFAOYSA-N 0 0 227.176 1.553 10 5 BDBERN C[C@]1(F)CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000408049253 385183173 /nfs/dbraw/zinc/18/31/73/385183173.db2.gz XGXJTINATLUJCU-JTQLQIEISA-N 0 0 225.223 1.928 10 5 BDBERN COC(=O)Cc1cc(F)c([N+](=O)[O-])c(F)c1 ZINC000258105246 385540081 /nfs/dbraw/zinc/54/00/81/385540081.db2.gz SZWLOTTZYGHWJR-UHFFFAOYSA-N 0 0 231.154 1.589 10 5 BDBERN O=[N+]([O-])c1cnc2c(c1)CN([C@H]1CCOC1)CC2 ZINC000408065062 385551389 /nfs/dbraw/zinc/55/13/89/385551389.db2.gz XNUVOIATGHRYRN-JTQLQIEISA-N 0 0 249.270 1.137 10 5 BDBERN COC(=O)Cc1c(F)ccc(OC)c1[N+](=O)[O-] ZINC000259853581 385788295 /nfs/dbraw/zinc/78/82/95/385788295.db2.gz NRMUHPLXDNAENM-UHFFFAOYSA-N 0 0 243.190 1.458 10 5 BDBERN COc1ccc(OC(F)F)c(CO)c1[N+](=O)[O-] ZINC000575664765 387312378 /nfs/dbraw/zinc/31/23/78/387312378.db2.gz KWTFZGOPIYUCBU-UHFFFAOYSA-N 0 0 249.169 1.697 10 5 BDBERN COc1ccc(CO)c(OC(F)F)c1[N+](=O)[O-] ZINC000575665121 387313465 /nfs/dbraw/zinc/31/34/65/387313465.db2.gz OGTCCLAZBLYFTR-UHFFFAOYSA-N 0 0 249.169 1.697 10 5 BDBERN Cc1cc(CO)cc(OC(F)F)c1[N+](=O)[O-] ZINC000575668270 387324863 /nfs/dbraw/zinc/32/48/63/387324863.db2.gz UAQXUTGYBDAMFZ-UHFFFAOYSA-N 0 0 233.170 1.997 10 5 BDBERN CCOC(=O)Cc1cc(N)c(F)cc1[N+](=O)[O-] ZINC000575724293 387449370 /nfs/dbraw/zinc/44/93/70/387449370.db2.gz DUEGPZLLZMCHIG-UHFFFAOYSA-N 0 0 242.206 1.422 10 5 BDBERN CCOC(=O)Cc1ccc(N)c(C)c1[N+](=O)[O-] ZINC000575724857 387462280 /nfs/dbraw/zinc/46/22/80/387462280.db2.gz CEFYOZXTHRCGSM-UHFFFAOYSA-N 0 0 238.243 1.591 10 5 BDBERN COC(=O)c1c(Cl)c(N)ccc1[N+](=O)[O-] ZINC000575725010 387459694 /nfs/dbraw/zinc/45/96/94/387459694.db2.gz FGLIREPSZRACIA-UHFFFAOYSA-N 0 0 230.607 1.617 10 5 BDBERN CCOc1cc([N+](=O)[O-])cc(F)c1CO ZINC000575698031 387392849 /nfs/dbraw/zinc/39/28/49/387392849.db2.gz YMZILBOKVAJJRL-UHFFFAOYSA-N 0 0 215.180 1.625 10 5 BDBERN CCOc1cc([N+](=O)[O-])c(C=O)cc1F ZINC000575694671 387393834 /nfs/dbraw/zinc/39/38/34/387393834.db2.gz AZPZOGMEGGJHPI-UHFFFAOYSA-N 0 0 213.164 1.945 10 5 BDBERN CCOc1cc(F)c([N+](=O)[O-])cc1C(N)=O ZINC000575697611 387394052 /nfs/dbraw/zinc/39/40/52/387394052.db2.gz XYNZBPQTWPPUDD-UHFFFAOYSA-N 0 0 228.179 1.232 10 5 BDBERN CCOc1cc([N+](=O)[O-])c(F)cc1C=O ZINC000575695255 387396313 /nfs/dbraw/zinc/39/63/13/387396313.db2.gz DJTXQJIPVYMEBB-UHFFFAOYSA-N 0 0 213.164 1.945 10 5 BDBERN COC(=O)Cc1ccc(Cl)c(N)c1[N+](=O)[O-] ZINC000575724810 387460414 /nfs/dbraw/zinc/46/04/14/387460414.db2.gz ARGQVRCPFHPVHA-UHFFFAOYSA-N 0 0 244.634 1.546 10 5 BDBERN COC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1N ZINC000575727370 387461225 /nfs/dbraw/zinc/46/12/25/387461225.db2.gz XXKAFSWIMSBVSC-UHFFFAOYSA-N 0 0 244.634 1.546 10 5 BDBERN CCOC(=O)c1c(N)ccc(C)c1[N+](=O)[O-] ZINC000575727607 387464049 /nfs/dbraw/zinc/46/40/49/387464049.db2.gz XFXJIZZDLJVXMB-UHFFFAOYSA-N 0 0 224.216 1.662 10 5 BDBERN CCOC(=O)c1c(N)cc(C)cc1[N+](=O)[O-] ZINC000575727712 387465698 /nfs/dbraw/zinc/46/56/98/387465698.db2.gz ZVJYNEBXVPGSBA-UHFFFAOYSA-N 0 0 224.216 1.662 10 5 BDBERN Nc1cc([N+](=O)[O-])c(F)cc1OC(F)F ZINC000575623972 387814345 /nfs/dbraw/zinc/81/43/45/387814345.db2.gz DVBFIBOOYOMVOL-UHFFFAOYSA-N 0 0 222.122 1.918 10 5 BDBERN C[C@H](CO)CNc1cc(F)ccc1[N+](=O)[O-] ZINC000083220520 388047263 /nfs/dbraw/zinc/04/72/63/388047263.db2.gz CFBNRIQIHSNONG-ZETCQYMHSA-N 0 0 228.223 1.774 10 5 BDBERN Nc1cc([N+](=O)[O-])c(OC(F)F)cc1F ZINC000238854725 388259197 /nfs/dbraw/zinc/25/91/97/388259197.db2.gz OWSSVFCXYHNSIH-UHFFFAOYSA-N 0 0 222.122 1.918 10 5 BDBERN Cc1ccc(N[C@@H]2CCN(C)C2=O)c([N+](=O)[O-])c1 ZINC000080646397 388712657 /nfs/dbraw/zinc/71/26/57/388712657.db2.gz DFATXKZODVCKSZ-SNVBAGLBSA-N 0 0 249.270 1.546 10 5 BDBERN O=[N+]([O-])c1cnc2n[nH]c(C3CC3)c2c1 ZINC000095830660 388787925 /nfs/dbraw/zinc/78/79/25/388787925.db2.gz MPPCYRLHEBJLSG-UHFFFAOYSA-N 0 0 204.189 1.744 10 5 BDBERN Cc1c[n+]([O-])c(NCCC(C)C)cc1[N+](=O)[O-] ZINC000280991315 177637865 /nfs/dbraw/zinc/63/78/65/177637865.db2.gz OOTLRGQCVBEDHN-UHFFFAOYSA-N 0 0 239.275 1.995 10 5 BDBERN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC12CCC2 ZINC000408069750 134385211 /nfs/dbraw/zinc/38/52/11/134385211.db2.gz COJLUJVBUKERPD-UHFFFAOYSA-N 0 0 236.231 1.087 10 5 BDBERN C[C@@H](CNc1ccc([N+](=O)[O-])cc1)[S@@](C)=O ZINC000159726160 134788405 /nfs/dbraw/zinc/78/84/05/134788405.db2.gz ISPVTFGUJYKCEG-PWJLMRLQSA-N 0 0 242.300 1.774 10 5 BDBERN CC(C)NC(=O)c1cc(N)c(F)cc1[N+](=O)[O-] ZINC000050697207 167086304 /nfs/dbraw/zinc/08/63/04/167086304.db2.gz QQOOEYAHMYFSKX-UHFFFAOYSA-N 0 0 241.222 1.454 10 5 BDBERN CC(C)Nc1ncnc(-n2ccnc2)c1[N+](=O)[O-] ZINC000040597852 167150950 /nfs/dbraw/zinc/15/09/50/167150950.db2.gz UJWFWTVJNNRYGO-UHFFFAOYSA-N 0 0 248.246 1.391 10 5 BDBERN CCNc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000301794827 170174665 /nfs/dbraw/zinc/17/46/65/170174665.db2.gz PEVCNLVBVKPMQB-UHFFFAOYSA-N 0 0 244.272 1.430 10 5 BDBERN CCOC(=O)CCNc1cccc([N+](=O)[O-])c1 ZINC000041676644 170209740 /nfs/dbraw/zinc/20/97/40/170209740.db2.gz BLNNAJDYOYDDAV-UHFFFAOYSA-N 0 0 238.243 1.960 10 5 BDBERN CCOC(=O)[C@H](C)Nc1cccc([N+](=O)[O-])c1 ZINC000049374165 170269114 /nfs/dbraw/zinc/26/91/14/170269114.db2.gz CBPOTKMSUDPFPX-QMMMGPOBSA-N 0 0 238.243 1.958 10 5 BDBERN CCOC(=O)c1c(O)cccc1[N+](=O)[O-] ZINC000095932972 170289258 /nfs/dbraw/zinc/28/92/58/170289258.db2.gz UWNNFIIPEPEGTK-UHFFFAOYSA-N 0 0 211.173 1.477 10 5 BDBERN CCOc1nc2sccn2c1[N+](=O)[O-] ZINC000022156907 170603985 /nfs/dbraw/zinc/60/39/85/170603985.db2.gz XVBNYSQIURKMBV-UHFFFAOYSA-N 0 0 213.218 1.703 10 5 BDBERN CCc1nn(C)c(N[C@H]2C[C@@H]2C)c1[N+](=O)[O-] ZINC000085020925 172038883 /nfs/dbraw/zinc/03/88/83/172038883.db2.gz WWFMWJQHEJPLJU-XPUUQOCRSA-N 0 0 224.264 1.711 10 5 BDBERN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1C[C@H]1C ZINC000085022357 172249113 /nfs/dbraw/zinc/24/91/13/172249113.db2.gz KWEMXTICEYSZMG-SVRRBLITSA-N 0 0 224.264 1.940 10 5 BDBERN COc1ccc(-c2cc[nH]n2)cc1[N+](=O)[O-] ZINC000253563316 175035093 /nfs/dbraw/zinc/03/50/93/175035093.db2.gz FHOHAVJZZUQVAA-UHFFFAOYSA-N 0 0 219.200 1.994 10 5 BDBERN C[C@@H]1CN(c2ncc([N+](=O)[O-])s2)C[C@@H](C)O1 ZINC000190299514 176321178 /nfs/dbraw/zinc/32/11/78/176321178.db2.gz HVOCQQXLTHAKAT-RNFRBKRXSA-N 0 0 243.288 1.665 10 5 BDBERN C[C@@H](Oc1ccc([N+](=O)[O-])cc1)[C@H](C)O ZINC000087138824 177005407 /nfs/dbraw/zinc/00/54/07/177005407.db2.gz FYDXUAIIXXMABU-JGVFFNPUSA-N 0 0 211.217 1.743 10 5 BDBERN C[C@H](O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC000087138831 177012271 /nfs/dbraw/zinc/01/22/71/177012271.db2.gz FYDXUAIIXXMABU-YUMQZZPRSA-N 0 0 211.217 1.743 10 5 BDBERN C[C@H](c1ccco1)n1ncc([N+](=O)[O-])c1N ZINC000043669636 177049355 /nfs/dbraw/zinc/04/93/55/177049355.db2.gz HPBPBMWXBRPROK-ZCFIWIBFSA-N 0 0 222.204 1.576 10 5 BDBERN C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[N+](=O)[O-] ZINC000096032621 177151214 /nfs/dbraw/zinc/15/12/14/177151214.db2.gz QZCNPUUDAUMBEN-DTWKUNHWSA-N 0 0 244.291 1.909 10 5 BDBERN CC(=O)c1cc([N+](=O)[O-])cc2nc[nH]c21 ZINC000575442492 487682490 /nfs/dbraw/zinc/68/24/90/487682490.db2.gz WFPOBEINOOFFNB-UHFFFAOYSA-N 0 0 205.173 1.674 10 5 BDBERN CCOC(=O)c1cc([N+](=O)[O-])c(C=O)cc1F ZINC000536954748 323963241 /nfs/dbraw/zinc/96/32/41/323963241.db2.gz UEOZFXGNIANYOG-UHFFFAOYSA-N 0 0 241.174 1.723 10 5 BDBERN COc1cc(CO)c([N+](=O)[O-])cc1Cl ZINC000306525864 582653230 /nfs/dbraw/zinc/65/32/30/582653230.db2.gz RSRSRWOPVRQZQW-UHFFFAOYSA-N 0 0 217.608 1.749 10 5 BDBERN O=C1C[C@H](c2cccc([N+](=O)[O-])c2)CN1 ZINC000238643143 582672202 /nfs/dbraw/zinc/67/22/02/582672202.db2.gz CUYYIOHGMFMRFY-QMMMGPOBSA-N 0 0 206.201 1.198 10 5 BDBERN COC1CC(Nc2cccnc2[N+](=O)[O-])C1 ZINC000230594920 632817679 /nfs/dbraw/zinc/81/76/79/632817679.db2.gz NFOQKALFVATRAU-UHFFFAOYSA-N 0 0 223.232 1.579 10 5 BDBERN COC1CC(Nc2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000230593242 632818466 /nfs/dbraw/zinc/81/84/66/632818466.db2.gz XAJWQAHBUYVKKS-UHFFFAOYSA-N 0 0 237.259 1.888 10 5 BDBERN Cc1cccc([N+](=O)[O-])c1N[C@@H]1CNOC1 ZINC000722472656 711758704 /nfs/dbraw/zinc/75/87/04/711758704.db2.gz NMPRNNBUDHSFDX-MRVPVSSYSA-N 0 0 223.232 1.219 10 5 BDBERN Cc1cccc(N[C@@H]2CNOC2)c1[N+](=O)[O-] ZINC000722471815 711758459 /nfs/dbraw/zinc/75/84/59/711758459.db2.gz FQGGOCUELDEAPH-MRVPVSSYSA-N 0 0 223.232 1.219 10 5 BDBERN COCC1CC(Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000713930103 712473833 /nfs/dbraw/zinc/47/38/33/712473833.db2.gz ICWCWRYARJPLTD-UHFFFAOYSA-N 0 0 237.259 1.827 10 5 BDBERN C[C@@H](Nc1ccccc1[N+](=O)[O-])c1cn(C)nn1 ZINC000715856255 712537347 /nfs/dbraw/zinc/53/73/47/712537347.db2.gz ZTBCCFIGHJJRIM-MRVPVSSYSA-N 0 0 247.258 1.896 10 5 BDBERN CC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000111690948 712688211 /nfs/dbraw/zinc/68/82/11/712688211.db2.gz SBFGSDJWYZWBBU-SNVBAGLBSA-N 0 0 249.270 1.795 10 5 BDBERN C[C@@H](Nc1ncccc1[N+](=O)[O-])c1cn(C)nn1 ZINC000720526368 712849166 /nfs/dbraw/zinc/84/91/66/712849166.db2.gz ZWYWBDLXBYQBLL-SSDOTTSWSA-N 0 0 248.246 1.291 10 5 BDBERN O=C1c2cccc([N+](=O)[O-])c2CN1C1CC1 ZINC000685958511 538905803 /nfs/dbraw/zinc/90/58/03/538905803.db2.gz YYSUDRQYRZGHHP-UHFFFAOYSA-N 0 0 218.212 1.713 10 5 BDBERN Cc1cc(N)nn1-c1ccccc1[N+](=O)[O-] ZINC000054404736 178111390 /nfs/dbraw/zinc/11/13/90/178111390.db2.gz OGAAHHPIEYRADX-UHFFFAOYSA-N 0 0 218.216 1.671 10 5 BDBERN Cc1cc(S(C)(=O)=O)cc([N+](=O)[O-])c1C ZINC000205161042 178216664 /nfs/dbraw/zinc/21/66/64/178216664.db2.gz HAGDXUCBVIDYTM-UHFFFAOYSA-N 0 0 229.257 1.615 10 5 BDBERN Cc1ccc(-c2nnc([C@H](C)N)o2)cc1[N+](=O)[O-] ZINC000050284159 178341501 /nfs/dbraw/zinc/34/15/01/178341501.db2.gz WLHSLXQSYDZMKV-ZETCQYMHSA-N 0 0 248.242 1.973 10 5 BDBERN CC(C)N1Cc2c(cccc2[N+](=O)[O-])C1=O ZINC000140165635 538951600 /nfs/dbraw/zinc/95/16/00/538951600.db2.gz RPKOLNQCPZBGFA-UHFFFAOYSA-N 0 0 220.228 1.959 10 5 BDBERN CCc1cc([N+](=O)[O-])c2ccccc2[n+]1[O-] ZINC000005688558 342768473 /nfs/dbraw/zinc/76/84/73/342768473.db2.gz PRKXMDAZSIZPDV-UHFFFAOYSA-N 0 0 218.212 1.944 10 5 BDBERN CCOC(=O)c1ccc(C)c(N)c1[N+](=O)[O-] ZINC000309147598 342896063 /nfs/dbraw/zinc/89/60/63/342896063.db2.gz JWQGRHOJMFGQTK-UHFFFAOYSA-N 0 0 224.216 1.662 10 5 BDBERN O=[N+]([O-])c1ncccc1NC[C@@H]1CCC[C@@H]1O ZINC000134783366 342885899 /nfs/dbraw/zinc/88/58/99/342885899.db2.gz MTPCIQUETDKMAH-WPRPVWTQSA-N 0 0 237.259 1.563 10 5 BDBERN CCOC(=O)[C@](C)(c1ccccc1)[N+](=O)[O-] ZINC000034519363 346888711 /nfs/dbraw/zinc/88/87/11/346888711.db2.gz AMASVTILLYGEAP-NSHDSACASA-N 0 0 223.228 1.742 10 5 BDBERN CCOC(=O)C[C@H](C[N+](=O)[O-])c1ccco1 ZINC000196523353 346912506 /nfs/dbraw/zinc/91/25/06/346912506.db2.gz VNYUXZSAKIYRMN-MRVPVSSYSA-N 0 0 227.216 1.593 10 5 BDBERN Cc1ccc2ccc3nc(N)[nH]c(=O)c3c2c1 ZINC000013832395 343105643 /nfs/dbraw/zinc/10/56/43/343105643.db2.gz RSVSQKYNNIYRIO-UHFFFAOYSA-N 0 0 225.251 1.967 10 5 BDBERN CC(=O)Nc1cccc(N(C)C)c1[N+](=O)[O-] ZINC000005283609 187247579 /nfs/dbraw/zinc/24/75/79/187247579.db2.gz QGKMKJYEMBSSNB-UHFFFAOYSA-N 0 0 223.232 1.619 10 5 BDBERN CC(=O)CC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000019409129 187251552 /nfs/dbraw/zinc/25/15/52/187251552.db2.gz KCJNSLWHTIMUDB-UHFFFAOYSA-N 0 0 236.227 1.821 10 5 BDBERN O=C(c1ccc([N+](=O)[O-])cc1)c1cncnc1 ZINC000045028829 343521539 /nfs/dbraw/zinc/52/15/39/343521539.db2.gz XIMVYSIWRUMXRV-UHFFFAOYSA-N 0 0 229.195 1.616 10 5 BDBERN O=[N+]([O-])c1cnc(CO)c(OC(F)(F)F)c1 ZINC000309515022 343661595 /nfs/dbraw/zinc/66/15/95/343661595.db2.gz UDXOPKSUPWEUSR-UHFFFAOYSA-N 0 0 238.121 1.381 10 5 BDBERN CCOC(=O)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000231453653 344742357 /nfs/dbraw/zinc/74/23/57/344742357.db2.gz KYWDNCBINYXTAE-UHFFFAOYSA-N 0 0 239.227 1.709 10 5 BDBERN Cc1ccc(N2CCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000042434755 178714342 /nfs/dbraw/zinc/71/43/42/178714342.db2.gz GYVOBTIBSJYPDU-JTQLQIEISA-N 0 0 236.271 1.864 10 5 BDBERN Cc1cnc(NCc2ncnn2C)c([N+](=O)[O-])c1 ZINC000078677562 344896491 /nfs/dbraw/zinc/89/64/91/344896491.db2.gz VDIDUILNOYDUNV-UHFFFAOYSA-N 0 0 248.246 1.039 10 5 BDBERN [NH3+][C@H](C[N+](=O)[O-])c1ccccc1Cl ZINC000113413583 345753352 /nfs/dbraw/zinc/75/33/52/345753352.db2.gz JHXJXWACADXFOC-MRVPVSSYSA-N 0 0 200.625 1.617 10 5 BDBERN Cc1ccc([N+](=O)[O-])cc1NC(N)=S ZINC000019863844 178931840 /nfs/dbraw/zinc/93/18/40/178931840.db2.gz BOZLXCILDJZHSR-UHFFFAOYSA-N 0 0 211.246 1.559 10 5 BDBERN NNCc1cccc([N+](=O)[O-])c1Br ZINC000236196099 346205943 /nfs/dbraw/zinc/20/59/43/346205943.db2.gz SWDSCWJWTWGWFB-UHFFFAOYSA-N 0 0 246.064 1.321 10 5 BDBERN CCOC(=O)c1cccc2ncc([N+](=O)[O-])n21 ZINC000166995172 346181131 /nfs/dbraw/zinc/18/11/31/346181131.db2.gz UUJNTTLPYPJRTK-UHFFFAOYSA-N 0 0 235.199 1.419 10 5 BDBERN COC(=O)Cc1ccc([N+](=O)[O-])cc1C ZINC000034180978 346218761 /nfs/dbraw/zinc/21/87/61/346218761.db2.gz KRGZIGDCTQZMFQ-UHFFFAOYSA-N 0 0 209.201 1.619 10 5 BDBERN O=[N+]([O-])c1ccc2nc(N3CCOCC3)oc2c1 ZINC000196193137 347828404 /nfs/dbraw/zinc/82/84/04/347828404.db2.gz NFIFNDKCPFFWBZ-UHFFFAOYSA-N 0 0 249.226 1.573 10 5 BDBERN CCOC(=O)C[C@@H](C[N+](=O)[O-])c1ccco1 ZINC000196523338 347918645 /nfs/dbraw/zinc/91/86/45/347918645.db2.gz VNYUXZSAKIYRMN-QMMMGPOBSA-N 0 0 227.216 1.593 10 5 BDBERN CN1CCc2ccccc2[C@H]1C[N+](=O)[O-] ZINC000198044826 348605860 /nfs/dbraw/zinc/60/58/60/348605860.db2.gz WWALMKXBBFEROQ-LLVKDONJSA-N 0 0 206.245 1.492 10 5 BDBERN CN1C[C@@H](CNc2ccccc2[N+](=O)[O-])CC1=O ZINC000596489131 348559783 /nfs/dbraw/zinc/55/97/83/348559783.db2.gz CHTSDWAZVUUUCO-SECBINFHSA-N 0 0 249.270 1.485 10 5 BDBERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1)N1CCCC1=O ZINC000198964867 349049839 /nfs/dbraw/zinc/04/98/39/349049839.db2.gz AMNDNUNTIBCBHO-VIFPVBQESA-N 0 0 249.270 1.975 10 5 BDBERN O=[N+]([O-])c1ccc(N[C@H]2CCOC[C@@H]2O)cc1 ZINC000599178739 349121678 /nfs/dbraw/zinc/12/16/78/349121678.db2.gz ODBXRTQVGAHUOL-QWRGUYRKSA-N 0 0 238.243 1.157 10 5 BDBERN Cc1nn([C@@H]2CCSC2)c(N)c1[N+](=O)[O-] ZINC000043670272 180391824 /nfs/dbraw/zinc/39/18/24/180391824.db2.gz DBGNNWWZLRIEHK-ZCFIWIBFSA-N 0 0 228.277 1.360 10 5 BDBERN C[C@H]1C[C@@H]1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000076077958 362968357 /nfs/dbraw/zinc/96/83/57/362968357.db2.gz WKHKPEDCEVBRAI-KWQFWETISA-N 0 0 249.270 1.802 10 5 BDBERN COc1ccc(F)c(OC)c1[N+](=O)[O-] ZINC000306976935 351396237 /nfs/dbraw/zinc/39/62/37/351396237.db2.gz GAGBDHPSVPLNTJ-UHFFFAOYSA-N 0 0 201.153 1.751 10 5 BDBERN Cn1c(=N)sc2cc([N+](=O)[O-])ccc21 ZINC000002455275 180609521 /nfs/dbraw/zinc/60/95/21/180609521.db2.gz YNEYOQIUYCTUST-UHFFFAOYSA-N 0 0 209.230 1.627 10 5 BDBERN Cc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1F ZINC000044184912 352202432 /nfs/dbraw/zinc/20/24/32/352202432.db2.gz UWOBPHMHCZNDMT-UHFFFAOYSA-N 0 0 200.125 1.951 10 5 BDBERN COC(=O)Nc1ccc(C=O)c([N+](=O)[O-])c1 ZINC000224966163 363198824 /nfs/dbraw/zinc/19/88/24/363198824.db2.gz COXGDEKCSOXZOV-UHFFFAOYSA-N 0 0 224.172 1.586 10 5 BDBERN COc1ccc([N+](=O)[O-])c(C(N)=S)c1 ZINC000083346898 188008593 /nfs/dbraw/zinc/00/85/93/188008593.db2.gz FNLCYYDSPOCFTG-UHFFFAOYSA-N 0 0 212.230 1.238 10 5 BDBERN COc1ccnc(Br)c1[N+](=O)[O-] ZINC000299889961 188043049 /nfs/dbraw/zinc/04/30/49/188043049.db2.gz RPAKNWYJVGSRKQ-UHFFFAOYSA-N 0 0 233.021 1.761 10 5 BDBERN O=[N+]([O-])c1cc(F)ccc1NCC1CC(O)C1 ZINC000160229510 353767323 /nfs/dbraw/zinc/76/73/23/353767323.db2.gz JYYYGALHWOXRHZ-UHFFFAOYSA-N 0 0 240.234 1.917 10 5 BDBERN C[C@@H](O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000035631815 358009459 /nfs/dbraw/zinc/00/94/59/358009459.db2.gz OYACEVBMZZGXRV-MRVPVSSYSA-N 0 0 233.227 1.834 10 5 BDBERN CC(=O)O[C@H](C(C)=O)c1ccccc1[N+](=O)[O-] ZINC000584613506 358277455 /nfs/dbraw/zinc/27/74/55/358277455.db2.gz NDWSQLYUIIDJHD-LLVKDONJSA-N 0 0 237.211 1.788 10 5 BDBERN CCOC(=O)C[C@@H](O)c1ccccc1[N+](=O)[O-] ZINC000584610467 358273893 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CCOC(=O)c1cc([N+](=O)[O-])cc(N)c1F ZINC000062350477 170293197 /nfs/dbraw/zinc/29/31/97/170293197.db2.gz ZVJLJDYGCYLBRU-UHFFFAOYSA-N 0 0 228.179 1.493 10 5 BDBERN CCc1nn(C)c(N[C@@H]2C[C@@H]2C)c1[N+](=O)[O-] ZINC000085020923 172039375 /nfs/dbraw/zinc/03/93/75/172039375.db2.gz WWFMWJQHEJPLJU-POYBYMJQSA-N 0 0 224.264 1.711 10 5 BDBERN CN(C)C(=O)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000089195115 172392930 /nfs/dbraw/zinc/39/29/30/172392930.db2.gz DSAKLGYWAZXFAD-UHFFFAOYSA-N 0 0 234.215 1.173 10 5 BDBERN CN1CCO[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000031600301 173102226 /nfs/dbraw/zinc/10/22/26/173102226.db2.gz GCFFSSQJMFZPCE-SNVBAGLBSA-N 0 0 208.217 1.555 10 5 BDBERN COc1ccc2c(c1)OC[C@H]([N+](=O)[O-])C2 ZINC000090548463 175213771 /nfs/dbraw/zinc/21/37/71/175213771.db2.gz FGEAPNILGZGZED-MRVPVSSYSA-N 0 0 209.201 1.275 10 5 BDBERN COc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000038813312 175284879 /nfs/dbraw/zinc/28/48/79/175284879.db2.gz JOEAKXSGMBTWKW-UHFFFAOYSA-N 0 0 231.229 1.007 10 5 BDBERN COc1cnnc2cc([N+](=O)[O-])ccc21 ZINC000299889434 175387569 /nfs/dbraw/zinc/38/75/69/175387569.db2.gz JJESAPXBBBVTMO-UHFFFAOYSA-N 0 0 205.173 1.547 10 5 BDBERN C[C@@H](CCO)Nc1cc(F)ccc1[N+](=O)[O-] ZINC000133367691 175683188 /nfs/dbraw/zinc/68/31/88/175683188.db2.gz NKALZGIFRIZWCX-ZETCQYMHSA-N 0 0 228.223 1.917 10 5 BDBERN C[C@H](NC(=O)c1cc(N)ccc1[N+](=O)[O-])C1CC1 ZINC000050702385 176816772 /nfs/dbraw/zinc/81/67/72/176816772.db2.gz JFJNRTHEHWJIEC-ZETCQYMHSA-N 0 0 249.270 1.705 10 5 BDBERN C[C@H]1CCCN1CC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000037911687 177109751 /nfs/dbraw/zinc/10/97/51/177109751.db2.gz FUROFPGEJRWUBB-QMMMGPOBSA-N 0 0 237.259 1.590 10 5 BDBERN C[C@H]1C[C@H]1NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000170805775 177383960 /nfs/dbraw/zinc/38/39/60/177383960.db2.gz XSEYCVUZJGWLGT-WCBMZHEXSA-N 0 0 249.270 1.802 10 5 BDBERN C[C@H]1NC(=O)CC[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000281591583 177394318 /nfs/dbraw/zinc/39/43/18/177394318.db2.gz HCSMUIGVWRWKEO-LDYMZIIASA-N 0 0 249.270 1.674 10 5 BDBERN C[C@H]1CC[C@H](O)CN1c1ccccc1[N+](=O)[O-] ZINC000399321828 262782140 /nfs/dbraw/zinc/78/21/40/262782140.db2.gz IUOGEVLTRHLTMS-UWVGGRQHSA-N 0 0 236.271 1.944 10 5 BDBERN Cn1ncc([N+](=O)[O-])c1C1=CCCCC(=O)C1 ZINC000584645409 490204251 /nfs/dbraw/zinc/20/42/51/490204251.db2.gz UEGHOWVBGBNGHO-UHFFFAOYSA-N 0 0 235.243 1.855 10 5 BDBERN COC[C@H](O)CN(C)c1cccc([N+](=O)[O-])c1 ZINC000042525475 518093914 /nfs/dbraw/zinc/09/39/14/518093914.db2.gz WCEKSCFDBCJVCZ-LLVKDONJSA-N 0 0 240.259 1.038 10 5 BDBERN C[C@@H](O)[C@@H](C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000346362461 637090273 /nfs/dbraw/zinc/09/02/73/637090273.db2.gz BQZQTPBNZBLFKT-PHDIDXHHSA-N 0 0 244.272 1.155 10 5 BDBERN C/C=C\S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000096838607 644841936 /nfs/dbraw/zinc/84/19/36/644841936.db2.gz IPMLCLMZFWTSMA-UQCOIBPSSA-N 0 0 227.241 1.902 10 5 BDBERN Cc1ccc([N+](=O)[O-])c(NC2CC(C(N)=O)C2)c1 ZINC000716682728 712570059 /nfs/dbraw/zinc/57/00/59/712570059.db2.gz DUBZPERSGHSSKS-UHFFFAOYSA-N 0 0 249.270 1.579 10 5 BDBERN C[N+](C)(C)Cc1ccc(O)c(C(=O)[O-])c1 ZINC000238485246 717161811 /nfs/dbraw/zinc/16/18/11/717161811.db2.gz NDROWLZANJVFHB-UHFFFAOYSA-O 0 0 210.253 1.297 10 5 BDBERN Cc1ccc(-n2cc(CCO)nn2)c([N+](=O)[O-])c1 ZINC000052221053 178346100 /nfs/dbraw/zinc/34/61/00/178346100.db2.gz ZRUKGDJXXCPVRF-UHFFFAOYSA-N 0 0 248.242 1.019 10 5 BDBERN CCCN1Cc2cc([N+](=O)[O-])ccc2C1=O ZINC000034519282 538954459 /nfs/dbraw/zinc/95/44/59/538954459.db2.gz CSUGKIQFYBLWBN-UHFFFAOYSA-N 0 0 220.228 1.961 10 5 BDBERN CNC(=O)c1cc(C)c([N+](=O)[O-])c(C)c1 ZINC000145247162 342760509 /nfs/dbraw/zinc/76/05/09/342760509.db2.gz XXQAKCBNKZRNSO-UHFFFAOYSA-N 0 0 208.217 1.571 10 5 BDBERN CC1(C)CN=Cc2cc([N+](=O)[O-])cnc21 ZINC000145619907 342761002 /nfs/dbraw/zinc/76/10/02/342761002.db2.gz WJGTUKIRSVMIIJ-UHFFFAOYSA-N 0 0 205.217 1.700 10 5 BDBERN CCN(CC)[C@H]1C(=O)Nc2ccc([N+](=O)[O-])cc21 ZINC000106485785 398284669 /nfs/dbraw/zinc/28/46/69/398284669.db2.gz DNYUCQMQRLTHDG-LLVKDONJSA-N 0 0 249.270 1.930 10 5 BDBERN O=[N+]([O-])C[C@@H](O)c1ccc(Br)cc1 ZINC000035994287 342821730 /nfs/dbraw/zinc/82/17/30/342821730.db2.gz YMNZDCGZFNOZDK-MRVPVSSYSA-N 0 0 246.060 1.759 10 5 BDBERN C[C@@H]1OCC[C@H]1Nc1ccncc1[N+](=O)[O-] ZINC000134572595 342869244 /nfs/dbraw/zinc/86/92/44/342869244.db2.gz ZVFRZMREGUMBLG-JGVFFNPUSA-N 0 0 223.232 1.579 10 5 BDBERN O=[N+]([O-])c1cc(CO)ncc1OC(F)(F)F ZINC000309224599 342915327 /nfs/dbraw/zinc/91/53/27/342915327.db2.gz SMHLFBXWXQHYER-UHFFFAOYSA-N 0 0 238.121 1.381 10 5 BDBERN CC1(C)Oc2ccc([N+](=O)[O-])cc2-n2nnnc21 ZINC000116984865 342940314 /nfs/dbraw/zinc/94/03/14/342940314.db2.gz KGWXHBFMXRWWCA-UHFFFAOYSA-N 0 0 247.214 1.198 10 5 BDBERN O=c1cccnn1-c1ccc([N+](=O)[O-])cc1 ZINC000142851470 343113807 /nfs/dbraw/zinc/11/38/07/343113807.db2.gz QYZVVJCMXVGPKF-UHFFFAOYSA-N 0 0 217.184 1.141 10 5 BDBERN Cc1cc(C(=O)N(C)C)cc(C)c1[N+](=O)[O-] ZINC000145173904 343146986 /nfs/dbraw/zinc/14/69/86/343146986.db2.gz NCCQXKUPCNNMDL-UHFFFAOYSA-N 0 0 222.244 1.913 10 5 BDBERN CCCCC(=O)Nc1ncc([N+](=O)[O-])cn1 ZINC000148702580 343394700 /nfs/dbraw/zinc/39/47/00/343394700.db2.gz RSWWSGWPCKEEOF-UHFFFAOYSA-N 0 0 224.220 1.514 10 5 BDBERN C[C@@H]1OCC[C@@H]1Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000310292075 343412004 /nfs/dbraw/zinc/41/20/04/343412004.db2.gz ZLPMXQSEKCVSEN-XPUUQOCRSA-N 0 0 238.247 1.161 10 5 BDBERN COc1c(OC(F)(F)F)cncc1[N+](=O)[O-] ZINC000309365180 347041767 /nfs/dbraw/zinc/04/17/67/347041767.db2.gz OACDDBVICQEDMB-UHFFFAOYSA-N 0 0 238.121 1.897 10 5 BDBERN O=[N+]([O-])c1ccc(NCC2CC(O)C2)cc1 ZINC000084448777 344431981 /nfs/dbraw/zinc/43/19/81/344431981.db2.gz DTPWPBYWQFEANH-UHFFFAOYSA-N 0 0 222.244 1.778 10 5 BDBERN C[C@@H](O)CCNc1cc(F)ccc1[N+](=O)[O-] ZINC000082997692 345799324 /nfs/dbraw/zinc/79/93/24/345799324.db2.gz FGFJHYJPYIWSIO-SSDOTTSWSA-N 0 0 228.223 1.917 10 5 BDBERN Cc1ccc([N+](=O)[O-])c(OC[C@@H]2CO2)c1 ZINC000006070653 178930577 /nfs/dbraw/zinc/93/05/77/178930577.db2.gz APVPMIZSQOAPIX-QMMMGPOBSA-N 0 0 209.201 1.681 10 5 BDBERN CC(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000034119904 346202408 /nfs/dbraw/zinc/20/24/08/346202408.db2.gz AAXBMKYEADPDFG-UHFFFAOYSA-N 0 0 239.187 1.770 10 5 BDBERN CC(=O)O[C@@H](C[N+](=O)[O-])c1ccccc1 ZINC000034481501 346295741 /nfs/dbraw/zinc/29/57/41/346295741.db2.gz KLRRMXJMKKIHRU-JTQLQIEISA-N 0 0 209.201 1.568 10 5 BDBERN CC(=O)c1cc(Br)ncc1[N+](=O)[O-] ZINC000585681338 346653528 /nfs/dbraw/zinc/65/35/28/346653528.db2.gz MCPWUVSZZXXFNS-UHFFFAOYSA-N 0 0 245.032 1.955 10 5 BDBERN O=[N+]([O-])c1cnccc1-c1cncnc1 ZINC000616569405 347698580 /nfs/dbraw/zinc/69/85/80/347698580.db2.gz KEAVATWQFRZAHY-UHFFFAOYSA-N 0 0 202.173 1.447 10 5 BDBERN Cc1ccnn1CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000073199843 179499861 /nfs/dbraw/zinc/49/98/61/179499861.db2.gz YVCJNMIEGHZDHT-UHFFFAOYSA-N 0 0 245.238 1.983 10 5 BDBERN O=CC[C@H](C[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000205659697 348570357 /nfs/dbraw/zinc/57/03/57/348570357.db2.gz ICYVGMAXFDUQJJ-SECBINFHSA-N 0 0 238.199 1.544 10 5 BDBERN C[C@H](Nc1cccc([N+](=O)[O-])c1)N1CCCC1=O ZINC000198944671 349044404 /nfs/dbraw/zinc/04/44/04/349044404.db2.gz UUABOAYVPAOTOI-SECBINFHSA-N 0 0 249.270 1.975 10 5 BDBERN C[C@H](O)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000198888790 349013514 /nfs/dbraw/zinc/01/35/14/349013514.db2.gz YANYHLFQQYCCPL-XVKPBYJWSA-N 0 0 211.217 1.399 10 5 BDBERN O=[N+]([O-])c1ccccc1N[C@H]1CCOC[C@@H]1O ZINC000599178366 349121001 /nfs/dbraw/zinc/12/10/01/349121001.db2.gz KIJZTLYLKCRPIO-ONGXEEELSA-N 0 0 238.243 1.157 10 5 BDBERN CCOC(=O)Cc1cccc([N+](=O)[O-])c1F ZINC000616578248 349123890 /nfs/dbraw/zinc/12/38/90/349123890.db2.gz PTIWRWUPEFMOSN-UHFFFAOYSA-N 0 0 227.191 1.840 10 5 BDBERN Cc1nc2[nH]c(=O)c([N+](=O)[O-])cc2s1 ZINC000089229506 180113884 /nfs/dbraw/zinc/11/38/84/180113884.db2.gz JJQHRXOOQQZBOO-UHFFFAOYSA-N 0 0 211.202 1.614 10 5 BDBERN Cc1ncc2c(n1)c1ccccc1[nH]c2=O ZINC000072416407 180175464 /nfs/dbraw/zinc/17/54/64/180175464.db2.gz FFUBCQSHQPLZCT-UHFFFAOYSA-N 0 0 211.224 1.780 10 5 BDBERN Cc1nn(CC(=O)c2ccco2)c(C)c1[N+](=O)[O-] ZINC000047819254 180386086 /nfs/dbraw/zinc/38/60/86/180386086.db2.gz QDLHMUUINQDYJE-UHFFFAOYSA-N 0 0 249.226 1.884 10 5 BDBERN O=[N+]([O-])c1cnc(Br)cc1CO ZINC000306723512 350884760 /nfs/dbraw/zinc/88/47/60/350884760.db2.gz RYVZPAMOJAHVEA-UHFFFAOYSA-N 0 0 233.021 1.245 10 5 BDBERN CSc1ncnc(Cl)c1[N+](=O)[O-] ZINC000034728038 351150386 /nfs/dbraw/zinc/15/03/86/351150386.db2.gz PDBISOLUMMOPAT-UHFFFAOYSA-N 0 0 205.626 1.760 10 5 BDBERN NN=c1[nH]c2c(cccc2[N+](=O)[O-])s1 ZINC000045237203 352590635 /nfs/dbraw/zinc/59/06/35/352590635.db2.gz AVDOFMGETZDDRR-UHFFFAOYSA-N 0 0 210.218 1.490 10 5 BDBERN CCCc1nn(C)c(NO)c1[N+](=O)[O-] ZINC000307586055 352660559 /nfs/dbraw/zinc/66/05/59/352660559.db2.gz OLUNFSQJXUAMNZ-UHFFFAOYSA-N 0 0 200.198 1.082 10 5 BDBERN CC(=O)n1cnc2c1cccc2[N+](=O)[O-] ZINC000089194989 187972576 /nfs/dbraw/zinc/97/25/76/187972576.db2.gz QBRBGYWGIZMFDQ-UHFFFAOYSA-N 0 0 205.173 1.605 10 5 BDBERN CC1(C)C[C@H]1NC(=O)c1cc(N)ccc1[N+](=O)[O-] ZINC000050707807 187953304 /nfs/dbraw/zinc/95/33/04/187953304.db2.gz ZUWKYLAHHLIUCF-SNVBAGLBSA-N 0 0 249.270 1.705 10 5 BDBERN Cn1ncnc1CNc1sccc1[N+](=O)[O-] ZINC000302041591 180856853 /nfs/dbraw/zinc/85/68/53/180856853.db2.gz WPJMUFFRBDRBBA-UHFFFAOYSA-N 0 0 239.260 1.397 10 5 BDBERN COc1cc(SCCO)cc([N+](=O)[O-])c1 ZINC000087797388 355856836 /nfs/dbraw/zinc/85/68/36/355856836.db2.gz JXGXXDQYLAMHAO-UHFFFAOYSA-N 0 0 229.257 1.688 10 5 BDBERN CCOC(=O)c1cc(N)cc([N+](=O)[O-])c1OC ZINC000137540680 356470588 /nfs/dbraw/zinc/47/05/88/356470588.db2.gz WNMHRQQKLDQYPB-UHFFFAOYSA-N 0 0 240.215 1.362 10 5 BDBERN O=[N+]([O-])c1ccc2nn([N+](=O)[O-])c(Cl)c2c1 ZINC000001572341 356966461 /nfs/dbraw/zinc/96/64/61/356966461.db2.gz TZUUMLAKXRSPRV-UHFFFAOYSA-N 0 0 242.578 1.638 10 5 BDBERN O=[N+]([O-])c1ccccc1CN1CCC=N1 ZINC000584613467 358277661 /nfs/dbraw/zinc/27/76/61/358277661.db2.gz IXLWKBRHCSFYBI-UHFFFAOYSA-N 0 0 205.217 1.786 10 5 BDBERN Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1-n1cncn1 ZINC000584613580 358278111 /nfs/dbraw/zinc/27/81/11/358278111.db2.gz XSTPLRQIJYIYKA-UHFFFAOYSA-N 0 0 249.186 1.392 10 5 BDBERN C[C@@H](O)Cn1cc2cc([N+](=O)[O-])ccc2n1 ZINC000584626255 358295807 /nfs/dbraw/zinc/29/58/07/358295807.db2.gz JVCRVPOWBIKASQ-SSDOTTSWSA-N 0 0 221.216 1.325 10 5 BDBERN O=[N+]([O-])c1n[nH]c([N+](=O)[O-])c1N1CCCCC1 ZINC000584651911 358306815 /nfs/dbraw/zinc/30/68/15/358306815.db2.gz INDXSOVGMMGIEE-UHFFFAOYSA-N 0 0 241.207 1.216 10 5 BDBERN O=[N+]([O-])c1ccc(F)c(N2CCOCC2)c1F ZINC000584633460 358316864 /nfs/dbraw/zinc/31/68/64/358316864.db2.gz NJKZZVAAOQGGGF-UHFFFAOYSA-N 0 0 244.197 1.710 10 5 BDBERN CNc1ccc(Br)nc1[N+](=O)[O-] ZINC000306175603 358982815 /nfs/dbraw/zinc/98/28/15/358982815.db2.gz WVMVIGBHKDFELL-UHFFFAOYSA-N 0 0 232.037 1.794 10 5 BDBERN CCOC(=O)[C@H](N)Cc1ccccc1[N+](=O)[O-] ZINC000069553657 359320176 /nfs/dbraw/zinc/32/01/76/359320176.db2.gz BEXGIUAYHSHIDA-SECBINFHSA-N 0 0 238.243 1.028 10 5 BDBERN O=[N+]([O-])c1cc(CO)cc([N+](=O)[O-])c1Cl ZINC000141490622 359600782 /nfs/dbraw/zinc/60/07/82/359600782.db2.gz JSWXECGTXNKQFJ-UHFFFAOYSA-N 0 0 232.579 1.649 10 5 BDBERN O=CNc1ccc(Br)nc1[N+](=O)[O-] ZINC000306333561 359632921 /nfs/dbraw/zinc/63/29/21/359632921.db2.gz FGAKPHQUXQUTHW-UHFFFAOYSA-N 0 0 246.020 1.321 10 5 BDBERN O=[N+]([O-])c1n[nH]cc1N[C@@H]1CCSC1 ZINC000306584027 360483856 /nfs/dbraw/zinc/48/38/56/360483856.db2.gz FXHYADQBMNUISL-RXMQYKEDSA-N 0 0 214.250 1.235 10 5 BDBERN O=[N+]([O-])c1cncc(OC(F)(F)F)c1 ZINC000238544143 361147000 /nfs/dbraw/zinc/14/70/00/361147000.db2.gz XBAXFOSXNZYUPS-UHFFFAOYSA-N 0 0 208.095 1.888 10 5 BDBERN O=c1[nH]ccc([N+](=O)[O-])c1OC(F)(F)F ZINC000238710672 361364772 /nfs/dbraw/zinc/36/47/72/361364772.db2.gz NZHMUHLDEIRDHZ-UHFFFAOYSA-N 0 0 224.094 1.594 10 5 BDBERN O=[N+]([O-])c1ccc(Cl)nc1-n1ccnc1 ZINC000037066137 361623018 /nfs/dbraw/zinc/62/30/18/361623018.db2.gz OECBHHMISRFBRE-UHFFFAOYSA-N 0 0 224.607 1.829 10 5 BDBERN NNCc1ccc([N+](=O)[O-])cc1Br ZINC000037460562 364045344 /nfs/dbraw/zinc/04/53/44/364045344.db2.gz WLPGOHJSTOOECX-UHFFFAOYSA-N 0 0 246.064 1.321 10 5 BDBERN O=[N+]([O-])c1ccc(O[C@@H]2CCC[C@H]2O)cc1 ZINC000037695574 364526506 /nfs/dbraw/zinc/52/65/06/364526506.db2.gz MDAMELCGMCPLKH-GHMZBOCLSA-N 0 0 223.228 1.887 10 5 BDBERN Cn1ccc(-c2ccc([N+](=O)[O-])nc2)n1 ZINC000685947584 541496792 /nfs/dbraw/zinc/49/67/92/541496792.db2.gz XQJOOKYRDRXGDJ-UHFFFAOYSA-N 0 0 204.189 1.390 10 5 BDBERN COCc1cccc(C(=O)OC)c1[N+](=O)[O-] ZINC000059757855 368335997 /nfs/dbraw/zinc/33/59/97/368335997.db2.gz DIAPHJUVXVZPIF-UHFFFAOYSA-N 0 0 225.200 1.528 10 5 BDBERN Cc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000222182836 368362284 /nfs/dbraw/zinc/36/22/84/368362284.db2.gz AATNKYSDRRZUEE-UHFFFAOYSA-N 0 0 236.271 1.735 10 5 BDBERN O=[N+]([O-])c1cc[n+]([O-])cc1Nc1ccccc1 ZINC000034566801 368376163 /nfs/dbraw/zinc/37/61/63/368376163.db2.gz DOKXFGLYRTUOAE-UHFFFAOYSA-N 0 0 231.211 1.972 10 5 BDBERN Nc1ccccc1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000036277946 181755708 /nfs/dbraw/zinc/75/57/08/181755708.db2.gz UJHMYTIWRCVDMP-UHFFFAOYSA-N 0 0 246.226 1.757 10 5 BDBERN Nc1ccnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050846978 181762034 /nfs/dbraw/zinc/76/20/34/181762034.db2.gz DXXLPEXSXMDQOD-UHFFFAOYSA-N 0 0 216.200 1.634 10 5 BDBERN C[C@@H]1C[C@H](O)CCN1c1ncccc1[N+](=O)[O-] ZINC000601214165 371738616 /nfs/dbraw/zinc/73/86/16/371738616.db2.gz RGYUGDRTACKTMJ-RKDXNWHRSA-N 0 0 237.259 1.339 10 5 BDBERN Nc1nnc(-c2cc(F)ccc2[N+](=O)[O-])o1 ZINC000037669234 181811951 /nfs/dbraw/zinc/81/19/51/181811951.db2.gz AYSBZBBZCHFBRJ-UHFFFAOYSA-N 0 0 224.151 1.366 10 5 BDBERN CC[C@@](C)(CCO)Nc1ncccc1[N+](=O)[O-] ZINC000230216190 371871423 /nfs/dbraw/zinc/87/14/23/371871423.db2.gz YQIBIBNDNCYHIZ-NSHDSACASA-N 0 0 239.275 1.953 10 5 BDBERN O=[N+]([O-])c1cccnc1N[C@H]1CCC[C@H](O)C1 ZINC000603866291 371938241 /nfs/dbraw/zinc/93/82/41/371938241.db2.gz ZRKCBJSNWNVASM-IUCAKERBSA-N 0 0 237.259 1.705 10 5 BDBERN Cn1cnc([N+](=O)[O-])c1N[C@H]1CCC[C@H](O)C1 ZINC000603865886 371938468 /nfs/dbraw/zinc/93/84/68/371938468.db2.gz SDCACUOWKXYVSM-YUMQZZPRSA-N 0 0 240.263 1.044 10 5 BDBERN O=[N+]([O-])c1ccc(-c2c[nH]c(CO)n2)cc1 ZINC000068945780 182926085 /nfs/dbraw/zinc/92/60/85/182926085.db2.gz BMCMJEQUDZRMJC-UHFFFAOYSA-N 0 0 219.200 1.477 10 5 BDBERN O=[N+]([O-])c1ccnc(NCc2ccccn2)c1 ZINC000043567680 182954488 /nfs/dbraw/zinc/95/44/88/182954488.db2.gz VLSFWBZNKOYNCU-UHFFFAOYSA-N 0 0 230.227 1.997 10 5 BDBERN O=c1cc[nH]c(-c2cccc([N+](=O)[O-])c2)c1 ZINC000065355809 182995765 /nfs/dbraw/zinc/99/57/65/182995765.db2.gz NBNLICAQOZVCKC-UHFFFAOYSA-N 0 0 216.196 1.950 10 5 BDBERN CCCNC(=O)c1ccc([N+](=O)[O-])c(N)c1 ZINC000054414310 169251504 /nfs/dbraw/zinc/25/15/04/169251504.db2.gz AXXZBSVDRIBFBY-UHFFFAOYSA-N 0 0 223.232 1.317 10 5 BDBERN CCC[NH2+]Cc1ccc([N+](=O)[O-])c([O-])c1 ZINC000050517065 169268517 /nfs/dbraw/zinc/26/85/17/169268517.db2.gz XJQATOZJVMNMLB-UHFFFAOYSA-N 0 0 210.233 1.800 10 5 BDBERN c1nnc2nc3c4ccccc4[nH]c3nn12 ZINC000072416602 384120142 /nfs/dbraw/zinc/12/01/42/384120142.db2.gz LLHGWWQWFPTMBI-UHFFFAOYSA-N 0 0 210.200 1.154 10 5 BDBERN O=Cc1cc(C(F)F)cc(CO)c1[N+](=O)[O-] ZINC000575669352 384452462 /nfs/dbraw/zinc/45/24/62/384452462.db2.gz SYGBTFJJUTUQJC-UHFFFAOYSA-N 0 0 231.154 1.837 10 5 BDBERN CC(=O)c1cc([N+](=O)[O-])cc(OC(F)F)c1N ZINC000575716854 384879103 /nfs/dbraw/zinc/87/91/03/384879103.db2.gz KLZMUWLXSXPWOP-UHFFFAOYSA-N 0 0 246.169 1.981 10 5 BDBERN Cc1cc(C(=O)N[C@@H]2C[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000104896539 384849186 /nfs/dbraw/zinc/84/91/86/384849186.db2.gz CYIBFBBRFDHHKI-IONNQARKSA-N 0 0 249.270 1.624 10 5 BDBERN COc1c(Cl)ccc(N)c1[N+](=O)[O-] ZINC000575720007 384893585 /nfs/dbraw/zinc/89/35/85/384893585.db2.gz DEEJGWVCXFIADD-UHFFFAOYSA-N 0 0 202.597 1.839 10 5 BDBERN COC(=O)Cc1c(N)c(Cl)ccc1[N+](=O)[O-] ZINC000575727503 384915991 /nfs/dbraw/zinc/91/59/91/384915991.db2.gz YTSHDCGGDHFBJR-UHFFFAOYSA-N 0 0 244.634 1.546 10 5 BDBERN COC(=O)c1cc(N)c(F)c([N+](=O)[O-])c1 ZINC000062350369 385130763 /nfs/dbraw/zinc/13/07/63/385130763.db2.gz LZASCJLZDYWWNL-UHFFFAOYSA-N 0 0 214.152 1.103 10 5 BDBERN C[C@H](CO)Nc1cc(F)ccc1[N+](=O)[O-] ZINC000052119501 385168004 /nfs/dbraw/zinc/16/80/04/385168004.db2.gz JRQLMASGTMBJTF-ZCFIWIBFSA-N 0 0 214.196 1.527 10 5 BDBERN C[C@H]1C[C@H]1Nc1ccc(N)cc1[N+](=O)[O-] ZINC000287954048 385256865 /nfs/dbraw/zinc/25/68/65/385256865.db2.gz QPZRHHXYXBCSFV-IMTBSYHQSA-N 0 0 207.233 1.997 10 5 BDBERN Cn1cc([N+](=O)[O-])cc(C(F)(F)F)c1=O ZINC000299888962 385556900 /nfs/dbraw/zinc/55/69/00/385556900.db2.gz BFLLDGRXHRIPSQ-UHFFFAOYSA-N 0 0 222.122 1.312 10 5 BDBERN CC[C@H](Nc1ccc([N+](=O)[O-])c(C)c1)C(N)=O ZINC000292188779 385614000 /nfs/dbraw/zinc/61/40/00/385614000.db2.gz BMYSQPVGRDGQRW-VIFPVBQESA-N 0 0 237.259 1.579 10 5 BDBERN CNc1ccc(C(=O)N[C@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000052303104 385724821 /nfs/dbraw/zinc/72/48/21/385724821.db2.gz FBASRZYXQINOHR-XCBNKYQSSA-N 0 0 249.270 1.775 10 5 BDBERN O=[N+]([O-])c1ccc(NCC[C@@H]2CCCO2)nc1 ZINC000037981308 385841860 /nfs/dbraw/zinc/84/18/60/385841860.db2.gz SZPUQXNVHPRIFD-JTQLQIEISA-N 0 0 237.259 1.971 10 5 BDBERN Cc1c(Cl)ccc([N+](=O)[O-])c1C(N)=O ZINC000307183135 386139768 /nfs/dbraw/zinc/13/97/68/386139768.db2.gz WYXIYNXKWYNKJN-UHFFFAOYSA-N 0 0 214.608 1.656 10 5 BDBERN C[C@H](CCO)Nc1cc(F)ccc1[N+](=O)[O-] ZINC000133367901 386319116 /nfs/dbraw/zinc/31/91/16/386319116.db2.gz NKALZGIFRIZWCX-SSDOTTSWSA-N 0 0 228.223 1.917 10 5 BDBERN Cc1nc(Cl)nc(NCCF)c1[N+](=O)[O-] ZINC000307416561 386648945 /nfs/dbraw/zinc/64/89/45/386648945.db2.gz VPLJDTYOAMDLOU-UHFFFAOYSA-N 0 0 234.618 1.728 10 5 BDBERN O=[N+]([O-])c1c(F)c(CO)ccc1OC(F)F ZINC000575661059 387051613 /nfs/dbraw/zinc/05/16/13/387051613.db2.gz HMRUVACQRCZDSM-UHFFFAOYSA-N 0 0 237.133 1.828 10 5 BDBERN O=[N+]([O-])c1c(F)ccc(CO)c1OC(F)F ZINC000575661354 387059368 /nfs/dbraw/zinc/05/93/68/387059368.db2.gz MIJVMHPCZXEYBC-UHFFFAOYSA-N 0 0 237.133 1.828 10 5 BDBERN Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1CCO ZINC000205148899 387060060 /nfs/dbraw/zinc/06/00/60/387060060.db2.gz YJCWLPYATMPSNH-UHFFFAOYSA-N 0 0 226.188 1.346 10 5 BDBERN O=[N+]([O-])c1cc(CO)cc(OC(F)F)c1F ZINC000575661318 387070116 /nfs/dbraw/zinc/07/01/16/387070116.db2.gz LKYDYSKUPKAECO-UHFFFAOYSA-N 0 0 237.133 1.828 10 5 BDBERN COC(=O)[C@@H]1Cc2cccc([N+](=O)[O-])c2C1 ZINC000071624376 387123841 /nfs/dbraw/zinc/12/38/41/387123841.db2.gz KRHARWFTTQYZPM-MRVPVSSYSA-N 0 0 221.212 1.483 10 5 BDBERN CCOC(=O)c1cncc([N+](=O)[O-])c1OC ZINC000575442025 387138720 /nfs/dbraw/zinc/13/87/20/387138720.db2.gz OPLGAWBBMHYNEG-UHFFFAOYSA-N 0 0 226.188 1.175 10 5 BDBERN Cc1ccc(CO)c([N+](=O)[O-])c1OC(F)F ZINC000575666152 387313030 /nfs/dbraw/zinc/31/30/30/387313030.db2.gz GVUYPZYSRYBCMW-UHFFFAOYSA-N 0 0 233.170 1.997 10 5 BDBERN COc1c(CO)cc(OC(F)F)cc1[N+](=O)[O-] ZINC000575665135 387314295 /nfs/dbraw/zinc/31/42/95/387314295.db2.gz OIWDSXQGEMFGSS-UHFFFAOYSA-N 0 0 249.169 1.697 10 5 BDBERN COc1cc([N+](=O)[O-])c(OC(F)F)cc1CO ZINC000575664015 387291062 /nfs/dbraw/zinc/29/10/62/387291062.db2.gz ANHOTPCNCSDMPP-UHFFFAOYSA-N 0 0 249.169 1.697 10 5 BDBERN COc1c(CO)ccc([N+](=O)[O-])c1OC(F)F ZINC000575664477 387291593 /nfs/dbraw/zinc/29/15/93/387291593.db2.gz GMBSVYAAHMDURR-UHFFFAOYSA-N 0 0 249.169 1.697 10 5 BDBERN COC(=O)Cc1c(OC)cc(C)cc1[N+](=O)[O-] ZINC000575677869 387359413 /nfs/dbraw/zinc/35/94/13/387359413.db2.gz GWAHMHFHXOZZEA-UHFFFAOYSA-N 0 0 239.227 1.627 10 5 BDBERN COC(=O)c1cc(OC)c([N+](=O)[O-])cc1OC ZINC000575679576 387361035 /nfs/dbraw/zinc/36/10/35/387361035.db2.gz YXGXFJOGPCODQS-UHFFFAOYSA-N 0 0 241.199 1.399 10 5 BDBERN COC(=O)c1cc(C)c(OC)cc1[N+](=O)[O-] ZINC000575679534 387361197 /nfs/dbraw/zinc/36/11/97/387361197.db2.gz WIXQYHOABWHYGS-UHFFFAOYSA-N 0 0 225.200 1.698 10 5 BDBERN Cc1c(OC(F)F)cc(C(N)=O)cc1[N+](=O)[O-] ZINC000575668333 387325611 /nfs/dbraw/zinc/32/56/11/387325611.db2.gz VFCAJCGYLLGUIJ-UHFFFAOYSA-N 0 0 246.169 1.604 10 5 BDBERN COc1ccc([N+](=O)[O-])c(OC)c1C(C)=O ZINC000575672724 387339812 /nfs/dbraw/zinc/33/98/12/387339812.db2.gz JVDQYKVPFBEDEY-UHFFFAOYSA-N 0 0 225.200 1.815 10 5 BDBERN O=C1NC[C@H](c2ccc([N+](=O)[O-])cc2)O1 ZINC000075456245 387351823 /nfs/dbraw/zinc/35/18/23/387351823.db2.gz CTFTUSRDHUBLDW-MRVPVSSYSA-N 0 0 208.173 1.376 10 5 BDBERN COc1cc(C(C)=O)c(N)cc1[N+](=O)[O-] ZINC000575717100 387435303 /nfs/dbraw/zinc/43/53/03/387435303.db2.gz RHPCFLYDJLSNBF-UHFFFAOYSA-N 0 0 210.189 1.388 10 5 BDBERN COc1cc(N)c(C(C)=O)cc1[N+](=O)[O-] ZINC000575717785 387436593 /nfs/dbraw/zinc/43/65/93/387436593.db2.gz ZQFHBORCOFUHOV-UHFFFAOYSA-N 0 0 210.189 1.388 10 5 BDBERN CCOC(=O)c1ccc([N+](=O)[O-])c(N)c1OC ZINC000575724887 387459300 /nfs/dbraw/zinc/45/93/00/387459300.db2.gz MRBNVIRHYQZXOM-UHFFFAOYSA-N 0 0 240.215 1.362 10 5 BDBERN CCc1cc([N+](=O)[O-])c(C[NH3+])cc1OC ZINC000575725905 387459962 /nfs/dbraw/zinc/45/99/62/387459962.db2.gz OXEUWFMZPWMBJB-UHFFFAOYSA-N 0 0 210.233 1.625 10 5 BDBERN CCOc1cc(C(N)=O)cc(C)c1[N+](=O)[O-] ZINC000575698731 387390869 /nfs/dbraw/zinc/39/08/69/387390869.db2.gz HQFSFHUMTBRXTO-UHFFFAOYSA-N 0 0 224.216 1.401 10 5 BDBERN CCOc1cc([N+](=O)[O-])cc(C(N)=O)c1F ZINC000575695790 387396229 /nfs/dbraw/zinc/39/62/29/387396229.db2.gz GLASSGCSQRDUIO-UHFFFAOYSA-N 0 0 228.179 1.232 10 5 BDBERN CCOc1cc(C(N)=O)c([N+](=O)[O-])cc1CC ZINC000575697133 387398959 /nfs/dbraw/zinc/39/89/59/387398959.db2.gz UZRPNJQSCBNJBU-UHFFFAOYSA-N 0 0 238.243 1.655 10 5 BDBERN COc1c(F)ccc(C(C)=O)c1[N+](=O)[O-] ZINC000575707479 387410848 /nfs/dbraw/zinc/41/08/48/387410848.db2.gz APRBJJWWCYFTOQ-UHFFFAOYSA-N 0 0 213.164 1.945 10 5 BDBERN Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1O ZINC000575727917 387464836 /nfs/dbraw/zinc/46/48/36/387464836.db2.gz LARGPZXDSZMQPI-UHFFFAOYSA-N 0 0 222.122 1.901 10 5 BDBERN Nc1c(O)c(OC(F)(F)F)ccc1[N+](=O)[O-] ZINC000575728416 387464950 /nfs/dbraw/zinc/46/49/50/387464950.db2.gz OWEORAPCZGZPBR-UHFFFAOYSA-N 0 0 238.121 1.781 10 5 BDBERN Nc1cc(OC(F)(F)F)c(O)cc1[N+](=O)[O-] ZINC000575729354 387468382 /nfs/dbraw/zinc/46/83/82/387468382.db2.gz YFTPEDVUKQTDGS-UHFFFAOYSA-N 0 0 238.121 1.781 10 5 BDBERN O=[N+]([O-])c1cnc(Nc2cccnc2)nc1 ZINC000091302108 388613410 /nfs/dbraw/zinc/61/34/10/388613410.db2.gz KEABTCUKCXVMBE-UHFFFAOYSA-N 0 0 217.188 1.523 10 5 BDBERN COc1ccc([N+](=O)[O-])c(C(C)=O)c1F ZINC000022009530 388825043 /nfs/dbraw/zinc/82/50/43/388825043.db2.gz MYAJTCUTOOXOPG-UHFFFAOYSA-N 0 0 213.164 1.945 10 5 BDBERN Cc1cc(-c2ccccc2[N+](=O)[O-])nc(N)n1 ZINC000052837918 177687538 /nfs/dbraw/zinc/68/75/38/177687538.db2.gz BFNMGPJXQIENRW-UHFFFAOYSA-N 0 0 230.227 1.942 10 5 BDBERN O=[N+]([O-])c1ccc(F)cc1N1CCC(O)CC1 ZINC000052121481 132229022 /nfs/dbraw/zinc/22/90/22/132229022.db2.gz ZKWZQVBKSGTNMQ-UHFFFAOYSA-N 0 0 240.234 1.695 10 5 BDBERN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2N)CCO1 ZINC000052840060 132362626 /nfs/dbraw/zinc/36/26/26/132362626.db2.gz WOVHCGZHVFAUPQ-MRVPVSSYSA-N 0 0 237.259 1.402 10 5 BDBERN CC(C)[NH2+]Cc1ccc([O-])c([N+](=O)[O-])c1 ZINC000048408656 167119904 /nfs/dbraw/zinc/11/99/04/167119904.db2.gz NUDBHVBDYXWIDJ-UHFFFAOYSA-N 0 0 210.233 1.798 10 5 BDBERN CCNc1cc(C(N)=O)c([N+](=O)[O-])cc1F ZINC000050744528 170171523 /nfs/dbraw/zinc/17/15/23/170171523.db2.gz DKZJQGQUXXYSJT-UHFFFAOYSA-N 0 0 227.195 1.265 10 5 BDBERN CCNc1ccc(Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000050818269 170174449 /nfs/dbraw/zinc/17/44/49/170174449.db2.gz XWMOBUIEAAWDCT-UHFFFAOYSA-N 0 0 247.258 1.666 10 5 BDBERN CCOC(=O)c1cc(N)c(C)c([N+](=O)[O-])c1 ZINC000062350306 170292433 /nfs/dbraw/zinc/29/24/33/170292433.db2.gz CFPDDTNTDFLKEM-UHFFFAOYSA-N 0 0 224.216 1.662 10 5 BDBERN CCOC(=O)c1ccc(COC)c([N+](=O)[O-])c1 ZINC000035333612 170295252 /nfs/dbraw/zinc/29/52/52/170295252.db2.gz DYRHXLFNMOJARG-UHFFFAOYSA-N 0 0 239.227 1.918 10 5 BDBERN CC[C@H](Nc1ccc([N+](=O)[O-])cc1F)C(N)=O ZINC000292261774 171551474 /nfs/dbraw/zinc/55/14/74/171551474.db2.gz IBJNWKKUPAFDJO-QMMMGPOBSA-N 0 0 241.222 1.410 10 5 BDBERN CN(C)C(=O)c1c(F)ccc([N+](=O)[O-])c1F ZINC000089065109 172387432 /nfs/dbraw/zinc/38/74/32/172387432.db2.gz CPKDCQWXLJXPBT-UHFFFAOYSA-N 0 0 230.170 1.575 10 5 BDBERN CNc1cc([N+](=O)[O-])ncc1OC1CC1 ZINC000095729920 173474929 /nfs/dbraw/zinc/47/49/29/173474929.db2.gz LJONTBIJKPTMET-UHFFFAOYSA-N 0 0 209.205 1.573 10 5 BDBERN COC(=O)c1ncc([N+](=O)[O-])cc1Cl ZINC000096028577 173916144 /nfs/dbraw/zinc/91/61/44/173916144.db2.gz CLADMJIWIBSTEZ-UHFFFAOYSA-N 0 0 216.580 1.430 10 5 BDBERN COCCNc1cc(CO)ccc1[N+](=O)[O-] ZINC000302031417 174341114 /nfs/dbraw/zinc/34/11/14/174341114.db2.gz KCTKCTHFQGJBQU-UHFFFAOYSA-N 0 0 226.232 1.145 10 5 BDBERN COCCNc1nc(Cl)nc(C)c1[N+](=O)[O-] ZINC000004243405 174341452 /nfs/dbraw/zinc/34/14/52/174341452.db2.gz QFKQVDDFZMQDRM-UHFFFAOYSA-N 0 0 246.654 1.405 10 5 BDBERN COc1cc([N+](=O)[O-])c(C=O)cc1[N+](=O)[O-] ZINC000098178705 175017418 /nfs/dbraw/zinc/01/74/18/175017418.db2.gz PQLAZBSCSHKYQT-UHFFFAOYSA-N 0 0 226.144 1.324 10 5 BDBERN COc1nccc(OC2CC2)c1[N+](=O)[O-] ZINC000095731590 175404100 /nfs/dbraw/zinc/40/41/00/175404100.db2.gz CFJJAKRJQDRVNG-UHFFFAOYSA-N 0 0 210.189 1.540 10 5 BDBERN C[C@@H](CCO)Nc1cc(CO)ccc1[N+](=O)[O-] ZINC000302017046 175682945 /nfs/dbraw/zinc/68/29/45/175682945.db2.gz COGVHIFWXAKQMY-QMMMGPOBSA-N 0 0 240.259 1.270 10 5 BDBERN C[C@@H]1C[C@@H]1Nc1cc2c(cc1[N+](=O)[O-])CC(=O)N2 ZINC000052290856 176404758 /nfs/dbraw/zinc/40/47/58/176404758.db2.gz LBLWTPDHJUGGFS-SVRRBLITSA-N 0 0 247.254 1.910 10 5 BDBERN C[C@@H](Oc1c(F)cccc1[N+](=O)[O-])[C@H](C)O ZINC000163033304 177005599 /nfs/dbraw/zinc/00/55/99/177005599.db2.gz MACPOIDDMUSFOS-NKWVEPMBSA-N 0 0 229.207 1.882 10 5 BDBERN C[C@H](c1cccc([N+](=O)[O-])c1)n1nccc1N ZINC000019689332 177037964 /nfs/dbraw/zinc/03/79/64/177037964.db2.gz ABGOYEWLUPBBRU-MRVPVSSYSA-N 0 0 232.243 1.983 10 5 BDBERN C[C@H]1C[C@@H]1NC(=O)c1cc(N)ccc1[N+](=O)[O-] ZINC000052303775 177348296 /nfs/dbraw/zinc/34/82/96/177348296.db2.gz NJBJSYORDUDDQI-RCOVLWMOSA-N 0 0 235.243 1.315 10 5 BDBERN C[C@H]1C[C@@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183580362 177348322 /nfs/dbraw/zinc/34/83/22/177348322.db2.gz KRHQKEGYRYSHEF-XPUUQOCRSA-N 0 0 236.231 1.520 10 5 BDBERN C[C@H]1C[C@@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000075513197 177349740 /nfs/dbraw/zinc/34/97/40/177349740.db2.gz CIJQJFLNVYRPHM-FSPLSTOPSA-N 0 0 226.257 1.795 10 5 BDBERN Cn1nccc1-c1ccc([N+](=O)[O-])nc1 ZINC000584646496 490183415 /nfs/dbraw/zinc/18/34/15/490183415.db2.gz VPXZTTCATPHYPY-UHFFFAOYSA-N 0 0 204.189 1.390 10 5 BDBERN O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)CN1 ZINC000238628247 582672077 /nfs/dbraw/zinc/67/20/77/582672077.db2.gz CUYYIOHGMFMRFY-MRVPVSSYSA-N 0 0 206.201 1.198 10 5 BDBERN CC(=O)[C@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000111691179 582861081 /nfs/dbraw/zinc/86/10/81/582861081.db2.gz BQEJSRBTSYWUNC-JTQLQIEISA-N 0 0 249.270 1.795 10 5 BDBERN C[C@@H](O)[C@@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000309057786 632632084 /nfs/dbraw/zinc/63/20/84/632632084.db2.gz VEKUSAPCLVOFBR-HTQZYQBOSA-N 0 0 210.233 1.776 10 5 BDBERN Nc1cc(-c2ccc([N+](=O)[O-])s2)[nH]n1 ZINC000236355050 632777795 /nfs/dbraw/zinc/77/77/95/632777795.db2.gz FLUWKLVXTUOAKH-UHFFFAOYSA-N 0 0 210.218 1.629 10 5 BDBERN Cc1ccc([N+](=O)[O-])c(NCC2CC(O)C2)n1 ZINC000162639609 634245316 /nfs/dbraw/zinc/24/53/16/634245316.db2.gz NNSGFHKCHOOJSP-UHFFFAOYSA-N 0 0 237.259 1.481 10 5 BDBERN C[C@@H](O)[C@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000336745946 635255019 /nfs/dbraw/zinc/25/50/19/635255019.db2.gz ASPULUZSHFWXGT-NKWVEPMBSA-N 0 0 211.221 1.171 10 5 BDBERN C[C@@H](O)[C@@H](C)Nc1ccc([N+](=O)[O-])c(N)c1F ZINC000343795828 636775706 /nfs/dbraw/zinc/77/57/06/636775706.db2.gz RPHUYOGWHCTFEU-PHDIDXHHSA-N 0 0 243.238 1.497 10 5 BDBERN C[C@@H](O)[C@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000306423863 636881730 /nfs/dbraw/zinc/88/17/30/636881730.db2.gz BVKYQYOICYJHQK-CRCLSJGQSA-N 0 0 217.250 1.233 10 5 BDBERN O=c1oc2ccc(F)cc2cc1[N+](=O)[O-] ZINC000059158865 640790262 /nfs/dbraw/zinc/79/02/62/640790262.db2.gz JDJZMXAFIRKGGB-UHFFFAOYSA-N 0 0 209.132 1.840 10 5 BDBERN C[C@@H](O)[C@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000309044794 711585896 /nfs/dbraw/zinc/58/58/96/711585896.db2.gz NSPKASGNQAUKBH-JGVFFNPUSA-N 0 0 210.233 1.776 10 5 BDBERN O=[N+]([O-])[C@@H]1CO[C@H](O)C[C@H]1c1ccccc1 ZINC000198368537 349510938 /nfs/dbraw/zinc/51/09/38/349510938.db2.gz YELZDZRXFDHZCB-AXFHLTTASA-N 0 0 223.228 1.154 10 5 BDBERN Cc1cc(CO)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000054830248 178046423 /nfs/dbraw/zinc/04/64/23/178046423.db2.gz WDEPQOJKIVJZLV-UHFFFAOYSA-N 0 0 245.238 1.853 10 5 BDBERN O=[N+]([O-])c1cccc(O[C@@H]2CCC[C@@H]2O)c1 ZINC000037696184 538963589 /nfs/dbraw/zinc/96/35/89/538963589.db2.gz DILHHWUESATYNX-WDEREUQCSA-N 0 0 223.228 1.887 10 5 BDBERN COC(=O)c1cc([N+](=O)[O-])c(OC)cc1C ZINC000215532222 342733532 /nfs/dbraw/zinc/73/35/32/342733532.db2.gz LNDFAPOPMDWHOO-UHFFFAOYSA-N 0 0 225.200 1.698 10 5 BDBERN COC[C@@H]1Cc2cc(C)cc([N+](=O)[O-])c2O1 ZINC000144870588 342753942 /nfs/dbraw/zinc/75/39/42/342753942.db2.gz OBMIEIPYRHCWQW-VIFPVBQESA-N 0 0 223.228 1.853 10 5 BDBERN CC(C)n1ncc2ccc([N+](=O)[O-])cc2c1=O ZINC000146686949 342770839 /nfs/dbraw/zinc/77/08/39/342770839.db2.gz SHWUZBANBSKOGC-UHFFFAOYSA-N 0 0 233.227 1.886 10 5 BDBERN COC[C@@H](C)Nc1nc(Cl)ncc1[N+](=O)[O-] ZINC000004243382 398282199 /nfs/dbraw/zinc/28/21/99/398282199.db2.gz WHOQQHCFCYQWPC-RXMQYKEDSA-N 0 0 246.654 1.485 10 5 BDBERN NOCc1ccc(Br)cc1[N+](=O)[O-] ZINC000164841490 342831217 /nfs/dbraw/zinc/83/12/17/342831217.db2.gz KHUXVFDECOOTEA-UHFFFAOYSA-N 0 0 247.048 1.748 10 5 BDBERN CCOC(=O)Cc1cc(N)ccc1[N+](=O)[O-] ZINC000309147495 342896161 /nfs/dbraw/zinc/89/61/61/342896161.db2.gz BQKCFNYIASKFQZ-UHFFFAOYSA-N 0 0 224.216 1.283 10 5 BDBERN O=c1ccc([N+](=O)[O-])c(C(F)(F)Cl)[nH]1 ZINC000575433715 398327932 /nfs/dbraw/zinc/32/79/32/398327932.db2.gz DSRQPLQONFPQKR-UHFFFAOYSA-N 0 0 224.550 1.984 10 5 BDBERN Cn1ncc([N+](=O)[O-])c1[C@H]1CCC(=O)CCO1 ZINC000216876329 342990841 /nfs/dbraw/zinc/99/08/41/342990841.db2.gz PHDKMKFQXLDLEM-SECBINFHSA-N 0 0 239.231 1.139 10 5 BDBERN COc1cc(OC(F)(F)F)nc([N+](=O)[O-])c1 ZINC000309292016 343070012 /nfs/dbraw/zinc/07/00/12/343070012.db2.gz JRLQXNOLSJNDIF-UHFFFAOYSA-N 0 0 238.121 1.897 10 5 BDBERN O=[N+]([O-])c1ccccc1OCCCCO ZINC000035650249 343142975 /nfs/dbraw/zinc/14/29/75/343142975.db2.gz FLCWQLOSBNWFID-UHFFFAOYSA-N 0 0 211.217 1.746 10 5 BDBERN CCOC(=O)c1c(N)c([N+](=O)[O-])ccc1OC ZINC000218644331 344241644 /nfs/dbraw/zinc/24/16/44/344241644.db2.gz OXXJMARWCKOBSF-UHFFFAOYSA-N 0 0 240.215 1.362 10 5 BDBERN COC(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000084922766 344485003 /nfs/dbraw/zinc/48/50/03/344485003.db2.gz GVORRURBEYSLTM-UHFFFAOYSA-N 0 0 209.201 1.998 10 5 BDBERN Cc1cc(N[C@@H]2C[C@H]2CO)ccc1[N+](=O)[O-] ZINC000309883446 259378078 /nfs/dbraw/zinc/37/80/78/259378078.db2.gz WTIVCOUYOYJIFS-WCBMZHEXSA-N 0 0 222.244 1.696 10 5 BDBERN COC(=O)c1c(OC)cc(OC)cc1[N+](=O)[O-] ZINC000231445624 344742513 /nfs/dbraw/zinc/74/25/13/344742513.db2.gz NAIDMRYTXTZAQG-UHFFFAOYSA-N 0 0 241.199 1.399 10 5 BDBERN COC(=O)c1cc(-c2ccccc2[N+](=O)[O-])[nH]n1 ZINC000514251122 344906337 /nfs/dbraw/zinc/90/63/37/344906337.db2.gz JNWUYQPILCTXGQ-UHFFFAOYSA-N 0 0 247.210 1.772 10 5 BDBERN COC[C@H](O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000044373298 345043498 /nfs/dbraw/zinc/04/34/98/345043498.db2.gz QCXYJGJZOZBQJZ-SECBINFHSA-N 0 0 240.259 1.038 10 5 BDBERN C[C@H](O)c1ccc([C@H](C)O)c([N+](=O)[O-])c1 ZINC000143391018 345865254 /nfs/dbraw/zinc/86/52/54/345865254.db2.gz LKLZYVWHVHFVON-BQBZGAKWSA-N 0 0 211.217 1.701 10 5 BDBERN CCOC(=O)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000034147069 346209699 /nfs/dbraw/zinc/20/96/99/346209699.db2.gz YOBKMVIDKOVCBB-SNVBAGLBSA-N 0 0 239.227 1.581 10 5 BDBERN O=[N+]([O-])c1n[nH]c2cnc(Br)cc21 ZINC000616568527 347447715 /nfs/dbraw/zinc/44/77/15/347447715.db2.gz SUPUYJRAZFDSFG-UHFFFAOYSA-N 0 0 243.020 1.629 10 5 BDBERN CO[S@](=O)c1cccc([N+](=O)[O-])c1 ZINC000196313356 347868282 /nfs/dbraw/zinc/86/82/82/347868282.db2.gz JZOMXGCPKQDBEH-ZDUSSCGKSA-N 0 0 201.203 1.264 10 5 BDBERN CCOC(=O)[C@H](Cc1ccc(C)cc1)[N+](=O)[O-] ZINC000196569455 347937374 /nfs/dbraw/zinc/93/73/74/347937374.db2.gz ZNFHZIOYNIVGJA-NSHDSACASA-N 0 0 237.255 1.746 10 5 BDBERN O=Cc1ccc2c(ccc3nccnc32)n1 ZINC000040537976 187393413 /nfs/dbraw/zinc/39/34/13/187393413.db2.gz LCLADQCSBNSPGJ-UHFFFAOYSA-N 0 0 209.208 1.991 10 5 BDBERN COc1ccc([C@H](O)[C@H](C)[N+](=O)[O-])cc1 ZINC000038524220 362918807 /nfs/dbraw/zinc/91/88/07/362918807.db2.gz BTEJYEKSJZDWDU-OIBJUYFYSA-N 0 0 211.217 1.394 10 5 BDBERN CS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1F ZINC000205572830 348551056 /nfs/dbraw/zinc/55/10/56/348551056.db2.gz QCMJFIOMUPUNCX-UHFFFAOYSA-N 0 0 247.247 1.321 10 5 BDBERN O=[N+]([O-])c1cccc(F)c1NC1CC(CO)C1 ZINC000596568408 348580999 /nfs/dbraw/zinc/58/09/99/348580999.db2.gz NESWAMPMLGFMHR-UHFFFAOYSA-N 0 0 240.234 1.917 10 5 BDBERN CC(=O)Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000002537944 187410236 /nfs/dbraw/zinc/41/02/36/187410236.db2.gz LCLIUCWYYKKEAR-UHFFFAOYSA-N 0 0 203.585 1.034 10 5 BDBERN C[C@@H](Nc1ccccc1[N+](=O)[O-])N1CCCC1=O ZINC000198944697 349044330 /nfs/dbraw/zinc/04/43/30/349044330.db2.gz UXOPRSLBLGIJHW-VIFPVBQESA-N 0 0 249.270 1.975 10 5 BDBERN Cc1nc(N)nc(NC(C)C)c1[N+](=O)[O-] ZINC000012654149 187415454 /nfs/dbraw/zinc/41/54/54/187415454.db2.gz APDJTFYXTJTGJQ-UHFFFAOYSA-N 0 0 211.225 1.096 10 5 BDBERN Cc1nc([N+](=O)[O-])cn1C[C@H](O)c1ccccc1 ZINC000000084372 180060668 /nfs/dbraw/zinc/06/06/68/180060668.db2.gz ZMZHLCPYQPGZAO-NSHDSACASA-N 0 0 247.254 1.833 10 5 BDBERN CC(=O)N1CCc2cccc([N+](=O)[O-])c2C1 ZINC000039040192 350329259 /nfs/dbraw/zinc/32/92/59/350329259.db2.gz UAZOMFBCFGLWAL-UHFFFAOYSA-N 0 0 220.228 1.499 10 5 BDBERN Cc1nn([C@H]2CCSC2)c(N)c1[N+](=O)[O-] ZINC000043670274 180393293 /nfs/dbraw/zinc/39/32/93/180393293.db2.gz DBGNNWWZLRIEHK-LURJTMIESA-N 0 0 228.277 1.360 10 5 BDBERN C[C@@H](CNc1ccc([N+](=O)[O-])cn1)[S@@](C)=O ZINC000159856162 351017851 /nfs/dbraw/zinc/01/78/51/351017851.db2.gz OUMMTOBYFXOUPU-GYKQLYQFSA-N 0 0 243.288 1.169 10 5 BDBERN Cc1cc(C(N)=O)c([N+](=O)[O-])cc1Cl ZINC000307023823 351429876 /nfs/dbraw/zinc/42/98/76/351429876.db2.gz GLEGRPWYCJCLKR-UHFFFAOYSA-N 0 0 214.608 1.656 10 5 BDBERN Cc1c(Cl)ccc(C(N)=O)c1[N+](=O)[O-] ZINC000307040977 351443936 /nfs/dbraw/zinc/44/39/36/351443936.db2.gz NCIQEORXPBEJIL-UHFFFAOYSA-N 0 0 214.608 1.656 10 5 BDBERN Cc1cc([N+](=O)[O-])nn1[C@@H]1CCC(=O)C1 ZINC000300863817 363074683 /nfs/dbraw/zinc/07/46/83/363074683.db2.gz JMTKCSQZYLGYFE-SSDOTTSWSA-N 0 0 209.205 1.394 10 5 BDBERN O=[N+]([O-])c1c[nH]c2cc([N+](=O)[O-])cnc21 ZINC000044712974 352384472 /nfs/dbraw/zinc/38/44/72/352384472.db2.gz FHSWYAQOZWKGQA-UHFFFAOYSA-N 0 0 208.133 1.379 10 5 BDBERN [NH3+]Cc1c(F)c([N+](=O)[O-])ccc1Br ZINC000307392607 352568922 /nfs/dbraw/zinc/56/89/22/352568922.db2.gz ZEKSXMYGQXKTCA-UHFFFAOYSA-N 0 0 249.039 1.955 10 5 BDBERN Nc1cc([N+](=O)[O-])cc(C(F)(F)F)n1 ZINC000307531449 352638392 /nfs/dbraw/zinc/63/83/92/352638392.db2.gz VCHZASXXROGQJZ-UHFFFAOYSA-N 0 0 207.111 1.591 10 5 BDBERN Cc1ccc(C2OCCO2)cc1[N+](=O)[O-] ZINC000002529175 188223156 /nfs/dbraw/zinc/22/31/56/188223156.db2.gz VBFJFUZLKBNDSY-UHFFFAOYSA-N 0 0 209.201 1.949 10 5 BDBERN CCOC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000006403749 358006555 /nfs/dbraw/zinc/00/65/55/358006555.db2.gz GUBJDUFKRJFIBQ-UHFFFAOYSA-N 0 0 211.173 1.477 10 5 BDBERN COc1cccc(-n2ccc([N+](=O)[O-])n2)c1 ZINC000584613390 358277516 /nfs/dbraw/zinc/27/75/16/358277516.db2.gz NOTGUKBMYOUETD-UHFFFAOYSA-N 0 0 219.200 1.789 10 5 BDBERN COC(=O)C1(c2ccncc2[N+](=O)[O-])CC1 ZINC000584601882 358259509 /nfs/dbraw/zinc/25/95/09/358259509.db2.gz JPOQVFBOMIGWLU-UHFFFAOYSA-N 0 0 222.200 1.194 10 5 BDBERN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)C(=O)N1 ZINC000584625555 358294345 /nfs/dbraw/zinc/29/43/45/358294345.db2.gz SUCJSRHSUSWCMG-SSDOTTSWSA-N 0 0 221.216 1.513 10 5 BDBERN Cc1ccc2c(c1)oc1nc(=O)[nH]c(N)c1c2=O ZINC000584635532 358319206 /nfs/dbraw/zinc/31/92/06/358319206.db2.gz VGYUIORGICLWCH-UHFFFAOYSA-N 0 0 243.222 1.332 10 5 BDBERN O=[N+]([O-])c1ccn(Cc2nnsc2Cl)n1 ZINC000040517215 359103212 /nfs/dbraw/zinc/10/32/12/359103212.db2.gz JVHXKXUEXNACEI-UHFFFAOYSA-N 0 0 245.651 1.345 10 5 BDBERN Nc1nccc([N+](=O)[O-])c1C(F)(F)F ZINC000306383458 359735452 /nfs/dbraw/zinc/73/54/52/359735452.db2.gz YPVBJJMTSMLXRR-UHFFFAOYSA-N 0 0 207.111 1.591 10 5 BDBERN NC(=O)c1ccc(OC2CC2)c([N+](=O)[O-])c1 ZINC000095736859 181301437 /nfs/dbraw/zinc/30/14/37/181301437.db2.gz JXANKHSTVPLBQC-UHFFFAOYSA-N 0 0 222.200 1.235 10 5 BDBERN NC(=O)c1ccc([N+](=O)[O-])cc1OC1CC1 ZINC000095735558 181302647 /nfs/dbraw/zinc/30/26/47/181302647.db2.gz FVFPQAIGQQCRBO-UHFFFAOYSA-N 0 0 222.200 1.235 10 5 BDBERN NC(=S)c1c(Cl)cccc1[N+](=O)[O-] ZINC000083348778 181320315 /nfs/dbraw/zinc/32/03/15/181320315.db2.gz OFKTXSIZGNIKIC-UHFFFAOYSA-N 0 0 216.649 1.882 10 5 BDBERN O=[N+]([O-])c1cccc([C@H](O)C(F)F)c1 ZINC000238678775 361177152 /nfs/dbraw/zinc/17/71/52/361177152.db2.gz ZBZMLICVGUNQFU-ZETCQYMHSA-N 0 0 203.144 1.893 10 5 BDBERN Nc1nccc([N+](=O)[O-])c1OC(F)(F)F ZINC000238699312 361180542 /nfs/dbraw/zinc/18/05/42/361180542.db2.gz IVNNWFHWFGJZDE-UHFFFAOYSA-N 