smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC1CN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169013062 969340241 /nfs/dbraw/zinc/34/02/41/969340241.db2.gz TVWXHKOCWPRHPS-ZJUUUORDSA-N 0 1 228.292 1.153 20 5 BDBDMN O=[N+]([O-])c1nc[nH]c1-c1nnc(C2CC2)o1 ZINC001254102023 969496105 /nfs/dbraw/zinc/49/61/05/969496105.db2.gz CWZOZQDKXSAHQI-UHFFFAOYSA-N 0 1 221.176 1.245 20 5 BDBDMN CC(C)Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-] ZINC001228605296 976377302 /nfs/dbraw/zinc/37/73/02/976377302.db2.gz DBDDEYLBZFFHHU-UHFFFAOYSA-N 0 1 239.231 1.755 20 5 BDBDMN Cc1cc(CNc2ncc([N+](=O)[O-])c(C)n2)n[nH]1 ZINC001324716750 972007718 /nfs/dbraw/zinc/00/77/18/972007718.db2.gz OQAFEBPEJKCWFS-UHFFFAOYSA-N 0 1 248.246 1.337 20 5 BDBDMN Nc1cncn1-c1ccccc1[N+](=O)[O-] ZINC001206150186 968087310 /nfs/dbraw/zinc/08/73/10/968087310.db2.gz HIYMJDXUEHORMP-UHFFFAOYSA-N 0 1 204.189 1.363 20 5 BDBDMN O=[N+]([O-])C[C@@H]1CC[C@H](N2Cc3cncnc3C2)C1 ZINC001169008693 969335033 /nfs/dbraw/zinc/33/50/33/969335033.db2.gz UBLFMQUYRYJNTI-KOLCDFICSA-N 0 1 248.286 1.238 20 5 BDBDMN Cn1cc([C@H](NCC[N+](=O)[O-])C(C)(C)C)cn1 ZINC001332725683 975273175 /nfs/dbraw/zinc/27/31/75/975273175.db2.gz BDUSMODVZRBFSG-JTQLQIEISA-N 0 1 240.307 1.374 20 5 BDBDMN COCC[N@@H+](CC[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC001332980985 975353997 /nfs/dbraw/zinc/35/39/97/975353997.db2.gz OVESKXKKTZVXSH-WDEREUQCSA-N 0 1 230.308 1.400 20 5 BDBDMN CC(C)Cc1nnc([C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001333104965 975426931 /nfs/dbraw/zinc/42/69/31/975426931.db2.gz HAGCPMKQARWVGV-RNFRBKRXSA-N 0 1 211.221 1.401 20 5 BDBDMN CN1CCC[C@H](Oc2cncc([N+](=O)[O-])c2)C1 ZINC001227988142 975834227 /nfs/dbraw/zinc/83/42/27/975834227.db2.gz PFTKNMLCVROVSD-JTQLQIEISA-N 0 1 237.259 1.463 20 5 BDBDMN C[C@H](C[NH+](C)C)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229395147 976857448 /nfs/dbraw/zinc/85/74/48/976857448.db2.gz FOBHEQDBBAYXSX-MRVPVSSYSA-N 0 1 240.259 1.629 20 5 BDBDMN O=[N+]([O-])c1cc2cn[nH]c2cc1OC[C@H]1CCO1 ZINC001230596042 977267156 /nfs/dbraw/zinc/26/71/56/977267156.db2.gz OLODGDCEIHKYTN-MRVPVSSYSA-N 0 1 249.226 1.639 20 5 BDBDMN Cc1cc(CNCc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000716460747 979831422 /nfs/dbraw/zinc/83/14/22/979831422.db2.gz VWYFMXOHOOIUHK-UHFFFAOYSA-N 0 1 246.270 1.916 20 5 BDBDMN CC(C)N1CCC[C@@H]1C(=O)OCCC[N+](=O)[O-] ZINC001345667445 980667327 /nfs/dbraw/zinc/66/73/27/980667327.db2.gz JUHFXZGMPOVTPD-SNVBAGLBSA-N 0 1 244.291 1.069 20 5 BDBDMN O=[N+]([O-])c1ccccc1CCNCc1cc[nH]n1 ZINC001202228689 983591586 /nfs/dbraw/zinc/59/15/86/983591586.db2.gz WCAQKYKPKRPFTK-UHFFFAOYSA-N 0 1 246.270 1.650 20 5 BDBDMN CN(C#N)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001435963790 984311613 /nfs/dbraw/zinc/31/16/13/984311613.db2.gz RKQSHXVCXSPUSV-UHFFFAOYSA-N 0 1 245.198 1.024 20 5 BDBDMN O=C(NCCCC(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC001471761185 987116056 /nfs/dbraw/zinc/11/60/56/987116056.db2.gz ZFXTZVLBZSFIER-UHFFFAOYSA-N 0 1 248.189 1.093 20 5 BDBDMN C[C@H]1CCC(F)(F)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001120741245 989861356 /nfs/dbraw/zinc/86/13/56/989861356.db2.gz JYQPFXKEZNLUGK-XLPZGREQSA-N 0 1 248.229 1.298 20 5 BDBDMN CC[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCC1 ZINC001123124195 990517839 /nfs/dbraw/zinc/51/78/39/990517839.db2.gz FQTMUJPVZNAPSS-OPRDCNLKSA-N 0 1 227.260 1.774 20 5 BDBDMN C[C@H](NCC[N+](=O)[O-])c1cccs1 ZINC001559755372 991244161 /nfs/dbraw/zinc/24/41/61/991244161.db2.gz ZDTZYOLXHIQJEC-ZETCQYMHSA-N 0 1 200.263 1.675 20 5 BDBDMN C[C@H](C(=O)[O-])[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001319275800 991832136 /nfs/dbraw/zinc/83/21/36/991832136.db2.gz VANJYNQSHJWXQE-SSDOTTSWSA-N 0 1 236.227 1.384 20 5 BDBDMN C[C@H](C(=O)[O-])[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001319275800 991832140 /nfs/dbraw/zinc/83/21/40/991832140.db2.gz VANJYNQSHJWXQE-SSDOTTSWSA-N 0 1 236.227 1.384 20 5 BDBDMN Cc1cccc(-c2nnc([C@@H]3C[C@H]3[N+](=O)[O-])o2)n1 ZINC001261575038 992395596 /nfs/dbraw/zinc/39/55/96/992395596.db2.gz SNDYRPYEYFZLJG-VXNVDRBHSA-N 0 1 246.226 1.573 20 5 BDBDMN O=[N+]([O-])CCN1CCC(Nc2ccccc2)CC1 ZINC001262233308 992814403 /nfs/dbraw/zinc/81/44/03/992814403.db2.gz BCSDHJMGODTFFW-UHFFFAOYSA-N 0 1 249.314 1.840 20 5 BDBDMN Cc1cc(NCCc2nc[nH]n2)ccc1[N+](=O)[O-] ZINC000080589715 178163807 /nfs/dbraw/zinc/16/38/07/178163807.db2.gz NADULJLPSJENJZ-UHFFFAOYSA-N 0 1 247.258 1.676 20 5 BDBDMN Cc1cc([N+](=O)[O-])ccc1N(C)Cc1nnc[nH]1 ZINC000267900336 178271221 /nfs/dbraw/zinc/27/12/21/178271221.db2.gz FBNFARNHHASMAT-UHFFFAOYSA-N 0 1 247.258 1.658 20 5 BDBDMN COCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC000046783870 343550168 /nfs/dbraw/zinc/55/01/68/343550168.db2.gz XJWYQYPPZWXECY-UHFFFAOYSA-N 0 1 224.260 1.673 20 5 BDBDMN Cc1[nH]nc(C(=O)N(C)C(C)(C)C)c1[N+](=O)[O-] ZINC000584293836 344427183 /nfs/dbraw/zinc/42/71/83/344427183.db2.gz UEEVDIVNBKDOII-UHFFFAOYSA-N 0 1 240.263 1.497 20 5 BDBDMN O=[N+]([O-])c1cnn(CCN2CC=CCC2)c1 ZINC000611517498 344749637 /nfs/dbraw/zinc/74/96/37/344749637.db2.gz JFDXCHOAPPCJMP-UHFFFAOYSA-N 0 1 222.248 1.053 20 5 BDBDMN O=[N+]([O-])c1cccc(CNC/C=C\CO)c1 ZINC000594974568 348162746 /nfs/dbraw/zinc/16/27/46/348162746.db2.gz MDSSKKPZAJQRBG-UPHRSURJSA-N 0 1 222.244 1.233 20 5 BDBDMN Cc1nc([C@H](C)Nc2ccncc2[N+](=O)[O-])n[nH]1 ZINC000340875084 180049005 /nfs/dbraw/zinc/04/90/05/180049005.db2.gz LIHJNRCTMZJOBF-LURJTMIESA-N 0 1 248.246 1.011 20 5 BDBDMN C[C@H](Nc1cccnc1[N+](=O)[O-])c1nnc[nH]1 ZINC000226500841 371684913 /nfs/dbraw/zinc/68/49/13/371684913.db2.gz MLEFCBYVTILULQ-LURJTMIESA-N 0 1 234.219 1.281 20 5 BDBDMN C[C@@H](Nc1cccnc1[N+](=O)[O-])c1nnc[nH]1 ZINC000226500833 371685063 /nfs/dbraw/zinc/68/50/63/371685063.db2.gz MLEFCBYVTILULQ-ZCFIWIBFSA-N 0 1 234.219 1.281 20 5 BDBDMN Cc1c(CN2C[C@H]3C[C@@]3(O)C2)cccc1[N+](=O)[O-] ZINC000603092155 371867795 /nfs/dbraw/zinc/86/77/95/371867795.db2.gz TTWBEBWMMYBIKH-DGCLKSJQSA-N 0 1 248.282 1.470 20 5 BDBDMN Cc1[nH]ncc1CNc1ncc([N+](=O)[O-])s1 ZINC000226770305 384077610 /nfs/dbraw/zinc/07/76/10/384077610.db2.gz TZDSNCUEKVHODF-UHFFFAOYSA-N 0 1 239.260 1.695 20 5 BDBDMN CCN(CCO)Cc1ccccc1[N+](=O)[O-] ZINC000049754375 384563853 /nfs/dbraw/zinc/56/38/53/384563853.db2.gz MVEXZHREBXQZII-UHFFFAOYSA-N 0 1 224.260 1.409 20 5 BDBDMN O=C([C@H]1CC1[N+](=O)[O-])N1C[C@H]2CCCC[C@H]21 ZINC000365809175 384614753 /nfs/dbraw/zinc/61/47/53/384614753.db2.gz XINCJSSHLMCUMN-UTINFBMNSA-N 0 1 224.260 1.053 20 5 BDBDMN CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])C1CC1 ZINC000264249758 384857757 /nfs/dbraw/zinc/85/77/57/384857757.db2.gz GSHOSBCLAPDMSI-UHFFFAOYSA-N 0 1 238.247 1.251 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](C2CC2)C1 ZINC000365614037 384977969 /nfs/dbraw/zinc/97/79/69/384977969.db2.gz DRWOARKSPCUFMG-AXFHLTTASA-N 0 1 238.287 1.300 20 5 BDBDMN Cc1nc(CCNc2ncccc2[N+](=O)[O-])n[nH]1 ZINC000267503125 386924943 /nfs/dbraw/zinc/92/49/43/386924943.db2.gz JMQOOPRVDRFBTH-UHFFFAOYSA-N 0 1 248.246 1.071 20 5 BDBDMN Cc1nnc(CCNc2ncccc2[N+](=O)[O-])[nH]1 ZINC000267503125 386924945 /nfs/dbraw/zinc/92/49/45/386924945.db2.gz JMQOOPRVDRFBTH-UHFFFAOYSA-N 0 1 248.246 1.071 20 5 BDBDMN CO[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000267616588 387024148 /nfs/dbraw/zinc/02/41/48/387024148.db2.gz CPBCIFPJYSDKCC-LBPRGKRZSA-N 0 1 236.271 1.816 20 5 BDBDMN CCN(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269310010 387269989 /nfs/dbraw/zinc/26/99/89/387269989.db2.gz YEGKWHXPAGDSNJ-UHFFFAOYSA-N 0 1 224.216 1.392 20 5 BDBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@@H](O)C1 ZINC000271050335 388371104 /nfs/dbraw/zinc/37/11/04/388371104.db2.gz VOYXZLJJQZSHPZ-OGOUPESXSA-N 0 1 248.282 1.675 20 5 BDBDMN CCN(CCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774360 388393388 /nfs/dbraw/zinc/39/33/88/388393388.db2.gz YLARDOVRAKIUBM-UHFFFAOYSA-N 0 1 242.250 1.548 20 5 BDBDMN Cc1ccc([N+](=O)[O-])c(N2CC(N(C)C)C2)n1 ZINC000271743518 388401229 /nfs/dbraw/zinc/40/12/29/388401229.db2.gz RUKBUYCHQYRFFN-UHFFFAOYSA-N 0 1 236.275 1.048 20 5 BDBDMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000054070162 411202579 /nfs/dbraw/zinc/20/25/79/411202579.db2.gz DXAAXLHQAQQVKC-MRVPVSSYSA-N 0 1 238.243 1.500 20 5 BDBDMN CC[C@@H]1CC[C@@H](C)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000855930682 583113042 /nfs/dbraw/zinc/11/30/42/583113042.db2.gz IUZVAPGSMSRTGZ-GWOFURMSSA-N 0 1 240.303 1.689 20 5 BDBDMN CC1(C)[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1(F)F ZINC000856069561 588859443 /nfs/dbraw/zinc/85/94/43/588859443.db2.gz SVBHSYQJBGHGFG-FSDSQADBSA-N 0 1 248.229 1.059 20 5 BDBDMN C[C@H]1CC[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000840674661 583429284 /nfs/dbraw/zinc/42/92/84/583429284.db2.gz OEIFMTLUEXIQDS-JQCXWYLXSA-N 0 1 213.233 1.383 20 5 BDBDMN CC1=NO[C@H](CNCc2cccc([N+](=O)[O-])c2)C1 ZINC000895312586 583648655 /nfs/dbraw/zinc/64/86/55/583648655.db2.gz YWGIIYRGWZINOU-LBPRGKRZSA-N 0 1 249.270 1.849 20 5 BDBDMN CN1CC[C@H]1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000895769350 583724027 /nfs/dbraw/zinc/72/40/27/583724027.db2.gz CAYWRUCNKAMXCB-VIFPVBQESA-N 0 1 236.275 1.293 20 5 BDBDMN Cc1nc2c(n1CC[N+](=O)[O-])CCCC2 ZINC000899890943 584245943 /nfs/dbraw/zinc/24/59/43/584245943.db2.gz KJFIRYIPZUHCCB-UHFFFAOYSA-N 0 1 209.249 1.347 20 5 BDBDMN CCCOCCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000730694722 584913831 /nfs/dbraw/zinc/91/38/31/584913831.db2.gz QKJFJBWRPDFSNL-UHFFFAOYSA-N 0 1 242.231 1.506 20 5 BDBDMN Cc1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839488703 585105470 /nfs/dbraw/zinc/10/54/70/585105470.db2.gz FVNANBAWLQJKNF-PSASIEDQSA-N 0 1 238.218 1.738 20 5 BDBDMN CC[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839525533 585105669 /nfs/dbraw/zinc/10/56/69/585105669.db2.gz ZUZAFVMHQQJBSF-IVZWLZJFSA-N 0 1 226.276 1.300 20 5 BDBDMN CC[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839524485 585105759 /nfs/dbraw/zinc/10/57/59/585105759.db2.gz HEGKEJBVVGLPSB-ZRUFSTJUSA-N 0 1 240.303 1.737 20 5 BDBDMN C[C@H]1CCC[C@@H](N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839511819 585105957 /nfs/dbraw/zinc/10/59/57/585105957.db2.gz DKAYLQIZKKFVMJ-LNFKQOIKSA-N 0 1 240.303 1.689 20 5 BDBDMN C[C@@H]1CCC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839572739 585330746 /nfs/dbraw/zinc/33/07/46/585330746.db2.gz JRQSRNQZIHVLQX-LMLFDSFASA-N 0 1 240.303 1.594 20 5 BDBDMN C[C@@H]1CCCC[C@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839578279 585330876 /nfs/dbraw/zinc/33/08/76/585330876.db2.gz YLMYYPOODKAIDA-LMLFDSFASA-N 0 1 240.303 1.594 20 5 BDBDMN Cc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1F ZINC000839649104 585333429 /nfs/dbraw/zinc/33/34/29/585333429.db2.gz DEZLGIPPXLHXEP-PSASIEDQSA-N 0 1 238.218 1.738 20 5 BDBDMN CC(C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839690401 585335146 /nfs/dbraw/zinc/33/51/46/585335146.db2.gz AKKLKVMFWZTJRW-GHMZBOCLSA-N 0 1 240.303 1.546 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]2CCC[C@H]21 ZINC000839692217 585335170 /nfs/dbraw/zinc/33/51/70/585335170.db2.gz JCZKMYMEARMYON-GWOFURMSSA-N 0 1 238.287 1.443 20 5 BDBDMN CC(C)(C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839688987 585335269 /nfs/dbraw/zinc/33/52/69/585335269.db2.gz UVVXXZGIUGRSRD-RKDXNWHRSA-N 0 1 228.292 1.594 20 5 BDBDMN CC1(C)CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839689596 585335402 /nfs/dbraw/zinc/33/54/02/585335402.db2.gz QLRRFHSNBDYKSE-NXEZZACHSA-N 0 1 240.303 1.737 20 5 BDBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C(C)(C)C1 ZINC000839695621 585335484 /nfs/dbraw/zinc/33/54/84/585335484.db2.gz JJFDFYASZFAZGW-DJLDLDEBSA-N 0 1 226.276 1.299 20 5 BDBDMN CC[C@H](C)C[C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839692588 585335743 /nfs/dbraw/zinc/33/57/43/585335743.db2.gz PFLKXUHBSFGRNX-SGIHWFKDSA-N 0 1 228.292 1.593 20 5 BDBDMN CCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC000839703426 585337519 /nfs/dbraw/zinc/33/75/19/585337519.db2.gz LQMZORBMIFTQDB-NXEZZACHSA-N 0 1 240.303 1.738 20 5 BDBDMN Cc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1O ZINC000839708101 585337777 /nfs/dbraw/zinc/33/77/77/585337777.db2.gz JMVWVLTYQWBVBV-RKDXNWHRSA-N 0 1 236.227 1.304 20 5 BDBDMN O=C(NC1CCC(F)(F)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839718314 585338327 /nfs/dbraw/zinc/33/83/27/585338327.db2.gz ZOEOUGDCCUBEDU-HTQZYQBOSA-N 0 1 248.229 1.346 20 5 BDBDMN O=C(NC[C@@H]1CCCCS1)[C@@H]1CC1[N+](=O)[O-] ZINC000839722022 585338695 /nfs/dbraw/zinc/33/86/95/585338695.db2.gz AGTPWEUUSWEFKM-DJLDLDEBSA-N 0 1 244.316 1.054 20 5 BDBDMN C[C@H]1CC[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839748469 585340294 /nfs/dbraw/zinc/34/02/94/585340294.db2.gz SKMDPTMKCFMVHG-SGIHWFKDSA-N 0 1 226.276 1.204 20 5 BDBDMN CCCC[C@@H](C)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839774258 585341148 /nfs/dbraw/zinc/34/11/48/585341148.db2.gz NJMPJQKZUGRBKH-OPRDCNLKSA-N 0 1 228.292 1.689 20 5 BDBDMN O=C(NC[C@H]1CCCC1(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000839783826 585341851 /nfs/dbraw/zinc/34/18/51/585341851.db2.gz VYJMWGWXUXVRQQ-BWZBUEFSSA-N 0 1 248.229 1.203 20 5 BDBDMN CCC(CC)N(CC)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840462666 587105818 /nfs/dbraw/zinc/10/58/18/587105818.db2.gz VPNUBPYGEDYCRE-NXEZZACHSA-N 0 1 228.292 1.689 20 5 BDBDMN O=C(O[C@@H]1CCC12CCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000821789718 587138326 /nfs/dbraw/zinc/13/83/26/587138326.db2.gz VKTATEWELOSAFF-IWSPIJDZSA-N 0 1 225.244 1.528 20 5 BDBDMN O=C(O[C@H]1CCC12CCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000821789717 587138377 /nfs/dbraw/zinc/13/83/77/587138377.db2.gz VKTATEWELOSAFF-HLTSFMKQSA-N 0 1 225.244 1.528 20 5 BDBDMN CCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC000840474914 587192740 /nfs/dbraw/zinc/19/27/40/587192740.db2.gz RYGADWUHYUCHQU-RKDXNWHRSA-N 0 1 226.276 1.491 20 5 BDBDMN CS[C@@H](C)COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000835679413 587812157 /nfs/dbraw/zinc/81/21/57/587812157.db2.gz JKAWEZVFKFCUFE-LURJTMIESA-N 0 1 244.272 1.831 20 5 BDBDMN Cc1nc(COC(=O)[C@@H]2CC2[N+](=O)[O-])cs1 ZINC000840672714 587915546 /nfs/dbraw/zinc/91/55/46/587915546.db2.gz LWYGLRWYWWMQHS-HTQZYQBOSA-N 0 1 242.256 1.160 20 5 BDBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000840672182 587915847 /nfs/dbraw/zinc/91/58/47/587915847.db2.gz DVQOFWKAHXGPNL-FBIMIBRVSA-N 0 1 235.239 1.956 20 5 BDBDMN CC(C)CCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673392 587916177 /nfs/dbraw/zinc/91/61/77/587916177.db2.gz NHOKRSHBCQEIQU-RKDXNWHRSA-N 0 1 215.249 1.631 20 5 BDBDMN C[C@H]1CCC(C)(C)N1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841253224 587949956 /nfs/dbraw/zinc/94/99/56/587949956.db2.gz NQDLUDQDCMHKHB-DJLDLDEBSA-N 0 1 226.276 1.441 20 5 BDBDMN CC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000841364112 587952535 /nfs/dbraw/zinc/95/25/35/587952535.db2.gz YJOSXPWQWKWNGY-UTINFBMNSA-N 0 1 240.303 1.593 20 5 BDBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000841366133 587952727 /nfs/dbraw/zinc/95/27/27/587952727.db2.gz XJULDQMAQNHMFA-SOYHJAILSA-N 0 1 226.276 1.155 20 5 BDBDMN Cc1cc(COC(=O)[C@@H]2CC2[N+](=O)[O-])co1 ZINC000842367153 588021713 /nfs/dbraw/zinc/02/17/13/588021713.db2.gz FZNZMBCOLUDXQK-RKDXNWHRSA-N 0 1 225.200 1.296 20 5 BDBDMN CSC[C@@H](C)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842368789 588021787 /nfs/dbraw/zinc/02/17/87/588021787.db2.gz BGKVXXZOWWESFP-XLPZGREQSA-N 0 1 233.289 1.194 20 5 BDBDMN CC[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(F)(F)F ZINC000842369154 588022052 /nfs/dbraw/zinc/02/20/52/588022052.db2.gz HQUYPDVBVCJYAN-HSUXUTPPSA-N 0 1 241.165 1.536 20 5 BDBDMN CN[C@@H](C)c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000848631243 588403197 /nfs/dbraw/zinc/40/31/97/588403197.db2.gz YLEUSRNQBGWJQS-YFKPBYRVSA-N 0 1 238.203 1.518 20 5 BDBDMN CC(C)[C@@H](C(=O)OCC(C)(C)[N+](=O)[O-])N(C)C ZINC000851128073 588592987 /nfs/dbraw/zinc/59/29/87/588592987.db2.gz HLNZGGWWGNTGSL-VIFPVBQESA-N 0 1 246.307 1.171 20 5 BDBDMN O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000862375283 589205611 /nfs/dbraw/zinc/20/56/11/589205611.db2.gz MKMIONDEDZWYKV-KAMPLNKDSA-N 0 1 238.287 1.204 20 5 BDBDMN CC1(F)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000871075605 589721366 /nfs/dbraw/zinc/72/13/66/589721366.db2.gz HOIHRNRBDLMXOZ-HTQZYQBOSA-N 0 1 230.239 1.002 20 5 BDBDMN Cn1cc(CN2CC[C@H](CF)C2)c([N+](=O)[O-])n1 ZINC000880301677 590998073 /nfs/dbraw/zinc/99/80/73/590998073.db2.gz WRCXCCRWEUWYMZ-MRVPVSSYSA-N 0 1 242.254 1.120 20 5 BDBDMN CN[C@@H](C)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000054053213 635340198 /nfs/dbraw/zinc/34/01/98/635340198.db2.gz GZDNOCWJJMZWLD-ZETCQYMHSA-N 0 1 248.242 1.925 20 5 BDBDMN O=[N+]([O-])CCNCCOc1cccc(Cl)c1 ZINC000905045320 637565003 /nfs/dbraw/zinc/56/50/03/637565003.db2.gz HXXPAEROWWGFCR-UHFFFAOYSA-N 0 1 244.678 1.585 20 5 BDBDMN CCc1ccccc1CNCC[N+](=O)[O-] ZINC000905133162 637644708 /nfs/dbraw/zinc/64/47/08/637644708.db2.gz PQTSEBVURJKCOS-UHFFFAOYSA-N 0 1 208.261 1.615 20 5 BDBDMN C[C@@H](O)c1ccc(CNCC[N+](=O)[O-])cc1 ZINC000905147164 637656025 /nfs/dbraw/zinc/65/60/25/637656025.db2.gz JKNOYRSDFNMBJA-SECBINFHSA-N 0 1 224.260 1.106 20 5 BDBDMN O=[N+]([O-])CCNCc1ccccc1-n1ccnc1 ZINC000905203791 637696415 /nfs/dbraw/zinc/69/64/15/637696415.db2.gz XOVCTVHDBRSDSQ-UHFFFAOYSA-N 0 1 246.270 1.239 20 5 BDBDMN CC[C@H](CC(F)(F)F)NCC[N+](=O)[O-] ZINC000905215196 637700208 /nfs/dbraw/zinc/70/02/08/637700208.db2.gz ZLXWZSDQGAROAN-ZCFIWIBFSA-N 0 1 214.187 1.584 20 5 BDBDMN Cc1cscc1CNCC[N+](=O)[O-] ZINC000905238638 637723977 /nfs/dbraw/zinc/72/39/77/637723977.db2.gz SZFCNBIFTWNWSL-UHFFFAOYSA-N 0 1 200.263 1.423 20 5 BDBDMN CO[C@@H](CNCC[N+](=O)[O-])Cc1ccccc1 ZINC000905271356 637730216 /nfs/dbraw/zinc/73/02/16/637730216.db2.gz BLIUADKUOADZKV-GFCCVEGCSA-N 0 1 238.287 1.110 20 5 BDBDMN C[C@@H]1Cc2cc(CNCC[N+](=O)[O-])ccc2O1 ZINC000905566429 637848510 /nfs/dbraw/zinc/84/85/10/637848510.db2.gz WCSRNCLJVHAZHF-SECBINFHSA-N 0 1 236.271 1.376 20 5 BDBDMN CCOC[C@H]1CCCCN1CC[N+](=O)[O-] ZINC000930696315 639864968 /nfs/dbraw/zinc/86/49/68/639864968.db2.gz FNRJBOPLUCRRBU-SNVBAGLBSA-N 0 1 216.281 1.154 20 5 BDBDMN O=[N+]([O-])CCN1CCSC[C@H]1C1CCC1 ZINC000930745155 639891765 /nfs/dbraw/zinc/89/17/65/639891765.db2.gz RNKRUELDGSOQHW-JTQLQIEISA-N 0 1 230.333 1.481 20 5 BDBDMN C[C@@H]1COC[C@H]1NCc1cccnc1[N+](=O)[O-] ZINC000932489765 640554881 /nfs/dbraw/zinc/55/48/81/640554881.db2.gz SEBMWZZIQQVCGO-PSASIEDQSA-N 0 1 237.259 1.114 20 5 BDBDMN C[C@@H](CN(C)CC[N+](=O)[O-])c1ccccc1 ZINC000929490604 641333440 /nfs/dbraw/zinc/33/34/40/641333440.db2.gz NZEYRDWENGQGPR-NSHDSACASA-N 0 1 222.288 1.999 20 5 BDBDMN CC(C)N(CC1CC1)Cn1cc([N+](=O)[O-])cn1 ZINC000915207946 641809763 /nfs/dbraw/zinc/80/97/63/641809763.db2.gz JLKWOYBIIPREKE-UHFFFAOYSA-N 0 1 238.291 1.869 20 5 BDBDMN C[C@@H]1C[C@H]1COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000920335206 642479147 /nfs/dbraw/zinc/47/91/47/642479147.db2.gz LECKZTCAUSWPCE-RQJHMYQMSA-N 0 1 224.216 1.736 20 5 BDBDMN CC(C)(/C=C/Cl)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000928928377 645897779 /nfs/dbraw/zinc/89/77/79/645897779.db2.gz DRZVQRHWARYMHG-KYNVUQBWSA-N 0 1 232.667 1.299 20 5 BDBDMN Cc1ccc([C@H](C)NCC[N+](=O)[O-])cc1 ZINC000930189499 645917662 /nfs/dbraw/zinc/91/76/62/645917662.db2.gz WRGGWTLOUFEYBI-JTQLQIEISA-N 0 1 208.261 1.922 20 5 BDBDMN O=[N+]([O-])CCN1CCC(OC2CCCC2)CC1 ZINC000929430217 646117059 /nfs/dbraw/zinc/11/70/59/646117059.db2.gz YOYUPMIJDGFJIS-UHFFFAOYSA-N 0 1 242.319 1.687 20 5 BDBDMN CCO[C@@H]1C[C@@H](N(C)CC[N+](=O)[O-])C12CCC2 ZINC000929841785 646351853 /nfs/dbraw/zinc/35/18/53/646351853.db2.gz PHWIUSASHWFCTB-GHMZBOCLSA-N 0 1 242.319 1.543 20 5 BDBDMN CCO[C@@H]1C[C@H](N(C)CC[N+](=O)[O-])C12CCC2 ZINC000929841791 646354695 /nfs/dbraw/zinc/35/46/95/646354695.db2.gz PHWIUSASHWFCTB-WDEREUQCSA-N 0 1 242.319 1.543 20 5 BDBDMN O=[N+]([O-])CCN1CCC[C@@H]1c1ccc(O)cc1 ZINC000929891779 646368814 /nfs/dbraw/zinc/36/88/14/646368814.db2.gz RLVUSQNFAQVKSG-GFCCVEGCSA-N 0 1 236.271 1.806 20 5 BDBDMN CC(C)(C)C1=CCN(CC[N+](=O)[O-])CC1 ZINC000930103108 646435753 /nfs/dbraw/zinc/43/57/53/646435753.db2.gz SXWHFICJVOMOHS-UHFFFAOYSA-N 0 1 212.293 1.941 20 5 BDBDMN COc1ccc([C@@H](C)NCC[N+](=O)[O-])cc1 ZINC000930190563 646484469 /nfs/dbraw/zinc/48/44/69/646484469.db2.gz PBZZCSXBFATUTG-SECBINFHSA-N 0 1 224.260 1.623 20 5 BDBDMN C[C@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)(C)C ZINC000869538974 712623125 /nfs/dbraw/zinc/62/31/25/712623125.db2.gz UBPCLQIBLMRCKZ-IWSPIJDZSA-N 0 1 229.276 1.877 20 5 BDBDMN CCN1CC[C@@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000712596167 712436176 /nfs/dbraw/zinc/43/61/76/712436176.db2.gz UJSDJODLEPFTRT-SECBINFHSA-N 0 1 236.275 1.496 20 5 BDBDMN C[C@@H]1COCCN1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169007700 969333180 /nfs/dbraw/zinc/33/31/80/969333180.db2.gz PMCPJQUYMZNWBZ-MXWKQRLJSA-N 0 1 228.292 1.153 20 5 BDBDMN O=C([O-])CC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001253236063 969118755 /nfs/dbraw/zinc/11/87/55/969118755.db2.gz FOJFRXXLAOVGHU-UHFFFAOYSA-N 0 1 236.227 1.385 20 5 BDBDMN O=C([O-])CC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001253236063 969118762 /nfs/dbraw/zinc/11/87/62/969118762.db2.gz FOJFRXXLAOVGHU-UHFFFAOYSA-N 0 1 236.227 1.385 20 5 BDBDMN O=C1SCC[C@@H]1N[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168968748 969320548 /nfs/dbraw/zinc/32/05/48/969320548.db2.gz AEVCAGPIEYCRMF-VGMNWLOBSA-N 0 1 244.316 1.054 20 5 BDBDMN CO[C@H]1CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1F ZINC001169006415 969328720 /nfs/dbraw/zinc/32/87/20/969328720.db2.gz HZWFFJUTNIFJHC-ZNSHCXBVSA-N 0 1 246.282 1.101 20 5 BDBDMN CO[C@H]1CN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1F ZINC001169006413 969330911 /nfs/dbraw/zinc/33/09/11/969330911.db2.gz HZWFFJUTNIFJHC-RCWTZXSCSA-N 0 1 246.282 1.101 20 5 BDBDMN O=[N+]([O-])[C@@H]1C[C@H]1c1nnc(Cc2ccccn2)o1 ZINC001327861248 972764045 /nfs/dbraw/zinc/76/40/45/972764045.db2.gz BDLWMEUEJOMVPX-RKDXNWHRSA-N 0 1 246.226 1.188 20 5 BDBDMN O=[N+]([O-])c1ccc(O)cc1OC[C@@H]1CCCO1 ZINC001225490778 974527449 /nfs/dbraw/zinc/52/74/49/974527449.db2.gz KIDCSTZQTDBPMR-VIFPVBQESA-N 0 1 239.227 1.858 20 5 BDBDMN O=[N+]([O-])C[C@H](Oc1n[nH]c2ncccc12)C1CC1 ZINC001226303094 974851768 /nfs/dbraw/zinc/85/17/68/974851768.db2.gz RNYQTPVSVMYSFA-VIFPVBQESA-N 0 1 248.242 1.392 20 5 BDBDMN Cc1cc([N+](=O)[O-])cnc1O[C@@H]1CCN(C)C1 ZINC001226761686 975064282 /nfs/dbraw/zinc/06/42/82/975064282.db2.gz KHWXVRVPMWJHLV-SNVBAGLBSA-N 0 1 237.259 1.381 20 5 BDBDMN Cc1nc(O[C@@H]2C=CCC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229383283 976850559 /nfs/dbraw/zinc/85/05/59/976850559.db2.gz ZGJVWXPITGYVMV-SSDOTTSWSA-N 0 1 237.215 1.496 20 5 BDBDMN CCC(CC)Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229383338 976850943 /nfs/dbraw/zinc/85/09/43/976850943.db2.gz ZQDARODRBOIGFR-UHFFFAOYSA-N 0 1 241.247 1.966 20 5 BDBDMN Cc1cc(O)c([N+](=O)[O-])c(OC[C@@H]2CCO2)n1 ZINC001231260738 977549567 /nfs/dbraw/zinc/54/95/67/977549567.db2.gz WDEZMUJCSYTBQD-ZETCQYMHSA-N 0 1 240.215 1.172 20 5 BDBDMN O=[N+]([O-])c1cc(O[C@@H]2CN3CCC2CC3)ccn1 ZINC001233858683 978714894 /nfs/dbraw/zinc/71/48/94/978714894.db2.gz ZBGFPLWCNGPCKK-LLVKDONJSA-N 0 1 249.270 1.463 20 5 BDBDMN C[C@@H](NCC[N+](=O)[O-])c1ccc(F)cc1 ZINC001346149544 980768906 /nfs/dbraw/zinc/76/89/06/980768906.db2.gz BBDRBAGOCHWDGN-MRVPVSSYSA-N 0 1 212.224 1.753 20 5 BDBDMN Nc1cncn1-c1cc(O)cc([N+](=O)[O-])c1 ZINC001199815070 983023315 /nfs/dbraw/zinc/02/33/15/983023315.db2.gz SJJSDHCUSWRNKR-UHFFFAOYSA-N 0 1 220.188 1.068 20 5 BDBDMN Cc1ncc([N+](=O)[O-])cc1Nc1ccncc1 ZINC001248747058 989141678 /nfs/dbraw/zinc/14/16/78/989141678.db2.gz SNVSEKQXZBOONK-UHFFFAOYSA-N 0 1 230.227 1.859 20 5 BDBDMN Cc1ncn(-c2cc([N+](=O)[O-])cnc2C)c1N ZINC001249544161 989299387 /nfs/dbraw/zinc/29/93/87/989299387.db2.gz BDDAJTVIQUHXBT-UHFFFAOYSA-N 0 1 233.231 1.375 20 5 BDBDMN Cc1[nH]ncc1CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000161537182 398303385 /nfs/dbraw/zinc/30/33/85/398303385.db2.gz HJALGDKESWBIEB-UHFFFAOYSA-N 0 1 247.258 1.942 20 5 BDBDMN Cn1cc(CN2CCC(C)(C)C2)c([N+](=O)[O-])n1 ZINC000602469639 342925366 /nfs/dbraw/zinc/92/53/66/342925366.db2.gz UYHJFBICEMTPBO-UHFFFAOYSA-N 0 1 238.291 1.560 20 5 BDBDMN C[C@H](CO)NCc1csc([N+](=O)[O-])c1 ZINC000037472359 342935702 /nfs/dbraw/zinc/93/57/02/342935702.db2.gz VTNTYCRHHJXEAF-ZCFIWIBFSA-N 0 1 216.262 1.127 20 5 BDBDMN CC(C)=CCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000276726118 187340230 /nfs/dbraw/zinc/34/02/30/187340230.db2.gz UEOGQXZEXSJSJX-UHFFFAOYSA-N 0 1 238.247 1.404 20 5 BDBDMN Cc1cccc([N+](=O)[O-])c1N(C)Cc1nnc[nH]1 ZINC000267911442 179207049 /nfs/dbraw/zinc/20/70/49/179207049.db2.gz LYDMLUQVLATIHW-UHFFFAOYSA-N 0 1 247.258 1.658 20 5 BDBDMN Cc1noc(CNC2(C3CC3)CC2)c1[N+](=O)[O-] ZINC000595432254 348249283 /nfs/dbraw/zinc/24/92/83/348249283.db2.gz RSEZCYOVJFZRNO-UHFFFAOYSA-N 0 1 237.259 1.923 20 5 BDBDMN Cc1cc(NCc2nn[nH]n2)c([N+](=O)[O-])s1 ZINC000596120422 348454243 /nfs/dbraw/zinc/45/42/43/348454243.db2.gz FQRAKAKJUDXDBS-UHFFFAOYSA-N 0 1 240.248 1.090 20 5 BDBDMN CC[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C1CC1 ZINC000598232177 348915905 /nfs/dbraw/zinc/91/59/05/348915905.db2.gz FDMKQEGBXJCJFD-SSDOTTSWSA-N 0 1 238.247 1.236 20 5 BDBDMN CC1(C)C[C@]1(C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000598388472 348955574 /nfs/dbraw/zinc/95/55/74/348955574.db2.gz YEXWUIFDNWOHLR-JTQLQIEISA-N 0 1 238.247 1.236 20 5 BDBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](O)C1 ZINC000072632480 351328656 /nfs/dbraw/zinc/32/86/56/351328656.db2.gz OHIDJZQBIRLFKQ-ZJUUUORDSA-N 0 1 236.271 1.722 20 5 BDBDMN C[C@@H](CO)SCc1cc(O)ccc1[N+](=O)[O-] ZINC000436477092 201327555 /nfs/dbraw/zinc/32/75/55/201327555.db2.gz VLTUTOZEQAAECW-ZETCQYMHSA-N 0 1 243.284 1.914 20 5 BDBDMN C[C@@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])CO1 ZINC000401952631 369375078 /nfs/dbraw/zinc/37/50/78/369375078.db2.gz VVUCSGPXUWRNEQ-KOLCDFICSA-N 0 1 236.271 1.862 20 5 BDBDMN CC1CCN(Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602429140 371804262 /nfs/dbraw/zinc/80/42/62/371804262.db2.gz MDGXWXOFCYUBGC-UHFFFAOYSA-N 0 1 238.291 1.560 20 5 BDBDMN C[C@@H](C1CC1)N(C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602441995 371805004 /nfs/dbraw/zinc/80/50/04/371805004.db2.gz IGGLEHRWMGEYQM-QMMMGPOBSA-N 0 1 238.291 1.559 20 5 BDBDMN CCCN(CCC)Cc1c([N+](=O)[O-])ncn1C ZINC000355800237 169149691 /nfs/dbraw/zinc/14/96/91/169149691.db2.gz KIDXEYMTCCYLOK-UHFFFAOYSA-N 0 1 240.307 1.950 20 5 BDBDMN Cn1nccc1CNCc1cccc([N+](=O)[O-])c1 ZINC000047892337 384471183 /nfs/dbraw/zinc/47/11/83/384471183.db2.gz AXJJQKGERLQPJE-UHFFFAOYSA-N 0 1 246.270 1.618 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1C1CCC1 ZINC000361575275 385085850 /nfs/dbraw/zinc/08/58/50/385085850.db2.gz IFZPVDXXVHIAOQ-OUAUKWLOSA-N 0 1 238.287 1.443 20 5 BDBDMN Cc1[nH]nc(C(=O)N2C[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000294276546 385978522 /nfs/dbraw/zinc/97/85/22/385978522.db2.gz UFHIYYYIRYNZOE-FSPLSTOPSA-N 0 1 238.247 1.107 20 5 BDBDMN CC[C@H](CO)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000294029495 386312680 /nfs/dbraw/zinc/31/26/80/386312680.db2.gz ZRMSUSKBXZRCTJ-LLVKDONJSA-N 0 1 238.287 1.798 20 5 BDBDMN Cc1ccnc(NCCn2cc([N+](=O)[O-])cn2)c1 ZINC000269084938 386760349 /nfs/dbraw/zinc/76/03/49/386760349.db2.gz HGROMOMMWSDAGX-UHFFFAOYSA-N 0 1 247.258 1.607 20 5 BDBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCCC2(CCC2)C1 ZINC000369617234 387228656 /nfs/dbraw/zinc/22/86/56/387228656.db2.gz ZDCKHHPVVXCJNU-VHSXEESVSA-N 0 1 238.287 1.444 20 5 BDBDMN CCc1[nH]nc(C(=O)N2CCCC2)c1[N+](=O)[O-] ZINC000171397061 388124698 /nfs/dbraw/zinc/12/46/98/388124698.db2.gz BTXLVDLMQDLWCG-UHFFFAOYSA-N 0 1 238.247 1.116 20 5 BDBDMN O=[N+]([O-])c1ccc(=NOC[C@@H]2CCOC2)[nH]c1 ZINC000302787399 388344895 /nfs/dbraw/zinc/34/48/95/388344895.db2.gz