0 0 223.110 1.471 10 5 BDBERN Nc1cc(OC(F)F)cc([N+](=O)[O-])c1 ZINC000238705842 361364436 /nfs/dbraw/zinc/36/44/36/361364436.db2.gz HTPNTSUIFLPSOH-UHFFFAOYSA-N 0 0 204.132 1.778 10 5 BDBERN C[C@@H](O)CNc1cc(F)cc([N+](=O)[O-])c1 ZINC000037666575 364460111 /nfs/dbraw/zinc/46/01/11/364460111.db2.gz AUTKUIXNTARTEN-ZCFIWIBFSA-N 0 0 214.196 1.527 10 5 BDBERN C=CC(=O)N(C)c1ccccc1[N+](=O)[O-] ZINC000038762189 368328069 /nfs/dbraw/zinc/32/80/69/368328069.db2.gz WSTMKBYRMWIVTD-UHFFFAOYSA-N 0 0 206.201 1.744 10 5 BDBERN O=c1c([N+](=O)[O-])cccn1-c1ccc(F)cc1 ZINC000115710703 369005776 /nfs/dbraw/zinc/00/57/76/369005776.db2.gz MIRQIMKZPIQPDJ-UHFFFAOYSA-N 0 0 234.186 1.885 10 5 BDBERN N[C@@H]1c2cc([N+](=O)[O-])ccc2N(CC2CC2)C1=O ZINC000019795679 371190063 /nfs/dbraw/zinc/19/00/63/371190063.db2.gz HWIFNKNANOOPEC-LLVKDONJSA-N 0 0 247.254 1.351 10 5 BDBERN COc1cc(N)c([N+](=O)[O-])c(Cl)c1 ZINC000163644779 372024025 /nfs/dbraw/zinc/02/40/25/372024025.db2.gz IJTQDNPAUJXOJJ-UHFFFAOYSA-N 0 0 202.597 1.839 10 5 BDBERN COC(=O)Cc1cc(C)cc([N+](=O)[O-])c1 ZINC000231454153 372034428 /nfs/dbraw/zinc/03/44/28/372034428.db2.gz ZEYPPDXYWXZDES-UHFFFAOYSA-N 0 0 209.201 1.619 10 5 BDBERN COc1cccc(C(C[N+](=O)[O-])C[N+](=O)[O-])c1 ZINC000140436443 372675343 /nfs/dbraw/zinc/67/53/43/372675343.db2.gz FOAMDXFYHUUQQF-UHFFFAOYSA-N 0 0 240.215 1.332 10 5 BDBERN CC(=O)O[C@H](c1ccccc1)[C@@H](C)[N+](=O)[O-] ZINC000039221767 372909879 /nfs/dbraw/zinc/90/98/79/372909879.db2.gz LCNVWDVWJBEJTA-KCJUWKMLSA-N 0 0 223.228 1.956 10 5 BDBERN O=Cc1ccnn1-c1ccccc1[N+](=O)[O-] ZINC000072190451 182873086 /nfs/dbraw/zinc/87/30/86/182873086.db2.gz KOXGCYXEIVBUBY-UHFFFAOYSA-N 0 0 217.184 1.593 10 5 BDBERN O=[N+]([O-])c1cn(-c2cccc(F)c2)cn1 ZINC000095578918 182955917 /nfs/dbraw/zinc/95/59/17/182955917.db2.gz RTADCOZILLXBLJ-UHFFFAOYSA-N 0 0 207.164 1.920 10 5 BDBERN CCCNc1ncnc(OC(C)C)c1[N+](=O)[O-] ZINC000040597089 169297124 /nfs/dbraw/zinc/29/71/24/169297124.db2.gz YOXWBMBYZJFXCE-UHFFFAOYSA-N 0 0 240.263 1.994 10 5 BDBERN CCCS(=O)(=O)c1cc([N+](=O)[O-])ccc1F ZINC000072266428 169333920 /nfs/dbraw/zinc/33/39/20/169333920.db2.gz NSQDNJPCYCFREF-UHFFFAOYSA-N 0 0 247.247 1.918 10 5 BDBERN COC(=O)c1cc2c[nH]nc2cc1[N+](=O)[O-] ZINC000089197019 383944548 /nfs/dbraw/zinc/94/45/48/383944548.db2.gz WNELUPJLHGKSHF-UHFFFAOYSA-N 0 0 221.172 1.258 10 5 BDBERN CN1c2ccc([N+](=O)[O-])cc2CCC1=O ZINC000082593619 384469706 /nfs/dbraw/zinc/46/97/06/384469706.db2.gz ARSAPYZAJKOTFW-UHFFFAOYSA-N 0 0 206.201 1.504 10 5 BDBERN Nc1c[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000521400789 384628978 /nfs/dbraw/zinc/62/89/78/384628978.db2.gz PBKWMOFWNXJNOB-UHFFFAOYSA-N 0 0 204.189 1.567 10 5 BDBERN COc1c(Br)c(N)ccc1[N+](=O)[O-] ZINC000536954734 384804919 /nfs/dbraw/zinc/80/49/19/384804919.db2.gz TWJGOOWIGGAMEK-UHFFFAOYSA-N 0 0 247.048 1.948 10 5 BDBERN COC(=O)c1cc([N+](=O)[O-])cc(N)c1F ZINC000062350373 385132173 /nfs/dbraw/zinc/13/21/73/385132173.db2.gz SETCTEILPDJQOS-UHFFFAOYSA-N 0 0 214.152 1.103 10 5 BDBERN C[C@@H](O)CNc1cc(F)ccc1[N+](=O)[O-] ZINC000052119495 385170592 /nfs/dbraw/zinc/17/05/92/385170592.db2.gz VGEQBVAYUGPSHV-ZCFIWIBFSA-N 0 0 214.196 1.527 10 5 BDBERN CC(C)COCCNc1ncc([N+](=O)[O-])cn1 ZINC000169067699 385404916 /nfs/dbraw/zinc/40/49/16/385404916.db2.gz LLBDANVNXPRBDO-UHFFFAOYSA-N 0 0 240.263 1.469 10 5 BDBERN Cn1nc(C=O)c2cccc([N+](=O)[O-])c21 ZINC000299889332 385627788 /nfs/dbraw/zinc/62/77/88/385627788.db2.gz HVNBPKPYCCJPIY-UHFFFAOYSA-N 0 0 205.173 1.294 10 5 BDBERN Nc1ccc(C(F)(F)F)c([N+](=O)[O-])n1 ZINC000307525280 386703733 /nfs/dbraw/zinc/70/37/33/386703733.db2.gz HKHQNRCJJJHPKK-UHFFFAOYSA-N 0 0 207.111 1.591 10 5 BDBERN O=[N+]([O-])c1cc(OC(F)F)c(F)cc1CO ZINC000575660852 387054528 /nfs/dbraw/zinc/05/45/28/387054528.db2.gz AVPISZRXHDCYMB-UHFFFAOYSA-N 0 0 237.133 1.828 10 5 BDBERN [NH3+][C@H](CCF)c1cc([O-])ccc1[N+](=O)[O-] ZINC000575439810 387125976 /nfs/dbraw/zinc/12/59/76/387125976.db2.gz XYBZBELJVGETDN-MRVPVSSYSA-N 0 0 214.196 1.660 10 5 BDBERN COc1cc([N+](=O)[O-])c(CO)cc1OC(F)F ZINC000575665867 387315320 /nfs/dbraw/zinc/31/53/20/387315320.db2.gz VBKDCTNPASWAIO-UHFFFAOYSA-N 0 0 249.169 1.697 10 5 BDBERN COC(=O)c1cc([N+](=O)[O-])cc(C)c1OC ZINC000575677870 387359667 /nfs/dbraw/zinc/35/96/67/387359667.db2.gz GWELEEAXZYHTMZ-UHFFFAOYSA-N 0 0 225.200 1.698 10 5 BDBERN CC(=O)c1cc(OC(F)F)cc(N)c1[N+](=O)[O-] ZINC000575717603 387436499 /nfs/dbraw/zinc/43/64/99/387436499.db2.gz ULDVWKFPWHTANC-UHFFFAOYSA-N 0 0 246.169 1.981 10 5 BDBERN CCOC(=O)Cc1c(N)c([N+](=O)[O-])ccc1F ZINC000575725424 387461818 /nfs/dbraw/zinc/46/18/18/387461818.db2.gz YAZVKQGYUBSEDU-UHFFFAOYSA-N 0 0 242.206 1.422 10 5 BDBERN COc1cc([N+](=O)[O-])cc(N)c1Br ZINC000575721088 387443400 /nfs/dbraw/zinc/44/34/00/387443400.db2.gz WMJYCNMBLCJPPC-UHFFFAOYSA-N 0 0 247.048 1.948 10 5 BDBERN CCOc1cc([N+](=O)[O-])c(C(N)=O)cc1F ZINC000575697662 387394551 /nfs/dbraw/zinc/39/45/51/387394551.db2.gz FUBOGCMZGRDSJH-UHFFFAOYSA-N 0 0 228.179 1.232 10 5 BDBERN CCOc1cc([N+](=O)[O-])cc(C)c1CO ZINC000575698625 387397030 /nfs/dbraw/zinc/39/70/30/387397030.db2.gz BDPNXXSMLOONKC-UHFFFAOYSA-N 0 0 211.217 1.794 10 5 BDBERN CCOc1cc([N+](=O)[O-])cc(C(N)=O)c1CC ZINC000575697098 387398961 /nfs/dbraw/zinc/39/89/61/387398961.db2.gz SZCAYMSVVUYOSZ-UHFFFAOYSA-N 0 0 238.243 1.655 10 5 BDBERN CCOc1cc([N+](=O)[O-])cc(CO)c1C ZINC000575698832 387402310 /nfs/dbraw/zinc/40/23/10/387402310.db2.gz LPZOATHOPBXWDI-UHFFFAOYSA-N 0 0 211.217 1.794 10 5 BDBERN COC(=O)Cc1c(N)ccc([N+](=O)[O-])c1Cl ZINC000575729798 387467432 /nfs/dbraw/zinc/46/74/32/387467432.db2.gz MZLOZAJUOYJTLE-UHFFFAOYSA-N 0 0 244.634 1.546 10 5 BDBERN COC(=O)Cc1cccc(C)c1[N+](=O)[O-] ZINC000238394614 388018152 /nfs/dbraw/zinc/01/81/52/388018152.db2.gz QACBFAOKVFHXIH-UHFFFAOYSA-N 0 0 209.201 1.619 10 5 BDBERN CC(C)n1ccnc1Cn1cnc([N+](=O)[O-])c1 ZINC000195517357 388475673 /nfs/dbraw/zinc/47/56/73/388475673.db2.gz BKPICGBJIULGRS-UHFFFAOYSA-N 0 0 235.247 1.617 10 5 BDBERN CNc1ccc2ncc(C)nc2c1[N+](=O)[O-] ZINC000022063366 388824021 /nfs/dbraw/zinc/82/40/21/388824021.db2.gz RWEGKKUGBIGLRG-UHFFFAOYSA-N 0 0 218.216 1.888 10 5 in-vitro BDBERN CNc1ccc2nccnc2c1[N+](=O)[O-] ZINC000022062576 388824521 /nfs/dbraw/zinc/82/45/21/388824521.db2.gz UZKBVZMJKPXRTC-UHFFFAOYSA-N 0 0 204.189 1.580 10 5 in-vitro BDBERN CCOC(=O)Cc1c(C)cc([N+](=O)[O-])cc1N ZINC000575725870 398069615 /nfs/dbraw/zinc/06/96/15/398069615.db2.gz JQYMJHYPRUTJTQ-UHFFFAOYSA-N 0 0 238.243 1.591 10 5 BDBERN CC(C)Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000004534909 167147956 /nfs/dbraw/zinc/14/79/56/167147956.db2.gz PCQCBPIIPVKRBL-UHFFFAOYSA-N 0 0 222.204 1.951 10 5 BDBERN CCNc1ncnc(OCC(C)C)c1[N+](=O)[O-] ZINC000082486700 170177915 /nfs/dbraw/zinc/17/79/15/170177915.db2.gz ASOKGEVAYNIWKS-UHFFFAOYSA-N 0 0 240.263 1.851 10 5 BDBERN CCOC(=O)C[C@@H](CC(C)C)C[N+](=O)[O-] ZINC000022063451 170231486 /nfs/dbraw/zinc/23/14/86/170231486.db2.gz LOHHVAYLSGONPS-SECBINFHSA-N 0 0 217.265 1.879 10 5 in-vitro BDBERN CC[C@H](C)Nc1c([N+](=O)[O-])c(C)nn1C ZINC000036749210 171349555 /nfs/dbraw/zinc/34/95/55/171349555.db2.gz LGRQGWJDLPHWAR-LURJTMIESA-N 0 0 212.253 1.847 10 5 BDBERN CC[C@H](Nc1ccc(F)cc1[N+](=O)[O-])C(N)=O ZINC000292350097 171551487 /nfs/dbraw/zinc/55/14/87/171551487.db2.gz OCTXBESBSFBXMO-ZETCQYMHSA-N 0 0 241.222 1.410 10 5 BDBERN CC[C@](C)(CCO)Nc1ncc([N+](=O)[O-])cn1 ZINC000230874514 171691871 /nfs/dbraw/zinc/69/18/71/171691871.db2.gz WORGSSQBUSWOSP-SNVBAGLBSA-N 0 0 240.263 1.348 10 5 BDBERN CCc1c([N+](=O)[O-])cc(N)cc1[N+](=O)[O-] ZINC000039101503 171744881 /nfs/dbraw/zinc/74/48/81/171744881.db2.gz BNTIGSBCIDBMOK-UHFFFAOYSA-N 0 0 211.177 1.648 10 5 BDBERN CNC(=O)[C@@H](C)Nc1cccc([N+](=O)[O-])c1 ZINC000007116068 173295791 /nfs/dbraw/zinc/29/57/91/173295791.db2.gz YCYPERRJXOKTAU-SSDOTTSWSA-N 0 0 223.232 1.141 10 5 BDBERN CNc1cnc(Br)cc1[N+](=O)[O-] ZINC000115897298 173484038 /nfs/dbraw/zinc/48/40/38/173484038.db2.gz BKZQMZKVFIDKIE-UHFFFAOYSA-N 0 0 232.037 1.794 10 5 BDBERN CNc1nc(-c2ccccc2[N+](=O)[O-])no1 ZINC000053750185 173485772 /nfs/dbraw/zinc/48/57/72/173485772.db2.gz DNZKEUKPDANVAL-UHFFFAOYSA-N 0 0 220.188 1.687 10 5 BDBERN COC(CNCc1ccccc1[N+](=O)[O-])OC ZINC000037389050 173962704 /nfs/dbraw/zinc/96/27/04/173962704.db2.gz NYAGFEMVAJKWSJ-UHFFFAOYSA-N 0 0 240.259 1.303 10 5 BDBERN COc1cc([N+](=O)[O-])cc(C(C)=O)c1OC ZINC000098179175 175017558 /nfs/dbraw/zinc/01/75/58/175017558.db2.gz AHLPLHJXTHSABJ-UHFFFAOYSA-N 0 0 225.200 1.815 10 5 BDBERN COc1cc2c(cc1[N+](=O)[O-])CCCC(=O)N2 ZINC000082162647 175026063 /nfs/dbraw/zinc/02/60/63/175026063.db2.gz INTMUTAYXHPHNK-UHFFFAOYSA-N 0 0 236.227 1.878 10 5 BDBERN COc1cncc([N+](=O)[O-])c1OC1CC1 ZINC000095731088 175386428 /nfs/dbraw/zinc/38/64/28/175386428.db2.gz TZQVTFCRKFQOTP-UHFFFAOYSA-N 0 0 210.189 1.540 10 5 BDBERN C[C@H](O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000035631806 177016575 /nfs/dbraw/zinc/01/65/75/177016575.db2.gz VCXVQCKEGYKTMV-ZETCQYMHSA-N 0 0 234.215 1.229 10 5 BDBERN C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(N)c1 ZINC000054414145 177108453 /nfs/dbraw/zinc/10/84/53/177108453.db2.gz QSMSNDNISSDARS-QMMMGPOBSA-N 0 0 249.270 1.802 10 5 BDBERN COc1cnc(-c2ccc([N+](=O)[O-])cc2)[nH]c1=O ZINC000118160204 537926391 /nfs/dbraw/zinc/92/63/91/537926391.db2.gz MWCXJINGYQMPPI-UHFFFAOYSA-N 0 0 247.210 1.354 10 5 BDBERN C[C@H](O)c1ccn(Cc2cccc([N+](=O)[O-])c2)n1 ZINC000133795670 591858244 /nfs/dbraw/zinc/85/82/44/591858244.db2.gz UMWNYQLJAWLJDE-VIFPVBQESA-N 0 0 247.254 1.893 10 5 BDBERN C[C@H](O)[C@H](C)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000336751234 635258080 /nfs/dbraw/zinc/25/80/80/635258080.db2.gz CEDBZTFEKDNGIT-WDSKDSINSA-N 0 0 245.666 1.824 10 5 BDBERN COC1CC(Nc2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000230595741 632817433 /nfs/dbraw/zinc/81/74/33/632817433.db2.gz CZGHOJQULRNCQY-UHFFFAOYSA-N 0 0 237.259 1.888 10 5 BDBERN COC1CC(Nc2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000230601770 632828792 /nfs/dbraw/zinc/82/87/92/632828792.db2.gz GTNMLFHOBHSEPJ-UHFFFAOYSA-N 0 0 240.263 1.226 10 5 BDBERN O=C1Nc2c(c(Cl)c([N+](=O)[O-])cc2F)C1=O ZINC000035359214 641759578 /nfs/dbraw/zinc/75/95/78/641759578.db2.gz YOLBAEPPDPLXSB-UHFFFAOYSA-N 0 0 244.565 1.522 10 5 BDBERN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@H](C)O ZINC000346446875 643568711 /nfs/dbraw/zinc/56/87/11/643568711.db2.gz HVIFUESBCCNMAJ-SFYZADRCSA-N 0 0 238.243 1.094 10 5 BDBERN C=C(OCC)c1nccc(N)c1[N+](=O)[O-] ZINC000685965150 538911622 /nfs/dbraw/zinc/91/16/22/538911622.db2.gz QPKWTNDZCTWZIU-UHFFFAOYSA-N 0 0 209.205 1.579 10 5 BDBERN Cc1cc([N+](=O)[O-])c(N)nc1Br ZINC000299889534 178269599 /nfs/dbraw/zinc/26/95/99/178269599.db2.gz KSIVMSSSLADTLW-UHFFFAOYSA-N 0 0 232.037 1.643 10 5 BDBERN Cc1ccc(-c2cc(N)n[nH]2)cc1[N+](=O)[O-] ZINC000019511994 178322051 /nfs/dbraw/zinc/32/20/51/178322051.db2.gz MQGMHSCHNQZGBR-UHFFFAOYSA-N 0 0 218.216 1.876 10 5 BDBERN CNC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000147222439 342774166 /nfs/dbraw/zinc/77/41/66/342774166.db2.gz VKKVYBIZZVFXGA-UHFFFAOYSA-N 0 0 221.216 1.297 10 5 BDBERN CCc1nnc(COc2ccccc2[N+](=O)[O-])[nH]1 ZINC000072237531 343088308 /nfs/dbraw/zinc/08/83/08/343088308.db2.gz IJHWQYLQUIYXGO-UHFFFAOYSA-N 0 0 248.242 1.854 10 5 BDBERN Cc1cc2c(c([N+](=O)[O-])c1)O[C@@H](CO)C2 ZINC000144750819 343138387 /nfs/dbraw/zinc/13/83/87/343138387.db2.gz DIGMFWKHQGCRGP-MRVPVSSYSA-N 0 0 209.201 1.199 10 5 BDBERN O=[N+]([O-])c1cncc(OC(F)(F)F)c1CO ZINC000309327001 343271046 /nfs/dbraw/zinc/27/10/46/343271046.db2.gz RHOPBKYIDCSYIR-UHFFFAOYSA-N 0 0 238.121 1.381 10 5 BDBERN COC(=O)Cc1cccc([N+](=O)[O-])c1OC ZINC000309417085 343418754 /nfs/dbraw/zinc/41/87/54/343418754.db2.gz ATLWJUWVZZQFRX-UHFFFAOYSA-N 0 0 225.200 1.319 10 5 BDBERN O=Cc1nccc([N+](=O)[O-])c1OC(F)(F)F ZINC000309461060 343512079 /nfs/dbraw/zinc/51/20/79/343512079.db2.gz QWQRQVNKPNUTQY-UHFFFAOYSA-N 0 0 236.105 1.701 10 5 BDBERN COC[C@@H](C)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000083370128 343588995 /nfs/dbraw/zinc/58/89/95/343588995.db2.gz RGTNRALCWNHMLF-MRVPVSSYSA-N 0 0 242.250 1.858 10 5 BDBERN CNC(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000234353861 343947826 /nfs/dbraw/zinc/94/78/26/343947826.db2.gz WEMWRAKSBYVZRV-UHFFFAOYSA-N 0 0 212.180 1.402 10 5 BDBERN O=[N+]([O-])c1ccc(N[C@H]2CCC[C@H]2O)nc1 ZINC000077994046 344828493 /nfs/dbraw/zinc/82/84/93/344828493.db2.gz CASOTEOVFLXBJW-DTWKUNHWSA-N 0 0 223.232 1.315 10 5 BDBERN O=C1OCCN1c1ccc([N+](=O)[O-])c(F)c1 ZINC000141812052 345861746 /nfs/dbraw/zinc/86/17/46/345861746.db2.gz JVSZFPVFJIVTJO-UHFFFAOYSA-N 0 0 226.163 1.691 10 5 BDBERN CCOC(=O)c1c(C)cc([N+](=O)[O-])cc1N ZINC000034164112 346213896 /nfs/dbraw/zinc/21/38/96/346213896.db2.gz HAQDWDBDTIKZHG-UHFFFAOYSA-N 0 0 224.216 1.662 10 5 BDBERN NNc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000236283077 346220286 /nfs/dbraw/zinc/22/02/86/346220286.db2.gz VUXWBXBLAIVUFX-UHFFFAOYSA-N 0 0 205.576 1.673 10 5 BDBERN CON(OC)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000169419189 346759540 /nfs/dbraw/zinc/75/95/40/346759540.db2.gz VGDJEFFTIGAEOV-UHFFFAOYSA-N 0 0 241.203 1.552 10 5 BDBERN Cc1cc(NCC2CC(O)C2)ncc1[N+](=O)[O-] ZINC000092027453 346750838 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C[C@H]1C[C@H](O)CN(c2ccsc2[N+](=O)[O-])C1 ZINC000401950248 348883053 /nfs/dbraw/zinc/88/30/53/348883053.db2.gz LCAWYELLAMKKTG-YUMQZZPRSA-N 0 0 242.300 1.863 10 5 BDBERN Cc1ccc(N2CC=CCN2)c([N+](=O)[O-])c1 ZINC000599112012 349099159 /nfs/dbraw/zinc/09/91/59/349099159.db2.gz JNFBJIPQPGOMMI-UHFFFAOYSA-N 0 0 219.244 1.784 10 5 BDBERN CCCn1cc([N+](=O)[O-])cc1C(=O)OC ZINC000094755130 362942059 /nfs/dbraw/zinc/94/20/59/362942059.db2.gz UHYGRXBNALBYNX-UHFFFAOYSA-N 0 0 212.205 1.593 10 5 BDBERN Cc1nc(NCc2ncnn2C)ccc1[N+](=O)[O-] ZINC000301649552 180020338 /nfs/dbraw/zinc/02/03/38/180020338.db2.gz JEDGPZZDMQJHNP-UHFFFAOYSA-N 0 0 248.246 1.039 10 5 BDBERN COC(=O)c1cc(N)c([N+](=O)[O-])cc1F ZINC000128822406 350538105 /nfs/dbraw/zinc/53/81/05/350538105.db2.gz CGNAJXIGKVLCKL-UHFFFAOYSA-N 0 0 214.152 1.103 10 5 BDBERN Cc1noc(CNc2ccc([N+](=O)[O-])cn2)n1 ZINC000038035158 180489584 /nfs/dbraw/zinc/48/95/84/180489584.db2.gz SMTMAALCGBPXCQ-UHFFFAOYSA-N 0 0 235.203 1.293 10 5 BDBERN C[C@H](CNc1ccccc1[N+](=O)[O-])[S@@](C)=O ZINC000159759882 350994636 /nfs/dbraw/zinc/99/46/36/350994636.db2.gz FPXMDXAEBUOYTQ-BCTVWOGZSA-N 0 0 242.300 1.774 10 5 BDBERN C/C=C\c1ncnc(OCC)c1[N+](=O)[O-] ZINC000255995453 188086337 /nfs/dbraw/zinc/08/63/37/188086337.db2.gz PUCIEDVZVMNWNO-HYXAFXHYSA-N 0 0 209.205 1.817 10 5 BDBERN C=CS(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000037666676 188113968 /nfs/dbraw/zinc/11/39/68/188113968.db2.gz XNMQSWBUDAPJJP-UHFFFAOYSA-N 0 0 231.204 1.651 10 5 BDBERN CC1(C)NC(=O)c2cc([N+](=O)[O-])ccc2O1 ZINC000040443203 188118405 /nfs/dbraw/zinc/11/84/05/188118405.db2.gz LBGSTFDBDFLFBL-UHFFFAOYSA-N 0 0 222.200 1.453 10 5 BDBERN COCCNc1ncnc(Cl)c1[N+](=O)[O-] ZINC000004243324 354817402 /nfs/dbraw/zinc/81/74/02/354817402.db2.gz ZOVWPMXPIBPVKA-UHFFFAOYSA-N 0 0 232.627 1.097 10 5 BDBERN O=[N+]([O-])c1ccc(NCC[C@@H]2CCCO2)cn1 ZINC000047873301 356325116 /nfs/dbraw/zinc/32/51/16/356325116.db2.gz NBSFOOSZVUGREG-JTQLQIEISA-N 0 0 237.259 1.971 10 5 BDBERN O=[N+]([O-])c1cccc([C@@H]2CC[C@@H](CO)OC2)c1 ZINC000675058667 538482254 /nfs/dbraw/zinc/48/22/54/538482254.db2.gz RNVKFVYJLBCUDD-PWSUYJOCSA-N 0 0 237.255 1.850 10 5 BDBERN O=[N+]([O-])c1cccc(C[C@@H]2NC[C@@H]2F)c1 ZINC000584591672 358110952 /nfs/dbraw/zinc/11/09/52/358110952.db2.gz DGMVBIIZXGTFID-UWVGGRQHSA-N 0 0 210.208 1.447 10 5 BDBERN O=[N+]([O-])c1cc(Cn2ccnn2)cc([N+](=O)[O-])c1 ZINC000584613451 358277709 /nfs/dbraw/zinc/27/77/09/358277709.db2.gz HSTOFEXMCYJDFX-UHFFFAOYSA-N 0 0 249.186 1.143 10 5 BDBERN Cn1c(CC[N+](=O)[O-])cc2ccccc21 ZINC000584607016 358267208 /nfs/dbraw/zinc/26/72/08/358267208.db2.gz IUWOQWCGXFIPOV-UHFFFAOYSA-N 0 0 204.229 1.998 10 5 BDBERN CCn1cc([N+](=O)[O-])c2ccccc2c1=O ZINC000584625328 358294149 /nfs/dbraw/zinc/29/41/49/358294149.db2.gz RIQCTYIYKXPCLH-UHFFFAOYSA-N 0 0 218.212 1.930 10 5 BDBERN COC(=O)CCC1([N+](=O)[O-])Cc2ccccc2C1 ZINC000584618870 358284774 /nfs/dbraw/zinc/28/47/74/358284774.db2.gz XQFHEUPNLJOJEU-UHFFFAOYSA-N 0 0 249.266 1.754 10 5 BDBERN O=[N+]([O-])c1nn(CC(F)F)cc1Cl ZINC000069760083 360406781 /nfs/dbraw/zinc/40/67/81/360406781.db2.gz PDQGNUQGONTFKK-UHFFFAOYSA-N 0 0 211.555 1.710 10 5 BDBERN CC(=O)[C@H](C)n1cc(Cl)c([N+](=O)[O-])n1 ZINC000069759966 360408142 /nfs/dbraw/zinc/40/81/42/360408142.db2.gz RBJUWJHSNCULEH-BYPYZUCNSA-N 0 0 217.612 1.595 10 5 BDBERN NC(=O)c1ccc(OC2CC2)cc1[N+](=O)[O-] ZINC000095736877 181301396 /nfs/dbraw/zinc/30/13/96/181301396.db2.gz GOFQRZJKABUGHZ-UHFFFAOYSA-N 0 0 222.200 1.235 10 5 BDBERN Cc1cc(C)c2cc([N+](=O)[O-])c(=O)[nH]c2n1 ZINC000138692265 361099222 /nfs/dbraw/zinc/09/92/22/361099222.db2.gz CYKVYOHCSGYITK-UHFFFAOYSA-N 0 0 219.200 1.448 10 5 BDBERN Nc1c(OC(F)(F)F)nccc1[N+](=O)[O-] ZINC000238592216 361161673 /nfs/dbraw/zinc/16/16/73/361161673.db2.gz RTBSTERVJSMWGS-UHFFFAOYSA-N 0 0 223.110 1.471 10 5 BDBERN Nc1cc([N+](=O)[O-])cc(OC(F)(F)F)n1 ZINC000238693809 361181018 /nfs/dbraw/zinc/18/10/18/361181018.db2.gz STXXADQCTASYHQ-UHFFFAOYSA-N 0 0 223.110 1.471 10 5 BDBERN O=c1[nH]ccc(OC(F)(F)F)c1[N+](=O)[O-] ZINC000238710815 361365291 /nfs/dbraw/zinc/36/52/91/361365291.db2.gz MTFCHAZHBFMPLK-UHFFFAOYSA-N 0 0 224.094 1.594 10 5 BDBERN COC(=O)c1cccc2ncc([N+](=O)[O-])n21 ZINC000196146201 368308714 /nfs/dbraw/zinc/30/87/14/368308714.db2.gz RUSMBZYHBWYKKQ-UHFFFAOYSA-N 0 0 221.172 1.029 10 5 BDBERN CCOC(=O)c1cccc([N+](=O)[O-])c1C=O ZINC000078920854 368381608 /nfs/dbraw/zinc/38/16/08/368381608.db2.gz HVLGCMPIRIIFKV-UHFFFAOYSA-N 0 0 223.184 1.584 10 5 BDBERN O=[N+]([O-])c1ccc(F)c(F)c1N1CCOCC1 ZINC000139805583 368391279 /nfs/dbraw/zinc/39/12/79/368391279.db2.gz XVOGVXCGIQDLOD-UHFFFAOYSA-N 0 0 244.197 1.710 10 5 BDBERN O=[N+]([O-])c1cnn([C@@H]2CCC[C@@H](O)C2)c1 ZINC000108324636 368568642 /nfs/dbraw/zinc/56/86/42/368568642.db2.gz LXPCZPXXCQVNFB-VXNVDRBHSA-N 0 0 211.221 1.267 10 5 BDBERN O=[N+]([O-])c1ccc(NCC2CC(O)C2)c(F)c1 ZINC000091524546 369424334 /nfs/dbraw/zinc/42/43/34/369424334.db2.gz RPAAXULNJJCSHE-UHFFFAOYSA-N 0 0 240.234 1.917 10 5 BDBERN O=[N+]([O-])c1cnc2c(c1)n[nH]c2Br ZINC000096321068 371469441 /nfs/dbraw/zinc/46/94/41/371469441.db2.gz POPBHVHUUIBSGR-UHFFFAOYSA-N 0 0 243.020 1.629 10 5 BDBERN CCC(=O)Nc1nc(Cl)ccc1[N+](=O)[O-] ZINC000162225255 371635077 /nfs/dbraw/zinc/63/50/77/371635077.db2.gz PITAPLMZGAXDKK-UHFFFAOYSA-N 0 0 229.623 1.992 10 5 BDBERN Nc1ncc2c(n1)c1ccccc1oc2=O ZINC000034485041 181798210 /nfs/dbraw/zinc/79/82/10/181798210.db2.gz NFAYZYZWXILGLQ-UHFFFAOYSA-N 0 0 213.196 1.318 10 5 BDBERN O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@H](O)C2)nc1 ZINC000603865708 371938007 /nfs/dbraw/zinc/93/80/07/371938007.db2.gz MROAMBDBOAZWOX-SCZZXKLOSA-N 0 0 237.259 1.705 10 5 BDBERN O=[N+]([O-])c1c(Cl)cccc1-n1cncn1 ZINC000132711079 371902456 /nfs/dbraw/zinc/90/24/56/371902456.db2.gz TXWWLSNIHMXSJL-UHFFFAOYSA-N 0 0 224.607 1.829 10 5 BDBERN Nc1ccc([N+](=O)[O-])nc1Br ZINC000307181033 372095011 /nfs/dbraw/zinc/09/50/11/372095011.db2.gz QOTXPCJHANWETG-UHFFFAOYSA-N 0 0 218.010 1.335 10 5 BDBERN C[C@H]([C@@H](O)c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] ZINC000038674264 372737231 /nfs/dbraw/zinc/73/72/31/372737231.db2.gz TYUOXCOWZWBAMN-HZGVNTEJSA-N 0 0 226.188 1.293 10 5 BDBERN O=[N+]([O-])c1cnsc1Br ZINC000039256695 372920618 /nfs/dbraw/zinc/92/06/18/372920618.db2.gz WGFXHBUDQDTMNG-UHFFFAOYSA-N 0 0 209.024 1.814 10 5 BDBERN Cc1c[nH]c(=O)c2cc([N+](=O)[O-])ccc12 ZINC000142938367 374116803 /nfs/dbraw/zinc/11/68/03/374116803.db2.gz UBXUJMFZNASYGZ-UHFFFAOYSA-N 0 0 204.185 1.745 10 5 BDBERN O=C(NCc1ccccc1)c1[nH]cnc1[N+](=O)[O-] ZINC000017158871 182257393 /nfs/dbraw/zinc/25/73/93/182257393.db2.gz MFQCXAONRDIONC-UHFFFAOYSA-N 0 0 246.226 1.248 10 5 BDBERN O=C(c1ccc(F)c([N+](=O)[O-])c1)N1CCCC1 ZINC000037248003 182660188 /nfs/dbraw/zinc/66/01/88/182660188.db2.gz XEODOZYJQHFQMJ-UHFFFAOYSA-N 0 0 238.218 1.970 10 5 BDBERN CCCNc1ncnc(-n2ccnc2)c1[N+](=O)[O-] ZINC000040597257 169297042 /nfs/dbraw/zinc/29/70/42/169297042.db2.gz ZSVXLFVQHBGISP-UHFFFAOYSA-N 0 0 248.246 1.392 10 5 BDBERN CCC[C@H](CCC(C)=NNC(N)=O)[N+](=O)[O-] ZINC000257354464 384267796 /nfs/dbraw/zinc/26/77/96/384267796.db2.gz XWQLHAHPXYWCBK-MRVPVSSYSA-N 0 0 230.268 1.256 10 5 BDBERN CC[C@@H](NC(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000178702368 384378107 /nfs/dbraw/zinc/37/81/07/384378107.db2.gz NJWHPYUYXGIGIL-SECBINFHSA-N 0 0 223.232 1.714 10 5 BDBERN O=[N+]([O-])c1ccc(SC[C@H](O)CO)cc1 ZINC000086659906 384670698 /nfs/dbraw/zinc/67/06/98/384670698.db2.gz YRANHLUUEOCNJF-MRVPVSSYSA-N 0 0 229.257 1.040 10 5 BDBERN CCOc1cc(OC)c(C=O)c([N+](=O)[O-])c1 ZINC000575698216 384700050 /nfs/dbraw/zinc/70/00/50/384700050.db2.gz GLGPPAGMFJBWHT-UHFFFAOYSA-N 0 0 225.200 1.815 10 5 BDBERN Nc1c(O)cc([N+](=O)[O-])cc1OC(F)F ZINC000575723766 384900877 /nfs/dbraw/zinc/90/08/77/384900877.db2.gz VXOVGKPOUJCPST-UHFFFAOYSA-N 0 0 220.131 1.484 10 5 BDBERN CC(=O)c1cc([N+](=O)[O-])cc(C(C)=O)n1 ZINC000095766398 385108141 /nfs/dbraw/zinc/10/81/41/385108141.db2.gz HIMAFOPMSTXSBB-UHFFFAOYSA-N 0 0 208.173 1.395 10 5 BDBERN C[C@H]1CC[C@@H](O)CN1c1ccc([N+](=O)[O-])cn1 ZINC000399353809 386691973 /nfs/dbraw/zinc/69/19/73/386691973.db2.gz ZPILEYSWYOFMBZ-WCBMZHEXSA-N 0 0 237.259 1.339 10 5 BDBERN C/C=C/CCNc1ncc([N+](=O)[O-])cn1 ZINC000164761742 386841632 /nfs/dbraw/zinc/84/16/32/386841632.db2.gz DHMYLPVUNQIACF-NSCUHMNNSA-N 0 0 208.221 1.763 10 5 BDBERN [NH3+][C@H](CC(F)F)c1cc([O-])ccc1[N+](=O)[O-] ZINC000575437698 387108568 /nfs/dbraw/zinc/10/85/68/387108568.db2.gz PAOYGBVHUULGMX-SSDOTTSWSA-N 0 0 232.186 1.955 10 5 BDBERN COc1cc(CO)cc(OC(F)F)c1[N+](=O)[O-] ZINC000575665702 387315567 /nfs/dbraw/zinc/31/55/67/387315567.db2.gz SLFBZZGBURHROP-UHFFFAOYSA-N 0 0 249.169 1.697 10 5 BDBERN COC(=O)c1cc(OC)cc(C)c1[N+](=O)[O-] ZINC000575679433 387360813 /nfs/dbraw/zinc/36/08/13/387360813.db2.gz SFYIJXSYWMJHSM-UHFFFAOYSA-N 0 0 225.200 1.698 10 5 BDBERN O=Cc1cc(CO)c(C(F)F)cc1[N+](=O)[O-] ZINC000575668749 387327816 /nfs/dbraw/zinc/32/78/16/387327816.db2.gz MZURBMAGVXWIDU-UHFFFAOYSA-N 0 0 231.154 1.837 10 5 BDBERN COC(=O)Cc1c(N)c([N+](=O)[O-])ccc1Cl ZINC000575727097 387461432 /nfs/dbraw/zinc/46/14/32/387461432.db2.gz UDOARXGNJQCZJM-UHFFFAOYSA-N 0 0 244.634 1.546 10 5 BDBERN COC(=O)c1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000575715078 387429453 /nfs/dbraw/zinc/42/94/53/387429453.db2.gz RJLUILMGINUHNT-UHFFFAOYSA-N 0 0 229.163 1.529 10 5 BDBERN CCOC(=O)Cc1c(F)ccc(N)c1[N+](=O)[O-] ZINC000575724415 387437690 /nfs/dbraw/zinc/43/76/90/387437690.db2.gz GCWWFDNDPAMFDO-UHFFFAOYSA-N 0 0 242.206 1.422 10 5 BDBERN CCOC(=O)c1cc(O)c(N)c([N+](=O)[O-])c1 ZINC000575725118 387459254 /nfs/dbraw/zinc/45/92/54/387459254.db2.gz RGVZTELPVRWPIJ-UHFFFAOYSA-N 0 0 226.188 1.059 10 5 BDBERN CCOC(=O)c1ccc([N+](=O)[O-])c([O-])c1N ZINC000575725897 387459357 /nfs/dbraw/zinc/45/93/57/387459357.db2.gz XEXLSIREEXFHAE-UHFFFAOYSA-N 0 0 226.188 1.059 10 5 BDBERN CCOC(=O)Cc1ccc([N+](=O)[O-])c(N)c1F ZINC000575725092 387459544 /nfs/dbraw/zinc/45/95/44/387459544.db2.gz SNKAABPDNVCAGD-UHFFFAOYSA-N 0 0 242.206 1.422 10 5 BDBERN CCOC(=O)c1ccc([N+](=O)[O-])c(N)c1C ZINC000575724965 387459622 /nfs/dbraw/zinc/45/96/22/387459622.db2.gz CWMLOOQSEJLAQG-UHFFFAOYSA-N 0 0 224.216 1.662 10 5 BDBERN CCOC(=O)Cc1cc(N)cc(C)c1[N+](=O)[O-] ZINC000575725945 387460069 /nfs/dbraw/zinc/46/00/69/387460069.db2.gz JXAMLTFVDLXKIT-UHFFFAOYSA-N 0 0 238.243 1.591 10 5 BDBERN CCOc1cc(C(N)=O)cc(F)c1[N+](=O)[O-] ZINC000575697315 387390963 /nfs/dbraw/zinc/39/09/63/387390963.db2.gz BHGMXYJBXBWUCN-UHFFFAOYSA-N 0 0 228.179 1.232 10 5 BDBERN CCOc1c(C=O)cc([N+](=O)[O-])cc1OC ZINC000575698129 387393260 /nfs/dbraw/zinc/39/32/60/387393260.db2.gz CTNMHZTYXOLIKR-UHFFFAOYSA-N 0 0 225.200 1.815 10 5 BDBERN CCOc1cc(C=O)c(F)c([N+](=O)[O-])c1 ZINC000575697647 387394595 /nfs/dbraw/zinc/39/45/95/387394595.db2.gz ZKLOBOGDNGUCEQ-UHFFFAOYSA-N 0 0 213.164 1.945 10 5 BDBERN CCOC(=O)Cc1cc(N)c([N+](=O)[O-])cc1F ZINC000575724764 387460254 /nfs/dbraw/zinc/46/02/54/387460254.db2.gz SEIYQBLEQASHBF-UHFFFAOYSA-N 0 0 242.206 1.422 10 5 BDBERN CCOc1c(CO)c(C)ccc1[N+](=O)[O-] ZINC000575698659 387396664 /nfs/dbraw/zinc/39/66/64/387396664.db2.gz CMFYZMDBBWBKCN-UHFFFAOYSA-N 0 0 211.217 1.794 10 5 BDBERN CCOc1cc(CC)cc([N+](=O)[O-])c1C(N)=O ZINC000575696442 387397560 /nfs/dbraw/zinc/39/75/60/387397560.db2.gz OUBGFHKMGHQQIO-UHFFFAOYSA-N 0 0 238.243 1.655 10 5 BDBERN COC(=O)c1ccc(Cl)c(N)c1[N+](=O)[O-] ZINC000575725028 387460449 /nfs/dbraw/zinc/46/04/49/387460449.db2.gz FPTUMZLNDYLVRM-UHFFFAOYSA-N 0 0 230.607 1.617 10 5 BDBERN CCOc1cc(C)cc(CO)c1[N+](=O)[O-] ZINC000575699308 387401817 /nfs/dbraw/zinc/40/18/17/387401817.db2.gz STNWOIRRZAHYBB-UHFFFAOYSA-N 0 0 211.217 1.794 10 5 BDBERN COc1ccc([N+](=O)[O-])c(F)c1CO ZINC000575708217 387412781 /nfs/dbraw/zinc/41/27/81/387412781.db2.gz LLADMDMMKKKQFN-UHFFFAOYSA-N 0 0 201.153 1.235 10 5 BDBERN CSc1cc([N+](=O)[O-])cc(CO)c1F ZINC000575708569 387413709 /nfs/dbraw/zinc/41/37/09/387413709.db2.gz FAASRKGWXYDIRB-UHFFFAOYSA-N 0 0 217.221 1.948 10 5 BDBERN COc1ccc(CO)c(F)c1[N+](=O)[O-] ZINC000575708864 387413919 /nfs/dbraw/zinc/41/39/19/387413919.db2.gz SJUJFBUBXFRFJI-UHFFFAOYSA-N 0 0 201.153 1.235 10 5 BDBERN Nc1c(O)cc(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000575727880 387464987 /nfs/dbraw/zinc/46/49/87/387464987.db2.gz IKCWBNGWUQYVRS-UHFFFAOYSA-N 0 0 238.121 1.781 10 5 BDBERN Nc1c(O)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000575728258 387465735 /nfs/dbraw/zinc/46/57/35/387465735.db2.gz MBQNLWUGNJPCJZ-UHFFFAOYSA-N 0 0 222.122 1.901 10 5 BDBERN COC(=O)Cc1cc(N)c([N+](=O)[O-])cc1Cl ZINC000575730950 387475962 /nfs/dbraw/zinc/47/59/62/387475962.db2.gz ZCTSQHKWVOOQMJ-UHFFFAOYSA-N 0 0 244.634 1.546 10 5 BDBERN O=[N+]([O-])c1ccc(CO)c(F)c1OC(F)F ZINC000575661098 387953642 /nfs/dbraw/zinc/95/36/42/387953642.db2.gz IUKKWGQCLJYQAG-UHFFFAOYSA-N 0 0 237.133 1.828 10 5 BDBERN C/C=C/c1ncnc(OCC)c1[N+](=O)[O-] ZINC000039099634 388406887 /nfs/dbraw/zinc/40/68/87/388406887.db2.gz PUCIEDVZVMNWNO-HWKANZROSA-N 0 0 209.205 1.817 10 5 BDBERN COc1ccc([N+](=O)[O-])c(OC)c1C=O ZINC000220242822 388602439 /nfs/dbraw/zinc/60/24/39/388602439.db2.gz CBXOVPJSUOTECO-UHFFFAOYSA-N 0 0 211.173 1.425 10 5 BDBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C ZINC000082255611 388724474 /nfs/dbraw/zinc/72/44/74/388724474.db2.gz JEBAJPLOVQYDOG-UHFFFAOYSA-N 0 0 223.232 1.997 10 5 BDBERN C=C(C(=O)OCC)c1ncccc1[N+](=O)[O-] ZINC000095348062 388763481 /nfs/dbraw/zinc/76/34/81/388763481.db2.gz WPOULMXZPCFYBB-UHFFFAOYSA-N 0 0 222.200 1.566 10 5 BDBERN CN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@@H]1CC1(C)C ZINC000408079356 134388551 /nfs/dbraw/zinc/38/85/51/134388551.db2.gz IPCACYYMFASHOJ-SSDOTTSWSA-N 0 0 238.247 1.188 10 5 BDBERN CC[C@](C)(CCO)Nc1ccc([N+](=O)[O-])nc1 ZINC000228607707 134424227 /nfs/dbraw/zinc/42/42/27/134424227.db2.gz COPXDNYZRRXWBL-LLVKDONJSA-N 0 0 239.275 1.953 10 5 BDBERN CC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])cn1 ZINC000005900855 397942201 /nfs/dbraw/zinc/94/22/01/397942201.db2.gz KCXYNFXBUIMCGC-UHFFFAOYSA-N 0 0 223.232 1.974 10 5 BDBERN CCOC(=O)Cc1cc(F)c(N)c([N+](=O)[O-])c1 ZINC000575724626 398069658 /nfs/dbraw/zinc/06/96/58/398069658.db2.gz MNDRWAOSQGRSQC-UHFFFAOYSA-N 0 0 242.206 1.422 10 5 BDBERN CCOC(=O)c1cc(N)cc([N+](=O)[O-])c1CC ZINC000575724698 398069778 /nfs/dbraw/zinc/06/97/78/398069778.db2.gz QBSWKLLIMGVRFI-UHFFFAOYSA-N 0 0 238.243 1.916 10 5 BDBERN CC(C)NC(=O)c1cc(N)ccc1[N+](=O)[O-] ZINC000050697197 167086260 /nfs/dbraw/zinc/08/62/60/167086260.db2.gz GWHFIXLAGINVPN-UHFFFAOYSA-N 0 0 223.232 1.315 10 5 BDBERN CC1=CN(Br)[C@@H]([N+](=O)[O-])C=C1 ZINC000100288764 168122167 /nfs/dbraw/zinc/12/21/67/168122167.db2.gz WXAVQMOABLEHGK-LURJTMIESA-N 0 0 219.038 1.675 10 5 BDBERN CCNC(=O)c1cc([N+](=O)[O-])ccc1NCC ZINC000050725980 170101387 /nfs/dbraw/zinc/10/13/87/170101387.db2.gz KKFQIALGRXITHQ-UHFFFAOYSA-N 0 0 237.259 1.776 10 5 BDBERN CCNc1cc2c(cc1[N+](=O)[O-])NC(=O)CC2 ZINC000035341303 170172898 /nfs/dbraw/zinc/17/28/98/170172898.db2.gz ASLYJSISSHKESW-UHFFFAOYSA-N 0 0 235.243 1.911 10 5 BDBERN CCNc1n[nH]c2cccc([N+](=O)[O-])c21 ZINC000089195860 170175216 /nfs/dbraw/zinc/17/52/16/170175216.db2.gz LIVIAKVLTITPKO-UHFFFAOYSA-N 0 0 206.205 1.903 10 5 BDBERN CCOC(=O)c1c(N)c(F)ccc1[N+](=O)[O-] ZINC000037475442 170289504 /nfs/dbraw/zinc/28/95/04/170289504.db2.gz RLSMHPCFAIACGW-UHFFFAOYSA-N 0 0 228.179 1.493 10 5 BDBERN CCOC(=O)c1sc([N+](=O)[O-])c(N)c1NC ZINC000255965323 170311117 /nfs/dbraw/zinc/31/11/17/170311117.db2.gz BRSGOPZGULNHBB-UHFFFAOYSA-N 0 0 245.260 1.457 10 5 BDBERN CC[C@@](C)(CCO)Nc1ncc([N+](=O)[O-])cn1 ZINC000230874508 171166765 /nfs/dbraw/zinc/16/67/65/171166765.db2.gz WORGSSQBUSWOSP-JTQLQIEISA-N 0 0 240.263 1.348 10 5 BDBERN CN1C[C@H](c2ccc([N+](=O)[O-])cc2)OCC1=O ZINC000090659822 173196328 /nfs/dbraw/zinc/19/63/28/173196328.db2.gz YLHAPEAUFXSDNX-SNVBAGLBSA-N 0 0 236.227 1.125 10 5 BDBERN CNC(=O)CCNc1cccc([N+](=O)[O-])c1C ZINC000062724116 173262443 /nfs/dbraw/zinc/26/24/43/173262443.db2.gz OJBQKRQNAVZVHZ-UHFFFAOYSA-N 0 0 237.259 1.451 10 5 BDBERN COC(=O)Cc1noc2ccc([N+](=O)[O-])cc21 ZINC000095752012 173644310 /nfs/dbraw/zinc/64/43/10/173644310.db2.gz NOVRJWNUKYEYCI-UHFFFAOYSA-N 0 0 236.183 1.452 10 5 BDBERN COC(=O)c1cc([N+](=O)[O-])c(F)c([N+](=O)[O-])c1 ZINC000035333495 173862351 /nfs/dbraw/zinc/86/23/51/173862351.db2.gz REVNNSDOZBCQED-UHFFFAOYSA-N 0 0 244.134 1.429 10 5 BDBERN COCCOCOc1ccc([N+](=O)[O-])cc1 ZINC000090556298 174360808 /nfs/dbraw/zinc/36/08/08/174360808.db2.gz BVHIHGIVJOLZME-UHFFFAOYSA-N 0 0 227.216 1.594 10 5 BDBERN COc1nc(Cl)c([N+](=O)[O-])c(OC)n1 ZINC000005356759 175391734 /nfs/dbraw/zinc/39/17/34/175391734.db2.gz DZVJFWKOQFZUII-UHFFFAOYSA-N 0 0 219.584 1.055 10 5 BDBERN COc1ncnc(NC(C)(C)C)c1[N+](=O)[O-] ZINC000082486456 175414488 /nfs/dbraw/zinc/41/44/88/175414488.db2.gz UODYDFCSAVGWRT-UHFFFAOYSA-N 0 0 226.236 1.604 10 5 BDBERN COc1nncc2c1cccc2[N+](=O)[O-] ZINC000098179645 175417185 /nfs/dbraw/zinc/41/71/85/175417185.db2.gz OAUUVDUFXLQOKB-UHFFFAOYSA-N 0 0 205.173 1.547 10 5 BDBERN C[C@H](CO)Nc1nc(Cl)ccc1[N+](=O)[O-] ZINC000035607062 176707617 /nfs/dbraw/zinc/70/76/17/176707617.db2.gz LVARIFDRSHAMHI-RXMQYKEDSA-N 0 0 231.639 1.436 10 5 BDBERN C[C@H]1C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000052303744 177347691 /nfs/dbraw/zinc/34/76/91/177347691.db2.gz LTRJJMVPQFJOLX-WKEGUHRASA-N 0 0 235.243 1.315 10 5 BDBERN C[C@H]1C[C@@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000133873473 177348971 /nfs/dbraw/zinc/34/89/71/177348971.db2.gz DFLYRHWVOBHEJY-RCOVLWMOSA-N 0 0 238.218 1.872 10 5 BDBERN C[C@H]1C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000171060035 177349191 /nfs/dbraw/zinc/34/91/91/177349191.db2.gz OAPMFQLEOFXMDZ-XVKPBYJWSA-N 0 0 220.228 1.733 10 5 BDBERN C[C@H]1C[C@@H]1Nc1ncnc(Cl)c1[N+](=O)[O-] ZINC000052297940 177350762 /nfs/dbraw/zinc/35/07/62/177350762.db2.gz YOTLKAQRQJIMSW-WHFBIAKZSA-N 0 0 228.639 1.859 10 5 BDBERN C[C@H]1C[C@H]1NC(=O)c1cc(N)ccc1[N+](=O)[O-] ZINC000052303780 177385112 /nfs/dbraw/zinc/38/51/12/177385112.db2.gz NJBJSYORDUDDQI-IMTBSYHQSA-N 0 0 235.243 1.315 10 5 BDBERN Cc1c(N)n[nH]c1-c1ccccc1[N+](=O)[O-] ZINC000036936096 177615619 /nfs/dbraw/zinc/61/56/19/177615619.db2.gz VAQFBWCYCRKTCU-UHFFFAOYSA-N 0 0 218.216 1.876 10 5 BDBERN O=Cc1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000026514479 583690677 /nfs/dbraw/zinc/69/06/77/583690677.db2.gz CFDVICWOTNDAGT-UHFFFAOYSA-N 0 0 217.184 1.593 10 5 BDBERN Cc1cc(N[C@H](C)[C@@H](C)O)ncc1[N+](=O)[O-] ZINC000309950738 633974194 /nfs/dbraw/zinc/97/41/94/633974194.db2.gz FXMCUOMTJBZMID-HTQZYQBOSA-N 0 0 225.248 1.479 10 5 BDBERN C[C@@H](O)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000346516061 643575914 /nfs/dbraw/zinc/57/59/14/643575914.db2.gz QFNDPLUTDXPMKH-NTSWFWBYSA-N 0 0 244.272 1.155 10 5 BDBERN C[C@H](Nc1ccccc1[N+](=O)[O-])c1cn(C)nn1 ZINC000715856260 712537142 /nfs/dbraw/zinc/53/71/42/712537142.db2.gz ZTBCCFIGHJJRIM-QMMMGPOBSA-N 0 0 247.258 1.896 10 5 BDBERN NC(=O)C1CC(Nc2ccsc2[N+](=O)[O-])C1 ZINC000716783677 712573257 /nfs/dbraw/zinc/57/32/57/712573257.db2.gz XUBLENKCSSQJQL-UHFFFAOYSA-N 0 0 241.272 1.332 10 5 BDBERN Cc1nc2ccc([N+](=O)[O-])cc2cc1NN ZINC000685963279 538909147 /nfs/dbraw/zinc/90/91/47/538909147.db2.gz KZUDJQZBSOWKKZ-UHFFFAOYSA-N 0 0 218.216 1.737 10 5 BDBERN Cc1cc(NN)c(Cl)cc1[N+](=O)[O-] ZINC000037737498 178176106 /nfs/dbraw/zinc/17/61/06/178176106.db2.gz QTMWEOJZHHVUIK-UHFFFAOYSA-N 0 0 201.613 1.842 10 5 BDBERN COc1cc(CO)c([N+](=O)[O-])cc1OC(F)F ZINC000037225725 361756132 /nfs/dbraw/zinc/75/61/32/361756132.db2.gz LCSQQTOUIPNJAH-UHFFFAOYSA-N 0 0 249.169 1.697 10 5 BDBERN Cc1cc([N+](=O)[O-])cc2c3noc(=O)c-3c[nH]c12 ZINC000100899325 178271348 /nfs/dbraw/zinc/27/13/48/178271348.db2.gz OSMIBMBXAJPDKX-UHFFFAOYSA-N 0 0 245.194 1.886 10 5 BDBERN Cc1cc2c(c([N+](=O)[O-])c1)NC(=O)C2=O ZINC000031866885 178283817 /nfs/dbraw/zinc/28/38/17/178283817.db2.gz NTRUHSPDGGDANP-UHFFFAOYSA-N 0 0 206.157 1.038 10 5 BDBERN Cc1ccc(NCc2ncnn2C)c([N+](=O)[O-])c1 ZINC000301478977 398281462 /nfs/dbraw/zinc/28/14/62/398281462.db2.gz QRDUDNVGRBHHBL-UHFFFAOYSA-N 0 0 247.258 1.644 10 5 BDBERN CC1(C)OC[C@H](c2ccc([N+](=O)[O-])cn2)O1 ZINC000146157401 342767061 /nfs/dbraw/zinc/76/70/61/342767061.db2.gz AVSZFZUKLWAMSD-SECBINFHSA-N 0 0 224.216 1.814 10 5 BDBERN O=c1c2cc([N+](=O)[O-])ccc2cnn1CC1CC1 ZINC000146731172 342771218 /nfs/dbraw/zinc/77/12/18/342771218.db2.gz XQCYNIKRACPJKF-UHFFFAOYSA-N 0 0 245.238 1.715 10 5 BDBERN COC(=O)c1ccc2cccnc2c1[N+](=O)[O-] ZINC000148910193 342792404 /nfs/dbraw/zinc/79/24/04/342792404.db2.gz FUYZVYSZTUTLRV-UHFFFAOYSA-N 0 0 232.195 1.930 10 5 BDBERN COC[C@H]1Cc2cc(C)cc([N+](=O)[O-])c2O1 ZINC000144870783 343140929 /nfs/dbraw/zinc/14/09/29/343140929.db2.gz OBMIEIPYRHCWQW-SECBINFHSA-N 0 0 223.228 1.853 10 5 BDBERN C[S@](=O)Cc1cc(F)cc([N+](=O)[O-])c1 ZINC000150248765 343479149 /nfs/dbraw/zinc/47/91/49/343479149.db2.gz YLWXIIDMXOCFNB-CQSZACIVSA-N 0 0 217.221 1.612 10 5 BDBERN Cc1ccc(N2CC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000061701435 178713616 /nfs/dbraw/zinc/71/36/16/178713616.db2.gz OJVGZEDEYZJXFV-SNVBAGLBSA-N 0 0 236.271 1.722 10 5 BDBERN Nc1cc(C(=O)N2CCCC2)cc([N+](=O)[O-])c1 ZINC000143717870 345866758 /nfs/dbraw/zinc/86/67/58/345866758.db2.gz OFDKORFLHVTBDR-UHFFFAOYSA-N 0 0 235.243 1.413 10 5 BDBERN CCOC(=O)c1c(C)nn2ccc([N+](=O)[O-])cc12 ZINC000096320973 346112978 /nfs/dbraw/zinc/11/29/78/346112978.db2.gz YMGCDTSURTVQSF-UHFFFAOYSA-N 0 0 249.226 1.728 10 5 BDBERN Cc1cc(C)n(-c2ccc(CO)cc2[N+](=O)[O-])n1 ZINC000020468310 187419011 /nfs/dbraw/zinc/41/90/11/187419011.db2.gz CPWLPFAEFCZVCE-UHFFFAOYSA-N 0 0 247.254 1.890 10 5 BDBERN Cc1cnn(CCNc2ncccc2[N+](=O)[O-])c1 ZINC000105793939 179741181 /nfs/dbraw/zinc/74/11/81/179741181.db2.gz RASXXVNVQWOSNK-UHFFFAOYSA-N 0 0 247.258 1.607 10 5 BDBERN CCOc1cc(N2CC=CCN2)ccc1[N+](=O)[O-] ZINC000599112976 349099183 /nfs/dbraw/zinc/09/91/83/349099183.db2.gz UQDKKTLAQOULRZ-UHFFFAOYSA-N 0 0 249.270 1.874 10 5 BDBERN CNc1ncnc(Oc2cccnc2)c1[N+](=O)[O-] ZINC000040595936 187428869 /nfs/dbraw/zinc/42/88/69/187428869.db2.gz PLFOEZJKRPCTLA-UHFFFAOYSA-N 0 0 247.214 1.614 10 5 BDBERN CNc1ncnc(NCc2ccco2)c1[N+](=O)[O-] ZINC000040595702 187428876 /nfs/dbraw/zinc/42/88/76/187428876.db2.gz PRWIMVAALYEHIR-UHFFFAOYSA-N 0 0 249.230 1.632 10 5 BDBERN O=[N+]([O-])c1ccccc1N[C@@H]1C[C@H]1CO ZINC000308961796 349203624 /nfs/dbraw/zinc/20/36/24/349203624.db2.gz ZSWPYPQUGKWXFC-IONNQARKSA-N 0 0 208.217 1.388 10 5 BDBERN C[C@H]1C[C@H]1Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000308972872 349261803 /nfs/dbraw/zinc/26/18/03/349261803.db2.gz HGZHOFSYOLCYCN-CAHLUQPWSA-N 0 0 208.221 1.392 10 5 BDBERN Cc1nc(Oc2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000302265295 180029122 /nfs/dbraw/zinc/02/91/22/180029122.db2.gz FNYMWIKZKBQODG-UHFFFAOYSA-N 0 0 234.215 1.824 10 5 BDBERN Cc1nc([N+](=O)[O-])cn1C[C@@H](O)c1ccccc1 ZINC000000084381 180060620 /nfs/dbraw/zinc/06/06/20/180060620.db2.gz ZMZHLCPYQPGZAO-LLVKDONJSA-N 0 0 247.254 1.833 10 5 BDBERN Cc1nc2nc(N)c([N+](=O)[O-])cc2s1 ZINC000089229497 180114685 /nfs/dbraw/zinc/11/46/85/180114685.db2.gz OFMYXJHNSHJAOH-UHFFFAOYSA-N 0 0 210.218 1.490 10 5 BDBERN N#CNc1nccc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000072448766 187442607 /nfs/dbraw/zinc/44/26/07/187442607.db2.gz QWLFRTXXEYXUEA-UHFFFAOYSA-N 0 0 241.210 1.945 10 5 BDBERN O=[N+]([O-])c1cccnc1NCC[C@@H]1CCCO1 ZINC000037981304 350294684 /nfs/dbraw/zinc/29/46/84/350294684.db2.gz HRIAYUDGAAQRKM-VIFPVBQESA-N 0 0 237.259 1.971 10 5 BDBERN CCOC(=O)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000034147068 351276757 /nfs/dbraw/zinc/27/67/57/351276757.db2.gz YOBKMVIDKOVCBB-JTQLQIEISA-N 0 0 239.227 1.581 10 5 BDBERN Cc1c(C(N)=O)ccc(Cl)c1[N+](=O)[O-] ZINC000307028119 351436300 /nfs/dbraw/zinc/43/63/00/351436300.db2.gz KOAPUWQCFKVCMR-UHFFFAOYSA-N 0 0 214.608 1.656 10 5 BDBERN O=[N+]([O-])c1cncc(Br)c1F ZINC000306815815 353041185 /nfs/dbraw/zinc/04/11/85/353041185.db2.gz DFHDITMOUQZLKS-UHFFFAOYSA-N 0 0 220.985 1.891 10 5 BDBERN Cc1ccc(-n2cncn2)cc1[N+](=O)[O-] ZINC000584613359 358277693 /nfs/dbraw/zinc/27/76/93/358277693.db2.gz FCYIPLNFYCVXKR-UHFFFAOYSA-N 0 0 204.189 1.484 10 5 BDBERN Cc1cc2cc([N+](=O)[O-])ccc2n(C)c1=O ZINC000584614766 358279678 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/nfs/dbraw/zinc/58/18/30/172581830.db2.gz ATWFPEASLGRJDO-UHFFFAOYSA-N 0 0 223.232 1.597 10 5 BDBERN CNC(=O)c1ccc(N[C@H]2C[C@H]2C)c([N+](=O)[O-])c1 ZINC000112466064 173311178 /nfs/dbraw/zinc/31/11/78/173311178.db2.gz GTNXWIHCBYOSES-XCBNKYQSSA-N 0 0 249.270 1.775 10 5 BDBERN COc1ccc(NCc2cn[nH]c2)c([N+](=O)[O-])c1 ZINC000038006568 175152462 /nfs/dbraw/zinc/15/24/62/175152462.db2.gz CZWPDTGYMRKKFN-UHFFFAOYSA-N 0 0 248.242 1.939 10 5 BDBERN COc1ccc(NCc2ncc[nH]2)cc1[N+](=O)[O-] ZINC000083378105 175153490 /nfs/dbraw/zinc/15/34/90/175153490.db2.gz WUXFYINYRODPKQ-UHFFFAOYSA-N 0 0 248.242 1.939 10 5 BDBERN COc1ccnc([N+](=O)[O-])c1OC1CC1 ZINC000095728400 175369143 /nfs/dbraw/zinc/36/91/43/175369143.db2.gz RSXUIHVKLQHHHA-UHFFFAOYSA-N 0 0 210.189 1.540 10 5 BDBERN COc1nc([N+](=O)[O-])ccc1OC1CC1 ZINC000095731236 175396766 /nfs/dbraw/zinc/39/67/66/175396766.db2.gz LAWVIFZRNPOBSN-UHFFFAOYSA-N 0 0 210.189 1.540 10 5 BDBERN C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(N)c1 ZINC000054414144 176107653 /nfs/dbraw/zinc/10/76/53/176107653.db2.gz QSMSNDNISSDARS-MRVPVSSYSA-N 0 0 249.270 1.802 10 5 BDBERN C[C@H]1CN(c2c([N+](=O)[O-])ncn2C)CCS1 ZINC000264198304 177276221 /nfs/dbraw/zinc/27/62/21/177276221.db2.gz HYVYRMACXOTONJ-ZETCQYMHSA-N 0 0 242.304 1.270 10 5 BDBERN C[C@H]1C[C@@H]1Nc1cc(N)ccc1[N+](=O)[O-] ZINC000193407921 177350907 /nfs/dbraw/zinc/35/09/07/177350907.db2.gz OUIAWQYKXHFYAI-XPUUQOCRSA-N 0 0 207.233 1.997 10 5 BDBERN C[C@H]1C[C@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000052288547 177384701 /nfs/dbraw/zinc/38/47/01/177384701.db2.gz ODBXMPVAKUWULX-IMTBSYHQSA-N 0 0 238.218 1.872 10 5 BDBERN O=[N+]([O-])c1cccc([C@@H]2CO[C@@H](CO)C2)c1 ZINC000536957155 323968041 /nfs/dbraw/zinc/96/80/41/323968041.db2.gz FZWYNPKHGULRLN-GXSJLCMTSA-N 0 0 223.228 1.460 10 5 BDBERN Cn1ccc(-c2ccc(C=O)cc2[N+](=O)[O-])n1 ZINC000725263193 538090081 /nfs/dbraw/zinc/09/00/81/538090081.db2.gz VEHUGIKGPAIZRM-UHFFFAOYSA-N 0 0 231.211 1.808 10 5 BDBERN CC(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000104417045 592613356 /nfs/dbraw/zinc/61/33/56/592613356.db2.gz XFBWRVUCJPTLCB-JTQLQIEISA-N 0 0 249.270 1.795 10 5 BDBERN C[C@H](O)[C@H](C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000309896815 633912246 /nfs/dbraw/zinc/91/22/46/633912246.db2.gz GCKMWFBAMZGJPQ-WDSKDSINSA-N 0 0 245.666 1.824 10 5 BDBERN C[C@@H](O)[C@@H](C)Nc1ccc([N+](=O)[O-])s1 ZINC000307147561 643413189 /nfs/dbraw/zinc/41/31/89/643413189.db2.gz OJZQBITWRSXHAA-PHDIDXHHSA-N 0 0 216.262 1.838 10 5 BDBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)[C@@H](C)O ZINC000340872616 643465560 /nfs/dbraw/zinc/46/55/60/643465560.db2.gz IUGRPYNATUMUNV-RNFRBKRXSA-N 0 0 242.279 1.301 10 5 BDBERN C[C@H](Nc1ccc([N+](=O)[O-])nc1)c1cn(C)nn1 ZINC000720523101 712849308 /nfs/dbraw/zinc/84/93/08/712849308.db2.gz MRIHAOITPNQSRK-ZETCQYMHSA-N 0 0 248.246 1.291 10 5 BDBERN CCN1Cc2cccc([N+](=O)[O-])c2C1=O ZINC000685958451 538905805 /nfs/dbraw/zinc/90/58/05/538905805.db2.gz NYNSSGNINPSORB-UHFFFAOYSA-N 0 0 206.201 1.571 10 5 BDBERN C=C(OCC)c1ccc(N)c([N+](=O)[O-])n1 ZINC000685965130 538911396 /nfs/dbraw/zinc/91/13/96/538911396.db2.gz PPVKHWVNDSPXKZ-UHFFFAOYSA-N 0 0 209.205 1.579 10 5 BDBERN Cc1ccc(-c2n[nH]c(=S)[nH]2)cc1[N+](=O)[O-] ZINC000008550911 178336062 /nfs/dbraw/zinc/33/60/62/178336062.db2.gz FYYIEXZHECEECC-UHFFFAOYSA-N 0 0 236.256 1.977 10 5 BDBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC=CCN1 ZINC000600137202 342688876 /nfs/dbraw/zinc/68/88/76/342688876.db2.gz KEYXSYQRYXBUCH-UHFFFAOYSA-N 0 0 247.254 1.420 10 5 BDBERN O=[N+]([O-])c1cccc(O[C@H]2CCC[C@H]2O)c1 ZINC000037696189 538963829 /nfs/dbraw/zinc/96/38/29/538963829.db2.gz DILHHWUESATYNX-MNOVXSKESA-N 0 0 223.228 1.887 10 5 BDBERN CN(C)c1cc(C=O)sc1[N+](=O)[O-] ZINC000039117759 538968692 /nfs/dbraw/zinc/96/86/92/538968692.db2.gz ILNGPVDKBRMULQ-UHFFFAOYSA-N 0 0 200.219 1.535 10 5 BDBERN CCOC(=O)/C=C/CCCC[N+](=O)[O-] ZINC000149972411 342794379 /nfs/dbraw/zinc/79/43/79/342794379.db2.gz HIUJXUODZHOHJH-FNORWQNLSA-N 0 0 201.222 1.553 10 5 BDBERN O=[N+]([O-])c1cnccc1N[C@@H]1CCC[C@@H](O)C1 ZINC000608973013 342856550 /nfs/dbraw/zinc/85/65/50/342856550.db2.gz ZCRNIEMJMGLPEJ-RKDXNWHRSA-N 0 0 237.259 1.127 10 5 BDBERN C[C@H]([C@@H](O)c1ccccc1[N+](=O)[O-])[N+](=O)[O-] ZINC000036456761 343005222 /nfs/dbraw/zinc/00/52/22/343005222.db2.gz CXGZYCVDPAEDKI-HZGVNTEJSA-N 0 0 226.188 1.293 10 5 BDBERN C[C@H]([C@H](O)c1ccccc1[N+](=O)[O-])[N+](=O)[O-] ZINC000036456759 343005336 /nfs/dbraw/zinc/00/53/36/343005336.db2.gz CXGZYCVDPAEDKI-MUWHJKNJSA-N 0 0 226.188 1.293 10 5 BDBERN O=[N+]([O-])c1cc(OC(F)(F)F)c(CO)cn1 ZINC000309331674 343293591 /nfs/dbraw/zinc/29/35/91/343293591.db2.gz SZLINCZVMGWACA-UHFFFAOYSA-N 0 0 238.121 1.381 10 5 BDBERN COc1ccnc(OC(F)(F)F)c1[N+](=O)[O-] ZINC000309366107 343333086 /nfs/dbraw/zinc/33/30/86/343333086.db2.gz ORXUNUKIIMKVRV-UHFFFAOYSA-N 0 0 238.121 1.897 10 5 BDBERN O=[N+]([O-])c1ccc(COCCO)c(F)c1 ZINC000205577648 343634194 /nfs/dbraw/zinc/63/41/94/343634194.db2.gz HJJGWHIYLSPKFM-UHFFFAOYSA-N 0 0 215.180 1.243 10 5 BDBERN O=[N+]([O-])c1ccccc1[C@@H]1NCCS1 ZINC000050522770 259369929 /nfs/dbraw/zinc/36/99/29/259369929.db2.gz AWFBYJJTXNGJMS-SECBINFHSA-N 0 0 210.258 1.930 10 5 BDBERN Cc1cn(-c2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC000216649888 344150564 /nfs/dbraw/zinc/15/05/64/344150564.db2.gz JDEBDWJWUVXBGE-UHFFFAOYSA-N 0 0 218.216 1.671 10 5 BDBERN Cn1cncc1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000217067480 344182439 /nfs/dbraw/zinc/18/24/39/344182439.db2.gz SYORTIOIWDOLFE-UHFFFAOYSA-N 0 0 231.211 1.559 10 5 BDBERN CCOC(=O)c1noc2cc([N+](=O)[O-])ccc21 ZINC000096321012 344373525 /nfs/dbraw/zinc/37/35/25/344373525.db2.gz IUOFIXUHTHGITL-UHFFFAOYSA-N 0 0 236.183 1.913 10 5 BDBERN COC(=O)c1cnc2[nH]cc([N+](=O)[O-])c2c1 ZINC000044712781 344544842 /nfs/dbraw/zinc/54/48/42/344544842.db2.gz KHDGNMSRVMZGBJ-UHFFFAOYSA-N 0 0 221.172 1.258 10 5 BDBERN Cc1cc(N[C@@H]2CCC[C@@H]2O)ncc1[N+](=O)[O-] ZINC000074764956 344755047 /nfs/dbraw/zinc/75/50/47/344755047.db2.gz GZJACLIUCWRLOL-SCZZXKLOSA-N 0 0 237.259 1.624 10 5 BDBERN O=[N+]([O-])c1cc(CO)c(Cl)c([N+](=O)[O-])c1 ZINC000238723182 344989829 /nfs/dbraw/zinc/98/98/29/344989829.db2.gz CGELEZNRBVPYRL-UHFFFAOYSA-N 0 0 232.579 1.649 10 5 BDBERN Cc1ccc([C@@H](C)NC2COC2)cc1[N+](=O)[O-] ZINC000094710012 178838814 /nfs/dbraw/zinc/83/88/14/178838814.db2.gz UBQUDXWNURZAAT-SECBINFHSA-N 0 0 236.271 1.953 10 5 BDBERN Cc1cccc([N+](=O)[O-])c1N[C@@H]1C[C@H]1CO ZINC000378793824 345567877 /nfs/dbraw/zinc/56/78/77/345567877.db2.gz PFKUEYQQDFTPDV-DTWKUNHWSA-N 0 0 222.244 1.696 10 5 BDBERN CN1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000146790589 345714643 /nfs/dbraw/zinc/71/46/43/345714643.db2.gz XHDRLJKKFWUIPJ-UHFFFAOYSA-N 0 0 239.250 1.486 10 5 BDBERN C[C@H](O)COc1c(F)c(F)ccc1[N+](=O)[O-] ZINC000034347704 345821576 /nfs/dbraw/zinc/82/15/76/345821576.db2.gz APSOJUZMKUMRAK-YFKPBYRVSA-N 0 0 233.170 1.633 10 5 BDBERN CC(C)OC(=O)[C@H](C[N+](=O)[O-])c1ccccc1 ZINC000215135505 345839802 /nfs/dbraw/zinc/83/98/02/345839802.db2.gz ICCZQFXZRIBZMY-LLVKDONJSA-N 0 0 237.255 1.999 10 5 BDBERN COCCOc1cc(N)ccc1[N+](=O)[O-] ZINC000143194689 345865359 /nfs/dbraw/zinc/86/53/59/345865359.db2.gz QWNDEMKSHWFLRH-UHFFFAOYSA-N 0 0 212.205 1.202 10 5 BDBERN O=[N+]([O-])c1cc(F)c(NC2C[NH2+]C2)c(F)c1 ZINC000236200535 346207440 /nfs/dbraw/zinc/20/74/40/346207440.db2.gz AJVLZXPEUCUSDX-UHFFFAOYSA-N 0 0 229.186 1.257 10 5 BDBERN O=[N+]([O-])c1ccc([C@@H]2NCCS2)s1 ZINC000236407462 346236583 /nfs/dbraw/zinc/23/65/83/346236583.db2.gz MPMVRKFGZIUKLI-SSDOTTSWSA-N 0 0 216.287 1.991 10 5 BDBERN O=c1[nH]c2cc([N+](=O)[O-])c(F)cc2s1 ZINC000034196681 346221200 /nfs/dbraw/zinc/22/12/00/346221200.db2.gz JVOFJNPTDFAEEG-UHFFFAOYSA-N 0 0 214.177 1.637 10 5 BDBERN COC(=O)c1cc(OC)cc(OC)c1[N+](=O)[O-] ZINC000034328928 346246261 /nfs/dbraw/zinc/24/62/61/346246261.db2.gz DDOYQQHBKAOSLB-UHFFFAOYSA-N 0 0 241.199 1.399 10 5 BDBERN Cc1cccc(C)c1S(=O)(=O)C[N+](=O)[O-] ZINC000100336836 179048994 /nfs/dbraw/zinc/04/89/94/179048994.db2.gz IKODJCPZKSJKPF-UHFFFAOYSA-N 0 0 229.257 1.311 10 5 BDBERN O=[N+]([O-])c1ccc(-c2ccc([N+](=O)[O-])cn2)nc1 ZINC000034606997 347225293 /nfs/dbraw/zinc/22/52/93/347225293.db2.gz RMAKYXFYASJVKA-UHFFFAOYSA-N 0 0 246.182 1.960 10 5 BDBERN Cc1cccc2c1c([N+](=O)[O-])cc[n+]2[O-] ZINC000005782741 179225840 /nfs/dbraw/zinc/22/58/40/179225840.db2.gz WPQVMRHYELDDMA-UHFFFAOYSA-N 0 0 204.185 1.690 10 5 BDBERN Cc1ccc(N2CCOCC2=O)cc1[N+](=O)[O-] ZINC000725244183 537996384 /nfs/dbraw/zinc/99/63/84/537996384.db2.gz JCSXGCAQZDACFZ-UHFFFAOYSA-N 0 0 236.227 1.266 10 5 BDBERN Nc1ccc2c(=O)c3cccnc3nc-2[nH]1 ZINC000026459704 187391819 /nfs/dbraw/zinc/39/18/19/187391819.db2.gz FJHCDOWHZMPEEJ-UHFFFAOYSA-N 0 0 212.212 1.054 10 5 BDBERN CC(=O)c1c([N+](=O)[O-])cnn1[C@@H]1CCCCO1 ZINC000224871511 348264947 /nfs/dbraw/zinc/26/49/47/348264947.db2.gz VUWXHAHTJLICRE-VIFPVBQESA-N 0 0 239.231 1.693 10 5 BDBERN C[C@@H]1C[C@@H]1Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596107348 348441115 /nfs/dbraw/zinc/44/11/15/348441115.db2.gz HHJFOHNQRTWUEN-VDTYLAMSSA-N 0 0 209.205 1.516 10 5 BDBERN Cc1ccc(N[C@@H]2CCNC2=O)c([N+](=O)[O-])c1 ZINC000596311517 348504079 /nfs/dbraw/zinc/50/40/79/348504079.db2.gz MKZRVHJGOHDAAP-SECBINFHSA-N 0 0 235.243 1.204 10 5 BDBERN COc1nc(-n2cc([N+](=O)[O-])cn2)cs1 ZINC000725253453 538037715 /nfs/dbraw/zinc/03/77/15/538037715.db2.gz LJWYEEQIPKVHDS-UHFFFAOYSA-N 0 0 226.217 1.246 10 5 BDBERN Cc1nc(N[C@@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000268468973 180022094 /nfs/dbraw/zinc/02/20/94/180022094.db2.gz IZXGUGQKBFIIQQ-SCZZXKLOSA-N 0 0 237.259 1.624 10 5 BDBERN Cc1nc2cc([N+](=O)[O-])ccc2c(=O)[nH]1 ZINC000003161581 180086785 /nfs/dbraw/zinc/08/67/85/180086785.db2.gz VADFPLYOLRQHBF-UHFFFAOYSA-N 0 0 205.173 1.140 10 5 BDBERN Cc1nn(CC(C)(C)C)c(N)c1[N+](=O)[O-] ZINC000043671012 180386255 /nfs/dbraw/zinc/38/62/55/180386255.db2.gz HWKFJOUCOIAFPP-UHFFFAOYSA-N 0 0 212.253 1.728 10 5 BDBERN C[C@H](CNc1ccc([N+](=O)[O-])cc1)[S@](C)=O ZINC000159726013 350986237 /nfs/dbraw/zinc/98/62/37/350986237.db2.gz ISPVTFGUJYKCEG-VPTHRUTESA-N 0 0 242.300 1.774 10 5 BDBERN C[C@@H](CNc1ncccc1[N+](=O)[O-])[S@](C)=O ZINC000159859100 351017876 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/nfs/dbraw/zinc/27/83/89/173278389.db2.gz NDBCUTLURDOGKD-UHFFFAOYSA-N 0 0 223.232 1.061 10 5 BDBERN CNc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]2C)c1 ZINC000052302784 173480826 /nfs/dbraw/zinc/48/08/26/173480826.db2.gz KHOMZMOTRHSKCE-GMSGAONNSA-N 0 0 249.270 1.775 10 5 BDBERN COC(=O)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000095913290 173499854 /nfs/dbraw/zinc/49/98/54/173499854.db2.gz VUYFMQGRNINLTR-UHFFFAOYSA-N 0 0 248.194 1.432 10 5 BDBERN COc1cc(OC)c([N+](=O)[O-])c(C(C)=O)c1 ZINC000098179173 175007990 /nfs/dbraw/zinc/00/79/90/175007990.db2.gz AWUSWXTYPLNZLP-UHFFFAOYSA-N 0 0 225.200 1.815 10 5 BDBERN COc1ccc2c(c1[N+](=O)[O-])CCC2=O ZINC000091301900 175222847 /nfs/dbraw/zinc/22/28/47/175222847.db2.gz AHVKTWTVGFXSON-UHFFFAOYSA-N 0 0 207.185 1.732 10 5 BDBERN C[C@@H](c1cccc([N+](=O)[O-])c1)n1nccc1N ZINC000019689330 176018843 /nfs/dbraw/zinc/01/88/43/176018843.db2.gz ABGOYEWLUPBBRU-QMMMGPOBSA-N 0 0 232.243 1.983 10 5 BDBERN C[C@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000052291352 177350714 /nfs/dbraw/zinc/35/07/14/177350714.db2.gz KZEJIXSDCZWCCQ-FSPLSTOPSA-N 0 0 234.215 1.951 10 5 BDBERN Cc1cnn(CCNc2ncc([N+](=O)[O-])cn2)c1 ZINC000230389050 487481214 /nfs/dbraw/zinc/48/12/14/487481214.db2.gz YHQBPSHBQPVWHL-UHFFFAOYSA-N 0 0 248.246 1.002 10 5 BDBERN Cc1c2c(c(F)cc1[N+](=O)[O-])NC(=O)C2=O ZINC000757192845 586435992 /nfs/dbraw/zinc/43/59/92/586435992.db2.gz WDHDQGCSJXKMNR-UHFFFAOYSA-N 0 0 224.147 1.177 10 5 BDBERN C[C@H](O)c1ccn(Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000128746181 591158112 /nfs/dbraw/zinc/15/81/12/591158112.db2.gz KMVPSWJVAHNMKT-VIFPVBQESA-N 0 0 247.254 1.893 10 5 BDBERN C[C@@H](Nc1ccc([N+](=O)[O-])cn1)[C@H](C)O ZINC000309041892 631824679 /nfs/dbraw/zinc/82/46/79/631824679.db2.gz LRQVTYUQZGMLGC-RQJHMYQMSA-N 0 0 211.221 1.171 10 5 BDBERN COC1CC(Nc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000310507252 632746413 /nfs/dbraw/zinc/74/64/13/632746413.db2.gz KVUIWQCVKRTWSE-UHFFFAOYSA-N 0 0 238.247 1.161 10 5 BDBERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)[C@H](C)O ZINC000309838238 633823477 /nfs/dbraw/zinc/82/34/77/633823477.db2.gz BTCNKPACLWMMCH-RQJHMYQMSA-N 0 0 228.223 1.915 10 5 BDBERN COC(=O)Cc1nc2cc([N+](=O)[O-])ccc2n1C ZINC000196183309 398225908 /nfs/dbraw/zinc/22/59/08/398225908.db2.gz IPFIYMDMIWIMHX-UHFFFAOYSA-N 0 0 249.226 1.197 10 5 BDBERN Cc1cc([N+](=O)[O-])c(Br)c(C)[n+]1[O-] ZINC000098178773 178269910 /nfs/dbraw/zinc/26/99/10/178269910.db2.gz OQABUZSPGRDPSM-UHFFFAOYSA-N 0 0 247.048 1.608 10 5 BDBERN CCOC(=O)Cc1cc([N+](=O)[O-])ccc1N ZINC000309158039 342897836 /nfs/dbraw/zinc/89/78/36/342897836.db2.gz VLSHZGFYEMOHGX-UHFFFAOYSA-N 0 0 224.216 1.283 10 5 BDBERN COc1ccnc([N+](=O)[O-])c1OC(F)(F)F ZINC000309230169 342915775 /nfs/dbraw/zinc/91/57/75/342915775.db2.gz WKJFCZBWMUODNF-UHFFFAOYSA-N 0 0 238.121 1.897 10 5 BDBERN COc1ccc([N+](=O)[O-])c(-n2cccc2)n1 ZINC000039019260 398329322 /nfs/dbraw/zinc/32/93/22/398329322.db2.gz NRBHEFUHIDJZOH-UHFFFAOYSA-N 0 0 219.200 1.789 10 5 BDBERN CC[C@H](O)Cc1onc(C)c1[N+](=O)[O-] ZINC000149284628 343424930 /nfs/dbraw/zinc/42/49/30/343424930.db2.gz XWAORUVEECJPKC-LURJTMIESA-N 0 0 200.194 1.205 10 5 BDBERN CC[C@H]([C@H](C(=O)OC)c1ccccc1)[N+](=O)[O-] ZINC000205234908 343621031 /nfs/dbraw/zinc/62/10/31/343621031.db2.gz IMXWBWVDVOOMDQ-GHMZBOCLSA-N 0 0 237.255 1.999 10 5 BDBERN CCOC(=O)/C=C(\c1ccccc1)[N+](=O)[O-] ZINC000205481863 343630500 /nfs/dbraw/zinc/63/05/00/343630500.db2.gz AQYUKJJXFJAXIT-CSKARUKUSA-N 0 0 221.212 1.867 10 5 BDBERN O=[N+]([O-])c1cc(Cl)nc(-n2ccnc2)c1 ZINC000236040880 344287301 /nfs/dbraw/zinc/28/73/01/344287301.db2.gz KPHOBFKQXQGAPA-UHFFFAOYSA-N 0 0 224.607 1.829 10 5 BDBERN COC(=O)Cc1cccc([N+](=O)[O-])c1Cl ZINC000238395187 344448374 /nfs/dbraw/zinc/44/83/74/344448374.db2.gz WQOPEQREKVCMQG-UHFFFAOYSA-N 0 0 229.619 1.964 10 5 BDBERN COc1ccc(C=O)c(OC)c1[N+](=O)[O-] ZINC000396111848 344605378 /nfs/dbraw/zinc/60/53/78/344605378.db2.gz KKXAMDHDCONILA-UHFFFAOYSA-N 0 0 211.173 1.425 10 5 BDBERN CSc1nc(Cl)ncc1[N+](=O)[O-] ZINC000235069000 344758089 /nfs/dbraw/zinc/75/80/89/344758089.db2.gz PHSDSACIZGVWPS-UHFFFAOYSA-N 0 0 205.626 1.760 10 5 BDBERN O=[N+]([O-])c1cnccc1NCC[C@@H]1CCCO1 ZINC000038097471 344780603 /nfs/dbraw/zinc/78/06/03/344780603.db2.gz AQJUWPUGMBKQOI-VIFPVBQESA-N 0 0 237.259 1.971 10 5 BDBERN O=[N+]([O-])c1ccc([C@H]2NCCS2)s1 ZINC000236407536 346236375 /nfs/dbraw/zinc/23/63/75/346236375.db2.gz MPMVRKFGZIUKLI-ZETCQYMHSA-N 0 0 216.287 1.991 10 5 BDBERN O=[N+]([O-])c1ccc(CN2CC(O)(C3CC3)C2)cc1 ZINC000089678509 362922251 /nfs/dbraw/zinc/92/22/51/362922251.db2.gz IMFXAZMXPGJWPN-UHFFFAOYSA-N 0 0 248.282 1.552 10 5 BDBERN O=c1[nH]c(=O)c2ccc3[nH]cnc4ccc1c2c43 ZINC000205332983 348492280 /nfs/dbraw/zinc/49/22/80/348492280.db2.gz CCDHDINTRZTUIJ-UHFFFAOYSA-N 0 0 237.218 1.356 10 5 BDBERN O=[N+]([O-])c1ccccc1NC1CC(CO)C1 ZINC000596569114 348581375 /nfs/dbraw/zinc/58/13/75/348581375.db2.gz QZTPANWBMITAOR-UHFFFAOYSA-N 0 0 222.244 1.778 10 5 BDBERN Cc1cc(N2CC=CCN2)ccc1[N+](=O)[O-] ZINC000599113073 349099188 /nfs/dbraw/zinc/09/91/88/349099188.db2.gz YMWHGLQQGDSLCJ-UHFFFAOYSA-N 0 0 219.244 1.784 10 5 BDBERN Cc1ccnc(N2CC=CCN2)c1[N+](=O)[O-] ZINC000599111436 349099274 /nfs/dbraw/zinc/09/92/74/349099274.db2.gz CXSOFGAWLPJHRB-UHFFFAOYSA-N 0 0 220.232 1.179 10 5 BDBERN C[C@H](O)c1cc([N+](=O)[O-])c(N(C)C)s1 ZINC000159326494 350022544 /nfs/dbraw/zinc/02/25/44/350022544.db2.gz CZQYGZCWCGPRAI-YFKPBYRVSA-N 0 0 216.262 1.776 10 5 BDBERN CC1(C)C[C@H](O)C[C@](C)(C[N+](=O)[O-])C1 ZINC000104838781 191066411 /nfs/dbraw/zinc/06/64/11/191066411.db2.gz IFLQVDZLJLGAKC-WPRPVWTQSA-N 0 0 201.266 1.840 10 5 BDBERN Cc1nn(C2CCSCC2)c(N)c1[N+](=O)[O-] ZINC000043671046 180384075 /nfs/dbraw/zinc/38/40/75/180384075.db2.gz BOLPCRBFTQOEIO-UHFFFAOYSA-N 0 0 242.304 1.750 10 5 BDBERN CN(C)c1cncc(OC2CC2)c1[N+](=O)[O-] ZINC000095719884 187455897 /nfs/dbraw/zinc/45/58/97/187455897.db2.gz PKJIOAARTFINKO-UHFFFAOYSA-N 0 0 223.232 1.597 10 5 BDBERN Cc1cc(C(=O)N2CC=CCN2)cc([N+](=O)[O-])c1 ZINC000600137274 350946444 /nfs/dbraw/zinc/94/64/44/350946444.db2.gz MVCYTVJBTUSEMP-UHFFFAOYSA-N 0 0 247.254 1.420 10 5 BDBERN C[C@@H]1C[C@@H]1Nc1ccc(N)cc1[N+](=O)[O-] ZINC000287954049 187535933 /nfs/dbraw/zinc/53/59/33/187535933.db2.gz QPZRHHXYXBCSFV-MUWHJKNJSA-N 0 0 207.233 1.997 10 5 BDBERN CCCN1Cc2c(cccc2[N+](=O)[O-])C1=O ZINC000223930641 538101820 /nfs/dbraw/zinc/10/18/20/538101820.db2.gz BILMTDPGVLBKCP-UHFFFAOYSA-N 0 0 220.228 1.961 10 5 BDBERN Nc1nc2c(cc(F)cc2[N+](=O)[O-])s1 ZINC000044713327 352384313 /nfs/dbraw/zinc/38/43/13/352384313.db2.gz DWCGVQUKISZNMI-UHFFFAOYSA-N 0 0 213.193 1.926 10 5 BDBERN Nc1ccc(C(F)(F)F)nc1[N+](=O)[O-] ZINC000307414150 352588398 /nfs/dbraw/zinc/58/83/98/352588398.db2.gz VUPOJLHHHWSPJY-UHFFFAOYSA-N 0 0 207.111 1.591 10 5 BDBERN CCOc1cnc([N+](=O)[O-])c(OCC)c1 ZINC000000331188 188099748 /nfs/dbraw/zinc/09/97/48/188099748.db2.gz DTZZORVJMAGUDK-UHFFFAOYSA-N 0 0 212.205 1.787 10 5 BDBERN CC(=O)CCOc1cccc([N+](=O)[O-])c1 ZINC000037978899 188116355 /nfs/dbraw/zinc/11/63/55/188116355.db2.gz ADCVCCIYHAGTMN-UHFFFAOYSA-N 0 0 209.201 1.953 10 5 BDBERN Cc1c(C=O)cnn1-c1cccc([N+](=O)[O-])c1 ZINC000048218291 188124955 /nfs/dbraw/zinc/12/49/55/188124955.db2.gz MQNZHGXVIZXOFS-UHFFFAOYSA-N 0 0 231.211 1.901 10 5 BDBERN CC(C)N(CCO)c1cc(F)ccc1[N+](=O)[O-] ZINC000052121486 188126146 /nfs/dbraw/zinc/12/61/46/188126146.db2.gz FTZFCPHXFKUHMG-UHFFFAOYSA-N 0 0 242.250 1.941 10 5 BDBERN NC(=O)CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000035186037 181236986 /nfs/dbraw/zinc/23/69/86/181236986.db2.gz YYGXDXBPTUFXKQ-UHFFFAOYSA-N 0 0 246.226 1.040 10 5 BDBERN CCNc1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000073681403 357924747 /nfs/dbraw/zinc/92/47/47/357924747.db2.gz SYNKPEGJSGDINT-UHFFFAOYSA-N 0 0 224.216 1.813 10 5 BDBERN Cn1cc2c(=O)[nH]c(=O)cc-2c2ccccc21 ZINC000584596704 358254537 /nfs/dbraw/zinc/25/45/37/358254537.db2.gz NDKAMFWSIZPUDU-UHFFFAOYSA-N 0 0 226.235 1.744 10 5 BDBERN COC(=O)[C@@H](F)c1cc(OC)ccc1[N+](=O)[O-] ZINC000584606735 358266655 /nfs/dbraw/zinc/26/66/55/358266655.db2.gz OYDQDFOQZISHRN-VIFPVBQESA-N 0 0 243.190 1.787 10 5 BDBERN C[C@@]1(O)CCN[C@@H](c2cccs2)[C@@H]1[N+](=O)[O-] ZINC000584608747 358269190 /nfs/dbraw/zinc/26/91/90/358269190.db2.gz XFRVMFVCNYXMNF-LPEHRKFASA-N 0 0 242.300 1.179 10 5 BDBERN COc1ccc(-n2cc([N+](=O)[O-])cn2)cn1 ZINC000584626624 358295784 /nfs/dbraw/zinc/29/57/84/358295784.db2.gz WOWNFRGREJYQBY-UHFFFAOYSA-N 0 0 220.188 1.184 10 5 BDBERN CC(C)(O)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000584632685 358315219 /nfs/dbraw/zinc/31/52/19/358315219.db2.gz QIEVNXPCTGAVSP-UHFFFAOYSA-N 0 0 223.228 1.477 10 5 BDBERN Cc1cn(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000584636148 358320626 /nfs/dbraw/zinc/32/06/26/358320626.db2.gz DJGJXDCYDWIFMA-UHFFFAOYSA-N 0 0 204.189 1.484 10 5 BDBERN O=c1[nH]c2c(nc3ncccn32)c2ccccc21 ZINC000045348936 358410992 /nfs/dbraw/zinc/41/09/92/358410992.db2.gz ZREWYLZFFAQUQO-UHFFFAOYSA-N 0 0 236.234 1.724 10 5 BDBERN NOc1cc(Br)cc([N+](=O)[O-])c1 ZINC000306209956 359302425 /nfs/dbraw/zinc/30/24/25/359302425.db2.gz CQTKXBJEKNHNQU-UHFFFAOYSA-N 0 0 233.021 1.610 10 5 BDBERN NC(=O)c1ccc([N+](=O)[O-])c(OC2CC2)c1 ZINC000095736838 181301818 /nfs/dbraw/zinc/30/18/18/181301818.db2.gz MXNUSQWJVZVPGL-UHFFFAOYSA-N 0 0 222.200 1.235 10 5 BDBERN C[C@@]1(Cn2cc([N+](=O)[O-])nc2Cl)CO1 ZINC000034826084 259520262 /nfs/dbraw/zinc/52/02/62/259520262.db2.gz SZMDGYNOADBVSR-SSDOTTSWSA-N 0 0 217.612 1.234 10 5 BDBERN COC(=O)Cc1c(O)cccc1[N+](=O)[O-] ZINC000238383037 360988931 /nfs/dbraw/zinc/98/89/31/360988931.db2.gz MMTQNYQKOSHXCQ-UHFFFAOYSA-N 0 0 211.173 1.016 10 5 BDBERN Cc1[nH]c(-c2ccccc2[N+](=O)[O-])cc1C(N)=O ZINC000226109941 368368041 /nfs/dbraw/zinc/36/80/41/368368041.db2.gz JBQNFLNNZLJDBL-UHFFFAOYSA-N 0 0 245.238 1.997 10 5 BDBERN Cc1cc([N+](=O)[O-])c(Br)nc1N ZINC000048520927 368377488 /nfs/dbraw/zinc/37/74/88/368377488.db2.gz YBCVRFPECGPADF-UHFFFAOYSA-N 0 0 232.037 1.643 10 5 BDBERN O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@@H](O)C2)cn1 ZINC000603865772 371938438 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SUWCIVTTWSOREK-UHFFFAOYSA-N 0 0 238.121 1.381 10 5 BDBERN COc1ccccc1[C@H](O)[C@@H](C)[N+](=O)[O-] ZINC000148189976 343389987 /nfs/dbraw/zinc/38/99/87/343389987.db2.gz JTQOMHDMLSERRE-GMSGAONNSA-N 0 0 211.217 1.394 10 5 BDBERN CO[S@@](=O)c1cccc([N+](=O)[O-])c1 ZINC000196313348 343630600 /nfs/dbraw/zinc/63/06/00/343630600.db2.gz JZOMXGCPKQDBEH-CYBMUJFWSA-N 0 0 201.203 1.264 10 5 BDBERN C=CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000206878847 343713392 /nfs/dbraw/zinc/71/33/92/343713392.db2.gz WTABUBJASCCHRC-UHFFFAOYSA-N 0 0 218.168 1.334 10 5 BDBERN COc1ccc([N+](=O)[O-])c2c1C(=O)CCO2 ZINC000309330782 347036176 /nfs/dbraw/zinc/03/61/76/347036176.db2.gz VYAVIPWRYREBSX-UHFFFAOYSA-N 0 0 223.184 1.569 10 5 BDBERN COc1cc(N=S(C)(C)=O)cc([N+](=O)[O-])c1 ZINC000220463506 344333629 /nfs/dbraw/zinc/33/36/29/344333629.db2.gz LAIWQGWFSWJVFY-UHFFFAOYSA-N 0 0 244.272 1.963 10 5 BDBERN O=[N+]([O-])c1cnccc1NCC1CC(O)C1 ZINC000084448748 344431770 /nfs/dbraw/zinc/43/17/70/344431770.db2.gz NWALBMNWSVTXGT-UHFFFAOYSA-N 0 0 223.232 1.173 10 5 BDBERN Cc1c2c(ccc1[N+](=O)[O-])C(=O)C(=O)N2 ZINC000019279672 344452603 /nfs/dbraw/zinc/45/26/03/344452603.db2.gz XINFJUOXGHWKTD-UHFFFAOYSA-N 0 0 206.157 1.038 10 5 BDBERN CCS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000014256465 344463684 /nfs/dbraw/zinc/46/36/84/344463684.db2.gz RXPOIYGQBAGOOY-UHFFFAOYSA-N 0 0 248.235 1.496 10 5 BDBERN Cn1cnc([N+](=O)[O-])c1CN1C[C@@H]2CCC[C@H]21 ZINC000408291722 344464485 /nfs/dbraw/zinc/46/44/85/344464485.db2.gz PVTXTUJSTNTQNI-DTWKUNHWSA-N 0 0 236.275 1.313 10 5 BDBERN Nc1ccc([N+](=O)[O-])c(OC(F)(F)F)n1 ZINC000238602977 344657427 /nfs/dbraw/zinc/65/74/27/344657427.db2.gz UXUWRWJIHRNRLM-UHFFFAOYSA-N 0 0 223.110 1.471 10 5 BDBERN O=[N+]([O-])c1ccccc1N[C@H]1CCC[C@H]1O ZINC000077994110 344829112 /nfs/dbraw/zinc/82/91/12/344829112.db2.gz LOKUYNQCYWRTCF-GXSJLCMTSA-N 0 0 222.244 1.920 10 5 BDBERN O=[N+]([O-])c1c[nH]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000005117207 344951152 /nfs/dbraw/zinc/95/11/52/344951152.db2.gz AKBWSCCZQFYAFH-UHFFFAOYSA-N 0 0 234.171 1.893 10 5 BDBERN Cc1cccc(N[C@@H]2C[C@H]2CO)c1[N+](=O)[O-] ZINC000378792062 345567934 /nfs/dbraw/zinc/56/79/34/345567934.db2.gz ODTPLNXZVNZLHK-WCBMZHEXSA-N 0 0 222.244 1.696 10 5 BDBERN C[C@@H](CNc1ccccc1[N+](=O)[O-])[S@](C)=O ZINC000159759516 345512802 /nfs/dbraw/zinc/51/28/02/345512802.db2.gz FPXMDXAEBUOYTQ-ZKANADHPSA-N 0 0 242.300 1.774 10 5 BDBERN Cc1ccc([C@H](C)NC2COC2)cc1[N+](=O)[O-] ZINC000094710013 178887983 /nfs/dbraw/zinc/88/79/83/178887983.db2.gz UBQUDXWNURZAAT-VIFPVBQESA-N 0 0 236.271 1.953 10 5 BDBERN CCc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000216456477 347492592 /nfs/dbraw/zinc/49/25/92/347492592.db2.gz MKUVLALLILRQKF-UHFFFAOYSA-N 0 0 209.201 1.944 10 5 BDBERN Cc1nc(NC2CC(CO)C2)ccc1[N+](=O)[O-] ZINC000596568390 348580805 /nfs/dbraw/zinc/58/08/05/348580805.db2.gz MRLBLHQBFNZMIM-UHFFFAOYSA-N 0 0 237.259 1.481 10 5 BDBERN O=[N+]([O-])c1cnc(NC2CC(CO)C2)s1 ZINC000596568454 348580951 /nfs/dbraw/zinc/58/09/51/348580951.db2.gz OXKLDBCHSBUYHN-UHFFFAOYSA-N 0 0 229.261 1.234 10 5 BDBERN Cc1nc(Br)c([N+](=O)[O-])n1C ZINC000013209691 187406101 /nfs/dbraw/zinc/40/61/01/187406101.db2.gz ZNTMHCHYIKJJMI-UHFFFAOYSA-N 0 0 220.026 1.399 10 5 BDBERN CC(C)COc1ncnc(N)c1[N+](=O)[O-] ZINC000082486768 187431929 /nfs/dbraw/zinc/43/19/29/187431929.db2.gz QTGSFOLPHKEPQQ-UHFFFAOYSA-N 0 0 212.209 1.002 10 5 BDBERN COC(=O)Cc1cccc([N+](=O)[O-])c1F ZINC000616578204 349123806 /nfs/dbraw/zinc/12/38/06/349123806.db2.gz NQGJYIVNVCMGIP-UHFFFAOYSA-N 0 0 213.164 1.449 10 5 BDBERN C[C@@H]1C[C@@H]1Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000308972875 349262063 /nfs/dbraw/zinc/26/20/63/349262063.db2.gz HGZHOFSYOLCYCN-VDTYLAMSSA-N 0 0 208.221 1.392 10 5 BDBERN COC(=O)Cn1ccc2c1cccc2[N+](=O)[O-] ZINC000071163719 350089517 /nfs/dbraw/zinc/08/95/17/350089517.db2.gz LGJAQHWTLYOGGA-UHFFFAOYSA-N 0 0 234.211 1.723 10 5 BDBERN C[C@H](Cc1ccco1)n1ncc([N+](=O)[O-])c1N ZINC000062772202 187441026 /nfs/dbraw/zinc/44/10/26/187441026.db2.gz IUXYHJMZBDMOQJ-SSDOTTSWSA-N 0 0 236.231 1.770 10 5 BDBERN Cc1c(F)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC000014985732 350228797 /nfs/dbraw/zinc/22/87/97/350228797.db2.gz RIZQVBDXSQYWAE-UHFFFAOYSA-N 0 0 200.125 1.951 10 5 BDBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CC=CCN1 ZINC000600136495 350933793 /nfs/dbraw/zinc/93/37/93/350933793.db2.gz DDGJGPWDXBGPMQ-UHFFFAOYSA-N 0 0 247.254 1.040 10 5 BDBERN CCOC(=O)[C@H](C)c1ccc([N+](=O)[O-])nc1C ZINC000222917767 351234171 /nfs/dbraw/zinc/23/41/71/351234171.db2.gz JYJGAFFENPIKPF-SSDOTTSWSA-N 0 0 238.243 1.965 10 5 BDBERN C[C@@H](NO)c1cc([N+](=O)[O-])ccc1F ZINC000307440853 352597245 /nfs/dbraw/zinc/59/72/45/352597245.db2.gz ZFPQOWXWEMTZTJ-RXMQYKEDSA-N 0 0 200.169 1.774 10 5 BDBERN COCCCNc1ccc([N+](=O)[O-])cc1N ZINC000052840420 353112762 /nfs/dbraw/zinc/11/27/62/353112762.db2.gz HDUPKQOYCJYASA-UHFFFAOYSA-N 0 0 225.248 1.625 10 5 BDBERN CC1(C)Oc2cc([N+](=O)[O-])cnc2NC1=O ZINC000095760933 188146492 /nfs/dbraw/zinc/14/64/92/188146492.db2.gz WYBJJVBRWPHYNA-UHFFFAOYSA-N 0 0 223.188 1.099 10 5 BDBERN NC(=S)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000083348779 188179120 /nfs/dbraw/zinc/17/91/20/188179120.db2.gz YBOUWMKNHWGZKH-UHFFFAOYSA-N 0 0 216.649 1.882 10 5 BDBERN CCc1nc(N)nc(Cl)c1[N+](=O)[O-] ZINC000074942529 356750882 /nfs/dbraw/zinc/75/08/82/356750882.db2.gz BEBNUNRPHUKYIN-UHFFFAOYSA-N 0 0 202.601 1.183 10 5 BDBERN NC(=O)c1cc(OC2CC2)ccc1[N+](=O)[O-] ZINC000095736645 181291878 /nfs/dbraw/zinc/29/18/78/181291878.db2.gz NZNVPVBAFFCSCP-UHFFFAOYSA-N 0 0 222.200 1.235 10 5 BDBERN CC(=O)C(C(C)=O)[C@H](C[N+](=O)[O-])c1ccccc1 ZINC000100173869 357930137 /nfs/dbraw/zinc/93/01/37/357930137.db2.gz OPKHMCBLQAHSEN-GFCCVEGCSA-N 0 0 249.266 1.841 10 5 BDBERN O=[N+]([O-])c1ccc(-n2ccnn2)cc1[N+](=O)[O-] ZINC000584613452 358277735 /nfs/dbraw/zinc/27/77/35/358277735.db2.gz HVQVAZDUCSFDRO-UHFFFAOYSA-N 0 0 235.159 1.084 10 5 BDBERN Cc1ccc([N+](=O)[O-])cc1-n1cncn1 ZINC000584613443 358277770 /nfs/dbraw/zinc/27/77/70/358277770.db2.gz GYHPMGRWWRVXPD-UHFFFAOYSA-N 0 0 204.189 1.484 10 5 BDBERN CC(=O)[C@@H](C)[C@@H](O)c1ccccc1[N+](=O)[O-] ZINC000584609013 358269819 /nfs/dbraw/zinc/26/98/19/358269819.db2.gz WKHCQWFADOTADN-RDDDGLTNSA-N 0 0 223.228 1.853 10 5 BDBERN O=c1c2ccc(F)cc2nc2ccccn21 ZINC000584632190 358314820 /nfs/dbraw/zinc/31/48/20/358314820.db2.gz MJJZERWJSIDIOV-UHFFFAOYSA-N 0 0 214.199 1.987 10 5 BDBERN C[C@@H]1COC(c2ccc([N+](=O)[O-])cc2)=N1 ZINC000584636156 358320552 /nfs/dbraw/zinc/32/05/52/358320552.db2.gz GVWMNHLTDRCGPQ-SSDOTTSWSA-N 0 0 206.201 1.760 10 5 BDBERN Nc1cnc([N+](=O)[O-])cc1C(F)(F)F ZINC000306411137 359818343 /nfs/dbraw/zinc/81/83/43/359818343.db2.gz OEBLZMNNZHUMCI-UHFFFAOYSA-N 0 0 207.111 1.591 10 5 BDBERN CN(C)C(=S)c1ccccc1[N+](=O)[O-] ZINC000231493508 360507539 /nfs/dbraw/zinc/50/75/39/360507539.db2.gz PHCAKWAZAIUPSG-UHFFFAOYSA-N 0 0 210.258 1.832 10 5 BDBERN NC(=O)c1ccc([N+](=O)[O-])c(N2CCCC2)c1 ZINC000090367472 181302274 /nfs/dbraw/zinc/30/22/74/181302274.db2.gz NKHJYBLKEKQABA-UHFFFAOYSA-N 0 0 235.243 1.294 10 5 BDBERN C[C@H]1O[C@@]2(CS1)C[N+]1([O-])CCC2CC1 ZINC000044699400 259521185 /nfs/dbraw/zinc/52/11/85/259521185.db2.gz DWWHPWWQQISZCA-QPBDYMMBSA-N 0 0 215.318 1.573 10 5 BDBERN NC(=S)c1cc(F)ccc1[N+](=O)[O-] ZINC000039115539 181320400 /nfs/dbraw/zinc/32/04/00/181320400.db2.gz LWCWCBZMHWQVSK-UHFFFAOYSA-N 0 0 200.194 1.368 10 5 BDBERN NC(=S)c1cc(F)c([N+](=O)[O-])cc1F ZINC000083349195 181320639 /nfs/dbraw/zinc/32/06/39/181320639.db2.gz KSLMPFXKGKNNBA-UHFFFAOYSA-N 0 0 218.184 1.507 10 5 BDBERN Nc1nc(OC(F)(F)F)ccc1[N+](=O)[O-] ZINC000238669884 361175673 /nfs/dbraw/zinc/17/56/73/361175673.db2.gz NKSLUGPADZMDTI-UHFFFAOYSA-N 0 0 223.110 1.471 10 5 BDBERN Nc1cc(OC(F)(F)F)nc([N+](=O)[O-])c1 ZINC000238705373 361364341 /nfs/dbraw/zinc/36/43/41/361364341.db2.gz VZLMCUYJTOKKAH-UHFFFAOYSA-N 0 0 223.110 1.471 10 5 BDBERN O=[N+]([O-])c1cccc(F)c1N[C@@H]1C[C@H]1CO ZINC000309559870 370228717 /nfs/dbraw/zinc/22/87/17/370228717.db2.gz IYXRKTQRHZMCGP-POYBYMJQSA-N 0 0 226.207 1.527 10 5 BDBERN O=[N+]([O-])C[C@@H](O)c1ccc(C(F)(F)F)nc1 ZINC000118619294 371032885 /nfs/dbraw/zinc/03/28/85/371032885.db2.gz WJQKQOYPXCBALK-ZCFIWIBFSA-N 0 0 236.149 1.411 10 5 BDBERN O=[N+]([O-])c1cccc(CCN2CCOCC2)c1 ZINC000142416617 373481374 /nfs/dbraw/zinc/48/13/74/373481374.db2.gz VXEWASGHIWSSSH-UHFFFAOYSA-N 0 0 236.271 1.470 10 5 BDBERN O=C1CCOc2c1cc(F)cc2[N+](=O)[O-] ZINC000060052738 182744977 /nfs/dbraw/zinc/74/49/77/182744977.db2.gz GQTVYGLTUVIQTG-UHFFFAOYSA-N 0 0 211.148 1.699 10 5 BDBERN CCCCOc1ncnc(NCC)c1[N+](=O)[O-] ZINC000082486773 168920824 /nfs/dbraw/zinc/92/08/24/168920824.db2.gz RTWMUJHSVROHPM-UHFFFAOYSA-N 0 0 240.263 1.996 10 5 BDBERN O=c1[nH]c2cc3ccccc3cc2oc1=O ZINC000026580181 182973677 /nfs/dbraw/zinc/97/36/77/182973677.db2.gz CORYLGXYKIRWRD-UHFFFAOYSA-N 0 0 213.192 1.635 10 5 BDBERN O=c1[nH]ccc2c3ccccc3oc(=O)c12 ZINC000032249840 182977179 /nfs/dbraw/zinc/97/71/79/182977179.db2.gz VQQMOBFRENEBOI-UHFFFAOYSA-N 0 0 213.192 1.635 10 5 BDBERN O=c1oc(-c2cccc([N+](=O)[O-])c2)ns1 ZINC000001849974 183011988 /nfs/dbraw/zinc/01/19/88/183011988.db2.gz QBAZATRGWRVUFN-UHFFFAOYSA-N 0 0 224.197 1.672 10 5 in-vitro BDBERN CCSCCn1cc([N+](=O)[O-])nc1C ZINC000077292436 170643762 /nfs/dbraw/zinc/64/37/62/170643762.db2.gz URMLZBFXWXJFTF-UHFFFAOYSA-N 0 0 215.278 1.853 10 5 in-vitro BDBERN c1nc2c3nsnc3c3nsnc3c2[nH]1 ZINC000073639842 183539156 /nfs/dbraw/zinc/53/91/56/183539156.db2.gz BXYLGQQGVNPNJM-UHFFFAOYSA-N 0 0 234.269 1.572 10 5 BDBERN CCCc1ncc(O)c(C(=O)OC)c1[N+](=O)[O-] ZINC000071973372 169595519 /nfs/dbraw/zinc/59/55/19/169595519.db2.gz HGVISWWEFUMJKY-UHFFFAOYSA-N 0 0 240.215 1.435 10 5 BDBERN Nc1ncc2c(n1)c1ccccc1[nH]c2=O ZINC000072416408 384111368 /nfs/dbraw/zinc/11/13/68/384111368.db2.gz AMBFOQYEABFDNG-UHFFFAOYSA-N 0 0 212.212 1.054 10 5 BDBERN CN(CC1CC(O)C1)c1ccc([N+](=O)[O-])cn1 ZINC000091489662 384130369 /nfs/dbraw/zinc/13/03/69/384130369.db2.gz SIJWDBDAVNZKQT-UHFFFAOYSA-N 0 0 237.259 1.197 10 5 BDBERN C[C@H](O)CCN(C)c1cc(F)ccc1[N+](=O)[O-] ZINC000135626524 384206066 /nfs/dbraw/zinc/20/60/66/384206066.db2.gz NPUFKHVVVPKSCI-QMMMGPOBSA-N 0 0 242.250 1.941 10 5 BDBERN CC[S@@](C)(=O)=Nc1ccc([N+](=O)[O-])cn1 ZINC000536951477 384804842 /nfs/dbraw/zinc/80/48/42/384804842.db2.gz REULTTCNWHRGIH-OAHLLOKOSA-N 0 0 229.261 1.739 10 5 BDBERN CC[C@H](CO)Nc1cc(F)ccc1[N+](=O)[O-] ZINC000052119476 385698536 /nfs/dbraw/zinc/69/85/36/385698536.db2.gz AQUFUAVTQFPVAG-MRVPVSSYSA-N 0 0 228.223 1.917 10 5 BDBERN CC[C@@H](CO)Nc1cc(F)ccc1[N+](=O)[O-] ZINC000052119474 385698556 /nfs/dbraw/zinc/69/85/56/385698556.db2.gz AQUFUAVTQFPVAG-QMMMGPOBSA-N 0 0 228.223 1.917 10 5 BDBERN CCC[C@H]1C[C@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000230874199 385763098 /nfs/dbraw/zinc/76/30/98/385763098.db2.gz WKOQOQBVCWSGHY-IONNQARKSA-N 0 0 222.248 1.985 10 5 BDBERN Cn1cnc([N+](=O)[O-])c1N1CC[C@H]2CCC[C@@H]21 ZINC000408362516 386292550 /nfs/dbraw/zinc/29/25/50/386292550.db2.gz OYHWOUKZDUXIKL-BDAKNGLRSA-N 0 0 236.275 1.707 10 5 BDBERN O=c1[nH]c(Cl)nc2c1cccc2[N+](=O)[O-] ZINC000299889134 386498645 /nfs/dbraw/zinc/49/86/45/386498645.db2.gz DWLTXFFVPQQXCE-UHFFFAOYSA-N 0 0 225.591 1.897 10 5 BDBERN C[C@@H]1O[C@]2(CS1)C[N+]1([O-])CCC2CC1 ZINC000575338540 386686612 /nfs/dbraw/zinc/68/66/12/386686612.db2.gz IPNRDUUDNGJPCH-VKAADOFISA-N 0 0 216.326 1.464 10 5 BDBERN C[C@H]1CC[C@H](O)CN1c1ncccc1[N+](=O)[O-] ZINC000399320058 386803131 /nfs/dbraw/zinc/80/31/31/386803131.db2.gz HZWPYPBXIBVJIN-IUCAKERBSA-N 0 0 237.259 1.339 10 5 BDBERN O=[N+]([O-])c1cc(F)cc(OC(F)F)c1CO ZINC000575660839 387054427 /nfs/dbraw/zinc/05/44/27/387054427.db2.gz AHGTXKZTJQQIDK-UHFFFAOYSA-N 0 0 237.133 1.828 10 5 BDBERN [NH3+][C@@H](CCF)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000575440120 387127207 /nfs/dbraw/zinc/12/72/07/387127207.db2.gz JDLGQSMPXRBBTB-ZETCQYMHSA-N 0 0 214.196 1.660 10 5 BDBERN O=[N+]([O-])c1cc(O)c(OC(F)F)c(CO)c1 ZINC000575662574 387194896 /nfs/dbraw/zinc/19/48/96/387194896.db2.gz BIMHKUFCBPDFPR-UHFFFAOYSA-N 0 0 235.142 1.394 10 5 BDBERN Cc1cc(C(N)=O)c(OC(F)F)cc1[N+](=O)[O-] ZINC000575665243 387313275 /nfs/dbraw/zinc/31/32/75/387313275.db2.gz CHYVRODPIXNGNL-UHFFFAOYSA-N 0 0 246.169 1.604 10 5 BDBERN O=Cc1cc(O)cc([N+](=O)[O-])c1OC(F)F ZINC000575663026 387270359 /nfs/dbraw/zinc/27/03/59/387270359.db2.gz PKXGSQVIHPCIQW-UHFFFAOYSA-N 0 0 233.126 1.714 10 5 BDBERN COc1c([N+](=O)[O-])ccc(CO)c1OC(F)F ZINC000575664196 387290317 /nfs/dbraw/zinc/29/03/17/387290317.db2.gz DEEFLJXDIBZALH-UHFFFAOYSA-N 0 0 249.169 1.697 10 5 BDBERN COC(=O)Cc1cc(OC)cc(C)c1[N+](=O)[O-] ZINC000575678628 387360872 /nfs/dbraw/zinc/36/08/72/387360872.db2.gz ISOMULNFQQRLJR-UHFFFAOYSA-N 0 0 239.227 1.627 10 5 BDBERN COC(=O)Cc1c(C)cc(OC)cc1[N+](=O)[O-] ZINC000575677805 387361191 /nfs/dbraw/zinc/36/11/91/387361191.db2.gz FBVBXWDJUUAEJU-UHFFFAOYSA-N 0 0 239.227 1.627 10 5 BDBERN O=Cc1cc([N+](=O)[O-])cc(C(F)F)c1CO ZINC000575668907 387323827 /nfs/dbraw/zinc/32/38/27/387323827.db2.gz PTZXFHZXTDPRDT-UHFFFAOYSA-N 0 0 231.154 1.837 10 5 BDBERN Cc1c(CO)ccc([N+](=O)[O-])c1OC(F)F ZINC000575669054 387325776 /nfs/dbraw/zinc/32/57/76/387325776.db2.gz XTMNIDVZGVQIFC-UHFFFAOYSA-N 0 0 233.170 1.997 10 5 BDBERN CC(=O)c1cc(N)cc(OC(F)F)c1[N+](=O)[O-] ZINC000575716698 387433257 /nfs/dbraw/zinc/43/32/57/387433257.db2.gz HXKIXKUHKSKZDS-UHFFFAOYSA-N 0 0 246.169 1.981 10 5 BDBERN CCOC(=O)c1ccc(OC)c(N)c1[N+](=O)[O-] ZINC000575724334 387436517 /nfs/dbraw/zinc/43/65/17/387436517.db2.gz BIFKYLLKGHCOBJ-UHFFFAOYSA-N 0 0 240.215 1.362 10 5 BDBERN CCOC(=O)Cc1cc([N+](=O)[O-])c(F)cc1N ZINC000575724475 387438500 /nfs/dbraw/zinc/43/85/00/387438500.db2.gz JOIBAKQYFVHZEZ-UHFFFAOYSA-N 0 0 242.206 1.422 10 5 BDBERN Nc1cc(OC(F)F)cc([N+](=O)[O-])c1O ZINC000575723664 387448207 /nfs/dbraw/zinc/44/82/07/387448207.db2.gz SHRVQJMDBYTEMT-UHFFFAOYSA-N 0 0 220.131 1.484 10 5 BDBERN COC(=O)c1cc(N)c([N+](=O)[O-])c(Cl)c1 ZINC000575725571 387458596 /nfs/dbraw/zinc/45/85/96/387458596.db2.gz IFHOPLBCCDWGSM-UHFFFAOYSA-N 0 0 230.607 1.617 10 5 BDBERN CCOc1cc(CC)c(C(N)=O)c([N+](=O)[O-])c1 ZINC000575697451 387391444 /nfs/dbraw/zinc/39/14/44/387391444.db2.gz WKTUMGYERFCYHO-UHFFFAOYSA-N 0 0 238.243 1.655 10 5 BDBERN CCOc1cc([N+](=O)[O-])cc(OC)c1C=O ZINC000575698115 387392927 /nfs/dbraw/zinc/39/29/27/387392927.db2.gz CCKXQAAUQMPFIG-UHFFFAOYSA-N 0 0 225.200 1.815 10 5 BDBERN CCOc1cc(C(N)=O)c(OC)c([N+](=O)[O-])c1 ZINC000575698264 387393117 /nfs/dbraw/zinc/39/31/17/387393117.db2.gz IETQPKLBUZWBHL-UHFFFAOYSA-N 0 0 240.215 1.101 10 5 BDBERN CCOc1cc(OC)c(CO)cc1[N+](=O)[O-] ZINC000575698381 387394421 /nfs/dbraw/zinc/39/44/21/387394421.db2.gz NHITYTFZOUXVOO-UHFFFAOYSA-N 0 0 227.216 1.494 10 5 BDBERN CC(=O)c1c(N)cc(OC(F)F)cc1[N+](=O)[O-] ZINC000575717932 387422698 /nfs/dbraw/zinc/42/26/98/387422698.db2.gz WCUWEFMYJXLFHX-UHFFFAOYSA-N 0 0 246.169 1.981 10 5 BDBERN COC(=O)c1cc([N+](=O)[O-])cc(F)c1F ZINC000054207618 387520992 /nfs/dbraw/zinc/52/09/92/387520992.db2.gz CHSQRPBCMNNOMR-UHFFFAOYSA-N 0 0 217.127 1.660 10 5 BDBERN CCOC(=O)c1c(C)ccc([N+](=O)[O-])c1N ZINC000575726352 387463988 /nfs/dbraw/zinc/46/39/88/387463988.db2.gz OLNPAHYVEPDNEY-UHFFFAOYSA-N 0 0 224.216 1.662 10 5 BDBERN COC(=O)c1c(N)ccc([N+](=O)[O-])c1Cl ZINC000575727067 387465161 /nfs/dbraw/zinc/46/51/61/387465161.db2.gz SKGMVLDDALNAAZ-UHFFFAOYSA-N 0 0 230.607 1.617 10 5 BDBERN Cn1nc(C=O)c2cc([N+](=O)[O-])ccc21 ZINC000238539287 387872508 /nfs/dbraw/zinc/87/25/08/387872508.db2.gz KMSDSDJYNLGQOT-UHFFFAOYSA-N 0 0 205.173 1.294 10 5 BDBERN O=CNc1ccnc(Cl)c1[N+](=O)[O-] ZINC000306313247 387976031 /nfs/dbraw/zinc/97/60/31/387976031.db2.gz MGQAPMKIAMLZRR-UHFFFAOYSA-N 0 0 201.569 1.212 10 5 BDBERN COC(=O)c1nccc2c1cccc2[N+](=O)[O-] ZINC000096854797 388826542 /nfs/dbraw/zinc/82/65/42/388826542.db2.gz DBWHYNOCECHDDC-UHFFFAOYSA-N 0 0 232.195 1.930 10 5 BDBERN O=[N+]([O-])c1cnccc1NC[C@@H](O)C(F)F ZINC000226573026 134366757 /nfs/dbraw/zinc/36/67/57/134366757.db2.gz DJVKTRRSLVHLGD-SSDOTTSWSA-N 0 0 233.174 1.028 10 5 BDBERN CCOC(=O)c1cc([N+](=O)[O-])c(C)cc1N ZINC000575724697 398069574 /nfs/dbraw/zinc/06/95/74/398069574.db2.gz AGBAGLPPEJFUTI-UHFFFAOYSA-N 0 0 224.216 1.662 10 5 BDBERN C[C@@H](O)CCNc1ccc([N+](=O)[O-])c(N)c1F ZINC000274708269 398109198 /nfs/dbraw/zinc/10/91/98/398109198.db2.gz XCYDXIRUJSLUTB-ZCFIWIBFSA-N 0 0 243.238 1.499 10 5 BDBERN C[C@@H]1C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000075530579 398102009 /nfs/dbraw/zinc/10/20/09/398102009.db2.gz SRQSSSAAJVWHCE-RITPCOANSA-N 0 0 226.257 1.795 10 5 BDBERN CC[NH2+][C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000085474978 170146777 /nfs/dbraw/zinc/14/67/77/170146777.db2.gz YSMQJBKCCSNKCV-JTQLQIEISA-N 0 0 238.243 1.200 10 5 BDBERN CCOC(=N)[C@H](O)c1ccccc1[N+](=O)[O-] ZINC000039135045 170180232 /nfs/dbraw/zinc/18/02/32/170180232.db2.gz UAXJPXNLKDPSLD-SECBINFHSA-N 0 0 224.216 1.642 10 5 BDBERN CCc1c(N)nc(N)nc1-c1ccc([N+](=O)[O-])o1 ZINC000003649753 171744555 /nfs/dbraw/zinc/74/45/55/171744555.db2.gz OKIBSPYVEWBOGG-UHFFFAOYSA-N 0 0 249.230 1.372 10 5 BDBERN CNC(=O)CCNc1ccc(C)c([N+](=O)[O-])c1 ZINC000061701052 173262333 /nfs/dbraw/zinc/26/23/33/173262333.db2.gz KVCQEMZPLBQQQU-UHFFFAOYSA-N 0 0 237.259 1.451 10 5 BDBERN CNC(=O)CNc1ccc(C)c([N+](=O)[O-])c1 ZINC000058486620 173278676 /nfs/dbraw/zinc/27/86/76/173278676.db2.gz RHORZOMEHXOTFA-UHFFFAOYSA-N 0 0 223.232 1.061 10 5 BDBERN CNc1ccc(OC2CC2)c([N+](=O)[O-])n1 ZINC000095729474 173480160 /nfs/dbraw/zinc/48/01/60/173480160.db2.gz BEXPBBROVROQDA-UHFFFAOYSA-N 0 0 209.205 1.573 10 5 BDBERN COCCN(C)c1cc(F)ccc1[N+](=O)[O-] ZINC000302788886 174284136 /nfs/dbraw/zinc/28/41/36/174284136.db2.gz DHQJZGFPYWMIKW-UHFFFAOYSA-N 0 0 228.223 1.817 10 5 BDBERN COc1cc(C)c([N+](=O)[O-])c(C=O)c1OC ZINC000113466842 174964143 /nfs/dbraw/zinc/96/41/43/174964143.db2.gz WFGILXQOZKGQIF-UHFFFAOYSA-N 0 0 225.200 1.733 10 5 BDBERN COc1cc(OC2CC2)cc([N+](=O)[O-])n1 ZINC000095730973 175012578 /nfs/dbraw/zinc/01/25/78/175012578.db2.gz VMEXHUMOKUBALT-UHFFFAOYSA-N 0 0 210.189 1.540 10 5 BDBERN COc1cc(SCCO)ccc1[N+](=O)[O-] ZINC000082523565 175012924 /nfs/dbraw/zinc/01/29/24/175012924.db2.gz QMVSOLMFRKOZFR-UHFFFAOYSA-N 0 0 229.257 1.688 10 5 BDBERN COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC ZINC000015121267 175018137 /nfs/dbraw/zinc/01/81/37/175018137.db2.gz IDHBDXPZHRTBFC-UHFFFAOYSA-N 0 0 228.160 1.520 10 5 BDBERN COc1cc2c(C=O)[nH]nc2cc1[N+](=O)[O-] ZINC000095930629 175018638 /nfs/dbraw/zinc/01/86/38/175018638.db2.gz ISUPLQCCSPGWLZ-UHFFFAOYSA-N 0 0 221.172 1.292 10 5 BDBERN COc1ccc(NCCCO)cc1[N+](=O)[O-] ZINC000034300998 175150381 /nfs/dbraw/zinc/15/03/81/175150381.db2.gz XTHZXDQMYZKRAP-UHFFFAOYSA-N 0 0 226.232 1.398 10 5 in-vitro BDBERN COc1ccc(OCCC(C)=O)c([N+](=O)[O-])c1 ZINC000037977471 175171637 /nfs/dbraw/zinc/17/16/37/175171637.db2.gz VSASDKLPEIEXEW-UHFFFAOYSA-N 0 0 239.227 1.961 10 5 BDBERN COc1cncc(OC2CC2)c1[N+](=O)[O-] ZINC000095731145 175386826 /nfs/dbraw/zinc/38/68/26/175386826.db2.gz DUHNTZOUCDHJQV-UHFFFAOYSA-N 0 0 210.189 1.540 10 5 BDBERN COc1cnnc2ccc([N+](=O)[O-])cc21 ZINC000299890379 175387666 /nfs/dbraw/zinc/38/76/66/175387666.db2.gz YPOUQJDHMMFELF-UHFFFAOYSA-N 0 0 205.173 1.547 10 5 BDBERN COc1cnnc2cccc([N+](=O)[O-])c21 ZINC000098180460 175387708 /nfs/dbraw/zinc/38/77/08/175387708.db2.gz NYIFZPZNBKUIOT-UHFFFAOYSA-N 0 0 205.173 1.547 10 5 BDBERN COc1nc2ncc([N+](=O)[O-])cc2s1 ZINC000089229458 175397379 /nfs/dbraw/zinc/39/73/79/175397379.db2.gz XCMCKGQMLQJLAM-UHFFFAOYSA-N 0 0 211.202 1.608 10 5 BDBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(N)c1)C1CC1 ZINC000054414715 176818663 /nfs/dbraw/zinc/81/86/63/176818663.db2.gz KPHGOVLMTIQHBS-ZETCQYMHSA-N 0 0 249.270 1.705 10 5 BDBERN C[C@H](O)[C@H](C)Oc1c(F)cccc1[N+](=O)[O-] ZINC000163033486 177012479 /nfs/dbraw/zinc/01/24/79/177012479.db2.gz MACPOIDDMUSFOS-BQBZGAKWSA-N 0 0 229.207 1.882 10 5 BDBERN C[C@@H](O)[C@H](C)Oc1cccc([N+](=O)[O-])c1 ZINC000087138910 177023662 /nfs/dbraw/zinc/02/36/62/177023662.db2.gz FPEWRURATVMBND-SFYZADRCSA-N 0 0 211.217 1.743 10 5 BDBERN C[C@H]1C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000075530583 177349341 /nfs/dbraw/zinc/34/93/41/177349341.db2.gz SRQSSSAAJVWHCE-WDSKDSINSA-N 0 0 226.257 1.795 10 5 BDBERN C[C@H]1C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000054416652 177385040 /nfs/dbraw/zinc/38/50/40/177385040.db2.gz CHIQFEDXKIMGOI-IMTBSYHQSA-N 0 0 238.218 1.872 10 5 BDBERN O=C1C[C@]2(CCOC2)Oc2ccc([N+](=O)[O-])cc21 ZINC000536956369 323967060 /nfs/dbraw/zinc/96/70/60/323967060.db2.gz YQEOEQYKDZNPRG-LBPRGKRZSA-N 0 0 249.222 1.719 10 5 BDBERN Cc1cnc(CNCc2ccc([N+](=O)[O-])o2)cn1 ZINC000061320537 518191619 /nfs/dbraw/zinc/19/16/19/518191619.db2.gz VBCICNDWCGONOO-UHFFFAOYSA-N 0 0 248.242 1.576 10 5 BDBERN CC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000104417043 592613293 /nfs/dbraw/zinc/61/32/93/592613293.db2.gz XFBWRVUCJPTLCB-SNVBAGLBSA-N 0 0 249.270 1.795 10 5 BDBERN C[C@@H]1C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000052288519 632119615 /nfs/dbraw/zinc/11/96/15/632119615.db2.gz HSNMYGAJXSUIGI-LDWIPMOCSA-N 0 0 238.218 1.872 10 5 BDBERN C[C@@H](O)[C@@H](C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000309896811 633912420 /nfs/dbraw/zinc/91/24/20/633912420.db2.gz GCKMWFBAMZGJPQ-PHDIDXHHSA-N 0 0 245.666 1.824 10 5 BDBERN COc1cc([N+](=O)[O-])cc(OC)c1F ZINC000307430408 398164747 /nfs/dbraw/zinc/16/47/47/398164747.db2.gz JXDNVXMGGSMVKM-UHFFFAOYSA-N 0 0 201.153 1.751 10 5 BDBERN Cn1ncnc1CNc1ccc([N+](=O)[O-])cc1 ZINC000301447150 398277716 /nfs/dbraw/zinc/27/77/16/398277716.db2.gz OJPLYKSHRRGGTK-UHFFFAOYSA-N 0 0 233.231 1.335 10 5 BDBERN O=[N+]([O-])c1ccc2oc(N3CC[C@@H](O)C3)nc2c1 ZINC000095077689 398280049 /nfs/dbraw/zinc/28/00/49/398280049.db2.gz NAYLNNUXESRIIZ-MRVPVSSYSA-N 0 0 249.226 1.307 10 5 BDBERN O=[N+]([O-])c1ccc(-c2nc(CO)c[nH]2)cc1 ZINC000058824282 398327403 /nfs/dbraw/zinc/32/74/03/398327403.db2.gz OOJMZHZOPADIDK-UHFFFAOYSA-N 0 0 219.200 1.477 10 5 BDBERN NNc1c(Br)cncc1[N+](=O)[O-] ZINC000145062727 343088393 /nfs/dbraw/zinc/08/83/93/343088393.db2.gz AZJSJNDNGHNCTK-UHFFFAOYSA-N 0 0 233.025 1.038 10 5 BDBERN CCOC(=O)[C@]1([N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC000114061673 343120293 /nfs/dbraw/zinc/12/02/93/343120293.db2.gz MZFTYSDMOSREIT-PWSUYJOCSA-N 0 0 235.239 1.753 10 5 BDBERN Nc1ccc2nc3cc(N)c(N)cc3nc2c1 ZINC000039117948 343385471 /nfs/dbraw/zinc/38/54/71/343385471.db2.gz NPSHKYRLDHUWLW-UHFFFAOYSA-N 0 0 225.255 1.530 10 5 BDBERN COc1cc([N+](=O)[O-])c(C)cc1C(N)=O ZINC000166936711 343582354 /nfs/dbraw/zinc/58/23/54/343582354.db2.gz UCMIKRCPTSHLRV-UHFFFAOYSA-N 0 0 210.189 1.011 10 5 BDBERN O=Cc1cc([N+](=O)[O-])ncc1OC(F)(F)F ZINC000309525127 343686684 /nfs/dbraw/zinc/68/66/84/343686684.db2.gz ZKXHTUPZJVEQMP-UHFFFAOYSA-N 0 0 236.105 1.701 10 5 BDBERN COc1nccc(OC(F)(F)F)c1[N+](=O)[O-] ZINC000309192188 346979733 /nfs/dbraw/zinc/97/97/33/346979733.db2.gz PCPQIIMTHZWZBK-UHFFFAOYSA-N 0 0 238.121 1.897 10 5 BDBERN O=[N+]([O-])c1ccc(-n2cnc(Cl)c2)nc1 ZINC000145491482 344281680 /nfs/dbraw/zinc/28/16/80/344281680.db2.gz KAQPZSKVCKRHQL-UHFFFAOYSA-N 0 0 224.607 1.829 10 5 BDBERN Nc1cc(-c2ccc([N+](=O)[O-])cc2)on1 ZINC000085278437 344516456 /nfs/dbraw/zinc/51/64/56/344516456.db2.gz SJORLJIJFQWNIX-UHFFFAOYSA-N 0 0 205.173 1.832 10 5 BDBERN CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000050037196 344614751 /nfs/dbraw/zinc/61/47/51/344614751.db2.gz FVGYSTMRKRNXSB-UHFFFAOYSA-N 0 0 216.143 1.233 10 5 BDBERN O=[N+]([O-])c1ccc(N2CC3(CCO3)C2)cc1 ZINC000220969218 344650761 /nfs/dbraw/zinc/65/07/61/344650761.db2.gz LUWRGLYVIACAQO-UHFFFAOYSA-N 0 0 220.228 1.574 10 5 BDBERN Cc1ccc(N[C@@H]2CCC(=O)NC2)cc1[N+](=O)[O-] ZINC000104246122 178773037 /nfs/dbraw/zinc/77/30/37/178773037.db2.gz FJDXWVXDFAQOML-SNVBAGLBSA-N 0 0 249.270 1.594 10 5 BDBERN O=c1c(OC(F)(F)F)c[nH]cc1[N+](=O)[O-] ZINC000238726461 344996324 /nfs/dbraw/zinc/99/63/24/344996324.db2.gz DIDYWFUTHKVJCK-UHFFFAOYSA-N 0 0 224.094 1.594 10 5 BDBERN O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1C[C@H]1CO ZINC000378680423 345454866 /nfs/dbraw/zinc/45/48/66/345454866.db2.gz VKNRRMCZTUYDFF-CAHLUQPWSA-N 0 0 243.650 1.436 10 5 BDBERN CCCCOC(=O)CCC(C)([N+](=O)[O-])[N+](=O)[O-] ZINC000142763828 345864083 /nfs/dbraw/zinc/86/40/83/345864083.db2.gz KFSKBTNFJHPMRQ-UHFFFAOYSA-N 0 0 248.235 1.380 10 5 BDBERN N#CC1=C(N)Oc2ccccc2[C@H]1C[N+](=O)[O-] ZINC000143951749 345914231 /nfs/dbraw/zinc/91/42/31/345914231.db2.gz GVHATMLORGLBJM-SECBINFHSA-N 0 0 231.211 1.133 10 5 BDBERN Cc1cc(-n2cncn2)ccc1[N+](=O)[O-] ZINC000034300631 346245041 /nfs/dbraw/zinc/24/50/41/346245041.db2.gz OWROQSJHLIWNMW-UHFFFAOYSA-N 0 0 204.189 1.484 10 5 BDBERN Cc1cccc(OC[C@@H]2CO2)c1[N+](=O)[O-] ZINC000006071758 179171395 /nfs/dbraw/zinc/17/13/95/179171395.db2.gz IYBXFWFKGBPYKO-QMMMGPOBSA-N 0 0 209.201 1.681 10 5 BDBERN CC(O)=CC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000196049227 347774269 /nfs/dbraw/zinc/77/42/69/347774269.db2.gz VPNIVXKSKDWEGD-UHFFFAOYSA-N 0 0 221.212 1.686 10 5 BDBERN O=c1oc2ccc(O)cc2cc1[N+](=O)[O-] ZINC000013737790 187391678 /nfs/dbraw/zinc/39/16/78/187391678.db2.gz GYCMERREXDAHAG-UHFFFAOYSA-N 0 0 207.141 1.407 10 5 BDBERN Cc1nc(-n2cc([N+](=O)[O-])cn2)cs1 ZINC000725253798 538038845 /nfs/dbraw/zinc/03/88/45/538038845.db2.gz YKOFERZHEKGTFK-UHFFFAOYSA-N 0 0 210.218 1.545 10 5 BDBERN CC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N1 ZINC000072187411 191004910 /nfs/dbraw/zinc/00/49/10/191004910.db2.gz KUIRCUSOIOVBRV-SNVBAGLBSA-N 0 0 206.201 1.520 10 5 BDBERN Cc1nc2[nH]cc(C=O)c2cc1[N+](=O)[O-] ZINC000016678054 180060528 /nfs/dbraw/zinc/06/05/28/180060528.db2.gz FUIUAEPXHQCUTG-UHFFFAOYSA-N 0 0 205.173 1.592 10 5 BDBERN Cc1nc2cc([N+](=O)[O-])ccc2c(=O)o1 ZINC000033807740 180087908 /nfs/dbraw/zinc/08/79/08/180087908.db2.gz BJWQRWNSQNZFLS-UHFFFAOYSA-N 0 0 206.157 1.405 10 5 BDBERN Cc1nn(C)c(N[C@H](C)C2CC2)c1[N+](=O)[O-] ZINC000036749383 180360221 /nfs/dbraw/zinc/36/02/21/180360221.db2.gz VBFMQEULZYEKEE-ZCFIWIBFSA-N 0 0 224.264 1.847 10 5 BDBERN Cc1nn(C2CCOCC2)c(N)c1[N+](=O)[O-] ZINC000049853240 180385107 /nfs/dbraw/zinc/38/51/07/180385107.db2.gz ZIAUQQPSKGSADD-UHFFFAOYSA-N 0 0 226.236 1.033 10 5 BDBERN Cc1nn([C@H]2CCCSC2)c(N)c1[N+](=O)[O-] ZINC000061589793 180393371 /nfs/dbraw/zinc/39/33/71/180393371.db2.gz JLFXNMVBGLGWPL-ZETCQYMHSA-N 0 0 242.304 1.750 10 5 BDBERN CCOC(=O)[C@@H](C)c1ccc([N+](=O)[O-])nc1C ZINC000222917704 351234037 /nfs/dbraw/zinc/23/40/37/351234037.db2.gz JYJGAFFENPIKPF-ZETCQYMHSA-N 0 0 238.243 1.965 10 5 BDBERN CCOC(=O)Cc1cccc(N)c1[N+](=O)[O-] ZINC000228808276 351389195 /nfs/dbraw/zinc/38/91/95/351389195.db2.gz RBEQCJFIWMTPOY-UHFFFAOYSA-N 0 0 224.216 1.283 10 5 BDBERN O=[N+]([O-])c1ccsc1N[C@H]1C[C@H]1CO ZINC000307137127 351494465 /nfs/dbraw/zinc/49/44/65/351494465.db2.gz WJHXTEWKHLFHQJ-WDSKDSINSA-N 0 0 214.246 1.449 10 5 BDBERN COc1ccc(F)c([N+](=O)[O-])c1OC ZINC000307092722 351472581 /nfs/dbraw/zinc/47/25/81/351472581.db2.gz BNSYTBPXQBSFKF-UHFFFAOYSA-N 0 0 201.153 1.751 10 5 BDBERN Nc1cnc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000307113715 351485547 /nfs/dbraw/zinc/48/55/47/351485547.db2.gz RRHLCXSVKGIKGF-UHFFFAOYSA-N 0 0 207.111 1.591 10 5 BDBERN Cn1cc(CO)c2cccc([N+](=O)[O-])c21 ZINC000299888921 180652284 /nfs/dbraw/zinc/65/22/84/180652284.db2.gz ANRLWBJJJANJRC-UHFFFAOYSA-N 0 0 206.201 1.579 10 5 BDBERN Cn1cnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000005116747 180761057 /nfs/dbraw/zinc/76/10/57/180761057.db2.gz XRSIQFNWEQMSHI-UHFFFAOYSA-N 0 0 203.201 1.995 10 5 BDBERN NN=c1[nH]c2cccc([N+](=O)[O-])c2s1 ZINC000045237196 352590643 /nfs/dbraw/zinc/59/06/43/352590643.db2.gz ZBSDVUHAWSBWMC-UHFFFAOYSA-N 0 0 210.218 1.490 10 5 BDBERN Cc1nn(Cc2cccs2)c(N)c1[N+](=O)[O-] ZINC000043670331 188123187 /nfs/dbraw/zinc/12/31/87/188123187.db2.gz PURHAVVZKBAMIJ-UHFFFAOYSA-N 0 0 238.272 1.792 10 5 BDBERN CC(=O)CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000019411056 188107950 /nfs/dbraw/zinc/10/79/50/188107950.db2.gz GMXCMTWTAZLVID-UHFFFAOYSA-N 0 0 236.227 1.821 10 5 BDBERN Cn1nc(-c2ccc([N+](=O)[O-])o2)[nH]c1=S ZINC000039206112 188110518 /nfs/dbraw/zinc/11/05/18/188110518.db2.gz BWERGAABCYFLCO-UHFFFAOYSA-N 0 0 226.217 1.646 10 5 BDBERN C[C@H]1C[C@H]1Nc1ncnc(Cl)c1[N+](=O)[O-] ZINC000052297946 188126350 /nfs/dbraw/zinc/12/63/50/188126350.db2.gz YOTLKAQRQJIMSW-CRCLSJGQSA-N 0 0 228.639 1.859 10 5 BDBERN O=Cc1ccc([N+](=O)[O-])c(O[C@@H]2CCOC2)c1 ZINC000070072153 188130539 /nfs/dbraw/zinc/13/05/39/188130539.db2.gz YUPLAATUAHLQIS-SECBINFHSA-N 0 0 237.211 1.575 10 5 BDBERN CC(C)(C)OC(=O)N1CCC[C@@H](C[N+](=O)[O-])C1 ZINC000096985647 188148747 /nfs/dbraw/zinc/14/87/47/188148747.db2.gz JTNPNGSWOZADPI-SECBINFHSA-N 0 0 244.291 1.910 10 5 BDBERN O=C1C[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)CN1 ZINC000216258138 538113101 /nfs/dbraw/zinc/11/31/01/538113101.db2.gz WPQYCFYWTLRFET-SSDOTTSWSA-N 0 0 240.646 1.852 10 5 BDBERN O=[N+]([O-])[C@H](Cc1ccccc1)[C@@H](O)CF ZINC000035572167 358003942 /nfs/dbraw/zinc/00/39/42/358003942.db2.gz WPLCHTDCGSUFBC-ZJUUUORDSA-N 0 0 213.208 1.205 10 5 BDBERN O=[N+]([O-])c1ccc(-n2cncn2)cc1[N+](=O)[O-] ZINC000584613437 358277498 /nfs/dbraw/zinc/27/74/98/358277498.db2.gz GDGGLQMATIJZRF-UHFFFAOYSA-N 0 0 235.159 1.084 10 5 BDBERN Cc1c([N+](=O)[O-])cccc1-n1cncn1 ZINC000584613531 358277878 /nfs/dbraw/zinc/27/78/78/358277878.db2.gz PMLXMOBDKWEUNY-UHFFFAOYSA-N 0 0 204.189 1.484 10 5 BDBERN CC(=O)c1cc2c(cccc2[N+](=O)[O-])oc1=O ZINC000584630950 358250945 /nfs/dbraw/zinc/25/09/45/358250945.db2.gz RRNUHIVJURPFPQ-UHFFFAOYSA-N 0 0 233.179 1.904 10 5 BDBERN O=c1c2cccc(F)c2nc2ccccn21 ZINC000584635866 358319914 /nfs/dbraw/zinc/31/99/14/358319914.db2.gz HNCDFJGLXRQYGP-UHFFFAOYSA-N 0 0 214.199 1.987 10 5 BDBERN COc1c(F)ccc([N+](=O)[O-])c1OC ZINC000165385225 358430610 /nfs/dbraw/zinc/43/06/10/358430610.db2.gz KJBFSPQGJZSMSZ-UHFFFAOYSA-N 0 0 201.153 1.751 10 5 BDBERN Nc1cncc([N+](=O)[O-])c1Br ZINC000306358084 359684269 /nfs/dbraw/zinc/68/42/69/359684269.db2.gz YRLPNAGJRAXCTE-UHFFFAOYSA-N 0 0 218.010 1.335 10 5 BDBERN Nc1c(OC(F)F)cccc1[N+](=O)[O-] ZINC000169249442 359909529 /nfs/dbraw/zinc/90/95/29/359909529.db2.gz LIVBETVQYHVMIX-UHFFFAOYSA-N 0 0 204.132 1.778 10 5 BDBERN Nc1cc([N+](=O)[O-])cnc1Br ZINC000226270238 359884714 /nfs/dbraw/zinc/88/47/14/359884714.db2.gz PIYAOIBPIQHBGH-UHFFFAOYSA-N 0 0 218.010 1.335 10 5 BDBERN O=[N+]([O-])c1nn(C[C@H]2CCOC2)cc1Cl ZINC000069760101 360406237 /nfs/dbraw/zinc/40/62/37/360406237.db2.gz CLQZGYUYURGSDS-ZCFIWIBFSA-N 0 0 231.639 1.481 10 5 BDBERN [NH3+][C@@H](CF)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000238574439 361157024 /nfs/dbraw/zinc/15/70/24/361157024.db2.gz LDCVIIOBFGNWSG-LURJTMIESA-N 0 0 200.169 1.270 10 5 BDBERN Cn1ncc(N)c1-c1ccc([N+](=O)[O-])c(F)c1 ZINC000725263690 541336614 /nfs/dbraw/zinc/33/66/14/541336614.db2.gz AEGWSMCXBVMZAT-UHFFFAOYSA-N 0 0 236.206 1.717 10 5 BDBERN NCC(F)(F)CNc1cccc(F)c1[N+](=O)[O-] ZINC000162658550 181356946 /nfs/dbraw/zinc/35/69/46/181356946.db2.gz ZNZGKDPBDVKCPO-UHFFFAOYSA-N 0 0 249.192 1.740 10 5 BDBERN CC(=O)OC/C(=C\c1ccco1)[N+](=O)[O-] ZINC000039651839 368330186 /nfs/dbraw/zinc/33/01/86/368330186.db2.gz ZNHSMALFYZTZCW-VMPITWQZSA-N 0 0 211.173 1.460 10 5 BDBERN COC(=O)c1c(C(C)=O)cccc1[N+](=O)[O-] ZINC000116664851 368343706 /nfs/dbraw/zinc/34/37/06/368343706.db2.gz NLBKVERSPJQWRH-UHFFFAOYSA-N 0 0 223.184 1.584 10 5 BDBERN CCOC(=O)c1c(C)c([N+](=O)[O-])cn1C ZINC000136881838 368389822 /nfs/dbraw/zinc/38/98/22/368389822.db2.gz FVHJFXXXEUXMJG-UHFFFAOYSA-N 0 0 212.205 1.418 10 5 BDBERN COc1cc2ncnc(N)c2cc1[N+](=O)[O-] ZINC000113224696 370392969 /nfs/dbraw/zinc/39/29/69/370392969.db2.gz XZVLXRIKSVUPAL-UHFFFAOYSA-N 0 0 220.188 1.129 10 5 BDBERN COC(=O)Cc1c(F)ccc([N+](=O)[O-])c1OC ZINC000140442638 372676766 /nfs/dbraw/zinc/67/67/66/372676766.db2.gz ZDZJJPKMZQCGTA-UHFFFAOYSA-N 0 0 243.190 1.458 10 5 BDBERN CCOc1ccc2nccnc2c1[N+](=O)[O-] ZINC000039100514 372866219 /nfs/dbraw/zinc/86/62/19/372866219.db2.gz TWNFYMBEGXCVPG-UHFFFAOYSA-N 0 0 219.200 1.937 10 5 BDBERN O=[N+]([O-])c1ccccc1[C@@H](O)C(F)F ZINC000039055291 372857432 /nfs/dbraw/zinc/85/74/32/372857432.db2.gz DNGHTKXRXKQDHV-SSDOTTSWSA-N 0 0 203.144 1.893 10 5 BDBERN O=C(Cn1ccnc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000012948542 182071089 /nfs/dbraw/zinc/07/10/89/182071089.db2.gz UCZWYNWDMGRFFD-UHFFFAOYSA-N 0 0 249.201 1.813 10 5 BDBERN O=[N+]([O-])c1nn([C@@H]2CCOC2)cc1Cl ZINC000070217893 374131301 /nfs/dbraw/zinc/13/13/01/374131301.db2.gz AVHXXMOBLSXRJD-RXMQYKEDSA-N 0 0 217.612 1.406 10 5 BDBERN CCCCOc1ncnc(N)c1[N+](=O)[O-] ZINC000082486849 168921681 /nfs/dbraw/zinc/92/16/81/168921681.db2.gz KAEZQERILXMBHB-UHFFFAOYSA-N 0 0 212.209 1.146 10 5 BDBERN O=[N+]([O-])c1ccc(F)cc1NC[C@@H](O)C1CC1 ZINC000071306251 182933899 /nfs/dbraw/zinc/93/38/99/182933899.db2.gz XSUAMPQYRPFBSU-LLVKDONJSA-N 0 0 240.234 1.917 10 5 BDBERN CCCN(C)C(=O)c1cc(N)ccc1[N+](=O)[O-] ZINC000050701472 169060868 /nfs/dbraw/zinc/06/08/68/169060868.db2.gz DPYJHIODKXDXLF-UHFFFAOYSA-N 0 0 237.259 1.659 10 5 BDBERN CCCNc1ncnc(NCC)c1[N+](=O)[O-] ZINC000040596063 169297170 /nfs/dbraw/zinc/29/71/70/169297170.db2.gz HQGCCLWKBVZPNS-UHFFFAOYSA-N 0 0 225.252 1.639 10 5 BDBERN Nc1cc(Cl)c([N+](=O)[O-])c2c[nH]nc21 ZINC000089200651 383944560 /nfs/dbraw/zinc/94/45/60/383944560.db2.gz QYLZWYZSMLMIQY-UHFFFAOYSA-N 0 0 212.596 1.707 10 5 BDBERN CNc1nc(C)c([N+](=O)[O-])c(SC)n1 ZINC000234496950 384192366 /nfs/dbraw/zinc/19/23/66/384192366.db2.gz AEMSUTVUAWFKRD-UHFFFAOYSA-N 0 0 214.250 1.457 10 5 BDBERN O=[N+]([O-])c1ccc(F)c(-c2ncon2)c1 ZINC000096102607 384209336 /nfs/dbraw/zinc/20/93/36/384209336.db2.gz FZTRKJOKTLSOLF-UHFFFAOYSA-N 0 0 209.136 1.784 10 5 BDBERN O=[N+]([O-])c1ccc(C2=CSC3=NCCN23)o1 ZINC000100521964 384337221 /nfs/dbraw/zinc/33/72/21/384337221.db2.gz QWNNGDMXFGRSPJ-UHFFFAOYSA-N 0 0 237.240 1.905 10 5 in-man BDBERN COC(=O)c1c(C)cc(OC)cc1[N+](=O)[O-] ZINC000575679257 384508300 /nfs/dbraw/zinc/50/83/00/384508300.db2.gz QNFIACXTBLASHF-UHFFFAOYSA-N 0 0 225.200 1.698 10 5 BDBERN O=[N+]([O-])c1cnn(-c2ncccc2Cl)c1 ZINC000070451246 384559894 /nfs/dbraw/zinc/55/98/94/384559894.db2.gz FQFRBGDBIRDHLW-UHFFFAOYSA-N 0 0 224.607 1.829 10 5 BDBERN N[C@H]1c2cc([N+](=O)[O-])ccc2N(CC2CC2)C1=O ZINC000100236513 384626166 /nfs/dbraw/zinc/62/61/66/384626166.db2.gz HWIFNKNANOOPEC-NSHDSACASA-N 0 0 247.254 1.351 10 5 BDBERN COC[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000103360612 384764823 /nfs/dbraw/zinc/76/48/23/384764823.db2.gz WECQNWFRGAEQQS-QMMMGPOBSA-N 0 0 238.243 1.816 10 5 BDBERN COc1cc(N2CCCCN2)ccc1[N+](=O)[O-] ZINC000400246864 384771245 /nfs/dbraw/zinc/77/12/45/384771245.db2.gz IKIYJWHPQSLVKQ-UHFFFAOYSA-N 0 0 237.259 1.708 10 5 BDBERN CC[S@](C)(=O)=Nc1ccc([N+](=O)[O-])cn1 ZINC000536951474 384804089 /nfs/dbraw/zinc/80/40/89/384804089.db2.gz REULTTCNWHRGIH-HNNXBMFYSA-N 0 0 229.261 1.739 10 5 BDBERN C=C(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000536957486 384807462 /nfs/dbraw/zinc/80/74/62/384807462.db2.gz DLWGBSSTXHNWLF-UHFFFAOYSA-N 0 0 227.241 1.610 10 5 BDBERN O=C1CCN(Cc2cccc([N+](=O)[O-])c2)C(=O)C1 ZINC000299889360 385553680 /nfs/dbraw/zinc/55/36/80/385553680.db2.gz IFJYVKJRCPLAJW-UHFFFAOYSA-N 0 0 248.238 1.286 10 5 BDBERN N#CC1=C(N)Oc2ccc(F)cc2[C@@H]1C[N+](=O)[O-] ZINC000205373638 385647737 /nfs/dbraw/zinc/64/77/37/385647737.db2.gz KLQRSEOMECZCFZ-VIFPVBQESA-N 0 0 249.201 1.272 10 5 BDBERN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1OC ZINC000260208428 385789548 /nfs/dbraw/zinc/78/95/48/385789548.db2.gz QXJFHLUHCAWLHZ-UHFFFAOYSA-N 0 0 243.190 1.919 10 5 BDBERN CCOC(=O)Cc1cc(OC)ccc1[N+](=O)[O-] ZINC000575339180 386684490 /nfs/dbraw/zinc/68/44/90/386684490.db2.gz MNFJMQQBFICDDY-UHFFFAOYSA-N 0 0 239.227 1.709 10 5 BDBERN CCOc1c(O)cc([N+](=O)[O-])cc1OC ZINC000204914694 386784765 /nfs/dbraw/zinc/78/47/65/386784765.db2.gz WWAYARAEGBRHDW-UHFFFAOYSA-N 0 0 213.189 1.708 10 5 BDBERN O=[N+]([O-])c1c(F)ccc(OC(F)F)c1CO ZINC000575661046 387050562 /nfs/dbraw/zinc/05/05/62/387050562.db2.gz GXDJEHPWJORPHN-UHFFFAOYSA-N 0 0 237.133 1.828 10 5 BDBERN COc1c(OC(F)F)ccc([N+](=O)[O-])c1CO ZINC000575664457 387291258 /nfs/dbraw/zinc/29/12/58/387291258.db2.gz FYGPZKWESHNCTG-UHFFFAOYSA-N 0 0 249.169 1.697 10 5 BDBERN COC(=O)Cc1cc([N+](=O)[O-])c(OC)cc1C ZINC000575677698 387361329 /nfs/dbraw/zinc/36/13/29/387361329.db2.gz CRZAZUIFHIALBU-UHFFFAOYSA-N 0 0 239.227 1.627 10 5 BDBERN O=[N+]([O-])c1cc(Br)cc(O)c1CO ZINC000575691623 387379198 /nfs/dbraw/zinc/37/91/98/387379198.db2.gz PBIFWSXGOZHHBC-UHFFFAOYSA-N 0 0 248.032 1.555 10 5 BDBERN COc1cc(OC(F)F)cc(CO)c1[N+](=O)[O-] ZINC000575666621 387319876 /nfs/dbraw/zinc/31/98/76/387319876.db2.gz WZEDTOYKFZLNII-UHFFFAOYSA-N 0 0 249.169 1.697 10 5 BDBERN O=Cc1c(CO)cc([N+](=O)[O-])cc1C(F)F ZINC000575668948 387324061 /nfs/dbraw/zinc/32/40/61/387324061.db2.gz QJVBWKIJZTYHDH-UHFFFAOYSA-N 0 0 231.154 1.837 10 5 BDBERN O=Cc1cc(CO)cc(C(F)F)c1[N+](=O)[O-] ZINC000575669385 387329615 /nfs/dbraw/zinc/32/96/15/387329615.db2.gz UJICGHBOOKFEKN-UHFFFAOYSA-N 0 0 231.154 1.837 10 5 BDBERN CCOC(=O)Cc1c(N)cc([N+](=O)[O-])cc1F ZINC000575725201 387461768 /nfs/dbraw/zinc/46/17/68/387461768.db2.gz VDIPXXTWBXQJOC-UHFFFAOYSA-N 0 0 242.206 1.422 10 5 BDBERN COc1c(N)ccc(Br)c1[N+](=O)[O-] ZINC000575720213 387441439 /nfs/dbraw/zinc/44/14/39/387441439.db2.gz IHQNPHDGCPWLMD-UHFFFAOYSA-N 0 0 247.048 1.948 10 5 BDBERN COc1c(N)ccc([N+](=O)[O-])c1Br ZINC000575720718 387443169 /nfs/dbraw/zinc/44/31/69/387443169.db2.gz QQDJNZCURVPDRB-UHFFFAOYSA-N 0 0 247.048 1.948 10 5 BDBERN COc1cc(N)cc(OC(F)F)c1[N+](=O)[O-] ZINC000575721152 387443348 /nfs/dbraw/zinc/44/33/48/387443348.db2.gz IYTLDIIMKOVLNZ-UHFFFAOYSA-N 0 0 234.158 1.787 10 5 BDBERN CCOC(=O)c1cc([N+](=O)[O-])cc(CC)c1N ZINC000575725385 387462337 /nfs/dbraw/zinc/46/23/37/387462337.db2.gz XSJKNKFBGFCPQI-UHFFFAOYSA-N 0 0 238.243 1.916 10 5 BDBERN CCOc1cc([N+](=O)[O-])c(C(N)=O)cc1C ZINC000575698817 387391258 /nfs/dbraw/zinc/39/12/58/387391258.db2.gz KXBZNZBUCMPQGZ-UHFFFAOYSA-N 0 0 224.216 1.401 10 5 BDBERN CCOc1cc(OC)c([N+](=O)[O-])cc1C(N)=O ZINC000575698098 387392658 /nfs/dbraw/zinc/39/26/58/387392658.db2.gz BEEYYCLDCLSNMH-UHFFFAOYSA-N 0 0 240.215 1.101 10 5 BDBERN CCOc1cc(C(N)=O)c(OC)cc1[N+](=O)[O-] ZINC000575698062 387393161 /nfs/dbraw/zinc/39/31/61/387393161.db2.gz ACFDZAXEHJSNTE-UHFFFAOYSA-N 0 0 240.215 1.101 10 5 BDBERN CCOc1cc(OC)c(C=O)cc1[N+](=O)[O-] ZINC000575698453 387394273 /nfs/dbraw/zinc/39/42/73/387394273.db2.gz QGQOIMXFUFQBHY-UHFFFAOYSA-N 0 0 225.200 1.815 10 5 BDBERN CCOc1c(C(N)=O)cc(C)cc1[N+](=O)[O-] ZINC000575698653 387397738 /nfs/dbraw/zinc/39/77/38/387397738.db2.gz CHDYTZSCPIVPKN-UHFFFAOYSA-N 0 0 224.216 1.401 10 5 BDBERN CCOC(=O)c1cc([N+](=O)[O-])c(OC)cc1F ZINC000575701562 387405123 /nfs/dbraw/zinc/40/51/23/387405123.db2.gz DNXUQEYIPQAGJT-UHFFFAOYSA-N 0 0 243.190 1.919 10 5 BDBERN CCOC(=O)c1cc(F)cc(OC)c1[N+](=O)[O-] ZINC000575701504 387405575 /nfs/dbraw/zinc/40/55/75/387405575.db2.gz APGHPOBRFVLZBF-UHFFFAOYSA-N 0 0 243.190 1.919 10 5 BDBERN CSc1cc(CO)c([N+](=O)[O-])cc1F ZINC000575710716 387415078 /nfs/dbraw/zinc/41/50/78/387415078.db2.gz UVCXDBUHEUOVIA-UHFFFAOYSA-N 0 0 217.221 1.948 10 5 BDBERN COC(=O)c1c(O)ccc(Cl)c1[N+](=O)[O-] ZINC000575712933 387417492 /nfs/dbraw/zinc/41/74/92/387417492.db2.gz RGYFLBUHFVKEBU-UHFFFAOYSA-N 0 0 231.591 1.740 10 5 BDBERN CCOC(=O)c1cc(C)c([N+](=O)[O-])cc1N ZINC000575726099 387462963 /nfs/dbraw/zinc/46/29/63/387462963.db2.gz LJYDYGAMYZEVBO-UHFFFAOYSA-N 0 0 224.216 1.662 10 5 BDBERN Nc1c(O)ccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000575728907 387467812 /nfs/dbraw/zinc/46/78/12/387467812.db2.gz SJOHACRLRCPSIC-UHFFFAOYSA-N 0 0 222.122 1.901 10 5 BDBERN CC[C@](C)(CCO)Nc1ccc([N+](=O)[O-])cn1 ZINC000230216478 388363743 /nfs/dbraw/zinc/36/37/43/388363743.db2.gz PBIBXMIEWJUDHT-LLVKDONJSA-N 0 0 239.275 1.953 10 5 BDBERN Nc1nc2cc3ccccc3cc2c(=O)[nH]1 ZINC000144185452 388742195 /nfs/dbraw/zinc/74/21/95/388742195.db2.gz IFBGAMXFAYZTEC-UHFFFAOYSA-N 0 0 211.224 1.659 10 5 BDBERN O=C1OC[C@H](C[N+](=O)[O-])c2ccccc21 ZINC000022064643 388825356 /nfs/dbraw/zinc/82/53/56/388825356.db2.gz UXUUAZVUBCBCFA-ZETCQYMHSA-N 0 0 207.185 1.217 10 5 in-vitro BDBERN Cc1cnn(CCNc2ccncc2[N+](=O)[O-])c1 ZINC000223018240 134336278 /nfs/dbraw/zinc/33/62/78/134336278.db2.gz YUVQOSNQSSGCMK-UHFFFAOYSA-N 0 0 247.258 1.607 10 5 BDBERN CCNc1cc(C(N)=O)ccc1[N+](=O)[O-] ZINC000054414544 170171106 /nfs/dbraw/zinc/17/11/06/170171106.db2.gz KCXSDHJWFIIPSL-UHFFFAOYSA-N 0 0 209.205 1.126 10 5 BDBERN CCNc1cc2c(cc1[N+](=O)[O-])CC(=O)N2 ZINC000035232970 170173092 /nfs/dbraw/zinc/17/30/92/170173092.db2.gz BIGDFQAWWNVQAS-UHFFFAOYSA-N 0 0 221.216 1.521 10 5 BDBERN CCOC(=O)[C@@H](C)Nc1cccc([N+](=O)[O-])c1 ZINC000049374163 170248055 /nfs/dbraw/zinc/24/80/55/170248055.db2.gz CBPOTKMSUDPFPX-MRVPVSSYSA-N 0 0 238.243 1.958 10 5 BDBERN CCOC(=O)c1onc(C)c1[N+](=O)[O-] ZINC000095917579 170310969 /nfs/dbraw/zinc/31/09/69/170310969.db2.gz ZEFOVTCKAXUFPG-UHFFFAOYSA-N 0 0 200.150 1.068 10 5 BDBERN CCn1c(C)nnc1-c1ccc([N+](=O)[O-])cc1N ZINC000062823719 172139575 /nfs/dbraw/zinc/13/95/75/172139575.db2.gz LZVKNSBKEZDREE-UHFFFAOYSA-N 0 0 247.258 1.764 10 5 BDBERN CNC(=O)CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000035277444 173279055 /nfs/dbraw/zinc/27/90/55/173279055.db2.gz PHFYPVJZUACBHF-UHFFFAOYSA-N 0 0 223.232 1.061 10 5 BDBERN C[C@@H]1CN=C(c2cccc([N+](=O)[O-])c2)O1 ZINC000002046037 176323852 /nfs/dbraw/zinc/32/38/52/176323852.db2.gz UOZAQHOJIYVGFA-SSDOTTSWSA-N 0 0 206.201 1.760 10 5 BDBERN C[C@H](Nc1ccc([N+](=O)[O-])nc1)[C@@H]1CCCO1 ZINC000053297353 176934156 /nfs/dbraw/zinc/93/41/56/176934156.db2.gz WFSNZHBRDSSRNK-WPRPVWTQSA-N 0 0 237.259 1.969 10 5 BDBERN C[C@H](O)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000109486149 177003458 /nfs/dbraw/zinc/00/34/58/177003458.db2.gz REQLIKUTBWFQKT-ZETCQYMHSA-N 0 0 249.226 1.568 10 5 BDBERN C[C@H](O)[C@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000306423874 177012446 /nfs/dbraw/zinc/01/24/46/177012446.db2.gz BVKYQYOICYJHQK-WHFBIAKZSA-N 0 0 217.250 1.233 10 5 BDBERN C[C@H]1C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000052288523 177348040 /nfs/dbraw/zinc/34/80/40/177348040.db2.gz HSNMYGAJXSUIGI-WKEGUHRASA-N 0 0 238.218 1.872 10 5 BDBERN C[C@H]1C[C@@H]1Nc1cc2c(cc1[N+](=O)[O-])CC(=O)N2 ZINC000052290859 177350669 /nfs/dbraw/zinc/35/06/69/177350669.db2.gz LBLWTPDHJUGGFS-XPUUQOCRSA-N 0 0 247.254 1.910 10 5 BDBERN C[C@H]1C[C@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183580399 177384116 /nfs/dbraw/zinc/38/41/16/177384116.db2.gz KRHQKEGYRYSHEF-POYBYMJQSA-N 0 0 236.231 1.520 10 5 BDBERN C[C@H](O)c1cc([N+](=O)[O-])cc2nc[nH]c21 ZINC000575442101 487684062 /nfs/dbraw/zinc/68/40/62/487684062.db2.gz HOKRYFXUZCDCQX-YFKPBYRVSA-N 0 0 207.189 1.524 10 5 BDBERN O=[N+]([O-])c1cnc2c(Br)cnn2c1 ZINC000039279451 488134642 /nfs/dbraw/zinc/13/46/42/488134642.db2.gz FKNDUFJFZQKVHJ-UHFFFAOYSA-N 0 0 243.020 1.400 10 5 BDBERN COC(=O)Cc1c(F)cccc1[N+](=O)[O-] ZINC000220138245 490614594 /nfs/dbraw/zinc/61/45/94/490614594.db2.gz GNMAMXOYLVAKSI-UHFFFAOYSA-N 0 0 213.164 1.449 10 5 BDBERN C[C@@H](O)[C@@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000309957971 632686895 /nfs/dbraw/zinc/68/68/95/632686895.db2.gz JLMZRZHVTTVESB-RNFRBKRXSA-N 0 0 228.223 1.915 10 5 BDBERN C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])[C@H](C)O ZINC000309957972 632687049 /nfs/dbraw/zinc/68/70/49/632687049.db2.gz JLMZRZHVTTVESB-RQJHMYQMSA-N 0 0 228.223 1.915 10 5 BDBERN C[C@H](O)[C@H](C)Nc1ccc([N+](=O)[O-])c(N)c1F ZINC000343795833 636775901 /nfs/dbraw/zinc/77/59/01/636775901.db2.gz RPHUYOGWHCTFEU-WDSKDSINSA-N 0 0 243.238 1.497 10 5 BDBERN CC(C)N1Cc2cccc([N+](=O)[O-])c2C1=O ZINC000685958512 538906109 /nfs/dbraw/zinc/90/61/09/538906109.db2.gz ZMWDSBYJWOKZOA-UHFFFAOYSA-N 0 0 220.228 1.959 10 5 BDBERN O=c1[nH]c(=O)c2ccc3ccccc3c2o1 ZINC000196600718 349507094 /nfs/dbraw/zinc/50/70/94/349507094.db2.gz HBQVMXQOLHBXDS-UHFFFAOYSA-N 0 0 213.192 1.635 10 5 BDBERN COCC(=O)Nc1c(OC)cccc1[N+](=O)[O-] ZINC000144461239 342742338 /nfs/dbraw/zinc/74/23/38/342742338.db2.gz HOZYYLDGTURKTB-UHFFFAOYSA-N 0 0 240.215 1.188 10 5 BDBERN O=C/C=C\[C@@]1([N+](=O)[O-])CCCCCCC1=O ZINC000222859575 342738670 /nfs/dbraw/zinc/73/86/70/342738670.db2.gz PXGBGKXNPALLCS-OFSNVTPPSA-N 0 0 225.244 1.680 10 5 BDBERN NC(=O)C(F)(F)c1cccc([N+](=O)[O-])c1 ZINC000147406197 342776203 /nfs/dbraw/zinc/77/62/03/342776203.db2.gz VFFFGWWWEHIXRR-UHFFFAOYSA-N 0 0 216.143 1.172 10 5 BDBERN Cc1cc(=O)[nH]c2c1cccc2[N+](=O)[O-] ZINC000138224925 342801027 /nfs/dbraw/zinc/80/10/27/342801027.db2.gz WMZANBATPGGQAH-UHFFFAOYSA-N 0 0 204.185 1.745 10 5 BDBERN CCOC(=O)Cc1c(N)cccc1[N+](=O)[O-] ZINC000309170387 342899360 /nfs/dbraw/zinc/89/93/60/342899360.db2.gz NWMYXEABSQHFMI-UHFFFAOYSA-N 0 0 224.216 1.283 10 5 BDBERN CCOc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000260459386 349717138 /nfs/dbraw/zinc/71/71/38/349717138.db2.gz RONBMMTZBJYWMJ-UHFFFAOYSA-N 0 0 225.200 1.780 10 5 BDBERN Cc1c(N)cc([N+](=O)[O-])c([N+](=O)[O-])c1F ZINC000043220575 343008949 /nfs/dbraw/zinc/00/89/49/343008949.db2.gz QCKLCHIWKANNFT-UHFFFAOYSA-N 0 0 215.140 1.533 10 5 BDBERN Cc1nn(Cc2ccccc2)c(N)c1[N+](=O)[O-] ZINC000043670684 343698960 /nfs/dbraw/zinc/69/89/60/343698960.db2.gz VZAJPGKZXNTMBK-UHFFFAOYSA-N 0 0 232.243 1.730 10 5 BDBERN O=[N+]([O-])c1cnn(CC2CC2)c1Cl ZINC000145277556 343707716 /nfs/dbraw/zinc/70/77/16/343707716.db2.gz DTJSUJUEBCGMGF-UHFFFAOYSA-N 0 0 201.613 1.855 10 5 BDBERN O=[N+]([O-])c1cc([C@@H]2NCCS2)cs1 ZINC000050522916 344706190 /nfs/dbraw/zinc/70/61/90/344706190.db2.gz IWZLIVKDSHFLSJ-SSDOTTSWSA-N 0 0 216.287 1.991 10 5 BDBERN COCCOc1ccc([N+](=O)[O-])cc1N ZINC000005141093 344968612 /nfs/dbraw/zinc/96/86/12/344968612.db2.gz MMCLHWIYWJXPQE-UHFFFAOYSA-N 0 0 212.205 1.202 10 5 BDBERN COc1cc(C=O)c([N+](=O)[O-])c(OC)c1 ZINC000166727951 344974357 /nfs/dbraw/zinc/97/43/57/344974357.db2.gz LHPBKYYZZYAKOS-UHFFFAOYSA-N 0 0 211.173 1.425 10 5 BDBERN COC(=O)Cc1c(C)cccc1[N+](=O)[O-] ZINC000238381238 345036261 /nfs/dbraw/zinc/03/62/61/345036261.db2.gz OWQOXLZIBRKHIS-UHFFFAOYSA-N 0 0 209.201 1.619 10 5 BDBERN O=[N+]([O-])c1cc(O)cc(OC(F)F)c1 ZINC000238708209 345114878 /nfs/dbraw/zinc/11/48/78/345114878.db2.gz WROBLEYAYDJFSV-UHFFFAOYSA-N 0 0 205.116 1.902 10 5 BDBERN Cn1ncc([N+](=O)[O-])c1C1(O)CCC=CCC1 ZINC000219617378 345859236 /nfs/dbraw/zinc/85/92/36/345859236.db2.gz UOSUYNLRJXQLFX-UHFFFAOYSA-N 0 0 237.259 1.646 10 5 BDBERN O=[N+]([O-])c1cc(CO)cnc1OC(F)(F)F ZINC000390521746 346091999 /nfs/dbraw/zinc/09/19/99/346091999.db2.gz GTRFBWQQQQTZAX-UHFFFAOYSA-N 0 0 238.121 1.381 10 5 BDBERN CCOC(=O)c1cn2cc([N+](=O)[O-])c(C)cc2n1 ZINC000034361355 346251856 /nfs/dbraw/zinc/25/18/56/346251856.db2.gz BXASSRPZSZSAPL-UHFFFAOYSA-N 0 0 249.226 1.728 10 5 BDBERN C/C=C/C(=O)Nc1ncc([N+](=O)[O-])s1 ZINC000005566308 346254721 /nfs/dbraw/zinc/25/47/21/346254721.db2.gz FVIZHZHKAIRCSY-NSCUHMNNSA-N 0 0 213.218 1.566 10 5 BDBERN O=C(CCc1ccc([N+](=O)[O-])cc1)N1CCC1 ZINC000148801608 346452333 /nfs/dbraw/zinc/45/23/33/346452333.db2.gz INZCQRPXEMDGQB-UHFFFAOYSA-N 0 0 234.255 1.760 10 5 BDBERN Cn1nc(C2CCCC2)c([N+](=O)[O-])c1C(N)=O ZINC000165467782 346652040 /nfs/dbraw/zinc/65/20/40/346652040.db2.gz KKHYAINVWLZASQ-UHFFFAOYSA-N 0 0 238.247 1.085 10 5 BDBERN O=C1CCCN1c1ccc([N+](=O)[O-])nc1 ZINC000115709408 347356586 /nfs/dbraw/zinc/35/65/86/347356586.db2.gz DQQSOXPLHYGSHO-UHFFFAOYSA-N 0 0 207.189 1.117 10 5 BDBERN CN1CCc2ccccc2[C@@H]1C[N+](=O)[O-] ZINC000198044821 348605965 /nfs/dbraw/zinc/60/59/65/348605965.db2.gz WWALMKXBBFEROQ-NSHDSACASA-N 0 0 206.245 1.492 10 5 BDBERN CC(C)Oc1cc(-n2cncn2)ccc1[N+](=O)[O-] ZINC000214780971 350001478 /nfs/dbraw/zinc/00/14/78/350001478.db2.gz GOBPYWZSUZFNIO-UHFFFAOYSA-N 0 0 248.242 1.963 10 5 BDBERN Cc1nc2cccc([N+](=O)[O-])c2[n+]([O-])c1C ZINC000039110049 180101782 /nfs/dbraw/zinc/10/17/82/180101782.db2.gz HHSLRUGKJDXKAM-UHFFFAOYSA-N 0 0 219.200 1.393 10 5 BDBERN CC1(C)C[C@H](O)C[C@@](C)(C[N+](=O)[O-])C1 ZINC000104838776 191066563 /nfs/dbraw/zinc/06/65/63/191066563.db2.gz IFLQVDZLJLGAKC-WCBMZHEXSA-N 0 0 201.266 1.840 10 5 BDBERN Cc1nn(C)c(N[C@H]2C[C@@H]2C)c1[N+](=O)[O-] ZINC000052291385 180360546 /nfs/dbraw/zinc/36/05/46/180360546.db2.gz HVWCKGRMAALFDF-FSPLSTOPSA-N 0 0 210.237 1.457 10 5 BDBERN CN(c1ccc([N+](=O)[O-])c2nonc21)C1CC1 ZINC000725264897 538092878 /nfs/dbraw/zinc/09/28/78/538092878.db2.gz SEAXSZRYDCBAEW-UHFFFAOYSA-N 0 0 234.215 1.730 10 5 BDBERN Cc1nn([C@H](C)C(C)C)c(N)c1[N+](=O)[O-] ZINC000043670481 180393580 /nfs/dbraw/zinc/39/35/80/180393580.db2.gz KVPBKAGIBYIEIN-SSDOTTSWSA-N 0 0 212.253 1.899 10 5 BDBERN O=CNc1cccc([N+](=O)[O-])c1Cl ZINC000306897020 351309415 /nfs/dbraw/zinc/30/94/15/351309415.db2.gz ROQYDBCPUPTMDL-UHFFFAOYSA-N 0 0 200.581 1.817 10 5 BDBERN Cn1cc([N+](=O)[O-])nc1-c1ccccn1 ZINC000104835001 180675626 /nfs/dbraw/zinc/67/56/26/180675626.db2.gz AJVJGRSKBRVULA-UHFFFAOYSA-N 0 0 204.189 1.390 10 5 BDBERN C[C@H]1OC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000084668629 