WUQRGPIRYCXYDJ-MRVPVSSYSA-N 0 1 239.231 1.370 20 5 BDBDMN Cc1ccc([N+](=O)[O-])c(N[C@H](C)c2nnc[nH]2)n1 ZINC000226499962 388351616 /nfs/dbraw/zinc/35/16/16/388351616.db2.gz PMZICEGAZQPDJV-SSDOTTSWSA-N 0 1 248.246 1.589 20 5 BDBDMN O=[N+]([O-])c1ccc(CN2C[C@@H](O)C3(CC3)C2)cc1 ZINC000375307500 388717904 /nfs/dbraw/zinc/71/79/04/388717904.db2.gz GXWIBQYOEGGDPC-GFCCVEGCSA-N 0 1 248.282 1.552 20 5 BDBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCOCC1 ZINC000331187716 388765104 /nfs/dbraw/zinc/76/51/04/388765104.db2.gz ODAKPHYURGUFQH-UHFFFAOYSA-N 0 1 238.243 1.133 20 5 BDBDMN CCOCCNCc1csc([N+](=O)[O-])c1 ZINC000037472369 388869281 /nfs/dbraw/zinc/86/92/81/388869281.db2.gz CJYFNZGHQQPVRZ-UHFFFAOYSA-N 0 1 230.289 1.782 20 5 BDBDMN CCC(C)(C)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000192227768 168281348 /nfs/dbraw/zinc/28/13/48/168281348.db2.gz RMTCIOZFMACQDH-UHFFFAOYSA-N 0 1 240.263 1.484 20 5 BDBDMN CC[C@@H]1CCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000294079825 171022967 /nfs/dbraw/zinc/02/29/67/171022967.db2.gz QTHSNFINKZSTAJ-SSDOTTSWSA-N 0 1 238.247 1.251 20 5 BDBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(C)CC1 ZINC000066404927 176018847 /nfs/dbraw/zinc/01/88/47/176018847.db2.gz KUUIMCNLXAAFOO-NSHDSACASA-N 0 1 249.314 1.903 20 5 BDBDMN C[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CCN1 ZINC000088059102 176262845 /nfs/dbraw/zinc/26/28/45/176262845.db2.gz BAXIFVICKXFZGI-SECBINFHSA-N 0 1 249.270 1.029 20 5 BDBDMN C[C@H](O)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000051821341 488049410 /nfs/dbraw/zinc/04/94/10/488049410.db2.gz XBTPHQRWTFPAQM-VIFPVBQESA-N 0 1 224.260 1.407 20 5 BDBDMN CC1(C)[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1(F)F ZINC000856069562 588859402 /nfs/dbraw/zinc/85/94/02/588859402.db2.gz SVBHSYQJBGHGFG-QYNIQEEDSA-N 0 1 248.229 1.059 20 5 BDBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccncc1 ZINC000840671243 583406799 /nfs/dbraw/zinc/40/67/99/583406799.db2.gz RMTLHHNVGOPWNH-SZEHBUNVSA-N 0 1 236.227 1.351 20 5 BDBDMN O=C(OC/C(Cl)=C\Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000840670981 583407086 /nfs/dbraw/zinc/40/70/86/583407086.db2.gz OLGDFYAGRALIFX-IKMTZGNOSA-N 0 1 240.042 1.514 20 5 BDBDMN O=[N+]([O-])c1ccccc1CNC[C@@H]1COCO1 ZINC000894870194 583539796 /nfs/dbraw/zinc/53/97/96/583539796.db2.gz JDNGIJHSSPVXRO-SNVBAGLBSA-N 0 1 238.243 1.057 20 5 BDBDMN O=C(NC1(C2CC2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000895357824 583657969 /nfs/dbraw/zinc/65/79/69/583657969.db2.gz PZUWPMHPKFBLAC-RKDXNWHRSA-N 0 1 224.260 1.101 20 5 BDBDMN C[C@@H]1CCCC[C@@H]1OCCNCC[N+](=O)[O-] ZINC000899871909 584244520 /nfs/dbraw/zinc/24/45/20/584244520.db2.gz VIJJCUKQKKTZSA-MNOVXSKESA-N 0 1 230.308 1.448 20 5 BDBDMN O=[N+]([O-])CCNCc1ccc2occc2c1 ZINC000899892807 584248695 /nfs/dbraw/zinc/24/86/95/584248695.db2.gz YOGUWASFACJFRB-UHFFFAOYSA-N 0 1 220.228 1.799 20 5 BDBDMN O=[N+]([O-])c1ccccc1/C=C\CN[C@H]1CNOC1 ZINC000904426743 584881533 /nfs/dbraw/zinc/88/15/33/584881533.db2.gz HBGLUAOMZWXCQY-MZBZXASESA-N 0 1 249.270 1.101 20 5 BDBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000837340169 584937966 /nfs/dbraw/zinc/93/79/66/584937966.db2.gz CFWQIIGCTSABCO-UHFFFAOYSA-N 0 1 237.211 1.754 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1c1ccc[nH]1 ZINC000839524836 585105879 /nfs/dbraw/zinc/10/58/79/585105879.db2.gz PGLBJUJCVNZZJD-DVVUODLYSA-N 0 1 249.270 1.343 20 5 BDBDMN O=[N+]([O-])c1cnc2c(c1)CN(CCF)CC2 ZINC000754217478 585280705 /nfs/dbraw/zinc/28/07/05/585280705.db2.gz WVFROCDSWGMYRA-UHFFFAOYSA-N 0 1 225.223 1.317 20 5 BDBDMN C[C@@H](c1cccnc1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839548178 585330448 /nfs/dbraw/zinc/33/04/48/585330448.db2.gz NKYSIYYPFAXLSE-JMJZKYOTSA-N 0 1 249.270 1.266 20 5 BDBDMN C[C@H]1CCC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839572743 585330579 /nfs/dbraw/zinc/33/05/79/585330579.db2.gz JRQSRNQZIHVLQX-UKKRHICBSA-N 0 1 240.303 1.594 20 5 BDBDMN CCCN(CC(F)F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839610284 585333066 /nfs/dbraw/zinc/33/30/66/585333066.db2.gz LYWDVQXVBREXSM-RNFRBKRXSA-N 0 1 236.218 1.155 20 5 BDBDMN CC[C@H](C)C[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839692580 585335517 /nfs/dbraw/zinc/33/55/17/585335517.db2.gz PFLKXUHBSFGRNX-AXTSPUMRSA-N 0 1 228.292 1.593 20 5 BDBDMN O=C(NCCCC(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000839693951 585335616 /nfs/dbraw/zinc/33/56/16/585335616.db2.gz IGZCVWPPKHZBGQ-PHDIDXHHSA-N 0 1 240.181 1.110 20 5 BDBDMN C[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H]1C ZINC000839718878 585338329 /nfs/dbraw/zinc/33/83/29/585338329.db2.gz SQISJTMNXJHBAF-ZYUZMQFOSA-N 0 1 226.276 1.156 20 5 BDBDMN Cc1cscc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839745886 585340177 /nfs/dbraw/zinc/34/01/77/585340177.db2.gz QNYUNDVBOPLQDO-RKDXNWHRSA-N 0 1 240.284 1.338 20 5 BDBDMN CSC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC000839748259 585340392 /nfs/dbraw/zinc/34/03/92/585340392.db2.gz YOXLLUYFIBUOKU-HTQZYQBOSA-N 0 1 244.316 1.054 20 5 BDBDMN CC[C@H]1CCC[C@@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839783495 585342004 /nfs/dbraw/zinc/34/20/04/585342004.db2.gz ILUNKNFRFLWYQI-LNFKQOIKSA-N 0 1 240.303 1.594 20 5 BDBDMN CO[C@@H](C)COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000770689840 585579998 /nfs/dbraw/zinc/57/99/98/585579998.db2.gz AULYATZIAAKBCJ-LURJTMIESA-N 0 1 228.204 1.115 20 5 BDBDMN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC2)cc1 ZINC000776582005 585701389 /nfs/dbraw/zinc/70/13/89/585701389.db2.gz LKQWIDMNQPICBL-NSHDSACASA-N 0 1 222.244 1.334 20 5 BDBDMN O=C(O[C@@H]1C=CCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000780552397 585780662 /nfs/dbraw/zinc/78/06/62/585780662.db2.gz VTZXGMJGBKHUMH-SSDOTTSWSA-N 0 1 222.200 1.798 20 5 BDBDMN C[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)C(F)F ZINC000786523905 585894342 /nfs/dbraw/zinc/89/43/42/585894342.db2.gz NEMREIUEAAXTPW-BYPYZUCNSA-N 0 1 234.158 1.733 20 5 BDBDMN C[C@H]1CCCC[C@]1(C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840475083 587193403 /nfs/dbraw/zinc/19/34/03/587193403.db2.gz SMTKFRGOYUCMSW-XNDJQWLSSA-N 0 1 240.303 1.737 20 5 BDBDMN O=C(OCCC[C@H]1CCOC1)[C@@H]1CC1[N+](=O)[O-] ZINC000829278633 587490745 /nfs/dbraw/zinc/49/07/45/587490745.db2.gz NBBAKSJWTBWLJL-IVZWLZJFSA-N 0 1 243.259 1.012 20 5 BDBDMN O=C(NCCC[C@@H]1C=CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000834317847 587751626 /nfs/dbraw/zinc/75/16/26/587751626.db2.gz RXLNMLOTBUHUJY-GMTAPVOTSA-N 0 1 238.287 1.514 20 5 BDBDMN Cc1ccoc1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841245176 587950195 /nfs/dbraw/zinc/95/01/95/587950195.db2.gz VMDFCVUFONWXHP-HTQZYQBOSA-N 0 1 225.200 1.296 20 5 BDBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCC1 ZINC000842316891 588016629 /nfs/dbraw/zinc/01/66/29/588016629.db2.gz YORCDHHPMAJXQB-NBEYISGCSA-N 0 1 213.233 1.383 20 5 BDBDMN CC[C@@H]1C[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000842329863 588018572 /nfs/dbraw/zinc/01/85/72/588018572.db2.gz JKJKDOOLIMWYJT-UTINFBMNSA-N 0 1 243.259 1.152 20 5 BDBDMN O=C(OC[C@@H]1CCCCS1)[C@@H]1CC1[N+](=O)[O-] ZINC000842354385 588020959 /nfs/dbraw/zinc/02/09/59/588020959.db2.gz NGOLLYCMEHJBNW-DJLDLDEBSA-N 0 1 245.300 1.481 20 5 BDBDMN O=C(OC1CC2(CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000842373275 588022731 /nfs/dbraw/zinc/02/27/31/588022731.db2.gz VVKBOQMLXJFMCS-HTQZYQBOSA-N 0 1 211.217 1.137 20 5 BDBDMN CSCC(C)(C)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000851170321 588595843 /nfs/dbraw/zinc/59/58/43/588595843.db2.gz RQGUSPJHQWGDNF-HTQZYQBOSA-N 0 1 247.316 1.584 20 5 BDBDMN C[C@@]1(COC(=O)[C@@H]2CC2[N+](=O)[O-])CC1(F)F ZINC000851255573 588597926 /nfs/dbraw/zinc/59/79/26/588597926.db2.gz KERRJXRHQUCTGX-JKMUOGBPSA-N 0 1 235.186 1.240 20 5 BDBDMN C[C@]12CCCC[C@H]1CN2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000863590326 589303301 /nfs/dbraw/zinc/30/33/01/589303301.db2.gz IWNNBMAGMACTEU-XNDJQWLSSA-N 0 1 238.287 1.443 20 5 BDBDMN C[C@H](CC1CCC1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000871091368 589723167 /nfs/dbraw/zinc/72/31/67/589723167.db2.gz UCKMOSOCXICWCC-SZEHBUNVSA-N 0 1 226.276 1.347 20 5 BDBDMN CC1(C)C[C@]1(C)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000881544529 591237146 /nfs/dbraw/zinc/23/71/46/591237146.db2.gz CBPNSQBKSZUWQO-SOCHQFKDSA-N 0 1 226.276 1.204 20 5 BDBDMN COCC(C)(C)NCc1cccnc1[N+](=O)[O-] ZINC000885983656 592121169 /nfs/dbraw/zinc/12/11/69/592121169.db2.gz LTDJEFIWRFUUIS-UHFFFAOYSA-N 0 1 239.275 1.504 20 5 BDBDMN C[C@H](Cc1cccc(F)c1)N(C)CC[N+](=O)[O-] ZINC000930702128 634050901 /nfs/dbraw/zinc/05/09/01/634050901.db2.gz JYISCSNCCDZHJG-SNVBAGLBSA-N 0 1 240.278 1.965 20 5 BDBDMN O=[N+]([O-])CCN[C@@H]1CCCOc2ccccc21 ZINC000905079509 637579833 /nfs/dbraw/zinc/57/98/33/637579833.db2.gz JRTVUBFLIWOWDT-LLVKDONJSA-N 0 1 236.271 1.767 20 5 BDBDMN C[C@@H]1Cc2ccccc2N1CCNCC[N+](=O)[O-] ZINC000905069398 637602203 /nfs/dbraw/zinc/60/22/03/637602203.db2.gz CNJKHCJDLVVORZ-LLVKDONJSA-N 0 1 249.314 1.304 20 5 BDBDMN Cc1nc2c(s1)[C@H](NCC[N+](=O)[O-])CCC2 ZINC000905200690 637694483 /nfs/dbraw/zinc/69/44/83/637694483.db2.gz HMZGELHGACEDOA-MRVPVSSYSA-N 0 1 241.316 1.695 20 5 BDBDMN O=[N+]([O-])CCNCc1ccc2ncccc2c1 ZINC000905241781 637724208 /nfs/dbraw/zinc/72/42/08/637724208.db2.gz GHSYCTXEODUMBX-UHFFFAOYSA-N 0 1 231.255 1.601 20 5 BDBDMN C[C@H](NCC[N+](=O)[O-])[C@@H](O)c1cccc(F)c1 ZINC000905363839 637788234 /nfs/dbraw/zinc/78/82/34/637788234.db2.gz GXKDTLQVAFYFFQ-GZMMTYOYSA-N 0 1 242.250 1.114 20 5 BDBDMN Cc1scc(CNCC[N+](=O)[O-])c1C ZINC000905402429 637797393 /nfs/dbraw/zinc/79/73/93/637797393.db2.gz YSWJSHJAKVVJRC-UHFFFAOYSA-N 0 1 214.290 1.731 20 5 BDBDMN O=[N+]([O-])c1ccnn1CN1C[C@@H]2CCC[C@@H]2C1 ZINC000151211383 640341824 /nfs/dbraw/zinc/34/18/24/640341824.db2.gz SAHOZSJFXGXFCC-AOOOYVTPSA-N 0 1 236.275 1.481 20 5 BDBDMN CS[C@@H](C)CCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842370277 641262827 /nfs/dbraw/zinc/26/28/27/641262827.db2.gz ROUHOWRJUMECES-XLPZGREQSA-N 0 1 233.289 1.336 20 5 BDBDMN Cc1nc(Cn2nccc2[N+](=O)[O-])c(C)[nH]1 ZINC000916721989 641970854 /nfs/dbraw/zinc/97/08/54/641970854.db2.gz DRXFDZAWMOVTOA-UHFFFAOYSA-N 0 1 221.220 1.180 20 5 BDBDMN CC[C@H](C(=O)OCCC[N+](=O)[O-])N(CC)CC ZINC000860921894 643357603 /nfs/dbraw/zinc/35/76/03/643357603.db2.gz ZQLVIOJAXUTFMP-SNVBAGLBSA-N 0 1 246.307 1.317 20 5 BDBDMN CCO[C@H]1C[C@@H](N(C)CC[N+](=O)[O-])C12CCC2 ZINC000929841787 646352851 /nfs/dbraw/zinc/35/28/51/646352851.db2.gz PHWIUSASHWFCTB-MNOVXSKESA-N 0 1 242.319 1.543 20 5 BDBDMN COc1ccc([C@H](C)NCC[N+](=O)[O-])cc1F ZINC000930185693 646481600 /nfs/dbraw/zinc/48/16/00/646481600.db2.gz KZORYFFKQULPRT-QMMMGPOBSA-N 0 1 242.250 1.762 20 5 BDBDMN C[C@@H]1[C@@H](Nc2ncc([N+](=O)[O-])s2)CCN1C ZINC000719572890 712811256 /nfs/dbraw/zinc/81/12/56/712811256.db2.gz VQFXNQKSMPPPBD-RQJHMYQMSA-N 0 1 242.304 1.556 20 5 BDBDMN CN1CC[C@@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000712593417 712435234 /nfs/dbraw/zinc/43/52/34/712435234.db2.gz DOYASLFSTMXMJY-SECBINFHSA-N 0 1 222.248 1.106 20 5 BDBDMN Cc1ncn(-c2cc(F)cc([N+](=O)[O-])c2)c1N ZINC001216482327 971098850 /nfs/dbraw/zinc/09/88/50/971098850.db2.gz HLAJUKXXNBNFKV-UHFFFAOYSA-N 0 1 236.206 1.810 20 5 BDBDMN O=[N+]([O-])[C@@H]1C[C@H]1c1nnc(C2CCC2)o1 ZINC001327002967 972364077 /nfs/dbraw/zinc/36/40/77/972364077.db2.gz HLZVOPIFCPMTHN-RNFRBKRXSA-N 0 1 209.205 1.470 20 5 BDBDMN Cn1ccnc1Nc1ccc([N+](=O)[O-])nc1 ZINC001203560149 966686502 /nfs/dbraw/zinc/68/65/02/966686502.db2.gz HQOYLQCIUDJDAF-UHFFFAOYSA-N 0 1 219.204 1.467 20 5 BDBDMN COc1nonc1Nc1cccc([N+](=O)[O-])c1 ZINC001204414590 966993842 /nfs/dbraw/zinc/99/38/42/966993842.db2.gz AETQWUUPUIFBMI-UHFFFAOYSA-N 0 1 236.187 1.730 20 5 BDBDMN Cc1cc(C)c([N+](=O)[O-])cc1NCc1nnc[nH]1 ZINC001118577991 968184744 /nfs/dbraw/zinc/18/47/44/968184744.db2.gz AARZHZQBOGOAPQ-UHFFFAOYSA-N 0 1 247.258 1.942 20 5 BDBDMN Cc1cnc(CN)n1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168979181 969298491 /nfs/dbraw/zinc/29/84/91/969298491.db2.gz WZCQWXUHUJFNPO-NXEZZACHSA-N 0 1 238.291 1.268 20 5 BDBDMN O=[N+]([O-])C[C@@H]1CC[C@@H](N2Cc3cncnc3C2)C1 ZINC001169008694 969334588 /nfs/dbraw/zinc/33/45/88/969334588.db2.gz UBLFMQUYRYJNTI-MWLCHTKSSA-N 0 1 248.286 1.238 20 5 BDBDMN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N[C@@H]1C[C@H]1F)C2 ZINC001254575141 969741874 /nfs/dbraw/zinc/74/18/74/969741874.db2.gz PALNYSFRONLDJQ-MVWJERBFSA-N 0 1 236.246 1.762 20 5 BDBDMN Nc1nonc1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210393159 969882692 /nfs/dbraw/zinc/88/26/92/969882692.db2.gz PUPPADYEGWFSGP-UHFFFAOYSA-N 0 1 237.175 1.009 20 5 BDBDMN O=[N+]([O-])c1ccc(O)cc1OC[C@H]1CCCO1 ZINC001225490777 974529241 /nfs/dbraw/zinc/52/92/41/974529241.db2.gz KIDCSTZQTDBPMR-SECBINFHSA-N 0 1 239.227 1.858 20 5 BDBDMN O=c1[nH]c(C2CC2)nc(OC2CC2)c1[N+](=O)[O-] ZINC001228603518 976375147 /nfs/dbraw/zinc/37/51/47/976375147.db2.gz LORULDMOQQBVLC-UHFFFAOYSA-N 0 1 237.215 1.509 20 5 BDBDMN CC[C@H](C)Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229376083 976851177 /nfs/dbraw/zinc/85/11/77/976851177.db2.gz PRDVWOYPUWHKNR-YFKPBYRVSA-N 0 1 227.220 1.576 20 5 BDBDMN Cc1nc(O[C@H]2C=CCC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229383286 976852471 /nfs/dbraw/zinc/85/24/71/976852471.db2.gz ZGJVWXPITGYVMV-ZETCQYMHSA-N 0 1 237.215 1.496 20 5 BDBDMN CC(C)N1CCC[C@H]1C(=O)OCCC[N+](=O)[O-] ZINC001345667444 980665874 /nfs/dbraw/zinc/66/58/74/980665874.db2.gz JUHFXZGMPOVTPD-JTQLQIEISA-N 0 1 244.291 1.069 20 5 BDBDMN O=[N+]([O-])c1ccc2c(c1)CCN2Cc1nnc[nH]1 ZINC001118578788 988460464 /nfs/dbraw/zinc/46/04/64/988460464.db2.gz LDSNSQNFQDIYEL-UHFFFAOYSA-N 0 1 245.242 1.276 20 5 BDBDMN O=C(NCC=CC1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC001325151180 989101532 /nfs/dbraw/zinc/10/15/32/989101532.db2.gz LUGIQFTWVJRXKE-OWOJBTEDSA-N 0 1 236.231 1.014 20 5 BDBDMN Cc1ncc([N+](=O)[O-])cc1Nc1cncn1C ZINC001249545738 989306556 /nfs/dbraw/zinc/30/65/56/989306556.db2.gz ICAXFBJKEQGFDN-UHFFFAOYSA-N 0 1 233.231 1.775 20 5 BDBDMN CC(C)(C)[C@@H]1CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001262667165 993010560 /nfs/dbraw/zinc/01/05/60/993010560.db2.gz MWAKPJAOMWGZIU-HLTSFMKQSA-N 0 1 226.276 1.299 20 5 BDBDMN CCCN(CC)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602429983 349534330 /nfs/dbraw/zinc/53/43/30/349534330.db2.gz GWXCXFKITKDTEM-UHFFFAOYSA-N 0 1 226.280 1.560 20 5 BDBDMN C[C@@H]1C[C@H](C)N(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602473414 349544107 /nfs/dbraw/zinc/54/41/07/349544107.db2.gz QWFINZBFSMRSRS-BDAKNGLRSA-N 0 1 238.291 1.559 20 5 BDBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCOC2)c(F)c1 ZINC000310215395 343393148 /nfs/dbraw/zinc/39/31/48/343393148.db2.gz VVHOMDDLYZJDIE-SECBINFHSA-N 0 1 240.234 1.612 20 5 BDBDMN C[C@@H](NCc1nnc[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000037919506 187260920 /nfs/dbraw/zinc/26/09/20/187260920.db2.gz KCPYCERMNZBMRL-MRVPVSSYSA-N 0 1 247.258 1.564 20 5 BDBDMN C[C@H](CO)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000610369891 343950234 /nfs/dbraw/zinc/95/02/34/343950234.db2.gz OTIPQPLRADCLGA-JTQLQIEISA-N 0 1 238.287 1.655 20 5 BDBDMN O=[N+]([O-])c1ncccc1N1CCc2cn[nH]c2C1 ZINC000611007014 344221023 /nfs/dbraw/zinc/22/10/23/344221023.db2.gz UKBUROXMAZPTRK-UHFFFAOYSA-N 0 1 245.242 1.276 20 5 BDBDMN CCC[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000611198091 344271090 /nfs/dbraw/zinc/27/10/90/344271090.db2.gz QNFFGQKLEGPGPK-LURJTMIESA-N 0 1 226.236 1.236 20 5 BDBDMN O=[N+]([O-])c1ccn(CCN2CC=CCC2)n1 ZINC000611517411 344747651 /nfs/dbraw/zinc/74/76/51/344747651.db2.gz ABWBINJPNSIPET-UHFFFAOYSA-N 0 1 222.248 1.053 20 5 BDBDMN Cc1ccc(NCCc2nc[nH]n2)c([N+](=O)[O-])c1 ZINC000080590271 178759359 /nfs/dbraw/zinc/75/93/59/178759359.db2.gz WLDMTUKZXQGBOP-UHFFFAOYSA-N 0 1 247.258 1.676 20 5 BDBDMN C[C@@H]1[C@@H](O)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000590758980 347506757 /nfs/dbraw/zinc/50/67/57/347506757.db2.gz XLZZWVWXHWQAIV-SKDRFNHKSA-N 0 1 236.271 1.550 20 5 BDBDMN Cc1[nH]nc(C(=O)N2CCCCC2)c1[N+](=O)[O-] ZINC000197381892 347572720 /nfs/dbraw/zinc/57/27/20/347572720.db2.gz ZOYMILMESWLBIV-UHFFFAOYSA-N 0 1 238.247 1.252 20 5 BDBDMN CN(CC1CN(C)C1)c1ccc([N+](=O)[O-])s1 ZINC000596454280 348552105 /nfs/dbraw/zinc/55/21/05/348552105.db2.gz QDEVGAGFQOTIPC-UHFFFAOYSA-N 0 1 241.316 1.654 20 5 BDBDMN O=C1[C@@H]2CCCC2=NN1c1ccc([N+](=O)[O-])cn1 ZINC000601933698 349386896 /nfs/dbraw/zinc/38/68/96/349386896.db2.gz RVZNPLHFZDHSRG-MRVPVSSYSA-N 0 1 246.226 1.493 20 5 BDBDMN CCc1[nH]nc(C(=O)N(C)C(C)C)c1[N+](=O)[O-] ZINC000188148754 188000956 /nfs/dbraw/zinc/00/09/56/188000956.db2.gz GATJVDHMEGIHMM-UHFFFAOYSA-N 0 1 240.263 1.361 20 5 BDBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC2)c1 ZINC000269654043 188023886 /nfs/dbraw/zinc/02/38/86/188023886.db2.gz NLHICODLSKDBMS-NSHDSACASA-N 0 1 222.244 1.334 20 5 BDBDMN O=C([O-])C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332697373 188054363 /nfs/dbraw/zinc/05/43/63/188054363.db2.gz TUATTZOORPKEKJ-UHFFFAOYSA-N 0 1 236.227 1.038 20 5 BDBDMN C[C@@H]1CN(C)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000580358815 356431910 /nfs/dbraw/zinc/43/19/10/356431910.db2.gz MSKPEVKYXUETKL-SECBINFHSA-N 0 1 236.275 1.130 20 5 BDBDMN O=[N+]([O-])c1ccc(Cl)c(CNCCO)c1 ZINC000035368261 357195815 /nfs/dbraw/zinc/19/58/15/357195815.db2.gz AODUIAHJSSLPEH-UHFFFAOYSA-N 0 1 230.651 1.330 20 5 BDBDMN C[C@@H](Nc1ccccc1[N+](=O)[O-])c1nnc[nH]1 ZINC000219647694 134288689 /nfs/dbraw/zinc/28/86/89/134288689.db2.gz MHCNZDRBAJEKBS-SSDOTTSWSA-N 0 1 233.231 1.886 20 5 BDBDMN C[C@H](CO)SCc1cc(O)ccc1[N+](=O)[O-] ZINC000436477091 201325895 /nfs/dbraw/zinc/32/58/95/201325895.db2.gz VLTUTOZEQAAECW-SSDOTTSWSA-N 0 1 243.284 1.914 20 5 BDBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]2C[C@]2(O)C1 ZINC000603086000 371866103 /nfs/dbraw/zinc/86/61/03/371866103.db2.gz CRPDOOOLNRYJEV-NRUUGDAUSA-N 0 1 248.282 1.722 20 5 BDBDMN O=[N+]([O-])c1cccc(CN2C[C@@H]3C[C@]3(O)C2)c1 ZINC000603095854 371868041 /nfs/dbraw/zinc/86/80/41/371868041.db2.gz XPQQFZAUDVMAOI-JQWIXIFHSA-N 0 1 234.255 1.161 20 5 BDBDMN C[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000338905723 383862682 /nfs/dbraw/zinc/86/26/82/383862682.db2.gz BNSDZIARJZTIJX-UHFFFAOYSA-N 0 1 222.244 1.895 20 5 BDBDMN C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000338905723 383862684 /nfs/dbraw/zinc/86/26/84/383862684.db2.gz BNSDZIARJZTIJX-UHFFFAOYSA-N 0 1 222.244 1.895 20 5 BDBDMN CC[C@@H](CO)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000293913154 384065749 /nfs/dbraw/zinc/06/57/49/384065749.db2.gz OPTFZQXMRIPEHP-NSHDSACASA-N 0 1 238.287 1.798 20 5 BDBDMN C[C@@H](CO)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000158876125 384559764 /nfs/dbraw/zinc/55/97/64/384559764.db2.gz UQKXNWJWTQJNFG-VIFPVBQESA-N 0 1 224.260 1.407 20 5 BDBDMN CC(C)[C@@H](C)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000179404048 384883128 /nfs/dbraw/zinc/88/31/28/384883128.db2.gz PSEXWDPFVIKCHT-ZETCQYMHSA-N 0 1 240.263 1.340 20 5 BDBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000408404309 386306530 /nfs/dbraw/zinc/30/65/30/386306530.db2.gz HRJUVCDJDXSDDR-LURJTMIESA-N 0 1 238.247 1.251 20 5 BDBDMN O=[N+]([O-])c1ccccc1CN[C@H]1C[C@@H](O)C1 ZINC000294820335 386566203 /nfs/dbraw/zinc/56/62/03/386566203.db2.gz KLMRTUKMSXXRIM-AOOOYVTPSA-N 0 1 222.244 1.208 20 5 BDBDMN O=[N+]([O-])c1cccc(CN2CC[C@H](CO)C2)c1 ZINC000051887084 386566469 /nfs/dbraw/zinc/56/64/69/386566469.db2.gz LTSLBQXPDWBBQV-NSHDSACASA-N 0 1 236.271 1.409 20 5 BDBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC2(CC2)CC1 ZINC000369768455 387592311 /nfs/dbraw/zinc/59/23/11/387592311.db2.gz WWDQKQLGVWCNEV-IUCAKERBSA-N 0 1 224.260 1.054 20 5 BDBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CC2(C1)CCCC2 ZINC000372370290 388258621 /nfs/dbraw/zinc/25/86/21/388258621.db2.gz XRFKKMAHTKIDCU-DTWKUNHWSA-N 0 1 224.260 1.054 20 5 BDBDMN C[C@@H]1OCC[C@H]1NCc1csc([N+](=O)[O-])c1 ZINC000134241310 388397709 /nfs/dbraw/zinc/39/77/09/388397709.db2.gz MRDXIQJZRCPOFT-IONNQARKSA-N 0 1 242.300 1.923 20 5 BDBDMN Cc1ccc([N+](=O)[O-])c(NCc2nn[nH]n2)c1 ZINC000094659595 388646791 /nfs/dbraw/zinc/64/67/91/388646791.db2.gz GVCZOFKLTLKXQK-UHFFFAOYSA-N 0 1 234.219 1.028 20 5 BDBDMN O=[N+]([O-])c1ccccc1CN1C[C@H](O)C2(CC2)C1 ZINC000372301482 388703098 /nfs/dbraw/zinc/70/30/98/388703098.db2.gz NMWSXNYQNLBUJM-LBPRGKRZSA-N 0 1 248.282 1.552 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CCCCC[C@@H]21 ZINC000378094412 388727418 /nfs/dbraw/zinc/72/74/18/388727418.db2.gz YCZWOGBEPRYLPC-ZNSHCXBVSA-N 0 1 238.287 1.443 20 5 BDBDMN CC(C)[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000158959534 167379904 /nfs/dbraw/zinc/37/99/04/167379904.db2.gz WTYFYFLNYGYIKO-ZCFIWIBFSA-N 0 1 226.236 1.092 20 5 BDBDMN CNCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000035697483 173395720 /nfs/dbraw/zinc/39/57/20/173395720.db2.gz JLCXBUOTFSDFBG-UHFFFAOYSA-N 0 1 234.215 1.364 20 5 BDBDMN C[C@H]1C[C@H](C)N(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355343967 177359654 /nfs/dbraw/zinc/35/96/54/177359654.db2.gz PKGFYIPXEOJNKN-IUCAKERBSA-N 0 1 238.291 1.559 20 5 BDBDMN CS(=O)(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000229566937 324075401 /nfs/dbraw/zinc/07/54/01/324075401.db2.gz MQWOHWNIZOIXLI-UHFFFAOYSA-N 0 1 234.208 1.105 20 5 BDBDMN Cc1noc(CON=C(N)C(C)C)c1[N+](=O)[O-] ZINC000853684946 588755962 /nfs/dbraw/zinc/75/59/62/588755962.db2.gz NCQCHAYUKCRAHV-UHFFFAOYSA-N 0 1 242.235 1.546 20 5 BDBDMN CNCc1nc(-c2cc(C)cc([N+](=O)[O-])c2)no1 ZINC000843239900 582873343 /nfs/dbraw/zinc/87/33/43/582873343.db2.gz QRPGMBLVLXVYDR-UHFFFAOYSA-N 0 1 248.242 1.673 20 5 BDBDMN Cc1cnc([C@@H](C)OC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC000840669831 583378072 /nfs/dbraw/zinc/37/80/72/583378072.db2.gz JWIQWJPQZZAFOL-BWZBUEFSSA-N 0 1 240.215 1.252 20 5 BDBDMN C[C@@H]1C[C@@H](COC(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000840672632 583417597 /nfs/dbraw/zinc/41/75/97/583417597.db2.gz DKDYLJTZJAYPMF-UTINFBMNSA-N 0 1 243.259 1.010 20 5 BDBDMN O=C(OCc1cccs1)[C@@H]1CC1[N+](=O)[O-] ZINC000840673653 583424948 /nfs/dbraw/zinc/42/49/48/583424948.db2.gz XDNSYZCLCHWFDR-HTQZYQBOSA-N 0 1 227.241 1.457 20 5 BDBDMN CN1C[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])cn1 ZINC000894878311 583542393 /nfs/dbraw/zinc/54/23/93/583542393.db2.gz AMERDQYOMDNTPW-PHIMTYICSA-N 0 1 248.286 1.273 20 5 BDBDMN C[C@H]1CC=CC[C@H]1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841004006 584003448 /nfs/dbraw/zinc/00/34/48/584003448.db2.gz JUBOTWFRHNOMAJ-UKKRHICBSA-N 0 1 239.271 1.797 20 5 BDBDMN COC[C@H](C)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000733706795 584952555 /nfs/dbraw/zinc/95/25/55/584952555.db2.gz QGGWBVVDEMZZOK-LURJTMIESA-N 0 1 228.204 1.115 20 5 BDBDMN Cc1cccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1C ZINC000839458307 585104892 /nfs/dbraw/zinc/10/48/92/585104892.db2.gz BRXXBJDPHYOCJT-MWLCHTKSSA-N 0 1 234.255 1.907 20 5 BDBDMN CC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839508174 585105716 /nfs/dbraw/zinc/10/57/16/585105716.db2.gz FJHKKWKFHLJRHZ-IJLUTSLNSA-N 0 1 248.282 1.919 20 5 BDBDMN C[C@H]1c2cccn2CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839496493 585105844 /nfs/dbraw/zinc/10/58/44/585105844.db2.gz OKJJPQOGNSHUIF-IQJOONFLSA-N 0 1 249.270 1.057 20 5 BDBDMN CCCN(CC(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839512768 585106069 /nfs/dbraw/zinc/10/60/69/585106069.db2.gz RKRSNJKAWQOHBZ-NXEZZACHSA-N 0 1 228.292 1.546 20 5 BDBDMN O=C(NC[C@@H]1CC=CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839584819 585332117 /nfs/dbraw/zinc/33/21/17/585332117.db2.gz WDYKPUXEDSADDF-OPRDCNLKSA-N 0 1 224.260 1.124 20 5 BDBDMN CS[C@@H]1CC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839693877 585335510 /nfs/dbraw/zinc/33/55/10/585335510.db2.gz XAAGXPOMXRJJRX-FNCVBFRFSA-N 0 1 244.316 1.052 20 5 BDBDMN CCC[C@@H]1SCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839684079 585337136 /nfs/dbraw/zinc/33/71/36/585337136.db2.gz SDYSKWJLRIZUEP-HLTSFMKQSA-N 0 1 244.316 1.353 20 5 BDBDMN CC[C@@H]1CC[C@H](C)N1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839717714 585338287 /nfs/dbraw/zinc/33/82/87/585338287.db2.gz LPTSTBIBVJBYGS-SGIHWFKDSA-N 0 1 226.276 1.441 20 5 BDBDMN Cc1ccncc1[C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839718965 585338460 /nfs/dbraw/zinc/33/84/60/585338460.db2.gz VGHIIBOSZIQYOF-FXPVBKGRSA-N 0 1 249.270 1.232 20 5 BDBDMN CC(C)(C)[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839723782 585338661 /nfs/dbraw/zinc/33/86/61/585338661.db2.gz LGCNZKBNDVYXQR-OPRDCNLKSA-N 0 1 240.303 1.546 20 5 BDBDMN O=C(Nc1cccc2cc[nH]c21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839728911 585338872 /nfs/dbraw/zinc/33/88/72/585338872.db2.gz RQZZZTXPDGZDJD-PSASIEDQSA-N 0 1 245.238 1.772 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C2CC2)CC1 ZINC000839775950 585341206 /nfs/dbraw/zinc/34/12/06/585341206.db2.gz IRNCVVXTFVHZRU-GHMZBOCLSA-N 0 1 238.287 1.300 20 5 BDBDMN O=C(NC[C@@H]1CCCC1(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000839783827 585342036 /nfs/dbraw/zinc/34/20/36/585342036.db2.gz VYJMWGWXUXVRQQ-XLPZGREQSA-N 0 1 248.229 1.203 20 5 BDBDMN C[C@@H](CC(C)(C)C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839790756 585347119 /nfs/dbraw/zinc/34/71/19/585347119.db2.gz FWCYHZYCDNUTPE-DJLDLDEBSA-N 0 1 228.292 1.593 20 5 BDBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CC=CCC2)c1 ZINC000778969359 585743068 /nfs/dbraw/zinc/74/30/68/585743068.db2.gz KLCBQWWHDGXLIM-CYBMUJFWSA-N 0 1 248.282 1.890 20 5 BDBDMN C[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H](C)C1 ZINC000819682768 586984796 /nfs/dbraw/zinc/98/47/96/586984796.db2.gz AKEXLJDIBXMESW-ZYUZMQFOSA-N 0 1 226.276 1.299 20 5 BDBDMN O=C(OCc1c[nH]nn1)c1cccc([N+](=O)[O-])c1 ZINC000821586538 587130519 /nfs/dbraw/zinc/13/05/19/587130519.db2.gz DLEIAQMSUAIBMU-UHFFFAOYSA-N 0 1 248.198 1.070 20 5 BDBDMN CCCCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840671208 587915559 /nfs/dbraw/zinc/91/55/59/587915559.db2.gz PTZRCSPONSMHBY-HTQZYQBOSA-N 0 1 201.222 1.385 20 5 BDBDMN O=C(O[C@@H]1C=CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000840671675 587915818 /nfs/dbraw/zinc/91/58/18/587915818.db2.gz ZCEHFISBUWHPFJ-IWSPIJDZSA-N 0 1 211.217 1.304 20 5 BDBDMN CC(=O)c1ccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000841000122 587934011 /nfs/dbraw/zinc/93/40/11/587934011.db2.gz YYSZUQKLHFAVCD-GHMZBOCLSA-N 0 1 249.222 1.460 20 5 BDBDMN C[C@H]1[C@@H](C)N(Cn2nccc2[N+](=O)[O-])C[C@H]1C ZINC000841688900 587972343 /nfs/dbraw/zinc/97/23/43/587972343.db2.gz HUVZACNFVJNSND-OPRDCNLKSA-N 0 1 238.291 1.725 20 5 BDBDMN O=C(OCC1CC=CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000842324743 588018134 /nfs/dbraw/zinc/01/81/34/588018134.db2.gz NRYPBXDLMNHMLL-RKDXNWHRSA-N 0 1 211.217 1.161 20 5 BDBDMN CC1(C)C[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000842343509 588019992 /nfs/dbraw/zinc/01/99/92/588019992.db2.gz OKAYQTLHLWDSLP-IWSPIJDZSA-N 0 1 243.259 1.152 20 5 BDBDMN CSCC[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842374977 588022698 /nfs/dbraw/zinc/02/26/98/588022698.db2.gz ZAUWXBOUWXDNBJ-XLPZGREQSA-N 0 1 233.289 1.336 20 5 BDBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCC1 ZINC000847804107 588331949 /nfs/dbraw/zinc/33/19/49/588331949.db2.gz BPGFOIOQBHDFQN-SZEHBUNVSA-N 0 1 227.260 1.774 20 5 BDBDMN C[C@]1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H]2C[C@H]2C1 ZINC000863121952 589260772 /nfs/dbraw/zinc/26/07/72/589260772.db2.gz XQWAZADZQNHKOP-KNDBQHFLSA-N 0 1 238.287 1.204 20 5 BDBDMN CCC[C@H](C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000881532508 591231658 /nfs/dbraw/zinc/23/16/58/591231658.db2.gz RMIKGSAOXNSUIN-IVZWLZJFSA-N 0 1 228.292 1.594 20 5 BDBDMN CCN(CC)Cc1cccnc1[N+](=O)[O-] ZINC000885942625 592111520 /nfs/dbraw/zinc/11/15/20/592111520.db2.gz QKZVAIPURLGHLI-UHFFFAOYSA-N 0 1 209.249 1.832 20 5 BDBDMN