187624263 /nfs/dbraw/zinc/62/42/63/187624263.db2.gz WEBGAJCDLVMIGD-ZCFIWIBFSA-N 0 0 236.183 1.467 10 5 BDBERN Cc1ccc(C(N)=O)c([N+](=O)[O-])c1Cl ZINC000307408812 352580871 /nfs/dbraw/zinc/58/08/71/352580871.db2.gz FLKXLNKZNFCZIM-UHFFFAOYSA-N 0 0 214.608 1.656 10 5 BDBERN CN(C)c1c(Br)cncc1[N+](=O)[O-] ZINC000307653983 352741659 /nfs/dbraw/zinc/74/16/59/352741659.db2.gz QGFDDQLQXVPXEO-UHFFFAOYSA-N 0 0 246.064 1.818 10 5 BDBERN Cc1c(N)n(C)nc1-c1ccccc1[N+](=O)[O-] ZINC000034976137 188285040 /nfs/dbraw/zinc/28/50/40/188285040.db2.gz PWXSBDRECWBPHA-UHFFFAOYSA-N 0 0 232.243 1.886 10 5 BDBERN CC1(C)NC(=O)c2cccc([N+](=O)[O-])c2O1 ZINC000040443204 188292293 /nfs/dbraw/zinc/29/22/93/188292293.db2.gz NUIKQADMWYMLDA-UHFFFAOYSA-N 0 0 222.200 1.453 10 5 BDBERN O=[N+]([O-])c1ccc([C@@H]2CO[C@H](CO)C2)cc1 ZINC000675058683 538481660 /nfs/dbraw/zinc/48/16/60/538481660.db2.gz SECHSLSZMHKGBX-ONGXEEELSA-N 0 0 223.228 1.460 10 5 BDBERN O=[N+]([O-])c1cccc([C@H]2CC[C@H](CO)OC2)c1 ZINC000675058666 538482369 /nfs/dbraw/zinc/48/23/69/538482369.db2.gz RNVKFVYJLBCUDD-CMPLNLGQSA-N 0 0 237.255 1.850 10 5 BDBERN Cc1c(-c2ccn(C)n2)cncc1[N+](=O)[O-] ZINC000685947774 538889418 /nfs/dbraw/zinc/88/94/18/538889418.db2.gz ZTMLXZLBOLOFDB-UHFFFAOYSA-N 0 0 218.216 1.699 10 5 BDBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N ZINC000137828263 358004331 /nfs/dbraw/zinc/00/43/31/358004331.db2.gz NQVDYKOGHUVUGH-UHFFFAOYSA-N 0 0 230.607 1.617 10 5 BDBERN O=[N+]([O-])c1cnn([C@H]2CC[C@H](O)CC2)c1 ZINC000584601249 358258358 /nfs/dbraw/zinc/25/83/58/358258358.db2.gz FKRKATIGGFEWIP-XWEPSHTISA-N 0 0 211.221 1.267 10 5 BDBERN Cc1csc2nc(C)c([N+](=O)[O-])c(=O)n12 ZINC000584631378 358294880 /nfs/dbraw/zinc/29/48/80/358294880.db2.gz RPCXUJRAHJNVCP-UHFFFAOYSA-N 0 0 225.229 1.281 10 5 BDBERN COC(=O)c1cnc2cc([N+](=O)[O-])ccc2c1 ZINC000584640428 358326756 /nfs/dbraw/zinc/32/67/56/358326756.db2.gz GIBYFFYHFUTCDN-UHFFFAOYSA-N 0 0 232.195 1.930 10 5 BDBERN COC(=O)c1cc([N+](=O)[O-])ccc1C=O ZINC000138120576 360069156 /nfs/dbraw/zinc/06/91/56/360069156.db2.gz DPABNAAJVWBNAT-UHFFFAOYSA-N 0 0 209.157 1.194 10 5 BDBERN CC(=O)N1CCc2cc([N+](=O)[O-])c(N)cc21 ZINC000016678010 360432909 /nfs/dbraw/zinc/43/29/09/360432909.db2.gz LKKQICUKSUULEO-UHFFFAOYSA-N 0 0 221.216 1.086 10 5 BDBERN O=Cc1cc([N+](=O)[O-])ccc1N1CCC1 ZINC000306580080 360470849 /nfs/dbraw/zinc/47/08/49/360470849.db2.gz NOOHYVBDBMMBPM-UHFFFAOYSA-N 0 0 206.201 1.617 10 5 BDBERN NC(=O)c1sc([N+](=O)[O-])cc1Cl ZINC000002566988 181314347 /nfs/dbraw/zinc/31/43/47/181314347.db2.gz XJHPBKHQFXNRAU-UHFFFAOYSA-N 0 0 206.610 1.409 10 5 BDBERN Nc1cc(OC(F)(F)F)ncc1[N+](=O)[O-] ZINC000238705805 361364462 /nfs/dbraw/zinc/36/44/62/361364462.db2.gz KXVFPSKXFIYXRI-UHFFFAOYSA-N 0 0 223.110 1.471 10 5 BDBERN C=CS(=O)(=O)c1nccc(C)c1[N+](=O)[O-] ZINC000070062855 361393846 /nfs/dbraw/zinc/39/38/46/361393846.db2.gz IWYWVIREPUFONN-UHFFFAOYSA-N 0 0 228.229 1.215 10 5 BDBERN O=[N+]([O-])c1cccc([C@H]2CO[C@@H](CO)C2)c1 ZINC000675060373 541463370 /nfs/dbraw/zinc/46/33/70/541463370.db2.gz FZWYNPKHGULRLN-MWLCHTKSSA-N 0 0 223.228 1.460 10 5 BDBERN CN(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000048315039 368331878 /nfs/dbraw/zinc/33/18/78/368331878.db2.gz ZCFKJKHLVFCORL-UHFFFAOYSA-N 0 0 233.227 1.778 10 5 BDBERN CN1CCN(c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000147122354 368350945 /nfs/dbraw/zinc/35/09/45/368350945.db2.gz NRZLWURJDLIZMX-UHFFFAOYSA-N 0 0 237.259 1.052 10 5 BDBERN Nc1nnc(-c2cncc([N+](=O)[O-])c2)s1 ZINC000224670694 368366158 /nfs/dbraw/zinc/36/61/58/368366158.db2.gz JWYVSEHLPNCAMQ-UHFFFAOYSA-N 0 0 223.217 1.091 10 5 BDBERN Nc1cc(C(=O)NC2CC2)ccc1[N+](=O)[O-] ZINC000054414361 181678743 /nfs/dbraw/zinc/67/87/43/181678743.db2.gz OVRKEWOZENEKSU-UHFFFAOYSA-N 0 0 221.216 1.069 10 5 BDBERN O=C(Cc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000038125320 182038662 /nfs/dbraw/zinc/03/86/62/182038662.db2.gz PHOZPCQJCAGSKJ-UHFFFAOYSA-N 0 0 215.155 1.972 10 5 BDBERN O=Cc1c(OC(F)(F)F)cncc1[N+](=O)[O-] ZINC000381085217 373847696 /nfs/dbraw/zinc/84/76/96/373847696.db2.gz SPWNRLJXBHMDSP-UHFFFAOYSA-N 0 0 236.105 1.701 10 5 BDBERN O=[N+]([O-])c1ccc(NCc2cn[nH]c2)cc1 ZINC000038006569 182936700 /nfs/dbraw/zinc/93/67/00/182936700.db2.gz RHHWETMUZYWDFS-UHFFFAOYSA-N 0 0 218.216 1.930 10 5 BDBERN O=[N+]([O-])c1cnc(NC[C@H]2CCC[C@H]2O)s1 ZINC000226774253 182958333 /nfs/dbraw/zinc/95/83/33/182958333.db2.gz DUOUFTLCAAPISQ-RNFRBKRXSA-N 0 0 243.288 1.624 10 5 BDBERN O=[N+]([O-])c1ccc([C@H]2NCCS2)o1 ZINC000050522817 384073490 /nfs/dbraw/zinc/07/34/90/384073490.db2.gz ZXHOUAGCSDRRFI-ZETCQYMHSA-N 0 0 200.219 1.523 10 5 BDBERN O=[N+]([O-])c1ccc(OC(F)F)c(F)c1CO ZINC000575661938 384418393 /nfs/dbraw/zinc/41/83/93/384418393.db2.gz WJYWQJJOQZPKPR-UHFFFAOYSA-N 0 0 237.133 1.828 10 5 BDBERN COc1c(C(C)=O)cc(N)cc1[N+](=O)[O-] ZINC000575716572 384877371 /nfs/dbraw/zinc/87/73/71/384877371.db2.gz HHGZEHVQDVWOLQ-UHFFFAOYSA-N 0 0 210.189 1.388 10 5 BDBERN O=[N+]([O-])C[C@@H](O)c1ccc(Br)nc1 ZINC000071973668 384887484 /nfs/dbraw/zinc/88/74/84/384887484.db2.gz VAYAVDYLYQGEJI-ZCFIWIBFSA-N 0 0 247.048 1.154 10 5 BDBERN Cc1nnc(COc2ccccc2[N+](=O)[O-])[nH]1 ZINC000072237511 384844275 /nfs/dbraw/zinc/84/42/75/384844275.db2.gz WKAQSUNXCQNOAS-UHFFFAOYSA-N 0 0 234.215 1.600 10 5 BDBERN N#CC1=C(N)Oc2ccc(F)cc2[C@H]1C[N+](=O)[O-] ZINC000205373652 385647715 /nfs/dbraw/zinc/64/77/15/385647715.db2.gz KLQRSEOMECZCFZ-SECBINFHSA-N 0 0 249.201 1.272 10 5 BDBERN C[C@@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000052291349 385721350 /nfs/dbraw/zinc/72/13/50/385721350.db2.gz KZEJIXSDCZWCCQ-VDTYLAMSSA-N 0 0 234.215 1.951 10 5 BDBERN CNc1ccc(C(=O)N[C@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000052303108 385724644 /nfs/dbraw/zinc/72/46/44/385724644.db2.gz FBASRZYXQINOHR-XVKPBYJWSA-N 0 0 249.270 1.775 10 5 BDBERN CN(c1ncc([N+](=O)[O-])cn1)[C@@H]1CC1(C)C ZINC000302840472 385814459 /nfs/dbraw/zinc/81/44/59/385814459.db2.gz CGTRSIWOYIEHCE-MRVPVSSYSA-N 0 0 222.248 1.620 10 5 BDBERN CN(c1ncc([N+](=O)[O-])cn1)[C@H]1CC1(C)C ZINC000302840473 385814638 /nfs/dbraw/zinc/81/46/38/385814638.db2.gz CGTRSIWOYIEHCE-QMMMGPOBSA-N 0 0 222.248 1.620 10 5 BDBERN C[C@H]1CCCN1Cc1c([N+](=O)[O-])ncn1C ZINC000408309744 386009051 /nfs/dbraw/zinc/00/90/51/386009051.db2.gz OGVQTOPOKBZOGR-QMMMGPOBSA-N 0 0 224.264 1.313 10 5 BDBERN CCOC(=O)c1ncsc1[N+](=O)[O-] ZINC000261286932 386016308 /nfs/dbraw/zinc/01/63/08/386016308.db2.gz YBTVCTRQXZTMOH-UHFFFAOYSA-N 0 0 202.191 1.228 10 5 BDBERN C[C@H]1O[C@@H]1COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002504809 386117319 /nfs/dbraw/zinc/11/73/19/386117319.db2.gz BPOPJHHLTDEVBN-GMSGAONNSA-N 0 0 237.211 1.539 10 5 BDBERN O=[N+]([O-])c1cc(CO)c(OC(F)F)cc1F ZINC000575660846 387054267 /nfs/dbraw/zinc/05/42/67/387054267.db2.gz ARXAECYVOIJTSW-UHFFFAOYSA-N 0 0 237.133 1.828 10 5 BDBERN O=[N+]([O-])c1c(F)cc(OC(F)F)cc1CO ZINC000575661386 387060617 /nfs/dbraw/zinc/06/06/17/387060617.db2.gz NUOWLRDBQDEZNW-UHFFFAOYSA-N 0 0 237.133 1.828 10 5 BDBERN CO/C=C\c1cccc([N+](=O)[O-])c1C(=O)OC ZINC000203944423 387015003 /nfs/dbraw/zinc/01/50/03/387015003.db2.gz JVHIZFOEWLXRJA-SREVYHEPSA-N 0 0 237.211 1.999 10 5 BDBERN O=Cc1cc(O)c(OC(F)F)c([N+](=O)[O-])c1 ZINC000575662671 387199145 /nfs/dbraw/zinc/19/91/45/387199145.db2.gz GJHBRWJSISENQL-UHFFFAOYSA-N 0 0 233.126 1.714 10 5 BDBERN Cc1c(CO)cc([N+](=O)[O-])cc1OC(F)F ZINC000575666036 387312012 /nfs/dbraw/zinc/31/20/12/387312012.db2.gz GIUSYINUASSDGA-UHFFFAOYSA-N 0 0 233.170 1.997 10 5 BDBERN COC(=O)Cc1c(F)cc(OC)cc1[N+](=O)[O-] ZINC000575715045 387429259 /nfs/dbraw/zinc/42/92/59/387429259.db2.gz QUNKWZXZGNHMBR-UHFFFAOYSA-N 0 0 243.190 1.458 10 5 BDBERN COc1c(N)cc([N+](=O)[O-])cc1C(C)=O ZINC000575717385 387435324 /nfs/dbraw/zinc/43/53/24/387435324.db2.gz TUCCEVAXARCRML-UHFFFAOYSA-N 0 0 210.189 1.388 10 5 BDBERN CCOC(=O)Cc1c(C)c(N)ccc1[N+](=O)[O-] ZINC000575725552 387458496 /nfs/dbraw/zinc/45/84/96/387458496.db2.gz GGFVVXMBFPHIKE-UHFFFAOYSA-N 0 0 238.243 1.591 10 5 BDBERN CCOc1c([N+](=O)[O-])ccc(OC)c1C(N)=O ZINC000575698197 387392418 /nfs/dbraw/zinc/39/24/18/387392418.db2.gz FYRCVJVRRZSZMD-UHFFFAOYSA-N 0 0 240.215 1.101 10 5 BDBERN CCOc1cc(C=O)c(OC)c([N+](=O)[O-])c1 ZINC000575698107 387392708 /nfs/dbraw/zinc/39/27/08/387392708.db2.gz BPCYKQPVRTYXNB-UHFFFAOYSA-N 0 0 225.200 1.815 10 5 BDBERN CCOc1cc([N+](=O)[O-])cc(CO)c1F ZINC000575697840 387393124 /nfs/dbraw/zinc/39/31/24/387393124.db2.gz OCKJPMSKJCTFRM-UHFFFAOYSA-N 0 0 215.180 1.625 10 5 BDBERN CCOC(=O)c1cc([N+](=O)[O-])c(F)cc1OC ZINC000575701752 387405200 /nfs/dbraw/zinc/40/52/00/387405200.db2.gz GWACDVCLMNWVFW-UHFFFAOYSA-N 0 0 243.190 1.919 10 5 BDBERN CCOC(=O)Cc1ccc([N+](=O)[O-])c(C)c1N ZINC000575726248 387463229 /nfs/dbraw/zinc/46/32/29/387463229.db2.gz NGAXKGRDHVSKKS-UHFFFAOYSA-N 0 0 238.243 1.591 10 5 BDBERN CCOC(=O)Cc1cc(C)c(N)cc1[N+](=O)[O-] ZINC000575726307 387463881 /nfs/dbraw/zinc/46/38/81/387463881.db2.gz NRHSNXDZWRFKQU-UHFFFAOYSA-N 0 0 238.243 1.591 10 5 BDBERN Nc1c(O)ccc([N+](=O)[O-])c1OC(F)(F)F ZINC000575727959 387465073 /nfs/dbraw/zinc/46/50/73/387465073.db2.gz MBCKGVPKWUCWST-UHFFFAOYSA-N 0 0 238.121 1.781 10 5 BDBERN Nc1cc([N+](=O)[O-])cc(O)c1OC(F)(F)F ZINC000575728433 387465856 /nfs/dbraw/zinc/46/58/56/387465856.db2.gz PDVIXHXOUCRDTM-UHFFFAOYSA-N 0 0 238.121 1.781 10 5 BDBERN COC(=O)Cc1cc(N)cc(Cl)c1[N+](=O)[O-] ZINC000575730976 387473017 /nfs/dbraw/zinc/47/30/17/387473017.db2.gz ZVPBGVFXFHBYEP-UHFFFAOYSA-N 0 0 244.634 1.546 10 5 BDBERN COc1cc2nc(C)[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000575624279 387811764 /nfs/dbraw/zinc/81/17/64/387811764.db2.gz XEEZGVTWDKTBKJ-UHFFFAOYSA-N 0 0 235.199 1.561 10 5 BDBERN COC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]c1=O ZINC000575624183 387816623 /nfs/dbraw/zinc/81/66/23/387816623.db2.gz ONPZLDFFMDVPLF-UHFFFAOYSA-N 0 0 248.194 1.223 10 5 BDBERN Cc1cc(C(=O)N[C@H]2C[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000104896546 177815574 /nfs/dbraw/zinc/81/55/74/177815574.db2.gz CYIBFBBRFDHHKI-APPZFPTMSA-N 0 0 249.270 1.624 10 5 BDBERN CC[C@@](C)(CCO)Nc1ccc([N+](=O)[O-])nc1 ZINC000228607699 388386423 /nfs/dbraw/zinc/38/64/23/388386423.db2.gz COPXDNYZRRXWBL-NSHDSACASA-N 0 0 239.275 1.953 10 5 BDBERN CNc1cccc([N+](=O)[O-])c1C(=O)OC ZINC000032302458 388395003 /nfs/dbraw/zinc/39/50/03/388395003.db2.gz KEOLGEPDCZTXFG-UHFFFAOYSA-N 0 0 210.189 1.423 10 5 BDBERN O=[N+]([O-])c1cnc(N2CCCCC2)cn1 ZINC000095616534 132429707 /nfs/dbraw/zinc/42/97/07/132429707.db2.gz KVBGLEHQWUFTDP-UHFFFAOYSA-N 0 0 208.221 1.375 10 5 BDBERN NCC(F)(F)c1cccc([N+](=O)[O-])c1 ZINC000137039033 397933535 /nfs/dbraw/zinc/93/35/35/397933535.db2.gz HBOSPZDJOCQBFY-UHFFFAOYSA-N 0 0 202.160 1.645 10 5 BDBERN COC(=O)Cc1ccc([N+](=O)[O-])c(N)c1Cl ZINC000575725766 398069049 /nfs/dbraw/zinc/06/90/49/398069049.db2.gz KOAMKXSOFCXXRU-UHFFFAOYSA-N 0 0 244.634 1.546 10 5 BDBERN CCOC(=O)c1cc(OC)c(N)cc1[N+](=O)[O-] ZINC000575724603 398069598 /nfs/dbraw/zinc/06/95/98/398069598.db2.gz LIJBQFPXRZDGEH-UHFFFAOYSA-N 0 0 240.215 1.362 10 5 BDBERN CC(C)CN1c2ccc([N+](=O)[O-])cc2C(=O)C1=O ZINC000019966788 166963566 /nfs/dbraw/zinc/96/35/66/166963566.db2.gz FHQWUOFKYWJMAH-UHFFFAOYSA-N 0 0 248.238 1.780 10 5 BDBERN CCOC(=O)Cc1nc(OC)ccc1[N+](=O)[O-] ZINC000098180032 170237128 /nfs/dbraw/zinc/23/71/28/170237128.db2.gz QAWGKRWKMKFAHW-UHFFFAOYSA-N 0 0 240.215 1.104 10 5 BDBERN CCOC(=O)c1cc(N)cc([N+](=O)[O-])c1C ZINC000062350425 170292255 /nfs/dbraw/zinc/29/22/55/170292255.db2.gz FOKSAURVLJWMFU-UHFFFAOYSA-N 0 0 224.216 1.662 10 5 BDBERN CC[C@H](Sc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000061680091 171595695 /nfs/dbraw/zinc/59/56/95/171595695.db2.gz VBOFSUWLYAYBAS-VIFPVBQESA-N 0 0 240.284 1.951 10 5 BDBERN CN1CC[C@H](C(C)(C)[N+](=O)[O-])CC1=S ZINC000034566341 173143373 /nfs/dbraw/zinc/14/33/73/173143373.db2.gz PGPOMPLLMKRQPT-ZETCQYMHSA-N 0 0 216.306 1.711 10 5 BDBERN CNc1ccc([N+](=O)[O-])c(C(=O)NCC2CC2)c1 ZINC000050726978 173480950 /nfs/dbraw/zinc/48/09/50/173480950.db2.gz OUZKGZCLXGRLPO-UHFFFAOYSA-N 0 0 249.270 1.776 10 5 BDBERN COc1ccc(OC)c([C@H](O)C[N+](=O)[O-])c1 ZINC000002513710 175169005 /nfs/dbraw/zinc/16/90/05/175169005.db2.gz QRPRIJUIJFISJN-SECBINFHSA-N 0 0 227.216 1.014 10 5 BDBERN COc1ccc2c(c1)OC[C@@H]([N+](=O)[O-])C2 ZINC000090548464 175212200 /nfs/dbraw/zinc/21/22/00/175212200.db2.gz FGEAPNILGZGZED-QMMMGPOBSA-N 0 0 209.201 1.275 10 5 BDBERN C[C@@H](c1ccco1)n1ncc([N+](=O)[O-])c1N ZINC000043669634 176033188 /nfs/dbraw/zinc/03/31/88/176033188.db2.gz HPBPBMWXBRPROK-LURJTMIESA-N 0 0 222.204 1.576 10 5 BDBERN C[C@@H](Oc1ccc([N+](=O)[O-])c(F)c1)[C@H](C)O ZINC000087139160 177005597 /nfs/dbraw/zinc/00/55/97/177005597.db2.gz TVUDMGKTRMQTDF-NKWVEPMBSA-N 0 0 229.207 1.882 10 5 BDBERN C[C@H](c1ccc([N+](=O)[O-])cc1)n1nccc1N ZINC000019689137 177035426 /nfs/dbraw/zinc/03/54/26/177035426.db2.gz QAZQIEWJORJFIP-MRVPVSSYSA-N 0 0 232.243 1.983 10 5 BDBERN Cc1c([N+](=O)[O-])cccc1-n1cc(CCO)nn1 ZINC000052221019 177553342 /nfs/dbraw/zinc/55/33/42/177553342.db2.gz IIQLDQYTUYMXQC-UHFFFAOYSA-N 0 0 248.242 1.019 10 5 BDBERN O=[N+]([O-])c1ccc(-n2cncn2)c(Cl)c1 ZINC000111552181 323161478 /nfs/dbraw/zinc/16/14/78/323161478.db2.gz OLZCZHOPNAVSFO-UHFFFAOYSA-N 0 0 224.607 1.829 10 5 BDBERN CC(=O)c1ccc(NC#N)c([N+](=O)[O-])c1 ZINC000253565020 488025808 /nfs/dbraw/zinc/02/58/08/488025808.db2.gz HFJQHTSNKQIRQX-UHFFFAOYSA-N 0 0 205.173 1.690 10 5 BDBERN C[C@H](O)c1ccn(Cc2ccccc2[N+](=O)[O-])n1 ZINC000133755544 591852380 /nfs/dbraw/zinc/85/23/80/591852380.db2.gz IQBBYCCYVLFQAJ-VIFPVBQESA-N 0 0 247.254 1.893 10 5 BDBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)[C@H](C)O ZINC000340872550 636098624 /nfs/dbraw/zinc/09/86/24/636098624.db2.gz IUGRPYNATUMUNV-BQBZGAKWSA-N 0 0 242.279 1.301 10 5 BDBERN C[C@H]1CN(Cn2nccc2[N+](=O)[O-])CCS1 ZINC000171605230 640995471 /nfs/dbraw/zinc/99/54/71/640995471.db2.gz VNKNDTZACYHBCD-QMMMGPOBSA-N 0 0 242.304 1.186 10 5 BDBERN C[C@@H]1C[C@H](O)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000705346608 712129335 /nfs/dbraw/zinc/12/93/35/712129335.db2.gz SXMUFBXJGYUIKG-BXKDBHETSA-N 0 0 236.271 1.944 10 5 BDBERN O=C1c2c(cccc2[N+](=O)[O-])CN1C1CC1 ZINC000685958319 538905488 /nfs/dbraw/zinc/90/54/88/538905488.db2.gz GEKHSEORWSJUPD-UHFFFAOYSA-N 0 0 218.212 1.713 10 5 BDBERN Cn1cc(C(F)(F)F)cc([N+](=O)[O-])c1=O ZINC000146043392 342765263 /nfs/dbraw/zinc/76/52/63/342765263.db2.gz LRFGYPRRMGVYNG-UHFFFAOYSA-N 0 0 222.122 1.312 10 5 BDBERN Cc1ccc([C@H](C)S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000050350604 539010920 /nfs/dbraw/zinc/01/09/20/539010920.db2.gz UVZSHCLHYGXXJQ-ZETCQYMHSA-N 0 0 244.272 1.253 10 5 BDBERN CCOc1cc(CO)c([N+](=O)[O-])cc1OC ZINC000309170694 342899321 /nfs/dbraw/zinc/89/93/21/342899321.db2.gz OJRIXGQNTUSQLE-UHFFFAOYSA-N 0 0 227.216 1.494 10 5 BDBERN O=Cc1nccc(OC(F)(F)F)c1[N+](=O)[O-] ZINC000309234504 342920394 /nfs/dbraw/zinc/92/03/94/342920394.db2.gz AKYPNWXCKFRBJI-UHFFFAOYSA-N 0 0 236.105 1.701 10 5 BDBERN COC(=O)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000139744694 343067525 /nfs/dbraw/zinc/06/75/25/343067525.db2.gz VXKMMODEJNGIRD-UHFFFAOYSA-N 0 0 225.200 1.319 10 5 BDBERN O=C1COC(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000584881973 343083164 /nfs/dbraw/zinc/08/31/64/343083164.db2.gz VAIUZUDIVVJQKZ-UHFFFAOYSA-N 0 0 236.183 1.074 10 5 BDBERN O=Cc1ncc([N+](=O)[O-])cc1OC(F)(F)F ZINC000309317257 343220940 /nfs/dbraw/zinc/22/09/40/343220940.db2.gz OCJZLCALACTZND-UHFFFAOYSA-N 0 0 236.105 1.701 10 5 BDBERN C[C@H]1OCC[C@H]1Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000310292066 343411822 /nfs/dbraw/zinc/41/18/22/343411822.db2.gz ZLPMXQSEKCVSEN-HTRCEHHLSA-N 0 0 238.247 1.161 10 5 BDBERN C[C@H]1OCC[C@@H]1Nc1cccnc1[N+](=O)[O-] ZINC000159006904 346959150 /nfs/dbraw/zinc/95/91/50/346959150.db2.gz LHWRWFCLYQLAQO-SFYZADRCSA-N 0 0 223.232 1.579 10 5 BDBERN O=[N+]([O-])c1ccccc1NCC1CC(O)C1 ZINC000084448824 344432043 /nfs/dbraw/zinc/43/20/43/344432043.db2.gz PPPMHINOWQTQAD-UHFFFAOYSA-N 0 0 222.244 1.778 10 5 BDBERN O=[N+]([O-])c1ccc(NCC2CC(O)C2)cn1 ZINC000084448863 344432207 /nfs/dbraw/zinc/43/22/07/344432207.db2.gz LLFAPLUBHBPUHX-UHFFFAOYSA-N 0 0 223.232 1.173 10 5 BDBERN O=[N+]([O-])c1cc(F)cnc1NC1CC(CO)C1 ZINC000601199500 344660276 /nfs/dbraw/zinc/66/02/76/344660276.db2.gz WESXEPULBZYMAD-UHFFFAOYSA-N 0 0 241.222 1.312 10 5 BDBERN CCOc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000231553583 344747449 /nfs/dbraw/zinc/74/74/49/344747449.db2.gz RKHZCGYIBIQASN-UHFFFAOYSA-N 0 0 235.199 1.230 10 5 BDBERN O=[N+]([O-])c1ccc(-c2nc(Cl)no2)o1 ZINC000158589113 344686786 /nfs/dbraw/zinc/68/67/86/344686786.db2.gz ZXYBQSYVKIAVID-UHFFFAOYSA-N 0 0 215.552 1.891 10 5 BDBERN O=[N+]([O-])c1c(Cl)ncnc1OC1CCC1 ZINC000050520419 344705629 /nfs/dbraw/zinc/70/56/29/344705629.db2.gz ULEGLZSOLLOJSQ-UHFFFAOYSA-N 0 0 229.623 1.970 10 5 BDBERN O=C1C[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)CN1 ZINC000114090983 537888849 /nfs/dbraw/zinc/88/88/49/537888849.db2.gz WPQYCFYWTLRFET-ZETCQYMHSA-N 0 0 240.646 1.852 10 5 BDBERN Cn1cnc([N+](=O)[O-])c1CN1CCC(C)(C)C1 ZINC000408310375 345112973 /nfs/dbraw/zinc/11/29/73/345112973.db2.gz RRWUJENLTPOHKJ-UHFFFAOYSA-N 0 0 238.291 1.560 10 5 BDBERN O=[N+]([O-])c1ccccc1N1COCCOC1 ZINC000220345136 345861200 /nfs/dbraw/zinc/86/12/00/345861200.db2.gz ONZYZJIUJGNPMU-UHFFFAOYSA-N 0 0 224.216 1.363 10 5 BDBERN C[C@@H](O)c1ccc([C@H](C)O)cc1[N+](=O)[O-] ZINC000143390596 345865683 /nfs/dbraw/zinc/86/56/83/345865683.db2.gz LKLZYVWHVHFVON-NKWVEPMBSA-N 0 0 211.217 1.701 10 5 BDBERN C[C@@H]1C[C@@H]1Nc1ncc(F)cc1[N+](=O)[O-] ZINC000401088034 346166139 /nfs/dbraw/zinc/16/61/39/346166139.db2.gz COTXFKDIKOOWLC-VDTYLAMSSA-N 0 0 211.196 1.949 10 5 BDBERN Cc1nsc(-c2ccc([N+](=O)[O-])nc2)n1 ZINC000669379519 537980142 /nfs/dbraw/zinc/98/01/42/537980142.db2.gz DSCHXIHXMBBVNN-UHFFFAOYSA-N 0 0 222.229 1.817 10 5 BDBERN CC(=O)c1c([N+](=O)[O-])cnn1[C@H]1CCCCO1 ZINC000224871543 348265130 /nfs/dbraw/zinc/26/51/30/348265130.db2.gz VUWXHAHTJLICRE-SECBINFHSA-N 0 0 239.231 1.693 10 5 BDBERN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCNC2=O)c1 ZINC000596310551 348504215 /nfs/dbraw/zinc/50/42/15/348504215.db2.gz GWRRQZDOQYFGQI-MRVPVSSYSA-N 0 0 235.243 1.204 10 5 BDBERN O=[N+]([O-])c1cccnc1NC1CC(CO)C1 ZINC000596570299 348577205 /nfs/dbraw/zinc/57/72/05/348577205.db2.gz XYFIZZVKWCUYOK-UHFFFAOYSA-N 0 0 223.232 1.173 10 5 BDBERN C[C@H](Nc1ccc([N+](=O)[O-])cc1)N1CCCC1=O ZINC000198964877 349049912 /nfs/dbraw/zinc/04/99/12/349049912.db2.gz AMNDNUNTIBCBHO-SECBINFHSA-N 0 0 249.270 1.975 10 5 BDBERN O=[N+]([O-])CC[C@H](O)c1ccc(F)c(F)c1 ZINC000199599179 349262551 /nfs/dbraw/zinc/26/25/51/349262551.db2.gz IIPKDNLHLXDNRT-VIFPVBQESA-N 0 0 217.171 1.665 10 5 BDBERN COP(=O)(OC)c1cccc([N+](=O)[O-])c1 ZINC000034566797 350471105 /nfs/dbraw/zinc/47/11/05/350471105.db2.gz YPMHHDNPXMZSFQ-UHFFFAOYSA-N 0 0 231.144 1.706 10 5 BDBERN C[C@@H]1C[C@@H]1Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000052292077 350980620 /nfs/dbraw/zinc/98/06/20/350980620.db2.gz JLAKSHIDFUDROJ-MUWHJKNJSA-N 0 0 235.243 1.514 10 5 BDBERN Cc1nn([C@H]2CCOC2)c(Cl)c1[N+](=O)[O-] ZINC000306806763 351059690 /nfs/dbraw/zinc/05/96/90/351059690.db2.gz KVRFZVVGFNPNMR-LURJTMIESA-N 0 0 231.639 1.715 10 5 BDBERN O=[N+]([O-])c1ccc(Cl)nc1N1CCC1 ZINC000306984984 351402465 /nfs/dbraw/zinc/40/24/65/351402465.db2.gz MUADOYYSGKNLFO-UHFFFAOYSA-N 0 0 213.624 1.853 10 5 BDBERN Cn1nc2c3cc([N+](=O)[O-])ccc3[nH]cc-2c1=O ZINC000026507525 180605561 /nfs/dbraw/zinc/60/55/61/180605561.db2.gz IJNDATAZFSMBJF-UHFFFAOYSA-N 0 0 244.210 1.323 10 5 BDBERN CN(C)C(=O)c1cccc([N+](=O)[O-])c1F ZINC000307181427 351572771 /nfs/dbraw/zinc/57/27/71/351572771.db2.gz MXRJFGJGAKVIJS-UHFFFAOYSA-N 0 0 212.180 1.436 10 5 BDBERN Cc1cnn(CCNc2cccnc2[N+](=O)[O-])c1 ZINC000223018080 353112092 /nfs/dbraw/zinc/11/20/92/353112092.db2.gz FKUABRLMKQFBCE-UHFFFAOYSA-N 0 0 247.258 1.607 10 5 BDBERN CC(=O)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000039310572 188291064 /nfs/dbraw/zinc/29/10/64/188291064.db2.gz JZAPHKVAZSZGNL-UHFFFAOYSA-N 0 0 205.173 1.674 10 5 BDBERN CNc1ncnc(NC(C)(C)C)c1[N+](=O)[O-] ZINC000040581531 188292484 /nfs/dbraw/zinc/29/24/84/188292484.db2.gz VDLZBEUIYQGYOC-UHFFFAOYSA-N 0 0 225.252 1.637 10 5 BDBERN O=Cc1cccc([N+](=O)[O-])c1OC1CC1 ZINC000095741509 188320186 /nfs/dbraw/zinc/32/01/86/188320186.db2.gz DMJYOGQMEUNFAK-UHFFFAOYSA-N 0 0 207.185 1.949 10 5 BDBERN CC(C)(Oc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000033433674 188359370 /nfs/dbraw/zinc/35/93/70/188359370.db2.gz XZFLYVLUMJQIHT-UHFFFAOYSA-N 0 0 224.216 1.238 10 5 BDBERN NC(=S)c1nc2ccc([N+](=O)[O-])cc2o1 ZINC000675057997 538481047 /nfs/dbraw/zinc/48/10/47/538481047.db2.gz PHBPEZILUHVTRY-UHFFFAOYSA-N 0 0 223.213 1.370 10 5 BDBERN Cn1nccc1-c1cccc([N+](=O)[O-])c1 ZINC000096111252 538614126 /nfs/dbraw/zinc/61/41/26/538614126.db2.gz GUMGZHMYXHXJTE-UHFFFAOYSA-N 0 0 203.201 1.995 10 5 BDBERN CC(=O)Nc1cc([N+](=O)[O-])cc(-n2cccn2)c1 ZINC000584608486 358269119 /nfs/dbraw/zinc/26/91/19/358269119.db2.gz ZBOKZDBXBYRUIE-UHFFFAOYSA-N 0 0 246.226 1.739 10 5 BDBERN O=[N+]([O-])/C(=C/c1ccc([N+](=O)[O-])cc1)CO ZINC000584609941 358271897 /nfs/dbraw/zinc/27/18/97/358271897.db2.gz WDIJCARYSVCIRC-WEVVVXLNSA-N 0 0 224.172 1.205 10 5 BDBERN Cc1c([N+](=O)[O-])cnn1Cc1ccncc1 ZINC000584648724 358303245 /nfs/dbraw/zinc/30/32/45/358303245.db2.gz MSHNYDQDGRTNNI-UHFFFAOYSA-N 0 0 218.216 1.543 10 5 BDBERN CN(C)C(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000584657703 358309551 /nfs/dbraw/zinc/30/95/51/358309551.db2.gz GJZXENFAGAGUBL-UHFFFAOYSA-N 0 0 222.244 1.616 10 5 BDBERN CC(=O)C(C(C)=O)[C@H](C[N+](=O)[O-])c1ccco1 ZINC000141734635 361100067 /nfs/dbraw/zinc/10/00/67/361100067.db2.gz NNPRUNPCDSRXQP-SECBINFHSA-N 0 0 239.227 1.434 10 5 BDBERN Cc1c(-c2c(N)cnn2C)cncc1[N+](=O)[O-] ZINC000725263705 541336752 /nfs/dbraw/zinc/33/67/52/541336752.db2.gz BCJOGHYPLKTYCH-UHFFFAOYSA-N 0 0 233.231 1.281 10 5 BDBERN COCCCNc1nc(OC)ccc1[N+](=O)[O-] ZINC000080223769 370737513 /nfs/dbraw/zinc/73/75/13/370737513.db2.gz CYKIMZNCUAMRSW-UHFFFAOYSA-N 0 0 241.247 1.447 10 5 BDBERN COC(=O)c1cc2c(cccc2[N+](=O)[O-])[nH]1 ZINC000149300656 368394869 /nfs/dbraw/zinc/39/48/69/368394869.db2.gz GHUSDSFVXGZVPC-UHFFFAOYSA-N 0 0 220.184 1.863 10 5 BDBERN Nc1nc2ccccc2c2cc(CO)cnc12 ZINC000115024743 368969099 /nfs/dbraw/zinc/96/90/99/368969099.db2.gz RTBWYLPHBFYGTP-UHFFFAOYSA-N 0 0 225.251 1.858 10 5 BDBERN Cc1cc(Br)c(NN)cc1[N+](=O)[O-] ZINC000162004415 371599630 /nfs/dbraw/zinc/59/96/30/371599630.db2.gz DPPAGXSLNBVQMD-UHFFFAOYSA-N 0 0 246.064 1.951 10 5 BDBERN Nc1ncc([N+](=O)[O-])c(F)c1Br ZINC000299890121 181798416 /nfs/dbraw/zinc/79/84/16/181798416.db2.gz UNJBLTYEDAJIRS-UHFFFAOYSA-N 0 0 236.000 1.474 10 5 BDBERN Nc1nn(-c2ccccc2)cc1[N+](=O)[O-] ZINC000090469387 181812431 /nfs/dbraw/zinc/81/24/31/181812431.db2.gz ICCAYUHTBCAHRW-UHFFFAOYSA-N 0 0 204.189 1.363 10 5 BDBERN Cn1cnc([N+](=O)[O-])c1N[C@H]1CCC[C@@H](O)C1 ZINC000603865801 371937561 /nfs/dbraw/zinc/93/75/61/371937561.db2.gz SDCACUOWKXYVSM-JGVFFNPUSA-N 0 0 240.263 1.044 10 5 BDBERN O=[N+]([O-])c1cccnc1N[C@@H]1CCC[C@H](O)C1 ZINC000603866289 371938078 /nfs/dbraw/zinc/93/80/78/371938078.db2.gz ZRKCBJSNWNVASM-BDAKNGLRSA-N 0 0 237.259 1.705 10 5 BDBERN O=C(Nc1ncc[nH]1)Nc1cccc([N+](=O)[O-])c1 ZINC000104109351 182372298 /nfs/dbraw/zinc/37/22/98/182372298.db2.gz BOWOKKMDNWDYHR-UHFFFAOYSA-N 0 0 247.214 1.962 10 5 BDBERN O=[N+]([O-])c1ccc(F)cc1N1CC[C@H](CO)C1 ZINC000052121687 182932843 /nfs/dbraw/zinc/93/28/43/182932843.db2.gz LILHGZSTHFWXIC-QMMMGPOBSA-N 0 0 240.234 1.553 10 5 BDBERN O=[N+]([O-])c1cccc(F)c1OC[C@@H]1CO1 ZINC000075880983 182947197 /nfs/dbraw/zinc/94/71/97/182947197.db2.gz LKUNUMVSCCUHOE-LURJTMIESA-N 0 0 213.164 1.512 10 5 BDBERN O=c1[nH]c2cc3ccccc3cc2[nH]c1=O ZINC000013761189 182973633 /nfs/dbraw/zinc/97/36/33/182973633.db2.gz KLBLIQLOPBRDNC-UHFFFAOYSA-N 0 0 212.208 1.370 10 5 BDBERN CCCNc1cc2c(cc1[N+](=O)[O-])CC(=O)N2 ZINC000035345358 169294339 /nfs/dbraw/zinc/29/43/39/169294339.db2.gz HRXNDRGQOCCIRW-UHFFFAOYSA-N 0 0 235.243 1.911 10 5 BDBERN COC(=O)CCCNc1ccc([N+](=O)[O-])nc1 ZINC000339957513 384068124 /nfs/dbraw/zinc/06/81/24/384068124.db2.gz VMXRIGLQEWEBNH-UHFFFAOYSA-N 0 0 239.231 1.355 10 5 BDBERN COCSc1cccc([N+](=O)[O-])n1 ZINC000039117551 384106618 /nfs/dbraw/zinc/10/66/18/384106618.db2.gz GHLBNTJEFNQGJR-UHFFFAOYSA-N 0 0 200.219 1.686 10 5 BDBERN CCC[C@@H](CCC(C)=NNC(N)=O)[N+](=O)[O-] ZINC000257354465 384268554 /nfs/dbraw/zinc/26/85/54/384268554.db2.gz XWQLHAHPXYWCBK-QMMMGPOBSA-N 0 0 230.268 1.256 10 5 BDBERN O=[N+]([O-])c1ccnc(I)c1 ZINC000149077221 384704434 /nfs/dbraw/zinc/70/44/34/384704434.db2.gz OKGBNUAMJSJMQJ-UHFFFAOYSA-N 0 0 249.995 1.594 10 5 BDBERN CC(C)(C)[C@H](O)Cn1cnc([N+](=O)[O-])c1 ZINC000290222929 385286418 /nfs/dbraw/zinc/28/64/18/385286418.db2.gz VHBCYEVSQCPOJG-SSDOTTSWSA-N 0 0 213.237 1.198 10 5 BDBERN COC(=O)c1noc2ccc([N+](=O)[O-])cc21 ZINC000299889409 385553764 /nfs/dbraw/zinc/55/37/64/385553764.db2.gz IWXRFVGPNRICLX-UHFFFAOYSA-N 0 0 222.156 1.523 10 5 BDBERN O=[N+]([O-])c1ccc(F)cc1NCCO ZINC000052119371 385698237 /nfs/dbraw/zinc/69/82/37/385698237.db2.gz TUKKRNLJQYQSCD-UHFFFAOYSA-N 0 0 200.169 1.138 10 5 BDBERN C[C@@H](O)CN(C)c1cc(F)ccc1[N+](=O)[O-] ZINC000052121673 385702886 /nfs/dbraw/zinc/70/28/86/385702886.db2.gz FHOJXOMHOSVBQY-SSDOTTSWSA-N 0 0 228.223 1.551 10 5 BDBERN CCC[C@@H]1C[C@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000267691975 386457086 /nfs/dbraw/zinc/45/70/86/386457086.db2.gz QQKDXXQYNSZKHO-RNFRBKRXSA-N 0 0 237.263 1.568 10 5 BDBERN CCC[C@H]1C[C@@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000267691973 386460508 /nfs/dbraw/zinc/46/05/08/386460508.db2.gz QQKDXXQYNSZKHO-BQBZGAKWSA-N 0 0 237.263 1.568 10 5 BDBERN O=[N+]([O-])c1cc(F)c(Cl)c(CO)c1 ZINC000575436396 387102942 /nfs/dbraw/zinc/10/29/42/387102942.db2.gz VCGUHWONAAQWFH-UHFFFAOYSA-N 0 0 205.572 1.880 10 5 BDBERN O=[N+]([O-])c1ccc(CO)c(OC(F)F)c1F ZINC000575661665 387112273 /nfs/dbraw/zinc/11/22/73/387112273.db2.gz SEFZWOJUWUCYBW-UHFFFAOYSA-N 0 0 237.133 1.828 10 5 BDBERN Cc1cc(C(N)=O)cc(OC(F)F)c1[N+](=O)[O-] ZINC000575665435 387313096 /nfs/dbraw/zinc/31/30/96/387313096.db2.gz DQHRXRMWKFHDDJ-UHFFFAOYSA-N 0 0 246.169 1.604 10 5 BDBERN Cc1cc(CO)c(OC(F)F)cc1[N+](=O)[O-] ZINC000575665478 387314111 /nfs/dbraw/zinc/31/41/11/387314111.db2.gz FCZXNRPLQZCHTO-UHFFFAOYSA-N 0 0 233.170 1.997 10 5 BDBERN Cc1ccc(CO)c(OC(F)F)c1[N+](=O)[O-] ZINC000575666609 387319981 /nfs/dbraw/zinc/31/99/81/387319981.db2.gz JTKNQUDOFYMEAG-UHFFFAOYSA-N 0 0 233.170 1.997 10 5 BDBERN O=C1NC[C@@H](c2ccc([N+](=O)[O-])cc2)O1 ZINC000075456243 387353242 /nfs/dbraw/zinc/35/32/42/387353242.db2.gz CTFTUSRDHUBLDW-QMMMGPOBSA-N 0 0 208.173 1.376 10 5 BDBERN CCOC(=O)c1ccc([N+](=O)[O-])c(OC)c1N ZINC000575724340 387436569 /nfs/dbraw/zinc/43/65/69/387436569.db2.gz BNPRDXGHXNTZGB-UHFFFAOYSA-N 0 0 240.215 1.362 10 5 BDBERN CCOC(=O)c1cc(OC)cc([N+](=O)[O-])c1N ZINC000575724527 387437472 /nfs/dbraw/zinc/43/74/72/387437472.db2.gz HEVWPHIGWGJFSY-UHFFFAOYSA-N 0 0 240.215 1.362 10 5 BDBERN CCOC(=O)c1cc(N)c(OC)cc1[N+](=O)[O-] ZINC000575724369 387438219 /nfs/dbraw/zinc/43/82/19/387438219.db2.gz CZFPXZPLDQSCFA-UHFFFAOYSA-N 0 0 240.215 1.362 10 5 BDBERN CCOC(=O)c1ccc([N+](=O)[O-])c(N)c1O ZINC000575724357 387438536 /nfs/dbraw/zinc/43/85/36/387438536.db2.gz CNYBDYWJTNUENV-UHFFFAOYSA-N 0 0 226.188 1.059 10 5 BDBERN CCOc1cc(OCC)c(N)c([N+](=O)[O-])c1 ZINC000575721230 387442498 /nfs/dbraw/zinc/44/24/98/387442498.db2.gz FRVGHLKMNWEGQX-UHFFFAOYSA-N 0 0 226.232 1.974 10 5 BDBERN COc1cc(N)c(OC(F)F)c([N+](=O)[O-])c1 ZINC000575720704 387443451 /nfs/dbraw/zinc/44/34/51/387443451.db2.gz CAEIBDXVPCJOID-UHFFFAOYSA-N 0 0 234.158 1.787 10 5 BDBERN COc1c(OC(F)F)ccc(N)c1[N+](=O)[O-] ZINC000575721397 387443597 /nfs/dbraw/zinc/44/35/97/387443597.db2.gz NRVDJNDIVYKCDA-UHFFFAOYSA-N 0 0 234.158 1.787 10 5 BDBERN CCOc1cc(OC)c([N+](=O)[O-])cc1CO ZINC000575698100 387392558 /nfs/dbraw/zinc/39/25/58/387392558.db2.gz BGTNLQAHINSXFY-UHFFFAOYSA-N 0 0 227.216 1.494 10 5 BDBERN CCOc1cc([N+](=O)[O-])cc(C=O)c1F ZINC000575697628 387394708 /nfs/dbraw/zinc/39/47/08/387394708.db2.gz YUXXIYBSTJRYSZ-UHFFFAOYSA-N 0 0 213.164 1.945 10 5 BDBERN CCOc1cc([N+](=O)[O-])c(C)cc1C(N)=O ZINC000575698698 387398280 /nfs/dbraw/zinc/39/82/80/387398280.db2.gz FIFWOGOUOHUJLG-UHFFFAOYSA-N 0 0 224.216 1.401 10 5 BDBERN CCOc1cc(C)c(CO)c([N+](=O)[O-])c1 ZINC000575698672 387398908 /nfs/dbraw/zinc/39/89/08/387398908.db2.gz CWBVJBIXTKLXQZ-UHFFFAOYSA-N 0 0 211.217 1.794 10 5 BDBERN CSc1cc([N+](=O)[O-])c(CO)cc1F ZINC000575710131 387415683 /nfs/dbraw/zinc/41/56/83/387415683.db2.gz PYOYDGFFHRDMPG-UHFFFAOYSA-N 0 0 217.221 1.948 10 5 BDBERN COC(=O)c1cc([N+](=O)[O-])cc(OC)c1F ZINC000575713960 387418701 /nfs/dbraw/zinc/41/87/01/387418701.db2.gz ASUQVZWAYNYVKB-UHFFFAOYSA-N 0 0 229.163 1.529 10 5 BDBERN CCOC(=O)Cc1c(F)cc(N)cc1[N+](=O)[O-] ZINC000575725234 387461168 /nfs/dbraw/zinc/46/11/68/387461168.db2.gz VTAIDMISCDUAGK-UHFFFAOYSA-N 0 0 242.206 1.422 10 5 BDBERN O=c1c2ccccc2nc2ccc(F)cn21 ZINC000584640872 387507046 /nfs/dbraw/zinc/50/70/46/387507046.db2.gz GWPWPMPKSCYUFB-UHFFFAOYSA-N 0 0 214.199 1.987 10 5 BDBERN O=c1[nH]c(=O)c2cc([N+](=O)[O-])cc(Cl)c2[nH]1 ZINC000584640897 387507087 /nfs/dbraw/zinc/50/70/87/387507087.db2.gz LQAZVSGVMJUCLF-UHFFFAOYSA-N 0 0 241.590 1.603 10 5 BDBERN COC(=O)c1cc(N)c(Cl)cc1[N+](=O)[O-] ZINC000575726115 387463198 /nfs/dbraw/zinc/46/31/98/387463198.db2.gz MVCWQIBZQCBGTA-UHFFFAOYSA-N 0 0 230.607 1.617 10 5 BDBERN CCOC(=O)Cc1cc(N)c(C)c([N+](=O)[O-])c1 ZINC000575726376 387463325 /nfs/dbraw/zinc/46/33/25/387463325.db2.gz OPUHPBYQPKHRLI-UHFFFAOYSA-N 0 0 238.243 1.591 10 5 BDBERN CCOC(=O)Cc1cc(C)cc(N)c1[N+](=O)[O-] ZINC000575727637 387463677 /nfs/dbraw/zinc/46/36/77/387463677.db2.gz YDLIXKBWOANRCF-UHFFFAOYSA-N 0 0 238.243 1.591 10 5 BDBERN CCOC(=O)c1c(N)ccc(O)c1[N+](=O)[O-] ZINC000575726073 387464176 /nfs/dbraw/zinc/46/41/76/387464176.db2.gz YWWSOXRBWNTOMJ-UHFFFAOYSA-N 0 0 226.188 1.059 10 5 BDBERN COC(=O)Cc1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000575728790 387467126 /nfs/dbraw/zinc/46/71/26/387467126.db2.gz INDNFOGCKJUGFO-UHFFFAOYSA-N 0 0 244.634 1.546 10 5 BDBERN Nc1ccnc([N+](=O)[O-])c1Br ZINC000306348224 387594855 /nfs/dbraw/zinc/59/48/55/387594855.db2.gz HGDNWLPBQRYCJQ-UHFFFAOYSA-N 0 0 218.010 1.335 10 5 BDBERN C[C@@H](O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000253577936 388615998 /nfs/dbraw/zinc/61/59/98/388615998.db2.gz XRHBSNBTYVXXQY-ZCFIWIBFSA-N 0 0 245.256 1.052 10 5 BDBERN CCOc1ncc([N+](=O)[O-])c(=S)[nH]1 ZINC000095932865 388792527 /nfs/dbraw/zinc/79/25/27/388792527.db2.gz DJFPLFQRPLTBFR-UHFFFAOYSA-N 0 0 201.207 1.072 10 5 BDBERN O=[N+]([O-])c1ccc2oc(N3CC[C@H](O)C3)nc2c1 ZINC000095077771 388758498 /nfs/dbraw/zinc/75/84/98/388758498.db2.gz NAYLNNUXESRIIZ-QMMMGPOBSA-N 0 0 249.226 1.307 10 5 BDBERN Nc1nccc(-c2ccc([N+](=O)[O-])s2)n1 ZINC000095935479 388789819 /nfs/dbraw/zinc/78/98/19/388789819.db2.gz RPGPNYPYBUYNTJ-UHFFFAOYSA-N 0 0 222.229 1.696 10 5 BDBERN CC1CCN(c2nc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000040612973 132348102 /nfs/dbraw/zinc/34/81/02/132348102.db2.gz FQQFVRJFWWHHJJ-UHFFFAOYSA-N 0 0 238.247 1.327 10 5 BDBERN C[C@H](O)CCNc1cc(F)ccc1[N+](=O)[O-] ZINC000082997690 135442965 /nfs/dbraw/zinc/44/29/65/135442965.db2.gz FGFJHYJPYIWSIO-ZETCQYMHSA-N 0 0 228.223 1.917 10 5 BDBERN CCN(CC)c1c([N+](=O)[O-])cncc1[N+](=O)[O-] ZINC000035569867 169802626 /nfs/dbraw/zinc/80/26/26/169802626.db2.gz AHPIGBFMVWMRGM-UHFFFAOYSA-N 0 0 240.219 1.744 10 5 BDBERN CCNc1ccc([N+](=O)[O-])c(C(=O)NC)c1 ZINC000048553046 170174247 /nfs/dbraw/zinc/17/42/47/170174247.db2.gz FCSMLRARJUFBDJ-UHFFFAOYSA-N 0 0 223.232 1.386 10 5 BDBERN CCOC(=O)c1sc(SC)nc1[N+](=O)[O-] ZINC000095761162 170310901 /nfs/dbraw/zinc/31/09/01/170310901.db2.gz SMAHNOWKBNDHQF-UHFFFAOYSA-N 0 0 248.285 1.950 10 5 BDBERN CN1CC[C@@H](C(C)(C)[N+](=O)[O-])CC1=S ZINC000034566340 173110862 /nfs/dbraw/zinc/11/08/62/173110862.db2.gz PGPOMPLLMKRQPT-SSDOTTSWSA-N 0 0 216.306 1.711 10 5 BDBERN CNC(=O)c1cc(NC)c(F)cc1[N+](=O)[O-] ZINC000050725837 173310040 /nfs/dbraw/zinc/31/00/40/173310040.db2.gz RPKNVRBNCNJCFV-UHFFFAOYSA-N 0 0 227.195 1.135 10 5 BDBERN CNCc1noc(-c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000051848568 173398825 /nfs/dbraw/zinc/39/88/25/173398825.db2.gz QTDBFJSEQDZUSQ-UHFFFAOYSA-N 0 0 248.242 1.673 10 5 BDBERN CNCc1noc(-c2cccc(C)c2[N+](=O)[O-])n1 ZINC000051848570 173399376 /nfs/dbraw/zinc/39/93/76/173399376.db2.gz JTGUMBGWHFGHTP-UHFFFAOYSA-N 0 0 248.242 1.673 10 5 BDBERN CNCc1noc(-c2ccc([N+](=O)[O-])cc2C)n1 ZINC000051848818 173399944 /nfs/dbraw/zinc/39/99/44/173399944.db2.gz PXIHPGJUNYRTQB-UHFFFAOYSA-N 0 0 248.242 1.673 10 5 BDBERN COC(=O)[C@H](C)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000061700713 173788466 /nfs/dbraw/zinc/78/84/66/173788466.db2.gz YQKOSLSSLALVNN-QMMMGPOBSA-N 0 0 238.243 1.877 10 5 BDBERN COc1ccc([N+](=O)[O-])cc1NCc1c[nH]cn1 ZINC000054764669 175200908 /nfs/dbraw/zinc/20/09/08/175200908.db2.gz NZJKEMWFGOAMGS-UHFFFAOYSA-N 0 0 248.242 1.939 10 5 BDBERN COc1nc(Cl)c(C)cc1[N+](=O)[O-] ZINC000299889731 175391594 /nfs/dbraw/zinc/39/15/94/175391594.db2.gz NXUBYBOIURHPJO-UHFFFAOYSA-N 0 0 202.597 1.960 10 5 BDBERN COc1ncc([N+](=O)[O-])cc1OC1CC1 ZINC000095731305 175401154 /nfs/dbraw/zinc/40/11/54/175401154.db2.gz AQHPKWXJEMNLFP-UHFFFAOYSA-N 0 0 210.189 1.540 10 5 BDBERN C[C@@H](Oc1cccc([N+](=O)[O-])c1)[C@H](C)O ZINC000087138901 177005861 /nfs/dbraw/zinc/00/58/61/177005861.db2.gz FPEWRURATVMBND-JGVFFNPUSA-N 0 0 211.217 1.743 10 5 BDBERN C[C@H]1C[C@H]1Nc1cc(CO)ccc1[N+](=O)[O-] ZINC000302039888 177386246 /nfs/dbraw/zinc/38/62/46/177386246.db2.gz NGTWCBCBPONJBH-IONNQARKSA-N 0 0 222.244 1.907 10 5 BDBERN C[C@@H](O)c1cc([N+](=O)[O-])cc2nc[nH]c21 ZINC000575442100 487683638 /nfs/dbraw/zinc/68/36/38/487683638.db2.gz HOKRYFXUZCDCQX-RXMQYKEDSA-N 0 0 207.189 1.524 10 5 BDBERN O=C1C[C@@]2(CCOC2)Oc2ccc([N+](=O)[O-])cc21 ZINC000536956365 323967164 /nfs/dbraw/zinc/96/71/64/323967164.db2.gz YQEOEQYKDZNPRG-GFCCVEGCSA-N 0 0 249.222 1.719 10 5 BDBERN O=[N+]([O-])c1cccc([C@H]2CC[C@@H](CO)OC2)c1 ZINC000536958660 323970481 /nfs/dbraw/zinc/97/04/81/323970481.db2.gz RNVKFVYJLBCUDD-JQWIXIFHSA-N 0 0 237.255 1.850 10 5 BDBERN Cc1c([N+](=O)[O-])cc(NO)cc1[N+](=O)[O-] ZINC000002570874 560188153 /nfs/dbraw/zinc/18/81/53/560188153.db2.gz HTTDEAQRSCMCQS-UHFFFAOYSA-N 0 0 213.149 1.613 10 5 in-vitro BDBERN C[C@@H](O)c1ccn(Cc2ccccc2[N+](=O)[O-])n1 ZINC000133755748 591852548 /nfs/dbraw/zinc/85/25/48/591852548.db2.gz IQBBYCCYVLFQAJ-SECBINFHSA-N 0 0 247.254 1.893 10 5 BDBERN COCC1CC(Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000713929965 712473899 /nfs/dbraw/zinc/47/38/99/712473899.db2.gz FKDXMYCMJVPJTD-UHFFFAOYSA-N 0 0 237.259 1.827 10 5 BDBERN Cc1ccc(NC2CC(C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000716681354 712570015 /nfs/dbraw/zinc/57/00/15/712570015.db2.gz APAWFQURZKWMDK-UHFFFAOYSA-N 0 0 249.270 1.579 10 5 BDBERN COC(=O)c1cc([N+](=O)[O-])cc2c1NCC2 ZINC000043220673 342791250 /nfs/dbraw/zinc/79/12/50/342791250.db2.gz FHRZSJLQVZILQG-UHFFFAOYSA-N 0 0 222.200 1.349 10 5 BDBERN O=[N+]([O-])c1ccc(F)cc1N1CC[C@H](O)C1 ZINC000061707596 398343672 /nfs/dbraw/zinc/34/36/72/398343672.db2.gz LBSZBPUYGDQRQT-QMMMGPOBSA-N 0 0 226.207 1.305 10 5 BDBERN Cc1cnc(-c2ccc([N+](=O)[O-])nc2)c(=O)[nH]1 ZINC000584880696 343081097 /nfs/dbraw/zinc/08/10/97/343081097.db2.gz LULGYOGKAQDKQT-UHFFFAOYSA-N 0 0 232.199 1.049 10 5 BDBERN Cc1sc2cc([N+](=O)[O-])ccc2[n+]1[O-] ZINC000045237915 343527073 /nfs/dbraw/zinc/52/70/73/343527073.db2.gz NBHFMQVITJIHMF-UHFFFAOYSA-N 0 0 210.214 1.751 10 5 BDBERN O=[N+]([O-])c1ccc(CO)nc1OC(F)(F)F ZINC000309180029 346977501 /nfs/dbraw/zinc/97/75/01/346977501.db2.gz CBXGTDNDOWUBGV-UHFFFAOYSA-N 0 0 238.121 1.381 10 5 BDBERN Cc1cc(-c2cccc([N+](=O)[O-])c2)nc(N)n1 ZINC000038918207 343908806 /nfs/dbraw/zinc/90/88/06/343908806.db2.gz QTDHQKONBXQHTJ-UHFFFAOYSA-N 0 0 230.227 1.942 10 5 BDBERN Nc1ncc([N+](=O)[O-])c(NCc2ccccc2)n1 ZINC000220320829 344224398 /nfs/dbraw/zinc/22/43/98/344224398.db2.gz UKZHNXUKPQICKH-UHFFFAOYSA-N 0 0 245.242 1.579 10 5 BDBERN CC1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000408308574 344478798 /nfs/dbraw/zinc/47/87/98/344478798.db2.gz KCJVFADPMYZQOF-UHFFFAOYSA-N 0 0 238.291 1.560 10 5 BDBERN O=[N+]([O-])c1c(Cl)ncnc1NC1CC1 ZINC000050454836 344693185 /nfs/dbraw/zinc/69/31/85/344693185.db2.gz OKLFFARCMLXNBU-UHFFFAOYSA-N 0 0 214.612 1.613 10 5 BDBERN C[C@@H]1C[C@H](O)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000601213848 344703304 /nfs/dbraw/zinc/70/33/04/344703304.db2.gz KRKNJTDWZZETSH-PSASIEDQSA-N 0 0 237.259 1.339 10 5 BDBERN CCOc1cc([N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000039099933 344847085 /nfs/dbraw/zinc/84/70/85/344847085.db2.gz HYQXQXJWUMOPKU-UHFFFAOYSA-N 0 0 212.161 1.902 10 5 BDBERN O=c1[nH]c(C2CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000013998008 362823599 /nfs/dbraw/zinc/82/35/99/362823599.db2.gz GHBTVJUQSNOAET-UHFFFAOYSA-N 0 0 231.211 1.709 10 5 BDBERN O=Cc1cc2ncccc2cc1[N+](=O)[O-] ZINC000149897091 347551112 /nfs/dbraw/zinc/55/11/12/347551112.db2.gz BPRYRNTVPQZAEE-UHFFFAOYSA-N 0 0 202.169 1.956 10 5 BDBERN O=[N+]([O-])C1=CNC=C([N+](=O)[O-])C1c1ccccc1 ZINC000196677742 347981372 /nfs/dbraw/zinc/98/13/72/347981372.db2.gz FVHLOMKIDBJSKJ-UHFFFAOYSA-N 0 0 247.210 1.610 10 5 BDBERN C[C@@H]1OCC[C@@H]1Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596179680 348455308 /nfs/dbraw/zinc/45/53/08/348455308.db2.gz OIEJTGPIXHGWDD-BQBZGAKWSA-N 0 0 239.231 1.285 10 5 BDBERN CN1C[C@H](CNc2ccccc2[N+](=O)[O-])CC1=O ZINC000596489132 348559798 /nfs/dbraw/zinc/55/97/98/348559798.db2.gz CHTSDWAZVUUUCO-VIFPVBQESA-N 0 0 249.270 1.485 10 5 BDBERN O=Cc1nc(-n2cc([N+](=O)[O-])cn2)cs1 ZINC000725253709 538038806 /nfs/dbraw/zinc/03/88/06/538038806.db2.gz VZRMUPZENSPVSA-UHFFFAOYSA-N 0 0 224.201 1.050 10 5 BDBERN C[C@H](CNc1ccc([N+](=O)[O-])cn1)[S@@](C)=O ZINC000159856298 351017802 /nfs/dbraw/zinc/01/78/02/351017802.db2.gz OUMMTOBYFXOUPU-QZTNRIJFSA-N 0 0 243.288 1.169 10 5 BDBERN Cc1cc([N+](=O)[O-])cc(Cl)c1C(N)=O ZINC000306784512 351035459 /nfs/dbraw/zinc/03/54/59/351035459.db2.gz MLWBPBDYAMIASG-UHFFFAOYSA-N 0 0 214.608 1.656 10 5 BDBERN CN(C)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000307092939 351473302 /nfs/dbraw/zinc/47/33/02/351473302.db2.gz ZNFKNHURYAKAKJ-UHFFFAOYSA-N 0 0 202.160 1.939 10 5 BDBERN CCc1nc2ccc([N+](=O)[O-])cc2cc1NN ZINC000725268426 538100409 /nfs/dbraw/zinc/10/04/09/538100409.db2.gz QMSRSZROOFHMPD-UHFFFAOYSA-N 0 0 232.243 1.991 10 5 BDBERN NC(=S)c1ccc([N+](=O)[O-])cc1F ZINC000083343323 187665116 /nfs/dbraw/zinc/66/51/16/187665116.db2.gz ZPLJMUBFSMISAS-UHFFFAOYSA-N 0 0 200.194 1.368 10 5 BDBERN Cc1c(C(N)=O)cc(Cl)cc1[N+](=O)[O-] ZINC000307636164 352723848 /nfs/dbraw/zinc/72/38/48/352723848.db2.gz UFNUTCXMGHLJDR-UHFFFAOYSA-N 0 0 214.608 1.656 10 5 BDBERN C/C=C(\C)C(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C ZINC000012495938 188279080 /nfs/dbraw/zinc/27/90/80/188279080.db2.gz WURBQCVBQNMUQT-OLKPEBQYSA-O 0 0 244.311 1.045 10 5 endogenous,in-man BDBERN CC(C)(C)[C@@H]1CC[C@H](O)[C@@H]([N+](=O)[O-])C1 ZINC000226450014 188357442 /nfs/dbraw/zinc/35/74/42/188357442.db2.gz YHCCFCYGFIBQNN-VGMNWLOBSA-N 0 0 201.266 1.839 10 5 BDBERN O=[N+]([O-])c1ccc([C@@H]2CC[C@H](CO)OC2)cc1 ZINC000675058554 538482163 /nfs/dbraw/zinc/48/21/63/538482163.db2.gz LNCYLNPAYLRAHN-ZYHUDNBSSA-N 0 0 237.255 1.850 10 5 BDBERN O=[N+]([O-])c1ccc([C@@H]2CC[C@@H](CO)OC2)cc1 ZINC000675058553 538482481 /nfs/dbraw/zinc/48/24/81/538482481.db2.gz LNCYLNPAYLRAHN-PWSUYJOCSA-N 0 0 237.255 1.850 10 5 BDBERN O=[N+]([O-])c1ccccc1[C@@H]1CO[C@H](CO)C1 ZINC000675060132 538486128 /nfs/dbraw/zinc/48/61/28/538486128.db2.gz BIBCJADOERSLBC-IUCAKERBSA-N 0 0 223.228 1.460 10 5 BDBERN O=[N+]([O-])c1ccc(NC[C@H]2CCC[C@H]2O)cn1 ZINC000089167698 357035308 /nfs/dbraw/zinc/03/53/08/357035308.db2.gz TVWNQPAGHYYEJN-PSASIEDQSA-N 0 0 237.259 1.563 10 5 BDBERN CC(=O)N1CC=Cc2cc([N+](=O)[O-])ccc21 ZINC000584613774 358277899 /nfs/dbraw/zinc/27/78/99/358277899.db2.gz HQHOBKLOBKIRSR-UHFFFAOYSA-N 0 0 218.212 1.975 10 5 BDBERN O=[N+]([O-])c1ccc(CC2(F)CNC2)cc1 ZINC000584591753 358250240 /nfs/dbraw/zinc/25/02/40/358250240.db2.gz IFJLAFOKWIHUCV-UHFFFAOYSA-N 0 0 210.208 1.449 10 5 BDBERN [NH3+]C1(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000306208935 359301890 /nfs/dbraw/zinc/30/18/90/359301890.db2.gz SCGUHYMXQCRJTC-UHFFFAOYSA-N 0 0 213.624 1.591 10 5 BDBERN Nc1cc([N+](=O)[O-])cc(Br)n1 ZINC000306355225 359683283 /nfs/dbraw/zinc/68/32/83/359683283.db2.gz UMWVXKOYQVMRFB-UHFFFAOYSA-N 0 0 218.010 1.335 10 5 BDBERN O=[N+]([O-])c1ccc(OC(F)(F)F)cn1 ZINC000238535653 361142470 /nfs/dbraw/zinc/14/24/70/361142470.db2.gz TYHIOECLPCESAE-UHFFFAOYSA-N 0 0 208.095 1.888 10 5 BDBERN [NH3+][C@H](CF)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000238685120 361179000 /nfs/dbraw/zinc/17/90/00/361179000.db2.gz LDCVIIOBFGNWSG-ZCFIWIBFSA-N 0 0 200.169 1.270 10 5 BDBERN NC(=O)c1c[nH]c2c1cccc2[N+](=O)[O-] ZINC000079750764 368337571 /nfs/dbraw/zinc/33/75/71/368337571.db2.gz IYEKINQRUVHQPS-UHFFFAOYSA-N 0 0 205.173 1.175 10 5 BDBERN CCOC(=O)c1ccc([N+](=O)[O-])c(CO)c1 ZINC000206996598 368361444 /nfs/dbraw/zinc/36/14/44/368361444.db2.gz FUWBIXKMLYIVJC-UHFFFAOYSA-N 0 0 225.200 1.264 10 5 BDBERN Nc1c2n[nH]cc2cc(Cl)c1[N+](=O)[O-] ZINC000089200544 181670843 /nfs/dbraw/zinc/67/08/43/181670843.db2.gz TUKCIHQTJSXYGI-UHFFFAOYSA-N 0 0 212.596 1.707 10 5 BDBERN Nc1c([N+](=O)[O-])cnn1[C@H]1CCCSC1 ZINC000061589787 181672605 /nfs/dbraw/zinc/67/26/05/181672605.db2.gz XMNUUGBXFZRDMO-LURJTMIESA-N 0 0 228.277 1.442 10 5 BDBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC=CCN2)c1 ZINC000600137433 371644660 /nfs/dbraw/zinc/64/46/60/371644660.db2.gz OHJBOFBUNPMWHH-UHFFFAOYSA-N 0 0 247.254 1.420 10 5 BDBERN O=[N+]([O-])c1ccc(N[C@H]2CCC[C@H](O)C2)nc1 ZINC000603865710 371937649 /nfs/dbraw/zinc/93/76/49/371937649.db2.gz MROAMBDBOAZWOX-WPRPVWTQSA-N 0 0 237.259 1.705 10 5 BDBERN O=[N+]([O-])c1ccc2c(c1)NC[C@@H](CO)C2 ZINC000165398504 182941602 /nfs/dbraw/zinc/94/16/02/182941602.db2.gz BVAXZPNWTACQDT-ZETCQYMHSA-N 0 0 208.217 1.171 10 5 BDBERN CCCNc1ncnc(OCC)c1[N+](=O)[O-] ZINC000040597086 169296557 /nfs/dbraw/zinc/29/65/57/169296557.db2.gz RIKJFTHKOSVVGZ-UHFFFAOYSA-N 0 0 226.236 1.605 10 5 BDBERN Cc1ccc([N+](=O)[O-])c(SC[C@H](O)CO)c1 ZINC000084726723 384865930 /nfs/dbraw/zinc/86/59/30/384865930.db2.gz JLODKXFIKVMQJF-MRVPVSSYSA-N 0 0 243.284 1.349 10 5 BDBERN CCOC(=O)c1ccc([N+](=O)[O-])c(C)c1N ZINC000575726993 384915549 /nfs/dbraw/zinc/91/55/49/384915549.db2.gz RYLXVKAHTBSCGA-UHFFFAOYSA-N 0 0 224.216 1.662 10 5 BDBERN C[C@@H]1C[C@@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183580344 385672882 /nfs/dbraw/zinc/67/28/82/385672882.db2.gz KRHQKEGYRYSHEF-SVRRBLITSA-N 0 0 236.231 1.520 10 5 BDBERN O=[N+]([O-])c1ccc(SC[C@@H](O)CO)cc1 ZINC000086659907 386267718 /nfs/dbraw/zinc/26/77/18/386267718.db2.gz YRANHLUUEOCNJF-QMMMGPOBSA-N 0 0 229.257 1.040 10 5 BDBERN CCOC(=O)Cc1cccc(OC)c1[N+](=O)[O-] ZINC000575339141 386684463 /nfs/dbraw/zinc/68/44/63/386684463.db2.gz BVFOMDAMRRFAMF-UHFFFAOYSA-N 0 0 239.227 1.709 10 5 BDBERN CCOC(=O)Cc1cccc([N+](=O)[O-])c1OC ZINC000575339190 386686774 /nfs/dbraw/zinc/68/67/74/386686774.db2.gz PJPCRVOZSMDNKI-UHFFFAOYSA-N 0 0 239.227 1.709 10 5 BDBERN O=[N+]([O-])c1cc(OC(F)F)cc(F)c1CO ZINC000575661632 387113061 /nfs/dbraw/zinc/11/30/61/387113061.db2.gz QVLKQQASBPMBQS-UHFFFAOYSA-N 0 0 237.133 1.828 10 5 BDBERN Cc1ccc(OC(F)F)c(CO)c1[N+](=O)[O-] ZINC000575666361 387317187 /nfs/dbraw/zinc/31/71/87/387317187.db2.gz IJHVBWSNDVXEMH-UHFFFAOYSA-N 0 0 233.170 1.997 10 5 BDBERN O=Cc1cc(C(F)F)cc([N+](=O)[O-])c1CO ZINC000575669410 387329982 /nfs/dbraw/zinc/32/99/82/387329982.db2.gz UUASLUMBVJSUCW-UHFFFAOYSA-N 0 0 231.154 1.837 10 5 BDBERN CC(=O)c1c(OC(F)F)ccc(N)c1[N+](=O)[O-] ZINC000575716258 387431806 /nfs/dbraw/zinc/43/18/06/387431806.db2.gz BMSIDFDPGKZAOY-UHFFFAOYSA-N 0 0 246.169 1.981 10 5 BDBERN CCOC(=O)Cc1cc(F)cc([N+](=O)[O-])c1N ZINC000575724474 387438513 /nfs/dbraw/zinc/43/85/13/387438513.db2.gz JNVGTTOIPILVLP-UHFFFAOYSA-N 0 0 242.206 1.422 10 5 BDBERN CCOC(=O)c1ccc(N)c([N+](=O)[O-])c1OC ZINC000575724552 387438657 /nfs/dbraw/zinc/43/86/57/387438657.db2.gz ISASOBFCPFDSSB-UHFFFAOYSA-N 0 0 240.215 1.362 10 5 BDBERN CCOC(=O)Cc1cc(N)c([N+](=O)[O-])c(F)c1 ZINC000575725175 387461758 /nfs/dbraw/zinc/46/17/58/387461758.db2.gz UQSSADWZXYZZPD-UHFFFAOYSA-N 0 0 242.206 1.422 10 5 BDBERN COc1cc(Cl)c(N)cc1[N+](=O)[O-] ZINC000575719904 387440298 /nfs/dbraw/zinc/44/02/98/387440298.db2.gz BCQRKWDKIJWZRN-UHFFFAOYSA-N 0 0 202.597 1.839 10 5 BDBERN CCOc1cc(OC)cc([N+](=O)[O-])c1CO ZINC000575698242 387392810 /nfs/dbraw/zinc/39/28/10/387392810.db2.gz HIBBNFRAITZILF-UHFFFAOYSA-N 0 0 227.216 1.494 10 5 BDBERN CCOc1cc(OC)cc(C=O)c1[N+](=O)[O-] ZINC000575698334 387394628 /nfs/dbraw/zinc/39/46/28/387394628.db2.gz LGIIKCCBQNGKDB-UHFFFAOYSA-N 0 0 225.200 1.815 10 5 BDBERN CCOc1c(F)cc([N+](=O)[O-])cc1CO ZINC000575697680 387397734 /nfs/dbraw/zinc/39/77/34/387397734.db2.gz GNLBMKJYBXMNDB-UHFFFAOYSA-N 0 0 215.180 1.625 10 5 BDBERN CCOc1cc(C)cc([N+](=O)[O-])c1CO ZINC000575698893 387401744 /nfs/dbraw/zinc/40/17/44/387401744.db2.gz NIPOGGODJZLJIR-UHFFFAOYSA-N 0 0 211.217 1.794 10 5 BDBERN CSc1cc([N+](=O)[O-])c(F)cc1CO ZINC000575710819 387415378 /nfs/dbraw/zinc/41/53/78/387415378.db2.gz YZNSTEITNOAXJR-UHFFFAOYSA-N 0 0 217.221 1.948 10 5 BDBERN CSc1cc(CO)c(F)c([N+](=O)[O-])c1 ZINC000575710709 387415487 /nfs/dbraw/zinc/41/54/87/387415487.db2.gz UPFXXRDRCPDLTK-UHFFFAOYSA-N 0 0 217.221 1.948 10 5 BDBERN CCOC(=O)c1cc(N)cc(OC)c1[N+](=O)[O-] ZINC000575726148 387463203 /nfs/dbraw/zinc/46/32/03/387463203.db2.gz ZDFMBGOQIMAKPC-UHFFFAOYSA-N 0 0 240.215 1.362 10 5 BDBERN Nc1c(OC(F)(F)F)cc(O)cc1[N+](=O)[O-] ZINC000575727907 387465556 /nfs/dbraw/zinc/46/55/56/387465556.db2.gz KJHVONSGPRJNFT-UHFFFAOYSA-N 0 0 238.121 1.781 10 5 BDBERN COC(=O)c1cc([N+](=O)[O-])c(OC)cc1OC ZINC000035333528 387570636 /nfs/dbraw/zinc/57/06/36/387570636.db2.gz ONJIZDKAWTWERL-UHFFFAOYSA-N 0 0 241.199 1.399 10 5 BDBERN Cc1cc(C)c(N2C(=O)C=CC2=O)c([N+](=O)[O-])c1 ZINC000027788555 177864548 /nfs/dbraw/zinc/86/45/48/177864548.db2.gz CJJHFLKSIOIOTM-UHFFFAOYSA-N 0 0 246.222 1.641 10 5 BDBERN Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000226319289 388349338 /nfs/dbraw/zinc/34/93/38/388349338.db2.gz BDWLGFRWYXFJDT-UHFFFAOYSA-N 0 0 248.242 1.941 10 5 BDBERN C[C@@H]1O[C@@H]1COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003644597 388384871 /nfs/dbraw/zinc/38/48/71/388384871.db2.gz BPOPJHHLTDEVBN-OIBJUYFYSA-N 0 0 237.211 1.539 10 5 BDBERN CC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000253574661 388615950 /nfs/dbraw/zinc/61/59/50/388615950.db2.gz SXLYPAJNPBZRJJ-UHFFFAOYSA-N 0 0 243.240 1.201 10 5 BDBERN O=[N+]([O-])c1ccc2oc(N3CC(CO)C3)nc2c1 ZINC000095078735 388758358 /nfs/dbraw/zinc/75/83/58/388758358.db2.gz GFWYRKTUTLSNEH-UHFFFAOYSA-N 0 0 249.226 1.165 10 5 BDBERN COc1ccc(N)c(OC(F)F)c1[N+](=O)[O-] ZINC000575721568 398067402 /nfs/dbraw/zinc/06/74/02/398067402.db2.gz SHGCHPDJSHCQCZ-UHFFFAOYSA-N 0 0 234.158 1.787 10 5 BDBERN CCOC(=O)c1cc(N)c([N+](=O)[O-])cc1OC ZINC000575725730 398069014 /nfs/dbraw/zinc/06/90/14/398069014.db2.gz VCXHUFJBSUVABH-UHFFFAOYSA-N 0 0 240.215 1.362 10 5 BDBERN Cc1ccc2c(c1)[n+](=O)c1cc(O)ccc1n2O ZINC000584627434 398080367 /nfs/dbraw/zinc/08/03/67/398080367.db2.gz ZNHRXGKPOOVPEO-UHFFFAOYSA-O 0 0 243.242 1.960 10 5 BDBERN CC(C)OC(=O)c1c(N)c(F)ccc1[N+](=O)[O-] ZINC000037607025 167172834 /nfs/dbraw/zinc/17/28/34/167172834.db2.gz VELBYKRUYLTCEB-UHFFFAOYSA-N 0 0 242.206 1.881 10 5 BDBERN CCNC(=O)c1cc(NC)ccc1[N+](=O)[O-] ZINC000050725994 170100009 /nfs/dbraw/zinc/10/00/09/170100009.db2.gz URYWIULQCDMFAE-UHFFFAOYSA-N 0 0 223.232 1.386 10 5 BDBERN CCNc1ccc(Cn2cnc([N+](=O)[O-])n2)cn1 ZINC000050829595 170174185 /nfs/dbraw/zinc/17/41/85/170174185.db2.gz DXIIUEYHUWPUMR-UHFFFAOYSA-N 0 0 248.246 1.061 10 5 BDBERN CCOC(=O)CNc1ncc([N+](=O)[O-])cc1C ZINC000052812372 170227585 /nfs/dbraw/zinc/22/75/85/170227585.db2.gz APKIIRUJZNSYCY-UHFFFAOYSA-N 0 0 239.231 1.273 10 5 BDBERN CCOC(=O)c1nc2cccc(C)n2c1[N+](=O)[O-] ZINC000103201555 170307368 /nfs/dbraw/zinc/30/73/68/170307368.db2.gz FFMQAOQRIXQPLA-UHFFFAOYSA-N 0 0 249.226 1.728 10 5 BDBERN CCOC(=O)c1nc(OC)ccc1[N+](=O)[O-] ZINC000095931468 170307700 /nfs/dbraw/zinc/30/77/00/170307700.db2.gz VNKCPFVLFCQJCT-UHFFFAOYSA-N 0 0 226.188 1.175 10 5 BDBERN CN(C(=O)c1ccc(F)c([N+](=O)[O-])c1)C1CC1 ZINC000037286180 172340047 /nfs/dbraw/zinc/34/00/47/172340047.db2.gz OPFFVRKJOHIYQF-UHFFFAOYSA-N 0 0 238.218 1.968 10 5 BDBERN CNC(=O)CNc1c(F)c(F)ccc1[N+](=O)[O-] ZINC000053162985 173278774 /nfs/dbraw/zinc/27/87/74/173278774.db2.gz WAXCHKYTWFZHBV-UHFFFAOYSA-N 0 0 245.185 1.031 10 5 BDBERN CNc1ccc([N+](=O)[O-])c(C(=O)N(C)C)c1 ZINC000050723868 173480565 /nfs/dbraw/zinc/48/05/65/173480565.db2.gz CKJANNQTANSCCJ-UHFFFAOYSA-N 0 0 223.232 1.338 10 5 BDBERN CNc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000053750131 173484962 /nfs/dbraw/zinc/48/49/62/173484962.db2.gz IZZCVNBHWFPTJY-UHFFFAOYSA-N 0 0 220.188 1.687 10 5 BDBERN COC(=O)c1cn(C)c2c1cccc2[N+](=O)[O-] ZINC000299890431 173903943 /nfs/dbraw/zinc/90/39/43/173903943.db2.gz ZORAUOOBAQAKHV-UHFFFAOYSA-N 0 0 234.211 1.873 10 5 BDBERN COC(=O)c1scc([N+](=O)[O-])c1C ZINC000098178996 173923484 /nfs/dbraw/zinc/92/34/84/173923484.db2.gz LWBYLFNNHFIFMI-UHFFFAOYSA-N 0 0 201.203 1.751 10 5 BDBERN COCCCNc1cc([N+](=O)[O-])ccn1 ZINC000043567709 174251774 /nfs/dbraw/zinc/25/17/74/174251774.db2.gz ZCMCTWWGNSCAFG-UHFFFAOYSA-N 0 0 211.221 1.438 10 5 BDBERN COCCCOc1ccc(CO)cc1[N+](=O)[O-] ZINC000037753960 174256739 /nfs/dbraw/zinc/25/67/39/174256739.db2.gz UVPGWQSZEKECLQ-UHFFFAOYSA-N 0 0 241.243 1.502 10 5 BDBERN COc1ccc(CC[C@H](C)O)cc1[N+](=O)[O-] ZINC000043656735 175094128 /nfs/dbraw/zinc/09/41/28/175094128.db2.gz JVZNIKTXZICOTC-QMMMGPOBSA-N 0 0 225.244 1.917 10 5 BDBERN COc1ccc([N+](=O)[O-])cc1OCCCCO ZINC000035650270 175201210 /nfs/dbraw/zinc/20/12/10/175201210.db2.gz SQJSEELENPUFHD-UHFFFAOYSA-N 0 0 241.243 1.755 10 5 BDBERN C[C@@H](O)[C@@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000306423864 175992006 /nfs/dbraw/zinc/99/20/06/175992006.db2.gz BVKYQYOICYJHQK-RFZPGFLSSA-N 0 0 217.250 1.233 10 5 BDBERN C[C@H]1C[C@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000075513200 177385240 /nfs/dbraw/zinc/38/52/40/177385240.db2.gz CIJQJFLNVYRPHM-CAHLUQPWSA-N 0 0 226.257 1.795 10 5 BDBERN C[C@H]1NC(=O)CC[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000281591571 177393520 /nfs/dbraw/zinc/39/35/20/177393520.db2.gz HCSMUIGVWRWKEO-KCJUWKMLSA-N 0 0 249.270 1.674 10 5 BDBERN C[S@](=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000086863208 177497455 /nfs/dbraw/zinc/49/74/55/177497455.db2.gz QULKBWCZXKSONW-CYBMUJFWSA-N 0 0 219.649 1.986 10 5 BDBERN O=C1Nc2ccc([N+](=O)[O-])c(Cl)c2C1=O ZINC000139897925 592439018 /nfs/dbraw/zinc/43/90/18/592439018.db2.gz JDWYFNWNIHOIFN-UHFFFAOYSA-N 0 0 226.575 1.383 10 5 BDBERN O=c1oc2ccc([N+](=O)[O-])cc2cc1[N+](=O)[O-] ZINC000039235086 631999345 /nfs/dbraw/zinc/99/93/45/631999345.db2.gz IGEODTNNBLXDIU-UHFFFAOYSA-N 0 0 236.139 1.609 10 5 BDBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)[C@H](C)O ZINC000340872619 636098197 /nfs/dbraw/zinc/09/81/97/636098197.db2.gz IUGRPYNATUMUNV-RQJHMYQMSA-N 0 0 242.279 1.301 10 5 BDBERN Cc1cnc(N[C@@H](C)[C@H](C)O)c([N+](=O)[O-])c1 ZINC000336782668 635282053 /nfs/dbraw/zinc/28/20/53/635282053.db2.gz YKBSIHOKEDUJPX-YUMQZZPRSA-N 0 0 225.248 1.479 10 5 BDBERN C[C@@H](O)[C@H](C)Nc1ccc([N+](=O)[O-])c(N)c1F ZINC000343795826 636774991 /nfs/dbraw/zinc/77/49/91/636774991.db2.gz RPHUYOGWHCTFEU-NTSWFWBYSA-N 0 0 243.238 1.497 10 5 BDBERN C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@H](C)O ZINC000346395061 637105843 /nfs/dbraw/zinc/10/58/43/637105843.db2.gz WXQWQSDPDLGKNR-SFYZADRCSA-N 0 0 238.243 1.094 10 5 BDBERN O=[N+]([O-])c1c(F)cccc1N[C@H]1CNOC1 ZINC000722487524 711759526 /nfs/dbraw/zinc/75/95/26/711759526.db2.gz QCHCZOBDKJTCTP-LURJTMIESA-N 0 0 227.195 1.049 10 5 BDBERN C[C@H](Nc1ncccc1[N+](=O)[O-])c1cn(C)nn1 ZINC000720526370 712849325 /nfs/dbraw/zinc/84/93/25/712849325.db2.gz ZWYWBDLXBYQBLL-ZETCQYMHSA-N 0 0 248.246 1.291 10 5 BDBERN C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1cn(C)nn1 ZINC000720526333 712849361 /nfs/dbraw/zinc/84/93/61/712849361.db2.gz ZAUAMJOCPVHXNR-ZETCQYMHSA-N 0 0 248.246 1.291 10 5 BDBERN C[N@H+](CC(=O)[O-])Cc1ccc(F)cc1[N+](=O)[O-] ZINC000703192627 977159758 /nfs/dbraw/zinc/15/97/58/977159758.db2.gz NCVZXVJHZFFXCB-UHFFFAOYSA-N 0 0 242.206 1.250 10 5 BDBERN Cc1ccc(SC[C@H](O)CO)c([N+](=O)[O-])c1 ZINC000086659892 398146798 /nfs/dbraw/zinc/14/67/98/398146798.db2.gz RLFUGNDJMRRGAI-MRVPVSSYSA-N 0 0 243.284 1.349 10 5 BDBERN Cc1[nH]nc(N)c1-c1ccc([N+](=O)[O-])cc1 ZINC000019721812 538927532 /nfs/dbraw/zinc/92/75/32/538927532.db2.gz XXTJFROHGGDBOH-UHFFFAOYSA-N 0 0 218.216 1.876 10 5 BDBERN O=Cc1cc(N2CCC2)c([N+](=O)[O-])s1 ZINC000404289957 538954926 /nfs/dbraw/zinc/95/49/26/538954926.db2.gz AJEZKBRDUATJOU-UHFFFAOYSA-N 0 0 212.230 1.679 10 5 BDBERN O=[N+]([O-])c1ccc2c(c1)CS(=O)(=O)C2 ZINC000001734533 342711835 /nfs/dbraw/zinc/71/18/35/342711835.db2.gz OBINWPUAOZYNSI-UHFFFAOYSA-N 0 0 213.214 1.023 10 5 BDBERN C[S@@](=O)Cc1cc(F)cc([N+](=O)[O-])c1 ZINC000150248532 342798693 /nfs/dbraw/zinc/79/86/93/342798693.db2.gz YLWXIIDMXOCFNB-AWEZNQCLSA-N 0 0 217.221 1.612 10 5 BDBERN