O=C(Nc1cccnc1C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000889882961 592658876 /nfs/dbraw/zinc/65/88/76/592658876.db2.gz DBHVNPMSLZOYJY-PSASIEDQSA-N 0 1 247.254 1.563 20 5 BDBDMN O=[N+]([O-])CCNC[C@H]1CC1(Cl)Cl ZINC000905039665 637558374 /nfs/dbraw/zinc/55/83/74/637558374.db2.gz WSXNGGNDWVSZMR-RXMQYKEDSA-N 0 1 213.064 1.047 20 5 BDBDMN O=[N+]([O-])CCN[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000905071695 637603527 /nfs/dbraw/zinc/60/35/27/637603527.db2.gz PRCBGEIBZIQYFB-MNOVXSKESA-N 0 1 224.235 1.548 20 5 BDBDMN CC[C@H](NCC[N+](=O)[O-])c1ccncc1 ZINC000905134301 637644717 /nfs/dbraw/zinc/64/47/17/637644717.db2.gz SSFIVKAZCPOYLV-JTQLQIEISA-N 0 1 209.249 1.399 20 5 BDBDMN CO[C@](C)(CNCC[N+](=O)[O-])c1ccccc1 ZINC000905273447 637731163 /nfs/dbraw/zinc/73/11/63/637731163.db2.gz OYSJWILTVSHODW-GFCCVEGCSA-N 0 1 238.287 1.415 20 5 BDBDMN O=[N+]([O-])CCNCc1cccc2[nH]ccc21 ZINC000905408303 637799442 /nfs/dbraw/zinc/79/94/42/637799442.db2.gz NYVRCBZFUCTZRM-UHFFFAOYSA-N 0 1 219.244 1.534 20 5 BDBDMN O=[N+]([O-])CCNCc1cccc2ncccc12 ZINC000905415570 637802751 /nfs/dbraw/zinc/80/27/51/637802751.db2.gz LAYDPDJGGNGNJF-UHFFFAOYSA-N 0 1 231.255 1.601 20 5 BDBDMN CC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccn1 ZINC000910344438 639421911 /nfs/dbraw/zinc/42/19/11/639421911.db2.gz CPLBPRLGZLWMHP-WCABBAIRSA-N 0 1 249.270 1.314 20 5 BDBDMN C[C@H](NCC[N+](=O)[O-])c1ccsc1 ZINC000930345352 639715075 /nfs/dbraw/zinc/71/50/75/639715075.db2.gz NJYFFGIGWYYMGX-ZETCQYMHSA-N 0 1 200.263 1.675 20 5 BDBDMN CC(C)[C@H]1CN(CC[N+](=O)[O-])CCCO1 ZINC000930589635 639814743 /nfs/dbraw/zinc/81/47/43/639814743.db2.gz LLKQGMJARRELSJ-SNVBAGLBSA-N 0 1 216.281 1.010 20 5 BDBDMN CN1CCC[C@@H](NCC[N+](=O)[O-])c2ccccc21 ZINC000930654142 639847254 /nfs/dbraw/zinc/84/72/54/639847254.db2.gz CGFQGVPBTNJJEQ-GFCCVEGCSA-N 0 1 249.314 1.824 20 5 BDBDMN O=[N+]([O-])CCN1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000930714336 639876003 /nfs/dbraw/zinc/87/60/03/639876003.db2.gz DENPJCLBBWVANX-RYUDHWBXSA-N 0 1 236.271 1.071 20 5 BDBDMN C[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000035792397 639946856 /nfs/dbraw/zinc/94/68/56/639946856.db2.gz PGSAGHXPDZKDFA-HTQZYQBOSA-N 0 1 237.259 1.119 20 5 BDBDMN CC(C)(C)OC[C@@H]1CCCN1CC[N+](=O)[O-] ZINC000932168484 640448958 /nfs/dbraw/zinc/44/89/58/640448958.db2.gz BKZUSCOPZCPWPQ-JTQLQIEISA-N 0 1 230.308 1.543 20 5 BDBDMN CSCC1CCN(CC[N+](=O)[O-])CC1 ZINC000932584800 643368657 /nfs/dbraw/zinc/36/86/57/643368657.db2.gz BZWAZDPQKAVCKX-UHFFFAOYSA-N 0 1 218.322 1.338 20 5 BDBDMN O=[N+]([O-])CCN1CCC(c2cccnc2)CC1 ZINC000930160439 645519805 /nfs/dbraw/zinc/51/98/05/645519805.db2.gz PFUVKDAJKNJHNB-UHFFFAOYSA-N 0 1 235.287 1.538 20 5 BDBDMN CCC1(CC)[C@H](N(C)CC[N+](=O)[O-])C[C@@H]1OC ZINC000930034430 646403873 /nfs/dbraw/zinc/40/38/73/646403873.db2.gz AUCUKZRPLYNXDA-MNOVXSKESA-N 0 1 244.335 1.789 20 5 BDBDMN O=C(N[C@H]1CCC[C@H](F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001130332308 970967395 /nfs/dbraw/zinc/96/73/95/970967395.db2.gz JMUZFPLCZXRGIZ-RBXMUDONSA-N 0 1 230.239 1.049 20 5 BDBDMN Cc1ccc(-n2cncc2N)c([N+](=O)[O-])c1 ZINC001214167262 970442935 /nfs/dbraw/zinc/44/29/35/970442935.db2.gz CUJTZKWVCAOPHR-UHFFFAOYSA-N 0 1 218.216 1.671 20 5 BDBDMN O=[N+]([O-])c1ccc(O)cc1O[C@H]1CCCOC1 ZINC001225488591 974524670 /nfs/dbraw/zinc/52/46/70/974524670.db2.gz IMKVPQRBAXTZGH-VIFPVBQESA-N 0 1 239.227 1.858 20 5 BDBDMN CN1CCC[C@H](Oc2cccnc2[N+](=O)[O-])C1 ZINC001225628329 974604240 /nfs/dbraw/zinc/60/42/40/974604240.db2.gz HSKVFKJGIYLKQV-VIFPVBQESA-N 0 1 237.259 1.463 20 5 BDBDMN O=[N+]([O-])c1ccc(O[C@@H]2CN3CCC2CC3)nc1 ZINC001225632921 974608872 /nfs/dbraw/zinc/60/88/72/974608872.db2.gz OAQSBUUQJYMQPZ-LLVKDONJSA-N 0 1 249.270 1.463 20 5 BDBDMN CC(=O)[C@@H](C)Oc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC001230601839 977266487 /nfs/dbraw/zinc/26/64/87/977266487.db2.gz RFGFJJPWHRLTHT-SSDOTTSWSA-N 0 1 249.226 1.827 20 5 BDBDMN Nc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1F ZINC001580436680 986850172 /nfs/dbraw/zinc/85/01/72/986850172.db2.gz KVSPVSSSXLOGLK-HZGVNTEJSA-N 0 1 239.206 1.012 20 5 BDBDMN O=C(OCC1CSC1)c1ccc([N+](=O)[O-])[nH]1 ZINC001123037982 990495348 /nfs/dbraw/zinc/49/53/48/990495348.db2.gz GJHJTHZJZDGNPY-UHFFFAOYSA-N 0 1 242.256 1.443 20 5 BDBDMN Cc1cc(CNc2ncccc2[N+](=O)[O-])n[nH]1 ZINC000609595757 342887971 /nfs/dbraw/zinc/88/79/71/342887971.db2.gz GUUBGIWFVDBQSS-UHFFFAOYSA-N 0 1 233.231 1.633 20 5 BDBDMN C[C@H]1CCCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602466150 342925252 /nfs/dbraw/zinc/92/52/52/342925252.db2.gz AFTPKUVZWUJCAH-QMMMGPOBSA-N 0 1 224.264 1.313 20 5 BDBDMN CC(C)(CO)NCc1csc([N+](=O)[O-])c1 ZINC000037472340 187251834 /nfs/dbraw/zinc/25/18/34/187251834.db2.gz XONHHUMWLURGQL-UHFFFAOYSA-N 0 1 230.289 1.517 20 5 BDBDMN O=[N+]([O-])c1ccccc1CCNCc1ccon1 ZINC000148854079 346471106 /nfs/dbraw/zinc/47/11/06/346471106.db2.gz APUJCGZKGJEUCY-UHFFFAOYSA-N 0 1 247.254 1.915 20 5 BDBDMN O=[N+]([O-])c1cn(CCc2c[nH]nn2)nc1C1CC1 ZINC000590597238 347479333 /nfs/dbraw/zinc/47/93/33/347479333.db2.gz BZJUVORVZREZGH-UHFFFAOYSA-N 0 1 248.246 1.030 20 5 BDBDMN Cc1noc(CN2C[C@@H](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000595331990 348228261 /nfs/dbraw/zinc/22/82/61/348228261.db2.gz AWIFFRHZTKVPCD-HTQZYQBOSA-N 0 1 239.275 1.979 20 5 BDBDMN O=[N+]([O-])c1ccc(CN2CC[C@@]3(O)C[C@H]3C2)cc1 ZINC000595767814 348334921 /nfs/dbraw/zinc/33/49/21/348334921.db2.gz PELYAXHWFQIBNL-WCQYABFASA-N 0 1 248.282 1.552 20 5 BDBDMN Cc1nc(N[C@@H](C)c2nnc[nH]2)ccc1[N+](=O)[O-] ZINC000226500121 180022242 /nfs/dbraw/zinc/02/22/42/180022242.db2.gz KBZXOJCYWJXCGQ-ZETCQYMHSA-N 0 1 248.246 1.589 20 5 BDBDMN O=C(NCc1cnc[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000088753669 356805804 /nfs/dbraw/zinc/80/58/04/356805804.db2.gz DXCUFFRNOLXJPJ-UHFFFAOYSA-N 0 1 246.226 1.248 20 5 BDBDMN Cc1[nH]nc(C(=O)N2CC(C)(C)C2)c1[N+](=O)[O-] ZINC000619146601 358003868 /nfs/dbraw/zinc/00/38/68/358003868.db2.gz CRCKPPXUYQPTDB-UHFFFAOYSA-N 0 1 238.247 1.108 20 5 BDBDMN CN(C)C1CN(c2sccc2[N+](=O)[O-])C1 ZINC000611414363 359362974 /nfs/dbraw/zinc/36/29/74/359362974.db2.gz XBUYFRBDFHCSFE-UHFFFAOYSA-N 0 1 227.289 1.407 20 5 BDBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCCC2(CC2)C1 ZINC000364284248 182643179 /nfs/dbraw/zinc/64/31/79/182643179.db2.gz UYPMXQFASXNGNI-DTWKUNHWSA-N 0 1 224.260 1.054 20 5 BDBDMN C[C@@H](O)C[N@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339208154 383929009 /nfs/dbraw/zinc/92/90/09/383929009.db2.gz DBJODAXASNCHJN-MRVPVSSYSA-N 0 1 240.259 1.113 20 5 BDBDMN C[C@@H](O)C[N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339208154 383929015 /nfs/dbraw/zinc/92/90/15/383929015.db2.gz DBJODAXASNCHJN-MRVPVSSYSA-N 0 1 240.259 1.113 20 5 BDBDMN CN(C)C1CN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000286413542 384310775 /nfs/dbraw/zinc/31/07/75/384310775.db2.gz GSLVRJBGNRQEHU-UHFFFAOYSA-N 0 1 239.250 1.484 20 5 BDBDMN C[C@H](CO)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000085447346 385186437 /nfs/dbraw/zinc/18/64/37/385186437.db2.gz MBASVUCAMVACQA-SSDOTTSWSA-N 0 1 244.678 1.719 20 5 BDBDMN CC[C@H]1CCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000294079828 386351180 /nfs/dbraw/zinc/35/11/80/386351180.db2.gz QTHSNFINKZSTAJ-ZETCQYMHSA-N 0 1 238.247 1.251 20 5 BDBDMN CCN(CCO)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000269475028 387181810 /nfs/dbraw/zinc/18/18/10/387181810.db2.gz VJANDOQFQZVPAO-SNVBAGLBSA-N 0 1 238.287 1.970 20 5 BDBDMN Cc1[nH]ncc1CNc1ccc([N+](=O)[O-])cn1 ZINC000038011975 388239826 /nfs/dbraw/zinc/23/98/26/388239826.db2.gz VDBDOJWIIRKRIR-UHFFFAOYSA-N 0 1 233.231 1.633 20 5 BDBDMN C[C@@H]1C[C@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272585997 388473257 /nfs/dbraw/zinc/47/32/57/388473257.db2.gz UWKRHOLDWVVHIN-LHLIQPBNSA-N 0 1 236.227 1.439 20 5 BDBDMN CN(Cc1ccccc1[N+](=O)[O-])CC(C)(C)O ZINC000078489861 388681412 /nfs/dbraw/zinc/68/14/12/388681412.db2.gz ONMBOLSOPNCTJK-UHFFFAOYSA-N 0 1 238.287 1.798 20 5 BDBDMN O=[N+]([O-])c1cccnc1NCCCc1nc[nH]n1 ZINC000080588557 388712246 /nfs/dbraw/zinc/71/22/46/388712246.db2.gz KWESMSDYGHLDSV-UHFFFAOYSA-N 0 1 248.246 1.153 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CCCCC[C@H]21 ZINC000378094409 388727602 /nfs/dbraw/zinc/72/76/02/388727602.db2.gz YCZWOGBEPRYLPC-DBIOUOCHSA-N 0 1 238.287 1.443 20 5 BDBDMN CC[C@H]1CCCN1Cc1c([N+](=O)[O-])ncn1C ZINC000332644302 388793812 /nfs/dbraw/zinc/79/38/12/388793812.db2.gz BJICEPJVMPSENB-VIFPVBQESA-N 0 1 238.291 1.703 20 5 BDBDMN O=[N+]([O-])c1cccc(CNC[C@@H](O)C(F)F)c1 ZINC000226577812 134367168 /nfs/dbraw/zinc/36/71/68/134367168.db2.gz PVMWLVDHUYTSBO-SECBINFHSA-N 0 1 246.213 1.310 20 5 BDBDMN Cc1[nH]nc(C(=O)N2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000263706824 135127990 /nfs/dbraw/zinc/12/79/90/135127990.db2.gz PWRNCGAQBCQAAY-LURJTMIESA-N 0 1 238.247 1.108 20 5 BDBDMN CC(C)[C@@H](C)N(C)Cc1c([N+](=O)[O-])ncn1C ZINC000331039908 167367810 /nfs/dbraw/zinc/36/78/10/167367810.db2.gz BUXQVACDHAEYOW-SECBINFHSA-N 0 1 240.307 1.805 20 5 BDBDMN CC(C)c1nnc(Cn2cnc([N+](=O)[O-])c2)[nH]1 ZINC000291684212 167668088 /nfs/dbraw/zinc/66/80/88/167668088.db2.gz NNHKMTTUVYCATI-UHFFFAOYSA-N 0 1 236.235 1.081 20 5 BDBDMN Cc1ccc([N+](=O)[O-])c(N(C)Cc2cnc[nH]2)n1 ZINC000853743470 588760821 /nfs/dbraw/zinc/76/08/21/588760821.db2.gz QEEGHORTKXWWJD-UHFFFAOYSA-N 0 1 247.258 1.658 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H](CCF)C1 ZINC000855825705 588849412 /nfs/dbraw/zinc/84/94/12/588849412.db2.gz TWLUEXJVPJITET-IVZWLZJFSA-N 0 1 244.266 1.250 20 5 BDBDMN C[C@H]1C[C@@H](COC(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000840672617 583417556 /nfs/dbraw/zinc/41/75/56/583417556.db2.gz DKDYLJTZJAYPMF-AXTSPUMRSA-N 0 1 243.259 1.010 20 5 BDBDMN C[N@H+]1CC[C@H]1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000895771214 583725208 /nfs/dbraw/zinc/72/52/08/583725208.db2.gz VILDCQAYMDFVTR-VIFPVBQESA-N 0 1 236.275 1.293 20 5 BDBDMN CN1CC[C@H]1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000895771214 583725209 /nfs/dbraw/zinc/72/52/09/583725209.db2.gz VILDCQAYMDFVTR-VIFPVBQESA-N 0 1 236.275 1.293 20 5 BDBDMN COCc1ccccc1CNCC[N+](=O)[O-] ZINC000899867698 584243914 /nfs/dbraw/zinc/24/39/14/584243914.db2.gz XSYWJDPCAVMEDX-UHFFFAOYSA-N 0 1 224.260 1.199 20 5 BDBDMN O=C(Nc1cccc(F)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839487359 585105145 /nfs/dbraw/zinc/10/51/45/585105145.db2.gz UQVWWVCBHOZYMV-RKDXNWHRSA-N 0 1 224.191 1.429 20 5 BDBDMN CCC[C@@H](C)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839526168 585105671 /nfs/dbraw/zinc/10/56/71/585105671.db2.gz ARUYGVPHHYREGC-IWSPIJDZSA-N 0 1 214.265 1.299 20 5 BDBDMN C[C@@H]1CCCC[C@H]1N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839509299 585106149 /nfs/dbraw/zinc/10/61/49/585106149.db2.gz XHTLDSKLYWATIJ-GWOFURMSSA-N 0 1 240.303 1.689 20 5 BDBDMN CSCCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000744334672 585148726 /nfs/dbraw/zinc/14/87/26/585148726.db2.gz IRZJQDKKWIPTBH-UHFFFAOYSA-N 0 1 230.245 1.443 20 5 BDBDMN C[C@@H](c1ccccn1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839599194 585331564 /nfs/dbraw/zinc/33/15/64/585331564.db2.gz VQBSABZGNBPSMJ-IQJOONFLSA-N 0 1 249.270 1.266 20 5 BDBDMN CC(C)C[C@@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839616678 585332310 /nfs/dbraw/zinc/33/23/10/585332310.db2.gz WDEHIFFOYMMGDH-HBNTYKKESA-N 0 1 240.303 1.689 20 5 BDBDMN CC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccncc1 ZINC000839690226 585335197 /nfs/dbraw/zinc/33/51/97/585335197.db2.gz UULMRNIHBCUNFW-OUAUKWLOSA-N 0 1 249.270 1.314 20 5 BDBDMN C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839735342 585337500 /nfs/dbraw/zinc/33/75/00/585337500.db2.gz YJCPZIVYBIOTSL-ZKKRXERASA-N 0 1 240.303 1.545 20 5 BDBDMN CC(C)C(CNC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC000839734352 585337546 /nfs/dbraw/zinc/33/75/46/585337546.db2.gz UDXHKOQVYDKMFI-MWLCHTKSSA-N 0 1 242.319 1.696 20 5 BDBDMN CC(C)N(CC(F)F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839711487 585337910 /nfs/dbraw/zinc/33/79/10/585337910.db2.gz NFGUDHLJTZRDSM-RNFRBKRXSA-N 0 1 236.218 1.154 20 5 BDBDMN C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC[C@@H]1C ZINC000839718855 585338359 /nfs/dbraw/zinc/33/83/59/585338359.db2.gz SQISJTMNXJHBAF-AXTSPUMRSA-N 0 1 226.276 1.156 20 5 BDBDMN C[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H]1C ZINC000839718859 585338485 /nfs/dbraw/zinc/33/84/85/585338485.db2.gz SQISJTMNXJHBAF-UTINFBMNSA-N 0 1 226.276 1.156 20 5 BDBDMN C[C@@H](CC(F)(F)F)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839726395 585338722 /nfs/dbraw/zinc/33/87/22/585338722.db2.gz UIHORYGKVVNFLS-KVQBGUIXSA-N 0 1 240.181 1.109 20 5 BDBDMN O=C(Nc1cccc2c1CCO2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839750559 585340369 /nfs/dbraw/zinc/34/03/69/585340369.db2.gz OOPBTQGFOSCBNN-PSASIEDQSA-N 0 1 248.238 1.225 20 5 BDBDMN CC(C)[C@H]1N(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1(C)C ZINC000839779890 585341817 /nfs/dbraw/zinc/34/18/17/585341817.db2.gz VBZRMIDPUZUUIJ-OPRDCNLKSA-N 0 1 240.303 1.545 20 5 BDBDMN CC(C)(C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839792011 585385167 /nfs/dbraw/zinc/38/51/67/585385167.db2.gz FRGLAWPRHRHQOE-RKDXNWHRSA-N 0 1 226.276 1.156 20 5 BDBDMN O=C(N[C@@H](C1CC1)C1CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839793634 585421627 /nfs/dbraw/zinc/42/16/27/585421627.db2.gz WAZWKVPVWQUGJK-GMTAPVOTSA-N 0 1 238.287 1.347 20 5 BDBDMN O=C(N[C@H](C1CC1)C1CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839793635 585421706 /nfs/dbraw/zinc/42/17/06/585421706.db2.gz WAZWKVPVWQUGJK-MXWKQRLJSA-N 0 1 238.287 1.347 20 5 BDBDMN C[C@@H]1CCN(CC[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000791055811 585973572 /nfs/dbraw/zinc/97/35/72/585973572.db2.gz YVDPIBJRKVYIKB-MNOVXSKESA-N 0 1 238.291 1.043 20 5 BDBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000839891549 586197930 /nfs/dbraw/zinc/19/79/30/586197930.db2.gz IDFPKQZLOOODNR-NXEZZACHSA-N 0 1 240.303 1.689 20 5 BDBDMN CC(C)N(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCC1 ZINC000840319787 586621933 /nfs/dbraw/zinc/62/19/33/586621933.db2.gz GWLPGJHKVIRGGO-GHMZBOCLSA-N 0 1 240.303 1.831 20 5 BDBDMN CCC(CC)(CC)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840362100 586895367 /nfs/dbraw/zinc/89/53/67/586895367.db2.gz ATMAIHDKUIXCSQ-RKDXNWHRSA-N 0 1 228.292 1.737 20 5 BDBDMN O=C([O-])C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000821530117 587126133 /nfs/dbraw/zinc/12/61/33/587126133.db2.gz AHMWOXXYNYHDNO-UHFFFAOYSA-N 0 1 236.227 1.038 20 5 BDBDMN O=C(OCCC[C@@H]1CCOC1)[C@@H]1CC1[N+](=O)[O-] ZINC000829278634 587490942 /nfs/dbraw/zinc/49/09/42/587490942.db2.gz NBBAKSJWTBWLJL-OPRDCNLKSA-N 0 1 243.259 1.012 20 5 BDBDMN CO[C@@H]1CCC[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000841000486 587934259 /nfs/dbraw/zinc/93/42/59/587934259.db2.gz CQSWUHGOVCMFDD-ZYUZMQFOSA-N 0 1 243.259 1.152 20 5 BDBDMN C[C@@H]1CCC[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000841004113 587934978 /nfs/dbraw/zinc/93/49/78/587934978.db2.gz MGKWENWNNLFCIL-UTINFBMNSA-N 0 1 227.260 1.774 20 5 BDBDMN CSC(C)(C)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842329104 588018383 /nfs/dbraw/zinc/01/83/83/588018383.db2.gz JZBFEBYYFBAYFY-RNFRBKRXSA-N 0 1 233.289 1.336 20 5 BDBDMN O=C(OCCC[C@@H]1CCCO1)[C@@H]1CC1[N+](=O)[O-] ZINC000842336375 588019345 /nfs/dbraw/zinc/01/93/45/588019345.db2.gz VVWFIPBYKKLJAZ-IVZWLZJFSA-N 0 1 243.259 1.154 20 5 BDBDMN CC1(COC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC000842345991 588019925 /nfs/dbraw/zinc/01/99/25/588019925.db2.gz OBEJOBUMWGDMGG-HTQZYQBOSA-N 0 1 213.233 1.385 20 5 BDBDMN CCC(CC)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842347861 588020545 /nfs/dbraw/zinc/02/05/45/588020545.db2.gz BFNANALGVZWIEN-RKDXNWHRSA-N 0 1 215.249 1.631 20 5 BDBDMN O=C(O[C@@H](C1CC1)C1CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000842376479 588022559 /nfs/dbraw/zinc/02/25/59/588022559.db2.gz ZFNUHZWXQLAFKQ-GMTAPVOTSA-N 0 1 239.271 1.774 20 5 BDBDMN O=C(OC/C=C/C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000851291395 588599547 /nfs/dbraw/zinc/59/95/47/588599547.db2.gz QNDRGWXILRSFLX-IYTQHBPKSA-N 0 1 239.149 1.313 20 5 BDBDMN CC1CC(COC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000851464545 588606395 /nfs/dbraw/zinc/60/63/95/588606395.db2.gz GUOPSUGKCYNVCR-GEPGNKONSA-N 0 1 213.233 1.241 20 5 BDBDMN C[C@H](NCCCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872016685 589856273 /nfs/dbraw/zinc/85/62/73/589856273.db2.gz MQDDBWNGEKCMSX-QMMMGPOBSA-N 0 1 242.250 1.767 20 5 BDBDMN C[C@@H](O)CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872016322 589856338 /nfs/dbraw/zinc/85/63/38/589856338.db2.gz IDFXZOZIPJGRHP-HTQZYQBOSA-N 0 1 242.250 1.765 20 5 BDBDMN Cc1ccc(CN2C[C@H]3C[C@@]3(O)C2)cc1[N+](=O)[O-] ZINC000880420570 591028428 /nfs/dbraw/zinc/02/84/28/591028428.db2.gz JPNKDCQRCLYXFS-DGCLKSJQSA-N 0 1 248.282 1.470 20 5 BDBDMN CSC1CCN(CC[N+](=O)[O-])CC1 ZINC000931377623 634379838 /nfs/dbraw/zinc/37/98/38/634379838.db2.gz PKTCJANLABQMBE-UHFFFAOYSA-N 0 1 204.295 1.091 20 5 BDBDMN O=[N+]([O-])CCN[C@H]1CCc2c1cccc2F ZINC000899873042 637148513 /nfs/dbraw/zinc/14/85/13/637148513.db2.gz GWDCLIUMHCPPBE-NSHDSACASA-N 0 1 224.235 1.679 20 5 BDBDMN CN1CCCc2cc(CNCC[N+](=O)[O-])ccc21 ZINC000905077311 637577281 /nfs/dbraw/zinc/57/72/81/637577281.db2.gz WVIAUTZCXVWTMO-UHFFFAOYSA-N 0 1 249.314 1.435 20 5 BDBDMN C[C@]1(c2ccccc2)C[C@@H]1NCC[N+](=O)[O-] ZINC000905135220 637644681 /nfs/dbraw/zinc/64/46/81/637644681.db2.gz JBICYVLJCJYRKX-NWDGAFQWSA-N 0 1 220.272 1.583 20 5 BDBDMN C[C@H](O)c1ccc(CNCC[N+](=O)[O-])cc1 ZINC000905147166 637657642 /nfs/dbraw/zinc/65/76/42/637657642.db2.gz JKNOYRSDFNMBJA-VIFPVBQESA-N 0 1 224.260 1.106 20 5 BDBDMN C[C@@H]1CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000905975842 637993430 /nfs/dbraw/zinc/99/34/30/637993430.db2.gz VVPACXGJKYVUNZ-SKDRFNHKSA-N 0 1 236.271 1.722 20 5 BDBDMN C[C@H]1CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000905975840 637993789 /nfs/dbraw/zinc/99/37/89/637993789.db2.gz VVPACXGJKYVUNZ-CABZTGNLSA-N 0 1 236.271 1.722 20 5 BDBDMN C[C@@H]1CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000905975839 637994091 /nfs/dbraw/zinc/99/40/91/637994091.db2.gz VVPACXGJKYVUNZ-BXKDBHETSA-N 0 1 236.271 1.722 20 5 BDBDMN CC(C)[C@@H]1CN(CC[N+](=O)[O-])CCCO1 ZINC000930589292 639814861 /nfs/dbraw/zinc/81/48/61/639814861.db2.gz LLKQGMJARRELSJ-JTQLQIEISA-N 0 1 216.281 1.010 20 5 BDBDMN O=[N+]([O-])CCN1CC[C@]2(CCc3ccccc32)C1 ZINC000931612849 640286355 /nfs/dbraw/zinc/28/63/55/640286355.db2.gz VHNAEGCXMCYQON-CQSZACIVSA-N 0 1 246.310 1.853 20 5 BDBDMN O=C(OCC(F)F)c1ccc([N+](=O)[O-])[nH]1 ZINC000919666490 642370599 /nfs/dbraw/zinc/37/05/99/642370599.db2.gz FULISHJHPCHHSR-UHFFFAOYSA-N 0 1 220.131 1.345 20 5 BDBDMN CCN1CC[C@H]1CNc1cccnc1[N+](=O)[O-] ZINC000712593179 712435431 /nfs/dbraw/zinc/43/54/31/712435431.db2.gz CTOSKMXVBUOKPF-VIFPVBQESA-N 0 1 236.275 1.496 20 5 BDBDMN CN1CC[C@@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000712618235 712438766 /nfs/dbraw/zinc/43/87/66/712438766.db2.gz VWEMGJVPPYNUGW-SECBINFHSA-N 0 1 239.250 1.850 20 5 BDBDMN Cc1coc(CN[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168965127 969318298 /nfs/dbraw/zinc/31/82/98/969318298.db2.gz YGLYFIPQBWVZLT-NXEZZACHSA-N 0 1 239.275 1.518 20 5 BDBDMN COCC[N@@H+](CC[N+](=O)[O-])[C@H]1CC[C@@H](C)C1 ZINC001332980983 975352215 /nfs/dbraw/zinc/35/22/15/975352215.db2.gz OVESKXKKTZVXSH-MNOVXSKESA-N 0 1 230.308 1.400 20 5 BDBDMN Cc1ccnc(COC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000840672594 961180573 /nfs/dbraw/zinc/18/05/73/961180573.db2.gz CJWROSUEIAGKDT-NXEZZACHSA-N 0 1 236.227 1.098 20 5 BDBDMN O=c1nc2ccc([N+](=O)[O-])cc2c(OC2CC2)[nH]1 ZINC001227095509 963455073 /nfs/dbraw/zinc/45/50/73/963455073.db2.gz JZZXSWKFOGHPRZ-UHFFFAOYSA-N 0 1 247.210 1.785 20 5 BDBDMN C[C@@H](N[C@@H](C)CO)c1c(F)cccc1[N+](=O)[O-] ZINC000872037474 963866395 /nfs/dbraw/zinc/86/63/95/963866395.db2.gz BXHJGYOGQRDXGC-JGVFFNPUSA-N 0 1 242.250 1.765 20 5 BDBDMN Cc1coc(CN[C@@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168965130 969317311 /nfs/dbraw/zinc/31/73/11/969317311.db2.gz YGLYFIPQBWVZLT-VHSXEESVSA-N 0 1 239.275 1.518 20 5 BDBDMN COc1ncc(Nc2cncn2C)cc1[N+](=O)[O-] ZINC001210136493 969808850 /nfs/dbraw/zinc/80/88/50/969808850.db2.gz KYQYWHZXBZPWQN-UHFFFAOYSA-N 0 1 249.230 1.476 20 5 BDBDMN O=[N+]([O-])c1cc(Nc2nnco2)ccc1O ZINC001210392144 969882228 /nfs/dbraw/zinc/88/22/28/969882228.db2.gz CGCZQCCVRGKQOV-UHFFFAOYSA-N 0 1 222.160 1.427 20 5 BDBDMN Cc1ncn(-c2ccc(C)c([N+](=O)[O-])c2)c1N ZINC001213663693 970374068 /nfs/dbraw/zinc/37/40/68/970374068.db2.gz TUJIJYRFQMFMSG-UHFFFAOYSA-N 0 1 232.243 1.980 20 5 BDBDMN Cc1ccc(-n2cncc2N)cc1[N+](=O)[O-] ZINC001213663422 970374843 /nfs/dbraw/zinc/37/48/43/970374843.db2.gz GAEPCOGVRCFAEM-UHFFFAOYSA-N 0 1 218.216 1.671 20 5 BDBDMN Cc1ncn(-c2ccc(C)cc2[N+](=O)[O-])c1N ZINC001214169320 970448756 /nfs/dbraw/zinc/44/87/56/970448756.db2.gz HFGPTMQCHDYNAY-UHFFFAOYSA-N 0 1 232.243 1.980 20 5 BDBDMN COC(=O)[C@@H](C)Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225489539 974528614 /nfs/dbraw/zinc/52/86/14/974528614.db2.gz XMDUFPXXWGGKBB-ZCFIWIBFSA-N 0 1 241.199 1.241 20 5 BDBDMN CCN1CC[C@H](Oc2ncccc2[N+](=O)[O-])C1 ZINC001225592480 974578423 /nfs/dbraw/zinc/57/84/23/974578423.db2.gz GZCCLNXFZQPCHE-VIFPVBQESA-N 0 1 237.259 1.463 20 5 BDBDMN Cc1ccnc(O[C@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC001226116210 974798706 /nfs/dbraw/zinc/79/87/06/974798706.db2.gz OOFUMDJKKHIDFK-VIFPVBQESA-N 0 1 237.259 1.381 20 5 BDBDMN Cc1cccc([N+](=O)[O-])c1O[C@@H]1CCN(C)C1 ZINC001226968585 975195109 /nfs/dbraw/zinc/19/51/09/975195109.db2.gz GYJNVHBNMJSLPY-SNVBAGLBSA-N 0 1 236.271 1.986 20 5 BDBDMN CN1CC[C@H](Oc2cnccc2[N+](=O)[O-])C1 ZINC001228880047 976549624 /nfs/dbraw/zinc/54/96/24/976549624.db2.gz PTJBKLNUCDMTRV-QMMMGPOBSA-N 0 1 223.232 1.073 20 5 BDBDMN NC(=O)c1cnoc1Nc1ccc([N+](=O)[O-])cc1 ZINC001174476994 976796273 /nfs/dbraw/zinc/79/62/73/976796273.db2.gz DTCBGKWXINECHK-UHFFFAOYSA-N 0 1 248.198 1.425 20 5 BDBDMN CC(=O)[C@@H](C)Oc1nc(C)cc(O)c1[N+](=O)[O-] ZINC001231259505 977545881 /nfs/dbraw/zinc/54/58/81/977545881.db2.gz NKCOYRCSFHAHJG-SSDOTTSWSA-N 0 1 240.215 1.360 20 5 BDBDMN C[C@@H](Cc1cccs1)N(C)CC[N+](=O)[O-] ZINC001191464051 981050932 /nfs/dbraw/zinc/05/09/32/981050932.db2.gz JHBUTAMUMFAAPM-VIFPVBQESA-N 0 1 228.317 1.888 20 5 BDBDMN CCc1cnccc1[C@H](C)NCC[N+](=O)[O-] ZINC001119808502 989415622 /nfs/dbraw/zinc/41/56/22/989415622.db2.gz WETPIBOIMAYDJU-VIFPVBQESA-N 0 1 223.276 1.571 20 5 BDBDMN Cc1c(CN2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000061708264 398343596 /nfs/dbraw/zinc/34/35/96/398343596.db2.gz JUEFAVHRKUZMNY-NSHDSACASA-N 0 1 236.271 1.470 20 5 BDBDMN CC(C)N(CCO)Cc1ccccc1[N+](=O)[O-] ZINC000049825390 187270103 /nfs/dbraw/zinc/27/01/03/187270103.db2.gz SKFLYNKBZUSVES-UHFFFAOYSA-N 0 1 238.287 1.798 20 5 BDBDMN Cc1cccc(N(C)Cc2nnc[nH]2)c1[N+](=O)[O-] ZINC000275375020 179118458 /nfs/dbraw/zinc/11/84/58/179118458.db2.gz AFCJNQJRUMFOOA-UHFFFAOYSA-N 0 1 247.258 1.658 20 5 BDBDMN Cc1nnc(NC(=O)c2ccccc2[N+](=O)[O-])[nH]1 ZINC000103254784 180013553 /nfs/dbraw/zinc/01/35/53/180013553.db2.gz GXERUKNKCNUVCW-UHFFFAOYSA-N 0 1 247.214 1.274 20 5 BDBDMN Cc1n[nH]c(NC(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000103254784 180013555 /nfs/dbraw/zinc/01/35/55/180013555.db2.gz GXERUKNKCNUVCW-UHFFFAOYSA-N 0 1 247.214 1.274 20 5 BDBDMN O=[N+]([O-])c1ccccc1CN1CCC[C@@H](O)C1 ZINC000020941363 371355179 /nfs/dbraw/zinc/35/51/79/371355179.db2.gz NXAWHKBWNHZAIB-LLVKDONJSA-N 0 1 236.271 1.552 20 5 BDBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C1CCC1 ZINC000126423114 371518961 /nfs/dbraw/zinc/51/89/61/371518961.db2.gz DFFSTHJUKZTNTQ-LURJTMIESA-N 0 1 238.247 1.236 20 5 BDBDMN O=[N+]([O-])c1ccccc1CN1CCC[C@@H]1CO ZINC000050114087 383912035 /nfs/dbraw/zinc/91/20/35/383912035.db2.gz VEKCOKWUNDVROA-LLVKDONJSA-N 0 1 236.271 1.552 20 5 BDBDMN O=[N+]([O-])c1ccccc1CN[C@@H]1CCOC1 ZINC000070969034 384486238 /nfs/dbraw/zinc/48/62/38/384486238.db2.gz RBMPHOGCULGLRU-SNVBAGLBSA-N 0 1 222.244 1.473 20 5 BDBDMN C[C@@H](CO)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000049963364 384581975 /nfs/dbraw/zinc/58/19/75/384581975.db2.gz YNRMUQCDHCCFIK-ZETCQYMHSA-N 0 1 244.678 1.719 20 5 BDBDMN CC(C)n1cc(Nc2ncc([N+](=O)[O-])cn2)cn1 ZINC000061683636 384661580 /nfs/dbraw/zinc/66/15/80/384661580.db2.gz SXHMYZASGJZXEN-UHFFFAOYSA-N 0 1 248.246 1.906 20 5 BDBDMN C[C@@H]1C[C@H](O)CN1Cc1cccc([N+](=O)[O-])c1 ZINC000340930943 384830773 /nfs/dbraw/zinc/83/07/73/384830773.db2.gz TZJWTGNBLUSSCK-SKDRFNHKSA-N 0 1 236.271 1.550 20 5 BDBDMN CC(C)c1nc(Cn2nccc2[N+](=O)[O-])n[nH]1 ZINC000291594102 385895633 /nfs/dbraw/zinc/89/56/33/385895633.db2.gz GLXSCBGPINLLHB-UHFFFAOYSA-N 0 1 236.235 1.081 20 5 BDBDMN Cc1ccc(N(C)Cc2nnc[nH]2)c([N+](=O)[O-])c1 ZINC000267900444 386598598 /nfs/dbraw/zinc/59/85/98/386598598.db2.gz FOPIDKQSDQOILH-UHFFFAOYSA-N 0 1 247.258 1.658 20 5 BDBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCCC2(CCC2)C1 ZINC000369617232 387228852 /nfs/dbraw/zinc/22/88/52/387228852.db2.gz ZDCKHHPVVXCJNU-UWVGGRQHSA-N 0 1 238.287 1.444 20 5 BDBDMN C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000035792388 387371599 /nfs/dbraw/zinc/37/15/99/387371599.db2.gz PGSAGHXPDZKDFA-YUMQZZPRSA-N 0 1 237.259 1.119 20 5 BDBDMN O=[N+]([O-])c1ccccc1CN1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000367820977 387569154 /nfs/dbraw/zinc/56/91/54/387569154.db2.gz FNTPVJIEZQJZPN-GDNZZTSVSA-N 0 1 248.282 1.265 20 5 BDBDMN Cc1ccc([N+](=O)[O-])c(NCCc2nc[nH]n2)n1 ZINC000162630960 388354448 /nfs/dbraw/zinc/35/44/48/388354448.db2.gz HXUBWKDWFXFWLM-UHFFFAOYSA-N 0 1 248.246 1.071 20 5 BDBDMN CCc1[nH]nc(C(=O)N(CC)CC)c1[N+](=O)[O-] ZINC000171370285 388403500 /nfs/dbraw/zinc/40/35/00/388403500.db2.gz MKTMHYFGBGCXJS-UHFFFAOYSA-N 0 1 240.263 1.362 20 5 BDBDMN O=[N+]([O-])c1cc(CN[C@@H]2CCOC2)cs1 ZINC000087784742 135170123 /nfs/dbraw/zinc/17/01/23/135170123.db2.gz ABOMLUBBJPLKMQ-MRVPVSSYSA-N 0 1 228.273 1.535 20 5 BDBDMN O=[N+]([O-])c1ccccc1NCCc1nc[nH]n1 ZINC000080589862 135382677 /nfs/dbraw/zinc/38/26/77/135382677.db2.gz YONHNKBKSYLZAI-UHFFFAOYSA-N 0 1 233.231 1.368 20 5 BDBDMN CC[C@H](C)N(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000330603961 171304542 /nfs/dbraw/zinc/30/45/42/171304542.db2.gz KWWGPXGYUABPPG-LURJTMIESA-N 0 1 240.263 1.497 20 5 BDBDMN COCCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000049963051 174335341 /nfs/dbraw/zinc/33/53/41/174335341.db2.gz ODXRIVUNHZRFQP-UHFFFAOYSA-N 0 1 244.678 1.984 20 5 BDBDMN COCCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443005 174336179 /nfs/dbraw/zinc/33/61/79/174336179.db2.gz MKZGZKQHSLWFPS-UHFFFAOYSA-N 0 1 244.678 1.984 20 5 BDBDMN C[C@@H](O)CN(C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000291281004 176026374 /nfs/dbraw/zinc/02/63/74/176026374.db2.gz QJVVSQQEGOJOJA-ZJUUUORDSA-N 0 1 238.287 1.968 20 5 BDBDMN C[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)C[C@H]1C ZINC000355339054 176301288 /nfs/dbraw/zinc/30/12/88/176301288.db2.gz HSSXANMUMDSVQQ-RKDXNWHRSA-N 0 1 238.291 1.416 20 5 BDBDMN C[C@H]1C[C@@H](O)CN1Cc1cccc([N+](=O)[O-])c1 ZINC000340930938 177337839 /nfs/dbraw/zinc/33/78/39/177337839.db2.gz TZJWTGNBLUSSCK-JOYOIKCWSA-N 0 1 236.271 1.550 20 5 BDBDMN CC(C)c1nc(Cn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000488279645 528255351 /nfs/dbraw/zinc/25/53/51/528255351.db2.gz KACBYQRKHYJXSJ-UHFFFAOYSA-N 0 1 236.235 1.081 20 5 BDBDMN CCCONC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000844085624 582570028 /nfs/dbraw/zinc/57/00/28/582570028.db2.gz HPAACESTHDWBIY-UHFFFAOYSA-N 0 1 240.215 1.372 20 5 BDBDMN C[C@@H](c1ccccc1)N(C)CC[N+](=O)[O-] ZINC000791052800 583385153 /nfs/dbraw/zinc/38/51/53/583385153.db2.gz DJEIXLUXTDIXAR-JTQLQIEISA-N 0 1 208.261 1.956 20 5 BDBDMN Cc1ccncc1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840670282 583402988 /nfs/dbraw/zinc/40/29/88/583402988.db2.gz FBJHCWCGLCEUMG-NXEZZACHSA-N 0 1 236.227 1.098 20 5 