C[S@@](=N)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000150202812 342798850 /nfs/dbraw/zinc/79/88/50/342798850.db2.gz ZZTHEKJMJLEGOC-CQSZACIVSA-N 0 0 214.246 1.771 10 5 BDBERN CC(C)OC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000309159002 342898086 /nfs/dbraw/zinc/89/80/86/342898086.db2.gz XYOUJVIQUCRXEX-UHFFFAOYSA-N 0 0 225.200 1.866 10 5 BDBERN O=Cc1ccc(-c2ccc([N+](=O)[O-])nc2)cn1 ZINC000584880567 343081188 /nfs/dbraw/zinc/08/11/88/343081188.db2.gz GRWRFYTZVYPIIN-UHFFFAOYSA-N 0 0 229.195 1.864 10 5 BDBERN CC(C)N1Cc2ccc([N+](=O)[O-])cc2C1=O ZINC000248167753 537813583 /nfs/dbraw/zinc/81/35/83/537813583.db2.gz PMUPEDCJOGBSBZ-UHFFFAOYSA-N 0 0 220.228 1.959 10 5 BDBERN Cc1cc2cc([N+](=O)[O-])ccc2c(=O)[nH]1 ZINC000221284851 346985351 /nfs/dbraw/zinc/98/53/51/346985351.db2.gz JFUCNOQBVVYZNT-UHFFFAOYSA-N 0 0 204.185 1.745 10 5 BDBERN CCOC(=O)Cc1cc([N+](=O)[O-])ccc1F ZINC000215535142 344128647 /nfs/dbraw/zinc/12/86/47/344128647.db2.gz MAOIBXYYFIYPMO-UHFFFAOYSA-N 0 0 227.191 1.840 10 5 BDBERN Cc1cc(C(=O)c2cncn2C)ccc1[N+](=O)[O-] ZINC000217068247 344182571 /nfs/dbraw/zinc/18/25/71/344182571.db2.gz VNQYVTKJDSVXLU-UHFFFAOYSA-N 0 0 245.238 1.868 10 5 BDBERN O=CC[C@H](C[N+](=O)[O-])c1ccc(F)cc1 ZINC000145487486 344282265 /nfs/dbraw/zinc/28/22/65/344282265.db2.gz IKFPPLCXBPYKSW-SECBINFHSA-N 0 0 211.192 1.775 10 5 BDBERN CC[C@](C)(CCO)Nc1ncccc1[N+](=O)[O-] ZINC000230216194 344446567 /nfs/dbraw/zinc/44/65/67/344446567.db2.gz YQIBIBNDNCYHIZ-LLVKDONJSA-N 0 0 239.275 1.953 10 5 BDBERN O=[N+]([O-])c1cccnc1N[C@H]1CCC[C@H]1O ZINC000077993699 344828719 /nfs/dbraw/zinc/82/87/19/344828719.db2.gz SQGRXHNATPUAQG-IONNQARKSA-N 0 0 223.232 1.315 10 5 BDBERN O=[N+]([O-])c1ccc2sc(NCCO)nc2c1 ZINC000033606779 344867962 /nfs/dbraw/zinc/86/79/62/344867962.db2.gz ZIOCRCDLXZNNCB-UHFFFAOYSA-N 0 0 239.256 1.609 10 5 BDBERN CNS(=O)(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000669375551 537955679 /nfs/dbraw/zinc/95/56/79/537955679.db2.gz NCDWZZLYJCBQPX-ZETCQYMHSA-N 0 0 244.272 1.205 10 5 BDBERN CC[C@H]([C@@H](O)c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] ZINC000034456186 346285937 /nfs/dbraw/zinc/28/59/37/346285937.db2.gz CLUWWAKHEXKAIU-ZJUUUORDSA-N 0 0 240.215 1.684 10 5 BDBERN Cc1cccc2c([N+](=O)[O-])cc[n+]([O-])c12 ZINC000005782726 179213614 /nfs/dbraw/zinc/21/36/14/179213614.db2.gz QWHBQAQVJHCYHB-UHFFFAOYSA-N 0 0 204.185 1.690 10 5 BDBERN CCOC(=O)[C@@H](Cc1ccc(C)cc1)[N+](=O)[O-] ZINC000196569448 347937349 /nfs/dbraw/zinc/93/73/49/347937349.db2.gz ZNFHZIOYNIVGJA-LLVKDONJSA-N 0 0 237.255 1.746 10 5 BDBERN C[C@H]1OCC[C@H]1Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596179682 348455071 /nfs/dbraw/zinc/45/50/71/348455071.db2.gz OIEJTGPIXHGWDD-RNFRBKRXSA-N 0 0 239.231 1.285 10 5 BDBERN Cc1ccnc(NC2CC(CO)C2)c1[N+](=O)[O-] ZINC000596570178 348582025 /nfs/dbraw/zinc/58/20/25/348582025.db2.gz VMHCZYCKOVLESJ-UHFFFAOYSA-N 0 0 237.259 1.481 10 5 BDBERN O=[N+]([O-])c1ccccc1N[C@@H]1CCOC[C@@H]1O ZINC000599178364 349120802 /nfs/dbraw/zinc/12/08/02/349120802.db2.gz KIJZTLYLKCRPIO-KOLCDFICSA-N 0 0 238.243 1.157 10 5 BDBERN Cc1ncc(-n2ccnc2)cc1[N+](=O)[O-] ZINC000035570488 180123288 /nfs/dbraw/zinc/12/32/88/180123288.db2.gz FOEUFWLOBOQBQK-UHFFFAOYSA-N 0 0 204.189 1.484 10 5 BDBERN CCOC(=O)Cc1cnc([N+](=O)[O-])cc1C ZINC000222916982 350256143 /nfs/dbraw/zinc/25/61/43/350256143.db2.gz BBQWMTUJBYUBFX-UHFFFAOYSA-N 0 0 224.216 1.404 10 5 BDBERN O=Cc1n[nH]c2cc(F)cc([N+](=O)[O-])c12 ZINC000014983890 350442874 /nfs/dbraw/zinc/44/28/74/350442874.db2.gz SAJZULNHVWRVDE-UHFFFAOYSA-N 0 0 209.136 1.423 10 5 BDBERN Cc1nn([C@H](C)c2cccnc2)c(N)c1[N+](=O)[O-] ZINC000043670508 180393362 /nfs/dbraw/zinc/39/33/62/180393362.db2.gz PGDZQQMKAJYETR-MRVPVSSYSA-N 0 0 247.258 1.686 10 5 BDBERN O=c1ccc2ccc3ccc(=O)[nH]c3c2[nH]1 ZINC000139672793 351160692 /nfs/dbraw/zinc/16/06/92/351160692.db2.gz OMZLSNCPNSHOHQ-UHFFFAOYSA-N 0 0 212.208 1.370 10 5 BDBERN O=[N+]([O-])c1cnc(NO)c(Br)c1 ZINC000306966229 351385480 /nfs/dbraw/zinc/38/54/80/351385480.db2.gz OFBRVSOHXKBDHU-UHFFFAOYSA-N 0 0 234.009 1.553 10 5 BDBERN O=c1[nH]c2c(cc(Cl)cc2[N+](=O)[O-])c(=O)o1 ZINC000005973837 351348795 /nfs/dbraw/zinc/34/87/95/351348795.db2.gz RVEUSUWWSKGWHC-UHFFFAOYSA-N 0 0 242.574 1.043 10 5 BDBERN Cc1cc([N+](=O)[O-])nn1[C@H]1CCC(=O)C1 ZINC000300863818 363075004 /nfs/dbraw/zinc/07/50/04/363075004.db2.gz JMTKCSQZYLGYFE-ZETCQYMHSA-N 0 0 209.205 1.394 10 5 BDBERN O=[N+]([O-])c1csc(C2N=NC(=S)O2)c1 ZINC000307248494 351753994 /nfs/dbraw/zinc/75/39/94/351753994.db2.gz NGBPBVOSXNXXPI-UHFFFAOYSA-N 0 0 229.242 1.995 10 5 BDBERN O=[N+]([O-])c1cccc2c1CC[C@H]2N1CCOCC1 ZINC000725270512 538101864 /nfs/dbraw/zinc/10/18/64/538101864.db2.gz ALTPFCRJCBQLSA-GFCCVEGCSA-N 0 0 248.282 1.914 10 5 BDBERN CCc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000040175803 352193447 /nfs/dbraw/zinc/19/34/47/352193447.db2.gz HMCFEQMTLQPSJL-UHFFFAOYSA-N 0 0 218.216 1.942 10 5 BDBERN Cc1c([N+](=O)[O-])ccc(Cl)c1C(N)=O ZINC000307383801 352511952 /nfs/dbraw/zinc/51/19/52/352511952.db2.gz IXJWUMSUJOQAJY-UHFFFAOYSA-N 0 0 214.608 1.656 10 5 BDBERN O=[N+]([O-])c1nn(Cc2cn[nH]c2)cc1Cl ZINC000307622138 352692220 /nfs/dbraw/zinc/69/22/20/352692220.db2.gz KNQLPVUHPRVRCJ-UHFFFAOYSA-N 0 0 227.611 1.216 10 5 BDBERN O=[N+]([O-])c1ccc(F)c(N2CCOCC2)c1 ZINC000114012651 363211343 /nfs/dbraw/zinc/21/13/43/363211343.db2.gz QAGRLLGFZROGAS-UHFFFAOYSA-N 0 0 226.207 1.571 10 5 BDBERN CCOC(=O)[C@@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000049374311 188298546 /nfs/dbraw/zinc/29/85/46/188298546.db2.gz HAPKSNABPNGVAR-MRVPVSSYSA-N 0 0 238.243 1.958 10 5 BDBERN Nc1ccc2[nH]c3ccc(N)cc3c(=O)c2c1 ZINC000062722008 188303777 /nfs/dbraw/zinc/30/37/77/188303777.db2.gz LDBXPGCBUCLVSP-UHFFFAOYSA-N 0 0 225.251 1.846 10 5 BDBERN CC(=O)Nc1cc(C(C)=O)cc([N+](=O)[O-])n1 ZINC000095766519 188321182 /nfs/dbraw/zinc/32/11/82/188321182.db2.gz HIFBDJATGYWYDB-UHFFFAOYSA-N 0 0 223.188 1.151 10 5 BDBERN O=[N+]([O-])c1nccn1CCCC[C@H]1CO1 ZINC000027102444 188356299 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345466490 /nfs/dbraw/zinc/46/64/90/345466490.db2.gz RKDWBNIFALNXQD-UHFFFAOYSA-N 0 0 201.113 1.224 10 5 BDBERN Cn1ncc([N+](=O)[O-])c1C1=CCCCO1 ZINC000221372839 345863852 /nfs/dbraw/zinc/86/38/52/345863852.db2.gz OENUWDAKGXTXKO-UHFFFAOYSA-N 0 0 209.205 1.480 10 5 BDBERN COc1ccc([N+](=O)[O-])c(C(C)=O)c1OC ZINC000034088898 346191636 /nfs/dbraw/zinc/19/16/36/346191636.db2.gz JTYVOUDOGJPFSJ-UHFFFAOYSA-N 0 0 225.200 1.815 10 5 BDBERN O=[N+]([O-])c1ncccc1OC(F)(F)F ZINC000147484734 346498484 /nfs/dbraw/zinc/49/84/84/346498484.db2.gz OSYNXEUKKDKKKL-UHFFFAOYSA-N 0 0 208.095 1.888 10 5 BDBERN CC(=O)C(C(C)=O)[C@H](CC(C)C)C[N+](=O)[O-] ZINC000149652664 347408286 /nfs/dbraw/zinc/40/82/86/347408286.db2.gz MFWLZGMKCOAMBH-SNVBAGLBSA-N 0 0 229.276 1.720 10 5 BDBERN Cc1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]c1=O ZINC000196470233 347905174 /nfs/dbraw/zinc/90/51/74/347905174.db2.gz LEDAPYUNZIDQCG-UHFFFAOYSA-N 0 0 231.211 1.654 10 5 BDBERN O=[N+]([O-])c1ccccc1CN1CC(O)(C2CC2)C1 ZINC000089678854 362922640 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/nfs/dbraw/zinc/16/61/84/360166184.db2.gz QOIMKESCVHKDOY-UHFFFAOYSA-N 0 0 207.111 1.591 10 5 BDBERN COc1ccc2c(c1[N+](=O)[O-])C(=O)OC2 ZINC000238401096 360996784 /nfs/dbraw/zinc/99/67/84/360996784.db2.gz CQOULEVLNXOREY-UHFFFAOYSA-N 0 0 209.157 1.274 10 5 BDBERN NC(=O)c1cccc(Br)c1[N+](=O)[O-] ZINC000238624713 361167549 /nfs/dbraw/zinc/16/75/49/361167549.db2.gz FGNHQKIMWWWTCW-UHFFFAOYSA-N 0 0 245.032 1.456 10 5 BDBERN COc1nc(C(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000725263900 541336766 /nfs/dbraw/zinc/33/67/66/541336766.db2.gz ALMLHBJOHPGCKT-UHFFFAOYSA-N 0 0 239.231 1.137 10 5 BDBERN O=c1c(CO)coc2ccc([N+](=O)[O-])cc12 ZINC000044198569 368332616 /nfs/dbraw/zinc/33/26/16/368332616.db2.gz IRSYWXFHYRORMS-UHFFFAOYSA-N 0 0 221.168 1.194 10 5 BDBERN CNc1c(C(=O)N[C@H]2C[C@H]2C)cccc1[N+](=O)[O-] ZINC000130797054 368964797 /nfs/dbraw/zinc/96/47/97/368964797.db2.gz ZAVDKHVBTUXYQS-APPZFPTMSA-N 0 0 249.270 1.775 10 5 BDBERN O=[N+]([O-])C[C@H](O)c1ccc(C(F)(F)F)nc1 ZINC000118619292 371041801 /nfs/dbraw/zinc/04/18/01/371041801.db2.gz WJQKQOYPXCBALK-LURJTMIESA-N 0 0 236.149 1.411 10 5 BDBERN Nc1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 ZINC000052841825 181691375 /nfs/dbraw/zinc/69/13/75/181691375.db2.gz NCPNCGSVEWXVNL-UHFFFAOYSA-N 0 0 237.244 1.446 10 5 BDBERN Nc1nc(Cl)nc2c1cccc2[N+](=O)[O-] ZINC000238653186 181784430 /nfs/dbraw/zinc/78/44/30/181784430.db2.gz KPYHIXNTSYQJAL-UHFFFAOYSA-N 0 0 224.607 1.774 10 5 BDBERN Nc1ncc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000013602284 181798008 /nfs/dbraw/zinc/79/80/08/181798008.db2.gz DSIVLMKQNTVXOD-UHFFFAOYSA-N 0 0 246.226 1.546 10 5 BDBERN O=[N+]([O-])c1cccnc1N[C@@H]1CCC[C@@H](O)C1 ZINC000603866292 371938197 /nfs/dbraw/zinc/93/81/97/371938197.db2.gz ZRKCBJSNWNVASM-RKDXNWHRSA-N 0 0 237.259 1.705 10 5 BDBERN NNCc1ccc(Br)cc1[N+](=O)[O-] ZINC000164828464 372201456 /nfs/dbraw/zinc/20/14/56/372201456.db2.gz IHJGLSWGFBIQFX-UHFFFAOYSA-N 0 0 246.064 1.321 10 5 BDBERN O=C(NCc1cn[nH]c1)c1ccc([N+](=O)[O-])cc1 ZINC000037983138 182269817 /nfs/dbraw/zinc/26/98/17/182269817.db2.gz VMMAZPIKRKOOEN-UHFFFAOYSA-N 0 0 246.226 1.248 10 5 BDBERN O=C(c1ccc([N+](=O)[O-])c(F)c1)N1CCCC1 ZINC000054415726 182665761 /nfs/dbraw/zinc/66/57/61/182665761.db2.gz LDAACSRTFSPWKZ-UHFFFAOYSA-N 0 0 238.218 1.970 10 5 BDBERN O=Cc1nccn1Cc1ccc([N+](=O)[O-])cc1 ZINC000051003336 182876664 /nfs/dbraw/zinc/87/66/64/182876664.db2.gz XNMUZPVCBLIFNS-UHFFFAOYSA-N 0 0 231.211 1.652 10 5 BDBERN O=[N+]([O-])[C@H](Cc1ccccc1)[C@H](O)CF ZINC000035572165 182919666 /nfs/dbraw/zinc/91/96/66/182919666.db2.gz WPLCHTDCGSUFBC-NXEZZACHSA-N 0 0 213.208 1.205 10 5 BDBERN COc1cc(C(C)=O)c([N+](=O)[O-])cc1F ZINC000071624987 384225935 /nfs/dbraw/zinc/22/59/35/384225935.db2.gz UUCBLRQJSNMHPG-UHFFFAOYSA-N 0 0 213.164 1.945 10 5 BDBERN C[C@H]1O[C@]2(CS1)C[N+]1([O-])CCC2CC1 ZINC000044699398 384353991 /nfs/dbraw/zinc/35/39/91/384353991.db2.gz DWWHPWWQQISZCA-XEAZBWPWSA-N 0 0 215.318 1.573 10 5 in-vitro BDBERN O=[N+]([O-])c1ccc(Br)c2nonc21 ZINC000095093371 384819797 /nfs/dbraw/zinc/81/97/97/384819797.db2.gz UEARFJVKDGVSDM-UHFFFAOYSA-N 0 0 244.004 1.894 10 5 BDBERN Cc1ccc([N+](=O)[O-])c2ncc(CO)n21 ZINC000536955327 384804943 /nfs/dbraw/zinc/80/49/43/384804943.db2.gz REDDFOBYQYIZGQ-UHFFFAOYSA-N 0 0 207.189 1.043 10 5 BDBERN O=[N+]([O-])c1ccccc1[C@H]1CC[C@@H](CO)OC1 ZINC000536958707 384805890 /nfs/dbraw/zinc/80/58/90/384805890.db2.gz TVAUTARSHUPFFO-UWVGGRQHSA-N 0 0 237.255 1.850 10 5 BDBERN COC(=O)c1cc(F)c([N+](=O)[O-])cc1OC ZINC000575714095 384863023 /nfs/dbraw/zinc/86/30/23/384863023.db2.gz DEXRZEOSXMHCFX-UHFFFAOYSA-N 0 0 229.163 1.529 10 5 BDBERN COC(=O)c1noc2c1cccc2[N+](=O)[O-] ZINC000299889285 385553884 /nfs/dbraw/zinc/55/38/84/385553884.db2.gz GXWXUHUUJCVRLO-UHFFFAOYSA-N 0 0 222.156 1.523 10 5 BDBERN COC(=O)c1noc2cccc([N+](=O)[O-])c21 ZINC000215976628 385855080 /nfs/dbraw/zinc/85/50/80/385855080.db2.gz MBSUKIBDJKDCDO-UHFFFAOYSA-N 0 0 222.156 1.523 10 5 BDBERN C[C@@H]1CCCN1Cc1c([N+](=O)[O-])ncn1C ZINC000408309742 386009746 /nfs/dbraw/zinc/00/97/46/386009746.db2.gz OGVQTOPOKBZOGR-MRVPVSSYSA-N 0 0 224.264 1.313 10 5 BDBERN Nc1nc(N2CC[C@H]3CCC[C@@H]32)ncc1[N+](=O)[O-] ZINC000408361619 386240231 /nfs/dbraw/zinc/24/02/31/386240231.db2.gz HYOCPTFUSKRQNQ-SFYZADRCSA-N 0 0 249.274 1.176 10 5 BDBERN CNNc1cccc(Br)c1[N+](=O)[O-] ZINC000575470874 387103727 /nfs/dbraw/zinc/10/37/27/387103727.db2.gz AQODRZHGTVYKCB-UHFFFAOYSA-N 0 0 246.064 1.904 10 5 BDBERN COc1c(CO)ccc(OC(F)F)c1[N+](=O)[O-] ZINC000575664130 387291405 /nfs/dbraw/zinc/29/14/05/387291405.db2.gz CMVKPQGFSWFHLF-UHFFFAOYSA-N 0 0 249.169 1.697 10 5 BDBERN COC(=O)Cc1c(C)ccc([N+](=O)[O-])c1OC ZINC000575679570 387361309 /nfs/dbraw/zinc/36/13/09/387361309.db2.gz YOXRTFOTBITUKA-UHFFFAOYSA-N 0 0 239.227 1.627 10 5 BDBERN COC(=O)Cc1cc([N+](=O)[O-])c(C)cc1OC ZINC000575678602 387361352 /nfs/dbraw/zinc/36/13/52/387361352.db2.gz HZTKGGWUOWAKSF-UHFFFAOYSA-N 0 0 239.227 1.627 10 5 BDBERN Cc1cc(C(N)=O)c([N+](=O)[O-])cc1OC(F)F ZINC000575669144 387332699 /nfs/dbraw/zinc/33/26/99/387332699.db2.gz YVZGAVYJLGEVPQ-UHFFFAOYSA-N 0 0 246.169 1.604 10 5 BDBERN COc1cc(C(N)=O)c([N+](=O)[O-])cc1C ZINC000575673865 387342377 /nfs/dbraw/zinc/34/23/77/387342377.db2.gz PHBKSBATALNNSH-UHFFFAOYSA-N 0 0 210.189 1.011 10 5 BDBERN COc1cc(C(C)=O)c([N+](=O)[O-])cc1N ZINC000575716323 387431541 /nfs/dbraw/zinc/43/15/41/387431541.db2.gz CYLNHKYBXMQWLC-UHFFFAOYSA-N 0 0 210.189 1.388 10 5 BDBERN COc1cc(Cl)cc(N)c1[N+](=O)[O-] ZINC000575720987 387443439 /nfs/dbraw/zinc/44/34/39/387443439.db2.gz XTYILNNZWYHZBE-UHFFFAOYSA-N 0 0 202.597 1.839 10 5 BDBERN CCOc1ccc(N)c(OCC)c1[N+](=O)[O-] ZINC000575721442 387445076 /nfs/dbraw/zinc/44/50/76/387445076.db2.gz LFFNTIYPVABDFT-UHFFFAOYSA-N 0 0 226.232 1.974 10 5 BDBERN Nc1c(O)c(OC(F)F)ccc1[N+](=O)[O-] ZINC000575723196 387446209 /nfs/dbraw/zinc/44/62/09/387446209.db2.gz LMGJHJRGVUVAGT-UHFFFAOYSA-N 0 0 220.131 1.484 10 5 BDBERN COC(=O)c1ccc(N)c([N+](=O)[O-])c1Cl ZINC000575724963 387460086 /nfs/dbraw/zinc/46/00/86/387460086.db2.gz DAWFWOBBPYCFFP-UHFFFAOYSA-N 0 0 230.607 1.617 10 5 BDBERN CCOc1c(O)c(F)ccc1[N+](=O)[O-] ZINC000575698027 387393093 /nfs/dbraw/zinc/39/30/93/387393093.db2.gz YFANMMBLNKWRTI-UHFFFAOYSA-N 0 0 201.153 1.838 10 5 BDBERN CCOc1c(C=O)c(OC)ccc1[N+](=O)[O-] ZINC000575698454 387394532 /nfs/dbraw/zinc/39/45/32/387394532.db2.gz QHQARSVIUKCVLL-UHFFFAOYSA-N 0 0 225.200 1.815 10 5 BDBERN CCOc1cc(F)cc(C=O)c1[N+](=O)[O-] ZINC000575695989 387395405 /nfs/dbraw/zinc/39/54/05/387395405.db2.gz HWOBMGUODIQFDH-UHFFFAOYSA-N 0 0 213.164 1.945 10 5 BDBERN CCOc1cc(C)c(C(N)=O)cc1[N+](=O)[O-] ZINC000575698656 387397397 /nfs/dbraw/zinc/39/73/97/387397397.db2.gz CLWSTOWJJJWQOS-UHFFFAOYSA-N 0 0 224.216 1.401 10 5 BDBERN O=[N+]([O-])c1ccc(Oc2cncnc2)nc1 ZINC000089224365 387407231 /nfs/dbraw/zinc/40/72/31/387407231.db2.gz VUWHGLPNGGRJQJ-UHFFFAOYSA-N 0 0 218.172 1.572 10 5 BDBERN COC(=O)c1c(O)cc(F)cc1[N+](=O)[O-] ZINC000575714319 387408215 /nfs/dbraw/zinc/40/82/15/387408215.db2.gz RCMFHBPSGVDQBU-UHFFFAOYSA-N 0 0 215.136 1.226 10 5 BDBERN COc1c([N+](=O)[O-])ccc(F)c1C(C)=O ZINC000575707464 387410649 /nfs/dbraw/zinc/41/06/49/387410649.db2.gz AFWQGPUGISDKCL-UHFFFAOYSA-N 0 0 213.164 1.945 10 5 BDBERN CCOC(=O)Cc1c(N)ccc([N+](=O)[O-])c1F ZINC000575725198 387461115 /nfs/dbraw/zinc/46/11/15/387461115.db2.gz UYVPIPLAODJVLS-UHFFFAOYSA-N 0 0 242.206 1.422 10 5 BDBERN COC(=O)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000575714027 387418889 /nfs/dbraw/zinc/41/88/89/387418889.db2.gz CFSPFESBHUTSMM-UHFFFAOYSA-N 0 0 243.190 1.458 10 5 BDBERN CCOC(=O)c1ccc(N)c([N+](=O)[O-])c1C ZINC000575727539 387463965 /nfs/dbraw/zinc/46/39/65/387463965.db2.gz WJFFVCWGGPDPSP-UHFFFAOYSA-N 0 0 224.216 1.662 10 5 BDBERN CNc1cc(C)nc(Cl)c1[N+](=O)[O-] ZINC000079058014 388690567 /nfs/dbraw/zinc/69/05/67/388690567.db2.gz ABNSGBJKJSNTAV-UHFFFAOYSA-N 0 0 201.613 1.993 10 5 BDBERN Nc1nc(-c2ncccc2[N+](=O)[O-])ns1 ZINC000067173700 388693735 /nfs/dbraw/zinc/69/37/35/388693735.db2.gz WLPQTHXNGLFOFF-UHFFFAOYSA-N 0 0 223.217 1.091 10 5 BDBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)n1 ZINC000214919725 388700896 /nfs/dbraw/zinc/70/08/96/388700896.db2.gz SLSQPCUSVSYWQA-UHFFFAOYSA-N 0 0 216.580 1.430 10 5 BDBERN Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1CCO ZINC000020313223 177636329 /nfs/dbraw/zinc/63/63/29/177636329.db2.gz YZVLCJQDVJWUGU-UHFFFAOYSA-N 0 0 239.153 1.111 10 5 BDBERN C[C@H]1CN(c2ncc([N+](=O)[O-])cn2)CCS1 ZINC000273628481 132202281 /nfs/dbraw/zinc/20/22/81/132202281.db2.gz PXFQMQUCDQSRCX-ZETCQYMHSA-N 0 0 240.288 1.327 10 5 BDBERN O=[N+]([O-])c1ccc(F)cc1N1CCC[C@H](O)C1 ZINC000052121471 132228977 /nfs/dbraw/zinc/22/89/77/132228977.db2.gz VHILJNYSIDPLAJ-VIFPVBQESA-N 0 0 240.234 1.695 10 5 BDBERN C[C@H]1CN(c2cc(F)ccc2[N+](=O)[O-])CCO1 ZINC000302863282 132266725 /nfs/dbraw/zinc/26/67/25/132266725.db2.gz RWVLLRLDKIXOPJ-QMMMGPOBSA-N 0 0 240.234 1.959 10 5 BDBERN O=[N+]([O-])c1cnc(N2CC[C@@H]3CCC[C@H]32)nc1 ZINC000408362730 133477067 /nfs/dbraw/zinc/47/70/67/133477067.db2.gz QSPQAXPHKNUPCD-WCBMZHEXSA-N 0 0 234.259 1.764 10 5 BDBERN O=[N+]([O-])c1cnc(N2CC[C@H](CCO)C2)s1 ZINC000226785675 134369128 /nfs/dbraw/zinc/36/91/28/134369128.db2.gz NLSJURMOWGXZAX-SSDOTTSWSA-N 0 0 243.288 1.260 10 5 BDBERN CCOC(=O)c1c(N)cc([N+](=O)[O-])cc1O ZINC000575725684 398068728 /nfs/dbraw/zinc/06/87/28/398068728.db2.gz ULZWWIBGRQZORF-UHFFFAOYSA-N 0 0 226.188 1.059 10 5 BDBERN CCOC(=O)c1cc(N)c([N+](=O)[O-])cc1CC ZINC000575724712 398069698 /nfs/dbraw/zinc/06/96/98/398069698.db2.gz QMEVQPAUCGVDQW-UHFFFAOYSA-N 0 0 238.243 1.916 10 5 BDBERN O=[N+]([O-])c1c(F)cncc1Br ZINC000306233481 398134306 /nfs/dbraw/zinc/13/43/06/398134306.db2.gz DBWNEYABRMAUHA-UHFFFAOYSA-N 0 0 220.985 1.891 10 5 BDBERN O=C1Nc2c(cc(Cl)cc2[N+](=O)[O-])C1=O ZINC000031866903 411187731 /nfs/dbraw/zinc/18/77/31/411187731.db2.gz XAZUEEVNKAGHKV-UHFFFAOYSA-N 0 0 226.575 1.383 10 5 BDBERN CCNC(=O)c1cc(N)c(F)cc1[N+](=O)[O-] ZINC000050697578 170100470 /nfs/dbraw/zinc/10/04/70/170100470.db2.gz DIYVWTVCKFUBQH-UHFFFAOYSA-N 0 0 227.195 1.066 10 5 BDBERN CCOC(=O)c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000095764158 170307062 /nfs/dbraw/zinc/30/70/62/170307062.db2.gz NNSVFNZOTHHIMB-UHFFFAOYSA-N 0 0 224.216 1.783 10 5 BDBERN CCn1ccc(=O)c2cc([N+](=O)[O-])ccc21 ZINC000001659948 172200390 /nfs/dbraw/zinc/20/03/90/172200390.db2.gz NBTDCHNREGPDHY-UHFFFAOYSA-N 0 0 218.212 1.930 10 5 BDBERN CN(C)c1c(OC2CC2)cncc1[N+](=O)[O-] ZINC000095713404 172543477 /nfs/dbraw/zinc/54/34/77/172543477.db2.gz WXANEIRANZELSN-UHFFFAOYSA-N 0 0 223.232 1.597 10 5 BDBERN C[C@@H]1CC(=O)N[C@H](c2ccccc2)[C@@H]1[N+](=O)[O-] ZINC000096032502 176050138 /nfs/dbraw/zinc/05/01/38/176050138.db2.gz JOMJJSQKSCKHRY-GGZOMVNGSA-N 0 0 234.255 1.529 10 5 BDBERN C[C@@H]1O[C@]2(CS1)C[N+]1([O-])CCC2CC1 ZINC000044699397 176485985 /nfs/dbraw/zinc/48/59/85/176485985.db2.gz DWWHPWWQQISZCA-VKAADOFISA-N 0 0 215.318 1.573 10 5 in-vitro BDBERN C[C@@H](O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC000087138833 177023193 /nfs/dbraw/zinc/02/31/93/177023193.db2.gz FYDXUAIIXXMABU-SFYZADRCSA-N 0 0 211.217 1.743 10 5 BDBERN C[C@H]1C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000052303750 177384994 /nfs/dbraw/zinc/38/49/94/177384994.db2.gz LTRJJMVPQFJOLX-QUBYGPBYSA-N 0 0 235.243 1.315 10 5 BDBERN O=C1NC[C@H](c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000536951290 323956106 /nfs/dbraw/zinc/95/61/06/323956106.db2.gz PRYKSGUJDGIQTQ-LLVKDONJSA-N 0 0 246.266 1.979 10 5 BDBERN COc1cc([N+](=O)[O-])cnc1NCC[C@@H](C)O ZINC000892540685 582908546 /nfs/dbraw/zinc/90/85/46/582908546.db2.gz POPPRTMZEVDBRI-SSDOTTSWSA-N 0 0 241.247 1.181 10 5 BDBERN Cc1cc([N+](=O)[O-])c(F)c2c1NC(=O)C2=O ZINC000757187490 586434748 /nfs/dbraw/zinc/43/47/48/586434748.db2.gz JBEQIUFYWPSCOV-UHFFFAOYSA-N 0 0 224.147 1.177 10 5 BDBERN C[C@@H](O)[C@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000309057788 631833162 /nfs/dbraw/zinc/83/31/62/631833162.db2.gz VEKUSAPCLVOFBR-JGVFFNPUSA-N 0 0 210.233 1.776 10 5 BDBERN COC1CC(Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000230598996 632818446 /nfs/dbraw/zinc/81/84/46/632818446.db2.gz NOZFLNIWOLHHJL-UHFFFAOYSA-N 0 0 223.232 1.579 10 5 BDBERN C[C@@H](Nc1cccc(F)c1[N+](=O)[O-])[C@H](C)O ZINC000309914914 633935979 /nfs/dbraw/zinc/93/59/79/633935979.db2.gz ORSMPQAZTDHZBI-RQJHMYQMSA-N 0 0 228.223 1.915 10 5 BDBERN C[C@@H](O)[C@H](C)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000336751225 635258964 /nfs/dbraw/zinc/25/89/64/635258964.db2.gz CEDBZTFEKDNGIT-NTSWFWBYSA-N 0 0 245.666 1.824 10 5 BDBERN COc1cc(N[C@@H](C)[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000343782070 636773833 /nfs/dbraw/zinc/77/38/33/636773833.db2.gz AXSNITPCKMXSIE-JGVFFNPUSA-N 0 0 240.259 1.785 10 5 BDBERN C[C@@H](O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000346446873 637142744 /nfs/dbraw/zinc/14/27/44/637142744.db2.gz HVIFUESBCCNMAJ-JGVFFNPUSA-N 0 0 238.243 1.094 10 5 BDBERN C[C@@H](O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000346446871 643567952 /nfs/dbraw/zinc/56/79/52/643567952.db2.gz HVIFUESBCCNMAJ-HTQZYQBOSA-N 0 0 238.243 1.094 10 5 BDBERN Cc1cc(N[C@@H]2CNOC2)c(F)cc1[N+](=O)[O-] ZINC000722501315 711760125 /nfs/dbraw/zinc/76/01/25/711760125.db2.gz DGOKSKDVCHTCNF-SSDOTTSWSA-N 0 0 241.222 1.358 10 5 BDBERN CSC1CC(Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000708259003 712184566 /nfs/dbraw/zinc/18/45/66/712184566.db2.gz VHYVKOSOLSZETN-UHFFFAOYSA-N 0 0 240.288 1.691 10 5 BDBERN O=[N+]([O-])c1ccccc1O[C@@H]1CCC[C@@H]1O ZINC000037695760 538963841 /nfs/dbraw/zinc/96/38/41/538963841.db2.gz RTFUMNDLAYTVGQ-GXSJLCMTSA-N 0 0 223.228 1.887 10 5 BDBERN Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@H]2CO)n1 ZINC000309613798 342753206 /nfs/dbraw/zinc/75/32/06/342753206.db2.gz AYQZPZQYWZWCKL-JGVFFNPUSA-N 0 0 223.232 1.091 10 5 BDBERN O=[N+]([O-])c1c(F)cccc1N1CCC[C@H]1CO ZINC000042434558 361997364 /nfs/dbraw/zinc/99/73/64/361997364.db2.gz PQTPZHQTYUMHJP-QMMMGPOBSA-N 0 0 240.234 1.695 10 5 BDBERN O=Cc1cnc([N+](=O)[O-])cc1OC(F)(F)F ZINC000309192250 342907305 /nfs/dbraw/zinc/90/73/05/342907305.db2.gz PGWOYHDAXKTFNK-UHFFFAOYSA-N 0 0 236.105 1.701 10 5 BDBERN O=[N+]([O-])c1c[nH]c2nccc([N+](=O)[O-])c12 ZINC000016678077 342914132 /nfs/dbraw/zinc/91/41/32/342914132.db2.gz FIVUFQCXDQBUMJ-UHFFFAOYSA-N 0 0 208.133 1.379 10 5 BDBERN COc1nc([N+](=O)[O-])ccc1OC(F)(F)F ZINC000309232306 342920278 /nfs/dbraw/zinc/92/02/78/342920278.db2.gz YCHUAXZKKDLDMA-UHFFFAOYSA-N 0 0 238.121 1.897 10 5 BDBERN C[C@@H]([C@H](O)c1ccccc1[N+](=O)[O-])[N+](=O)[O-] ZINC000036456758 343005486 /nfs/dbraw/zinc/00/54/86/343005486.db2.gz CXGZYCVDPAEDKI-RCOVLWMOSA-N 0 0 226.188 1.293 10 5 BDBERN O=[N+]([O-])c1ccc(-c2ccc([N+](=O)[O-])nc2)cn1 ZINC000584880594 343081156 /nfs/dbraw/zinc/08/11/56/343081156.db2.gz IKUBSHKFPUFPCY-UHFFFAOYSA-N 0 0 246.182 1.960 10 5 BDBERN O=C([O-])[C@@H]1CC[C@@H](c2ccc([N+](=O)[O-])cc2)[NH2+]1 ZINC000584880460 343081380 /nfs/dbraw/zinc/08/13/80/343081380.db2.gz CMDNFCORZWYKCR-UWVGGRQHSA-N 0 0 236.227 1.473 10 5 BDBERN CCc1nc(-c2cc([N+](=O)[O-])ccc2OC)n[nH]1 ZINC000072237792 343088426 /nfs/dbraw/zinc/08/84/26/343088426.db2.gz SDAVFGZQAHYANW-UHFFFAOYSA-N 0 0 248.242 1.951 10 5 BDBERN Nc1nc(-c2cccnc2)ccc1[N+](=O)[O-] ZINC000149149749 343196749 /nfs/dbraw/zinc/19/67/49/343196749.db2.gz JOICQOFBBBNORI-UHFFFAOYSA-N 0 0 216.200 1.634 10 5 BDBERN CN(c1c([N+](=O)[O-])ncn1C)[C@H]1CC1(C)C ZINC000408353726 133475388 /nfs/dbraw/zinc/47/53/88/133475388.db2.gz DFALXFCLEGRAIM-ZETCQYMHSA-N 0 0 224.264 1.563 10 5 BDBERN CNc1ncc([N+](=O)[O-])c(SC)n1 ZINC000234577253 344151806 /nfs/dbraw/zinc/15/18/06/344151806.db2.gz YCZVZWBNXLFLKT-UHFFFAOYSA-N 0 0 200.223 1.148 10 5 BDBERN O=[N+]([O-])c1cc(OC(F)(F)F)ncc1CO ZINC000309376949 347044637 /nfs/dbraw/zinc/04/46/37/347044637.db2.gz WBBXRVPTAHKYIT-UHFFFAOYSA-N 0 0 238.121 1.381 10 5 BDBERN CN(C)/C=C/c1ccc([N+](=O)[O-])c(N)n1 ZINC000215685606 349909139 /nfs/dbraw/zinc/90/91/39/349909139.db2.gz PMLPGMJIXUVUIF-AATRIKPKSA-N 0 0 208.221 1.104 10 5 BDBERN Cn1cnc([N+](=O)[O-])c1CN1C[C@H]2CCC[C@@H]21 ZINC000408291721 344464097 /nfs/dbraw/zinc/46/40/97/344464097.db2.gz PVTXTUJSTNTQNI-BDAKNGLRSA-N 0 0 236.275 1.313 10 5 BDBERN O=[N+]([O-])c1ccccc1N[C@@H]1CCC[C@@H]1O ZINC000077994102 344829278 /nfs/dbraw/zinc/82/92/78/344829278.db2.gz LOKUYNQCYWRTCF-KOLCDFICSA-N 0 0 222.244 1.920 10 5 BDBERN Nc1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000238610450 345092458 /nfs/dbraw/zinc/09/24/58/345092458.db2.gz CLEFQRLFZVWEJD-UHFFFAOYSA-N 0 0 204.132 1.778 10 5 BDBERN CC(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000137800233 345696376 /nfs/dbraw/zinc/69/63/76/345696376.db2.gz JFJNNGBTWIGGRW-UHFFFAOYSA-N 0 0 243.284 1.918 10 5 BDBERN COC(=O)Cc1cn2c(ccc(C)c2[N+](=O)[O-])n1 ZINC000585656165 346653045 /nfs/dbraw/zinc/65/30/45/346653045.db2.gz NVFZCDCXVMVCJV-UHFFFAOYSA-N 0 0 249.226 1.266 10 5 BDBERN O=C(c1ccc([N+](=O)[O-])cc1)N1[C@@H]2CCC[C@@H]21 ZINC000038880294 347169692 /nfs/dbraw/zinc/16/96/92/347169692.db2.gz ATNKOIUYZIWYLJ-QYJAPNMZSA-N 0 0 232.239 1.972 10 5 BDBERN O=C(NCCF)Oc1ccccc1[N+](=O)[O-] ZINC000196409538 347877382 /nfs/dbraw/zinc/87/73/82/347877382.db2.gz MPBSUNQXBPLFSZ-UHFFFAOYSA-N 0 0 228.179 1.653 10 5 BDBERN CCn1c(C)nc([N+](=O)[O-])c1N1CC=CCN1 ZINC000599112000 349099259 /nfs/dbraw/zinc/09/92/59/349099259.db2.gz JKPGFXNTDBLVSM-UHFFFAOYSA-N 0 0 237.263 1.000 10 5 BDBERN Cc1nn(C2CCCC2)c(N)c1[N+](=O)[O-] ZINC000043670255 180384152 /nfs/dbraw/zinc/38/41/52/180384152.db2.gz RTXXSYCNRDVRSK-UHFFFAOYSA-N 0 0 210.237 1.797 10 5 BDBERN C[C@H](CNc1ccccc1[N+](=O)[O-])[S@](C)=O ZINC000159759650 350994972 /nfs/dbraw/zinc/99/49/72/350994972.db2.gz FPXMDXAEBUOYTQ-VPTHRUTESA-N 0 0 242.300 1.774 10 5 BDBERN COc1cc(F)cc([N+](=O)[O-])c1OC ZINC000306775056 351015708 /nfs/dbraw/zinc/01/57/08/351015708.db2.gz KYKIPRXEHKLVMG-UHFFFAOYSA-N 0 0 201.153 1.751 10 5 BDBERN C[C@H](CNc1ncccc1[N+](=O)[O-])[S@@](C)=O ZINC000159859507 351017901 /nfs/dbraw/zinc/01/79/01/351017901.db2.gz OBWFIHJPYSZHLF-QZTNRIJFSA-N 0 0 243.288 1.169 10 5 BDBERN O=C1NC[C@H](c2csc([N+](=O)[O-])c2)N1 ZINC000307153494 351506642 /nfs/dbraw/zinc/50/66/42/351506642.db2.gz UFPSFCGXFLJCCS-RXMQYKEDSA-N 0 0 213.218 1.010 10 5 BDBERN COC(=O)c1ccc([N+](=O)[O-])c(NO)c1 ZINC000127719932 353271544 /nfs/dbraw/zinc/27/15/44/353271544.db2.gz MQFUHPPBNIVBEI-UHFFFAOYSA-N 0 0 212.161 1.183 10 5 BDBERN CC(=O)Nn1c(C)c([N+](=O)[O-])c2ccc(O)cc21 ZINC000090759851 188271927 /nfs/dbraw/zinc/27/19/27/188271927.db2.gz WQJXOLKVJMEFNA-UHFFFAOYSA-N 0 0 249.226 1.654 10 5 BDBERN O=C1Nc2c(cc(F)c(F)c2[N+](=O)[O-])C1=O ZINC000057218842 188301716 /nfs/dbraw/zinc/30/17/16/188301716.db2.gz GQCGUBSCJFKRMN-UHFFFAOYSA-N 0 0 228.110 1.657 10 5 BDBERN CC1(C)NOC(c2ccccc2)=C1[N+](=O)[O-] ZINC000000439742 188334349 /nfs/dbraw/zinc/33/43/49/188334349.db2.gz HQTMQZLCTBBGON-UHFFFAOYSA-N 0 0 220.228 1.945 10 5 BDBERN O=[N+]([O-])c1ccccc1[C@H]1CO[C@@H](CO)C1 ZINC000675060133 538485786 /nfs/dbraw/zinc/48/57/86/538485786.db2.gz BIBCJADOERSLBC-RKDXNWHRSA-N 0 0 223.228 1.460 10 5 BDBERN COc1cccc([C@@H](O)[C@@H](C)[N+](=O)[O-])c1 ZINC000584607299 358267926 /nfs/dbraw/zinc/26/79/26/358267926.db2.gz RJLBARYQURHXMB-XCBNKYQSSA-N 0 0 211.217 1.394 10 5 BDBERN C[C@@H]1CC(=O)OC2(CCCCC2)[C@@H]1[N+](=O)[O-] ZINC000584609213 358270601 /nfs/dbraw/zinc/27/06/01/358270601.db2.gz YUIZTQSQOUGBDB-PSASIEDQSA-N 0 0 227.260 1.918 10 5 BDBERN Cn1ncc([N+](=O)[O-])c1[C@@H]1CC=CCCO1 ZINC000584619104 358285504 /nfs/dbraw/zinc/28/55/04/358285504.db2.gz GAIHZQMVCZGXOD-VIFPVBQESA-N 0 0 223.232 1.736 10 5 BDBERN CON1C=CCc2cc([N+](=O)[O-])ccc2C1=O ZINC000584626461 358295796 /nfs/dbraw/zinc/29/57/96/358295796.db2.gz CYPQUJVKHGKRSP-UHFFFAOYSA-N 0 0 234.211 1.668 10 5 BDBERN COc1cc([N+](=O)[O-])ccc1[S@](C)=O ZINC000584626474 358295864 /nfs/dbraw/zinc/29/58/64/358295864.db2.gz DFFGFZQJEOFBSB-AWEZNQCLSA-N 0 0 215.230 1.341 10 5 BDBERN CC(C)(O)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000231423032 358419635 /nfs/dbraw/zinc/41/96/35/358419635.db2.gz RTEBIUZYPTYMEY-VIFPVBQESA-N 0 0 211.217 1.399 10 5 BDBERN Cc1ccc(Cl)c([N+](=O)[O-])c1C(N)=O ZINC000306607282 360550342 /nfs/dbraw/zinc/55/03/42/360550342.db2.gz TWGVFSMPAZEUOC-UHFFFAOYSA-N 0 0 214.608 1.656 10 5 BDBERN COC(=O)c1c(F)cc([N+](=O)[O-])cc1F ZINC000238326550 360875634 /nfs/dbraw/zinc/87/56/34/360875634.db2.gz GIWYTZQNVKXDAO-UHFFFAOYSA-N 0 0 217.127 1.660 10 5 BDBERN O=c1[nH]cc([N+](=O)[O-])cc1OC(F)(F)F ZINC000238709102 361365066 /nfs/dbraw/zinc/36/50/66/361365066.db2.gz RNCCGVCMSDVGOR-UHFFFAOYSA-N 0 0 224.094 1.594 10 5 BDBERN Nc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000052708772 181776816 /nfs/dbraw/zinc/77/68/16/181776816.db2.gz MLEMIMBIXDIKAQ-UHFFFAOYSA-N 0 0 206.161 1.227 10 5 BDBERN C[C@H]1C[C@@H]1NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601034666 371722824 /nfs/dbraw/zinc/72/28/24/371722824.db2.gz GNLBTARJJHHECQ-XPUUQOCRSA-N 0 0 238.218 1.872 10 5 BDBERN C[C@@H]([C@@H](O)c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] ZINC000038674263 372737670 /nfs/dbraw/zinc/73/76/70/372737670.db2.gz TYUOXCOWZWBAMN-IMTBSYHQSA-N 0 0 226.188 1.293 10 5 BDBERN CCc1c[nH]c(=O)c([N+](=O)[O-])c1Cl ZINC000039117998 372872416 /nfs/dbraw/zinc/87/24/16/372872416.db2.gz NMNLXWMDGFSZJI-UHFFFAOYSA-N 0 0 202.597 1.499 10 5 BDBERN O=C(Nc1ccc([N+](=O)[O-])cn1)C(F)(F)F ZINC000005390871 182362920 /nfs/dbraw/zinc/36/29/20/182362920.db2.gz MVLRICCEEDVTRN-UHFFFAOYSA-N 0 0 235.121 1.491 10 5 BDBERN O=Cc1cc(Cn2cc([N+](=O)[O-])cn2)cs1 ZINC000002554540 182863163 /nfs/dbraw/zinc/86/31/63/182863163.db2.gz PSJZQHRJZJEUMQ-UHFFFAOYSA-N 0 0 237.240 1.714 10 5 BDBERN O=Cc1ncn(Cc2ccccc2)c1[N+](=O)[O-] ZINC000039631458 182876854 /nfs/dbraw/zinc/87/68/54/182876854.db2.gz SBXCVTNNZJYOPM-UHFFFAOYSA-N 0 0 231.211 1.652 10 5 BDBERN CCCN(CCO)c1cc(F)ccc1[N+](=O)[O-] ZINC000052121598 169169343 /nfs/dbraw/zinc/16/93/43/169169343.db2.gz LHYDYLWAVUWSRE-UHFFFAOYSA-N 0 0 242.250 1.943 10 5 BDBERN CCCNC(=O)c1cc(N)ccc1[N+](=O)[O-] ZINC000050696920 169250310 /nfs/dbraw/zinc/25/03/10/169250310.db2.gz URDJXYUZWXEPLZ-UHFFFAOYSA-N 0 0 223.232 1.317 10 5 BDBERN CN(CC1CC(O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000091489663 384131293 /nfs/dbraw/zinc/13/12/93/384131293.db2.gz SOQNTLIFSGIHSO-UHFFFAOYSA-N 0 0 236.271 1.802 10 5 BDBERN COC(=O)c1cc(C)nc(Cl)c1[N+](=O)[O-] ZINC000082346476 384190818 /nfs/dbraw/zinc/19/08/18/384190818.db2.gz UYMZCNRHBIFZAK-UHFFFAOYSA-N 0 0 230.607 1.738 10 5 BDBERN C[C@@]1(O)CCN(c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000235476214 384413328 /nfs/dbraw/zinc/41/33/28/384413328.db2.gz IMUAVPUAZOJTDA-LLVKDONJSA-N 0 0 240.234 1.695 10 5 BDBERN O=[N+]([O-])c1ccc(CO)cc1NCc1ccon1 ZINC000302053413 384502593 /nfs/dbraw/zinc/50/25/93/384502593.db2.gz PQWCTZDOBIJADL-UHFFFAOYSA-N 0 0 249.226 1.687 10 5 BDBERN COC[C@H](C)C(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000103356558 384763142 /nfs/dbraw/zinc/76/31/42/384763142.db2.gz ZMWLEJBZTFSZLY-QMMMGPOBSA-N 0 0 239.227 1.783 10 5 BDBERN O=[N+]([O-])C[C@H](O)c1ccc(Br)nc1 ZINC000071973669 384886128 /nfs/dbraw/zinc/88/61/28/384886128.db2.gz VAYAVDYLYQGEJI-LURJTMIESA-N 0 0 247.048 1.154 10 5 BDBERN Nc1cc(OC(F)F)c(O)c([N+](=O)[O-])c1 ZINC000575723215 384902069 /nfs/dbraw/zinc/90/20/69/384902069.db2.gz MOKKOFUVQTVVNM-UHFFFAOYSA-N 0 0 220.131 1.484 10 5 BDBERN CCOC(=O)Cc1c(N)ccc([N+](=O)[O-])c1C ZINC000575727527 384918890 /nfs/dbraw/zinc/91/88/90/384918890.db2.gz WCHQQJMVICVHFO-UHFFFAOYSA-N 0 0 238.243 1.591 10 5 BDBERN COc1cc(N)c(Cl)cc1[N+](=O)[O-] ZINC000084918415 384983299 /nfs/dbraw/zinc/98/32/99/384983299.db2.gz SIRUBYZZMYEMRF-UHFFFAOYSA-N 0 0 202.597 1.839 10 5 BDBERN C[C@H](O)CNc1cc(F)ccc1[N+](=O)[O-] ZINC000052119492 385170035 /nfs/dbraw/zinc/17/00/35/385170035.db2.gz VGEQBVAYUGPSHV-LURJTMIESA-N 0 0 214.196 1.527 10 5 BDBERN Nc1c(Cl)c(F)nc(F)c1[N+](=O)[O-] ZINC000095643042 385432016 /nfs/dbraw/zinc/43/20/16/385432016.db2.gz YNDMMMIIZZYNOG-UHFFFAOYSA-N 0 0 209.539 1.504 10 5 BDBERN CCC[C@@H]1C[C@@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000230874185 385762896 /nfs/dbraw/zinc/76/28/96/385762896.db2.gz WKOQOQBVCWSGHY-APPZFPTMSA-N 0 0 222.248 1.985 10 5 BDBERN O=[N+]([O-])c1c(F)c(OC(F)F)ccc1CO ZINC000575660879 387053115 /nfs/dbraw/zinc/05/31/15/387053115.db2.gz BXBHIDBFJPNWGJ-UHFFFAOYSA-N 0 0 237.133 1.828 10 5 BDBERN O=[N+]([O-])c1cc(F)cc(CO)c1OC(F)F ZINC000575661644 387111821 /nfs/dbraw/zinc/11/18/21/387111821.db2.gz QVZIFGXQXFCNJD-UHFFFAOYSA-N 0 0 237.133 1.828 10 5 BDBERN [NH3+][C@@H](CCF)c1cc([O-])ccc1[N+](=O)[O-] ZINC000575439742 387125861 /nfs/dbraw/zinc/12/58/61/387125861.db2.gz XYBZBELJVGETDN-QMMMGPOBSA-N 0 0 214.196 1.660 10 5 BDBERN CS(=O)(=O)Oc1ccc(F)c([N+](=O)[O-])c1 ZINC000575442717 387147721 /nfs/dbraw/zinc/14/77/21/387147721.db2.gz MVDUKSREZAXNJK-UHFFFAOYSA-N 0 0 235.192 1.072 10 5 BDBERN Cc1cc(OC(F)F)c(CO)cc1[N+](=O)[O-] ZINC000575667297 387315599 /nfs/dbraw/zinc/31/55/99/387315599.db2.gz LXJRTSIAVSEKMQ-UHFFFAOYSA-N 0 0 233.170 1.997 10 5 BDBERN Cc1c(OC(F)F)ccc(C(N)=O)c1[N+](=O)[O-] ZINC000575666492 387317360 /nfs/dbraw/zinc/31/73/60/387317360.db2.gz JIVZYBAMRRKNHQ-UHFFFAOYSA-N 0 0 246.169 1.604 10 5 BDBERN O=[N+]([O-])c1cc(O)c(OC(F)F)cc1CO ZINC000575663296 387270396 /nfs/dbraw/zinc/27/03/96/387270396.db2.gz VVYXEVJJIRRZJP-UHFFFAOYSA-N 0 0 235.142 1.394 10 5 BDBERN CNNc1cc(Br)ccc1[N+](=O)[O-] ZINC000575600306 387357323 /nfs/dbraw/zinc/35/73/23/387357323.db2.gz RTHRCHQFWJZCQI-UHFFFAOYSA-N 0 0 246.064 1.904 10 5 BDBERN O=[N+]([O-])c1cc(O)c(CO)c(Br)c1 ZINC000575691480 387379235 /nfs/dbraw/zinc/37/92/35/387379235.db2.gz MVKNOYUFSJKAKP-UHFFFAOYSA-N 0 0 248.032 1.555 10 5 BDBERN Cc1cc(OC(F)F)c(CO)c([N+](=O)[O-])c1 ZINC000575669103 387327342 /nfs/dbraw/zinc/32/73/42/387327342.db2.gz YJUVWCQVOOIHKV-UHFFFAOYSA-N 0 0 233.170 1.997 10 5 BDBERN COC(=O)c1c(F)cc(OC)cc1[N+](=O)[O-] ZINC000575714973 387429023 /nfs/dbraw/zinc/42/90/23/387429023.db2.gz OLWWRHMWCPCMAB-UHFFFAOYSA-N 0 0 229.163 1.529 10 5 BDBERN COc1cc(N)cc(C(C)=O)c1[N+](=O)[O-] ZINC000575716682 387433922 /nfs/dbraw/zinc/43/39/22/387433922.db2.gz JHEGTKNYIHGAIN-UHFFFAOYSA-N 0 0 210.189 1.388 10 5 BDBERN Nc1cc(O)c(OC(F)F)cc1[N+](=O)[O-] ZINC000575722476 387446310 /nfs/dbraw/zinc/44/63/10/387446310.db2.gz CQOWPUJVUCBECL-UHFFFAOYSA-N 0 0 220.131 1.484 10 5 BDBERN Nc1c(O)ccc([N+](=O)[O-])c1OC(F)F ZINC000575723162 387446367 /nfs/dbraw/zinc/44/63/67/387446367.db2.gz KDCVVAYDSPDTFC-UHFFFAOYSA-N 0 0 220.131 1.484 10 5 BDBERN Nc1c(O)cc(OC(F)F)cc1[N+](=O)[O-] ZINC000575722490 387446817 /nfs/dbraw/zinc/44/68/17/387446817.db2.gz DEAPNIIPKGJGSK-UHFFFAOYSA-N 0 0 220.131 1.484 10 5 BDBERN CCOC(=O)c1cc(N)c(CC)cc1[N+](=O)[O-] ZINC000575724303 387449195 /nfs/dbraw/zinc/44/91/95/387449195.db2.gz FJYYCONCQWXFHZ-UHFFFAOYSA-N 0 0 238.243 1.916 10 5 BDBERN CCOC(=O)c1cc(CC)c(N)cc1[N+](=O)[O-] ZINC000575724252 387449366 /nfs/dbraw/zinc/44/93/66/387449366.db2.gz BYBVBYAEVLSUCE-UHFFFAOYSA-N 0 0 238.243 1.916 10 5 BDBERN CCOc1c(CO)c(OC)ccc1[N+](=O)[O-] ZINC000575698144 387393027 /nfs/dbraw/zinc/39/30/27/387393027.db2.gz DSVMBNUUNBMQDO-UHFFFAOYSA-N 0 0 227.216 1.494 10 5 BDBERN CCOc1cc(OC)c(C(N)=O)cc1[N+](=O)[O-] ZINC000575698571 387395357 /nfs/dbraw/zinc/39/53/57/387395357.db2.gz YKPHFTVEIPIIDU-UHFFFAOYSA-N 0 0 240.215 1.101 10 5 BDBERN CCOc1cc(C(N)=O)c(CC)c([N+](=O)[O-])c1 ZINC000575695475 387395976 /nfs/dbraw/zinc/39/59/76/387395976.db2.gz IQQXMQXEWDXJEC-UHFFFAOYSA-N 0 0 238.243 1.655 10 5 BDBERN CSc1cc(F)cc([N+](=O)[O-])c1CO ZINC000575710090 387413594 /nfs/dbraw/zinc/41/35/94/387413594.db2.gz PJSJKIKMMPBSLT-UHFFFAOYSA-N 0 0 217.221 1.948 10 5 BDBERN CSc1c(F)ccc([N+](=O)[O-])c1CO ZINC000575710895 387414869 /nfs/dbraw/zinc/41/48/69/387414869.db2.gz ZZZKJOZXKPUYKR-UHFFFAOYSA-N 0 0 217.221 1.948 10 5 BDBERN Nc1cc([N+](=O)[O-])cc(OC(F)(F)F)c1O ZINC000575728402 387465175 /nfs/dbraw/zinc/46/51/75/387465175.db2.gz OJBMIPJEKFIHLT-UHFFFAOYSA-N 0 0 238.121 1.781 10 5 BDBERN C[C@@H]1C[C@H]1Nc1cc(CO)ccc1[N+](=O)[O-] ZINC000302039889 388837030 /nfs/dbraw/zinc/83/70/30/388837030.db2.gz NGTWCBCBPONJBH-VXNVDRBHSA-N 0 0 222.244 1.907 10 5 BDBERN CN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@H]1CC1(C)C ZINC000408079357 134388364 /nfs/dbraw/zinc/38/83/64/134388364.db2.gz IPCACYYMFASHOJ-ZETCQYMHSA-N 0 0 238.247 1.188 10 5 BDBERN COc1ccc([N+](=O)[O-])c(OC(F)F)c1CO ZINC000575664602 398061814 /nfs/dbraw/zinc/06/18/14/398061814.db2.gz JJEHMJASVJCNQE-UHFFFAOYSA-N 0 0 249.169 1.697 10 5 BDBERN CCOC(=O)c1cc([N+](=O)[O-])cc(N)c1C ZINC000062350604 170292964 /nfs/dbraw/zinc/29/29/64/170292964.db2.gz HHWCDVAUQKUGBM-UHFFFAOYSA-N 0 0 224.216 1.662 10 5 BDBERN CC[C@H](Nc1ccccc1[N+](=O)[O-])C(N)=O ZINC000310018042 171552310 /nfs/dbraw/zinc/55/23/10/171552310.db2.gz LVHQOMGRIQZOTR-ZETCQYMHSA-N 0 0 223.232 1.271 10 5 BDBERN CCc1nc(-c2ccc(OC)c([N+](=O)[O-])c2)n[nH]1 ZINC000072237725 171938249 /nfs/dbraw/zinc/93/82/49/171938249.db2.gz OHPIYRBTPPRWOD-UHFFFAOYSA-N 0 0 248.242 1.951 10 5 BDBERN CNC(=O)OCc1ccccc1[N+](=O)[O-] ZINC000028021672 173293252 /nfs/dbraw/zinc/29/32/52/173293252.db2.gz KHWCDPQWVYCOHU-UHFFFAOYSA-N 0 0 210.189 1.451 10 5 BDBERN COc1ccc(NCc2nc[nH]n2)c([N+](=O)[O-])c1 ZINC000037920071 175153528 /nfs/dbraw/zinc/15/35/28/175153528.db2.gz UEALRKLLMZDJQZ-UHFFFAOYSA-N 0 0 249.230 1.334 10 5 BDBERN C[C@@H](CO)N(C)c1cc(F)ccc1[N+](=O)[O-] ZINC000124585147 175750571 /nfs/dbraw/zinc/75/05/71/175750571.db2.gz IVYOBXLCRGFFTA-ZETCQYMHSA-N 0 0 228.223 1.551 10 5 BDBERN C[C@@H]1C[C@@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000052303688 176403614 /nfs/dbraw/zinc/40/36/14/176403614.db2.gz SGHBJFCDSXPGMS-MUWHJKNJSA-N 0 0 235.243 1.315 10 5 BDBERN C[C@H](O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000035631814 177016619 /nfs/dbraw/zinc/01/66/19/177016619.db2.gz OYACEVBMZZGXRV-QMMMGPOBSA-N 0 0 233.227 1.834 10 5 BDBERN C[C@H]1C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000075528730 177349247 /nfs/dbraw/zinc/34/92/47/177349247.db2.gz IRAPMWIRWNIYEH-WDSKDSINSA-N 0 0 210.189 1.326 10 5 BDBERN C[S@@](=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000086863206 177492444 /nfs/dbraw/zinc/49/24/44/177492444.db2.gz QULKBWCZXKSONW-ZDUSSCGKSA-N 0 0 219.649 1.986 10 5 BDBERN Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@H]2CO)c1 ZINC000309725192 326165816 /nfs/dbraw/zinc/16/58/16/326165816.db2.gz XPOYCVZUQIVTLL-DTWKUNHWSA-N 0 0 222.244 1.696 10 5 BDBERN C[C@@H](O)c1ccn(Cc2cccc([N+](=O)[O-])c2)n1 ZINC000133795862 591858961 /nfs/dbraw/zinc/85/89/61/591858961.db2.gz UMWNYQLJAWLJDE-SECBINFHSA-N 0 0 247.254 1.893 10 5 BDBERN Cc1cc(N[C@H](C)[C@H](C)O)ncc1[N+](=O)[O-] ZINC000309950740 633972902 /nfs/dbraw/zinc/97/29/02/633972902.db2.gz FXMCUOMTJBZMID-SFYZADRCSA-N 0 0 225.248 1.479 10 5 BDBERN O=Cc1cc([N+](=O)[O-])ccc1-n1ccnc1 ZINC000034938852 636175068 /nfs/dbraw/zinc/17/50/68/636175068.db2.gz UITXILSRMBSAHY-UHFFFAOYSA-N 0 0 217.184 1.593 10 5 BDBERN COCC1CC(Nc2ncccc2[N+](=O)[O-])C1 ZINC000713930025 712473914 /nfs/dbraw/zinc/47/39/14/712473914.db2.gz GIVIYBCFWKVQGB-UHFFFAOYSA-N 0 0 237.259 1.827 10 5 BDBERN CC(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000111690949 712688345 /nfs/dbraw/zinc/68/83/45/712688345.db2.gz SBFGSDJWYZWBBU-JTQLQIEISA-N 0 0 249.270 1.795 10 5 BDBERN Cc1cc(Oc2cnn(C)c2)ncc1[N+](=O)[O-] ZINC000302355284 178215312 /nfs/dbraw/zinc/21/53/12/178215312.db2.gz YWJLLIBFSFSUEB-UHFFFAOYSA-N 0 0 234.215 1.824 10 5 BDBERN Cc1nccn1-c1ncc([N+](=O)[O-])cc1C ZINC000104294435 178273647 /nfs/dbraw/zinc/27/36/47/178273647.db2.gz KLDCDXQVIUEBJL-UHFFFAOYSA-N 0 0 218.216 1.792 10 5 BDBERN Cc1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000104298234 178347782 /nfs/dbraw/zinc/34/77/82/178347782.db2.gz CIWGJCGGKRWENL-UHFFFAOYSA-N 0 0 204.189 1.484 10 5 BDBERN CCCC(=O)Nc1ccc(F)nc1[N+](=O)[O-] ZINC000144422165 342735516 /nfs/dbraw/zinc/73/55/16/342735516.db2.gz BBXPYSXSAHCSKL-UHFFFAOYSA-N 0 0 227.195 1.868 10 5 BDBERN Cn1cc(C=O)c2nc3ccccc3cc2c1=O ZINC000003886838 342739183 /nfs/dbraw/zinc/73/91/83/342739183.db2.gz CNSVXCBJOOVDSK-UHFFFAOYSA-N 0 0 238.246 1.899 10 5 BDBERN COC(=O)c1cc([N+](=O)[O-])cc2c1ccn2O ZINC000043220582 342790932 /nfs/dbraw/zinc/79/09/32/342790932.db2.gz IBHSNCLGFKOOBV-UHFFFAOYSA-N 0 0 236.183 1.573 10 5 BDBERN C[C@H]1OCC[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000134575030 342869239 /nfs/dbraw/zinc/86/92/39/342869239.db2.gz UEDDZKJFNNJEFN-VXNVDRBHSA-N 0 0 223.232 1.579 10 5 BDBERN O=[N+]([O-])c1ccc(Cl)c([C@H](CO)NO)c1 ZINC000308948783 342877818 /nfs/dbraw/zinc/87/78/18/342877818.db2.gz GXHJMCCSTODZKW-QMMMGPOBSA-N 0 0 232.623 1.260 10 5 BDBERN O=[N+]([O-])c1ccnc(CO)c1OC(F)(F)F ZINC000309192154 342907347 /nfs/dbraw/zinc/90/73/47/342907347.db2.gz PANPXUWKWUHTGI-UHFFFAOYSA-N 0 0 238.121 1.381 10 5 BDBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1CCO ZINC000034541864 346909331 /nfs/dbraw/zinc/90/93/31/346909331.db2.gz OCXQLKJLFTYTQK-UHFFFAOYSA-N 0 0 212.161 1.038 10 5 BDBERN CC1=C[C@H](C)[C@@H](c2c([N+](=O)[O-])cnn2C)OC1 ZINC000216876825 342990818 /nfs/dbraw/zinc/99/08/18/342990818.db2.gz HESWFZOMBOKZKV-KWQFWETISA-N 0 0 237.259 1.982 10 5 BDBERN COC(=O)c1cc(OC)cc([N+](=O)[O-])c1C ZINC000043220727 343008751 /nfs/dbraw/zinc/00/87/51/343008751.db2.gz VWJLNIWFAYDRTF-UHFFFAOYSA-N 0 0 225.200 1.698 10 5 BDBERN CCOC(=O)[C@@H]1Cc2c(cccc2[N+](=O)[O-])N1 ZINC000584880928 343081676 /nfs/dbraw/zinc/08/16/76/343081676.db2.gz BBRUVSVFEMOYIA-VIFPVBQESA-N 0 0 236.227 1.495 10 5 BDBERN Cn1ncc2c1ncc([N+](=O)[O-])c2Cl ZINC000165886610 343076127 /nfs/dbraw/zinc/07/61/27/343076127.db2.gz BUPIBUXWZVJRCF-UHFFFAOYSA-N 0 0 212.596 1.530 10 5 BDBERN CCOC(=O)[C@@]1([N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC000114061674 343120196 /nfs/dbraw/zinc/12/01/96/343120196.db2.gz MZFTYSDMOSREIT-ZYHUDNBSSA-N 0 0 235.239 1.753 10 5 BDBERN Cc1ccc2nc3cc(N)ccc3[n+]([O-])c2c1 ZINC000028114039 343127095 /nfs/dbraw/zinc/12/70/95/343127095.db2.gz YPXPBJFLLPWCCC-UHFFFAOYSA-N 0 0 225.251 1.912 10 5 BDBERN NC(=O)N[C@@H](C[N+](=O)[O-])c1ccccc1Cl ZINC000145333598 344029422 /nfs/dbraw/zinc/02/94/22/344029422.db2.gz QMKHBGUQKKUKLO-QMMMGPOBSA-N 0 0 243.650 1.326 10 5 BDBERN Cn1cnc([N+](=O)[O-])c1CN1CCCCC1 ZINC000408306082 344476717 /nfs/dbraw/zinc/47/67/17/344476717.db2.gz BCTPQVDNZJFDJB-UHFFFAOYSA-N 0 0 224.264 1.314 10 5 BDBERN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1C[C@H]1CO ZINC000381615463 344524780 /nfs/dbraw/zinc/52/47/80/344524780.db2.gz VAZUONAZWURQLU-IONNQARKSA-N 0 0 223.232 1.091 10 5 BDBERN Cc1ccc(N2CCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000042434754 178713949 /nfs/dbraw/zinc/71/39/49/178713949.db2.gz GYVOBTIBSJYPDU-SNVBAGLBSA-N 0 0 236.271 1.864 10 5 BDBERN Cc1cc([N+](=O)[O-])ccc1NCc1ncnn1C ZINC000080653233 345393295 /nfs/dbraw/zinc/39/32/95/345393295.db2.gz ABDFYIAGQZNTAK-UHFFFAOYSA-N 0 0 247.258 1.644 10 5 BDBERN Cc1ccc([N+](=O)[O-])c(NCc2ncnn2C)c1 ZINC000088726556 345544832 /nfs/dbraw/zinc/54/48/32/345544832.db2.gz FDYKQPWRFSSTSR-UHFFFAOYSA-N 0 0 247.258 1.644 10 5 BDBERN CCCCCC[C@](O)(C[N+](=O)[O-])C(=O)OCC ZINC000215459437 345848133 /nfs/dbraw/zinc/84/81/33/345848133.db2.gz RSERFLGGPNUZJE-NSHDSACASA-N 0 0 247.291 1.528 10 5 BDBERN O=[N+]([O-])c1cccc(-c2cncnn2)c1 ZINC000219427443 345858330 /nfs/dbraw/zinc/85/83/30/345858330.db2.gz UMGBZWLJRSKALI-UHFFFAOYSA-N 0 0 202.173 1.447 10 5 BDBERN O=[N+]([O-])c1cc([N+](=O)[O-])cc(-n2cncn2)c1 ZINC000034581182 345832870 /nfs/dbraw/zinc/83/28/70/345832870.db2.gz YNFHOROFSGEISY-UHFFFAOYSA-N 0 0 235.159 1.084 10 5 BDBERN COC(=O)c1ccc(C(C)=O)c([N+](=O)[O-])c1 ZINC000142242438 345866628 /nfs/dbraw/zinc/86/66/28/345866628.db2.gz RWLGQQWVBIMMEG-UHFFFAOYSA-N 0 0 223.184 1.584 10 5 BDBERN Cc1ccc([N+](=O)[O-])cc1-c1nnc(CN)o1 ZINC000050283508 178932499 /nfs/dbraw/zinc/93/24/99/178932499.db2.gz JJEXSTGSZWLUFZ-UHFFFAOYSA-N 0 0 234.215 1.412 10 5 BDBERN CC(=O)Oc1cc([N+](=O)[O-])cc(F)c1F ZINC000145204104 345931643 /nfs/dbraw/zinc/93/16/43/345931643.db2.gz MRPRHNMZXWPSHM-UHFFFAOYSA-N 0 0 217.127 1.798 10 5 BDBERN O=c1ccc2c(ccc3ccc(=O)oc32)o1 ZINC000034412640 346267666 /nfs/dbraw/zinc/26/76/66/346267666.db2.gz SRAJWFOWDBHKHJ-UHFFFAOYSA-N 0 0 214.176 1.899 10 5 BDBERN Cc1cccnc1Nc1nc[nH]c(=O)c1[N+](=O)[O-] ZINC000040625957 179395338 /nfs/dbraw/zinc/39/53/38/179395338.db2.gz DTKSHKRPKJWCQY-UHFFFAOYSA-N 0 0 247.214 1.125 10 5 BDBERN C[C@H]1OCC[C@@H]1Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596179683 348455095 /nfs/dbraw/zinc/45/50/95/348455095.db2.gz OIEJTGPIXHGWDD-RQJHMYQMSA-N 0 0 239.231 1.285 10 5 BDBERN C[C@@H]1OCC[C@H]1Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596179681 348455343 /nfs/dbraw/zinc/45/53/43/348455343.db2.gz OIEJTGPIXHGWDD-NKWVEPMBSA-N 0 0 239.231 1.285 10 5 BDBERN C[C@H]1C[C@@H]1Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000308972873 349261806 /nfs/dbraw/zinc/26/18/06/349261806.db2.gz HGZHOFSYOLCYCN-FSPLSTOPSA-N 0 0 208.221 1.392 10 5 BDBERN CCNc1ccc(C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000055379137 191000171 /nfs/dbraw/zinc/00/01/71/191000171.db2.gz AWHBGFKWLAAHEK-UHFFFAOYSA-N 0 0 237.259 1.728 10 5 BDBERN Cc1nn(-c2ccccn2)c(N)c1[N+](=O)[O-] ZINC000043671090 180330420 /nfs/dbraw/zinc/33/04/20/180330420.db2.gz RSTPDOADGCYEEK-UHFFFAOYSA-N 0 0 219.204 1.066 10 5 BDBERN COc1ccc([N+](=O)[O-])c(C2OCCO2)c1 ZINC000080400313 350498810 /nfs/dbraw/zinc/49/88/10/350498810.db2.gz LEJFYDSNJGAHDC-UHFFFAOYSA-N 0 0 225.200 1.649 10 5 BDBERN O=[N+]([O-])c1cnc(Br)c(CO)c1 ZINC000307012042 351418113 /nfs/dbraw/zinc/41/81/13/351418113.db2.gz PPFJMTXMTDXYQW-UHFFFAOYSA-N 0 0 233.021 1.245 10 5 BDBERN O=C1NC[C@@H](c2csc([N+](=O)[O-])c2)N1 ZINC000307153497 351506706 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/nfs/dbraw/zinc/43/63/48/387436348.db2.gz XQIBUBBNAWHTRY-UHFFFAOYSA-N 0 0 210.189 1.388 10 5 BDBERN CCOC(=O)c1cc(N)c([N+](=O)[O-])c(CC)c1 ZINC000575724479 387437302 /nfs/dbraw/zinc/43/73/02/387437302.db2.gz JZTXRUVAZWWSBF-UHFFFAOYSA-N 0 0 238.243 1.916 10 5 BDBERN CCOC(=O)c1cc(N)cc(CC)c1[N+](=O)[O-] ZINC000575724464 387438489 /nfs/dbraw/zinc/43/84/89/387438489.db2.gz IWRICRPJQUQCCU-UHFFFAOYSA-N 0 0 238.243 1.916 10 5 BDBERN COc1cc(N)c(Br)c([N+](=O)[O-])c1 ZINC000575721120 387442506 /nfs/dbraw/zinc/44/25/06/387442506.db2.gz XOMYTZNBKKNHJA-UHFFFAOYSA-N 0 0 247.048 1.948 10 5 BDBERN COc1c(N)cc(Br)cc1[N+](=O)[O-] ZINC000575720727 387442873 /nfs/dbraw/zinc/44/28/73/387442873.db2.gz QZSBJUHVAQRFDO-UHFFFAOYSA-N 0 0 247.048 1.948 10 5 BDBERN Nc1c(O)cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575727401 387461929 /nfs/dbraw/zinc/46/19/29/387461929.db2.gz DGYZBGDLYALQCR-UHFFFAOYSA-N 0 0 222.122 1.901 10 5 BDBERN CCOC(=O)c1cc(C)c([N+](=O)[O-])c(N)c1 ZINC000575725998 387462261 /nfs/dbraw/zinc/46/22/61/387462261.db2.gz KXKVRFFXRPNTQE-UHFFFAOYSA-N 0 0 224.216 1.662 10 5 BDBERN COC(=O)c1ccc([N+](=O)[O-])c(Cl)c1N ZINC000575725569 387458591 /nfs/dbraw/zinc/45/85/91/387458591.db2.gz IDDJHBXEDBRFLB-UHFFFAOYSA-N 0 0 230.607 1.617 10 5 BDBERN CCOc1cc(F)c([N+](=O)[O-])c(C(N)=O)c1 ZINC000575697520 387391006 /nfs/dbraw/zinc/39/10/06/387391006.db2.gz FILLAFMFECVNLN-UHFFFAOYSA-N 0 0 228.179 1.232 10 5 BDBERN CCOc1cc(C=O)cc(OC)c1[N+](=O)[O-] ZINC000575698423 387394478 /nfs/dbraw/zinc/39/44/78/387394478.db2.gz PGJFZBKHWKOOFI-UHFFFAOYSA-N 0 0 225.200 1.815 10 5 BDBERN CCOc1cc(CC)c([N+](=O)[O-])cc1C(N)=O ZINC000575694579 387394665 /nfs/dbraw/zinc/39/46/65/387394665.db2.gz GAIOYQQQYQTITR-UHFFFAOYSA-N 0 0 238.243 1.655 10 5 BDBERN CCOc1c(C=O)c(F)ccc1[N+](=O)[O-] ZINC000575696827 387396890 /nfs/dbraw/zinc/39/68/90/387396890.db2.gz OEXTYAOUMMARLD-UHFFFAOYSA-N 0 0 213.164 1.945 10 5 BDBERN COc1cc([N+](=O)[O-])c(CO)cc1F ZINC000575707505 387410522 /nfs/dbraw/zinc/41/05/22/387410522.db2.gz AZAKPCKLOGKUPB-UHFFFAOYSA-N 0 0 201.153 1.235 10 5 BDBERN COc1c(C(C)=O)ccc(F)c1[N+](=O)[O-] ZINC000575708209 387412552 /nfs/dbraw/zinc/41/25/52/387412552.db2.gz LDXSJUVAFHXRNZ-UHFFFAOYSA-N 0 0 213.164 1.945 10 5 BDBERN COC(=O)c1c(O)cc(Cl)cc1[N+](=O)[O-] ZINC000575712155 387415323 /nfs/dbraw/zinc/41/53/23/387415323.db2.gz DHRQFILKYZKBDY-UHFFFAOYSA-N 0 0 231.591 1.740 10 5 BDBERN CSc1cc(CO)cc([N+](=O)[O-])c1F ZINC000575710143 387415698 /nfs/dbraw/zinc/41/56/98/387415698.db2.gz QDSWAFPNLGNYOL-UHFFFAOYSA-N 0 0 217.221 1.948 10 5 BDBERN CCOC(=O)c1cc(N)c(C)cc1[N+](=O)[O-] ZINC000575727565 387463623 /nfs/dbraw/zinc/46/36/23/387463623.db2.gz WPLHMMRYJNVWSR-UHFFFAOYSA-N 0 0 224.216 1.662 10 5 BDBERN CC1(C)Oc2ccc([N+](=O)[O-])cc2C(=O)O1 ZINC000090662728 388448664 /nfs/dbraw/zinc/44/86/64/388448664.db2.gz BNQYKJNRIMDSEN-UHFFFAOYSA-N 0 0 223.184 1.880 10 5 BDBERN CCc1ccc(CNC(C)=O)cc1[N+](=O)[O-] ZINC000039102355 388407585 /nfs/dbraw/zinc/40/75/85/388407585.db2.gz ATXZMZWPOJQYCX-UHFFFAOYSA-N 0 0 222.244 1.793 10 5 BDBERN COC(=O)c1c(C)cc(C)cc1[N+](=O)[O-] ZINC000095635093 388782441 /nfs/dbraw/zinc/78/24/41/388782441.db2.gz HWSFSPBEOCPHHS-UHFFFAOYSA-N 0 0 209.201 1.998 10 5 BDBERN COC(=O)c1cc(C)c([N+](=O)[O-])s1 ZINC000095764218 388785640 /nfs/dbraw/zinc/78/56/40/388785640.db2.gz ZMPNEFDRDQESSG-UHFFFAOYSA-N 0 0 201.203 1.751 10 5 BDBERN Cc1cccc(N2CCC[C@@H]2CO)c1[N+](=O)[O-] ZINC000218850333 134265162 /nfs/dbraw/zinc/26/51/62/134265162.db2.gz RDGAKCXPNHEPIJ-SNVBAGLBSA-N 0 0 236.271 1.864 10 5 BDBERN C[C@@H]1CN(C)CCN1c1ncccc1[N+](=O)[O-] ZINC000408114071 134396642 /nfs/dbraw/zinc/39/66/42/134396642.db2.gz VUDJRZDUMYHGMA-SECBINFHSA-N 0 0 236.275 1.130 10 5 BDBERN Cc1cnc([C@@H](C)Nc2ncc([N+](=O)[O-])cn2)o1 ZINC000230876448 134534256 /nfs/dbraw/zinc/53/42/56/134534256.db2.gz HKYZEBKYPSQGEJ-SSDOTTSWSA-N 0 0 249.230 1.854 10 5 BDBERN O=[N+]([O-])c1ccc(F)cc1N1CC(CO)C1 ZINC000084988310 135477591 /nfs/dbraw/zinc/47/75/91/135477591.db2.gz DUBREOCBAUELRO-UHFFFAOYSA-N 0 0 226.207 1.162 10 5 BDBERN COC(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000001714257 398022104 /nfs/dbraw/zinc/02/21/04/398022104.db2.gz MXZWMVAHSDGMKB-UHFFFAOYSA-N 0 0 209.201 1.998 10 5 BDBERN CCOC(=O)Cc1cc(OC)cc([N+](=O)[O-])c1 ZINC000260285588 398084054 /nfs/dbraw/zinc/08/40/54/398084054.db2.gz IPZVRUOKJBVESU-UHFFFAOYSA-N 0 0 239.227 1.709 10 5 BDBERN CC(C)Oc1ncnc(N(C)C)c1[N+](=O)[O-] ZINC000040608547 167316394 /nfs/dbraw/zinc/31/63/94/167316394.db2.gz SLPIMKDNWCUPLM-UHFFFAOYSA-N 0 0 226.236 1.238 10 5 BDBERN CC(C)Nc1ncnc(OC(C)C)c1[N+](=O)[O-] ZINC000040597685 167151076 /nfs/dbraw/zinc/15/10/76/167151076.db2.gz LMRWHJLNQGSEMY-UHFFFAOYSA-N 0 0 240.263 1.992 10 5 BDBERN Cn1ncc([N+](=O)[O-])c1C1=CC[C@@H]2O[C@@H]2CC1 ZINC000584645405 411289605 /nfs/dbraw/zinc/28/96/05/411289605.db2.gz TTXBWRLZILJHID-VHSXEESVSA-N 0 0 235.243 1.663 10 5 BDBERN CCOc1cc([N+](=O)[O-])cc2c1OCO2 ZINC000201087630 170529047 /nfs/dbraw/zinc/52/90/47/170529047.db2.gz KVFIQUSVDUMCON-UHFFFAOYSA-N 0 0 211.173 1.722 10 5 BDBERN CC[C@H](C)Nc1ncnc(NC)c1[N+](=O)[O-] ZINC000040596003 171350842 /nfs/dbraw/zinc/35/08/42/171350842.db2.gz CNXVMXAOSQPMNS-LURJTMIESA-N 0 0 225.252 1.637 10 5 BDBERN CN(C)C(=O)CCNc1cccc([N+](=O)[O-])c1 ZINC000037752167 172361885 /nfs/dbraw/zinc/36/18/85/172361885.db2.gz YOMCFFASSDVKJG-UHFFFAOYSA-N 0 0 237.259 1.485 10 5 BDBERN CN(C)C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000039350454 172382596 /nfs/dbraw/zinc/38/25/96/172382596.db2.gz QJZHQJPHPSYDCR-UHFFFAOYSA-N 0 0 224.216 1.793 10 5 biogenic BDBERN CN(C)c1cnc([N+](=O)[O-])c(OC2CC2)c1 ZINC000095722947 172575635 /nfs/dbraw/zinc/57/56/35/172575635.db2.gz NAFWNPDULFXEDP-UHFFFAOYSA-N 0 0 223.232 1.597 10 5 BDBERN CNc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H]2C)c1 ZINC000052302777 173480888 /nfs/dbraw/zinc/48/08/88/173480888.db2.gz KHOMZMOTRHSKCE-XCBNKYQSSA-N 0 0 249.270 1.775 10 5 BDBERN COc1c(OC2CC2)ccnc1[N+](=O)[O-] ZINC000095729503 174935646 /nfs/dbraw/zinc/93/56/46/174935646.db2.gz GRAIZNLWWSUQAY-UHFFFAOYSA-N 0 0 210.189 1.540 10 5 BDBERN COc1cc2[nH]nc(C=O)c2c([N+](=O)[O-])c1 ZINC000042689517 175017673 /nfs/dbraw/zinc/01/76/73/175017673.db2.gz HFVPVBUGMTYFIU-UHFFFAOYSA-N 0 0 221.172 1.292 10 5 BDBERN COc1ccc(OC)c([C@@H](O)C[N+](=O)[O-])c1 ZINC000096300564 175168156 /nfs/dbraw/zinc/16/81/56/175168156.db2.gz QRPRIJUIJFISJN-VIFPVBQESA-N 0 0 227.216 1.014 10 5 BDBERN C[C@@H](O)c1cnn(Cc2cccc([N+](=O)[O-])c2)c1 ZINC000054724417 176000045 /nfs/dbraw/zinc/00/00/45/176000045.db2.gz NGPKGPLARWKXOJ-SECBINFHSA-N 0 0 247.254 1.893 10 5 BDBERN C[C@H](O)[C@H](C)Oc1cccc([N+](=O)[O-])c1 ZINC000087138908 177012347 /nfs/dbraw/zinc/01/23/47/177012347.db2.gz FPEWRURATVMBND-YUMQZZPRSA-N 0 0 211.217 1.743 10 5 BDBERN CCOC(=O)c1cc([N+](=O)[O-])ccc1C=O ZINC000536953298 323960415 /nfs/dbraw/zinc/96/04/15/323960415.db2.gz IWSMTPKHEBUZIU-UHFFFAOYSA-N 0 0 223.184 1.584 10 5 BDBERN CC(C)n1ccc(Cl)c([N+](=O)[O-])c1=O ZINC000095098124 520009044 /nfs/dbraw/zinc/00/90/44/520009044.db2.gz MQPGBSDZIMZXGI-UHFFFAOYSA-N 0 0 216.624 1.991 10 5 BDBERN C[C@@H](O)[C@H](C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000309914909 632678912 /nfs/dbraw/zinc/67/89/12/632678912.db2.gz ORSMPQAZTDHZBI-NKWVEPMBSA-N 0 0 228.223 1.915 10 5 BDBERN O=[N+]([O-])c1cccc(Cl)c1N[C@H]1CNOC1 ZINC000722488827 711759652 /nfs/dbraw/zinc/75/96/52/711759652.db2.gz FTOLPYDGTQVWKG-LURJTMIESA-N 0 0 243.650 1.564 10 5 BDBERN O=[N+]([O-])c1cc(F)c(N[C@H]2CNOC2)c(F)c1 ZINC000722486154 711759387 /nfs/dbraw/zinc/75/93/87/711759387.db2.gz FZZITFNKQNOPRW-YFKPBYRVSA-N 0 0 245.185 1.188 10 5 BDBERN C[C@@H]1CN(c2ccsc2[N+](=O)[O-])C[C@H]1CO ZINC000709328380 712219764 /nfs/dbraw/zinc/21/97/64/712219764.db2.gz XYPGMENOIAZRFP-SFYZADRCSA-N 0 0 242.300 1.721 10 5 BDBERN NN=c1nc(-c2cccc([N+](=O)[O-])c2)cc[nH]1 ZINC000072417041 398137978 /nfs/dbraw/zinc/13/79/78/398137978.db2.gz GUMXOBHUINDWGF-UHFFFAOYSA-N 0 0 231.215 1.337 10 5 BDBERN Cc1ccc(C(=O)Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000050131333 178374564 /nfs/dbraw/zinc/37/45/64/178374564.db2.gz WRHUERBCYSSIAL-UHFFFAOYSA-N 0 0 245.238 1.983 10 5 BDBERN COc1cc2sc(=O)[nH]c2c([N+](=O)[O-])c1 ZINC000043220512 342790871 /nfs/dbraw/zinc/79/08/71/342790871.db2.gz GOYMJHRUZABARX-UHFFFAOYSA-N 0 0 226.213 1.919 10 5 BDBERN C[C@@H]1OCC[C@@H]1Nc1ccncc1[N+](=O)[O-] ZINC000134572635 342869182 /nfs/dbraw/zinc/86/91/82/342869182.db2.gz ZVFRZMREGUMBLG-YUMQZZPRSA-N 0 0 223.232 1.579 10 5 BDBERN C[C@@H]1OCC[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000134575052 342869196 /nfs/dbraw/zinc/86/91/96/342869196.db2.gz UEDDZKJFNNJEFN-IONNQARKSA-N 0 0 223.232 1.579 