BDBDMN Cc1ccc(SCCNCC[N+](=O)[O-])cc1 ZINC000899859861 584242479 /nfs/dbraw/zinc/24/24/79/584242479.db2.gz FAFGPUFTZKCEAG-UHFFFAOYSA-N 0 1 240.328 1.953 20 5 BDBDMN COc1cccc(CNCC[N+](=O)[O-])c1 ZINC000899860827 584242696 /nfs/dbraw/zinc/24/26/96/584242696.db2.gz VITLMYMTQBMKLO-UHFFFAOYSA-N 0 1 210.233 1.062 20 5 BDBDMN O=[N+]([O-])CCNC[C@@H](O)c1ccc(Cl)cc1 ZINC000899867672 584243791 /nfs/dbraw/zinc/24/37/91/584243791.db2.gz XEWQDSOLMWDYPK-SNVBAGLBSA-N 0 1 244.678 1.240 20 5 BDBDMN CCOc1ccc(CNCC[N+](=O)[O-])cc1 ZINC000899876122 584245657 /nfs/dbraw/zinc/24/56/57/584245657.db2.gz MTIJAXNFUSDCDB-UHFFFAOYSA-N 0 1 224.260 1.452 20 5 BDBDMN O=[N+]([O-])c1ccccc1/C=C/CN[C@H]1CNOC1 ZINC000904426744 584881455 /nfs/dbraw/zinc/88/14/55/584881455.db2.gz HBGLUAOMZWXCQY-TZNOJPMFSA-N 0 1 249.270 1.101 20 5 BDBDMN CCc1cc(CNc2ccc([N+](=O)[O-])nc2)n[nH]1 ZINC000735487722 584977763 /nfs/dbraw/zinc/97/77/63/584977763.db2.gz XCATZNXTQSQEMZ-UHFFFAOYSA-N 0 1 247.258 1.887 20 5 BDBDMN C[C@@H]1OCC[C@@H]1OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000771050837 584995754 /nfs/dbraw/zinc/99/57/54/584995754.db2.gz GSSXWVRWKMJVLG-XPUUQOCRSA-N 0 1 240.215 1.257 20 5 BDBDMN C[C@@H]1OCC[C@H]1OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000771050823 584995883 /nfs/dbraw/zinc/99/58/83/584995883.db2.gz GSSXWVRWKMJVLG-POYBYMJQSA-N 0 1 240.215 1.257 20 5 BDBDMN CC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839508172 585105783 /nfs/dbraw/zinc/10/57/83/585105783.db2.gz FJHKKWKFHLJRHZ-GRYCIOLGSA-N 0 1 248.282 1.919 20 5 BDBDMN C[C@H]1CCCC[C@H]1N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839509300 585106213 /nfs/dbraw/zinc/10/62/13/585106213.db2.gz XHTLDSKLYWATIJ-LNFKQOIKSA-N 0 1 240.303 1.689 20 5 BDBDMN CC[C@@H](C)[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839576254 585330647 /nfs/dbraw/zinc/33/06/47/585330647.db2.gz ZVHSLCWYTKMGNN-BZNPZCIMSA-N 0 1 214.265 1.202 20 5 BDBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCC1 ZINC000839689192 585335271 /nfs/dbraw/zinc/33/52/71/585335271.db2.gz VZCJQDFKMQTISH-RKDXNWHRSA-N 0 1 212.249 1.053 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]2CCC[C@@H]21 ZINC000839692219 585335663 /nfs/dbraw/zinc/33/56/63/585335663.db2.gz JCZKMYMEARMYON-ZRUFSTJUSA-N 0 1 238.287 1.443 20 5 BDBDMN CC[C@H](C)CN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839677025 585336626 /nfs/dbraw/zinc/33/66/26/585336626.db2.gz PNXGVWIVOHUNJL-DJLDLDEBSA-N 0 1 214.265 1.156 20 5 BDBDMN C[C@H]1CCSCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839733309 585337283 /nfs/dbraw/zinc/33/72/83/585337283.db2.gz HYZXCMCXCNBOAW-DJLDLDEBSA-N 0 1 244.316 1.006 20 5 BDBDMN O=C(N[C@@H]1CC2CCC1CC2)[C@@H]1CC1[N+](=O)[O-] ZINC000839708014 585337725 /nfs/dbraw/zinc/33/77/25/585337725.db2.gz WIQMJAHKAPBERC-CUZJRPPFSA-N 0 1 238.287 1.347 20 5 BDBDMN Cc1ccncc1[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839718969 585338239 /nfs/dbraw/zinc/33/82/39/585338239.db2.gz VGHIIBOSZIQYOF-IQJOONFLSA-N 0 1 249.270 1.232 20 5 BDBDMN C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H]1C ZINC000839725891 585338579 /nfs/dbraw/zinc/33/85/79/585338579.db2.gz LPXOSGXWVJXQGC-ISUQUUIWSA-N 0 1 240.303 1.593 20 5 BDBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCC(C)(C)C1 ZINC000839748166 585340425 /nfs/dbraw/zinc/34/04/25/585340425.db2.gz PGLCJTHQQMXJSA-OPRDCNLKSA-N 0 1 240.303 1.689 20 5 BDBDMN CC1(C)CCC[C@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839780872 585341778 /nfs/dbraw/zinc/34/17/78/585341778.db2.gz XVRDGWUUQYXPQX-IVZWLZJFSA-N 0 1 240.303 1.594 20 5 BDBDMN Cc1ccc(C(=O)Nc2c[nH]nn2)cc1[N+](=O)[O-] ZINC000789927015 585953769 /nfs/dbraw/zinc/95/37/69/585953769.db2.gz NFRWKEUKPHDYGF-UHFFFAOYSA-N 0 1 247.214 1.274 20 5 BDBDMN Cc1cccc(C(=O)Nc2c[nH]nn2)c1[N+](=O)[O-] ZINC000789927060 585953910 /nfs/dbraw/zinc/95/39/10/585953910.db2.gz OSWNKWSGOSVRDG-UHFFFAOYSA-N 0 1 247.214 1.274 20 5 BDBDMN Cc1cccnc1[C@H](NCC[N+](=O)[O-])C(C)C ZINC000791055781 585973703 /nfs/dbraw/zinc/97/37/03/585973703.db2.gz XKEPDAWPMUFZNH-LLVKDONJSA-N 0 1 237.303 1.953 20 5 BDBDMN C[C@H]1CC(C)(C)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839875785 586167209 /nfs/dbraw/zinc/16/72/09/586167209.db2.gz GTZXXBLVDGFQKK-DJLDLDEBSA-N 0 1 226.276 1.299 20 5 BDBDMN CC(C)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC000840306589 586610473 /nfs/dbraw/zinc/61/04/73/586610473.db2.gz SXOXFYGMGQFUSK-NXEZZACHSA-N 0 1 228.292 1.545 20 5 BDBDMN O=C(OC[C@H]1CC1(F)F)c1ccc([N+](=O)[O-])[nH]1 ZINC000816419694 586727460 /nfs/dbraw/zinc/72/74/60/586727460.db2.gz WETNPTFFOPZCGM-RXMQYKEDSA-N 0 1 246.169 1.735 20 5 BDBDMN CC(C)[C@@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840353154 586868834 /nfs/dbraw/zinc/86/88/34/586868834.db2.gz AJCSAKJUTDYFTJ-OUAUKWLOSA-N 0 1 240.303 1.689 20 5 BDBDMN COCCCCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840670267 587915598 /nfs/dbraw/zinc/91/55/98/587915598.db2.gz DWZCNHOEXIRAKB-RKDXNWHRSA-N 0 1 231.248 1.012 20 5 BDBDMN O=C(OCC1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000840671221 587915900 /nfs/dbraw/zinc/91/59/00/587915900.db2.gz QEOGMFVWAHJOFG-NXEZZACHSA-N 0 1 227.260 1.775 20 5 BDBDMN CC(C)C[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840674535 587916211 /nfs/dbraw/zinc/91/62/11/587916211.db2.gz MHLOKIMXQJOURV-DJLDLDEBSA-N 0 1 215.249 1.629 20 5 BDBDMN CC(=O)c1cccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000841011382 587935190 /nfs/dbraw/zinc/93/51/90/587935190.db2.gz OXBTVBXFQNHDCO-GHMZBOCLSA-N 0 1 249.222 1.460 20 5 BDBDMN O=C(Oc1c(F)cccc1F)[C@@H]1CC1[N+](=O)[O-] ZINC000841014851 587935704 /nfs/dbraw/zinc/93/57/04/587935704.db2.gz QPJRHZLDMUPPCH-SVGQVSJJSA-N 0 1 243.165 1.535 20 5 BDBDMN CC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000841364114 587952462 /nfs/dbraw/zinc/95/24/62/587952462.db2.gz YJOSXPWQWKWNGY-ZYUZMQFOSA-N 0 1 240.303 1.593 20 5 BDBDMN CCc1cccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000842283066 588012816 /nfs/dbraw/zinc/01/28/16/588012816.db2.gz ODJJDNMDDFHVQL-GHMZBOCLSA-N 0 1 235.239 1.820 20 5 BDBDMN CS[C@H](C)[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842345724 588020069 /nfs/dbraw/zinc/02/00/69/588020069.db2.gz AUXYYTHEUUQOPV-LXGUWJNJSA-N 0 1 233.289 1.335 20 5 BDBDMN CCC/C=C\COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842363722 588021357 /nfs/dbraw/zinc/02/13/57/588021357.db2.gz BLFHQXKXBIDDTH-UVSMVFJQSA-N 0 1 213.233 1.551 20 5 BDBDMN CSC[C@H](C)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842368788 588021921 /nfs/dbraw/zinc/02/19/21/588021921.db2.gz BGKVXXZOWWESFP-BWZBUEFSSA-N 0 1 233.289 1.194 20 5 BDBDMN CSCC[C@@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842374976 588022476 /nfs/dbraw/zinc/02/24/76/588022476.db2.gz ZAUWXBOUWXDNBJ-BWZBUEFSSA-N 0 1 233.289 1.336 20 5 BDBDMN CNCc1nc(-c2cccc([N+](=O)[O-])c2C)no1 ZINC000843237786 588094743 /nfs/dbraw/zinc/09/47/43/588094743.db2.gz HCGRSOQRPRKRSM-UHFFFAOYSA-N 0 1 248.242 1.673 20 5 BDBDMN O=C(OC[C@@H]1CC[C@H]2C[C@H]2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000845770243 588244390 /nfs/dbraw/zinc/24/43/90/588244390.db2.gz SNRSVEDEPCRTOY-RCZSTQMZSA-N 0 1 239.271 1.631 20 5 BDBDMN C[C@@]1(COC(=O)[C@@H]2CC2[N+](=O)[O-])CCCOC1 ZINC000861049819 589141134 /nfs/dbraw/zinc/14/11/34/589141134.db2.gz SZAZLHLCBYLYBL-FXPVBKGRSA-N 0 1 243.259 1.012 20 5 BDBDMN O=C(Nc1cccc2c1OCC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000862692718 589232868 /nfs/dbraw/zinc/23/28/68/589232868.db2.gz UQXHIVPMKGUGKI-PSASIEDQSA-N 0 1 248.238 1.225 20 5 BDBDMN C=C/C=C\CCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000884550732 591973393 /nfs/dbraw/zinc/97/33/93/591973393.db2.gz KOBYAVZZZDCLPV-UREXNXCXSA-N 0 1 211.217 1.327 20 5 BDBDMN C[C@@H]1CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000885980001 592119655 /nfs/dbraw/zinc/11/96/55/592119655.db2.gz QRCGNYACMYPREA-SECBINFHSA-N 0 1 221.260 1.832 20 5 BDBDMN C[C@@H]1CSCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000889927970 592662997 /nfs/dbraw/zinc/66/29/97/592662997.db2.gz FBWHKNCJXVPENP-IWSPIJDZSA-N 0 1 244.316 1.006 20 5 BDBDMN CO[C@@H]1CCN(CC[N+](=O)[O-])CC1(C)C ZINC000930643292 633974246 /nfs/dbraw/zinc/97/42/46/633974246.db2.gz UICFLVKPHIGHKZ-SECBINFHSA-N 0 1 216.281 1.010 20 5 BDBDMN O=[N+]([O-])CCN[C@H]1CCCOc2ccccc21 ZINC000905079511 637580629 /nfs/dbraw/zinc/58/06/29/637580629.db2.gz JRTVUBFLIWOWDT-NSHDSACASA-N 0 1 236.271 1.767 20 5 BDBDMN CC(C)(O)c1ccc(CNCC[N+](=O)[O-])cc1 ZINC000905221078 637701723 /nfs/dbraw/zinc/70/17/23/637701723.db2.gz VNQCMVCBUDWRST-UHFFFAOYSA-N 0 1 238.287 1.280 20 5 BDBDMN Cc1cccc2c1OC[C@H](NCC[N+](=O)[O-])C2 ZINC000905263217 637717541 /nfs/dbraw/zinc/71/75/41/637717541.db2.gz LLGLCGXPESDBRG-LLVKDONJSA-N 0 1 236.271 1.165 20 5 BDBDMN C[C@@H](NCC[N+](=O)[O-])[C@@H](O)c1cccc(F)c1 ZINC000905363844 637788239 /nfs/dbraw/zinc/78/82/39/637788239.db2.gz GXKDTLQVAFYFFQ-LDYMZIIASA-N 0 1 242.250 1.114 20 5 BDBDMN C[C@H]1Cc2cc(CNCC[N+](=O)[O-])ccc2O1 ZINC000905566430 637848370 /nfs/dbraw/zinc/84/83/70/637848370.db2.gz WCSRNCLJVHAZHF-VIFPVBQESA-N 0 1 236.271 1.376 20 5 BDBDMN C[C@@H](CN(C)CC[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000930705265 639870638 /nfs/dbraw/zinc/87/06/38/639870638.db2.gz HKYZOVRUCDAFGF-VIFPVBQESA-N 0 1 246.307 1.173 20 5 BDBDMN O=[N+]([O-])CCN1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000930714337 639875401 /nfs/dbraw/zinc/87/54/01/639875401.db2.gz DENPJCLBBWVANX-VXGBXAGGSA-N 0 1 236.271 1.071 20 5 BDBDMN O=[N+]([O-])CCN[C@@H]1CCO[C@H]1c1ccccc1 ZINC000931374803 640169377 /nfs/dbraw/zinc/16/93/77/640169377.db2.gz PTKLWYGFFJXUEY-NEPJUHHUSA-N 0 1 236.271 1.383 20 5 BDBDMN O=C(NCC[C@@H]1CC[C@H]2C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC000927478905 645622230 /nfs/dbraw/zinc/62/22/30/645622230.db2.gz JDERTSPTXGDOKN-LADJIXMOSA-N 0 1 238.287 1.204 20 5 BDBDMN O=[N+]([O-])CCN1CC[C@H](c2ccco2)C1 ZINC000929617825 646201602 /nfs/dbraw/zinc/20/16/02/646201602.db2.gz KXTFIRJEZMFWHS-VIFPVBQESA-N 0 1 210.233 1.346 20 5 BDBDMN CCOC[C@@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000929644966 646218428 /nfs/dbraw/zinc/21/84/28/646218428.db2.gz YUOMSPCSYRZKMI-SNVBAGLBSA-N 0 1 216.281 1.012 20 5 BDBDMN C[C@@H]1CN(CC[N+](=O)[O-])C[C@H](C)S1 ZINC000929724895 646274073 /nfs/dbraw/zinc/27/40/73/646274073.db2.gz FECSODQFASXJST-OCAPTIKFSA-N 0 1 204.295 1.089 20 5 BDBDMN CC(C)(NCC[N+](=O)[O-])c1ccc(F)cc1 ZINC000929964371 646379056 /nfs/dbraw/zinc/37/90/56/646379056.db2.gz XTDNNVCZBMRUIL-UHFFFAOYSA-N 0 1 226.251 1.927 20 5 BDBDMN CCCN(CC[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000929967534 646380281 /nfs/dbraw/zinc/38/02/81/646380281.db2.gz AVZDOWHHZQEVHR-LLVKDONJSA-N 0 1 230.308 1.544 20 5 BDBDMN CN1CC[C@@H]1CNc1cccc(F)c1[N+](=O)[O-] ZINC000712614344 712438001 /nfs/dbraw/zinc/43/80/01/712438001.db2.gz LBXKOMMQBRBISQ-MRVPVSSYSA-N 0 1 239.250 1.850 20 5 BDBDMN O=[N+]([O-])C[C@H]1CC[C@@H](NCc2ncco2)C1 ZINC001168959577 969309902 /nfs/dbraw/zinc/30/99/02/969309902.db2.gz WXMZMORSLRJGIE-DTWKUNHWSA-N 0 1 225.248 1.210 20 5 BDBDMN C[C@@H]1COCCN1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169007701 969334738 /nfs/dbraw/zinc/33/47/38/969334738.db2.gz PMCPJQUYMZNWBZ-OUAUKWLOSA-N 0 1 228.292 1.153 20 5 BDBDMN C[C@@H](Cc1ccsc1)N(C)CC[N+](=O)[O-] ZINC001167582185 958943309 /nfs/dbraw/zinc/94/33/09/958943309.db2.gz LYDWSFWFJPAPAG-VIFPVBQESA-N 0 1 228.317 1.888 20 5 BDBDMN Cc1nc(N2CCN3CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001158425313 963869090 /nfs/dbraw/zinc/86/90/90/963869090.db2.gz OMKXQLGDIRCTDN-SNVBAGLBSA-N 0 1 248.286 1.193 20 5 BDBDMN Cc1coc(CN[C@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168965129 969317462 /nfs/dbraw/zinc/31/74/62/969317462.db2.gz YGLYFIPQBWVZLT-UWVGGRQHSA-N 0 1 239.275 1.518 20 5 BDBDMN C[C@@H]1COCCN1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169007702 969335730 /nfs/dbraw/zinc/33/57/30/969335730.db2.gz PMCPJQUYMZNWBZ-VWYCJHECSA-N 0 1 228.292 1.153 20 5 BDBDMN Cc1[nH+]cn(-c2ccc([O-])c([N+](=O)[O-])c2)c1N ZINC001210396660 969884995 /nfs/dbraw/zinc/88/49/95/969884995.db2.gz WDPVNBQECAJLBJ-UHFFFAOYSA-N 0 1 234.215 1.377 20 5 BDBDMN CCc1nnc(-c2cc(O)cc([N+](=O)[O-])c2)o1 ZINC001255137860 969951093 /nfs/dbraw/zinc/95/10/93/969951093.db2.gz BGJFYACQKAYWJK-UHFFFAOYSA-N 0 1 235.199 1.913 20 5 BDBDMN C[C@@H]1CCN(CC[N+](=O)[O-])CCS1 ZINC001341359080 979351705 /nfs/dbraw/zinc/35/17/05/979351705.db2.gz IGHRYKOUKNSMKZ-MRVPVSSYSA-N 0 1 204.295 1.091 20 5 BDBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccoc1 ZINC001518101993 989282943 /nfs/dbraw/zinc/28/29/43/989282943.db2.gz KZWJWVDDHYDCPP-NBEYISGCSA-N 0 1 225.200 1.549 20 5 BDBDMN CCN(OC)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001263937729 993617029 /nfs/dbraw/zinc/61/70/29/993617029.db2.gz OPHYLAVXMOOUJY-UHFFFAOYSA-N 0 1 240.215 1.324 20 5 BDBDMN O=C(Nc1cnoc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000613921760 345948345 /nfs/dbraw/zinc/94/83/45/345948345.db2.gz YXTNXTDSUAXWIH-UHFFFAOYSA-N 0 1 249.182 1.541 20 5 BDBDMN O=[N+]([O-])c1cc(CN[C@H](CO)CCF)cs1 ZINC000593689239 347927799 /nfs/dbraw/zinc/92/77/99/347927799.db2.gz MCWXZWQDRHZYMM-QMMMGPOBSA-N 0 1 248.279 1.466 20 5 BDBDMN Cc1cc(NCc2nnc[nH]2)c([N+](=O)[O-])s1 ZINC000596087748 348443116 /nfs/dbraw/zinc/44/31/16/348443116.db2.gz IJIJMVOQJGEXDU-UHFFFAOYSA-N 0 1 239.260 1.695 20 5 BDBDMN CC[C@H](C)CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000597979437 348859910 /nfs/dbraw/zinc/85/99/10/348859910.db2.gz VUAJCTOZPJCVBQ-ZETCQYMHSA-N 0 1 240.263 1.484 20 5 BDBDMN CCNCc1cn(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000090299882 363033739 /nfs/dbraw/zinc/03/37/39/363033739.db2.gz HMIQGGIWLZLEND-UHFFFAOYSA-N 0 1 247.258 1.285 20 5 BDBDMN O=[N+]([O-])c1ccc(CNCc2cn[nH]c2)cc1 ZINC000038006012 361374858 /nfs/dbraw/zinc/37/48/58/361374858.db2.gz GJHPFUAIJJSUTM-UHFFFAOYSA-N 0 1 232.243 1.608 20 5 BDBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(C)(C)C ZINC000154699103 371146883 /nfs/dbraw/zinc/14/68/83/371146883.db2.gz GRSHUDLBKROQMK-ZCFIWIBFSA-N 0 1 