10 5 BDBERN Cc1ccc([N+](=O)[O-])cc1N1CCOCC1 ZINC000309275878 342944398 /nfs/dbraw/zinc/94/43/98/342944398.db2.gz GWXYJHSQQQJLEH-UHFFFAOYSA-N 0 0 222.244 1.740 10 5 BDBERN CC1=C[C@@H](C)[C@@H](c2c([N+](=O)[O-])cnn2C)OC1 ZINC000216876786 342990688 /nfs/dbraw/zinc/99/06/88/342990688.db2.gz HESWFZOMBOKZKV-KCJUWKMLSA-N 0 0 237.259 1.982 10 5 BDBERN Cc1nn(C)c2ncc([N+](=O)[O-])c(Cl)c12 ZINC000165886882 343076142 /nfs/dbraw/zinc/07/61/42/343076142.db2.gz IJQRLMUCNFNNIZ-UHFFFAOYSA-N 0 0 226.623 1.838 10 5 BDBERN O=[N+]([O-])c1c(CO)ccnc1OC(F)(F)F ZINC000309378954 343345896 /nfs/dbraw/zinc/34/58/96/343345896.db2.gz WYWYAAGFDWWSFR-UHFFFAOYSA-N 0 0 238.121 1.381 10 5 BDBERN COc1c(OC(F)(F)F)ccnc1[N+](=O)[O-] ZINC000309447572 343455111 /nfs/dbraw/zinc/45/51/11/343455111.db2.gz NIRMASRFCQMBJT-UHFFFAOYSA-N 0 0 238.121 1.897 10 5 BDBERN C[S@](=N)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000150202998 343477678 /nfs/dbraw/zinc/47/76/78/343477678.db2.gz ZZTHEKJMJLEGOC-AWEZNQCLSA-N 0 0 214.246 1.771 10 5 BDBERN C[C@H](O)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000198888744 343678208 /nfs/dbraw/zinc/67/82/08/343678208.db2.gz YANYHLFQQYCCPL-OIBJUYFYSA-N 0 0 211.217 1.399 10 5 BDBERN O=Cc1ccnc(OC(F)(F)F)c1[N+](=O)[O-] ZINC000309179273 346977783 /nfs/dbraw/zinc/97/77/83/346977783.db2.gz BGFPCYHSRDNNQY-UHFFFAOYSA-N 0 0 236.105 1.701 10 5 BDBERN Nc1cc(-c2ccccc2[N+](=O)[O-])on1 ZINC000085278509 344516388 /nfs/dbraw/zinc/51/63/88/344516388.db2.gz UFJYVNAKSSDQSQ-UHFFFAOYSA-N 0 0 205.173 1.832 10 5 BDBERN Cn1c2cc([N+](=O)[O-])ccc2sc1=O ZINC000039108917 344847331 /nfs/dbraw/zinc/84/73/31/344847331.db2.gz OUMDRCNQXVDBNU-UHFFFAOYSA-N 0 0 210.214 1.508 10 5 BDBERN O=[N+]([O-])c1ccccc1Cn1cccc1CO ZINC000044199004 344888894 /nfs/dbraw/zinc/88/88/94/344888894.db2.gz KGNOLQDPHBCRMF-UHFFFAOYSA-N 0 0 232.239 1.937 10 5 BDBERN CC(C)/N=c1\ccccn1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000044408598 345054373 /nfs/dbraw/zinc/05/43/73/345054373.db2.gz CGFCLQNOPOFDPJ-ASGAHOKESA-N 0 0 249.270 1.103 10 5 BDBERN O=[N+]([O-])c1cc([C@@H]2CCC[NH2+]C2)ccc1[O-] ZINC000039150091 345367572 /nfs/dbraw/zinc/36/75/72/345367572.db2.gz OLYTYHXZKRUJAS-SECBINFHSA-N 0 0 222.244 1.767 10 5 BDBERN Cc1ccc([N+](=O)[O-])c(SC[C@@H](O)CO)c1 ZINC000084726726 178930197 /nfs/dbraw/zinc/93/01/97/178930197.db2.gz JLODKXFIKVMQJF-QMMMGPOBSA-N 0 0 243.284 1.349 10 5 BDBERN Cc1ccc([N+](=O)[O-])cc1NCCOCCO ZINC000053734812 178933739 /nfs/dbraw/zinc/93/37/39/178933739.db2.gz DNCDOPDHFKSBKT-UHFFFAOYSA-N 0 0 240.259 1.324 10 5 BDBERN O=[N+]([O-])c1cc(CO)c(Cl)cc1F ZINC000034110321 346199757 /nfs/dbraw/zinc/19/97/57/346199757.db2.gz MYEUMUCLVULHAU-UHFFFAOYSA-N 0 0 205.572 1.880 10 5 BDBERN Nc1nc2ccccc2c2ccc(CO)nc12 ZINC000115020016 346186584 /nfs/dbraw/zinc/18/65/84/346186584.db2.gz FWQJNIUTPRPYSB-UHFFFAOYSA-N 0 0 225.251 1.858 10 5 BDBERN CCCc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000034502254 346553313 /nfs/dbraw/zinc/55/33/13/346553313.db2.gz SAVKIDNFZIWZGU-UHFFFAOYSA-N 0 0 233.227 1.784 10 5 BDBERN C[C@H](Nc1ccccc1[N+](=O)[O-])N1CCCC1=O ZINC000198944709 349044464 /nfs/dbraw/zinc/04/44/64/349044464.db2.gz UXOPRSLBLGIJHW-SECBINFHSA-N 0 0 249.270 1.975 10 5 BDBERN O=[N+]([O-])c1ccccc1N[C@H]1CCOC[C@H]1O ZINC000599178363 349120706 /nfs/dbraw/zinc/12/07/06/349120706.db2.gz KIJZTLYLKCRPIO-GXSJLCMTSA-N 0 0 238.243 1.157 10 5 BDBERN O=[N+]([O-])c1ncccc1N[C@@H]1CCC[C@@H](O)C1 ZINC000603865934 350043954 /nfs/dbraw/zinc/04/39/54/350043954.db2.gz UPFHVXXKXOZHJT-RKDXNWHRSA-N 0 0 237.259 1.705 10 5 BDBERN O=[N+]([O-])/C=C/S(=O)(=O)c1ccccc1 ZINC000036438920 350173213 /nfs/dbraw/zinc/17/32/13/350173213.db2.gz LWFNURQMDOMOAV-VOTSOKGWSA-N 0 0 213.214 1.208 10 5 BDBERN COC(=O)c1cc(=O)c2cc([N+](=O)[O-])ccc2o1 ZINC000034224313 350169132 /nfs/dbraw/zinc/16/91/32/350169132.db2.gz SYZKZEQMQPJRKQ-UHFFFAOYSA-N 0 0 249.178 1.488 10 5 BDBERN Cn1nccc1-c1[nH]nc(Cl)c1[N+](=O)[O-] ZINC000725257429 538062774 /nfs/dbraw/zinc/06/27/74/538062774.db2.gz OYZKJYWXAXCSRD-UHFFFAOYSA-N 0 0 227.611 1.372 10 5 BDBERN Cc1nn(C)c(N[C@H]2CCO[C@@H]2C)c1[N+](=O)[O-] ZINC000150026602 180359671 /nfs/dbraw/zinc/35/96/71/180359671.db2.gz AOXYNHHXXWSSAW-SFYZADRCSA-N 0 0 240.263 1.226 10 5 BDBERN Cc1nn(C)c(N[C@@H]2C[C@@H]2C)c1[N+](=O)[O-] ZINC000052291383 180359837 /nfs/dbraw/zinc/35/98/37/180359837.db2.gz HVWCKGRMAALFDF-CAHLUQPWSA-N 0 0 210.237 1.457 10 5 BDBERN COCCN1Cc2cccc([N+](=O)[O-])c2C1=O ZINC000725266680 538096654 /nfs/dbraw/zinc/09/66/54/538096654.db2.gz DZBUNFCHSCIOFE-UHFFFAOYSA-N 0 0 236.227 1.197 10 5 BDBERN O=[N+]([O-])c1cnc(N[C@@H]2C[C@H]2CO)c(Cl)c1 ZINC000309552323 350748524 /nfs/dbraw/zinc/74/85/24/350748524.db2.gz GJDFFRPALOKLQY-YLWLKBPMSA-N 0 0 243.650 1.436 10 5 BDBERN NCC(F)(F)c1ccccc1[N+](=O)[O-] ZINC000137040078 351271241 /nfs/dbraw/zinc/27/12/41/351271241.db2.gz ORVXCCOKDPDRST-UHFFFAOYSA-N 0 0 202.160 1.645 10 5 BDBERN COc1cc2cc(CO)oc2c([N+](=O)[O-])c1 ZINC000222921878 351366539 /nfs/dbraw/zinc/36/65/39/351366539.db2.gz NWKWQMRHXHNVGD-UHFFFAOYSA-N 0 0 223.184 1.842 10 5 BDBERN O=[N+]([O-])c1ccc(C2N=NC(=S)N2)o1 ZINC000034977885 351368576 /nfs/dbraw/zinc/36/85/76/351368576.db2.gz PSKSBKCUDHXBJW-UHFFFAOYSA-N 0 0 212.190 1.262 10 5 BDBERN COc1ccc(CNC2COC2)cc1[N+](=O)[O-] ZINC000094710306 187627942 /nfs/dbraw/zinc/62/79/42/187627942.db2.gz ZSTYRURIJMNALX-UHFFFAOYSA-N 0 0 238.243 1.092 10 5 BDBERN Cn1nc(C=O)c2c1cccc2[N+](=O)[O-] ZINC000299889057 180804881 /nfs/dbraw/zinc/80/48/81/180804881.db2.gz CVGGHZXLUSGOBR-UHFFFAOYSA-N 0 0 205.173 1.294 10 5 BDBERN C/C=C/CN1C(=O)C(=O)c2cc([N+](=O)[O-])ccc21 ZINC000019966811 188282152 /nfs/dbraw/zinc/28/21/52/188282152.db2.gz MIIOLAPDTAZSMZ-NSCUHMNNSA-N 0 0 246.222 1.700 10 5 BDBERN NC(=S)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000083348781 188356095 /nfs/dbraw/zinc/35/60/95/188356095.db2.gz WAZFUULXYBPCSJ-UHFFFAOYSA-N 0 0 216.649 1.882 10 5 BDBERN O=[N+]([O-])c1nn(Cc2cncs2)cc1Cl ZINC000166813253 355851178 /nfs/dbraw/zinc/85/11/78/355851178.db2.gz WDEFHORJXDAMAL-UHFFFAOYSA-N 0 0 244.663 1.950 10 5 BDBERN NC(=O)CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000007468650 181237062 /nfs/dbraw/zinc/23/70/62/181237062.db2.gz CAJHLARCLJPBMH-UHFFFAOYSA-N 0 0 229.623 1.145 10 5 BDBERN O=[N+]([O-])c1cnccc1NC[C@H]1CCC[C@H]1O ZINC000089167194 357039490 /nfs/dbraw/zinc/03/94/90/357039490.db2.gz VCJOEYDZOIOIRQ-LDYMZIIASA-N 0 0 237.259 1.563 10 5 BDBERN O=c1cccnn1-c1ccccc1[N+](=O)[O-] ZINC000584621330 358288580 /nfs/dbraw/zinc/28/85/80/358288580.db2.gz SUMNZRAAIJTDRP-UHFFFAOYSA-N 0 0 217.184 1.141 10 5 BDBERN O=[N+]([O-])[C@H](CO)Cc1ccc(Cl)cc1 ZINC000584629804 358298969 /nfs/dbraw/zinc/29/89/69/358298969.db2.gz AYTAYODHLHBJGF-VIFPVBQESA-N 0 0 215.636 1.520 10 5 BDBERN Nc1nc2c3nc(N)[nH]c3c3ccccc3c2[nH]1 ZINC000584630601 358300586 /nfs/dbraw/zinc/30/05/86/358300586.db2.gz BMHXWTRZSSBVBN-UHFFFAOYSA-N 0 0 238.254 1.418 10 5 BDBERN Nc1cnc([N+](=O)[O-])c(Br)c1 ZINC000306356951 359682288 /nfs/dbraw/zinc/68/22/88/359682288.db2.gz ZCHQIIFDUIWZAR-UHFFFAOYSA-N 0 0 218.010 1.335 10 5 BDBERN Nc1ncc(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000238696289 361180360 /nfs/dbraw/zinc/18/03/60/361180360.db2.gz KLFCBOAPFXFLMA-UHFFFAOYSA-N 0 0 223.110 1.471 10 5 BDBERN CCOC(=O)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000118895454 368344930 /nfs/dbraw/zinc/34/49/30/368344930.db2.gz ZCKVAUOQFVWSKN-UHFFFAOYSA-N 0 0 227.191 1.840 10 5 BDBERN Nc1cc([N+](=O)[O-])ccc1SCCO ZINC000052841882 181691667 /nfs/dbraw/zinc/69/16/67/181691667.db2.gz HWJSJEIJBUZQEZ-UHFFFAOYSA-N 0 0 214.246 1.261 10 5 BDBERN O=[N+]([O-])c1cnc(NCC2CC(O)C2)s1 ZINC000226774408 371740940 /nfs/dbraw/zinc/74/09/40/371740940.db2.gz WIKQULHPKDGKJN-UHFFFAOYSA-N 0 0 229.261 1.234 10 5 BDBERN CCOC(=O)Cc1c(F)c(N)ccc1[N+](=O)[O-] ZINC000217490998 371964316 /nfs/dbraw/zinc/96/43/16/371964316.db2.gz UOHAYQUYPIUEMX-UHFFFAOYSA-N 0 0 242.206 1.422 10 5 BDBERN Nc1c([N+](=O)[O-])cncc1C(F)(F)F ZINC000306207377 372000295 /nfs/dbraw/zinc/00/02/95/372000295.db2.gz XVUISFUEVABSNS-UHFFFAOYSA-N 0 0 207.111 1.591 10 5 BDBERN COc1cc([N+](=O)[O-])c(N)cc1OC(F)F ZINC000059137357 372145287 /nfs/dbraw/zinc/14/52/87/372145287.db2.gz MLCFZCMZGXEYFR-UHFFFAOYSA-N 0 0 234.158 1.787 10 5 BDBERN O=C(Nc1ccc(=O)[nH]c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000336789592 182361382 /nfs/dbraw/zinc/36/13/82/182361382.db2.gz JRFHRGPKJICHDV-UHFFFAOYSA-N 0 0 248.198 1.276 10 5 BDBERN O=C(Nc1ncc([N+](=O)[O-])s1)c1ccoc1 ZINC000049035988 182399253 /nfs/dbraw/zinc/39/92/53/182399253.db2.gz KGPMZTJTZUAJHH-UHFFFAOYSA-N 0 0 239.212 1.897 10 5 BDBERN O=Cc1ccnc([N+](=O)[O-])c1OC1CC1 ZINC000095741569 182873428 /nfs/dbraw/zinc/87/34/28/182873428.db2.gz ICEUXLOWUWMREB-UHFFFAOYSA-N 0 0 208.173 1.344 10 5 BDBERN O=[N+]([O-])c1cccc(-c2ncnc3[nH]cnc32)c1 ZINC000090367565 182943950 /nfs/dbraw/zinc/94/39/50/182943950.db2.gz GKIUTLWTRHWQJY-UHFFFAOYSA-N 0 0 241.210 1.928 10 5 BDBERN CCCS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000033606662 169334961 /nfs/dbraw/zinc/33/49/61/169334961.db2.gz VXRVZVNWVDJRGL-UHFFFAOYSA-N 0 0 229.257 1.779 10 5 BDBERN CC[C@H](NC(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000178702352 384378120 /nfs/dbraw/zinc/37/81/20/384378120.db2.gz NJWHPYUYXGIGIL-VIFPVBQESA-N 0 0 223.232 1.714 10 5 BDBERN CC(=O)c1cc([N+](=O)[O-])cnc1Cl ZINC000071791011 384699568 /nfs/dbraw/zinc/69/95/68/384699568.db2.gz LBSOAPIYGVMPBR-UHFFFAOYSA-N 0 0 200.581 1.846 10 5 BDBERN COC(=O)Cc1c(N)cc(Cl)cc1[N+](=O)[O-] ZINC000575726476 384915881 /nfs/dbraw/zinc/91/58/81/384915881.db2.gz QHXHTQWKVAAFDT-UHFFFAOYSA-N 0 0 244.634 1.546 10 5 BDBERN COC(=O)c1c(F)ccc(C)c1[N+](=O)[O-] ZINC000005380051 385050511 /nfs/dbraw/zinc/05/05/11/385050511.db2.gz BWNLEGADHFMVAO-UHFFFAOYSA-N 0 0 213.164 1.829 10 5 BDBERN C[C@@H]1C[C@H]1Nc1ccc(N)cc1[N+](=O)[O-] ZINC000287954045 385252760 /nfs/dbraw/zinc/25/27/60/385252760.db2.gz QPZRHHXYXBCSFV-HZGVNTEJSA-N 0 0 207.233 1.997 10 5 BDBERN O=c1[nH]c(Cl)nc2cccc([N+](=O)[O-])c12 ZINC000129316646 385779297 /nfs/dbraw/zinc/77/92/97/385779297.db2.gz YSDOOAKOEQHGHG-UHFFFAOYSA-N 0 0 225.591 1.897 10 5 BDBERN C[C@H]1C[C@H]1Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000052291358 385721156 /nfs/dbraw/zinc/72/11/56/385721156.db2.gz KZEJIXSDCZWCCQ-CAHLUQPWSA-N 0 0 234.215 1.951 10 5 BDBERN CCOC(=O)c1cc([N+](=O)[O-])c(N)cc1C ZINC000575432097 387057113 /nfs/dbraw/zinc/05/71/13/387057113.db2.gz FCGISGIFUVRVNS-UHFFFAOYSA-N 0 0 224.216 1.662 10 5 BDBERN O=[N+]([O-])c1cc(F)c(CO)cc1OC(F)F ZINC000575661624 387113107 /nfs/dbraw/zinc/11/31/07/387113107.db2.gz QOFDFCMABZLPEG-UHFFFAOYSA-N 0 0 237.133 1.828 10 5 BDBERN Cc1ccc([N+](=O)[O-])c(CO)c1OC(F)F ZINC000575666048 387311369 /nfs/dbraw/zinc/31/13/69/387311369.db2.gz GLTLAONKVWOHNT-UHFFFAOYSA-N 0 0 233.170 1.997 10 5 BDBERN Cc1cc([N+](=O)[O-])c(CO)cc1OC(F)F ZINC000575666167 387315910 /nfs/dbraw/zinc/31/59/10/387315910.db2.gz HABQQHIQESKUDX-UHFFFAOYSA-N 0 0 233.170 1.997 10 5 BDBERN Cc1cc([N+](=O)[O-])cc(C(N)=O)c1OC(F)F ZINC000575666610 387319706 /nfs/dbraw/zinc/31/97/06/387319706.db2.gz JUJVNJLJOQTAHP-UHFFFAOYSA-N 0 0 246.169 1.604 10 5 BDBERN Cc1ccc([N+](=O)[O-])c(OC(F)F)c1CO ZINC000575668324 387325386 /nfs/dbraw/zinc/32/53/86/387325386.db2.gz VARCOZZZXPEEKS-UHFFFAOYSA-N 0 0 233.170 1.997 10 5 BDBERN CC(=O)c1cc(N)c([N+](=O)[O-])cc1OC(F)F ZINC000575716651 387433401 /nfs/dbraw/zinc/43/34/01/387433401.db2.gz HCLLBPWIDJOIOM-UHFFFAOYSA-N 0 0 246.169 1.981 10 5 BDBERN CCOC(=O)c1cc(O)cc([N+](=O)[O-])c1N ZINC000575724336 387435993 /nfs/dbraw/zinc/43/59/93/387435993.db2.gz BKMCMNGQUNIPKY-UHFFFAOYSA-N 0 0 226.188 1.059 10 5 BDBERN CCOC(=O)c1cc(N)c([N+](=O)[O-])cc1O ZINC000575724530 387437325 /nfs/dbraw/zinc/43/73/25/387437325.db2.gz HLEBHZJEVWKPRN-UHFFFAOYSA-N 0 0 226.188 1.059 10 5 BDBERN CCOC(=O)Cc1ccc(C)c(N)c1[N+](=O)[O-] ZINC000575726022 387461779 /nfs/dbraw/zinc/46/17/79/387461779.db2.gz KZNPABDVDDXIPF-UHFFFAOYSA-N 0 0 238.243 1.591 10 5 BDBERN COc1c(Cl)cc(N)cc1[N+](=O)[O-] ZINC000575720288 387441598 /nfs/dbraw/zinc/44/15/98/387441598.db2.gz KCXNIGCQMLWULB-UHFFFAOYSA-N 0 0 202.597 1.839 10 5 BDBERN COc1cc(N)c(Cl)c([N+](=O)[O-])c1 ZINC000575720154 387441768 /nfs/dbraw/zinc/44/17/68/387441768.db2.gz ICPWFFBPBXQAFR-UHFFFAOYSA-N 0 0 202.597 1.839 10 5 BDBERN Nc1cc([N+](=O)[O-])cc(O)c1OC(F)F ZINC000575723490 387445937 /nfs/dbraw/zinc/44/59/37/387445937.db2.gz ONZKGQTXZDTPBD-UHFFFAOYSA-N 0 0 220.131 1.484 10 5 BDBERN CCOC(=O)Cc1c(N)cc(F)cc1[N+](=O)[O-] ZINC000575724266 387449185 /nfs/dbraw/zinc/44/91/85/387449185.db2.gz CMIREHNQHYWAGQ-UHFFFAOYSA-N 0 0 242.206 1.422 10 5 BDBERN Nc1ccc(O)c([N+](=O)[O-])c1OC(F)(F)F ZINC000575727398 387462324 /nfs/dbraw/zinc/46/23/24/387462324.db2.gz DFRIZXDYMRUFCA-UHFFFAOYSA-N 0 0 238.121 1.781 10 5 BDBERN CCOc1c(F)cc([N+](=O)[O-])cc1C(N)=O ZINC000575697606 387393975 /nfs/dbraw/zinc/39/39/75/387393975.db2.gz XWDDRNHLXCWQDL-UHFFFAOYSA-N 0 0 228.179 1.232 10 5 BDBERN CCOc1cc([N+](=O)[O-])cc(F)c1C=O ZINC000575696784 387396878 /nfs/dbraw/zinc/39/68/78/387396878.db2.gz NIFVZCAFXGLOJV-UHFFFAOYSA-N 0 0 213.164 1.945 10 5 BDBERN CCOC(=O)c1c([N+](=O)[O-])ccc(F)c1OC ZINC000575701574 387405705 /nfs/dbraw/zinc/40/57/05/387405705.db2.gz DZTRAPIVDGKKHC-UHFFFAOYSA-N 0 0 243.190 1.919 10 5 BDBERN COC(=O)c1c(O)cc([N+](=O)[O-])cc1Cl ZINC000575712154 387414815 /nfs/dbraw/zinc/41/48/15/387414815.db2.gz DGNUALFMQQJPRV-UHFFFAOYSA-N 0 0 231.591 1.740 10 5 BDBERN CCOC(=O)Cc1ccc(N)c(F)c1[N+](=O)[O-] ZINC000575725257 387461052 /nfs/dbraw/zinc/46/10/52/387461052.db2.gz VWZUIOLMJFSNRA-UHFFFAOYSA-N 0 0 242.206 1.422 10 5 BDBERN CCOC(=O)Cc1cc([N+](=O)[O-])c(N)cc1C ZINC000575727631 387463083 /nfs/dbraw/zinc/46/30/83/387463083.db2.gz XXYUMWBQRXFBQD-UHFFFAOYSA-N 0 0 238.243 1.591 10 5 BDBERN CCOC(=O)c1cc(C)cc(N)c1[N+](=O)[O-] ZINC000575726240 387463703 /nfs/dbraw/zinc/46/37/03/387463703.db2.gz NEBPBZIMPHXFGO-UHFFFAOYSA-N 0 0 224.216 1.662 10 5 BDBERN Nc1cc(C(F)(F)F)c(O)cc1[N+](=O)[O-] ZINC000575728261 387465466 /nfs/dbraw/zinc/46/54/66/387465466.db2.gz MCUPVXQQSUMETH-UHFFFAOYSA-N 0 0 222.122 1.901 10 5 BDBERN Nc1cc(OC(F)(F)F)cc([N+](=O)[O-])c1O ZINC000575729348 387469867 /nfs/dbraw/zinc/46/98/67/387469867.db2.gz YCYXIBJYILJRKA-UHFFFAOYSA-N 0 0 238.121 1.781 10 5 BDBERN Nc1cc([N+](=O)[O-])cnc1OC(F)(F)F ZINC000238694747 387930148 /nfs/dbraw/zinc/93/01/48/387930148.db2.gz QTNCYJHHRVJCRY-UHFFFAOYSA-N 0 0 223.110 1.471 10 5 BDBERN CCn1ccnc1COc1cccnc1[N+](=O)[O-] ZINC000195516960 388476093 /nfs/dbraw/zinc/47/60/93/388476093.db2.gz XTYCRLFIXOZSSX-UHFFFAOYSA-N 0 0 248.242 1.785 10 5 BDBERN Nc1nnc(-c2ccc(F)c([N+](=O)[O-])c2)s1 ZINC000008727010 388407726 /nfs/dbraw/zinc/40/77/26/388407726.db2.gz RWVCTAOVRABUDH-UHFFFAOYSA-N 0 0 240.219 1.835 10 5 BDBERN C[C@@H]1NC(=O)CC[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000281591577 388805556 /nfs/dbraw/zinc/80/55/56/388805556.db2.gz HCSMUIGVWRWKEO-KWQFWETISA-N 0 0 249.270 1.674 10 5 BDBERN O=C1OC[C@@H](C[N+](=O)[O-])c2ccccc21 ZINC000022064639 388826491 /nfs/dbraw/zinc/82/64/91/388826491.db2.gz UXUUAZVUBCBCFA-SSDOTTSWSA-N 0 0 207.185 1.217 10 5 in-vitro BDBERN C[C@@H]1C[C@@H]1Nc1cc(CO)ccc1[N+](=O)[O-] ZINC000302039886 388837897 /nfs/dbraw/zinc/83/78/97/388837897.db2.gz NGTWCBCBPONJBH-APPZFPTMSA-N 0 0 222.244 1.907 10 5 BDBERN Cc1cc(-c2cc(N)n[nH]2)ccc1[N+](=O)[O-] ZINC000019517719 177682922 /nfs/dbraw/zinc/68/29/22/177682922.db2.gz QVTOPTBIXULZEP-UHFFFAOYSA-N 0 0 218.216 1.876 10 5 BDBERN CC(=O)N1CCC(=O)c2ccc([N+](=O)[O-])cc21 ZINC000299805460 132223010 /nfs/dbraw/zinc/22/30/10/132223010.db2.gz PGZIPZFMYPCXTI-UHFFFAOYSA-N 0 0 234.211 1.534 10 5 BDBERN Cc1cnn(CCNc2ccc([N+](=O)[O-])nc2)c1 ZINC000227526800 134382962 /nfs/dbraw/zinc/38/29/62/134382962.db2.gz SQLAHDGFUOMCQB-UHFFFAOYSA-N 0 0 247.258 1.607 10 5 BDBERN Cc1cc([N+](=O)[O-])cc(OC(F)F)c1C(N)=O ZINC000575669001 398062038 /nfs/dbraw/zinc/06/20/38/398062038.db2.gz WVLHGIHNZFBZNI-UHFFFAOYSA-N 0 0 246.169 1.604 10 5 BDBERN CN1c2ccc([N+](=O)[O-])cc2C2(CCC2)C1=O ZINC000584645653 398055254 /nfs/dbraw/zinc/05/52/54/398055254.db2.gz AWYAHKFRJFKKOU-UHFFFAOYSA-N 0 0 232.239 1.993 10 5 BDBERN CCNC(=O)c1ccc([N+](=O)[O-])c(NC)c1 ZINC000054414386 170102781 /nfs/dbraw/zinc/10/27/81/170102781.db2.gz BUSVELWEZQCOCR-UHFFFAOYSA-N 0 0 223.232 1.386 10 5 BDBERN CCNc1n[nH]c(-c2ccc([N+](=O)[O-])o2)n1 ZINC000012341165 170175594 /nfs/dbraw/zinc/17/55/94/170175594.db2.gz LCVICUZEQMCUFD-UHFFFAOYSA-N 0 0 223.192 1.405 10 5 BDBERN CCOC(=O)[C@H](C)NCc1ccc([N+](=O)[O-])o1 ZINC000049371271 170268104 /nfs/dbraw/zinc/26/81/04/170268104.db2.gz BILZFIVYBYHURH-ZETCQYMHSA-N 0 0 242.231 1.229 10 5 BDBERN CCOC(=O)c1cc2cc([N+](=O)[O-])c[nH]c-2n1 ZINC000067172048 170293861 /nfs/dbraw/zinc/29/38/61/170293861.db2.gz YXIXITZCZXCFQN-UHFFFAOYSA-N 0 0 235.199 1.648 10 5 BDBERN CCOC(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000036448888 170298541 /nfs/dbraw/zinc/29/85/41/170298541.db2.gz GISOWGLYGNGJHV-UHFFFAOYSA-N 0 0 213.164 1.911 10 5 BDBERN CCOC(=O)c1nccc([N+](=O)[O-])c1C ZINC000238284058 170308972 /nfs/dbraw/zinc/30/89/72/170308972.db2.gz VSCQGKHFMUZTAC-UHFFFAOYSA-N 0 0 210.189 1.475 10 5 BDBERN CN1C[C@@H](c2ccc([N+](=O)[O-])cc2)OCC1=O ZINC000090659793 173187577 /nfs/dbraw/zinc/18/75/77/173187577.db2.gz YLHAPEAUFXSDNX-JTQLQIEISA-N 0 0 236.227 1.125 10 5 BDBERN CNCc1noc(-c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000051848554 173399368 /nfs/dbraw/zinc/39/93/68/173399368.db2.gz PCCGVMVEULSDHI-UHFFFAOYSA-N 0 0 248.242 1.673 10 5 BDBERN COC(=O)Cc1cc([N+](=O)[O-])ccc1C ZINC000035635930 173642143 /nfs/dbraw/zinc/64/21/43/173642143.db2.gz PXDGHWZWDUIGSL-UHFFFAOYSA-N 0 0 209.201 1.619 10 5 BDBERN COc1cc2c(cc1[N+](=O)[O-])N(C(C)=O)CC2 ZINC000095930415 175026137 /nfs/dbraw/zinc/02/61/37/175026137.db2.gz MUPVEPBILYQHFK-UHFFFAOYSA-N 0 0 236.227 1.512 10 5 BDBERN COc1ccc(-c2cnc(CN)o2)cc1[N+](=O)[O-] ZINC000075429817 175036193 /nfs/dbraw/zinc/03/61/93/175036193.db2.gz DSRLWVIMDABWAP-UHFFFAOYSA-N 0 0 249.226 1.717 10 5 BDBERN C[C@@H](O)CNc1c(F)c(F)ccc1[N+](=O)[O-] ZINC000053163070 175983598 /nfs/dbraw/zinc/98/35/98/175983598.db2.gz ATYCHSWMUIAQCU-RXMQYKEDSA-N 0 0 232.186 1.666 10 5 BDBERN C[C@@H]1C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000054416649 176403265 /nfs/dbraw/zinc/40/32/65/176403265.db2.gz CHIQFEDXKIMGOI-MUWHJKNJSA-N 0 0 238.218 1.872 10 5 BDBERN C[C@H](CO)Nc1c(F)c(F)ccc1[N+](=O)[O-] ZINC000053163078 176707898 /nfs/dbraw/zinc/70/78/98/176707898.db2.gz SPHSAKWQWZZXRP-RXMQYKEDSA-N 0 0 232.186 1.666 10 5 BDBERN C[C@H](Nc1cccc(F)c1[N+](=O)[O-])C(N)=O ZINC000037420949 176935975 /nfs/dbraw/zinc/93/59/75/176935975.db2.gz UGERKMFNVMGXNL-YFKPBYRVSA-N 0 0 227.195 1.020 10 5 BDBERN C[C@H](O)CN(C)c1cc(F)ccc1[N+](=O)[O-] ZINC000052121671 176973577 /nfs/dbraw/zinc/97/35/77/176973577.db2.gz FHOJXOMHOSVBQY-ZETCQYMHSA-N 0 0 228.223 1.551 10 5 BDBERN C[C@H]1C[C@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000075528733 177384697 /nfs/dbraw/zinc/38/46/97/177384697.db2.gz IRAPMWIRWNIYEH-NTSWFWBYSA-N 0 0 210.189 1.326 10 5 BDBERN C[C@H]1NC(=O)CC[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000281688113 177394018 /nfs/dbraw/zinc/39/40/18/177394018.db2.gz RQEWPKGKMPPBFT-RKDXNWHRSA-N 0 0 249.270 1.674 10 5 BDBERN O=C1NC[C@@H](c2ccccc2[N+](=O)[O-])C12CCC2 ZINC000536950480 323953697 /nfs/dbraw/zinc/95/36/97/323953697.db2.gz IFQVFNAPBVHULI-JTQLQIEISA-N 0 0 246.266 1.979 10 5 BDBERN Nc1c([N+](=O)[O-])cnn1-c1ccc(O)cc1 ZINC000757170374 582549980 /nfs/dbraw/zinc/54/99/80/582549980.db2.gz AEOWXMABDXTOLH-UHFFFAOYSA-N 0 0 220.188 1.068 10 5 BDBERN CC(C)N1c2ccc([N+](=O)[O-])cc2C(=O)C1=O ZINC000757193193 586436583 /nfs/dbraw/zinc/43/65/83/586436583.db2.gz YPDKOCMJZUFRJC-UHFFFAOYSA-N 0 0 234.211 1.533 10 5 BDBERN C[C@@H](O)[C@@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000309041891 631825073 /nfs/dbraw/zinc/82/50/73/631825073.db2.gz LRQVTYUQZGMLGC-RNFRBKRXSA-N 0 0 211.221 1.171 10 5 BDBERN C[C@@H](Nc1ccccc1[N+](=O)[O-])[C@H](C)O ZINC000309057790 631832427 /nfs/dbraw/zinc/83/24/27/631832427.db2.gz VEKUSAPCLVOFBR-SFYZADRCSA-N 0 0 210.233 1.776 10 5 BDBERN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)[C@@H](C)O ZINC000340872615 643465955 /nfs/dbraw/zinc/46/59/55/643465955.db2.gz IUGRPYNATUMUNV-NKWVEPMBSA-N 0 0 242.279 1.301 10 5 BDBERN CSC1CC(Nc2c([N+](=O)[O-])ncn2C)C1 ZINC000708257137 712184599 /nfs/dbraw/zinc/18/45/99/712184599.db2.gz KEEGHZXWPGQNIF-UHFFFAOYSA-N 0 0 242.304 1.634 10 5 BDBERN COCC1CC(Nc2cccnc2[N+](=O)[O-])C1 ZINC000713931246 712473593 /nfs/dbraw/zinc/47/35/93/712473593.db2.gz PYXNDDMSBWJVBH-UHFFFAOYSA-N 0 0 237.259 1.827 10 5 BDBERN Cc1cc2[nH]c(=O)sc2c([N+](=O)[O-])c1 ZINC000034362916 178269724 /nfs/dbraw/zinc/26/97/24/178269724.db2.gz ZGYIOMXBAHBJHU-UHFFFAOYSA-N 0 0 210.214 1.806 10 5 BDBERN Cc1cc([N+](=O)[O-])c(C)cc1OCCC(N)=O ZINC000061192047 178270021 /nfs/dbraw/zinc/27/00/21/178270021.db2.gz UOHONLZVYNTLTD-UHFFFAOYSA-N 0 0 238.243 1.466 10 5 BDBERN Cc1cc([N+](=O)[O-])ccc1-c1nnc(N)o1 ZINC000044747731 178271630 /nfs/dbraw/zinc/27/16/30/178271630.db2.gz DEPJYQUFDGDXTF-UHFFFAOYSA-N 0 0 220.188 1.535 10 5 BDBERN Cc1cc([N+](=O)[O-])ccc1-c1nc(N)n[nH]1 ZINC000044747730 178271634 /nfs/dbraw/zinc/27/16/34/178271634.db2.gz ILJXZIWLWDDJJW-UHFFFAOYSA-N 0 0 219.204 1.271 10 5 BDBERN O=[N+]([O-])c1ccc(O[C@@H]2CCC[C@@H]2O)cc1 ZINC000037695571 538963760 /nfs/dbraw/zinc/96/37/60/538963760.db2.gz MDAMELCGMCPLKH-WDEREUQCSA-N 0 0 223.228 1.887 10 5 BDBERN O=[N+]([O-])c1ccc(O[C@H]2CCC[C@@H]2O)cc1 ZINC000037695573 538963931 /nfs/dbraw/zinc/96/39/31/538963931.db2.gz MDAMELCGMCPLKH-QWRGUYRKSA-N 0 0 223.228 1.887 10 5 BDBERN O=[N+]([O-])c1cnccc1N[C@H]1CCC[C@@H](O)C1 ZINC000608973011 342856025 /nfs/dbraw/zinc/85/60/25/342856025.db2.gz ZCRNIEMJMGLPEJ-DTWKUNHWSA-N 0 0 237.259 1.127 10 5 BDBERN O=[N+]([O-])c1ccc2nnc(C(F)(F)Cl)n2c1 ZINC000575433926 398327870 /nfs/dbraw/zinc/32/78/70/398327870.db2.gz WPZCEXAFVYPQTP-UHFFFAOYSA-N 0 0 248.576 1.926 10 5 BDBERN Cn1ncc([N+](=O)[O-])c1[C@H]1CCC=CCO1 ZINC000216873819 342990557 /nfs/dbraw/zinc/99/05/57/342990557.db2.gz FMDVWIMPSIIPCZ-SECBINFHSA-N 0 0 223.232 1.736 10 5 BDBERN O=C([O-])[C@H]1CC[C@H](c2ccc([N+](=O)[O-])cc2)[NH2+]1 ZINC000584880459 343081009 /nfs/dbraw/zinc/08/10/09/343081009.db2.gz CMDNFCORZWYKCR-NXEZZACHSA-N 0 0 236.227 1.473 10 5 BDBERN COC(=O)/C=C/c1ccc(F)c([N+](=O)[O-])c1 ZINC000036449216 343319302 /nfs/dbraw/zinc/31/93/02/343319302.db2.gz YQWIWXOIMLZUJQ-HWKANZROSA-N 0 0 225.175 1.920 10 5 BDBERN COc1ccc(/C=C/[N+](=O)[O-])c(C=O)c1 ZINC000205091460 343617635 /nfs/dbraw/zinc/61/76/35/343617635.db2.gz NIIPBVRKUUNOFE-SNAWJCMRSA-N 0 0 207.185 1.755 10 5 BDBERN NC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000204909395 343604842 /nfs/dbraw/zinc/60/48/42/343604842.db2.gz HQYLPIQROVJOKO-UHFFFAOYSA-N 0 0 238.228 1.695 10 5 BDBERN C[C@@H]1OCC[C@H]1Nc1cccnc1[N+](=O)[O-] ZINC000159006761 346959753 /nfs/dbraw/zinc/95/97/53/346959753.db2.gz LHWRWFCLYQLAQO-JGVFFNPUSA-N 0 0 223.232 1.579 10 5 BDBERN Nc1c([N+](=O)[O-])ccc(F)c1[N+](=O)[O-] ZINC000216113428 344139525 /nfs/dbraw/zinc/13/95/25/344139525.db2.gz UBJDWEUMUGDUEP-UHFFFAOYSA-N 0 0 201.113 1.224 10 5 BDBERN Nc1cc(-c2cccc([N+](=O)[O-])c2)on1 ZINC000085278628 344517055 /nfs/dbraw/zinc/51/70/55/344517055.db2.gz XDXJHLOBOBQZIM-UHFFFAOYSA-N 0 0 205.173 1.832 10 5 BDBERN COC(=O)c1ccc([N+](=O)[O-])c(C)c1F ZINC000220678142 344565883 /nfs/dbraw/zinc/56/58/83/344565883.db2.gz ZYRBQPFGWZEMJS-UHFFFAOYSA-N 0 0 213.164 1.829 10 5 BDBERN Cc1ccc(Nc2ncnc(N)c2[N+](=O)[O-])nc1 ZINC000040608804 178781864 /nfs/dbraw/zinc/78/18/64/178781864.db2.gz PDOMQCZYXDWMNE-UHFFFAOYSA-N 0 0 246.230 1.414 10 5 BDBERN O=[N+]([O-])c1cc(OC(F)(F)F)ccn1 ZINC000238538731 345073043 /nfs/dbraw/zinc/07/30/43/345073043.db2.gz SPEFTJMIORZLOW-UHFFFAOYSA-N 0 0 208.095 1.888 10 5 BDBERN Nc1cccc(OC(F)F)c1[N+](=O)[O-] ZINC000238627734 345097281 /nfs/dbraw/zinc/09/72/81/345097281.db2.gz REYDRFANDPJJNT-UHFFFAOYSA-N 0 0 204.132 1.778 10 5 BDBERN CNC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000128125508 345102506 /nfs/dbraw/zinc/10/25/06/345102506.db2.gz YNGWYLBTDWQRNE-UHFFFAOYSA-N 0 0 216.143 1.233 10 5 BDBERN Nc1[nH]nc2c1cc([N+](=O)[O-])c(F)c2F ZINC000140191947 345807255 /nfs/dbraw/zinc/80/72/55/345807255.db2.gz ZFWKYYCFQXELET-UHFFFAOYSA-N 0 0 214.131 1.332 10 5 BDBERN C[C@@H]1CC(=O)N[C@H](c2ccccc2)[C@H]1[N+](=O)[O-] ZINC000257352157 345773333 /nfs/dbraw/zinc/77/33/33/345773333.db2.gz JOMJJSQKSCKHRY-FXAINCCUSA-N 0 0 234.255 1.529 10 5 BDBERN O=[N+]([O-])c1cc(F)c([N+](=O)[O-])cc1F ZINC000140878704 345858572 /nfs/dbraw/zinc/85/85/72/345858572.db2.gz KJACNOJDSFUVGP-UHFFFAOYSA-N 0 0 204.088 1.781 10 5 BDBERN Cc1[nH]c(-c2ccc([N+](=O)[O-])cc2)cc1C(N)=O ZINC000220862544 345862449 /nfs/dbraw/zinc/86/24/49/345862449.db2.gz RUUBFRRCCWTOFT-UHFFFAOYSA-N 0 0 245.238 1.997 10 5 BDBERN Cc1cc(NN)c(Br)cc1[N+](=O)[O-] ZINC000235782218 345870324 /nfs/dbraw/zinc/87/03/24/345870324.db2.gz XVGCJTIFNTXBPO-UHFFFAOYSA-N 0 0 246.064 1.951 10 5 BDBERN COc1cc([N+](=O)[O-])cc2sc(=O)[nH]c21 ZINC000096320669 346112228 /nfs/dbraw/zinc/11/22/28/346112228.db2.gz CNWHNMRTYGCFIL-UHFFFAOYSA-N 0 0 226.213 1.506 10 5 BDBERN CCOC(=O)c1cc2[nH]cc([N+](=O)[O-])cc-2n1 ZINC000096320722 346112331 /nfs/dbraw/zinc/11/23/31/346112331.db2.gz RVVNDBLNTAYFLP-UHFFFAOYSA-N 0 0 235.199 1.648 10 5 BDBERN C[C@H]1C[C@@H]1Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596107346 348440955 /nfs/dbraw/zinc/44/09/55/348440955.db2.gz HHJFOHNQRTWUEN-FSPLSTOPSA-N 0 0 209.205 1.516 10 5 BDBERN C[C@H]1C[C@H]1Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596107345 348440961 /nfs/dbraw/zinc/44/09/61/348440961.db2.gz HHJFOHNQRTWUEN-CAHLUQPWSA-N 0 0 209.205 1.516 10 5 BDBERN O=C1NCC[C@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC000596310364 348503624 /nfs/dbraw/zinc/50/36/24/348503624.db2.gz BBUUPKLYHHQVEL-MRVPVSSYSA-N 0 0 239.206 1.034 10 5 BDBERN CCn1nc(C)c([N+](=O)[O-])c1N1CC=CCN1 ZINC000599112997 349099440 /nfs/dbraw/zinc/09/94/40/349099440.db2.gz VHSUPNHXNOZPHB-UHFFFAOYSA-N 0 0 237.263 1.000 10 5 BDBERN O=[N+]([O-])c1ccc(N[C@H]2CCOC[C@H]2O)cc1 ZINC000599178740 349121578 /nfs/dbraw/zinc/12/15/78/349121578.db2.gz ODBXRTQVGAHUOL-WDEREUQCSA-N 0 0 238.243 1.157 10 5 BDBERN Nc1nc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2o1 ZINC000725261846 538088049 /nfs/dbraw/zinc/08/80/49/538088049.db2.gz KACRLMJMVYTEPG-UHFFFAOYSA-N 0 0 224.132 1.226 10 5 BDBERN Cc1nn(C)c(Oc2cnn(C)c2)c1[N+](=O)[O-] ZINC000302355327 180362022 /nfs/dbraw/zinc/36/20/22/180362022.db2.gz YYIHEVWZYZAOPK-UHFFFAOYSA-N 0 0 237.219 1.163 10 5 BDBERN CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1CO ZINC000014986157 350494958 /nfs/dbraw/zinc/49/49/58/350494958.db2.gz DQZBXYQYLBQSDK-UHFFFAOYSA-N 0 0 244.634 1.699 10 5 BDBERN Cc1nc(OC(F)F)ccc1[N+](=O)[O-] ZINC000221968949 259417167 /nfs/dbraw/zinc/41/71/67/259417167.db2.gz LVWUDYKBCYGGNA-UHFFFAOYSA-N 0 0 204.132 1.900 10 5 BDBERN COc1cc([N+](=O)[O-])c(OC)cc1F ZINC000307029685 351430835 /nfs/dbraw/zinc/43/08/35/351430835.db2.gz OMSTVEHWTZPGBQ-UHFFFAOYSA-N 0 0 201.153 1.751 10 5 BDBERN NC(=O)c1ncc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000218273098 351478161 /nfs/dbraw/zinc/47/81/61/351478161.db2.gz KYYLNFYKYIDHFG-UHFFFAOYSA-N 0 0 235.121 1.108 10 5 BDBERN NOc1c(Br)cccc1[N+](=O)[O-] ZINC000307204345 351604353 /nfs/dbraw/zinc/60/43/53/351604353.db2.gz FQZBTBZLGBEJMT-UHFFFAOYSA-N 0 0 233.021 1.610 10 5 BDBERN CCc1nc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000040175802 352193450 /nfs/dbraw/zinc/19/34/50/352193450.db2.gz HCHYPAZAMQXPLD-UHFFFAOYSA-N 0 0 218.216 1.942 10 5 BDBERN COC[C@H](C)Nc1nc(Cl)ncc1[N+](=O)[O-] ZINC000004243380 354815273 /nfs/dbraw/zinc/81/52/73/354815273.db2.gz WHOQQHCFCYQWPC-YFKPBYRVSA-N 0 0 246.654 1.485 10 5 BDBERN Nc1n[nH]c2cc(C(F)(F)F)cc([N+](=O)[O-])c12 ZINC000584617987 358283605 /nfs/dbraw/zinc/28/36/05/358283605.db2.gz ZOVOAZOYYRFSKW-UHFFFAOYSA-N 0 0 246.148 1.902 10 5 BDBERN Nc1cc([N+](=O)[O-])ncc1C(F)(F)F ZINC000306280082 359508493 /nfs/dbraw/zinc/50/84/93/359508493.db2.gz BWJMESDGTUBAJC-UHFFFAOYSA-N 0 0 207.111 1.591 10 5 BDBERN NC(=S)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000034476573 181315109 /nfs/dbraw/zinc/31/51/09/181315109.db2.gz RUMNAKVKKSNMBQ-SNAWJCMRSA-N 0 0 208.242 1.894 10 5 BDBERN Nc1c(CO)cc(Br)cc1[N+](=O)[O-] ZINC000238668246 361175468 /nfs/dbraw/zinc/17/54/68/361175468.db2.gz OTWXTDDSKKOOOA-UHFFFAOYSA-N 0 0 247.048 1.432 10 5 BDBERN O=c1cc(OC(F)(F)F)c([N+](=O)[O-])c[nH]1 ZINC000238707249 361364448 /nfs/dbraw/zinc/36/44/48/361364448.db2.gz JHCVIZBGYZIABU-UHFFFAOYSA-N 0 0 224.094 1.594 10 5 BDBERN CS(C)(=O)=Nc1cccc([N+](=O)[O-])c1 ZINC000220420419 368400921 /nfs/dbraw/zinc/40/09/21/368400921.db2.gz HPFULSZXGOMERV-UHFFFAOYSA-N 0 0 214.246 1.954 10 5 BDBERN Cn1cc(C=O)c2c1cccc2[N+](=O)[O-] ZINC000223286895 368402407 /nfs/dbraw/zinc/40/24/07/368402407.db2.gz RYBBIQHNOCGFHP-UHFFFAOYSA-N 0 0 204.185 1.899 10 5 BDBERN Nc1cccc2nc3cccc(N)c3nc12 ZINC000005161746 369006080 /nfs/dbraw/zinc/00/60/80/369006080.db2.gz QWENODQIHKWVQV-UHFFFAOYSA-N 0 0 210.240 1.947 10 5 BDBERN Nc1nc(-c2ccccc2[N+](=O)[O-])ns1 ZINC000044732054 181776864 /nfs/dbraw/zinc/77/68/64/181776864.db2.gz OZQGQYBECGUFBT-UHFFFAOYSA-N 0 0 222.229 1.696 10 5 BDBERN CS(C)(=O)=Nc1ccc([N+](=O)[O-])cc1 ZINC000039239102 372911463 /nfs/dbraw/zinc/91/14/63/372911463.db2.gz XAFHVVKXEWGDPC-UHFFFAOYSA-N 0 0 214.246 1.954 10 5 BDBERN O=C1NC(=O)[C@@]2(c3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000039332063 372945272 /nfs/dbraw/zinc/94/52/72/372945272.db2.gz CZGLQVJHGXNWHV-GZMMTYOYSA-N 0 0 232.195 1.349 10 5 BDBERN O=C(Nc1ccc(=O)[nH]c1)c1ccc([N+](=O)[O-])o1 ZINC000336791130 182360521 /nfs/dbraw/zinc/36/05/21/182360521.db2.gz MQPOGYQIGVRDDX-UHFFFAOYSA-N 0 0 249.182 1.541 10 5 BDBERN O=Cc1nn([C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000090669502 182876090 /nfs/dbraw/zinc/87/60/90/182876090.db2.gz JNXUHFBJQROOSR-VIFPVBQESA-N 0 0 225.204 1.303 10 5 BDBERN O=[N+]([O-])c1c2ncsc2ccc1NCCO ZINC000035344675 182920940 /nfs/dbraw/zinc/92/09/40/182920940.db2.gz UXNXQIMHKLMPOM-UHFFFAOYSA-N 0 0 239.256 1.609 10 5 BDBERN O=c1ccc2cc3ccc(=O)oc3cc2o1 ZINC000000517843 183000890 /nfs/dbraw/zinc/00/08/90/183000890.db2.gz PMLMHGKSGPOBAX-UHFFFAOYSA-N 0 0 214.176 1.899 10 5 BDBERN O=c1ncc(-c2cccc([N+](=O)[O-])c2)c[nH]1 ZINC000065344643 183012250 /nfs/dbraw/zinc/01/22/50/183012250.db2.gz DRDJGXLEUULGFN-UHFFFAOYSA-N 0 0 217.184 1.345 10 5 BDBERN Cc1nnc(COc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000072236755 384844605 /nfs/dbraw/zinc/84/46/05/384844605.db2.gz SPLIKFQFTIAZTQ-UHFFFAOYSA-N 0 0 234.215 1.600 10 5 BDBERN CCOC(=O)c1c(O)ccc(N)c1[N+](=O)[O-] ZINC000575724353 384908935 /nfs/dbraw/zinc/90/89/35/384908935.db2.gz CJCVBTRUDFPOCI-UHFFFAOYSA-N 0 0 226.188 1.059 10 5 BDBERN CC[C@@H](NC(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000175826682 384978326 /nfs/dbraw/zinc/97/83/26/384978326.db2.gz DXSVWTONDVGWGU-SNVBAGLBSA-N 0 0 237.259 1.975 10 5 BDBERN C[C@@]1(F)CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000408049254 385184096 /nfs/dbraw/zinc/18/40/96/385184096.db2.gz XGXJTINATLUJCU-SNVBAGLBSA-N 0 0 225.223 1.928 10 5 BDBERN O=Cc1n[nH]c2cc(Cl)cc([N+](=O)[O-])c12 ZINC000014986137 386030645 /nfs/dbraw/zinc/03/06/45/386030645.db2.gz IVOVYPDWDQYNKB-UHFFFAOYSA-N 0 0 225.591 1.937 10 5 BDBERN Cc1ccc(SC[C@@H](O)CO)c([N+](=O)[O-])c1 ZINC000086659893 386267520 /nfs/dbraw/zinc/26/75/20/386267520.db2.gz RLFUGNDJMRRGAI-QMMMGPOBSA-N 0 0 243.284 1.349 10 5 BDBERN O=[N+]([O-])c1cc(CO)cc(F)c1OC(F)F ZINC000575660926 387051641 /nfs/dbraw/zinc/05/16/41/387051641.db2.gz DCVFQKZUADQIJE-UHFFFAOYSA-N 0 0 237.133 1.828 10 5 BDBERN O=[N+]([O-])c1cc(OC(F)F)cc(CO)c1F ZINC000575661315 387068975 /nfs/dbraw/zinc/06/89/75/387068975.db2.gz LHIUGHNZTQPJOY-UHFFFAOYSA-N 0 0 237.133 1.828 10 5 BDBERN O=[N+]([O-])c1c(CO)ccc(F)c1OC(F)F ZINC000575661631 387113327 /nfs/dbraw/zinc/11/33/27/387113327.db2.gz QUHNUKGKCIDPOV-UHFFFAOYSA-N 0 0 237.133 1.828 10 5 BDBERN COC(=O)[C@H]1Cc2cccc([N+](=O)[O-])c2C1 ZINC000071624377 387122765 /nfs/dbraw/zinc/12/27/65/387122765.db2.gz 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247.048 1.948 10 5 BDBERN COc1cc(OC(F)F)c(N)cc1[N+](=O)[O-] ZINC000575720588 387443539 /nfs/dbraw/zinc/44/35/39/387443539.db2.gz ATMWUSMKATVWDA-UHFFFAOYSA-N 0 0 234.158 1.787 10 5 BDBERN COc1cc(OC(F)F)c([N+](=O)[O-])cc1N ZINC000575721789 387444124 /nfs/dbraw/zinc/44/41/24/387444124.db2.gz ZDRTXGYVPGZDDH-UHFFFAOYSA-N 0 0 234.158 1.787 10 5 BDBERN COc1cc(OC(F)F)cc(N)c1[N+](=O)[O-] ZINC000575721473 387444913 /nfs/dbraw/zinc/44/49/13/387444913.db2.gz PWWNKMYPWALDMC-UHFFFAOYSA-N 0 0 234.158 1.787 10 5 BDBERN COc1cc(OC(F)F)cc([N+](=O)[O-])c1N ZINC000575721625 387445347 /nfs/dbraw/zinc/44/53/47/387445347.db2.gz UUCIPKLKGGVXSJ-UHFFFAOYSA-N 0 0 234.158 1.787 10 5 BDBERN CCOC(=O)c1cc(CC)c([N+](=O)[O-])cc1N ZINC000575724213 387447747 /nfs/dbraw/zinc/44/77/47/387447747.db2.gz AABJHAVSNOPFFG-UHFFFAOYSA-N 0 0 238.243 1.916 10 5 BDBERN CCOc1cc(C(N)=O)cc(CC)c1[N+](=O)[O-] ZINC000575697565 387392679 /nfs/dbraw/zinc/39/26/79/387392679.db2.gz ZCLBPPLBGTZZLJ-UHFFFAOYSA-N 0 0 238.243 1.655 10 5 BDBERN CCOc1cc(CO)c(F)cc1[N+](=O)[O-] ZINC000575697767 387394722 /nfs/dbraw/zinc/39/47/22/387394722.db2.gz KXLYBGMCIVXIJK-UHFFFAOYSA-N 0 0 215.180 1.625 10 5 BDBERN CCOc1cc(F)c([N+](=O)[O-])c(CO)c1 ZINC000575697682 387397605 /nfs/dbraw/zinc/39/76/05/387397605.db2.gz GPNWWESAYUTLQD-UHFFFAOYSA-N 0 0 215.180 1.625 10 5 BDBERN CCOC(=O)c1ccc([N+](=O)[O-])c(F)c1OC ZINC000575702503 387407310 /nfs/dbraw/zinc/40/73/10/387407310.db2.gz QOLURLPBLCFGGH-UHFFFAOYSA-N 0 0 243.190 1.919 10 5 BDBERN CSc1c(CO)ccc([N+](=O)[O-])c1F ZINC000575710700 387415093 /nfs/dbraw/zinc/41/50/93/387415093.db2.gz UEJPROCERLBRFD-UHFFFAOYSA-N 0 0 217.221 1.948 10 5 BDBERN COC(=O)Cc1cc(OC)cc([N+](=O)[O-])c1F ZINC000575714086 387419371 /nfs/dbraw/zinc/41/93/71/387419371.db2.gz CVJLFPYBGANJGU-UHFFFAOYSA-N 0 0 243.190 1.458 10 5 BDBERN Nc1cc([N+](=O)[O-])c(C(F)(F)F)cc1O ZINC000575728508 387466374 /nfs/dbraw/zinc/46/63/74/387466374.db2.gz QLFOXDAYGUJEFT-UHFFFAOYSA-N 0 0 222.122 1.901 10 5 BDBERN COC(=O)c1ccc(N)c(C)c1[N+](=O)[O-] ZINC000039084165 388407405 /nfs/dbraw/zinc/40/74/05/388407405.db2.gz ILYQTOOVQVFUCB-UHFFFAOYSA-N 0 0 210.189 1.272 10 5 BDBERN COC(=O)c1cc(N)c([N+](=O)[O-])cc1C ZINC000039084189 388407435 /nfs/dbraw/zinc/40/74/35/388407435.db2.gz CIOLBXFIRSNSRA-UHFFFAOYSA-N 0 0 210.189 1.272 10 5 BDBERN C[C@H](O)CCNc1cc(CO)ccc1[N+](=O)[O-] ZINC000302024814 388834743 /nfs/dbraw/zinc/83/47/43/388834743.db2.gz HGHOZZDAPNEAAU-QMMMGPOBSA-N 0 0 240.259 1.270 10 5 BDBERN C[C@@]1(F)CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000408047661 133467114 /nfs/dbraw/zinc/46/71/14/133467114.db2.gz HWGQAIIWALAQGS-SNVBAGLBSA-N 0 0 225.223 1.928 10 5 BDBERN Cc1cccc(N(C)[C@@H](C)CO)c1[N+](=O)[O-] ZINC000218871003 134265606 /nfs/dbraw/zinc/26/56/06/134265606.db2.gz NZZSVZRLBMVBSN-VIFPVBQESA-N 0 0 224.260 1.720 10 5 BDBERN CCOC(=O)Cc1cc([N+](=O)[O-])cc(N)c1F ZINC000575724622 398069624 /nfs/dbraw/zinc/06/96/24/398069624.db2.gz MJZVDCUCVXMCCN-UHFFFAOYSA-N 0 0 242.206 1.422 10 5 BDBERN CCOC(=O)c1cc([N+](=O)[O-])c(CC)cc1N ZINC000575724701 398069751 /nfs/dbraw/zinc/06/97/51/398069751.db2.gz QGOITILXAWKFDC-UHFFFAOYSA-N 0 0 238.243 1.916 10 5 BDBERN CC(C)CCNc1ncnc(N)c1[N+](=O)[O-] ZINC000026802595 166870656 /nfs/dbraw/zinc/87/06/56/166870656.db2.gz WPWIPKVNXUCLGJ-UHFFFAOYSA-N 0 0 225.252 1.425 10 5 BDBERN CC(C)Oc1ncnc(Cl)c1[N+](=O)[O-] ZINC000040571448 167316081 /nfs/dbraw/zinc/31/60/81/167316081.db2.gz KMJAACKAUZVXSS-UHFFFAOYSA-N 0 0 217.612 1.825 10 5 BDBERN CCOC(=O)[C@@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000034611205 170248440 /nfs/dbraw/zinc/24/84/40/170248440.db2.gz XABYMWPTKQMLQF-SSDOTTSWSA-N 0 0 239.231 1.353 10 5 BDBERN CCOC(=O)c1cc(COC)cc([N+](=O)[O-])c1 ZINC000035333593 170291382 /nfs/dbraw/zinc/29/13/82/170291382.db2.gz VJCGFXHPCGIFRX-UHFFFAOYSA-N 0 0 239.227 1.918 10 5 BDBERN CN(C(=O)c1cc(N)ccc1[N+](=O)[O-])C1CC1 ZINC000050701190 172338141 /nfs/dbraw/zinc/33/81/41/172338141.db2.gz VZQFBQDVDFYIAM-UHFFFAOYSA-N 0 0 235.243 1.411 10 5 BDBERN COC(=O)CCOc1cc([N+](=O)[O-])ccc1C ZINC000035677978 173565590 /nfs/dbraw/zinc/56/55/90/173565590.db2.gz MBTITFBAIYMVIW-UHFFFAOYSA-N 0 0 239.227 1.845 10 5 BDBERN COc1ccc([N+](=O)[O-])cc1NCc1ncc[nH]1 ZINC000049715162 175201163 /nfs/dbraw/zinc/20/11/63/175201163.db2.gz YVBQXLJDJHFWDM-UHFFFAOYSA-N 0 0 248.242 1.939 10 5 BDBERN COc1cccc(-c2ncc([N+](=O)[O-])c(N)n2)c1 ZINC000090554786 175237294 /nfs/dbraw/zinc/23/72/94/175237294.db2.gz YUDYNGDJCQCOJJ-UHFFFAOYSA-N 0 0 246.226 1.643 10 5 BDBERN C[C@@H](c1ccccc1[N+](=O)[O-])n1nccc1N ZINC000020526330 176026151 /nfs/dbraw/zinc/02/61/51/176026151.db2.gz PWNDGWRIMQQVOF-QMMMGPOBSA-N 0 0 232.243 1.983 10 5 BDBERN C[C@@H](O)[C@H](C)Oc1ccc([N+](=O)[O-])c(F)c1 ZINC000087139169 177023394 /nfs/dbraw/zinc/02/33/94/177023394.db2.gz TVUDMGKTRMQTDF-RQJHMYQMSA-N 0 0 229.207 1.882 10 5 BDBERN CCCn1ccc(Cl)c([N+](=O)[O-])c1=O ZINC000095098121 521657080 /nfs/dbraw/zinc/65/70/80/521657080.db2.gz NXDSWYXQYDPPTC-UHFFFAOYSA-N 0 0 216.624 1.820 10 5 BDBERN O=C1NCc2cc([N+](=O)[O-])c(F)cc2N1 ZINC000504472344 534789338 /nfs/dbraw/zinc/78/93/38/534789338.db2.gz MBYICFJAVBMFMR-UHFFFAOYSA-N 0 0 211.152 1.369 10 5 BDBERN CCC(O)(CC)Cn1cc(C)c([N+](=O)[O-])n1 ZINC000229399451 535224695 /nfs/dbraw/zinc/22/46/95/535224695.db2.gz SEUJQTTUTXMAIA-UHFFFAOYSA-N 0 0 227.264 1.651 10 5 BDBERN Cn1nc(-c2ccnn2C)c([N+](=O)[O-])c1Cl ZINC000725257335 538063140 /nfs/dbraw/zinc/06/31/40/538063140.db2.gz ODYOTYOICKDQHI-UHFFFAOYSA-N 0 0 241.638 1.382 10 5 BDBERN Cn1nc(-c2ccc([N+](=O)[O-])s2)cc1N ZINC000236094129 632878500 /nfs/dbraw/zinc/87/85/00/632878500.db2.gz HNZSMQBWOHVFSQ-UHFFFAOYSA-N 0 0 224.245 1.639 10 5 BDBERN C[C@H](O)[C@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000309044796 711585919 /nfs/dbraw/zinc/58/59/19/711585919.db2.gz NSPKASGNQAUKBH-YUMQZZPRSA-N 0 0 210.233 1.776 10 5 BDBERN C[C@@H](Nc1ccc([N+](=O)[O-])nc1)c1cn(C)nn1 ZINC000720523098 712849421 /nfs/dbraw/zinc/84/94/21/712849421.db2.gz MRIHAOITPNQSRK-SSDOTTSWSA-N 0 0 248.246 1.291 10 5 BDBERN Cc1cc(N)nn1-c1cccc([N+](=O)[O-])c1 ZINC000054404737 178111505 /nfs/dbraw/zinc/11/15/05/178111505.db2.gz CWOAHRLFVPMITK-UHFFFAOYSA-N 0 0 218.216 1.671 10 5 BDBERN C=CC(=O)Nc1ccc([N+](=O)[O-])c(F)c1 ZINC000127078451 342836784 /nfs/dbraw/zinc/83/67/84/342836784.db2.gz SGSCXMCZOZSVEA-UHFFFAOYSA-N 0 0 210.164 1.858 10 5 BDBERN COc1c(Cl)c(N)ccc1[N+](=O)[O-] ZINC000059772850 342862124 /nfs/dbraw/zinc/86/21/24/342862124.db2.gz QPRUVHSDDAMTFZ-UHFFFAOYSA-N 0 0 202.597 1.839 10 5 BDBERN Nc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000032627886 342856978 /nfs/dbraw/zinc/85/69/78/342856978.db2.gz HAPKGVHPTPDQFC-UHFFFAOYSA-N 0 0 204.132 1.778 10 5 BDBERN O=[N+]([O-])c1cnccc1C1=C[C@@H](O)CCC1 ZINC000116907641 342939025 /nfs/dbraw/zinc/93/90/25/342939025.db2.gz FYPFYIHEOKDEJC-VIFPVBQESA-N 0 0 220.228 1.918 10 5 BDBERN O=C1c2cccc([N+](=O)[O-])c2[C@H]2CC(=O)CCN12 ZINC000118093768 343039955 /nfs/dbraw/zinc/03/99/55/343039955.db2.gz QQJCYBHTQWLEEO-SNVBAGLBSA-N 0 0 246.222 1.455 10 5 BDBERN O=[N+]([O-])c1cccc(N2COCCOC2)c1 ZINC000205274563 343622095 /nfs/dbraw/zinc/62/20/95/343622095.db2.gz FDFXOAJNKHZGSO-UHFFFAOYSA-N 0 0 224.216 1.363 10 5 BDBERN O=Cc1cc(OC(F)(F)F)c([N+](=O)[O-])cn1 ZINC000309503851 343643830 /nfs/dbraw/zinc/64/38/30/343643830.db2.gz JHIAENCEHBBBCG-UHFFFAOYSA-N 0 0 236.105 1.701 10 5 BDBERN O=[N+]([O-])CC[C@@H](O)c1ccc(F)c(F)c1 ZINC000165702170 343964965 /nfs/dbraw/zinc/96/49/65/343964965.db2.gz IIPKDNLHLXDNRT-SECBINFHSA-N 0 0 217.171 1.665 10 5 BDBERN Cc1cc(N[C@@H]2C[C@H]2CO)ncc1[N+](=O)[O-] ZINC000381564210 344521382 /nfs/dbraw/zinc/52/13/82/344521382.db2.gz SMDBJPSJLZIIKM-JGVFFNPUSA-N 0 0 223.232 1.091 10 5 BDBERN Cc1ccc(N2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000061701411 178714009 /nfs/dbraw/zinc/71/40/09/178714009.db2.gz FJBNUQXIGRUROD-NSHDSACASA-N 0 0 236.271 1.864 10 5 BDBERN Cc1cc([N+](=O)[O-])cnc1NCc1ncnn1C ZINC000078676955 344896634 /nfs/dbraw/zinc/89/66/34/344896634.db2.gz KMKBTKPKCPGHOD-UHFFFAOYSA-N 0 0 248.246 1.039 10 5 BDBERN CC(C)(c1nc([N+](=O)[O-])cs1)[N+](=O)[O-] ZINC000307095472 344924857 /nfs/dbraw/zinc/92/48/57/344924857.db2.gz CPBWPTHPLPQHCK-UHFFFAOYSA-N 0 0 217.206 1.563 10 5 BDBERN O=c1[nH]cc(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000238709499 345115607 /nfs/dbraw/zinc/11/56/07/345115607.db2.gz AVKPKIPACVZTNS-UHFFFAOYSA-N 0 0 224.094 1.594 10 5 BDBERN Nc1cc(OC(F)(F)F)cc([N+](=O)[O-])n1 ZINC000238704651 345114215 /nfs/dbraw/zinc/11/42/15/345114215.db2.gz NHORYRMEOLMYNU-UHFFFAOYSA-N 0 0 223.110 1.471 10 5 BDBERN O=Cc1nc(OC(F)(F)F)ccc1[N+](=O)[O-] ZINC000390123965 345247761 /nfs/dbraw/zinc/24/77/61/345247761.db2.gz HBMAKAHULBQPTN-UHFFFAOYSA-N 0 0 236.105 1.701 10 5 BDBERN CNc1ncnc2cc(OC)c([N+](=O)[O-])cc21 ZINC000143040088 345864505 /nfs/dbraw/zinc/86/45/05/345864505.db2.gz VDZFUMZUXHYWCW-UHFFFAOYSA-N 0 0 234.215 1.588 10 5 BDBERN O=[N+]([O-])c1ccc(Nn2cnnc2)cc1 ZINC000140913250 345858303 /nfs/dbraw/zinc/85/83/03/345858303.db2.gz SMYGTDCXXHLLHF-UHFFFAOYSA-N 0 0 205.177 1.062 10 5 BDBERN C[C@H]1C[C@@H]1Nc1ncc(F)cc1[N+](=O)[O-] ZINC000401088028 346166065 /nfs/dbraw/zinc/16/60/65/346166065.db2.gz COTXFKDIKOOWLC-FSPLSTOPSA-N 0 0 211.196 1.949 10 5 BDBERN O=[N+]([O-])c1cc(F)c(F)cc1CCO ZINC000585672587 346652522 /nfs/dbraw/zinc/65/25/22/346652522.db2.gz UBYSSTDGJIPMMJ-UHFFFAOYSA-N 0 0 203.144 1.408 10 5 BDBERN Cc1cccc(OC[C@H]2CO2)c1[N+](=O)[O-] ZINC000006071759 179172577 /nfs/dbraw/zinc/17/25/77/179172577.db2.gz IYBXFWFKGBPYKO-MRVPVSSYSA-N 0 0 209.201 1.681 10 5 BDBERN O=C1CCC(c2ccc([N+](=O)[O-])cc2)=NN1 ZINC000196215678 347833446 /nfs/dbraw/zinc/83/34/46/347833446.db2.gz HJLYHCIQHOIPEL-UHFFFAOYSA-N 0 0 219.200 1.209 10 5 BDBERN O=Cc1c2cccnc2ccc1[N+](=O)[O-] ZINC000196727254 348014137 /nfs/dbraw/zinc/01/41/37/348014137.db2.gz AWZJOFJZDDOJGX-UHFFFAOYSA-N 0 0 202.169 1.956 10 5 BDBERN O=C1CCN(c2ccc([N+](=O)[O-])cc2Cl)N1 ZINC000196820749 348030258 /nfs/dbraw/zinc/03/02/58/348030258.db2.gz FQHVIQXWFXTMJF-UHFFFAOYSA-N 0 0 241.634 1.490 10 5 BDBERN COc1ccc([C@H](O)[C@@H](C)[N+](=O)[O-])cc1 ZINC000038524221 362918172 /nfs/dbraw/zinc/91/81/72/362918172.db2.gz BTEJYEKSJZDWDU-GMSGAONNSA-N 0 0 211.217 1.394 10 5 BDBERN O=[N+]([O-])c1sccc1NC1CC(CO)C1 ZINC000596565411 348580061 /nfs/dbraw/zinc/58/00/61/348580061.db2.gz ABPWZYRJYPAIFW-UHFFFAOYSA-N 0 0 228.273 1.839 10 5 BDBERN O=[N+]([O-])c1ncccc1NC1CC(CO)C1 ZINC000596569226 348581535 /nfs/dbraw/zinc/58/15/35/348581535.db2.gz SGUWUVCEUBDZKK-UHFFFAOYSA-N 0 0 223.232 1.173 10 5 BDBERN Cc1cn(-c2ccccc2[N+](=O)[O-])nc1N ZINC000054404856 179557084 /nfs/dbraw/zinc/55/70/84/179557084.db2.gz YDCCAIFRNZOEHH-UHFFFAOYSA-N 0 0 218.216 1.671 10 5 BDBERN Nc1ccc(N2CCC3(CC3)C2)nc1[N+](=O)[O-] ZINC000400060622 362935440 /nfs/dbraw/zinc/93/54/40/362935440.db2.gz ZHHXYEHSHDPXLU-UHFFFAOYSA-N 0 0 234.259 1.562 10 5 BDBERN CCC(O)(CC)Cn1nc([N+](=O)[O-])cc1C ZINC000184766530 259406907 /nfs/dbraw/zinc/40/69/07/259406907.db2.gz SCKWKYTVGDLTJV-UHFFFAOYSA-N 0 0 227.264 1.651 10 5 BDBERN Cc1nc(N2CC=CCN2)ccc1[N+](=O)[O-] ZINC000599112615 349099163 /nfs/dbraw/zinc/09/91/63/349099163.db2.gz SAMFOTPVEAUJGT-UHFFFAOYSA-N 0 0 220.232 1.179 10 5 BDBERN Cc1cc([N+](=O)[O-])cnc1N1CC=CCN1 ZINC000599112540 349099374 /nfs/dbraw/zinc/09/93/74/349099374.db2.gz NANBAIVXATXKDL-UHFFFAOYSA-N 0 0 220.232 1.179 10 5 BDBERN C[C@@H]1C[C@H]1Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000308972874 349261976 /nfs/dbraw/zinc/26/19/76/349261976.db2.gz HGZHOFSYOLCYCN-IYSWYEEDSA-N 0 0 208.221 1.392 10 5 BDBERN C[Si](C)(C)CCOCn1cc([N+](=O)[O-])nn1 ZINC000222086201 350048086 /nfs/dbraw/zinc/04/80/86/350048086.db2.gz PUWSGVFMXLSTNE-UHFFFAOYSA-N 0 0 244.327 1.499 10 5 BDBERN COc1nc(SC)ccc1[N+](=O)[O-] ZINC000223693430 350284302 /nfs/dbraw/zinc/28/43/02/350284302.db2.gz SKSRYWGHQFQRME-UHFFFAOYSA-N 0 0 200.219 1.720 10 5 BDBERN Cc1nn([C@@H](C)c2cccnc2)c(N)c1[N+](=O)[O-] ZINC000043670505 180392525 /nfs/dbraw/zinc/39/25/25/180392525.db2.gz PGDZQQMKAJYETR-QMMMGPOBSA-N 0 0 247.258 1.686 10 5 BDBERN C[C@H]1C[C@@H]1Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000052292078 350980722 /nfs/dbraw/zinc/98/07/22/350980722.db2.gz JLAKSHIDFUDROJ-RCOVLWMOSA-N 0 0 235.243 1.514 10 5 BDBERN O=[N+]([O-])c1ccsc1N[C@H]1C[C@@H]1CO ZINC000307137126 351494108 /nfs/dbraw/zinc/49/41/08/351494108.db2.gz WJHXTEWKHLFHQJ-RITPCOANSA-N 0 0 214.246 1.449 10 5 BDBERN O=C1N[C@H](c2csc([N+](=O)[O-])c2)CO1 ZINC000307238255 351728245 /nfs/dbraw/zinc/72/82/45/351728245.db2.gz FMBVNGSLZPAPBV-YFKPBYRVSA-N 0 0 214.202 1.437 10 5 BDBERN O=[N+]([O-])c1cnn(C2CCOCC2)c1Cl ZINC000139831492 351837150 /nfs/dbraw/zinc/83/71/50/351837150.db2.gz OLLBZJSOAWVDJA-UHFFFAOYSA-N 0 0 231.639 1.796 10 5 BDBERN Cc1cc(C(N)=O)cc([N+](=O)[O-])c1Cl ZINC000307291545 351898914 /nfs/dbraw/zinc/89/89/14/351898914.db2.gz BPAUUPLYGLUFBO-UHFFFAOYSA-N 0 0 214.608 1.656 10 5 BDBERN Nc1cnc(Br)cc1[N+](=O)[O-] ZINC000307341825 352091387 /nfs/dbraw/zinc/09/13/87/352091387.db2.gz VIBCTNWGAPQNJF-UHFFFAOYSA-N 0 0 218.010 1.335 10 5 BDBERN COC(=O)c1ccc(OC)c(OC)c1[N+](=O)[O-] ZINC000033606147 187766257 /nfs/dbraw/zinc/76/62/57/187766257.db2.gz ZGIUTJWCSIHWGS-UHFFFAOYSA-N 0 0 241.199 1.399 10 5 BDBERN Cc1nn(C)c(-n2ccnc2C)c1[N+](=O)[O-] ZINC000104296944 187804730 /nfs/dbraw/zinc/80/47/30/187804730.db2.gz JGHDGOGBTXAFLP-UHFFFAOYSA-N 0 0 221.220 1.131 10 5 BDBERN [NH3+]Cc1cc(Br)c([O-])c([N+](=O)[O-])c1 ZINC000215799652 538110753 /nfs/dbraw/zinc/11/07/53/538110753.db2.gz DFKJWJUMSZULPQ-UHFFFAOYSA-N 0 0 247.048 1.522 10 5 BDBERN COC[C@H](C)Nc1ncnc(Cl)c1[N+](=O)[O-] ZINC000004243337 354821886 /nfs/dbraw/zinc/82/18/86/354821886.db2.gz YXSXVVAYRSPADR-YFKPBYRVSA-N 0 0 246.654 1.485 10 5 BDBERN O=[N+]([O-])c1ccc(-n2cccn2)c2nonc21 ZINC000111551447 355837863 /nfs/dbraw/zinc/83/78/63/355837863.db2.gz ZNALBIPGQYCGQJ-UHFFFAOYSA-N 0 0 231.171 1.317 10 5 BDBERN CC(=O)c1cc(Cl)nc([N+](=O)[O-])c1 ZINC000095766454 166444797 /nfs/dbraw/zinc/44/47/97/166444797.db2.gz QXCZGCTYSAQKRR-UHFFFAOYSA-N 0 0 200.581 1.846 10 5 BDBERN O=[N+]([O-])c1ccc(F)cc1NC1=NCCN1 ZINC000675073119 538505236 /nfs/dbraw/zinc/50/52/36/538505236.db2.gz REVNCWHZVMDOQT-UHFFFAOYSA-N 0 0 224.195 1.105 10 5 BDBERN O=[N+]([O-])c1cnccc1NC[C@@H]1CCC[C@@H]1O ZINC000089167191 357039411 /nfs/dbraw/zinc/03/94/11/357039411.db2.gz VCJOEYDZOIOIRQ-KWQFWETISA-N 0 0 237.259 1.563 10 5 BDBERN C=CS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000035322439 357070160 /nfs/dbraw/zinc/07/01/60/357070160.db2.gz HGFKNKMHDFZOCR-UHFFFAOYSA-N 0 0 227.241 1.820 10 5 BDBERN C[C@@H](O)c1ccc(-n2cccn2)c([N+](=O)[O-])c1 ZINC000035631799 358009257 /nfs/dbraw/zinc/00/92/57/358009257.db2.gz FCBXXRLBKUECKL-MRVPVSSYSA-N 0 0 233.227 1.834 10 5 BDBERN O=[N+]([O-])c1ccn(-c2cccc(F)c2)n1 ZINC000584613447 358277705 /nfs/dbraw/zinc/27/77/05/358277705.db2.gz HAOMTEXWZGELHL-UHFFFAOYSA-N 0 0 207.164 1.920 10 5 BDBERN O=[N+]([O-])CC[S@](=O)C1CCCCC1 ZINC000584615687 358280356 /nfs/dbraw/zinc/28/03/56/358280356.db2.gz GIJWGFALKLIXNO-ZDUSSCGKSA-N 0 0 205.279 1.345 10 5 BDBERN O=[N+]([O-])[C@@H](CO)Cc1ccc(Cl)cc1 ZINC000584629802 358299184 /nfs/dbraw/zinc/29/91/84/358299184.db2.gz AYTAYODHLHBJGF-SECBINFHSA-N 0 0 215.636 1.520 10 5 BDBERN C[C@H](NO)c1cc(F)ccc1[N+](=O)[O-] ZINC000306151922 358917752 /nfs/dbraw/zinc/91/77/52/358917752.db2.gz AOMWZDCGTXUBPR-YFKPBYRVSA-N 0 0 200.169 1.774 10 5 BDBERN Nc1nc([N+](=O)[O-])ccc1OC(F)(F)F ZINC000238660272 361172424 /nfs/dbraw/zinc/17/24/24/361172424.db2.gz LGVOWGIFFJKMRW-UHFFFAOYSA-N 0 0 223.110 1.471 10 5 BDBERN O=Cc1ccc(N2CCC2)c([N+](=O)[O-])c1 ZINC000306398920 541313328 /nfs/dbraw/zinc/31/33/28/541313328.db2.gz KGHAGJSRTCOLRO-UHFFFAOYSA-N 0 0 206.201 1.617 10 5 BDBERN CNc1cc(F)c(C(=O)OC)cc1[N+](=O)[O-] ZINC000118430378 368972107 /nfs/dbraw/zinc/97/21/07/368972107.db2.gz BICJDAHZPWXTKG-UHFFFAOYSA-N 0 0 228.179 1.562 10 5 BDBERN Nc1nc2cc(CO)ccc2c2ccc(F)nc12 ZINC000115143799 368975821 /nfs/dbraw/zinc/97/58/21/368975821.db2.gz XOIMTHLWGIQIPJ-UHFFFAOYSA-N 0 0 243.241 1.997 10 5 BDBERN [NH3+]Cc1ccc([N+](=O)[O-])cc1OC(F)(F)F ZINC000138604623 369008728 /nfs/dbraw/zinc/00/87/28/369008728.db2.gz OGVJRCRJKOLCIJ-UHFFFAOYSA-N 0 0 236.149 1.952 10 5 BDBERN O=[N+]([O-])c1cccc(F)c1NCC1CC(O)C1 ZINC000302639262 371586297 /nfs/dbraw/zinc/58/62/97/371586297.db2.gz FNHLODBTLDUMLK-UHFFFAOYSA-N 0 0 240.234 1.917 10 5 BDBERN O=[N+]([O-])c1cc(CNO)c(F)cc1F ZINC000132187800 371762583 /nfs/dbraw/zinc/76/25/83/371762583.db2.gz KGBDDIRNFRHHHC-UHFFFAOYSA-N 0 0 204.132 1.352 10 5 BDBERN O=[N+]([O-])c1cccc2nc(CO)ccc21 ZINC000004228184 372176565 /nfs/dbraw/zinc/17/65/65/372176565.db2.gz RPXHSIORXKDLOL-UHFFFAOYSA-N 0 0 204.185 1.635 10 5 BDBERN COC(=O)c1cc([N+](=O)[O-])cc(OC)c1C ZINC000140432743 372666419 /nfs/dbraw/zinc/66/64/19/372666419.db2.gz KSHLWPNSYKHZMM-UHFFFAOYSA-N 0 0 225.200 1.698 10 5 BDBERN C[C@@H]([C@H](O)c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] ZINC000038674261 372737678 /nfs/dbraw/zinc/73/76/78/372737678.db2.gz TYUOXCOWZWBAMN-RCOVLWMOSA-N 0 0 226.188 1.293 10 5 BDBERN O=C1NCC[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000095221119 182809478 /nfs/dbraw/zinc/80/94/78/182809478.db2.gz XLERBMMVUHGRIU-VIFPVBQESA-N 0 0 206.201 1.198 10 5 BDBERN O=c1ccc2c3c(cc[n+]2[O-])c2ccccc2n31 ZINC000013383079 183001205 /nfs/dbraw/zinc/00/12/05/183001205.db2.gz PMKULNRVYULJPO-UHFFFAOYSA-N 0 0 236.230 1.677 10 5 biogenic,in-vitro BDBERN CCCOc1ncnc(NCC)c1[N+](=O)[O-] ZINC000082486606 169329188 /nfs/dbraw/zinc/32/91/88/169329188.db2.gz PGZXDQUBMDGGRW-UHFFFAOYSA-N 0 0 226.236 1.605 10 5 BDBERN COC(=O)c1cc([N+](=O)[O-])cn2ccnc12 ZINC000089202560 383944077 /nfs/dbraw/zinc/94/40/77/383944077.db2.gz KJGIQGGRROYLCV-UHFFFAOYSA-N 0 0 221.172 1.029 10 5 BDBERN COc1cc(Br)ncc1[N+](=O)[O-] ZINC000083332101 384488720 /nfs/dbraw/zinc/48/87/20/384488720.db2.gz OTAUFZHNQVLXSL-UHFFFAOYSA-N 0 0 233.021 1.761 10 5 BDBERN O=[N+]([O-])c1ccc(N=S2(=O)CCCC2)nc1 ZINC000536958131 384807103 /nfs/dbraw/zinc/80/71/03/384807103.db2.gz VSMZPLNXNQDUMH-UHFFFAOYSA-N 0 0 241.272 1.883 10 5 BDBERN Nc1cc(OC(F)(F)F)c(O)c([N+](=O)[O-])c1 ZINC000575728298 384916606 /nfs/dbraw/zinc/91/66/06/384916606.db2.gz MSYBSBGOPRUCTI-UHFFFAOYSA-N 0 0 238.121 1.781 10 5 BDBERN O=c1ccc2c(=O)oc3ccccc3c2[nH]1 ZINC000238603747 385260967 /nfs/dbraw/zinc/26/09/67/385260967.db2.gz ALSCIZKLIISQTP-UHFFFAOYSA-N 0 0 213.192 1.635 10 5 BDBERN O=[N+]([O-])c1ccc(F)cc1N1CCC[C@H]1CO ZINC000052121590 385702204 /nfs/dbraw/zinc/70/22/04/385702204.db2.gz MCTHCASTNXQWQO-VIFPVBQESA-N 0 0 240.234 1.695 10 5 BDBERN C[C@@H]1O[C@@]2(CS1)C[N+]1([O-])CCC2CC1 ZINC000575338538 386685522 /nfs/dbraw/zinc/68/55/22/386685522.db2.gz IPNRDUUDNGJPCH-BZCXBAJXSA-N 0 0 216.326 1.464 10 5 BDBERN O=Cc1cc([N+](=O)[O-])cc(CO)c1C(F)F ZINC000575666924 387318979 /nfs/dbraw/zinc/31/89/79/387318979.db2.gz BSDHSNUOGJYYCT-UHFFFAOYSA-N 0 0 231.154 1.837 10 5 BDBERN Cn1nc(Cl)c2cc([N+](=O)[O-])cc(N)c21 ZINC000089200632 387314174 /nfs/dbraw/zinc/31/41/74/387314174.db2.gz KRUHPIDNDPIUOM-UHFFFAOYSA-N 0 0 226.623 1.717 10 5 BDBERN O=Cc1cc(CO)c(C(F)F)c([N+](=O)[O-])c1 ZINC000575667243 387315436 /nfs/dbraw/zinc/31/54/36/387315436.db2.gz CMFDMXFTSIOGKP-UHFFFAOYSA-N 0 0 231.154 1.837 10 5 BDBERN O=[N+]([O-])c1cc(CO)cc(O)c1OC(F)F ZINC000575662955 387270315 /nfs/dbraw/zinc/27/03/15/387270315.db2.gz LVATZAOHTXGCMW-UHFFFAOYSA-N 0 0 235.142 1.394 10 5 BDBERN COc1cc(OC)c(C(C)=O)c([N+](=O)[O-])c1 ZINC000575672837 387340134 /nfs/dbraw/zinc/34/01/34/387340134.db2.gz QDXQGQJGKDKCLI-UHFFFAOYSA-N 0 0 225.200 1.815 10 5 BDBERN CCOC(=O)c1cc(OC)c(N)c([N+](=O)[O-])c1 ZINC000575726049 387461267 /nfs/dbraw/zinc/46/12/67/387461267.db2.gz XROCVQFGRJGEQU-UHFFFAOYSA-N 0 0 240.215 1.362 10 5 BDBERN CCOC(=O)c1c(N)ccc(OC)c1[N+](=O)[O-] ZINC000575724519 387437422 /nfs/dbraw/zinc/43/74/22/387437422.db2.gz GSAKLFBGAMXPQL-UHFFFAOYSA-N 0 0 240.215 1.362 10 5 BDBERN COc1cc(Br)c(N)cc1[N+](=O)[O-] ZINC000575720752 387443384 /nfs/dbraw/zinc/44/33/84/387443384.db2.gz RVYTWKYLLYUKMJ-UHFFFAOYSA-N 0 0 247.048 1.948 10 5 BDBERN Nc1c(O)ccc(OC(F)F)c1[N+](=O)[O-] ZINC000575722953 387446104 /nfs/dbraw/zinc/44/61/04/387446104.db2.gz ITQGKCRQIZZTDH-UHFFFAOYSA-N 0 0 220.131 1.484 10 5 BDBERN CCOC(=O)c1c(N)c(O)ccc1[N+](=O)[O-] ZINC000575725576 387458666 /nfs/dbraw/zinc/45/86/66/387458666.db2.gz SCMOFJWLCROXBP-UHFFFAOYSA-N 0 0 226.188 1.059 10 5 BDBERN CCOC(=O)c1c(N)cc(O)cc1[N+](=O)[O-] ZINC000575724970 387459944 /nfs/dbraw/zinc/45/99/44/387459944.db2.gz OXJQOLXSXHVLPB-UHFFFAOYSA-N 0 0 226.188 1.059 10 5 BDBERN CCOc1cc(CO)cc(C)c1[N+](=O)[O-] ZINC000575698719 387390783 /nfs/dbraw/zinc/39/07/83/387390783.db2.gz GUXADUUIXZVCSY-UHFFFAOYSA-N 0 0 211.217 1.794 10 5 BDBERN CCOc1cc(C)c([N+](=O)[O-])cc1C(N)=O ZINC000575698795 387391001 /nfs/dbraw/zinc/39/10/01/387391001.db2.gz KJJDJAOCCGVKCD-UHFFFAOYSA-N 0 0 224.216 1.401 10 5 BDBERN CCOc1cc(C=O)cc(F)c1[N+](=O)[O-] ZINC000575697326 387391825 /nfs/dbraw/zinc/39/18/25/387391825.db2.gz WCQQWVYEZPHSGT-UHFFFAOYSA-N 0 0 213.164 1.945 10 5 BDBERN CCOc1cc([N+](=O)[O-])c(F)cc1CO ZINC000575697884 387392591 /nfs/dbraw/zinc/39/25/91/387392591.db2.gz QSSVSTHQSISLPZ-UHFFFAOYSA-N 0 0 215.180 1.625 10 5 BDBERN CCOc1cc(CO)c([N+](=O)[O-])cc1F ZINC000575697875 387393141 /nfs/dbraw/zinc/39/31/41/387393141.db2.gz QDUAOGGHDGVDQV-UHFFFAOYSA-N 0 0 215.180 1.625 10 5 BDBERN CCOc1c([N+](=O)[O-])ccc(CC)c1C(N)=O ZINC000575694570 387394459 /nfs/dbraw/zinc/39/44/59/387394459.db2.gz FMMASTQUOLHDRK-UHFFFAOYSA-N 0 0 238.243 1.655 10 5 BDBERN CCOc1cc([N+](=O)[O-])cc(C(N)=O)c1OC ZINC000575698403 387394728 /nfs/dbraw/zinc/39/47/28/387394728.db2.gz ONFGQLLDCCKUKA-UHFFFAOYSA-N 0 0 240.215 1.101 10 5 BDBERN CCOc1cc(C(N)=O)c(F)cc1[N+](=O)[O-] ZINC000575697774 387395794 /nfs/dbraw/zinc/39/57/94/387395794.db2.gz LESMQHCSYZMGHE-UHFFFAOYSA-N 0 0 228.179 1.232 10 5 BDBERN CCOc1c(CC)cc([N+](=O)[O-])cc1C(N)=O ZINC000575696217 387396061 /nfs/dbraw/zinc/39/60/61/387396061.db2.gz KRVDADHNYJIZQL-UHFFFAOYSA-N 0 0 238.243 1.655 10 5 BDBERN CCOc1c(C)cc([N+](=O)[O-])cc1CO ZINC000575699129 387402306 /nfs/dbraw/zinc/40/23/06/387402306.db2.gz QBNSHLYKUGUHCU-UHFFFAOYSA-N 0 0 211.217 1.794 10 5 BDBERN COC(=O)c1c(OC)cc(F)cc1[N+](=O)[O-] ZINC000575714513 387412219 /nfs/dbraw/zinc/41/22/19/387412219.db2.gz HYBFMTZYBWHWMB-UHFFFAOYSA-N 0 0 229.163 1.529 10 5 BDBERN COC(=O)Cc1c(F)c([N+](=O)[O-])ccc1OC ZINC000575714233 387418367 /nfs/dbraw/zinc/41/83/67/387418367.db2.gz HANPOJZFZKTWIX-UHFFFAOYSA-N 0 0 243.190 1.458 10 5 BDBERN CCOC(=O)Cc1cc([N+](=O)[O-])cc(N)c1C ZINC000575726857 387463362 /nfs/dbraw/zinc/46/33/62/387463362.db2.gz QPJWQGOTDBXLNF-UHFFFAOYSA-N 0 0 238.243 1.591 10 5 BDBERN Nc1cc(O)cc([N+](=O)[O-])c1C(F)(F)F ZINC000575728321 387464891 /nfs/dbraw/zinc/46/48/91/387464891.db2.gz MZRPFNXFVWJTRL-UHFFFAOYSA-N 0 0 222.122 1.901 10 5 BDBERN Cn1ccc(=O)c([N+](=O)[O-])c1Br ZINC000299889934 388344758 /nfs/dbraw/zinc/34/47/58/388344758.db2.gz RDCMQEOFRLAJHP-UHFFFAOYSA-N 0 0 233.021 1.056 10 5 BDBERN CC1(C)NC(=O)c2ccc([N+](=O)[O-])cc2O1 ZINC000040443202 388415629 /nfs/dbraw/zinc/41/56/29/388415629.db2.gz CZHKQCMWJAWKGO-UHFFFAOYSA-N 0 0 222.200 1.453 10 5 BDBERN Nc1nc(NC2CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000253577523 388616552 /nfs/dbraw/zinc/61/65/52/388616552.db2.gz XDSMKYHPDYGIIF-UHFFFAOYSA-N 0 0 245.242 1.695 10 5 BDBERN Cn1cncc1-c1cccc([N+](=O)[O-])c1 ZINC000521401406 388672396 /nfs/dbraw/zinc/67/23/96/388672396.db2.gz YEOKMSZXUFMUHA-UHFFFAOYSA-N 0 0 203.201 1.995 10 5 BDBERN Cc1ccc(N[C@H]2CCN(C)C2=O)c([N+](=O)[O-])c1 ZINC000080646401 388712171 /nfs/dbraw/zinc/71/21/71/388712171.db2.gz DFATXKZODVCKSZ-JTQLQIEISA-N 0 0 249.270 1.546 10 5 BDBERN COC(=O)c1c(N)c(F)ccc1[N+](=O)[O-] ZINC000037475441 388869611 /nfs/dbraw/zinc/86/96/11/388869611.db2.gz ZYQXSTWTUVALGB-UHFFFAOYSA-N 0 0 214.152 1.103 10 5 BDBERN Nc1cc([N+](=O)[O-])ccc1N1CCSCC1 ZINC000052840125 132362691 /nfs/dbraw/zinc/36/26/91/132362691.db2.gz RUHWDBTWMGFDIY-UHFFFAOYSA-N 0 0 239.300 1.730 10 5 BDBERN O=[N+]([O-])c1ccc(F)cc1N1CCC[C@@H](O)C1 ZINC000052121474 132229088 /nfs/dbraw/zinc/22/90/88/132229088.db2.gz VHILJNYSIDPLAJ-SECBINFHSA-N 0 0 240.234 1.695 10 5 BDBERN O=[N+]([O-])c1ccc(N2CC[C@@H](CCO)C2)cn1 ZINC000078365855 135119139 /nfs/dbraw/zinc/11/91/39/135119139.db2.gz IJKOBWIUNWMIQF-VIFPVBQESA-N 0 0 237.259 1.199 10 5 BDBERN Cc1c(C=O)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000095830176 398021564 /nfs/dbraw/zinc/02/15/64/398021564.db2.gz YDBGZXMQDGMDJK-UHFFFAOYSA-N 0 0 210.145 1.624 10 5 BDBERN COC(=O)c1cc([N+](=O)[O-])cc(F)c1OC ZINC000259992676 398038771 /nfs/dbraw/zinc/03/87/71/398038771.db2.gz DLBZUSMVHXRIKA-UHFFFAOYSA-N 0 0 229.163 1.529 10 5 BDBERN C[C@@H]1C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000075528384 398102203 /nfs/dbraw/zinc/10/22/03/398102203.db2.gz PSZVFUODYNYSBL-XCBNKYQSSA-N 0 0 220.228 1.733 10 5 BDBERN CC(C)Oc1ncnc(-n2ccnc2)c1[N+](=O)[O-] ZINC000040659705 167316071 /nfs/dbraw/zinc/31/60/71/167316071.db2.gz FUZXHQSAVCIJBB-UHFFFAOYSA-N 0 0 249.230 1.358 10 5 BDBERN CCNc1cc(Cn2cnc([N+](=O)[O-])c2)ccn1 ZINC000052733025 170172630 /nfs/dbraw/zinc/17/26/30/170172630.db2.gz BDTGPDIAJJWJLD-UHFFFAOYSA-N 0 0 247.258 1.666 10 5 BDBERN CCNc1cc(Cn2cc([N+](=O)[O-])cn2)ccn1 ZINC000052732036 170173030 /nfs/dbraw/zinc/17/30/30/170173030.db2.gz ZZIKLPVHLJOKOB-UHFFFAOYSA-N 0 0 247.258 1.666 10 5 BDBERN CCOC(=O)[C@H](N)c1ccccc1[N+](=O)[O-] ZINC000039186808 170276270 /nfs/dbraw/zinc/27/62/70/170276270.db2.gz ZICLRTSSQWUNIR-SECBINFHSA-N 0 0 224.216 1.158 10 5 BDBERN CCOC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000032233206 170297707 /nfs/dbraw/zinc/29/77/07/170297707.db2.gz LAWSJYPBSMMKJU-UHFFFAOYSA-N 0 0 240.171 1.680 10 5 BDBERN CCc1ccc(CC(=O)OC)c([N+](=O)[O-])c1 ZINC000039102456 171789969 /nfs/dbraw/zinc/78/99/69/171789969.db2.gz UUZVZQDPIRWMPF-UHFFFAOYSA-N 0 0 223.228 1.873 10 5 BDBERN CCc1nccn1Cc1cc([N+](=O)[O-])ccc1N ZINC000050830065 172026693 /nfs/dbraw/zinc/02/66/93/172026693.db2.gz KWQHMOPAWJOHMK-UHFFFAOYSA-N 0 0 246.270 1.984 10 5 BDBERN CCc1nn(C)c(N[C@H]2C[C@H]2C)c1[N+](=O)[O-] ZINC000085020929 172039372 /nfs/dbraw/zinc/03/93/72/172039372.db2.gz WWFMWJQHEJPLJU-SVRRBLITSA-N 0 0 224.264 1.711 10 5 BDBERN CN(C)C(=O)c1cc([N+](=O)[O-])c(F)cc1F ZINC000081563545 172388206 /nfs/dbraw/zinc/38/82/06/172388206.db2.gz SNCULNDAWNFDHM-UHFFFAOYSA-N 0 0 230.170 1.575 10 5 BDBERN CN(C)C(=O)c1cc(N)c(F)cc1[N+](=O)[O-] ZINC000050696760 172388857 /nfs/dbraw/zinc/38/88/57/172388857.db2.gz RXDJCCDHCOHHNT-UHFFFAOYSA-N 0 0 227.195 1.018 10 5 BDBERN CNC(=O)c1ccc(N[C@H]2C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000112466066 173311097 /nfs/dbraw/zinc/31/10/97/173311097.db2.gz GTNXWIHCBYOSES-XVKPBYJWSA-N 0 0 249.270 1.775 10 5 BDBERN COCC[NH2+]Cc1ccc([N+](=O)[O-])c([O-])c1 ZINC000060942016 174335861 /nfs/dbraw/zinc/33/58/61/174335861.db2.gz QUJWQYDUOHUZKN-UHFFFAOYSA-N 0 0 226.232 1.036 10 5 BDBERN COCCOc1c(F)cc([N+](=O)[O-])cc1F ZINC000261508604 174366446 /nfs/dbraw/zinc/36/64/46/174366446.db2.gz VEAVSMTXQGZNEP-UHFFFAOYSA-N 0 0 233.170 1.898 10 5 BDBERN COc1cc(CO)c([N+](=O)[O-])cc1OC(C)C ZINC000037226548 174987305 /nfs/dbraw/zinc/98/73/05/174987305.db2.gz NAFYSVXIIBFSEH-UHFFFAOYSA-N 0 0 241.243 1.883 10 5 BDBERN COc1cc(OC)c([N+](=O)[O-])cc1C(C)=O ZINC000083189446 175007902 /nfs/dbraw/zinc/00/79/02/175007902.db2.gz FEWAWCBXWAWLSS-UHFFFAOYSA-N 0 0 225.200 1.815 10 5 BDBERN COc1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000070163656 175043792 /nfs/dbraw/zinc/04/37/92/175043792.db2.gz AMHMQVYBILXHQS-UHFFFAOYSA-N 0 0 219.200 1.789 10 5 BDBERN COc1cccc(OC)c1/C=C/[N+](=O)[O-] ZINC000002244077 175281046 /nfs/dbraw/zinc/28/10/46/175281046.db2.gz HWHAPEJTWCSVGR-VOTSOKGWSA-N 0 0 209.201 1.951 10 5 BDBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(N)c1)C1CC1 ZINC000054414716 175849185 /nfs/dbraw/zinc/84/91/85/175849185.db2.gz KPHGOVLMTIQHBS-SSDOTTSWSA-N 0 0 249.270 1.705 10 5 BDBERN C[C@@H]1C[C@H]1Nc1cc(N)ccc1[N+](=O)[O-] ZINC000193407933 176447057 /nfs/dbraw/zinc/44/70/57/176447057.db2.gz OUIAWQYKXHFYAI-HTRCEHHLSA-N 0 0 207.233 1.997 10 5 BDBERN C[C@H](O)c1cnn(Cc2cccc([N+](=O)[O-])c2)c1 ZINC000054724412 177018120 /nfs/dbraw/zinc/01/81/20/177018120.db2.gz NGPKGPLARWKXOJ-VIFPVBQESA-N 0 0 247.254 1.893 10 5 BDBERN C[C@H]1C[C@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000133873848 177385009 /nfs/dbraw/zinc/38/50/09/177385009.db2.gz DFLYRHWVOBHEJY-IMTBSYHQSA-N 0 0 238.218 1.872 10 5 BDBERN C[C@H]1CC[C@@H](O)CN1c1ccccc1[N+](=O)[O-] ZINC000399321830 262781926 /nfs/dbraw/zinc/78/19/26/262781926.db2.gz IUOGEVLTRHLTMS-VHSXEESVSA-N 0 0 236.271 1.944 10 5 BDBERN O=[N+]([O-])c1ccccc1-c1nnn2c1CCC2 ZINC000096028688 518203195 /nfs/dbraw/zinc/20/31/95/518203195.db2.gz SHOXBMXIOUJEMN-UHFFFAOYSA-N 0 0 230.227 1.800 10 5 BDBERN C[C@@H](O)c1ccn(Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000128746394 591157245 /nfs/dbraw/zinc/15/72/45/591157245.db2.gz KMVPSWJVAHNMKT-SECBINFHSA-N 0 0 247.254 1.893 10 5 BDBERN CCNS(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000177316366 632807744 /nfs/dbraw/zinc/80/77/44/632807744.db2.gz OJEMYTDFGCUTKG-UHFFFAOYSA-N 0 0 248.235 1.032 10 5 BDBERN C[C@@H](O)[C@@H](C)Nc1ccc([N+](=O)[O-])cc1F ZINC000309838228 633823655 /nfs/dbraw/zinc/82/36/55/633823655.db2.gz BTCNKPACLWMMCH-RNFRBKRXSA-N 0 0 228.223 1.915 10 5 BDBERN C[C@@H](O)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000346469178 637145717 /nfs/dbraw/zinc/14/57/17/637145717.db2.gz JVDJGWTXERBWNW-JGVFFNPUSA-N 0 0 238.243 1.094 10 5 BDBERN Cc1cc(NC2CC(C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000716681878 712569868 /nfs/dbraw/zinc/56/98/68/712569868.db2.gz DVGHWUWVNWWOJI-UHFFFAOYSA-N 0 0 249.270 1.579 10 5 BDBERN Cc1cc(SC[C@H](O)CO)ccc1[N+](=O)[O-] ZINC000086659894 178218354 /nfs/dbraw/zinc/21/83/54/178218354.db2.gz GVIBYABMLRTUSI-MRVPVSSYSA-N 0 0 243.284 1.349 10 5 BDBERN Cc1cc([N+](=O)[O-])ccc1N[C@H](C)C(N)=O ZINC000035138188 178272684 /nfs/dbraw/zinc/27/26/84/178272684.db2.gz RTZPMVCFKATPDG-SSDOTTSWSA-N 0 0 223.232 1.189 10 5 BDBERN CCCN1Cc2cccc([N+](=O)[O-])c2C1=O ZINC000168254742 538945015 /nfs/dbraw/zinc/94/50/15/538945015.db2.gz JBOANPJVHXQWPB-UHFFFAOYSA-N 0 0 220.228 1.961 10 5 BDBERN Cc1ccc(-c2ncon2)cc1[N+](=O)[O-] ZINC000096102555 178339994 /nfs/dbraw/zinc/33/99/94/178339994.db2.gz IXJNSRNFCZWNSB-UHFFFAOYSA-N 0 0 205.173 1.953 10 5 BDBERN O=[N+]([O-])c1nccc(CO)c1OC(F)(F)F ZINC000309196267 342907612 /nfs/dbraw/zinc/90/76/12/342907612.db2.gz SWKVDYMLRDWXML-UHFFFAOYSA-N 0 0 238.121 1.381 10 5 BDBERN Cn1ncc([N+](=O)[O-])c1[C@H]1CCC=COC1 ZINC000216878647 342990585 /nfs/dbraw/zinc/99/05/85/342990585.db2.gz ZYPMJZRTFZFJTN-QMMMGPOBSA-N 0 0 223.232 1.736 10 5 BDBERN CC1=C[C@H](C)[C@H](c2c([N+](=O)[O-])cnn2C)OC1 ZINC000216876904 342990667 /nfs/dbraw/zinc/99/06/67/342990667.db2.gz HESWFZOMBOKZKV-GZMMTYOYSA-N 0 0 237.259 1.982 10 5 BDBERN CCOC(=O)[C@@H]1Cc2ccc([N+](=O)[O-])cc2N1 ZINC000584881356 343082395 /nfs/dbraw/zinc/08/23/95/343082395.db2.gz HQRGXOXJYRSEQX-JTQLQIEISA-N 0 0 236.227 1.495 10 5 BDBERN CCc1nnc(COc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000072236775 343089102 /nfs/dbraw/zinc/08/91/02/343089102.db2.gz CUSCSAYKOFODPD-UHFFFAOYSA-N 0 0 248.242 1.854 10 5 BDBERN CCOC(=O)Cc1cc([N+](=O)[O-])c(F)cc1F ZINC000145192202 343263827 /nfs/dbraw/zinc/26/38/27/343263827.db2.gz JSHIOBUMJVAHPH-UHFFFAOYSA-N 0 0 245.181 1.979 10 5 BDBERN COc1cc([N+](=O)[O-])cc(OC(F)(F)F)n1 ZINC000309351694 343324243 /nfs/dbraw/zinc/32/42/43/343324243.db2.gz DXEDWEAAOIEBRK-UHFFFAOYSA-N 0 0 238.121 1.897 10 5 BDBERN CCOc1cc(F)c([N+](=O)[O-])cc1O ZINC000149860757 343456049 /nfs/dbraw/zinc/45/60/49/343456049.db2.gz BOEWFXFJUUKOAY-UHFFFAOYSA-N 0 0 201.153 1.838 10 5 BDBERN COC(=O)[C@H](C)Oc1cccc([N+](=O)[O-])c1C ZINC000043626078 343614080 /nfs/dbraw/zinc/61/40/80/343614080.db2.gz RCLUXMRATZEDIX-QMMMGPOBSA-N 0 0 239.227 1.844 10 5 BDBERN O=[N+]([O-])c1ccccc1[C@@H]1CO[C@@H](CO)C1 ZINC000536956841 343652227 /nfs/dbraw/zinc/65/22/27/343652227.db2.gz BIBCJADOERSLBC-DTWKUNHWSA-N 0 0 223.228 1.460 10 5 BDBERN C=CC(=O)N(C)c1cccc([N+](=O)[O-])c1 ZINC000059338253 343708689 /nfs/dbraw/zinc/70/86/89/343708689.db2.gz YFGOGSWYHYAOOU-UHFFFAOYSA-N 0 0 206.201 1.744 10 5 BDBERN CSCc1cc([N+](=O)[O-])ccc1NN ZINC000051151082 346962313 /nfs/dbraw/zinc/96/23/13/346962313.db2.gz WUVIWJWPQFBTSU-UHFFFAOYSA-N 0 0 213.262 1.743 10 5 BDBERN C[C@]1(F)CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000408220624 344255285 /nfs/dbraw/zinc/25/52/85/344255285.db2.gz YCTSOCPEYCVZBU-VIFPVBQESA-N 0 0 226.211 1.323 10 5 BDBERN COc1c(N)ccc([N+](=O)[O-])c1Cl ZINC000220428810 344333467 /nfs/dbraw/zinc/33/34/67/344333467.db2.gz MFEKCQHLCJRWDI-UHFFFAOYSA-N 0 0 202.597 1.839 10 5 BDBERN Cc1ccc(N[C@@H]2CCCNC2=O)cc1[N+](=O)[O-] ZINC000061701089 178772985 /nfs/dbraw/zinc/77/29/85/178772985.db2.gz OHTJMATTZHPFPT-SNVBAGLBSA-N 0 0 249.270 1.594 10 5 BDBERN Nc1noc(-c2ccc([N+](=O)[O-])s2)n1 ZINC000236391560 346234174 /nfs/dbraw/zinc/23/41/74/346234174.db2.gz QCQOXBUVVOIPQF-UHFFFAOYSA-N 0 0 212.190 1.289 10 5 BDBERN CNS(=O)(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000669375880 537958142 /nfs/dbraw/zinc/95/81/42/537958142.db2.gz XQBLWWIVZRGEHD-SSDOTTSWSA-N 0 0 244.272 1.205 10 5 BDBERN Cc1cc2nc(Cl)cc(=O)n2cc1[N+](=O)[O-] ZINC000725244553 537998710 /nfs/dbraw/zinc/99/87/10/537998710.db2.gz JKTNFDRDVBBBCT-UHFFFAOYSA-N 0 0 239.618 1.565 10 5 BDBERN Cn1ncc([N+](=O)[O-])c1[C@@H]1CCC=COC1 ZINC000216878597 350020724 /nfs/dbraw/zinc/02/07/24/350020724.db2.gz ZYPMJZRTFZFJTN-MRVPVSSYSA-N 0 0 223.232 1.736 10 5 BDBERN Cc1nn(CC2CCCC2)c(N)c1[N+](=O)[O-] ZINC000050272020 180386704 /nfs/dbraw/zinc/38/67/04/180386704.db2.gz WHEGEHQXLBMZMU-UHFFFAOYSA-N 0 0 224.264 1.872 10 5 BDBERN COCCN1Cc2cc([N+](=O)[O-])ccc2C1=O ZINC000725266690 538096710 /nfs/dbraw/zinc/09/67/10/538096710.db2.gz ILLYAVYXPGSKBG-UHFFFAOYSA-N 0 0 236.227 1.197 10 5 BDBERN Cc1cc(C(N)=O)cc(Cl)c1[N+](=O)[O-] ZINC000307323477 352018410 /nfs/dbraw/zinc/01/84/10/352018410.db2.gz CWNIPYGRJQNHSN-UHFFFAOYSA-N 0 0 214.608 1.656 10 5 BDBERN NN=c1[nH]c2cc([N+](=O)[O-])ccc2s1 ZINC000045237198 352590729 /nfs/dbraw/zinc/59/07/29/352590729.db2.gz MCZYTJKXOWEBIH-UHFFFAOYSA-N 0 0 210.218 1.490 10 5 BDBERN Cc1ccc(C(N)=O)c(Cl)c1[N+](=O)[O-] ZINC000307666655 352748895 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/nfs/dbraw/zinc/39/47/15/387394715.db2.gz ZZGGZYLYGWSZDP-UHFFFAOYSA-N 0 0 238.243 1.655 10 5 BDBERN COC(=O)c1cc(N)cc([N+](=O)[O-])c1Cl ZINC000575724801 387460476 /nfs/dbraw/zinc/46/04/76/387460476.db2.gz AQCDMDFHKFJDRN-UHFFFAOYSA-N 0 0 230.607 1.617 10 5 BDBERN CCOC(=O)c1c(F)cc([N+](=O)[O-])cc1OC ZINC000575701814 387405733 /nfs/dbraw/zinc/40/57/33/387405733.db2.gz JJVWPIPPMKSVBE-UHFFFAOYSA-N 0 0 243.190 1.919 10 5 BDBERN COC(=O)c1c(O)ccc(F)c1[N+](=O)[O-] ZINC000575714273 387407136 /nfs/dbraw/zinc/40/71/36/387407136.db2.gz OPJUNHOBGKPPPR-UHFFFAOYSA-N 0 0 215.136 1.226 10 5 BDBERN CSc1cc([N+](=O)[O-])cc(F)c1CO ZINC000575709888 387413361 /nfs/dbraw/zinc/41/33/61/387413361.db2.gz OUKWRIDUPSKBLY-UHFFFAOYSA-N 0 0 217.221 1.948 10 5 BDBERN COc1ccc(F)c(CO)c1[N+](=O)[O-] ZINC000575708852 387413663 /nfs/dbraw/zinc/41/36/63/387413663.db2.gz SEDOHTXHEUSGPW-UHFFFAOYSA-N 0 0 201.153 1.235 10 5 BDBERN CCOC(=O)Cc1cc(N)c([N+](=O)[O-])cc1C ZINC000575726118 387462950 /nfs/dbraw/zinc/46/29/50/387462950.db2.gz LRMRUZAICHUXSI-UHFFFAOYSA-N 0 0 238.243 1.591 10 5 BDBERN COc1c(F)c(C[NH3+])ccc1[N+](=O)[O-] ZINC000575726733 387463270 /nfs/dbraw/zinc/46/32/70/387463270.db2.gz JVQMMCPFZXTQBG-UHFFFAOYSA-N 0 0 200.169 1.201 10 5 BDBERN CCOC(=O)Cc1ccc([N+](=O)[O-])c(N)c1C ZINC000575727570 387464294 /nfs/dbraw/zinc/46/42/94/387464294.db2.gz WRJPEUDADUBGKQ-UHFFFAOYSA-N 0 0 238.243 1.591 10 5 BDBERN Nc1cc([N+](=O)[O-])c(OC(F)(F)F)cc1O ZINC000575728519 387465803 /nfs/dbraw/zinc/46/58/03/387465803.db2.gz QQVBMNLVLCBTMQ-UHFFFAOYSA-N 0 0 238.121 1.781 10 5 BDBERN Cn1c(=O)ccc2c([N+](=O)[O-])cccc21 ZINC000115481462 388696165 /nfs/dbraw/zinc/69/61/65/388696165.db2.gz FNEPMMJDCROXSK-UHFFFAOYSA-N 0 0 204.185 1.447 10 5 BDBERN Cc1nc(N)c([N+](=O)[O-])c(C)c1Cl ZINC000095930616 388792214 /nfs/dbraw/zinc/79/22/14/388792214.db2.gz YHCVXLAUUQMSRO-UHFFFAOYSA-N 0 0 201.613 1.842 10 5 BDBERN O=C1NCC[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000095221123 388762059 /nfs/dbraw/zinc/76/20/59/388762059.db2.gz XAUYVRCLBBPOOV-VIFPVBQESA-N 0 0 206.201 1.198 10 5 BDBERN COC(=O)c1nn(-c2ccccc2)cc1[N+](=O)[O-] ZINC000090513780 388789395 /nfs/dbraw/zinc/78/93/95/388789395.db2.gz DSBOVOHYAGJKFA-UHFFFAOYSA-N 0 0 247.210 1.567 10 5 BDBERN COC(=O)c1cc(F)cc([N+](=O)[O-])c1C(C)=O ZINC000095932184 388791011 /nfs/dbraw/zinc/79/10/11/388791011.db2.gz BLYUJXQMBPMWTR-UHFFFAOYSA-N 0 0 241.174 1.723 10 5 BDBERN Cn1cc(Oc2ncccc2[N+](=O)[O-])cn1 ZINC000302256071 388840911 /nfs/dbraw/zinc/84/09/11/388840911.db2.gz BXZAFPHBUHGZJH-UHFFFAOYSA-N 0 0 220.188 1.516 10 5 BDBERN O=[N+]([O-])c1ccc(N2CCCC[C@@H]2CO)nc1 ZINC000040429673 132347325 /nfs/dbraw/zinc/34/73/25/132347325.db2.gz DJHWPWSMHRXTQB-SNVBAGLBSA-N 0 0 237.259 1.341 10 5 BDBERN C[C@@H](CNc1ccc([N+](=O)[O-])cc1)[S@](C)=O ZINC000159725886 134788750 /nfs/dbraw/zinc/78/87/50/134788750.db2.gz ISPVTFGUJYKCEG-ZKANADHPSA-N 0 0 242.300 1.774 10 5 BDBERN CC(C)Nc1ncnc(N(C)C)c1[N+](=O)[O-] ZINC000040597290 167151286 /nfs/dbraw/zinc/15/12/86/167151286.db2.gz BJIBBKPIYMNWFJ-UHFFFAOYSA-N 0 0 225.252 1.271 10 5 BDBERN CN1CCO[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000090505119 173109074 /nfs/dbraw/zinc/10/90/74/173109074.db2.gz LXYOFLLHFGLZOU-NSHDSACASA-N 0 0 222.244 1.598 10 5 BDBERN COC(=O)c1csc2cc([N+](=O)[O-])cnc12 ZINC000037593647 173913850 /nfs/dbraw/zinc/91/38/50/173913850.db2.gz ILTHBPFCJVSLDF-UHFFFAOYSA-N 0 0 238.224 1.991 10 5 BDBERN COc1ccc(NCCO)c([N+](=O)[O-])c1 ZINC000005319265 175150813 /nfs/dbraw/zinc/15/08/13/175150813.db2.gz WCBLXRCPLCDWCS-UHFFFAOYSA-N 0 0 212.205 1.008 10 5 BDBERN COc1ccc(NCc2ncc[nH]2)c([N+](=O)[O-])c1 ZINC000049715163 175152854 /nfs/dbraw/zinc/15/28/54/175152854.db2.gz XOOWPOQEKLJFAO-UHFFFAOYSA-N 0 0 248.242 1.939 10 5 BDBERN COc1ccc(N[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000104066324 175153827 /nfs/dbraw/zinc/15/38/27/175153827.db2.gz YQRVLDOJRHMNQE-MRVPVSSYSA-N 0 0 238.243 1.804 10 5 BDBERN C[C@@H]1CCCN1C(=O)c1cc(N)ccc1[N+](=O)[O-] ZINC000050692994 176107487 /nfs/dbraw/zinc/10/74/87/176107487.db2.gz KKHHQMFCNPJZTO-MRVPVSSYSA-N 0 0 249.270 1.802 10 5 BDBERN C[C@H](CCO)Nc1cc(CO)ccc1[N+](=O)[O-] ZINC000302017045 176638036 /nfs/dbraw/zinc/63/80/36/176638036.db2.gz COGVHIFWXAKQMY-MRVPVSSYSA-N 0 0 240.259 1.270 10 5 BDBERN C[C@H](O)c1ccc(-n2cccn2)c([N+](=O)[O-])c1 ZINC000035631798 177016543 /nfs/dbraw/zinc/01/65/43/177016543.db2.gz FCBXXRLBKUECKL-QMMMGPOBSA-N 0 0 233.227 1.834 10 5 BDBERN C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[N+](=O)[O-] ZINC000096032620 177151418 /nfs/dbraw/zinc/15/14/18/177151418.db2.gz QZCNPUUDAUMBEN-IUCAKERBSA-N 0 0 244.291 1.909 10 5 BDBERN C[C@H]1C[C@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000052303696 177385010 /nfs/dbraw/zinc/38/50/10/177385010.db2.gz SGHBJFCDSXPGMS-IMTBSYHQSA-N 0 0 235.243 1.315 10 5 BDBERN C[C@H]1C[C@H]1Nc1cc(N)ccc1[N+](=O)[O-] ZINC000193407945 177386140 /nfs/dbraw/zinc/38/61/40/177386140.db2.gz OUIAWQYKXHFYAI-POYBYMJQSA-N 0 0 207.233 1.997 10 5 BDBERN C[C@H]1C[C@H]1Nc1cc2c(cc1[N+](=O)[O-])CC(=O)N2 ZINC000052290864 177386343 /nfs/dbraw/zinc/38/63/43/177386343.db2.gz LBLWTPDHJUGGFS-POYBYMJQSA-N 0 0 247.254 1.910 10 5 BDBERN Cc1c(NC[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000062723706 177618241 /nfs/dbraw/zinc/61/82/41/177618241.db2.gz DBDPGEQZTVSACB-SSDOTTSWSA-N 0 0 210.233 1.696 10 5 BDBERN O=C1NC[C@@H](c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000536949551 323951516 /nfs/dbraw/zinc/95/15/16/323951516.db2.gz AQDOQAMWFCDYQI-NSHDSACASA-N 0 0 246.266 1.979 10 5 BDBERN O=[N+]([O-])c1cnn(CC2COC2)c1Cl ZINC000095803741 491077850 /nfs/dbraw/zinc/07/78/50/491077850.db2.gz KYALKMBPVIHJLL-UHFFFAOYSA-N 0 0 217.612 1.091 10 5 BDBERN C[C@@H](O)[C@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000309041890 631825941 /nfs/dbraw/zinc/82/59/41/631825941.db2.gz LRQVTYUQZGMLGC-NKWVEPMBSA-N 0 0 211.221 1.171 10 5 BDBERN COC1CC(Nc2ncc([N+](=O)[O-])cc2C)C1 ZINC000230601885 632828668 /nfs/dbraw/zinc/82/86/68/632828668.db2.gz GDSNIYOGAMQZGX-UHFFFAOYSA-N 0 0 237.259 1.888 10 5 BDBERN COc1cc(N[C@H](C)[C@H](C)O)ccc1[N+](=O)[O-] ZINC000343782073 636773392 /nfs/dbraw/zinc/77/33/92/636773392.db2.gz AXSNITPCKMXSIE-SFYZADRCSA-N 0 0 240.259 1.785 10 5 BDBERN Cc1cccc(N[C@H]2CNOC2)c1[N+](=O)[O-] ZINC000722471816 711758796 /nfs/dbraw/zinc/75/87/96/711758796.db2.gz FQGGOCUELDEAPH-QMMMGPOBSA-N 0 0 223.232 1.219 10 5 BDBERN COCC1CC(Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000713935939 712474101 /nfs/dbraw/zinc/47/41/01/712474101.db2.gz RAXHPWQPCJSJIZ-UHFFFAOYSA-N 0 0 238.247 1.222 10 5 BDBERN Cc1cc(Cl)c2[nH]nc([N+](=O)[O-])c2n1 ZINC000080273618 178062051 /nfs/dbraw/zinc/06/20/51/178062051.db2.gz CDLYONZTLZKNDC-UHFFFAOYSA-N 0 0 212.596 1.828 10 5 BDBERN O=[N+]([O-])c1cc2nnoc2c([N+](=O)[O-])c1 ZINC000002041213 342715190 /nfs/dbraw/zinc/71/51/90/342715190.db2.gz IFYCOVMLDMKOHK-UHFFFAOYSA-N 0 0 210.105 1.039 10 5 BDBERN N#CC1=C(N)Oc2ccccc2[C@@H]1C[N+](=O)[O-] ZINC000143951538 361979811 /nfs/dbraw/zinc/97/98/11/361979811.db2.gz GVHATMLORGLBJM-VIFPVBQESA-N 0 0 231.211 1.133 10 5 BDBERN CCC[C@H]1C[C@H]1Nc1c([N+](=O)[O-])ncn1C ZINC000231664192 398325925 /nfs/dbraw/zinc/32/59/25/398325925.db2.gz KYZHGVGMIOMNFJ-JGVFFNPUSA-N 0 0 224.264 1.929 10 5 BDBERN COC(=O)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000038674513 343106828 /nfs/dbraw/zinc/10/68/28/343106828.db2.gz BMEGPQWWGNIMRD-UHFFFAOYSA-N 0 0 229.619 1.964 10 5 BDBERN Nc1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000034330032 343142559 /nfs/dbraw/zinc/14/25/59/343142559.db2.gz OYEGYZKYEVYAFG-UHFFFAOYSA-N 0 0 204.189 1.363 10 5 BDBERN COc1ncc(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000309323233 343271012 /nfs/dbraw/zinc/27/10/12/343271012.db2.gz PYEKPPHCDBMUGR-UHFFFAOYSA-N 0 0 238.121 1.897 10 5 BDBERN O=[N+]([O-])c1ncc(OC(F)(F)F)cc1CO ZINC000309365238 343333211 /nfs/dbraw/zinc/33/32/11/343333211.db2.gz OIDBKRMQPYZMIU-UHFFFAOYSA-N 0 0 238.121 1.381 10 5 BDBERN Cn1nc([N+](=O)[O-])cc1CO[C@@H]1CCCCO1 ZINC000217660971 344203137 /nfs/dbraw/zinc/20/31/37/344203137.db2.gz TWWWXASHHUGWDN-SNVBAGLBSA-N 0 0 241.247 1.372 10 5 BDBERN O=[N+]([O-])c1cc(CO)c(OC(F)(F)F)cn1 ZINC000309364358 347041698 /nfs/dbraw/zinc/04/16/98/347041698.db2.gz NJOGJULDUQDAJI-UHFFFAOYSA-N 0 0 238.121 1.381 10 5 BDBERN Cc1ccc(Cn2ncc([N+](=O)[O-])c2N)o1 ZINC000043669457 178667222 /nfs/dbraw/zinc/66/72/22/178667222.db2.gz FQUZDAUXUMVUPZ-UHFFFAOYSA-N 0 0 222.204 1.323 10 5 BDBERN O=[N+]([O-])c1cnccc1OC(F)(F)F ZINC000238539139 345072853 /nfs/dbraw/zinc/07/28/53/345072853.db2.gz JUOBXBFCHNOEJA-UHFFFAOYSA-N 0 0 208.095 1.888 10 5 BDBERN COc1cc([N+](=O)[O-])c(C(N)=O)cc1C ZINC000146195436 345093782 /nfs/dbraw/zinc/09/37/82/345093782.db2.gz SNSKNUKKYQGGIX-UHFFFAOYSA-N 0 0 210.189 1.011 10 5 BDBERN Cc1cc(Nc2ccc([N+](=O)[O-])cn2)nn1C ZINC000092826161 345644793 /nfs/dbraw/zinc/64/47/93/345644793.db2.gz OQUUKLWJAKGKFM-UHFFFAOYSA-N 0 0 233.231 1.775 10 5 BDBERN COc1cc([N+](=O)[O-])ccc1-n1cnc(C)n1 ZINC000113996428 345755762 /nfs/dbraw/zinc/75/57/62/345755762.db2.gz CCLWURIPFUHRBY-UHFFFAOYSA-N 0 0 234.215 1.493 10 5 BDBERN COC(=O)c1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC000096321005 346112995 /nfs/dbraw/zinc/11/29/95/346112995.db2.gz WPZUBZHDSRUYFB-UHFFFAOYSA-N 0 0 220.184 1.863 10 5 BDBERN CN1CCOc2ccc([N+](=O)[O-])cc2C1=O ZINC000034320351 346247323 /nfs/dbraw/zinc/24/73/23/346247323.db2.gz GILUHXKYLAFBER-UHFFFAOYSA-N 0 0 222.200 1.059 10 5 BDBERN Cc1c(Cl)nc2ccc([N+](=O)[O-])cn2c1=O ZINC000725244985 537999696 /nfs/dbraw/zinc/99/96/96/537999696.db2.gz PDNGDVVLQLZZRB-UHFFFAOYSA-N 0 0 239.618 1.565 10 5 BDBERN Cc1cc(N[C@@H]2CCNC2=O)ccc1[N+](=O)[O-] ZINC000596312851 348504589 /nfs/dbraw/zinc/50/45/89/348504589.db2.gz ZYPHBYIRXUHRJJ-SECBINFHSA-N 0 0 235.243 1.204 10 5 BDBERN O=[N+]([O-])c1cc(F)ccc1NC1CC(CO)C1 ZINC000596566564 348580289 /nfs/dbraw/zinc/58/02/89/348580289.db2.gz DPEMDBCQRMGVBG-UHFFFAOYSA-N 0 0 240.234 1.917 10 5 BDBERN CN1Cc2cc([N+](=O)[O-])ccc2NC1=O ZINC000200977950 348760948 /nfs/dbraw/zinc/76/09/48/348760948.db2.gz OIZTYWMGRNOPKW-UHFFFAOYSA-N 0 0 207.189 1.572 10 5 BDBERN Cn1ncc(N)c1-c1cc([N+](=O)[O-])ccc1F ZINC000725263969 538090798 /nfs/dbraw/zinc/09/07/98/538090798.db2.gz YIAIYVZJRBRQEG-UHFFFAOYSA-N 0 0 236.206 1.717 10 5 BDBERN O=Cc1[nH]nc2cc([N+](=O)[O-])cc(F)c12 ZINC000014984772 350474367 /nfs/dbraw/zinc/47/43/67/350474367.db2.gz YGHOQPQUHRNRJT-UHFFFAOYSA-N 0 0 209.136 1.423 10 5 BDBERN C[C@H]1C[C@H]1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000076077962 362968725 /nfs/dbraw/zinc/96/87/25/362968725.db2.gz WKHKPEDCEVBRAI-GZMMTYOYSA-N 0 0 249.270 1.802 10 5 BDBERN O=[N+]([O-])c1cccc2c1CC[C@@H]2N1CCOCC1 ZINC000725270513 538101867 /nfs/dbraw/zinc/10/18/67/538101867.db2.gz ALTPFCRJCBQLSA-LBPRGKRZSA-N 0 0 248.282 1.914 10 5 BDBERN CC(C)(C)[C@@H](O)CNc1cccnc1[N+](=O)[O-] ZINC000324360365 356869510 /nfs/dbraw/zinc/86/95/10/356869510.db2.gz QUYLHQNUWXIKJS-VIFPVBQESA-N 0 0 239.275 1.809 10 5 BDBERN COC(=O)Cc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000168724630 357198692 /nfs/dbraw/zinc/19/86/92/357198692.db2.gz IKTIWHBHDFIMBH-UHFFFAOYSA-N 0 0 244.634 1.546 10 5 BDBERN O=[N+]([O-])[C@@H](Cc1ccccc1)[C@H](O)CF ZINC000035572163 358003771 /nfs/dbraw/zinc/00/37/71/358003771.db2.gz WPLCHTDCGSUFBC-VHSXEESVSA-N 0 0 213.208 1.205 10 5 BDBERN COC(=O)C[C@H](C[N+](=O)[O-])c1ccc(F)cc1 ZINC000584610866 358274554 /nfs/dbraw/zinc/27/45/54/358274554.db2.gz QOYDVRNDDXCPHE-SECBINFHSA-N 0 0 241.218 1.749 10 5 BDBERN Cc1cc(=O)oc2cc(N)c([N+](=O)[O-])cc12 ZINC000584639733 358325576 /nfs/dbraw/zinc/32/55/76/358325576.db2.gz FBIMDOBMYSWGNG-UHFFFAOYSA-N 0 0 220.184 1.592 10 5 BDBERN Nc1ccc([N+](=O)[O-])c(C(F)(F)F)n1 ZINC000306255597 359475130 /nfs/dbraw/zinc/47/51/30/359475130.db2.gz MVZYRXSZBIZLSN-UHFFFAOYSA-N 0 0 207.111 1.591 10 5 BDBERN CCOc1c(OC)cc(C=O)cc1[N+](=O)[O-] ZINC000036225379 360742868 /nfs/dbraw/zinc/74/28/68/360742868.db2.gz NYTCVYBGCCRMSF-UHFFFAOYSA-N 0 0 225.200 1.815 10 5 BDBERN NC(=S)c1cc([N+](=O)[O-])ccc1F ZINC000083343326 181320291 /nfs/dbraw/zinc/32/02/91/181320291.db2.gz NPBWHNVQJSJNSW-UHFFFAOYSA-N 0 0 200.194 1.368 10 5 BDBERN NC(=S)c1cc(F)cc([N+](=O)[O-])c1 ZINC000083343327 181320646 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/nfs/dbraw/zinc/83/77/84/368837784.db2.gz OTUTVZBRKAKMKO-XVKPBYJWSA-N 0 0 211.217 1.257 10 5 BDBERN C=Cc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000115993205 368946905 /nfs/dbraw/zinc/94/69/05/368946905.db2.gz CUXYQERTCGCTFZ-UHFFFAOYSA-N 0 0 227.241 1.641 10 5 BDBERN COC(=O)C[C@](C)(C[N+](=O)[O-])c1cccnc1 ZINC000118545009 371030851 /nfs/dbraw/zinc/03/08/51/371030851.db2.gz DBINZYJYVVKGET-LLVKDONJSA-N 0 0 238.243 1.179 10 5 BDBERN CNc1ccc(C(C[N+](=O)[O-])C[N+](=O)[O-])cc1 ZINC000216180321 371710056 /nfs/dbraw/zinc/71/00/56/371710056.db2.gz CJCKDEJPURDWKL-UHFFFAOYSA-N 0 0 239.231 1.365 10 5 BDBERN C[C@@H]1C[C@@H]1NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601034665 371722934 /nfs/dbraw/zinc/72/29/34/371722934.db2.gz GNLBTARJJHHECQ-SVRRBLITSA-N 0 0 238.218 1.872 10 5 BDBERN O=[N+]([O-])c1ccc(N[C@H]2CCC[C@H](O)C2)cn1 ZINC000603865775 371937552 /nfs/dbraw/zinc/93/75/52/371937552.db2.gz QMKSKRXCCJLRIH-WPRPVWTQSA-N 0 0 237.259 1.705 10 5 BDBERN Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCC[C@@H](O)C1 ZINC000603865800 371937774 /nfs/dbraw/zinc/93/77/74/371937774.db2.gz SDCACUOWKXYVSM-HTQZYQBOSA-N 0 0 240.263 1.044 10 5 BDBERN CC(=O)O[C@@H](c1ccccc1)[C@H](C)[N+](=O)[O-] ZINC000039221769 372910422 /nfs/dbraw/zinc/91/04/22/372910422.db2.gz LCNVWDVWJBEJTA-GZMMTYOYSA-N 0 0 223.228 1.956 10 5 BDBERN O=Cc1cc(OC2CC2)cc([N+](=O)[O-])c1 ZINC000095741383 182862687 /nfs/dbraw/zinc/86/26/87/182862687.db2.gz CBLHUYOXHXIEEY-UHFFFAOYSA-N 0 0 207.185 1.949 10 5 BDBERN O=[N+]([O-])c1ccc2[nH]nc(-c3ncccn3)c2c1 ZINC000211570309 182941645 /nfs/dbraw/zinc/94/16/45/182941645.db2.gz XIYPXHZZUVWYSX-UHFFFAOYSA-N 0 0 241.210 1.928 10 5 BDBERN CCC[NH2+]Cc1ccc([O-])c([N+](=O)[O-])c1 ZINC000048408897 169267015 /nfs/dbraw/zinc/26/70/15/169267015.db2.gz LVBOBKQDAFJJTQ-UHFFFAOYSA-N 0 0 210.233 1.800 10 5 BDBERN Nc1n[nH]c2c1cnc1nc3ccccc3n12 ZINC000072416465 384113492 /nfs/dbraw/zinc/11/34/92/384113492.db2.gz HCBLGYHKQFZCCO-UHFFFAOYSA-N 0 0 224.227 1.341 10 5 BDBERN O=[N+]([O-])c1cc(-c2ncon2)ccc1F ZINC000096102585 384209251 /nfs/dbraw/zinc/20/92/51/384209251.db2.gz ZIKOCNPWOFPDPO-UHFFFAOYSA-N 0 0 209.136 1.784 10 5 BDBERN COC[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000103360677 384609216 /nfs/dbraw/zinc/60/92/16/384609216.db2.gz PLXOUKNMNINZCY-MRVPVSSYSA-N 0 0 238.243 1.816 10 5 BDBERN CCOC(=O)c1cc(OC)c(F)c([N+](=O)[O-])c1 ZINC000575702280 384755827 /nfs/dbraw/zinc/75/58/27/384755827.db2.gz MRLAPQBYRFLWQP-UHFFFAOYSA-N 0 0 243.190 1.919 10 5 BDBERN CCOC(=O)c1c(N)ccc([N+](=O)[O-])c1C ZINC000575724969 384911738 /nfs/dbraw/zinc/91/17/38/384911738.db2.gz CZFOGBTVQKFHLK-UHFFFAOYSA-N 0 0 224.216 1.662 10 5 BDBERN O=[N+]([O-])c1ccc(N2CC=CS2(=O)=O)cc1 ZINC000584623294 385645075 /nfs/dbraw/zinc/64/50/75/385645075.db2.gz DVJPEUWPMCQHKC-UHFFFAOYSA-N 0 0 240.240 1.258 10 5 BDBERN CC[C@H](C[N+](=O)[O-])n1nnc2ccccc21 ZINC000015780447 386494983 /nfs/dbraw/zinc/49/49/83/386494983.db2.gz FOOPTWIJSIJPPG-MRVPVSSYSA-N 0 0 220.232 1.659 10 5 BDBERN O=[N+]([O-])c1ccc(F)c(Cl)c1CO ZINC000575436494 387117766 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/nfs/dbraw/zinc/44/33/65/387443365.db2.gz CIJAQBAVWTVEIL-UHFFFAOYSA-N 0 0 234.158 1.787 10 5 BDBERN CCOc1ccc(OCC)c([N+](=O)[O-])c1N ZINC000575721489 387444290 /nfs/dbraw/zinc/44/42/90/387444290.db2.gz MTCQRFCKFQXLAO-UHFFFAOYSA-N 0 0 226.232 1.974 10 5 BDBERN COc1ccc([N+](=O)[O-])c(OC(F)F)c1N ZINC000575721627 387444339 /nfs/dbraw/zinc/44/43/39/387444339.db2.gz UXXGEWGZPSQMKM-UHFFFAOYSA-N 0 0 234.158 1.787 10 5 BDBERN COc1c(N)cc([N+](=O)[O-])cc1OC(F)F ZINC000575721641 387444786 /nfs/dbraw/zinc/44/47/86/387444786.db2.gz VPLOFWYVUCRYED-UHFFFAOYSA-N 0 0 234.158 1.787 10 5 BDBERN CCOC(=O)c1ccc(N)c(C)c1[N+](=O)[O-] ZINC000575725005 387459203 /nfs/dbraw/zinc/45/92/03/387459203.db2.gz DKTAIRPQFSUQQX-UHFFFAOYSA-N 0 0 224.216 1.662 10 5 BDBERN CCOC(=O)Cc1cc([N+](=O)[O-])cc(F)c1N ZINC000575725150 387459576 /nfs/dbraw/zinc/45/95/76/387459576.db2.gz UIDHGWCCURPCST-UHFFFAOYSA-N 0 0 242.206 1.422 10 5 BDBERN CCOc1cc(F)c(C(N)=O)cc1[N+](=O)[O-] ZINC000575697404 387391130 /nfs/dbraw/zinc/39/11/30/387391130.db2.gz DHZAARPCWFMJHK-UHFFFAOYSA-N 0 0 228.179 1.232 10 5 BDBERN CCOc1cc(OC)c(C(N)=O)c([N+](=O)[O-])c1 ZINC000575698483 387394066 /nfs/dbraw/zinc/39/40/66/387394066.db2.gz RTXSAYIAYFSFMU-UHFFFAOYSA-N 0 0 240.215 1.101 10 5 BDBERN CCOc1cc(C)c([N+](=O)[O-])c(C(N)=O)c1 ZINC000575698661 387398362 /nfs/dbraw/zinc/39/83/62/387398362.db2.gz COJONVJQDUNYLM-UHFFFAOYSA-N 0 0 224.216 1.401 10 5 BDBERN CCOC(=O)c1cc([N+](=O)[O-])cc(O)c1N ZINC000575724966 387460402 /nfs/dbraw/zinc/46/04/02/387460402.db2.gz OTXBQZHHJVXBQX-UHFFFAOYSA-N 0 0 226.188 1.059 10 5 BDBERN O=[N+]([O-])c1ccc(N2CC3(COC3)C2)cc1 ZINC000584626870 387503684 /nfs/dbraw/zinc/50/36/84/387503684.db2.gz FBSMLDPSAVWKFM-UHFFFAOYSA-N 0 0 220.228 1.431 10 5 BDBERN CCOC(=O)Cc1cc(C)c([N+](=O)[O-])cc1N ZINC000575727644 387463618 /nfs/dbraw/zinc/46/36/18/387463618.db2.gz YHKMHLWZGHLYBP-UHFFFAOYSA-N 0 0 238.243 1.591 10 5 BDBERN Nc1ccc([N+](=O)[O-])c(OC(F)(F)F)c1O ZINC000575728381 387465995 /nfs/dbraw/zinc/46/59/95/387465995.db2.gz OAULXYSHECQZLD-UHFFFAOYSA-N 0 0 238.121 1.781 10 5 BDBERN COC(=O)Cc1ccc(N)c([N+](=O)[O-])c1Cl ZINC000575730361 387471685 /nfs/dbraw/zinc/47/16/85/387471685.db2.gz RGNWKJJGMMGLDS-UHFFFAOYSA-N 0 0 244.634 1.546 10 5 BDBERN COC[C@@H](O)CN(C)c1ccc([N+](=O)[O-])cc1 ZINC000042525568 388095367 /nfs/dbraw/zinc/09/53/67/388095367.db2.gz XLDNMKVQFVTRNS-NSHDSACASA-N 0 0 240.259 1.038 10 5 BDBERN O=[N+]([O-])c1csnc1Br ZINC000521398997 256863195 /nfs/dbraw/zinc/86/31/95/256863195.db2.gz URSKGLODXRZCTH-UHFFFAOYSA-N 0 0 209.024 1.814 10 5 BDBERN CCOC(=O)Cc1cc(F)cc([N+](=O)[O-])c1 ZINC000260177921 388725776 /nfs/dbraw/zinc/72/57/76/388725776.db2.gz TUWWPWUXUKITJS-UHFFFAOYSA-N 0 0 227.191 1.840 10 5 BDBERN C[C@@H]1NC(=O)CC[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000281688109 388806819 /nfs/dbraw/zinc/80/68/19/388806819.db2.gz RQEWPKGKMPPBFT-DTWKUNHWSA-N 0 0 249.270 1.674 10 5 BDBERN C[C@@H](O)CCNc1cc(CO)ccc1[N+](=O)[O-] ZINC000302024813 388835359 /nfs/dbraw/zinc/83/53/59/388835359.db2.gz HGHOZZDAPNEAAU-MRVPVSSYSA-N 0 0 240.259 1.270 10 5 BDBERN Cc1cc(-c2ccc([N+](=O)[O-])cc2)nc(N)n1 ZINC000052837940 177684402 /nfs/dbraw/zinc/68/44/02/177684402.db2.gz LVEHTOHARJNPAR-UHFFFAOYSA-N 0 0 230.227 1.942 10 5 BDBERN O=[N+]([O-])c1cccnc1N1CCCC[C@H]1CO ZINC000040418549 132347350 /nfs/dbraw/zinc/34/73/50/132347350.db2.gz NPAQOVQZKLAZBG-VIFPVBQESA-N 0 0 237.259 1.341 10 5 BDBERN C[C@H]1CN(C)CCN1c1ncccc1[N+](=O)[O-] ZINC000408114074 134396862 /nfs/dbraw/zinc/39/68/62/134396862.db2.gz VUDJRZDUMYHGMA-VIFPVBQESA-N 0 0 236.275 1.130 10 5 BDBERN O=[N+]([O-])c1ccc(N2CC[C@H](CCO)C2)cn1 ZINC000078365850 135119461 /nfs/dbraw/zinc/11/94/61/135119461.db2.gz IJKOBWIUNWMIQF-SECBINFHSA-N 0 0 237.259 1.199 10 5 BDBERN CN(CC1CC(O)C1)c1ccncc1[N+](=O)[O-] ZINC000091498708 135562191 /nfs/dbraw/zinc/56/21/91/135562191.db2.gz ZMXWNGBMDUZCNF-UHFFFAOYSA-N 0 0 237.259 1.197 10 5 BDBERN Cc1c(C)c2c(c([N+](=O)[O-])c1[O-])CCC(=O)O2 ZINC000169377932 397811470 /nfs/dbraw/zinc/81/14/70/397811470.db2.gz KHKUQDOHBAPRBW-UHFFFAOYSA-N 0 0 237.211 1.769 10 5 BDBERN CCOC(=O)c1cc([N+](=O)[O-])cc(N)c1O ZINC000575725863 398069671 /nfs/dbraw/zinc/06/96/71/398069671.db2.gz WTDUPPWSLVNMLR-UHFFFAOYSA-N 0 0 226.188 1.059 10 5 BDBERN CC1=CC(=O)N(c2ccc([N+](=O)[O-])cc2C)C1=O ZINC000049942798 168091888 /nfs/dbraw/zinc/09/18/88/168091888.db2.gz WFGIZLUYHWTGFF-UHFFFAOYSA-N 0 0 246.222 1.723 10 5 BDBERN CCNc1ncnc(N(CC)CC)c1[N+](=O)[O-] ZINC000040596085 170178287 /nfs/dbraw/zinc/17/82/87/170178287.db2.gz AGPXLVVGSAUWMX-UHFFFAOYSA-N 0 0 239.279 1.663 10 5 BDBERN CCOC(=O)CNc1cc(F)ccc1[N+](=O)[O-] ZINC000038525325 170227058 /nfs/dbraw/zinc/22/70/58/170227058.db2.gz RFRSVYCGLNMJBT-UHFFFAOYSA-N 0 0 242.206 1.709 10 5 BDBERN CCc1nccn1Cc1ccc([N+](=O)[O-])o1 ZINC000104301597 172027509 /nfs/dbraw/zinc/02/75/09/172027509.db2.gz FHGJNRXAXWPOOP-UHFFFAOYSA-N 0 0 221.216 1.995 10 5 BDBERN CN(C)C(=O)Oc1ccccc1[N+](=O)[O-] ZINC000005688732 172382738 /nfs/dbraw/zinc/38/27/38/172382738.db2.gz YGFKASVNJRLCHR-UHFFFAOYSA-N 0 0 210.189 1.655 10 5 BDBERN CN1CCO[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000090505123 173102947 /nfs/dbraw/zinc/10/29/47/173102947.db2.gz LXYOFLLHFGLZOU-LLVKDONJSA-N 0 0 222.244 1.598 10 5 BDBERN CNC(=O)[C@H](C)Nc1cccc([N+](=O)[O-])c1 ZINC000007116067 173304021 /nfs/dbraw/zinc/30/40/21/173304021.db2.gz YCYPERRJXOKTAU-ZETCQYMHSA-N 0 0 223.232 1.141 10 5 BDBERN CNC(=O)[C@H](C)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000042571603 173304121 /nfs/dbraw/zinc/30/41/21/173304121.db2.gz OQOSFPOEHCVAHG-LURJTMIESA-N 0 0 241.222 1.280 10 5 BDBERN COC(=O)[C@@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000035661045 173692265 /nfs/dbraw/zinc/69/22/65/173692265.db2.gz IVJIPLQGUWDKSX-SSDOTTSWSA-N 0 0 224.216 1.568 10 5 BDBERN COC(=O)c1scc([N+](=O)[O-])c1N ZINC000039085144 173923336 /nfs/dbraw/zinc/92/33/36/173923336.db2.gz DMEXFZJNWMIHRA-UHFFFAOYSA-N 0 0 202.191 1.025 10 5 BDBERN COCCNc1ccc(C[NH3+])cc1[N+](=O)[O-] ZINC000098124968 174340752 /nfs/dbraw/zinc/34/07/52/174340752.db2.gz ZWHRVCCPTBVNNJ-UHFFFAOYSA-N 0 0 225.248 1.112 10 5 BDBERN COC[C@@H](O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000044373293 174492243 /nfs/dbraw/zinc/49/22/43/174492243.db2.gz QCXYJGJZOZBQJZ-VIFPVBQESA-N 0 0 240.259 1.038 10 5 BDBERN COc1cc(C(C)=O)c(OC)c([N+](=O)[O-])c1 ZINC000098179172 174950871 /nfs/dbraw/zinc/95/08/71/174950871.db2.gz OOUOLSVUTCEZNC-UHFFFAOYSA-N 0 0 225.200 1.815 10 5 BDBERN COc1cc([N+](=O)[O-])cc(/C=C/CO)c1O ZINC000040545464 175017840 /nfs/dbraw/zinc/01/78/40/175017840.db2.gz XLODYYSQASFKFO-NSCUHMNNSA-N 0 0 225.200 1.315 10 5 BDBERN COc1cnc([N+](=O)[O-])c(OC2CC2)c1 ZINC000095729524 175382253 /nfs/dbraw/zinc/38/22/53/175382253.db2.gz UJZJUTUELNCFBZ-UHFFFAOYSA-N 0 0 210.189 1.540 10 5 BDBERN C[C@@H](c1ccc([N+](=O)[O-])cc1)n1nccc1N ZINC000019689135 176016787 /nfs/dbraw/zinc/01/67/87/176016787.db2.gz QAZQIEWJORJFIP-QMMMGPOBSA-N 0 0 232.243 1.983 10 5 BDBERN C[C@@H]1C[C@@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000133873263 176403560 /nfs/dbraw/zinc/40/35/60/176403560.db2.gz DFLYRHWVOBHEJY-MUWHJKNJSA-N 0 0 238.218 1.872 10 5 BDBERN Cc1c(CC(N)=S)cccc1[N+](=O)[O-] ZINC000083346251 177580258 /nfs/dbraw/zinc/58/02/58/177580258.db2.gz GWHLGXBYSQGIOK-UHFFFAOYSA-N 0 0 210.258 1.732 10 5 BDBERN O=[N+]([O-])c1ncccc1NCC1CC(O)C1 ZINC000122911313 487976357 /nfs/dbraw/zinc/97/63/57/487976357.db2.gz YOIUJXWELPCGLF-UHFFFAOYSA-N 0 0 223.232 1.173 10 5 BDBERN COC(=O)c1cc([N+](=O)[O-])cc2c1OCC=CC2 ZINC000039941635 491110654 /nfs/dbraw/zinc/11/06/54/491110654.db2.gz SYCBSCYQEBEBCJ-UHFFFAOYSA-N 0 0 249.222 1.873 10 5 BDBERN C[C@H](O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000346446877 637142085 /nfs/dbraw/zinc/14/20/85/637142085.db2.gz HVIFUESBCCNMAJ-YUMQZZPRSA-N 0 0 238.243 1.094 10 5 BDBERN Cc1cc(N[C@@H]2CNOC2)ccc1[N+](=O)[O-] ZINC000705584530 712133692 /nfs/dbraw/zinc/13/36/92/712133692.db2.gz MNWAZVAOMGGNDN-SECBINFHSA-N 0 0 223.232 1.219 10 5 BDBERN C[S@@](=N)(=O)Cc1cc(F)cc([N+](=O)[O-])c1 ZINC000150277082 342799267 /nfs/dbraw/zinc/79/92/67/342799267.db2.gz WIWBHVOLNWSPJT-OAHLLOKOSA-N 0 0 232.236 1.910 10 5 BDBERN O=[N+]([O-])c1cnccc1C1=C[C@H](O)CCC1 ZINC000116907639 342939055 /nfs/dbraw/zinc/93/90/55/342939055.db2.gz FYPFYIHEOKDEJC-SECBINFHSA-N 0 0 220.228 1.918 10 5 BDBERN O=[N+]([O-])c1cc([C@@H]2CCC[NH2+]2)ccc1[O-] ZINC000072201971 343068499 /nfs/dbraw/zinc/06/84/99/343068499.db2.gz AHVFNDQFVWCPNY-QMMMGPOBSA-N 0 0 208.217 1.725 10 5 BDBERN O=C([O-])[C@H]1CC[C@@H](c2ccc([N+](=O)[O-])cc2)[NH2+]1 ZINC000584880461 343081138 /nfs/dbraw/zinc/08/11/38/343081138.db2.gz CMDNFCORZWYKCR-VHSXEESVSA-N 0 0 236.227 1.473 10 5 BDBERN O=C1Nc2ccc([N+](=O)[O-])cc2OC1(F)F ZINC000145261377 343157721 /nfs/dbraw/zinc/15/77/21/343157721.db2.gz WYHLWKWDHYYIAK-UHFFFAOYSA-N 0 0 230.126 1.519 10 5 BDBERN CCOc1c([O-])ccc([N+](=O)[O-])c1C=O ZINC000039149582 343386133 /nfs/dbraw/zinc/38/61/33/343386133.db2.gz WNJCZHLWUFGLEA-UHFFFAOYSA-N 0 0 211.173 1.512 10 5 BDBERN Cc1cc(NS(C)(=O)=O)cc(C)c1[N+](=O)[O-] ZINC000204803497 343593856 /nfs/dbraw/zinc/59/38/56/343593856.db2.gz YRYPCYQOIFPZLG-UHFFFAOYSA-N 0 0 244.272 1.583 10 5 BDBERN O=Cc1cncc(OC(F)(F)F)c1[N+](=O)[O-] ZINC000309508200 343644462 /nfs/dbraw/zinc/64/44/62/343644462.db2.gz MZXQWCPTHHLAGN-UHFFFAOYSA-N 0 0 236.105 1.701 10 5 BDBERN COC(=O)c1cc(F)c([N+](=O)[O-])cc1N ZINC000166201995 344787804 /nfs/dbraw/zinc/78/78/04/344787804.db2.gz AORPHFOVAAUFRL-UHFFFAOYSA-N 0 0 214.152 1.103 10 5 BDBERN O=[N+]([O-])c1cccc([C@@H](O)C(F)F)c1 ZINC000238718630 345116856 /nfs/dbraw/zinc/11/68/56/345116856.db2.gz ZBZMLICVGUNQFU-SSDOTTSWSA-N 0 0 203.144 1.893 10 5 BDBERN COc1ccc2c(c1)cc([N+](=O)[O-])c[n+]2[O-] ZINC000137151702 345836649 /nfs/dbraw/zinc/83/66/49/345836649.db2.gz FELBYSRDNOAULZ-UHFFFAOYSA-N 0 0 220.184 1.390 10 5 BDBERN NC(=S)c1nc2cc([N+](=O)[O-])ccc2o1 ZINC000308799469 537974113 /nfs/dbraw/zinc/97/41/13/537974113.db2.gz JRWMQGQXTXVKOQ-UHFFFAOYSA-N 0 0 223.213 1.370 10 5 BDBERN Cc1cccc(NCc2ncnn2C)c1[N+](=O)[O-] ZINC000302495518 179151946 /nfs/dbraw/zinc/15/19/46/179151946.db2.gz MCAKZDQJUJDPGF-UHFFFAOYSA-N 0 0 247.258 1.644 10 5 BDBERN O=c1cc(Cl)nc2ccc([N+](=O)[O-])cn12 ZINC000725245282 538001054 /nfs/dbraw/zinc/00/10/54/538001054.db2.gz SHKXAXBWGIUOMJ-UHFFFAOYSA-N 0 0 225.591 1.256 10 5 BDBERN O=[N+]([O-])c1cccc(CN2CC(O)(C3CC3)C2)c1 ZINC000089678446 362922756 /nfs/dbraw/zinc/92/27/56/362922756.db2.gz BBBFMWSFDULHDT-UHFFFAOYSA-N 0 0 248.282 1.552 10 5 BDBERN Nc1ccc(N[C@@H]2CCC[C@H]3C[C@H]32)nc1[N+](=O)[O-] ZINC000596293250 348489383 /nfs/dbraw/zinc/48/93/83/348489383.db2.gz UUWPUULMXLRQQG-QXFUBDJGSA-N 0 0 248.286 1.594 10 5 BDBERN CNC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000056489925 350119441 /nfs/dbraw/zinc/11/94/41/350119441.db2.gz DHOMQIQBEIIWGI-UHFFFAOYSA-N 0 0 219.200 1.436 10 5 BDBERN CC(C)(C)OC(=O)n1cnc([N+](=O)[O-])c1 ZINC000090469415 191023988 /nfs/dbraw/zinc/02/39/88/191023988.db2.gz OAUBECNLEORJTN-UHFFFAOYSA-N 0 0 213.193 1.575 10 5 BDBERN Cc1nn([C@@H](C)c2ccco2)c(N)c1[N+](=O)[O-] ZINC000043670559 180392009 /nfs/dbraw/zinc/39/20/09/180392009.db2.gz UWMWEIMHEUBZNK-ZETCQYMHSA-N 0 0 236.231 1.884 10 5 BDBERN Cc1cc([N+](=O)[O-])sc1NC[C@H](C)O ZINC000306675802 350826950 /nfs/dbraw/zinc/82/69/50/350826950.db2.gz UKZGRLGWISGYJQ-LURJTMIESA-N 0 0 216.262 1.757 10 5 BDBERN C[C@@H](CNc1ccc([N+](=O)[O-])cn1)[S@](C)=O ZINC000159855937 351018119 /nfs/dbraw/zinc/01/81/19/351018119.db2.gz OUMMTOBYFXOUPU-HYORBCNSSA-N 0 0 243.288 1.169 10 5 BDBERN C=CS(=O)(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000027302686 188465094 /nfs/dbraw/zinc/46/50/94/188465094.db2.gz HBKSXXXCFJATJR-UHFFFAOYSA-N 0 0 242.256 1.158 10 5 BDBERN Cc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2)n1C ZINC000006069606 355803492 /nfs/dbraw/zinc/80/34/92/355803492.db2.gz AENIZEZXKCBOIO-UHFFFAOYSA-N 0 0 233.227 1.393 10 5 BDBERN O=[N+]([O-])c1cccc(OCCCCO)c1 ZINC000035650271 358012874 /nfs/dbraw/zinc/01/28/74/358012874.db2.gz LVKWFAMIAAGFIV-UHFFFAOYSA-N 0 0 211.217 1.746 10 5 BDBERN CCOC(=O)c1ncc([N+](=O)[O-])cc1C ZINC000584629649 358116142 /nfs/dbraw/zinc/11/61/42/358116142.db2.gz NFNYNFQPOYCXBK-UHFFFAOYSA-N 0 0 210.189 1.475 10 5 BDBERN CCOC(=O)c1cn2ccc([N+](=O)[O-])cc2n1 ZINC000584605107 358263856 /nfs/dbraw/zinc/26/38/56/358263856.db2.gz DBQYYLMVOMUMAO-UHFFFAOYSA-N 0 0 235.199 1.419 10 5 BDBERN CC[C@H]([C@H](O)c1cccs1)[N+](=O)[O-] ZINC000584607208 358267107 /nfs/dbraw/zinc/26/71/07/358267107.db2.gz GIFCCXNTVBZYTK-SVRRBLITSA-N 0 0 201.247 1.837 10 5 BDBERN CC(=O)[C@H](C)[C@@H](O)c1ccccc1[N+](=O)[O-] ZINC000584609014 358269847 /nfs/dbraw/zinc/26/98/47/358269847.db2.gz WKHCQWFADOTADN-WRWORJQWSA-N 0 0 223.228 1.853 10 5 BDBERN O=[N+]([O-])c1ccccc1CCC1OCCO1 ZINC000584621290 358288734 /nfs/dbraw/zinc/28/87/34/358288734.db2.gz KTPQLLOMZWVMCS-UHFFFAOYSA-N 0 0 223.228 1.900 10 5 BDBERN O=c1c2cc(F)ccc2nc2ccccn21 ZINC000584625227 358293780 /nfs/dbraw/zinc/29/37/80/358293780.db2.gz KGRIBFUECLOOMC-UHFFFAOYSA-N 0 0 214.199 1.987 10 5 BDBERN CCOC(=O)[C@@H](N)Cc1ccccc1[N+](=O)[O-] ZINC000069553658 359320101 /nfs/dbraw/zinc/32/01/01/359320101.db2.gz BEXGIUAYHSHIDA-VIFPVBQESA-N 0 0 238.243 1.028 10 5 BDBERN CCC[C@H](CC(OC)OC)C[N+](=O)[O-] ZINC000224332128 359329728 /nfs/dbraw/zinc/32/97/28/359329728.db2.gz XVXLEDFDBAOJIQ-MRVPVSSYSA-N 0 0 205.254 1.688 10 5 BDBERN Cn1cc(C=O)c2cc([N+](=O)[O-])ccc21 ZINC000039320459 359529512 /nfs/dbraw/zinc/52/95/12/359529512.db2.gz KFTGWHRQKBLPLH-UHFFFAOYSA-N 0 0 204.185 1.899 10 5 BDBERN Cc1c(Cl)ccc([N+](=O)[O-])c1NN ZINC000306488840 360190162 /nfs/dbraw/zinc/19/01/62/360190162.db2.gz VMSYEDCRFDCMQM-UHFFFAOYSA-N 0 0 201.613 1.842 10 5 BDBERN CC(C)(O)Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000069759979 360409448 /nfs/dbraw/zinc/40/94/48/360409448.db2.gz YWFQPXZFESDSMW-UHFFFAOYSA-N 0 0 219.628 1.216 10 5 BDBERN Cc1c(Cl)cc([N+](=O)[O-])cc1C(N)=O ZINC000306582232 360481289 /nfs/dbraw/zinc/48/12/89/360481289.db2.gz CCPCVAIWIZDZPR-UHFFFAOYSA-N 0 0 214.608 1.656 10 5 BDBERN Nc1cc([N+](=O)[O-])c(OC(F)(F)F)cn1 ZINC000238693732 361182030 /nfs/dbraw/zinc/18/20/30/361182030.db2.gz FWGSKLGTPKVGRR-UHFFFAOYSA-N 0 0 223.110 1.471 10 5 BDBERN Cn1cnc(Br)c1[N+](=O)[O-] ZINC000013207661 361358470 /nfs/dbraw/zinc/35/84/70/361358470.db2.gz BGLUVFAUVMTRAM-UHFFFAOYSA-N 0 0 205.999 1.091 10 5 BDBERN NC(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000034258842 368321833 /nfs/dbraw/zinc/32/18/33/368321833.db2.gz PHNSHHZAOZKADC-UHFFFAOYSA-N 0 0 234.133 1.713 10 5 BDBERN CCOC(=O)c1noc2cccc([N+](=O)[O-])c21 ZINC000096321021 368338286 /nfs/dbraw/zinc/33/82/86/368338286.db2.gz LAZPCAQEIOSKAW-UHFFFAOYSA-N 0 0 236.183 1.913 10 5 BDBERN CCOC(=O)c1noc2ccc([N+](=O)[O-])cc21 ZINC000103303339 368340610 /nfs/dbraw/zinc/34/06/10/368340610.db2.gz LXXBNRPQGFVCRB-UHFFFAOYSA-N 0 0 236.183 1.913 10 5 BDBERN CCCC[C@@H](O)Cc1onc(C)c1[N+](=O)[O-] ZINC000223628853 368364830 /nfs/dbraw/zinc/36/48/30/368364830.db2.gz BGXPXIJBUWLEOH-MRVPVSSYSA-N 0 0 228.248 1.985 10 5 BDBERN O=C1Nc2cc([N+](=O)[O-])c(F)cc2OC1(F)F ZINC000114807485 368953824 /nfs/dbraw/zinc/95/38/24/368953824.db2.gz JBIGFGWWWSYVMN-UHFFFAOYSA-N 0 0 248.116 1.658 10 5 BDBERN Cc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000115064120 370620283 /nfs/dbraw/zinc/62/02/83/370620283.db2.gz LKYCEGBMAQKXGR-UHFFFAOYSA-N 0 0 206.201 1.788 10 5 BDBERN CCNC(=O)c1cc(Cl)ncc1[N+](=O)[O-] ZINC000226424631 371665778 /nfs/dbraw/zinc/66/57/78/371665778.db2.gz KHRAHHPKHQPEMW-UHFFFAOYSA-N 0 0 229.623 1.393 10 5 BDBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CC=CCN1 ZINC000600137961 371644868 /nfs/dbraw/zinc/64/48/68/371644868.db2.gz VXCQJNVUZAMLTJ-UHFFFAOYSA-N 0 0 247.254 1.040 10 5 BDBERN O=c1cc[nH]n1-c1ccc([N+](=O)[O-])cc1 ZINC000162490861 371697152 /nfs/dbraw/zinc/69/71/52/371697152.db2.gz DWZHKXYGTISQMB-UHFFFAOYSA-N 0 0 205.173 1.317 10 5 BDBERN Nc1ncnc(Oc2cccnc2)c1[N+](=O)[O-] ZINC000040608795 181807965 /nfs/dbraw/zinc/80/79/65/181807965.db2.gz OKOVIDLBZAGIQC-UHFFFAOYSA-N 0 0 233.187 1.154 10 5 BDBERN O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@@H](O)C2)nc1 ZINC000603865707 371937943 /nfs/dbraw/zinc/93/79/43/371937943.db2.gz MROAMBDBOAZWOX-PSASIEDQSA-N 0 0 237.259 1.705 10 5 BDBERN Cc1ccc(Cl)c(C(N)=O)c1[N+](=O)[O-] ZINC000306741217 372062461 /nfs/dbraw/zinc/06/24/61/372062461.db2.gz DCCSUPCRUUYGDO-UHFFFAOYSA-N 0 0 214.608 1.656 10 5 BDBERN C=CC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000229551066 372164125 /nfs/dbraw/zinc/16/41/25/372164125.db2.gz LVYXQHWPDNSRHU-UHFFFAOYSA-N 0 0 210.164 1.858 10 5 BDBERN COC(=O)C[C@@H]1CNc2cccc([N+](=O)[O-])c21 ZINC000038418001 372582845 /nfs/dbraw/zinc/58/28/45/372582845.db2.gz FQQXZAAKEQRLBD-SSDOTTSWSA-N 0 0 236.227 1.667 10 5 BDBERN Nc1nc(C(F)(F)F)c([N+](=O)[O-])s1 ZINC000039219753 372907949 /nfs/dbraw/zinc/90/79/49/372907949.db2.gz APOCIEHULBMMKH-UHFFFAOYSA-N 0 0 213.140 1.652 10 5 BDBERN COC(=O)Cc1ccc(O)cc1[N+](=O)[O-] ZINC000141585009 372987151 /nfs/dbraw/zinc/98/71/51/372987151.db2.gz HPENIXPTZDLZMQ-UHFFFAOYSA-N 0 0 211.173 1.016 10 5 BDBERN Cc1nc2cc([N+](=O)[O-])cc(CO)c2[nH]1 ZINC000141793777 373034988 /nfs/dbraw/zinc/03/49/88/373034988.db2.gz LOMWOATWLUWEMA-UHFFFAOYSA-N 0 0 207.189 1.272 10 5 BDBERN O=[N+]([O-])c1c(OC(F)(F)F)ccnc1CO ZINC000381284800 374106148 /nfs/dbraw/zinc/10/61/48/374106148.db2.gz ZFFHTIGCOADNCC-UHFFFAOYSA-N 0 0 238.121 1.381 10 5 BDBERN O=[N+]([O-])c1ccc(CNc2cncnc2)cc1 ZINC000083357168 182930943 /nfs/dbraw/zinc/93/09/43/182930943.db2.gz UWVOKNDGUWJRDW-UHFFFAOYSA-N 0 0 230.227 1.997 10 5 BDBERN O=[N+]([O-])c1cccc(NCc2cc[nH]n2)c1 ZINC000037058776 182946632 /nfs/dbraw/zinc/94/66/32/182946632.db2.gz XLSVWQOWHZYECA-UHFFFAOYSA-N 0 0 218.216 1.930 10 5 BDBERN COC(=O)c1c2c[nH]nc2ccc1[N+](=O)[O-] ZINC000044699942 384355761 /nfs/dbraw/zinc/35/57/61/384355761.db2.gz RZLUWMNBRGUNLT-UHFFFAOYSA-N 0 0 221.172 1.258 10 5 BDBERN C[C@@H]1C[C@@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000075513195 384326949 /nfs/dbraw/zinc/32/69/49/384326949.db2.gz CIJQJFLNVYRPHM-VDTYLAMSSA-N 0 0 226.257 1.795 10 5 BDBERN O=[N+]([O-])c1ccc2c(c1)C[C@H](CO)CC2 ZINC000536952865 384804424 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/nfs/dbraw/zinc/82/48/47/385824847.db2.gz YVWQQGNKZAFPPT-UHFFFAOYSA-N 0 0 225.251 1.912 10 5 BDBERN O=[N+]([O-])c1c[nH]c(NCc2ccccc2)n1 ZINC000307318318 385852792 /nfs/dbraw/zinc/85/27/92/385852792.db2.gz QFXAWPFYLXJXKX-UHFFFAOYSA-N 0 0 218.216 1.930 10 5 BDBERN O=C1NCCCc2ccc([N+](=O)[O-])cc21 ZINC000015809997 386830634 /nfs/dbraw/zinc/83/06/34/386830634.db2.gz ALCQEWWSZKXZPP-UHFFFAOYSA-N 0 0 206.201 1.271 10 5 BDBERN CCOC(=O)c1cc([N+](=O)[O-])sn1 ZINC000575414239 387007242 /nfs/dbraw/zinc/00/72/42/387007242.db2.gz FVGODAWLVWUWCZ-UHFFFAOYSA-N 0 0 202.191 1.228 10 5 BDBERN CCOC(=O)Cc1ccc(F)c(F)c1[N+](=O)[O-] ZINC000575396921 387002934 /nfs/dbraw/zinc/00/29/34/387002934.db2.gz LXBOMIAMVKTZMA-UHFFFAOYSA-N 0 0 245.181 1.979 10 5 BDBERN O=[N+]([O-])c1cnc(F)nc1NCc1ccccc1 ZINC000575462869 387041859 /nfs/dbraw/zinc/04/18/59/387041859.db2.gz GUFFVBLQKSOSEB-UHFFFAOYSA-N 0 0 248.217 1.558 10 5 BDBERN Cc1ccc(OC(F)F)c([N+](=O)[O-])c1CO ZINC000575667387 387317595 /nfs/dbraw/zinc/31/75/95/387317595.db2.gz MSQUWIDVQKZARV-UHFFFAOYSA-N 0 0 233.170 1.997 10 5 BDBERN COc1cc(CO)cc([N+](=O)[O-])c1OC(F)F ZINC000575664508 387291360 /nfs/dbraw/zinc/29/13/60/387291360.db2.gz HMXVKVSCZBLYGV-UHFFFAOYSA-N 0 0 249.169 1.697 10 5 BDBERN CC(=O)c1cc([N+](=O)[O-])c(OC(F)F)cc1N ZINC000575718132 387425316 /nfs/dbraw/zinc/42/53/16/387425316.db2.gz YZXAHVUWCJRLIC-UHFFFAOYSA-N 0 0 246.169 1.981 10 5 BDBERN COC(=O)Cc1cc(F)c(OC)cc1[N+](=O)[O-] ZINC000575715321 387430216 /nfs/dbraw/zinc/43/02/16/387430216.db2.gz WJYQJLKXZVGDRS-UHFFFAOYSA-N 0 0 243.190 1.458 10 5 BDBERN CCOC(=O)c1cc([N+](=O)[O-])cc(OC)c1N ZINC000575724393 387438621 /nfs/dbraw/zinc/43/86/21/387438621.db2.gz FJJKSBXYKRNLFJ-UHFFFAOYSA-N 0 0 240.215 1.362 10 5 BDBERN COc1ccc(N)c([N+](=O)[O-])c1Cl ZINC000575720069 387441618 /nfs/dbraw/zinc/44/16/18/387441618.db2.gz GIUHUIZMLVTBME-UHFFFAOYSA-N 0 0 202.597 1.839 10 5 BDBERN Nc1ccc(O)c(Br)c1[N+](=O)[O-] ZINC000575721094 387442442 /nfs/dbraw/zinc/44/24/42/387442442.db2.gz WNBQGISNNOZEQS-UHFFFAOYSA-N 0 0 233.021 1.645 10 5 BDBERN Nc1cc([N+](=O)[O-])cc(OC(F)F)c1O ZINC000575723188 387446300 /nfs/dbraw/zinc/44/63/00/387446300.db2.gz LFFXKBBTXZMUKY-UHFFFAOYSA-N 0 0 220.131 1.484 10 5 BDBERN CCOc1cc(C)cc([N+](=O)[O-])c1C(N)=O ZINC000575698799 387390665 /nfs/dbraw/zinc/39/06/65/387390665.db2.gz KLDHPOSIKZRKNK-UHFFFAOYSA-N 0 0 224.216 1.401 10 5 BDBERN CCOc1c([N+](=O)[O-])ccc(F)c1CO ZINC000575697718 387390736 /nfs/dbraw/zinc/39/07/36/387390736.db2.gz IOEZRGYLKWMXFP-UHFFFAOYSA-N 0 0 215.180 1.625 10 5 BDBERN CCOc1cc(CO)cc(OC)c1[N+](=O)[O-] ZINC000575698353 387394575 /nfs/dbraw/zinc/39/45/75/387394575.db2.gz LSXBJNBEASKTTK-UHFFFAOYSA-N 0 0 227.216 1.494 10 5 BDBERN CCOc1cc(C=O)c(F)cc1[N+](=O)[O-] ZINC000575695287 387396199 /nfs/dbraw/zinc/39/61/99/387396199.db2.gz DVMUITJHPHVYMO-UHFFFAOYSA-N 0 0 213.164 1.945 10 5 BDBERN CCOc1cc([N+](=O)[O-])c(CO)cc1F ZINC000575697706 387398416 /nfs/dbraw/zinc/39/84/16/387398416.db2.gz IIMRAOVBPJIHPO-UHFFFAOYSA-N 0 0 215.180 1.625 10 5 BDBERN CCOc1c(C)cc([N+](=O)[O-])cc1C(N)=O ZINC000575699712 387403944 /nfs/dbraw/zinc/40/39/44/387403944.db2.gz WJBNGCXWZVTGQA-UHFFFAOYSA-N 0 0 224.216 1.401 10 5 BDBERN CSc1cc(F)c(CO)c([N+](=O)[O-])c1 ZINC000575710147 387414942 /nfs/dbraw/zinc/41/49/42/387414942.db2.gz QHULJROJGYRMMY-UHFFFAOYSA-N 0 0 217.221 1.948 10 5 BDBERN COC(=O)c1c(F)cc([N+](=O)[O-])cc1OC ZINC000575714201 387419084 /nfs/dbraw/zinc/41/90/84/387419084.db2.gz GLIJRICRBCKAAR-UHFFFAOYSA-N 0 0 229.163 1.529 10 5 BDBERN CCOC(=O)Cc1cc(N)c(C)cc1[N+](=O)[O-] ZINC000575726429 387462902 /nfs/dbraw/zinc/46/29/02/387462902.db2.gz PHRFKWUDEAXKHF-UHFFFAOYSA-N 0 0 238.243 1.591 10 5 BDBERN Nc1c(O)ccc(OC(F)(F)F)c1[N+](=O)[O-] ZINC000575726977 387463293 /nfs/dbraw/zinc/46/32/93/387463293.db2.gz AHIVZCYCBJQKLN-UHFFFAOYSA-N 0 0 238.121 1.781 10 5 BDBERN CCOC(=O)c1cc([N+](=O)[O-])cc(C)c1N ZINC000575726329 387463393 /nfs/dbraw/zinc/46/33/93/387463393.db2.gz OEYSBMXZQMRDKS-UHFFFAOYSA-N 0 0 224.216 1.662 10 5 BDBERN CCOC(=O)Cc1cc(C)c(N)c([N+](=O)[O-])c1 ZINC000575727069 387465016 /nfs/dbraw/zinc/46/50/16/387465016.db2.gz TXZNJUSXFPZLMD-UHFFFAOYSA-N 0 0 238.243 1.591 10 5 BDBERN Nc1c([N+](=O)[O-])cc(O)cc1C(F)(F)F ZINC000575728342 387465156 /nfs/dbraw/zinc/46/51/56/387465156.db2.gz NDJJMLFJHLXYTN-UHFFFAOYSA-N 0 0 222.122 1.901 10 5 BDBERN COC(=O)Cc1cc(Cl)cc(N)c1[N+](=O)[O-] ZINC000575728088 387465197 /nfs/dbraw/zinc/46/51/97/387465197.db2.gz AGSGTKLQZKNTGT-UHFFFAOYSA-N 0 0 244.634 1.546 10 5 BDBERN COC(=O)Cc1ccc(N)c(Cl)c1[N+](=O)[O-] ZINC000575730382 387471199 /nfs/dbraw/zinc/47/11/99/387471199.db2.gz RTOCGPROHPLYGH-UHFFFAOYSA-N 0 0 244.634 1.546 10 5 BDBERN O=[N+]([O-])c1cc(Cl)cc2c1OC[C@H](CO)O2 ZINC000096327187 388815682 /nfs/dbraw/zinc/81/56/82/388815682.db2.gz MGLATQBXHTZVGI-LURJTMIESA-N 0 0 245.618 1.380 10 5 BDBERN O=C1CCCCN1c1ccc([N+](=O)[O-])nc1 ZINC000299889674 132223200 /nfs/dbraw/zinc/22/32/00/132223200.db2.gz MVIUNBFINTYSHN-UHFFFAOYSA-N 0 0 221.216 1.507 10 5 BDBERN C[C@H]1C[C@H]1Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000052292083 134700341 /nfs/dbraw/zinc/70/03/41/134700341.db2.gz JLAKSHIDFUDROJ-IMTBSYHQSA-N 0 0 235.243 1.514 10 5 BDBERN C[C@@H](CO)CNc1cc(F)ccc1[N+](=O)[O-] ZINC000083220521 135445706 /nfs/dbraw/zinc/44/57/06/135445706.db2.gz CFBNRIQIHSNONG-SSDOTTSWSA-N 0 0 228.223 1.774 10 5 BDBERN COc1cc(OC(F)F)c(CO)cc1[N+](=O)[O-] ZINC000575664566 398062292 /nfs/dbraw/zinc/06/22/92/398062292.db2.gz IMBIRVJEAZWDEA-UHFFFAOYSA-N 0 0 249.169 1.697 10 5 BDBERN CCOC(=O)c1cc([N+](=O)[O-])c(OC)cc1N ZINC000575725661 398068646 /nfs/dbraw/zinc/06/86/46/398068646.db2.gz TYFNUBBFPQFRHZ-UHFFFAOYSA-N 0 0 240.215 1.362 10 5 BDBERN Cc1cc([N+](=O)[O-])cn2c(CF)nnc12 ZINC000584646660 398086207 /nfs/dbraw/zinc/08/62/07/398086207.db2.gz URPPQTCNEWIBNS-UHFFFAOYSA-N 0 0 210.168 1.415 10 5 BDBERN CC(C)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000060249680 167378708 /nfs/dbraw/zinc/37/87/08/167378708.db2.gz PFEDKZYXXYPCMZ-SSDOTTSWSA-N 0 0 226.232 1.962 10 5 BDBERN CC1=CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000037383316 168092910 /nfs/dbraw/zinc/09/29/10/168092910.db2.gz RFQMOWVSQLMKIP-UHFFFAOYSA-N 0 0 232.195 1.414 10 5 BDBERN CCNc1ncnc(Cl)c1[N+](=O)[O-] ZINC000004243315 170178313 /nfs/dbraw/zinc/17/83/13/170178313.db2.gz CVAWZTXOPAHHAZ-UHFFFAOYSA-N 0 0 202.601 1.470 10 5 BDBERN CCOC(=O)CCOc1ccc([N+](=O)[O-])cc1 ZINC000036669132 170211006 /nfs/dbraw/zinc/21/10/06/170211006.db2.gz NMPOHQBBHPDBRC-UHFFFAOYSA-N 0 0 239.227 1.927 10 5 BDBERN CCn1cnc2c1ccc(N)c2[N+](=O)[O-] ZINC000005328243 172231826 /nfs/dbraw/zinc/23/18/26/172231826.db2.gz QPJQLOMTEORGOS-UHFFFAOYSA-N 0 0 206.205 1.547 10 5 BDBERN CCn1cnnc1-c1ccc([N+](=O)[O-])cc1N ZINC000062823727 172232930 /nfs/dbraw/zinc/23/29/30/172232930.db2.gz ZZFHCQCVBHWQMK-UHFFFAOYSA-N 0 0 233.231 1.455 10 5 BDBERN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1C[C@@H]1C ZINC000085022352 172248443 /nfs/dbraw/zinc/24/84/43/172248443.db2.gz KWEMXTICEYSZMG-POYBYMJQSA-N 0 0 224.264 1.940 10 5 BDBERN CCn1nc(N)c2cc([N+](=O)[O-])c(OC)cc21 ZINC000098178426 172249726 /nfs/dbraw/zinc/24/97/26/172249726.db2.gz QVTGEBBDZXUDPU-UHFFFAOYSA-N 0 0 236.231 1.555 10 5 BDBERN CN(C(N)=S)c1ccc([N+](=O)[O-])cc1 ZINC000039124769 172349827 /nfs/dbraw/zinc/34/98/27/172349827.db2.gz YQVKBBZBJMYNOT-UHFFFAOYSA-N 0 0 211.246 1.275 10 5 BDBERN CNC(=O)CNc1ccc([N+](=O)[O-])cc1C ZINC000037207521 173278944 /nfs/dbraw/zinc/27/89/44/173278944.db2.gz ZKSGAJRFTCKQJX-UHFFFAOYSA-N 0 0 223.232 1.061 10 5 BDBERN CNC(=O)[C@@H](C)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000042571605 173295496 /nfs/dbraw/zinc/29/54/96/173295496.db2.gz OQOSFPOEHCVAHG-ZCFIWIBFSA-N 0 0 241.222 1.280 10 5 BDBERN COc1ccc(C(N)=S)c([N+](=O)[O-])c1 ZINC000083346899 175069719 /nfs/dbraw/zinc/06/97/19/175069719.db2.gz UGHZGNVSDMKXHG-UHFFFAOYSA-N 0 0 212.230 1.238 10 5 BDBERN C[C@@H](O)[C@H](C)Oc1c(F)cccc1[N+](=O)[O-] ZINC000163033589 177021498 /nfs/dbraw/zinc/02/14/98/177021498.db2.gz MACPOIDDMUSFOS-RQJHMYQMSA-N 0 0 229.207 1.882 10 5 BDBERN C[C@H](c1ccccc1[N+](=O)[O-])n1nccc1N ZINC000020526331 177043047 /nfs/dbraw/zinc/04/30/47/177043047.db2.gz PWNDGWRIMQQVOF-MRVPVSSYSA-N 0 0 232.243 1.983 10 5 BDBERN C[C@H]1CN(c2ncc([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000190299494 177278040 /nfs/dbraw/zinc/27/80/40/177278040.db2.gz HVOCQQXLTHAKAT-BQBZGAKWSA-N 0 0 243.288 1.665 10 5 BDBERN CCn1c(C)cc(Cl)c([N+](=O)[O-])c1=O ZINC000095098128 523139669 /nfs/dbraw/zinc/13/96/69/523139669.db2.gz VFYGWTNMZBZWBC-UHFFFAOYSA-N 0 0 216.624 1.738 10 5 BDBERN C[C@@H](O)[C@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000309049917 631824772 /nfs/dbraw/zinc/82/47/72/631824772.db2.gz QLQRMQSVJUCCPJ-NKWVEPMBSA-N 0 0 211.221 1.171 10 5 BDBERN C[C@H](O)[C@H](C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000309914908 632679556 /nfs/dbraw/zinc/67/95/56/632679556.db2.gz ORSMPQAZTDHZBI-BQBZGAKWSA-N 0 0 228.223 1.915 10 5 BDBERN Cc1cc(SC[C@@H](O)CO)ccc1[N+](=O)[O-] ZINC000086659895 178218401 /nfs/dbraw/zinc/21/84/01/178218401.db2.gz GVIBYABMLRTUSI-QMMMGPOBSA-N 0 0 243.284 1.349 10 5 BDBERN Cc1ccc(-c2ccnc(N)n2)cc1[N+](=O)[O-] ZINC000052811991 178327650 /nfs/dbraw/zinc/32/76/50/178327650.db2.gz CZJDDEAUPUUVRH-UHFFFAOYSA-N 0 0 230.227 1.942 10 5 BDBERN O=[N+]([O-])c1ccccc1O[C@H]1CCC[C@H]1O ZINC000037695766 538963788 /nfs/dbraw/zinc/96/37/88/538963788.db2.gz RTFUMNDLAYTVGQ-KOLCDFICSA-N 0 0 223.228 1.887 10 5 BDBERN O=[N+]([O-])c1cccc(O[C@H]2CCC[C@@H]2O)c1 ZINC000037696185 538963816 /nfs/dbraw/zinc/96/38/16/538963816.db2.gz DILHHWUESATYNX-QWRGUYRKSA-N 0 0 223.228 1.887 10 5 BDBERN Nc1cccc2nc3c(N)cccc3nc12 ZINC000005161744 342759168 /nfs/dbraw/zinc/75/91/68/342759168.db2.gz FKTKBFVVAFESPW-UHFFFAOYSA-N 0 0 210.240 1.947 10 5 BDBERN CC[C@@H](c1cccc([N+](=O)[O-])c1)S(N)(=O)=O ZINC000050350645 539010858 /nfs/dbraw/zinc/01/08/58/539010858.db2.gz POMKMJBYEWHVSC-VIFPVBQESA-N 0 0 244.272 1.334 10 5 BDBERN O=[N+]([O-])c1ccnc(OC(F)(F)F)c1CO ZINC000309236692 342920418 /nfs/dbraw/zinc/92/04/18/342920418.db2.gz CDANCBZOSOHQFR-UHFFFAOYSA-N 0 0 238.121 1.381 10 5 BDBERN Nc1c([N+](=O)[O-])cc(F)cc1[N+](=O)[O-] ZINC000005701092 346924107 /nfs/dbraw/zinc/92/41/07/346924107.db2.gz NCULVGHRNORGOV-UHFFFAOYSA-N 0 0 201.113 1.224 10 5 BDBERN C=CC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000043474299 343087299 /nfs/dbraw/zinc/08/72/99/343087299.db2.gz WQUXXVXOUTZJFV-UHFFFAOYSA-N 0 0 210.164 1.858 10 5 BDBERN CCOC(=O)[C@]1([N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000114061676 343120189 /nfs/dbraw/zinc/12/01/89/343120189.db2.gz MZFTYSDMOSREIT-JQWIXIFHSA-N 0 0 235.239 1.753 10 5 BDBERN O=C1CCCCN1c1ccc([N+](=O)[O-])cn1 ZINC000165422713 343311556 /nfs/dbraw/zinc/31/15/56/343311556.db2.gz UHWKBRQDSHYYOC-UHFFFAOYSA-N 0 0 221.216 1.507 10 5 BDBERN C[C@]1(CO)COC(c2ccc([N+](=O)[O-])cc2)=N1 ZINC000201564194 343387111 /nfs/dbraw/zinc/38/71/11/343387111.db2.gz OCJFTIVJGGGRHA-NSHDSACASA-N 0 0 236.227 1.123 10 5 BDBERN COC(=O)Cc1cc(C)ccc1[N+](=O)[O-] ZINC000081131259 343416609 /nfs/dbraw/zinc/41/66/09/343416609.db2.gz DSJTWGJIJYPSJW-UHFFFAOYSA-N 0 0 209.201 1.619 10 5 BDBERN COC(=O)c1cc([N+](=O)[O-])cc(F)c1N ZINC000168744513 343620398 /nfs/dbraw/zinc/62/03/98/343620398.db2.gz PTOTYGXZPPHCLL-UHFFFAOYSA-N 0 0 214.152 1.103 10 5 BDBERN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N ZINC000096306759 343661724 /nfs/dbraw/zinc/66/17/24/343661724.db2.gz OMSRFLNHIOURPF-UHFFFAOYSA-N 0 0 210.189 1.272 10 5 BDBERN O=[N+]([O-])c1ccccc1[C@H]1NCCS1 ZINC000050522772 259370019 /nfs/dbraw/zinc/37/00/19/259370019.db2.gz AWFBYJJTXNGJMS-VIFPVBQESA-N 0 0 210.258 1.930 10 5 BDBERN C[C@@]1(F)CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000408220623 344255399 /nfs/dbraw/zinc/25/53/99/344255399.db2.gz YCTSOCPEYCVZBU-SECBINFHSA-N 0 0 226.211 1.323 10 5 BDBERN CC1(C)C(=O)Nc2ccc([N+](=O)[O-])c(F)c21 ZINC000220136469 344318354 /nfs/dbraw/zinc/31/83/54/344318354.db2.gz CPBFRDGOEIMZFA-UHFFFAOYSA-N 0 0 224.191 1.964 10 5 BDBERN Cc1cc(NCc2ncnn2C)ncc1[N+](=O)[O-] ZINC000074768827 344756078 /nfs/dbraw/zinc/75/60/78/344756078.db2.gz LBXMWPMLWWMIBO-UHFFFAOYSA-N 0 0 248.246 1.039 10 5 BDBERN O=[N+]([O-])c1cc(CN2CCOCC2)ccc1F ZINC000166516465 344918354 /nfs/dbraw/zinc/91/83/54/344918354.db2.gz VVFZVWUIJXLEGB-UHFFFAOYSA-N 0 0 240.234 1.566 10 5 BDBERN Cc1cccc2cc([N+](=O)[O-])c[n+]([O-])c12 ZINC000137152111 345836205 /nfs/dbraw/zinc/83/62/05/345836205.db2.gz NCMAVLBEOXBSIO-UHFFFAOYSA-N 0 0 204.185 1.690 10 5 BDBERN Cc1c(Br)c(NN)ncc1[N+](=O)[O-] ZINC000167044270 346185769 /nfs/dbraw/zinc/18/57/69/346185769.db2.gz KNGMQTQBXTYVGL-UHFFFAOYSA-N 0 0 247.052 1.346 10 5 BDBERN CNS(=O)(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000669375550 537955468 /nfs/dbraw/zinc/95/54/68/537955468.db2.gz NCDWZZLYJCBQPX-SSDOTTSWSA-N 0 0 244.272 1.205 10 5 BDBERN Nc1n[nH]c(-c2ccc([N+](=O)[O-])s2)n1 ZINC000236382986 346233137 /nfs/dbraw/zinc/23/31/37/346233137.db2.gz RRKUDOWSAIMRIT-UHFFFAOYSA-N 0 0 211.206 1.024 10 5 BDBERN O=c1cc[nH]n1-c1ccccc1[N+](=O)[O-] ZINC000167262891 346224098 /nfs/dbraw/zinc/22/40/98/346224098.db2.gz QGAQIVMKYNXQHI-UHFFFAOYSA-N 0 0 205.173 1.486 10 5 BDBERN CC(=O)Nc1c(OC(C)=O)cccc1[N+](=O)[O-] ZINC000039235864 346289484 /nfs/dbraw/zinc/28/94/84/346289484.db2.gz LEAHQNMVEGMQAX-UHFFFAOYSA-N 0 0 238.199 1.479 10 5 BDBERN COC(=O)c1cc2ccc([N+](=O)[O-])cc2[nH]c1=O ZINC000038999028 347172814 /nfs/dbraw/zinc/17/28/14/347172814.db2.gz IEFFXIBUOWNQCO-UHFFFAOYSA-N 0 0 248.194 1.223 10 5 BDBERN CC(=O)C(C(C)=O)[C@@H](CC(C)C)C[N+](=O)[O-] ZINC000149652472 347408296 /nfs/dbraw/zinc/40/82/96/347408296.db2.gz MFWLZGMKCOAMBH-JTQLQIEISA-N 0 0 229.276 1.720 10 5 BDBERN O=c1ccc([N+](=O)[O-])c(NC2CCOCC2)[nH]1 ZINC000118269742 347362300 /nfs/dbraw/zinc/36/23/00/347362300.db2.gz MNVBEMDYYAXGNO-UHFFFAOYSA-N 0 0 239.231 1.286 10 5 BDBERN COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cn1 ZINC000145335214 347388446 /nfs/dbraw/zinc/38/84/46/347388446.db2.gz NDOYITLTEYFJJE-UHFFFAOYSA-N 0 0 224.216 1.440 10 5 BDBERN O=Cc1cn(Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000196229242 347838797 /nfs/dbraw/zinc/83/87/97/347838797.db2.gz ZHTVUTGRCYUSFF-UHFFFAOYSA-N 0 0 231.211 1.652 10 5 BDBERN Cc1cnc(NC2CC(CO)C2)c([N+](=O)[O-])c1 ZINC000596565457 348580356 /nfs/dbraw/zinc/58/03/56/348580356.db2.gz BIINNUSSETVRTH-UHFFFAOYSA-N 0 0 237.259 1.481 10 5 BDBERN Cc1nc(-c2nsc(N)n2)ccc1[N+](=O)[O-] ZINC000067173726 179871552 /nfs/dbraw/zinc/87/15/52/179871552.db2.gz FRPMVWUPSDQFRY-UHFFFAOYSA-N 0 0 237.244 1.399 10 5 BDBERN Cc1nn([C@@H](C)C2CC2)c(N)c1[N+](=O)[O-] ZINC000043670552 180392232 /nfs/dbraw/zinc/39/22/32/180392232.db2.gz SCFXSKFWUCIZNE-LURJTMIESA-N 0 0 210.237 1.653 10 5 BDBERN Cc1nn([C@H](C)c2ccco2)c(N)c1[N+](=O)[O-] ZINC000049853211 180393325 /nfs/dbraw/zinc/39/33/25/180393325.db2.gz UWMWEIMHEUBZNK-SSDOTTSWSA-N 0 0 236.231 1.884 10 5 BDBERN Cc1nn([C@H](C)C2CC2)c(N)c1[N+](=O)[O-] ZINC000043670556 180393406 /nfs/dbraw/zinc/39/34/06/180393406.db2.gz SCFXSKFWUCIZNE-ZCFIWIBFSA-N 0 0 210.237 1.653 10 5 BDBERN COCCN1Cc2ccc([N+](=O)[O-])cc2C1=O ZINC000725266703 538096534 /nfs/dbraw/zinc/09/65/34/538096534.db2.gz PWOBJVFMQSLVGZ-UHFFFAOYSA-N 0 0 236.227 1.197 10 5 BDBERN COc1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000306774464 351015795 /nfs/dbraw/zinc/01/57/95/351015795.db2.gz KBMLHULRCXNWHR-UHFFFAOYSA-N 0 0 201.153 1.751 10 5 BDBERN Cc1ccc([N+](=O)[O-])c(C(N)=O)c1Cl ZINC000307074766 351465880 /nfs/dbraw/zinc/46/58/80/351465880.db2.gz KBNKJIIFROWENR-UHFFFAOYSA-N 0 0 214.608 1.656 10 5 BDBERN Nc1noc(-c2cc([N+](=O)[O-])cs2)n1 ZINC000307252642 351770965 /nfs/dbraw/zinc/77/09/65/351770965.db2.gz SQZNOEZEEMYFLQ-UHFFFAOYSA-N 0 0 212.190 1.289 10 5 BDBERN CC(C)(Nc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000040675327 188474461 /nfs/dbraw/zinc/47/44/61/188474461.db2.gz FVBXWGZPXBKGDL-UHFFFAOYSA-N 0 0 223.232 1.271 10 5 BDBERN CC(=O)C(C(C)=O)[C@@H](C[N+](=O)[O-])c1ccccc1 ZINC000100169336 357929826 /nfs/dbraw/zinc/92/98/26/357929826.db2.gz OPKHMCBLQAHSEN-LBPRGKRZSA-N 0 0 249.266 1.841 10 5 BDBERN O=[N+]([O-])c1cnc(-n2nccn2)c(Cl)c1 ZINC000584649063 358304316 /nfs/dbraw/zinc/30/43/16/358304316.db2.gz UOVBIABPHJGCHB-UHFFFAOYSA-N 0 0 225.595 1.224 10 5 BDBERN CCCn1c(=O)[nH]c2cccc([N+](=O)[O-])c2c1=O ZINC000584633374 358317132 /nfs/dbraw/zinc/31/71/32/358317132.db2.gz HLMUSRSEEJYHOL-UHFFFAOYSA-N 0 0 249.226 1.420 10 5 BDBERN Nc1ccnc([N+](=O)[O-])c1C(F)(F)F ZINC000306258823 359474930 /nfs/dbraw/zinc/47/49/30/359474930.db2.gz BPVCXQIHANJACA-UHFFFAOYSA-N 0 0 207.111 1.591 10 5 BDBERN Nc1cc(Br)nc([N+](=O)[O-])c1 ZINC000306411744 359820765 /nfs/dbraw/zinc/82/07/65/359820765.db2.gz OPYGIDZZGYZNRR-UHFFFAOYSA-N 0 0 218.010 1.335 10 5 BDBERN CC(=O)n1ccc2cc([N+](=O)[O-])c(N)cc21 ZINC000016678011 360431735 /nfs/dbraw/zinc/43/17/35/360431735.db2.gz JJZPXESRQLQVOJ-UHFFFAOYSA-N 0 0 219.200 1.792 10 5 BDBERN NC(=S)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000006953880 181319680 /nfs/dbraw/zinc/31/96/80/181319680.db2.gz NDNXCZUSGIGJKU-UHFFFAOYSA-N 0 0 237.244 1.127 10 5 BDBERN NC(=S)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000083348777 181320266 /nfs/dbraw/zinc/32/02/66/181320266.db2.gz BGMQNNFUDRYVKV-UHFFFAOYSA-N 0 0 216.649 1.882 10 5 BDBERN O=[N+]([O-])c1cc(C(F)(F)F)cnc1CO ZINC000238656225 361171646 /nfs/dbraw/zinc/17/16/46/361171646.db2.gz SEYRMSDWLFIDSL-UHFFFAOYSA-N 0 0 222.122 1.501 10 5 BDBERN Nc1cc([N+](=O)[O-])ncc1OC(F)(F)F ZINC000238695709 361180038 /nfs/dbraw/zinc/18/00/38/361180038.db2.gz ZNUYMQQGBBXZAM-UHFFFAOYSA-N 0 0 223.110 1.471 10 5 BDBERN C[C@@H](CO)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000037666577 364460131 /nfs/dbraw/zinc/46/01/31/364460131.db2.gz MIFNCKUUIPZRSR-LURJTMIESA-N 0 0 214.196 1.527 10 5 BDBERN Cc1nc(O[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000221974551 368363076 /nfs/dbraw/zinc/36/30/76/368363076.db2.gz RKROAQQPEVCKMW-MRVPVSSYSA-N 0 0 224.216 1.466 10 5 BDBERN Nc1cc([N+](=O)[O-])ccc1-n1ccnc1 ZINC000052841561 181691708 /nfs/dbraw/zinc/69/17/08/181691708.db2.gz SGFMXRFKDUYICA-UHFFFAOYSA-N 0 0 204.189 1.363 10 5 BDBERN COc1ccc([N+](=O)[O-])c2c1C(=O)CC2 ZINC000164568189 372164080 /nfs/dbraw/zinc/16/40/80/372164080.db2.gz XYCKYRZQZYDNGK-UHFFFAOYSA-N 0 0 207.185 1.732 10 5 BDBERN O=C(COc1cccnc1[N+](=O)[O-])c1ccco1 ZINC000048403058 182004336 /nfs/dbraw/zinc/00/43/36/182004336.db2.gz LSKSEEYAFSEKLP-UHFFFAOYSA-N 0 0 248.194 1.845 10 5 BDBERN O=Cc1ncc([N+](=O)[O-])cc1Br ZINC000299890315 182876356 /nfs/dbraw/zinc/87/63/56/182876356.db2.gz XNYZQHXHLZNXAW-UHFFFAOYSA-N 0 0 231.005 1.565 10 5 BDBERN O=[N+]([O-])c1cc(OC2CC2)c([N+](=O)[O-])cn1 ZINC000095735861 182924851 /nfs/dbraw/zinc/92/48/51/182924851.db2.gz JQSTVINRKPVECM-UHFFFAOYSA-N 0 0 225.160 1.439 10 5 BDBERN O=[N+]([O-])c1cccc(NCc2cn[nH]c2)c1 ZINC000038006503 182946702 /nfs/dbraw/zinc/94/67/02/182946702.db2.gz JRPOIPSBIRHSNS-UHFFFAOYSA-N 0 0 218.216 1.930 10 5 BDBERN O=[N+]([O-])c1cccc(NCc2cncnc2)c1 ZINC000054767577 182947164 /nfs/dbraw/zinc/94/71/64/182947164.db2.gz OGOZBBKBNRNMJL-UHFFFAOYSA-N 0 0 230.227 1.997 10 5 BDBERN O=[N+]([O-])c1ccccc1CNCc1ccncn1 ZINC000054789888 182950059 /nfs/dbraw/zinc/95/00/59/182950059.db2.gz ATQOMPUKJZZQEI-UHFFFAOYSA-N 0 0 244.254 1.675 10 5 BDBERN O=[N+]([O-])c1ccc2c(c1)OC[C@]1(CO1)CS2 ZINC000238852837 182941634 /nfs/dbraw/zinc/94/16/34/182941634.db2.gz HHWSTWVTDOMVGS-JTQLQIEISA-N 0 0 239.252 1.848 10 5 BDBERN CC(=O)Nc1nc(C)c([N+](=O)[O-])c(Cl)n1 ZINC000074942406 384314585 /nfs/dbraw/zinc/31/45/85/384314585.db2.gz WBSTVUMPXZWEGS-UHFFFAOYSA-N 0 0 230.611 1.305 10 5 BDBERN C[C@@H]1C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000171060029 384549424 /nfs/dbraw/zinc/54/94/24/384549424.db2.gz OAPMFQLEOFXMDZ-XCBNKYQSSA-N 0 0 220.228 1.733 10 5 BDBERN COc1cc([N+](=O)[O-])c(F)cc1C(C)=O ZINC000575708732 384817812 /nfs/dbraw/zinc/81/78/12/384817812.db2.gz OVEHJIQAIBPQLS-UHFFFAOYSA-N 0 0 213.164 1.945 10 5 BDBERN Nc1n[nH]c(CO)c1-c1ccc([N+](=O)[O-])cc1 ZINC000536955987 384804180 /nfs/dbraw/zinc/80/41/80/384804180.db2.gz WBODGPKXHBWCMB-UHFFFAOYSA-N 0 0 234.215 1.059 10 5 BDBERN CCOC(=O)c1c(N)cc([N+](=O)[O-])cc1OC ZINC000575724375 384908515 /nfs/dbraw/zinc/90/85/15/384908515.db2.gz DFKJXVIFDRCSIS-UHFFFAOYSA-N 0 0 240.215 1.362 10 5 BDBERN CCOC(=O)Cc1ccc(F)c(N)c1[N+](=O)[O-] ZINC000575724439 384909726 /nfs/dbraw/zinc/90/97/26/384909726.db2.gz HGVRNQZYWBRPLD-UHFFFAOYSA-N 0 0 242.206 1.422 10 5 BDBERN O=Cc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC000072190452 385040116 /nfs/dbraw/zinc/04/01/16/385040116.db2.gz QMJGAVAAQIPYGB-UHFFFAOYSA-N 0 0 217.184 1.593 10 5 BDBERN COC(=O)c1c(F)ccc(OC)c1[N+](=O)[O-] ZINC000261100994 386004198 /nfs/dbraw/zinc/00/41/98/386004198.db2.gz BWMUDKIBTQFNHN-UHFFFAOYSA-N 0 0 229.163 1.529 10 5 BDBERN C[C@H]1CC[C@H](O)CN1c1ccc([N+](=O)[O-])nc1 ZINC000399316501 386709175 /nfs/dbraw/zinc/70/91/75/386709175.db2.gz FZHXEMKZHJDOHG-WPRPVWTQSA-N 0 0 237.259 1.339 10 5 BDBERN COC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N ZINC000575436361 387100995 /nfs/dbraw/zinc/10/09/95/387100995.db2.gz ZNFJXIHKBWULDP-UHFFFAOYSA-N 0 0 231.595 1.012 10 5 BDBERN COc1cnc2cccc([N+](=O)[O-])c2n1 ZINC000575442395 387133333 /nfs/dbraw/zinc/13/33/33/387133333.db2.gz PBOGKFAKRGXTBS-UHFFFAOYSA-N 0 0 205.173 1.547 10 5 BDBERN O=[N+]([O-])c1cc(CO)c(O)c(OC(F)F)c1 ZINC000575663023 387270476 /nfs/dbraw/zinc/27/04/76/387270476.db2.gz PCSKUNNEBGUXRL-UHFFFAOYSA-N 0 0 235.142 1.394 10 5 BDBERN O=Cc1cc(C(F)F)c(CO)c([N+](=O)[O-])c1 ZINC000575668755 387307811 /nfs/dbraw/zinc/30/78/11/387307811.db2.gz NFCOZYYBVZPLKC-UHFFFAOYSA-N 0 0 231.154 1.837 10 5 BDBERN Cc1c(OC(F)F)cc(CO)cc1[N+](=O)[O-] ZINC000575668981 387325797 /nfs/dbraw/zinc/32/57/97/387325797.db2.gz WIVYEEASBLXCRD-UHFFFAOYSA-N 0 0 233.170 1.997 10 5 BDBERN COc1cc([N+](=O)[O-])cc(C)c1C(N)=O ZINC000575673061 387343413 /nfs/dbraw/zinc/34/34/13/387343413.db2.gz BCFQBIMDSVWDTG-UHFFFAOYSA-N 0 0 210.189 1.011 10 5 BDBERN COC(=O)Cc1cc(OC)c([N+](=O)[O-])cc1F ZINC000575715002 387429400 /nfs/dbraw/zinc/42/94/00/387429400.db2.gz PVYLJQODTONLLG-UHFFFAOYSA-N 0 0 243.190 1.458 10 5 BDBERN COC(=O)Cc1cc([N+](=O)[O-])cc(OC)c1F ZINC000575715327 387430191 /nfs/dbraw/zinc/43/01/91/387430191.db2.gz WNNQZPLIHVWNLT-UHFFFAOYSA-N 0 0 243.190 1.458 10 5 BDBERN COc1ccc(Br)c([N+](=O)[O-])c1N ZINC000575720107 387441465 /nfs/dbraw/zinc/44/14/65/387441465.db2.gz GTUORHQXHXOXEM-UHFFFAOYSA-N 0 0 247.048 1.948 10 5 BDBERN COc1ccc(OC(F)F)c([N+](=O)[O-])c1N ZINC000575721346 387442533 /nfs/dbraw/zinc/44/25/33/387442533.db2.gz LKDVUQHYHLNPMJ-UHFFFAOYSA-N 0 0 234.158 1.787 10 5 BDBERN Nc1cc(OC(F)F)c([N+](=O)[O-])cc1O ZINC000575722723 387446117 /nfs/dbraw/zinc/44/61/17/387446117.db2.gz FDAOMNVOJXGPEZ-UHFFFAOYSA-N 0 0 220.131 1.484 10 5 BDBERN Nc1cc(O)c(OC(F)F)c([N+](=O)[O-])c1 ZINC000575723004 387446763 /nfs/dbraw/zinc/44/67/63/387446763.db2.gz JMSQJTHKVMJQPE-UHFFFAOYSA-N 0 0 220.131 1.484 10 5 BDBERN CCOC(=O)c1cc(OC)cc(N)c1[N+](=O)[O-] ZINC000575724320 387449316 /nfs/dbraw/zinc/44/93/16/387449316.db2.gz ALSJKZWKRSYLEE-UHFFFAOYSA-N 0 0 240.215 1.362 10 5 BDBERN CCOc1cc(C)c(C(N)=O)c([N+](=O)[O-])c1 ZINC000575698751 387390765 /nfs/dbraw/zinc/39/07/65/387390765.db2.gz IEZSXDJKTSOTQQ-UHFFFAOYSA-N 0 0 224.216 1.401 10 5 BDBERN CCOc1cc([N+](=O)[O-])c(OC)cc1CO ZINC000575698141 387392945 /nfs/dbraw/zinc/39/29/45/387392945.db2.gz DNTVRFGVRWJGTQ-UHFFFAOYSA-N 0 0 227.216 1.494 10 5 BDBERN CCOc1cc([N+](=O)[O-])c(CC)cc1C(N)=O ZINC000575694594 387393823 /nfs/dbraw/zinc/39/38/23/387393823.db2.gz GKTQDJCZVHSGFE-UHFFFAOYSA-N 0 0 238.243 1.655 10 5 BDBERN CCOc1cc(CC)cc(C(N)=O)c1[N+](=O)[O-] ZINC000575695195 387394371 /nfs/dbraw/zinc/39/43/71/387394371.db2.gz HEBZCSMSVYNYDC-UHFFFAOYSA-N 0 0 238.243 1.655 10 5 BDBERN COC(=O)Cc1cc(O)cc([N+](=O)[O-])c1F ZINC000575714347 387409643 /nfs/dbraw/zinc/40/96/43/387409643.db2.gz SUJQKNZEKTZNAG-UHFFFAOYSA-N 0 0 229.163 1.155 10 5 BDBERN COc1cc(CO)cc([N+](=O)[O-])c1F ZINC000575708736 387413465 /nfs/dbraw/zinc/41/34/65/387413465.db2.gz OZTVZYKERAFVLE-UHFFFAOYSA-N 0 0 201.153 1.235 10 5 BDBERN Nc1c(O)c(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000575728320 387465440 /nfs/dbraw/zinc/46/54/40/387465440.db2.gz MZMWKFUKTQCGFC-UHFFFAOYSA-N 0 0 222.122 1.901 10 5 BDBERN COC(=O)Cc1c(N)ccc(Cl)c1[N+](=O)[O-] ZINC000575729701 387469559 /nfs/dbraw/zinc/46/95/59/387469559.db2.gz LNBBVSGEKNKMKK-UHFFFAOYSA-N 0 0 244.634 1.546 10 5 BDBERN COc1cc(N)c([N+](=O)[O-])cc1C(C)=O ZINC000299889209 388344779 /nfs/dbraw/zinc/34/47/79/388344779.db2.gz GARJWSZZMROGQN-UHFFFAOYSA-N 0 0 210.189 1.388 10 5 BDBERN Cc1cc(-c2nsc(N)n2)ncc1[N+](=O)[O-] ZINC000067173723 177696925 /nfs/dbraw/zinc/69/69/25/177696925.db2.gz BVZLSGXLDJRFBO-UHFFFAOYSA-N 0 0 237.244 1.399 10 5 BDBERN C[C@@H](Oc1ccc([N+](=O)[O-])cc1F)[C@H](C)O ZINC000087139032 134424762 /nfs/dbraw/zinc/42/47/62/134424762.db2.gz GQXXCEHBKCPNAJ-NKWVEPMBSA-N 0 0 229.207 1.882 10 5 BDBERN Cc1cc(OC(F)F)cc(CO)c1[N+](=O)[O-] ZINC000575667915 398061880 /nfs/dbraw/zinc/06/18/80/398061880.db2.gz PGWIZDQPYOOJRE-UHFFFAOYSA-N 0 0 233.170 1.997 10 5 BDBERN CCNC(=O)CNc1ccc(C)c([N+](=O)[O-])c1 ZINC000058486622 170066657 /nfs/dbraw/zinc/06/66/57/170066657.db2.gz OOSGLCFLLOEPHU-UHFFFAOYSA-N 0 0 237.259 1.451 10 5 BDBERN CCNc1ncnc(-n2ccnc2)c1[N+](=O)[O-] ZINC000040596653 170177878 /nfs/dbraw/zinc/17/78/78/170177878.db2.gz FJUXTNKRGIIRKA-UHFFFAOYSA-N 0 0 234.219 1.002 10 5 BDBERN CCOC(=O)C[C@H](CC(C)C)C[N+](=O)[O-] ZINC000022063454 170233191 /nfs/dbraw/zinc/23/31/91/170233191.db2.gz LOHHVAYLSGONPS-VIFPVBQESA-N 0 0 217.265 1.879 10 5 in-vitro BDBERN CCOC(=O)c1noc2c1cccc2[N+](=O)[O-] ZINC000299889820 170309474 /nfs/dbraw/zinc/30/94/74/170309474.db2.gz PEQSUNUHUYEUGQ-UHFFFAOYSA-N 0 0 236.183 1.913 10 5 BDBERN CCn1c(=O)c2cc([N+](=O)[O-])ccc2n1C ZINC000039102307 172132562 /nfs/dbraw/zinc/13/25/62/172132562.db2.gz YFUCOSNHVPYEAS-UHFFFAOYSA-N 0 0 221.216 1.268 10 5 BDBERN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1C[C@@H]1C ZINC000085022353 172248237 /nfs/dbraw/zinc/24/82/37/172248237.db2.gz KWEMXTICEYSZMG-XPUUQOCRSA-N 0 0 224.264 1.940 10 5 BDBERN CNC(=O)c1ccc(N[C@@H]2C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000112466069 173311220 /nfs/dbraw/zinc/31/12/20/173311220.db2.gz GTNXWIHCBYOSES-OIBJUYFYSA-N 0 0 249.270 1.775 10 5 BDBERN CNc1cc(C(=O)NCC2CC2)ccc1[N+](=O)[O-] ZINC000054414424 173472535 /nfs/dbraw/zinc/47/25/35/173472535.db2.gz WHIRTLCCUACFCQ-UHFFFAOYSA-N 0 0 249.270 1.776 10 5 BDBERN COC(=O)CNc1ccc(C)c([N+](=O)[O-])c1 ZINC000059693578 173609665 /nfs/dbraw/zinc/60/96/65/173609665.db2.gz UZSVQVDFASYRFV-UHFFFAOYSA-N 0 0 224.216 1.488 10 5 BDBERN COC(=O)c1c(OC)ccc(OC)c1[N+](=O)[O-] ZINC000034507309 173845239 /nfs/dbraw/zinc/84/52/39/173845239.db2.gz XWNBFVVXJDIJBM-UHFFFAOYSA-N 0 0 241.199 1.399 10 5 BDBERN COC(=O)c1cccc2[nH]nc([N+](=O)[O-])c21 ZINC000089195830 173896592 /nfs/dbraw/zinc/89/65/92/173896592.db2.gz JKRMVHUBAXOUMD-UHFFFAOYSA-N 0 0 221.172 1.258 10 5 BDBERN COCCCNc1ncnc(Cl)c1[N+](=O)[O-] ZINC000004243335 174252588 /nfs/dbraw/zinc/25/25/88/174252588.db2.gz LIZADODYIQSETG-UHFFFAOYSA-N 0 0 246.654 1.487 10 5 BDBERN COc1cc([N+](=O)[O-])cnc1Br ZINC000095931466 175018844 /nfs/dbraw/zinc/01/88/44/175018844.db2.gz BWJNSRABTDYPPK-UHFFFAOYSA-N 0 0 233.021 1.761 10 5 BDBERN C[C@H]1CC(=O)N[C@@H](c2ccccc2)[C@@H]1[N+](=O)[O-] ZINC000096032505 177062975 /nfs/dbraw/zinc/06/29/75/177062975.db2.gz JOMJJSQKSCKHRY-KPXOXKRLSA-N 0 0 234.255 1.529 10 5 BDBERN C[C@H]1CC(=O)N[C@H](c2ccccc2)[C@@H]1[N+](=O)[O-] ZINC000096032503 177063026 /nfs/dbraw/zinc/06/30/26/177063026.db2.gz JOMJJSQKSCKHRY-XXILOJSOSA-N 0 0 234.255 1.529 10 5 BDBERN C[C@H]1C[C@@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000052303691 177349294 /nfs/dbraw/zinc/34/92/94/177349294.db2.gz SGHBJFCDSXPGMS-RCOVLWMOSA-N 0 0 235.243 1.315 10 5 BDBERN Cc1ccnc(N[C@@H]2C[C@H]2CO)c1[N+](=O)[O-] ZINC000309724273 326165824 /nfs/dbraw/zinc/16/58/24/326165824.db2.gz XGECPXAJUYEMCO-JGVFFNPUSA-N 0 0 223.232 1.091 10 5 BDBERN C[C@H](O)[C@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000309041889 631825843 /nfs/dbraw/zinc/82/58/43/631825843.db2.gz LRQVTYUQZGMLGC-BQBZGAKWSA-N 0 0 211.221 1.171 10 5 BDBERN C[C@@H](O)[C@H](C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000309896808 633912446 /nfs/dbraw/zinc/91/24/46/633912446.db2.gz GCKMWFBAMZGJPQ-NTSWFWBYSA-N 0 0 245.666 1.824 10 5 BDBERN C[C@@H](O)[C@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000309957841 633980499 /nfs/dbraw/zinc/98/04/99/633980499.db2.gz JLMZRZHVTTVESB-NKWVEPMBSA-N 0 0 228.223 1.915 10 5 BDBERN C[C@@H](Nc1ncccc1[N+](=O)[O-])[C@H](C)O ZINC000336745948 635259431 /nfs/dbraw/zinc/25/94/31/635259431.db2.gz ASPULUZSHFWXGT-RQJHMYQMSA-N 0 0 211.221 1.171 10 5 BDBERN C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@H](C)O ZINC000346362462 637090638 /nfs/dbraw/zinc/09/06/38/637090638.db2.gz BQZQTPBNZBLFKT-RITPCOANSA-N 0 0 244.272 1.155 10 5 BDBERN O=[N+]([O-])c1c(F)cccc1N[C@@H]1CNOC1 ZINC000722487526 711759550 /nfs/dbraw/zinc/75/95/50/711759550.db2.gz QCHCZOBDKJTCTP-ZCFIWIBFSA-N 0 0 227.195 1.049 10 5 BDBERN O=Cc1cc(-n2ccnc2)ccc1[N+](=O)[O-] ZINC000197320865 711927050 /nfs/dbraw/zinc/92/70/50/711927050.db2.gz YNGPXTYKHMNFKX-UHFFFAOYSA-N 0 0 217.184 1.593 10 5 BDBERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1cn(C)nn1 ZINC000715875471 712538582 /nfs/dbraw/zinc/53/85/82/712538582.db2.gz DTTQNUUDLJEMAX-MRVPVSSYSA-N 0 0 247.258 1.896 10 5 BDBERN NN=c1nc(-c2ccc([N+](=O)[O-])cc2)cc[nH]1 ZINC000072417043 398137934 /nfs/dbraw/zinc/13/79/34/398137934.db2.gz XXLUQADSTXGYLN-UHFFFAOYSA-N 0 0 231.215 1.337 10 5 BDBERN Cc1cc([N+](=O)[O-])ccc1NCc1nc[nH]n1 ZINC000037920159 178272233 /nfs/dbraw/zinc/27/22/33/178272233.db2.gz PTIMLVFHEQRRDX-UHFFFAOYSA-N 0 0 233.231 1.633 10 5 BDBERN CCOC(=O)/C(=C\[N+](=O)[O-])c1ccccc1 ZINC000146537946 342770028 /nfs/dbraw/zinc/77/00/28/342770028.db2.gz RNIIKTDROOVNRM-NTMALXAHSA-N 0 0 221.212 1.867 10 5 BDBERN C[C@@H](O)CNc1cc([N+](=O)[O-])cc(Cl)n1 ZINC000219680275 342888997 /nfs/dbraw/zinc/88/89/97/342888997.db2.gz ZLCSXFWQFAMSIG-RXMQYKEDSA-N 0 0 231.639 1.436 10 5 BDBERN C[C@H](O)CNc1cc([N+](=O)[O-])cc(Cl)n1 ZINC000219680354 342889108 /nfs/dbraw/zinc/88/91/08/342889108.db2.gz ZLCSXFWQFAMSIG-YFKPBYRVSA-N 0 0 231.639 1.436 10 5 BDBERN Cc1c(Cl)[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC000575442119 398328477 /nfs/dbraw/zinc/32/84/77/398328477.db2.gz JHWWSJKBUXCQGG-UHFFFAOYSA-N 0 0 223.015 1.843 10 5 BDBERN Cc1cc2[nH]c(=O)sc2cc1[N+](=O)[O-] ZINC000039394364 398329399 /nfs/dbraw/zinc/32/93/99/398329399.db2.gz GQTJEBLLXJYVNU-UHFFFAOYSA-N 0 0 210.214 1.806 10 5 BDBERN O=[N+]([O-])c1cnc(Cl)nc1OC1CCC1 ZINC000236057693 398345253 /nfs/dbraw/zinc/34/52/53/398345253.db2.gz KXKDBJDAQVNIEI-UHFFFAOYSA-N 0 0 229.623 1.970 10 5 BDBERN CC1=C[C@@H](C)[C@H](c2c([N+](=O)[O-])cnn2C)OC1 ZINC000216876869 342990744 /nfs/dbraw/zinc/99/07/44/342990744.db2.gz HESWFZOMBOKZKV-LDYMZIIASA-N 0 0 237.259 1.982 10 5 BDBERN COc1cc(C(N)=O)c(C)c([N+](=O)[O-])c1 ZINC000043220728 343008804 /nfs/dbraw/zinc/00/88/04/343008804.db2.gz MEIVURCGZBHIHS-UHFFFAOYSA-N 0 0 210.189 1.011 10 5 BDBERN CCc1nc2cc([N+](=O)[O-])ccc2c(=O)[nH]1 ZINC000166599277 343208277 /nfs/dbraw/zinc/20/82/77/343208277.db2.gz NTNSBVBHUDEQPT-UHFFFAOYSA-N 0 0 219.200 1.394 10 5 BDBERN NC(=O)N[C@H](C[N+](=O)[O-])c1ccccc1Cl ZINC000145333821 344029281 /nfs/dbraw/zinc/02/92/81/344029281.db2.gz QMKHBGUQKKUKLO-MRVPVSSYSA-N 0 0 243.650 1.326 10 5 BDBERN COC(=O)c1cc(C)c(F)cc1[N+](=O)[O-] ZINC000201111806 343350341 /nfs/dbraw/zinc/35/03/41/343350341.db2.gz JTCJXYDXMDXOTG-UHFFFAOYSA-N 0 0 213.164 1.829 10 5 BDBERN CN(C)c1nn(C)c2ccc([N+](=O)[O-])cc21 ZINC000149318234 343424927 /nfs/dbraw/zinc/42/49/27/343424927.db2.gz LSQYCRJPVDTRCB-UHFFFAOYSA-N 0 0 220.232 1.548 10 5 BDBERN Cn1cnc([N+](=O)[O-])c1CN1C[C@H]2CCC[C@H]21 ZINC000408291724 344464510 /nfs/dbraw/zinc/46/45/10/344464510.db2.gz PVTXTUJSTNTQNI-RKDXNWHRSA-N 0 0 236.275 1.313 10 5 BDBERN O=[N+]([O-])c1cccnc1N[C@@H]1CCC[C@@H]1O ZINC000077993694 344828507 /nfs/dbraw/zinc/82/85/07/344828507.db2.gz SQGRXHNATPUAQG-APPZFPTMSA-N 0 0 223.232 1.315 10 5 BDBERN O=[N+]([O-])c1sc(CO)cc1Br ZINC000039151011 345367318 /nfs/dbraw/zinc/36/73/18/345367318.db2.gz VJKODPRMMAGSOV-UHFFFAOYSA-N 0 0 238.062 1.911 10 5 BDBERN COc1ccccc1[C@@H](O)[C@@H](C)[N+](=O)[O-] ZINC000207392662 345758555 /nfs/dbraw/zinc/75/85/55/345758555.db2.gz JTQOMHDMLSERRE-XCBNKYQSSA-N 0 0 211.217 1.394 10 5 BDBERN N=C1SCC(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000032257248 345760613 /nfs/dbraw/zinc/76/06/13/345760613.db2.gz UJFQKJNVNBBYNA-UHFFFAOYSA-N 0 0 237.240 1.609 10 5 BDBERN COC(=O)Cn1ccc2cccc([N+](=O)[O-])c21 ZINC000148698545 346409099 /nfs/dbraw/zinc/40/90/99/346409099.db2.gz YDUMZMUVMTUPCS-UHFFFAOYSA-N 0 0 234.211 1.723 10 5 BDBERN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1nc[nH]n1 ZINC000061844725 179206468 /nfs/dbraw/zinc/20/64/68/179206468.db2.gz XBGVVPFOFOUUNQ-UHFFFAOYSA-N 0 0 247.214 1.274 10 5 BDBERN COP(=O)(OC)c1ccc([N+](=O)[O-])cc1 ZINC000196369730 347867676 /nfs/dbraw/zinc/86/76/76/347867676.db2.gz OXRTWURVQFBNEZ-UHFFFAOYSA-N 0 0 231.144 1.706 10 5 BDBERN C[C@@H](O)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000209400439 349041595 /nfs/dbraw/zinc/04/15/95/349041595.db2.gz YANYHLFQQYCCPL-GMSGAONNSA-N 0 0 211.217 1.399 10 5 BDBERN Cc1nccn1-c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000104293116 180229121 /nfs/dbraw/zinc/22/91/21/180229121.db2.gz LHXKLIMKGGRRTA-UHFFFAOYSA-N 0 0 246.226 1.188 10 5 BDBERN C[C@@H]1C[C@H]1Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000052292081 350980733 /nfs/dbraw/zinc/98/07/33/350980733.db2.gz JLAKSHIDFUDROJ-HZGVNTEJSA-N 0 0 235.243 1.514 10 5 BDBERN O=c1[nH]ccc(Br)c1[N+](=O)[O-] ZINC000307028202 351436214 /nfs/dbraw/zinc/43/62/14/351436214.db2.gz MNEFANNHKMSSBA-UHFFFAOYSA-N 0 0 218.994 1.458 10 5 BDBERN O=[N+]([O-])c1cc(F)nc(Br)c1 ZINC000307435609 352595983 /nfs/dbraw/zinc/59/59/83/352595983.db2.gz OFZXROVYVUOBDA-UHFFFAOYSA-N 0 0 220.985 1.891 10 5 BDBERN Cn1nc(C=O)c2ccc([N+](=O)[O-])cc21 ZINC000299889675 180804426 /nfs/dbraw/zinc/80/44/26/180804426.db2.gz MVLPTQOZCJKCCF-UHFFFAOYSA-N 0 0 205.173 1.294 10 5 BDBERN O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@@H]2O)cc1 ZINC000223169089 353181220 /nfs/dbraw/zinc/18/12/20/353181220.db2.gz GCYCTEPFPAITLU-MNOVXSKESA-N 0 0 222.244 1.920 10 5 BDBERN Cc1cccc([N+](=O)[O-])c1-c1nc(N)n[nH]1 ZINC000034963932 188466734 /nfs/dbraw/zinc/46/67/34/188466734.db2.gz JXUVITPXRXGBNE-UHFFFAOYSA-N 0 0 219.204 1.271 10 5 BDBERN O=[N+]([O-])[C@@H](Br)[C@@H](O)c1ccccc1 ZINC000006116230 355874378 /nfs/dbraw/zinc/87/43/78/355874378.db2.gz DCJFCWOKZWRLBT-JGVFFNPUSA-N 0 0 246.060 1.718 10 5 BDBERN CCCN1Cc2ccc([N+](=O)[O-])cc2C1=O ZINC000223932721 538594586 /nfs/dbraw/zinc/59/45/86/538594586.db2.gz MAVFWJKLIZPTRC-UHFFFAOYSA-N 0 0 220.228 1.961 10 5 BDBERN C=CS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000035322395 357070470 /nfs/dbraw/zinc/07/04/70/357070470.db2.gz NKCACQLHTNZVSX-UHFFFAOYSA-N 0 0 213.214 1.512 10 5 BDBERN C[C@@H](O)CNc1nc(Cl)ccc1[N+](=O)[O-] ZINC000035607058 358005259 /nfs/dbraw/zinc/00/52/59/358005259.db2.gz GMWKUHSNBTVOGJ-RXMQYKEDSA-N 0 0 231.639 1.436 10 5 BDBERN Cc1cc(-n2cncn2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000584613597 358277856 /nfs/dbraw/zinc/27/78/56/358277856.db2.gz RKOLPPJYXXSQNK-UHFFFAOYSA-N 0 0 249.186 1.392 10 5 BDBERN COC(=O)CCCCCC[C@H](O)C[N+](=O)[O-] ZINC000584607030 358267155 /nfs/dbraw/zinc/26/71/55/358267155.db2.gz RQMDPUHEDIYDIQ-VIFPVBQESA-N 0 0 233.264 1.138 10 5 BDBERN O=C(c1cc([N+](=O)[O-])on1)c1ccccc1 ZINC000584631123 358267960 /nfs/dbraw/zinc/26/79/60/358267960.db2.gz VOHGOKHITZCIBJ-UHFFFAOYSA-N 0 0 218.168 1.814 10 5 BDBERN CC(=O)O[C@@H](C[N+](=O)[O-])c1ccc(C)cc1 ZINC000584610551 358273805 /nfs/dbraw/zinc/27/38/05/358273805.db2.gz PCGGOIYWJRCSNA-NSHDSACASA-N 0 0 223.228 1.876 10 5 BDBERN CCC1(OC(C)=O)C=CC(C)([N+](=O)[O-])C=C1 ZINC000584657039 358309012 /nfs/dbraw/zinc/30/90/12/358309012.db2.gz VJMAXVMALASPGP-UHFFFAOYSA-N 0 0 225.244 1.860 10 5 BDBERN O=c1oc2ccccc2c2nnncc(=S)c12 ZINC000584639268 358324619 /nfs/dbraw/zinc/32/46/19/358324619.db2.gz JSOXSQRNFSTOEU-UHFFFAOYSA-N 0 0 243.247 1.861 10 5 BDBERN Cc1cc([N+](=O)[O-])sc1NC[C@@H](C)O ZINC000306224595 359349210 /nfs/dbraw/zinc/34/92/10/359349210.db2.gz UKZGRLGWISGYJQ-ZCFIWIBFSA-N 0 0 216.262 1.757 10 5 BDBERN Nc1cc(Br)cc([N+](=O)[O-])n1 ZINC000306321230 359606073 /nfs/dbraw/zinc/60/60/73/359606073.db2.gz BGIOLPUNIRWKGY-UHFFFAOYSA-N 0 0 218.010 1.335 10 5 BDBERN NNc1cccc(Br)c1[N+](=O)[O-] ZINC000306581230 360478780 /nfs/dbraw/zinc/47/87/80/360478780.db2.gz ZIMRDYHUVYCGJW-UHFFFAOYSA-N 0 0 232.037 1.643 10 5 BDBERN NC(=S)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000074413432 181315505 /nfs/dbraw/zinc/31/55/05/181315505.db2.gz AVJSBBBFJBORPJ-ZZXKWVIFSA-N 0 0 208.242 1.894 10 5 BDBERN O=c1cc([N+](=O)[O-])c(OC(F)(F)F)c[nH]1 ZINC000238704246 361364206 /nfs/dbraw/zinc/36/42/06/361364206.db2.gz CWFCPUOPRJWVII-UHFFFAOYSA-N 0 0 224.094 1.594 10 5 BDBERN COC(=O)CCc1ccccc1[N+](=O)[O-] ZINC000034455518 368324157 /nfs/dbraw/zinc/32/41/57/368324157.db2.gz JZUUWUDINSQSRJ-UHFFFAOYSA-N 0 0 209.201 1.700 10 5 BDBERN C[C@@H]1C[C@H](O)CCN1c1ncc([N+](=O)[O-])s1 ZINC000601214038 371738584 /nfs/dbraw/zinc/73/85/84/371738584.db2.gz QHKMXTCTQQDQDY-RNFRBKRXSA-N 0 0 243.288 1.401 10 5 BDBERN CC(=O)C(C(C)=O)[C@@H](C[N+](=O)[O-])c1ccco1 ZINC000216797339 371817191 /nfs/dbraw/zinc/81/71/91/371817191.db2.gz NNPRUNPCDSRXQP-VIFPVBQESA-N 0 0 239.227 1.434 10 5 BDBERN COc1cc(OC)c(F)c([N+](=O)[O-])c1 ZINC000307411316 372119023 /nfs/dbraw/zinc/11/90/23/372119023.db2.gz FUSFHZBVEXEVDN-UHFFFAOYSA-N 0 0 201.153 1.751 10 5 BDBERN CC(=O)Nc1c(C)cc(O)cc1[N+](=O)[O-] ZINC000039108931 372868598 /nfs/dbraw/zinc/86/85/98/372868598.db2.gz RCRRWHLTIBBXKY-UHFFFAOYSA-N 0 0 210.189 1.567 10 5 BDBERN CC(=O)O[C@H](c1ccccc1)[C@H](C)[N+](=O)[O-] ZINC000039221766 372910175 /nfs/dbraw/zinc/91/01/75/372910175.db2.gz LCNVWDVWJBEJTA-KWQFWETISA-N 0 0 223.228 1.956 10 5 BDBERN O=C(NCc1cn[nH]c1)c1cccc([N+](=O)[O-])c1 ZINC000037983122 182270505 /nfs/dbraw/zinc/27/05/05/182270505.db2.gz QSIZMOQKHGZMTL-UHFFFAOYSA-N 0 0 246.226 1.248 10 5 BDBERN CCCCNC(=O)c1ccc([N+](=O)[O-])c(N)c1 ZINC000054414222 168861908 /nfs/dbraw/zinc/86/19/08/168861908.db2.gz ZVBXHBPPAABKKB-UHFFFAOYSA-N 0 0 237.259 1.707 10 5 BDBERN O=[N+]([O-])c1cc(C2OCCO2)ccc1F ZINC000044229784 182922602 /nfs/dbraw/zinc/92/26/02/182922602.db2.gz RWFQYHIAELJHSF-UHFFFAOYSA-N 0 0 213.164 1.779 10 5 BDBERN O=[N+]([O-])c1ccc(-n2cncn2)c2ccncc21 ZINC000104295687 182927244 /nfs/dbraw/zinc/92/72/44/182927244.db2.gz YDHPHXMXOAAYPU-UHFFFAOYSA-N 0 0 241.210 1.724 10 5 BDBERN O=[N+]([O-])c1ccc2c(c1)c(NO)cc[n+]2[O-] ZINC000095882212 182941655 /nfs/dbraw/zinc/94/16/55/182941655.db2.gz KXRDUCMDYLHYRL-UHFFFAOYSA-N 0 0 221.172 1.183 10 5 BDBERN O=c1oc2cccc3c2n1c(=O)c1ccccc31 ZINC000039136204 384109669 /nfs/dbraw/zinc/10/96/69/384109669.db2.gz DZIYIXAQZHETBG-UHFFFAOYSA-N 0 0 237.214 1.997 10 5 BDBERN COC[C@H](O)CNc1cc(F)ccc1[N+](=O)[O-] ZINC000071271782 384779917 /nfs/dbraw/zinc/77/99/17/384779917.db2.gz YAJPCRNFRBJARS-MRVPVSSYSA-N 0 0 244.222 1.153 10 5 BDBERN O=[N+]([O-])c1ccc2c(c1)C[C@@H](CO)CC2 ZINC000536952873 384805054 /nfs/dbraw/zinc/80/50/54/384805054.db2.gz HPBLCSTYHVVDRU-QMMMGPOBSA-N 0 0 207.229 1.692 10 5 BDBERN COc1ccc([N+](=O)[O-])cc1-c1n[nH]c(C)n1 ZINC000072237775 384844610 /nfs/dbraw/zinc/84/46/10/384844610.db2.gz HEHANKKILNOTEI-UHFFFAOYSA-N 0 0 234.215 1.697 10 5 BDBERN CCOC(=O)Cc1ccc(C)c([N+](=O)[O-])c1N ZINC000575727008 384914475 /nfs/dbraw/zinc/91/44/75/384914475.db2.gz SGELALZJLBNGJY-UHFFFAOYSA-N 0 0 238.243 1.591 10 5 BDBERN O=c1[nH]c2cc3ccccc3cc2c(=O)[nH]1 ZINC000032249480 385140091 /nfs/dbraw/zinc/14/00/91/385140091.db2.gz TUYHDHWBWUTAQM-UHFFFAOYSA-N 0 0 212.208 1.370 10 5 BDBERN C[C@]1(F)CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000408047660 385173347 /nfs/dbraw/zinc/17/33/47/385173347.db2.gz HWGQAIIWALAQGS-JTQLQIEISA-N 0 0 225.223 1.928 10 5 BDBERN Cc1ccc(N2CCOCC2)cc1[N+](=O)[O-] ZINC000113691525 385281649 /nfs/dbraw/zinc/28/16/49/385281649.db2.gz CYMDJHMDVUTLRA-UHFFFAOYSA-N 0 0 222.244 1.740 10 5 BDBERN CN(CCO)c1cc(F)ccc1[N+](=O)[O-] ZINC000052121534 385703291 /nfs/dbraw/zinc/70/32/91/385703291.db2.gz VBWLIKSSLGGWEQ-UHFFFAOYSA-N 0 0 214.196 1.162 10 5 BDBERN COC(=O)Cc1cc(C)c([N+](=O)[O-])c(C)c1 ZINC000260156671 385713899 /nfs/dbraw/zinc/71/38/99/385713899.db2.gz UYPQGYRWEUOBOR-UHFFFAOYSA-N 0 0 223.228 1.927 10 5 BDBERN CC(C)(C)[C@H](O)CNc1ncc([N+](=O)[O-])s1 ZINC000309673014 385786353 /nfs/dbraw/zinc/78/63/53/385786353.db2.gz KRZPHAFCWVOXER-ZCFIWIBFSA-N 0 0 245.304 1.870 10 5 BDBERN NOc1cccc([N+](=O)[O-])c1Br ZINC000307094048 385905283 /nfs/dbraw/zinc/90/52/83/385905283.db2.gz BSMATVZVUAUANW-UHFFFAOYSA-N 0 0 233.021 1.610 10 5 BDBERN Nc1nc(N2CC[C@H]3CCC[C@H]32)ncc1[N+](=O)[O-] ZINC000408361617 386240431 /nfs/dbraw/zinc/24/04/31/386240431.db2.gz HYOCPTFUSKRQNQ-HTQZYQBOSA-N 0 0 249.274 1.176 10 5 BDBERN Cn1cnc([N+](=O)[O-])c1N1CC[C@@H]2CCC[C@H]21 ZINC000408362517 386292313 /nfs/dbraw/zinc/29/23/13/386292313.db2.gz OYHWOUKZDUXIKL-DTWKUNHWSA-N 0 0 236.275 1.707 10 5 BDBERN O=[N+]([O-])c1cnc(N2CC[C@H]3CCC[C@@H]32)nc1 ZINC000408362729 386297857 /nfs/dbraw/zinc/29/78/57/386297857.db2.gz QSPQAXPHKNUPCD-SCZZXKLOSA-N 0 0 234.259 1.764 10 5 BDBERN CCC[C@H]1C[C@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000267691974 386461318 /nfs/dbraw/zinc/46/13/18/386461318.db2.gz QQKDXXQYNSZKHO-NKWVEPMBSA-N 0 0 237.263 1.568 10 5 BDBERN O=Cc1cc([N+](=O)[O-])cc(O)c1OC(F)F ZINC000575662660 387199626 /nfs/dbraw/zinc/19/96/26/387199626.db2.gz FTPPDIRGTIXGFZ-UHFFFAOYSA-N 0 0 233.126 1.714 10 5 BDBERN O=[N+]([O-])c1cc(OC(F)F)cc(O)c1CO ZINC000575663425 387286982 /nfs/dbraw/zinc/28/69/82/387286982.db2.gz ZFYHRWROHKXSMV-UHFFFAOYSA-N 0 0 235.142 1.394 10 5 BDBERN COC(=O)Cc1cc(C)c(OC)cc1[N+](=O)[O-] ZINC000575679543 387360674 /nfs/dbraw/zinc/36/06/74/387360674.db2.gz WPFQSWVHZCTFIW-UHFFFAOYSA-N 0 0 239.227 1.627 10 5 BDBERN COC(=O)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000026438533 387340878 /nfs/dbraw/zinc/34/08/78/387340878.db2.gz CUJMOCFFAPUMHI-UHFFFAOYSA-N 0 0 232.195 1.930 10 5 BDBERN COc1cc([N+](=O)[O-])cc(C(N)=O)c1C ZINC000575673793 387342852 /nfs/dbraw/zinc/34/28/52/387342852.db2.gz OJYFYFPMMBWDES-UHFFFAOYSA-N 0 0 210.189 1.011 10 5 BDBERN COC(=O)Cc1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000575715314 387431011 /nfs/dbraw/zinc/43/10/11/387431011.db2.gz VZAMNBXVQLFXDJ-UHFFFAOYSA-N 0 0 243.190 1.458 10 5 BDBERN COc1ccc([N+](=O)[O-])c(C(C)=O)c1N ZINC000575717112 387434505 /nfs/dbraw/zinc/43/45/05/387434505.db2.gz RLQXTULRFLJAIH-UHFFFAOYSA-N 0 0 210.189 1.388 10 5 BDBERN COc1cc(N)cc(Br)c1[N+](=O)[O-] ZINC000575720056 387441139 /nfs/dbraw/zinc/44/11/39/387441139.db2.gz DJWMRQTWBGSAPI-UHFFFAOYSA-N 0 0 247.048 1.948 10 5 BDBERN COc1ccc(Cl)c([N+](=O)[O-])c1N ZINC000575720259 387441393 /nfs/dbraw/zinc/44/13/93/387441393.db2.gz JZKUAJBFVDTZAS-UHFFFAOYSA-N 0 0 202.597 1.839 10 5 BDBERN COc1c(N)c(Cl)ccc1[N+](=O)[O-] ZINC000575720958 387443146 /nfs/dbraw/zinc/44/31/46/387443146.db2.gz WKUIDNKRPKOIBI-UHFFFAOYSA-N 0 0 202.597 1.839 10 5 BDBERN COc1c(OC(F)F)c(N)ccc1[N+](=O)[O-] ZINC000575721134 387443198 /nfs/dbraw/zinc/44/31/98/387443198.db2.gz IPOLHLAKYSEADR-UHFFFAOYSA-N 0 0 234.158 1.787 10 5 BDBERN COc1cc([N+](=O)[O-])c(OC(F)F)cc1N ZINC000575721217 387443220 /nfs/dbraw/zinc/44/32/20/387443220.db2.gz KMVMRKNDMIYMPC-UHFFFAOYSA-N 0 0 234.158 1.787 10 5 BDBERN CCOc1cc(N)c([N+](=O)[O-])c(OCC)c1 ZINC000575721514 387445356 /nfs/dbraw/zinc/44/53/56/387445356.db2.gz NMJOHWFTHOWRDT-UHFFFAOYSA-N 0 0 226.232 1.974 10 5 BDBERN CCOC(=O)Cc1c(C)ccc(N)c1[N+](=O)[O-] ZINC000575724739 387459347 /nfs/dbraw/zinc/45/93/47/387459347.db2.gz AUQFMBFSVJIRMY-UHFFFAOYSA-N 0 0 238.243 1.591 10 5 BDBERN CCOc1c(F)cc([N+](=O)[O-])cc1C=O ZINC000575697247 387390762 /nfs/dbraw/zinc/39/07/62/387390762.db2.gz RXGAURLDEXWDAU-UHFFFAOYSA-N 0 0 213.164 1.945 10 5 BDBERN CCOc1cc(C)c([N+](=O)[O-])cc1CO ZINC000575699367 387402151 /nfs/dbraw/zinc/40/21/51/387402151.db2.gz UUNCBGUNAVZKGY-UHFFFAOYSA-N 0 0 211.217 1.794 10 5 BDBERN COc1ccc(CO)c([N+](=O)[O-])c1F ZINC000575708795 387413749 /nfs/dbraw/zinc/41/37/49/387413749.db2.gz QWBHFZHXISSDHI-UHFFFAOYSA-N 0 0 201.153 1.235 10 5 BDBERN CCOC(=O)Cc1c(N)cc(C)cc1[N+](=O)[O-] ZINC000575726995 387463639 /nfs/dbraw/zinc/46/36/39/387463639.db2.gz SASXORYPCWFIBB-UHFFFAOYSA-N 0 0 238.243 1.591 10 5 BDBERN C[S@@](=O)c1nc2cc([N+](=O)[O-])ccc2s1 ZINC000299889281 388344682 /nfs/dbraw/zinc/34/46/82/388344682.db2.gz GWQXTGDMIJOQAO-OAHLLOKOSA-N 0 0 242.281 1.942 10 5 BDBERN COC(=O)CCCNc1ccc([N+](=O)[O-])cn1 ZINC000299271297 388500610 /nfs/dbraw/zinc/50/06/10/388500610.db2.gz SVTRGUMONYRMKC-UHFFFAOYSA-N 0 0 239.231 1.355 10 5 BDBERN C[C@H]1[C@H](O)CCCN1c1ccc([N+](=O)[O-])cc1 ZINC000294997826 132307786 /nfs/dbraw/zinc/30/77/86/132307786.db2.gz NWOLEXLMFCAEFG-JOYOIKCWSA-N 0 0 236.271 1.944 10 5 BDBERN C[C@@H]1C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000075528729 398101808 /nfs/dbraw/zinc/10/18/08/398101808.db2.gz IRAPMWIRWNIYEH-RITPCOANSA-N 0 0 210.189 1.326 10 5 BDBERN CC(C)Oc1ccc(CO)cc1[N+](=O)[O-] ZINC000020468569 167293330 /nfs/dbraw/zinc/29/33/30/167293330.db2.gz UPASQEQDCGBXOR-UHFFFAOYSA-N 0 0 211.217 1.874 10 5 BDBERN CCNc1ccc([N+](=O)[O-])cc1C(N)=O ZINC000048400144 170174072 /nfs/dbraw/zinc/17/40/72/170174072.db2.gz YKPIBMYSSLFRSF-UHFFFAOYSA-N 0 0 209.205 1.126 10 5 BDBERN CCOC(=O)Cc1ccc([N+](=O)[O-])cc1N ZINC000299890194 170236182 /nfs/dbraw/zinc/23/61/82/170236182.db2.gz VQYBSKKXKWBQRX-UHFFFAOYSA-N 0 0 224.216 1.283 10 5 BDBERN CCOC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000095093359 170236194 /nfs/dbraw/zinc/23/61/94/170236194.db2.gz GOENVZCZBYDNMQ-UHFFFAOYSA-N 0 0 227.191 1.840 10 5 BDBERN CCOC(=O)c1c(OC)cccc1[N+](=O)[O-] ZINC000089064090 170289099 /nfs/dbraw/zinc/28/90/99/170289099.db2.gz CTSQQXACOLENTJ-UHFFFAOYSA-N 0 0 225.200 1.780 10 5 BDBERN CCOC(=O)c1cc(Cl)c([N+](=O)[O-])cn1 ZINC000095761653 170292434 /nfs/dbraw/zinc/29/24/34/170292434.db2.gz JGXIYZGUFNXWJE-UHFFFAOYSA-N 0 0 230.607 1.820 10 5 BDBERN CNC(=O)CCNc1cc(F)ccc1[N+](=O)[O-] ZINC000052120702 173262412 /nfs/dbraw/zinc/26/24/12/173262412.db2.gz STLDLHVUPBECFF-UHFFFAOYSA-N 0 0 241.222 1.282 10 5 BDBERN CNC(=O)c1ccc2cccc([N+](=O)[O-])c2n1 ZINC000084708548 173311398 /nfs/dbraw/zinc/31/13/98/173311398.db2.gz KEQQTZYEKLECDB-UHFFFAOYSA-N 0 0 231.211 1.503 10 5 BDBERN CNc1nccc(OC2CC2)c1[N+](=O)[O-] ZINC000095728317 173488394 /nfs/dbraw/zinc/48/83/94/173488394.db2.gz OWVJQTANVWNITL-UHFFFAOYSA-N 0 0 209.205 1.573 10 5 BDBERN COCCCOc1ccc([N+](=O)[O-])cc1CO ZINC000037753967 174256960 /nfs/dbraw/zinc/25/69/60/174256960.db2.gz OYTKMCVNNAAWIJ-UHFFFAOYSA-N 0 0 241.243 1.502 10 5 BDBERN COc1cc([N+](=O)[O-])cc(CO)c1OC ZINC000098181537 175018076 /nfs/dbraw/zinc/01/80/76/175018076.db2.gz FNKSXKRYWRMABF-UHFFFAOYSA-N 0 0 213.189 1.104 10 5 BDBERN COc1cc([N+](=O)[O-])ncc1OC1CC1 ZINC000095730453 175018677 /nfs/dbraw/zinc/01/86/77/175018677.db2.gz NEXALLHLYOKOBB-UHFFFAOYSA-N 0 0 210.189 1.540 10 5 BDBERN COc1ccc(N[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000104066327 175155678 /nfs/dbraw/zinc/15/56/78/175155678.db2.gz YQRVLDOJRHMNQE-QMMMGPOBSA-N 0 0 238.243 1.804 10 5 BDBERN COc1ccc([N+](=O)[O-])cc1OCCC(C)=O ZINC000037977938 175200692 /nfs/dbraw/zinc/20/06/92/175200692.db2.gz LBFIHNKQBPPOPG-UHFFFAOYSA-N 0 0 239.227 1.961 10 5 BDBERN COc1ccc([N+](=O)[O-])cc1OC[C@@H]1CO1 ZINC000022173302 175201245 /nfs/dbraw/zinc/20/12/45/175201245.db2.gz OJZUZVVZZONWBK-QMMMGPOBSA-N 0 0 225.200 1.381 10 5 BDBERN COc1ccc2ccc3nc(N)[nH]c(=O)c3c2c1 ZINC000013832396 175225558 /nfs/dbraw/zinc/22/55/58/175225558.db2.gz GKUPFLWKPATNMY-UHFFFAOYSA-N 0 0 241.250 1.667 10 5 BDBERN COc1cnc([N+](=O)[O-])cc1OC1CC1 ZINC000095731021 175382277 /nfs/dbraw/zinc/38/22/77/175382277.db2.gz HPQPANOXDMNPBM-UHFFFAOYSA-N 0 0 210.189 1.540 10 5 BDBERN C[C@@H](O)[C@@H](C)Oc1cccc([N+](=O)[O-])c1 ZINC000087138904 175992825 /nfs/dbraw/zinc/99/28/25/175992825.db2.gz FPEWRURATVMBND-HTQZYQBOSA-N 0 0 211.217 1.743 10 5 BDBERN C[C@@H](c1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000091302146 176016382 /nfs/dbraw/zinc/01/63/82/176016382.db2.gz QIYBRUQLBAEJGZ-JTQLQIEISA-N 0 0 236.271 1.988 10 5 BDBERN C[C@@H]1CCCN1CC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000037911686 176108065 /nfs/dbraw/zinc/10/80/65/176108065.db2.gz FUROFPGEJRWUBB-MRVPVSSYSA-N 0 0 237.259 1.590 10 5 BDBERN C[C@H](O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000253577935 177016971 /nfs/dbraw/zinc/01/69/71/177016971.db2.gz XRHBSNBTYVXXQY-LURJTMIESA-N 0 0 245.256 1.052 10 5 BDBERN C[C@H]1C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000075509018 177349395 /nfs/dbraw/zinc/34/93/95/177349395.db2.gz NHOKPVMXPANZSQ-WKEGUHRASA-N 0 0 238.218 1.872 10 5 BDBERN C[C@H]1C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000075528392 177384735 /nfs/dbraw/zinc/38/47/35/177384735.db2.gz PSZVFUODYNYSBL-OIBJUYFYSA-N 0 0 220.228 1.733 10 5 BDBERN CC(C)=CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C ZINC000065743289 488014725 /nfs/dbraw/zinc/01/47/25/488014725.db2.gz KGPNNIOVWVIXOR-SNVBAGLBSA-O 0 0 244.311 1.045 10 5 in-vitro BDBERN Cn1ccc(=O)c2ccc3c(=O)ccn(C)c3c21 ZINC000299890107 527337918 /nfs/dbraw/zinc/33/79/18/527337918.db2.gz UJMQRNBHOPRPOF-UHFFFAOYSA-N 0 0 240.262 1.390 10 5 BDBERN COC1CC(Nc2nc(C)ccc2[N+](=O)[O-])C1 ZINC000230597140 632817412 /nfs/dbraw/zinc/81/74/12/632817412.db2.gz IWIUTMHWDFCEMH-UHFFFAOYSA-N 0 0 237.259 1.888 10 5 BDBERN COc1cc(N[C@@H](C)[C@H](C)O)ccc1[N+](=O)[O-] ZINC000343782074 636772680 /nfs/dbraw/zinc/77/26/80/636772680.db2.gz AXSNITPCKMXSIE-YUMQZZPRSA-N 0 0 240.259 1.785 10 5 BDBERN C[C@H](O)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000346516066 643575525 /nfs/dbraw/zinc/57/55/25/643575525.db2.gz QFNDPLUTDXPMKH-WDSKDSINSA-N 0 0 244.272 1.155 10 5 BDBERN O=C1Nc2cc(Cl)c([N+](=O)[O-])cc2C1=O ZINC000084250314 644420494 /nfs/dbraw/zinc/42/04/94/644420494.db2.gz HKYMIAGUHQPJDN-UHFFFAOYSA-N 0 0 226.575 1.383 10 5 BDBERN COC(=O)C[C@H](N)c1ccc([N+](=O)[O-])s1 ZINC000095638536 644761318 /nfs/dbraw/zinc/76/13/18/644761318.db2.gz UYYFLECOTVVDPU-YFKPBYRVSA-N 0 0 230.245 1.219 10 5 BDBERN Cc1ccc([N+](=O)[O-])c(N2CC=CCN2)n1 ZINC000705189794 712125250 /nfs/dbraw/zinc/12/52/50/712125250.db2.gz SUEJMFIPLPNUPH-UHFFFAOYSA-N 0 0 220.232 1.179 10 5 BDBERN Cc1cc([N+](=O)[O-])cnc1Oc1cnn(C)c1 ZINC000302264280 178274985 /nfs/dbraw/zinc/27/49/85/178274985.db2.gz FBJLDZHXTPMUMP-UHFFFAOYSA-N 0 0 234.215 1.824 10 5 BDBERN Cc1cc2nc(N)[nH]c(=O)c2c2ccccc12 ZINC000013832401 178301290 /nfs/dbraw/zinc/30/12/90/178301290.db2.gz WBCBIFZAKMWASR-UHFFFAOYSA-N 0 0 225.251 1.967 10 5 BDBERN O=C(c1cccc([N+](=O)[O-])c1)N1CCSC1 ZINC000147547605 342777795 /nfs/dbraw/zinc/77/77/95/342777795.db2.gz BUVKYOYGAYIJAE-UHFFFAOYSA-N 0 0 238.268 1.741 10 5 BDBERN CC(C)CC(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C ZINC000012494207 342852760 /nfs/dbraw/zinc/85/27/60/342852760.db2.gz IGQBPDJNUXPEMT-JTQLQIEISA-O 0 0 246.327 1.125 10 5 endogenous,in-man BDBERN C[C@@H]1OCC[C@@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000134575097 342869142 /nfs/dbraw/zinc/86/91/42/342869142.db2.gz UEDDZKJFNNJEFN-CBAPKCEASA-N 0 0 223.232 1.579 10 5 BDBERN O=Cc1ncc(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000309199763 342907657 /nfs/dbraw/zinc/90/76/57/342907657.db2.gz WSOANFVDGUFDFK-UHFFFAOYSA-N 0 0 236.105 1.701 10 5 BDBERN O=[N+]([O-])c1ccc(F)cc1N1CC[C@@H](O)C1 ZINC000061707597 398343601 /nfs/dbraw/zinc/34/36/01/398343601.db2.gz LBSZBPUYGDQRQT-MRVPVSSYSA-N 0 0 226.207 1.305 10 5 BDBERN Nc1nc2cc(CO)c3ccccc3c2c(=O)[nH]1 ZINC000013832405 343105553 /nfs/dbraw/zinc/10/55/53/343105553.db2.gz NUZGTHRCAKDJOX-UHFFFAOYSA-N 0 0 241.250 1.151 10 5 BDBERN COc1cc([N+](=O)[O-])ccc1OC[C@H]1CO1 ZINC000050505060 343160907 /nfs/dbraw/zinc/16/09/07/343160907.db2.gz DLMJYGVCWQZKMM-MRVPVSSYSA-N 0 0 225.200 1.381 10 5 BDBERN CC[C@H]([C@H](C)C[C@H](O)[C@@H](CC)[N+](=O)[O-])[N+](=O)[O-] ZINC000201602963 343389044 /nfs/dbraw/zinc/38/90/44/343389044.db2.gz XQRYHVHWSUEGDW-KYXWUPHJSA-N 0 0 248.279 1.484 10 5 BDBERN O=Cc1cc2cccnc2cc1[N+](=O)[O-] ZINC000148245546 343390594 /nfs/dbraw/zinc/39/05/94/343390594.db2.gz HSZTVYCMBSQRPO-UHFFFAOYSA-N 0 0 202.169 1.956 10 5 BDBERN COC[C@H](C)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000083370127 343588812 /nfs/dbraw/zinc/58/88/12/343588812.db2.gz RGTNRALCWNHMLF-QMMMGPOBSA-N 0 0 242.250 1.858 10 5 BDBERN O=Cc1cc(OC(F)(F)F)cc([N+](=O)[O-])n1 ZINC000309553504 343745733 /nfs/dbraw/zinc/74/57/33/343745733.db2.gz LHOJUNBOXIISOI-UHFFFAOYSA-N 0 0 236.105 1.701 10 5 BDBERN O=[N+]([O-])c1cccnc1NCC1CC(O)C1 ZINC000084448722 344431959 /nfs/dbraw/zinc/43/19/59/344431959.db2.gz GJIQNAHFTUIPBC-UHFFFAOYSA-N 0 0 223.232 1.173 10 5 BDBERN COC(=O)C=Cc1[nH]nc2cc([N+](=O)[O-])ccc12 ZINC000145688143 344381017 /nfs/dbraw/zinc/38/10/17/344381017.db2.gz PRARDYYJMFWBCW-SNAWJCMRSA-N 0 0 247.210 1.657 10 5 BDBERN O=[N+]([O-])c1cc(F)cnc1NCC1CC(O)C1 ZINC000400353111 344517107 /nfs/dbraw/zinc/51/71/07/344517107.db2.gz JQEOGZVZDZFEBP-UHFFFAOYSA-N 0 0 241.222 1.312 10 5 BDBERN O=[N+]([O-])c1ccnc(OC(F)(F)F)c1 ZINC000238532738 345071040 /nfs/dbraw/zinc/07/10/40/345071040.db2.gz LFLCMZKMRACYCH-UHFFFAOYSA-N 0 0 208.095 1.888 10 5 BDBERN Cn1cnc([N+](=O)[O-])c1CN1C[C@@H]2CCC[C@@H]21 ZINC000408291723 345056232 /nfs/dbraw/zinc/05/62/32/345056232.db2.gz PVTXTUJSTNTQNI-IUCAKERBSA-N 0 0 236.275 1.313 10 5 BDBERN O=[N+]([O-])c1ccc(-c2nn[nH]n2)c2c1NCCC2 ZINC000408494370 345377398 /nfs/dbraw/zinc/37/73/98/345377398.db2.gz GYMZSKWHDWFVDU-UHFFFAOYSA-N 0 0 246.230 1.133 10 5 BDBERN C[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)C(C)(C)C ZINC000085705473 345529155 /nfs/dbraw/zinc/52/91/55/345529155.db2.gz MVLSTPSIKWBXDY-LURJTMIESA-N 0 0 239.279 1.814 10 5 BDBERN C[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000034867342 345842620 /nfs/dbraw/zinc/84/26/20/345842620.db2.gz OTUTVZBRKAKMKO-XCBNKYQSSA-N 0 0 211.217 1.257 10 5 BDBERN C[C@@H](O)c1ccc([C@@H](C)O)c([N+](=O)[O-])c1 ZINC000143390393 345865173 /nfs/dbraw/zinc/86/51/73/345865173.db2.gz LKLZYVWHVHFVON-RNFRBKRXSA-N 0 0 211.217 1.701 10 5 BDBERN COc1cnc2[nH]cc([N+](=O)[O-])c2c1F ZINC000143237090 345865411 /nfs/dbraw/zinc/86/54/11/345865411.db2.gz MHQHNMJVQKUNEQ-UHFFFAOYSA-N 0 0 211.152 1.619 10 5 BDBERN O=[N+]([O-])c1cnc(N[C@@H]2CCC[C@H]3C[C@H]32)nc1 ZINC000591991373 347720944 /nfs/dbraw/zinc/72/09/44/347720944.db2.gz GCFWYVONDIVIJO-FXBDTBDDSA-N 0 0 234.259 1.985 10 5 BDBERN Cc1ccccc1Nc1nc[nH]c(=O)c1[N+](=O)[O-] ZINC000040648053 179308246 /nfs/dbraw/zinc/30/82/46/179308246.db2.gz VDVWPZNXWLKWMC-UHFFFAOYSA-N 0 0 246.226 1.730 10 5 BDBERN CNc1cc(C)c2nccnc2c1[N+](=O)[O-] ZINC000196700276 347994946 /nfs/dbraw/zinc/99/49/46/347994946.db2.gz YKUYLCZEINRHOB-UHFFFAOYSA-N 0 0 218.216 1.888 10 5 BDBERN C[C@@H](O)c1cc([N+](=O)[O-])c(N(C)C)s1 ZINC000159326343 350022548 /nfs/dbraw/zinc/02/25/48/350022548.db2.gz CZQYGZCWCGPRAI-RXMQYKEDSA-N 0 0 216.262 1.776 10 5 BDBERN COC(=O)c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC000044712885 350185760 /nfs/dbraw/zinc/18/57/60/350185760.db2.gz LVGSNWFNRJKRDC-UHFFFAOYSA-N 0 0 221.172 1.258 10 5 BDBERN Cc1nn(CC2CCOCC2)c(N)c1[N+](=O)[O-] ZINC000052178681 180386039 /nfs/dbraw/zinc/38/60/39/180386039.db2.gz HSGZHYDPJIAKKC-UHFFFAOYSA-N 0 0 240.263 1.109 10 5 BDBERN Cc1nn(CCc2ccccc2)c(N)c1[N+](=O)[O-] ZINC000043670328 180388800 /nfs/dbraw/zinc/38/88/00/180388800.db2.gz XTEIVSUGQGRJLF-UHFFFAOYSA-N 0 0 246.270 1.925 10 5 BDBERN C[C@@H]1C[C@@H]1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000076077957 362968548 /nfs/dbraw/zinc/96/85/48/362968548.db2.gz WKHKPEDCEVBRAI-KCJUWKMLSA-N 0 0 249.270 1.802 10 5 BDBERN Nc1cncc(Br)c1[N+](=O)[O-] ZINC000306905403 351319732 /nfs/dbraw/zinc/31/97/32/351319732.db2.gz WXQZIALAUGOJSX-UHFFFAOYSA-N 0 0 218.010 1.335 10 5 BDBERN O=[N+]([O-])c1nc[nH]c1NCc1ccccc1 ZINC000307190011 351590013 /nfs/dbraw/zinc/59/00/13/351590013.db2.gz ZADSLLYZDOJSFG-UHFFFAOYSA-N 0 0 218.216 1.930 10 5 BDBERN Cc1c(N)c([N+](=O)[O-])cc([N+](=O)[O-])c1F ZINC000044185469 352202626 /nfs/dbraw/zinc/20/26/26/352202626.db2.gz RQUKGIGRNQQDHK-UHFFFAOYSA-N 0 0 215.140 1.533 10 5 BDBERN O=[N+]([O-])c1ccnc(F)c1Br ZINC000307534222 352639867 /nfs/dbraw/zinc/63/98/67/352639867.db2.gz PLCJHGPBVOENDW-UHFFFAOYSA-N 0 0 220.985 1.891 10 5 BDBERN O=Cc1ccc([N+](=O)[O-])cc1OC1CC1 ZINC000095741419 188501357 /nfs/dbraw/zinc/50/13/57/188501357.db2.gz IQEOTDGDYJYVHS-UHFFFAOYSA-N 0 0 207.185 1.949 10 5 BDBERN COC(=O)c1cc([N+](=O)[O-])cc2nc[nH]c21 ZINC000201773891 356424517 /nfs/dbraw/zinc/42/45/17/356424517.db2.gz OOIYQEFCLQTDQL-UHFFFAOYSA-N 0 0 221.172 1.258 10 5 BDBERN CC(C)(O)CNc1cc(F)ccc1[N+](=O)[O-] ZINC000083466506 535313829 /nfs/dbraw/zinc/31/38/29/535313829.db2.gz UQCPRYSXYPKKKQ-UHFFFAOYSA-N 0 0 228.223 1.917 10 5 BDBERN c1cc2nc3cc4c(cc3nc2cn1)OCO4 ZINC000584612572 358275519 /nfs/dbraw/zinc/27/55/19/358275519.db2.gz CDAPAEFPXYPZLY-UHFFFAOYSA-N 0 0 225.207 1.907 10 5 BDBERN CCc1noc(Cn2ncc([N+](=O)[O-])c2C)n1 ZINC000584613668 358277948 /nfs/dbraw/zinc/27/79/48/358277948.db2.gz DLVYIQKEMDIDNG-UHFFFAOYSA-N 0 0 237.219 1.093 10 5 BDBERN O=[N+]([O-])c1cnn([C@H]2CC[C@@H](O)CC2)c1 ZINC000584601248 358258205 /nfs/dbraw/zinc/25/82/05/358258205.db2.gz FKRKATIGGFEWIP-OTSSQURYSA-N 0 0 211.221 1.267 10 5 BDBERN C[C@@H]1Oc2ccccc2[C@H](C[N+](=O)[O-])[C@H]1CO ZINC000584608409 358268997 /nfs/dbraw/zinc/26/89/97/358268997.db2.gz LWAZRERJBXYNCX-LSJOCFKGSA-N 0 0 237.255 1.436 10 5 BDBERN COc1cccc2c3nccnc3c(=O)[nH]c12 ZINC000584640329 358326111 /nfs/dbraw/zinc/32/61/11/358326111.db2.gz ONXPYPBQUWITRW-UHFFFAOYSA-N 0 0 227.223 1.892 10 5 BDBERN O=[N+]([O-])c1c(Cl)ncnc1NCCF ZINC000306545776 360414229 /nfs/dbraw/zinc/41/42/29/360414229.db2.gz WAMRNOHJAKDNGW-UHFFFAOYSA-N 0 0 220.591 1.420 10 5 BDBERN NC(=O)c1ccc2nc3ccccc3nc2c1 ZINC000096334666 181301872 /nfs/dbraw/zinc/30/18/72/181301872.db2.gz HBUAKGFNHSQHSX-UHFFFAOYSA-N 0 0 223.235 1.882 10 5 BDBERN COC(=O)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000039437606 360631279 /nfs/dbraw/zinc/63/12/79/360631279.db2.gz KOBQBYWAUJJPSF-UHFFFAOYSA-N 0 0 229.619 1.964 10 5 BDBERN C=CC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000036334724 360925925 /nfs/dbraw/zinc/92/59/25/360925925.db2.gz UKCONODVTBJGNG-UHFFFAOYSA-N 0 0 210.164 1.858 10 5 BDBERN NC(=S)c1ccc(F)cc1[N+](=O)[O-] ZINC000039115540 181321019 /nfs/dbraw/zinc/32/10/19/181321019.db2.gz HWVNJLRTFWERCD-UHFFFAOYSA-N 0 0 200.194 1.368 10 5 BDBERN C[C@@H]([C@@H](O)c1ccccc1[N+](=O)[O-])[N+](=O)[O-] ZINC000036456760 361149335 /nfs/dbraw/zinc/14/93/35/361149335.db2.gz CXGZYCVDPAEDKI-IMTBSYHQSA-N 0 0 226.188 1.293 10 5 BDBERN Nc1ccnc([N+](=O)[O-])c1OC(F)(F)F ZINC000238658943 361171323 /nfs/dbraw/zinc/17/13/23/361171323.db2.gz JLBXITVBZSXWKO-UHFFFAOYSA-N 0 0 223.110 1.471 10 5 BDBERN C=CC(=O)Nc1ccc(O)cc1[N+](=O)[O-] ZINC000036999779 361592137 /nfs/dbraw/zinc/59/21/37/361592137.db2.gz PJQDKBOWLCPLOP-UHFFFAOYSA-N 0 0 208.173 1.425 10 5 BDBERN C[S@@](=O)c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000140477210 368346210 /nfs/dbraw/zinc/34/62/10/368346210.db2.gz AEAJFTVRQRHWGF-HNNXBMFYSA-N 0 0 242.281 1.942 10 5 BDBERN O=[N+]([O-])c1ccc(OCCO)c(OC(F)F)c1 ZINC000223760882 368364752 /nfs/dbraw/zinc/36/47/52/368364752.db2.gz CZKIPTPWFUJCIN-UHFFFAOYSA-N 0 0 249.169 1.567 10 5 BDBERN COc1ccc(C2=C[NH+]=C[N+]2([O-])[O-])cc1 ZINC000231370921 368403644 /nfs/dbraw/zinc/40/36/44/368403644.db2.gz FISXTHZZPYFTKI-UHFFFAOYSA-N 0 0 206.201 1.739 10 5 BDBERN O=[N+]([O-])c1ccc2c(c1[N+](=O)[O-])NCCC2 ZINC000004718384 368954811 /nfs/dbraw/zinc/95/48/11/368954811.db2.gz INTZXYDLPPBLFV-UHFFFAOYSA-N 0 0 223.188 1.861 10 5 BDBERN Nc1c([N+](=O)[O-])cnn1Cc1ccco1 ZINC000043669454 181672177 /nfs/dbraw/zinc/67/21/77/181672177.db2.gz IPBVOHDCDMGTDU-UHFFFAOYSA-N 0 0 208.177 1.015 10 5 BDBERN Cc1c(C(=O)N2CC=CCN2)cccc1[N+](=O)[O-] ZINC000600137739 371644481 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560187068 /nfs/dbraw/zinc/18/70/68/560187068.db2.gz KONVLHWTMAMGAA-UHFFFAOYSA-N 0 0 213.149 1.613 10 5 in-vitro BDBERN Cc1c2c(c(Cl)cc1[N+](=O)[O-])NC(=O)C2=O ZINC000757191767 582556435 /nfs/dbraw/zinc/55/64/35/582556435.db2.gz UNKYONAFMPMJLA-UHFFFAOYSA-N 0 0 240.602 1.691 10 5 BDBERN