240.263 1.482 20 5 BDBDMN C[C@H]1CCCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602427768 371802742 /nfs/dbraw/zinc/80/27/42/371802742.db2.gz APSOCBOQSGCHQU-VIFPVBQESA-N 0 1 238.291 1.560 20 5 BDBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H]2C[C@@]2(O)C1 ZINC000603085999 371866192 /nfs/dbraw/zinc/86/61/92/371866192.db2.gz CRPDOOOLNRYJEV-GIPNMCIBSA-N 0 1 248.282 1.722 20 5 BDBDMN O=C(Nc1nc[nH]n1)c1ccc([N+](=O)[O-])s1 ZINC000023142468 182397868 /nfs/dbraw/zinc/39/78/68/182397868.db2.gz ZAOACPBEFXHESJ-UHFFFAOYSA-N 0 1 239.216 1.027 20 5 BDBDMN CCCN(C)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000171806064 169063122 /nfs/dbraw/zinc/06/31/22/169063122.db2.gz LRJVDBYPEHZGSC-UHFFFAOYSA-N 0 1 240.263 1.362 20 5 BDBDMN O=[N+]([O-])c1ccccc1CNC[C@H](O)C(F)F ZINC000226577269 134366867 /nfs/dbraw/zinc/36/68/67/134366867.db2.gz HCPANKMNTAQVIA-VIFPVBQESA-N 0 1 246.213 1.310 20 5 BDBDMN Cc1c[nH]nc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000289795371 384282521 /nfs/dbraw/zinc/28/25/21/384282521.db2.gz HYUJVUNTJXBWLG-UHFFFAOYSA-N 0 1 246.270 1.916 20 5 BDBDMN Cc1cc(C)c([N+](=O)[O-])c(NCc2nnc[nH]2)n1 ZINC000359080054 384376522 /nfs/dbraw/zinc/37/65/22/384376522.db2.gz DTCDGIYOIBZGDS-UHFFFAOYSA-N 0 1 248.246 1.337 20 5 BDBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCCC2(CC2)C1 ZINC000364284249 385322016 /nfs/dbraw/zinc/32/20/16/385322016.db2.gz UYPMXQFASXNGNI-IUCAKERBSA-N 0 1 224.260 1.054 20 5 BDBDMN C[C@@H](O)CN(C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000291281001 385852831 /nfs/dbraw/zinc/85/28/31/385852831.db2.gz QJVVSQQEGOJOJA-NXEZZACHSA-N 0 1 238.287 1.968 20 5 BDBDMN C[C@H](Nc1ncc([N+](=O)[O-])s1)c1nnc[nH]1 ZINC000190338049 386668292 /nfs/dbraw/zinc/66/82/92/386668292.db2.gz CZWJSOQCNBRLIZ-BYPYZUCNSA-N 0 1 240.248 1.343 20 5 BDBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CC(C2CCCC2)C1 ZINC000372976054 388085117 /nfs/dbraw/zinc/08/51/17/388085117.db2.gz DKFKTVPNOGTNKE-WDEREUQCSA-N 0 1 238.287 1.300 20 5 BDBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CC[C@H]2O)c(F)c1 ZINC000424208807 388695192 /nfs/dbraw/zinc/69/51/92/388695192.db2.gz ZXXCDNHIKYIKQT-GHMZBOCLSA-N 0 1 240.234 1.347 20 5 BDBDMN CCC(C)(C)N(C)Cc1c([N+](=O)[O-])ncn1C ZINC000330963365 168285858 /nfs/dbraw/zinc/28/58/58/168285858.db2.gz CQFKVHBAOXMBHE-UHFFFAOYSA-N 0 1 240.307 1.949 20 5 BDBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccnc1 ZINC000840671413 583407037 /nfs/dbraw/zinc/40/70/37/583407037.db2.gz UJFQIWWZXQTVMU-SZEHBUNVSA-N 0 1 236.227 1.351 20 5 BDBDMN Cc1csc(COC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000840671193 583407054 /nfs/dbraw/zinc/40/70/54/583407054.db2.gz OTTRIJHNYJZDDX-RNFRBKRXSA-N 0 1 242.256 1.160 20 5 BDBDMN C[C@@H]1CC=CC[C@@H]1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841004003 584003455 /nfs/dbraw/zinc/00/34/55/584003455.db2.gz JUBOTWFRHNOMAJ-GWOFURMSSA-N 0 1 239.271 1.797 20 5 BDBDMN O=[N+]([O-])CCNCCOc1ccccc1F ZINC000899859963 584242491 /nfs/dbraw/zinc/24/24/91/584242491.db2.gz OBAQNLRUENCYFP-UHFFFAOYSA-N 0 1 228.223 1.071 20 5 BDBDMN O=[N+]([O-])CCN1CC(C2CCCCC2)C1 ZINC000899885382 584246580 /nfs/dbraw/zinc/24/65/80/584246580.db2.gz ANIXXHXBBQLWJI-UHFFFAOYSA-N 0 1 212.293 1.775 20 5 BDBDMN CC(C)CCC[C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839484389 585105253 /nfs/dbraw/zinc/10/52/53/585105253.db2.gz CHNMKCKLJFNJQF-GMTAPVOTSA-N 0 1 242.319 1.983 20 5 BDBDMN C[C@H]1CCC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839510275 585106053 /nfs/dbraw/zinc/10/60/53/585106053.db2.gz YNSVGSXIMSHKJI-SGIHWFKDSA-N 0 1 226.276 1.347 20 5 BDBDMN CC(C)[C@@H]1CCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000755919616 585310683 /nfs/dbraw/zinc/31/06/83/585310683.db2.gz JDNFIEPIBCNTHV-SNVBAGLBSA-N 0 1 238.291 1.727 20 5 BDBDMN CC[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839690631 585335295 /nfs/dbraw/zinc/33/52/95/585335295.db2.gz FAOIJZRISRPHLF-LMLFDSFASA-N 0 1 240.303 1.737 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]2CCC[C@@H]21 ZINC000839692216 585335396 /nfs/dbraw/zinc/33/53/96/585335396.db2.gz JCZKMYMEARMYON-CHWFTXMASA-N 0 1 238.287 1.443 20 5 BDBDMN CC[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCS1 ZINC000839696637 585335627 /nfs/dbraw/zinc/33/56/27/585335627.db2.gz LWQVIKCYCFGQCS-IWSPIJDZSA-N 0 1 244.316 1.006 20 5 BDBDMN O=C(N[C@H]1CCCC(F)(F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839705138 585337768 /nfs/dbraw/zinc/33/77/68/585337768.db2.gz DNIPICPHGHTELS-XLPZGREQSA-N 0 1 248.229 1.346 20 5 BDBDMN C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC(C)(C)C1 ZINC000839724779 585338739 /nfs/dbraw/zinc/33/87/39/585338739.db2.gz RIRKOQRQIGKKEC-OPRDCNLKSA-N 0 1 240.303 1.546 20 5 BDBDMN CN(C[C@@H]1CC=CCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839723209 585338796 /nfs/dbraw/zinc/33/87/96/585338796.db2.gz GULOZABUZKGEHT-GMTAPVOTSA-N 0 1 238.287 1.466 20 5 BDBDMN C[C@H]1CCC[C@@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839754856 585340433 /nfs/dbraw/zinc/34/04/33/585340433.db2.gz XFWZKGVKTGWCPH-SGIHWFKDSA-N 0 1 226.276 1.204 20 5 BDBDMN C[C@H](CC(C)(C)C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839790757 585347248 /nfs/dbraw/zinc/34/72/48/585347248.db2.gz FWCYHZYCDNUTPE-IWSPIJDZSA-N 0 1 228.292 1.593 20 5 BDBDMN C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CCN1C ZINC000761076215 585405838 /nfs/dbraw/zinc/40/58/38/585405838.db2.gz JMCOGTGSIJXBAH-NSHDSACASA-N 0 1 249.314 1.731 20 5 BDBDMN CC(C)[C@@]1(C)C[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839800031 585533981 /nfs/dbraw/zinc/53/39/81/585533981.db2.gz UHCMSIAABRLRHE-TURQNECASA-N 0 1 226.276 1.202 20 5 BDBDMN CC(C)[C@@]1(C)C[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839800030 585534087 /nfs/dbraw/zinc/53/40/87/585534087.db2.gz UHCMSIAABRLRHE-SDNRWEOFSA-N 0 1 226.276 1.202 20 5 BDBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCCCC1 ZINC000840252567 586574972 /nfs/dbraw/zinc/57/49/72/586574972.db2.gz GRIISFQFHQMWJT-GHMZBOCLSA-N 0 1 240.303 1.833 20 5 BDBDMN CCC(CC)N(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000840309176 586611199 /nfs/dbraw/zinc/61/11/99/586611199.db2.gz IUWONICKKNZHEX-GHMZBOCLSA-N 0 1 240.303 1.831 20 5 BDBDMN CC[C@H](C(=O)O[C@H](C)C[N+](=O)[O-])N(CC)CC ZINC000814039338 586612388 /nfs/dbraw/zinc/61/23/88/586612388.db2.gz NWPNNHFZBXCFDM-NXEZZACHSA-N 0 1 246.307 1.315 20 5 BDBDMN COCC1(COC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC000840674575 587916241 /nfs/dbraw/zinc/91/62/41/587916241.db2.gz MVGSSGLMJIFHQP-RKDXNWHRSA-N 0 1 243.259 1.012 20 5 BDBDMN O=C(OCC1CC(F)(F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000840674708 587916401 /nfs/dbraw/zinc/91/64/01/587916401.db2.gz OZKQQDVCZVMIEE-RNFRBKRXSA-N 0 1 235.186 1.240 20 5 BDBDMN C[C@@H]1[C@@H](C)[C@H](C)CN1Cn1nccc1[N+](=O)[O-] ZINC000841688898 587972005 /nfs/dbraw/zinc/97/20/05/587972005.db2.gz HUVZACNFVJNSND-KXUCPTDWSA-N 0 1 238.291 1.725 20 5 BDBDMN C[C@@H]1CN(Cn2nccc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000841688902 587972174 /nfs/dbraw/zinc/97/21/74/587972174.db2.gz HUVZACNFVJNSND-UTLUCORTSA-N 0 1 238.291 1.725 20 5 BDBDMN CC(C)[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842321193 588017057 /nfs/dbraw/zinc/01/70/57/588017057.db2.gz LMXXOWLDMPGQFL-XLPZGREQSA-N 0 1 201.222 1.239 20 5 BDBDMN CC(C)[C@@H]1C[C@@H]1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842335832 588019189 /nfs/dbraw/zinc/01/91/89/588019189.db2.gz GMHSOCUDSMCFPD-UTINFBMNSA-N 0 1 227.260 1.487 20 5 BDBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1cscn1 ZINC000847816540 588332797 /nfs/dbraw/zinc/33/27/97/588332797.db2.gz AJRUDRDMQJHCFB-SHYZEUOFSA-N 0 1 242.256 1.413 20 5 BDBDMN O=C(OC[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000851222729 588597309 /nfs/dbraw/zinc/59/73/09/588597309.db2.gz MLYIKVGUMWGHIM-JDDHQFAOSA-N 0 1 225.244 1.241 20 5 BDBDMN O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000862375284 589205587 /nfs/dbraw/zinc/20/55/87/589205587.db2.gz MKMIONDEDZWYKV-RCZSTQMZSA-N 0 1 238.287 1.204 20 5 BDBDMN O=C(NCC[C@@H]1CCCS1)[C@@H]1CC1[N+](=O)[O-] ZINC000871038262 589717767 /nfs/dbraw/zinc/71/77/67/589717767.db2.gz IWGOCZWSPASEBA-DJLDLDEBSA-N 0 1 244.316 1.054 20 5 BDBDMN Cc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cs1 ZINC000871116866 589729383 /nfs/dbraw/zinc/72/93/83/589729383.db2.gz IHNFVCBYJZDABH-HTQZYQBOSA-N 0 1 226.257 1.660 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H]2CCC[C@@H]21 ZINC000890235756 592015528 /nfs/dbraw/zinc/01/55/28/592015528.db2.gz RZAJCCPTDYBRGV-QCLAVDOMSA-N 0 1 224.260 1.053 20 5 BDBDMN CO[C@@H](C)CCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000744308787 632782900 /nfs/dbraw/zinc/78/29/00/632782900.db2.gz RKVZXAQMSACPML-ZETCQYMHSA-N 0 1 242.231 1.505 20 5 BDBDMN CN[C@@H](C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000054053211 635339267 /nfs/dbraw/zinc/33/92/67/635339267.db2.gz KTIZGPNSPGNQFH-ZETCQYMHSA-N 0 1 248.242 1.925 20 5 BDBDMN CC(C)[C@H]1N(CC[N+](=O)[O-])CC1(C)C ZINC000899886188 637147547 /nfs/dbraw/zinc/14/75/47/637147547.db2.gz SAQVQULSHITBKT-SECBINFHSA-N 0 1 200.282 1.630 20 5 BDBDMN CC(C)[C@@H]1N(CC[N+](=O)[O-])CC1(C)C ZINC000899886189 637148321 /nfs/dbraw/zinc/14/83/21/637148321.db2.gz SAQVQULSHITBKT-VIFPVBQESA-N 0 1 200.282 1.630 20 5 BDBDMN CC(C)Oc1cccc(CNCC[N+](=O)[O-])c1 ZINC000905052176 637569083 /nfs/dbraw/zinc/56/90/83/637569083.db2.gz MYDULDPJDIVWGG-UHFFFAOYSA-N 0 1 238.287 1.840 20 5 BDBDMN O=[N+]([O-])CCNCc1ccccc1-n1cccn1 ZINC000905069670 637601840 /nfs/dbraw/zinc/60/18/40/637601840.db2.gz FPECUZBDONZDOP-UHFFFAOYSA-N 0 1 246.270 1.239 20 5 BDBDMN O=[N+]([O-])CCNCc1coc2ccccc12 ZINC000905118051 637623569 /nfs/dbraw/zinc/62/35/69/637623569.db2.gz UMBFKHDZLAUVHG-UHFFFAOYSA-N 0 1 220.228 1.799 20 5 BDBDMN C[C@@]1(c2ccccc2)C[C@@H]1NCC[N+](=O)[O-] ZINC000905135221 637643709 /nfs/dbraw/zinc/64/37/09/637643709.db2.gz JBICYVLJCJYRKX-RYUDHWBXSA-N 0 1 220.272 1.583 20 5 BDBDMN C[C@@H](CNCC[N+](=O)[O-])Oc1ccccc1F ZINC000905138340 637645668 /nfs/dbraw/zinc/64/56/68/637645668.db2.gz PZJUERVOKJPEKK-VIFPVBQESA-N 0 1 242.250 1.459 20 5 BDBDMN Cc1ccccc1O[C@H](C)CNCC[N+](=O)[O-] ZINC000905136475 637646026 /nfs/dbraw/zinc/64/60/26/637646026.db2.gz KYCIAETVTFVIDH-LLVKDONJSA-N 0 1 238.287 1.629 20 5 BDBDMN Cc1noc(C)c1C[C@H](C)NCC[N+](=O)[O-] ZINC000905136852 637646063 /nfs/dbraw/zinc/64/60/63/637646063.db2.gz RTKVLGUNBQQWFD-ZETCQYMHSA-N 0 1 227.264 1.089 20 5 BDBDMN Cc1noc(C)c1C[C@@H](C)NCC[N+](=O)[O-] ZINC000905136851 637646561 /nfs/dbraw/zinc/64/65/61/637646561.db2.gz RTKVLGUNBQQWFD-SSDOTTSWSA-N 0 1 227.264 1.089 20 5 BDBDMN C[C@H](CNCC[N+](=O)[O-])Oc1ccc(F)cc1 ZINC000905140807 637648979 /nfs/dbraw/zinc/64/89/79/637648979.db2.gz XPOKCMLHUIDBNF-SECBINFHSA-N 0 1 242.250 1.459 20 5 BDBDMN O=C(CCNCC[N+](=O)[O-])OC1CCCCC1 ZINC000905253797 637713091 /nfs/dbraw/zinc/71/30/91/637713091.db2.gz HBQBEXCRCGZOEO-UHFFFAOYSA-N 0 1 244.291 1.119 20 5 BDBDMN O=[N+]([O-])CCN[C@@H]1C[C@H]1c1ccsc1 ZINC000905394341 637807105 /nfs/dbraw/zinc/80/71/05/637807105.db2.gz GALZAYASHACBJV-DTWKUNHWSA-N 0 1 212.274 1.470 20 5 BDBDMN CCOC[C@@H]1CCCCN1CC[N+](=O)[O-] ZINC000930696314 639864282 /nfs/dbraw/zinc/86/42/82/639864282.db2.gz FNRJBOPLUCRRBU-JTQLQIEISA-N 0 1 216.281 1.154 20 5 BDBDMN Cc1ccccc1C1(NCC[N+](=O)[O-])CC1 ZINC000930814571 639916726 /nfs/dbraw/zinc/91/67/26/639916726.db2.gz NBUXWUQPKGWJDE-UHFFFAOYSA-N 0 1 220.272 1.850 20 5 BDBDMN O=[N+]([O-])CCN1CC[C@@]2(CCc3ccccc32)C1 ZINC000931612848 640288041 /nfs/dbraw/zinc/28/80/41/640288041.db2.gz VHNAEGCXMCYQON-AWEZNQCLSA-N 0 1 246.310 1.853 20 5 BDBDMN O=C(NC1(C2CCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000844882835 645346463 /nfs/dbraw/zinc/34/64/63/645346463.db2.gz SNFHULNKYDFDEZ-RKDXNWHRSA-N 0 1 224.260 1.101 20 5 BDBDMN CN1CC[C@H]1CNc1cccnc1[N+](=O)[O-] ZINC000712593775 712435594 /nfs/dbraw/zinc/43/55/94/712435594.db2.gz ILLIOGFLRRPZDH-QMMMGPOBSA-N 0 1 222.248 1.106 20 5 BDBDMN CCN1CC[C@H]1CNc1ncccc1[N+](=O)[O-] ZINC000712594323 712435466 /nfs/dbraw/zinc/43/54/66/712435466.db2.gz LFDKDNOGQWDAQI-VIFPVBQESA-N 0 1 236.275 1.496 20 5 BDBDMN CO[C@H]1CN([C@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1F ZINC001169006412 969328625 /nfs/dbraw/zinc/32/86/25/969328625.db2.gz HZWFFJUTNIFJHC-NAKRPEOUSA-N 0 1 246.282 1.101 20 5 BDBDMN CC[C@@H](C[N+](=O)[O-])OC(=O)[C@H](C(C)C)N(C)C ZINC001345689661 980671333 /nfs/dbraw/zinc/67/13/33/980671333.db2.gz LXLOGEOAYWROBC-UWVGGRQHSA-N 0 1 246.307 1.171 20 5 BDBDMN Cc1nc(N2CC3(CN(C)C3)C2)ccc1[N+](=O)[O-] ZINC001158859854 971517669 /nfs/dbraw/zinc/51/76/69/971517669.db2.gz PALBHQLINGJANG-UHFFFAOYSA-N 0 1 248.286 1.050 20 5 BDBDMN COc1ncc(Nc2nccn2C)cc1[N+](=O)[O-] ZINC001210135060 957647916 /nfs/dbraw/zinc/64/79/16/957647916.db2.gz MGMLAGBDCFVNSP-UHFFFAOYSA-N 0 1 249.230 1.476 20 5 BDBDMN Cn1cccc1-c1nnc([C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001327026234 972370722 /nfs/dbraw/zinc/37/07/22/972370722.db2.gz LEQISCXKZSCDFH-HTRCEHHLSA-N 0 1 234.215 1.208 20 5 BDBDMN C[N@@H+](CCF)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254610460 969747927 /nfs/dbraw/zinc/74/79/27/969747927.db2.gz LXLHMQDUPHGXSO-GFCCVEGCSA-N 0 1 238.262 1.963 20 5 BDBDMN CN(CCF)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254610460 969747935 /nfs/dbraw/zinc/74/79/35/969747935.db2.gz LXLHMQDUPHGXSO-GFCCVEGCSA-N 0 1 238.262 1.963 20 5 BDBDMN Nc1cncn1-c1cccc([N+](=O)[O-])c1F ZINC001210380498 969880952 /nfs/dbraw/zinc/88/09/52/969880952.db2.gz DKKSLISOFWVXRB-UHFFFAOYSA-N 0 1 222.179 1.502 20 5 BDBDMN O=[N+]([O-])c1ccc2c(c1)CN(Cc1nnc[nH]1)C2 ZINC001327513569 972605764 /nfs/dbraw/zinc/60/57/64/972605764.db2.gz XQTTZTWVYGBKLK-UHFFFAOYSA-N 0 1 245.242 1.229 20 5 BDBDMN Cc1nc(N(C)Cc2cnc[nH]2)ncc1[N+](=O)[O-] ZINC001328574404 973150358 /nfs/dbraw/zinc/15/03/58/973150358.db2.gz RMQQHJXFLZVHTL-UHFFFAOYSA-N 0 1 248.246 1.053 20 5 BDBDMN CN1CC[C@H](Oc2c(O)cccc2[N+](=O)[O-])C1 ZINC001226335586 974863155 /nfs/dbraw/zinc/86/31/55/974863155.db2.gz JGWHUZCACWTKJC-QMMMGPOBSA-N 0 1 238.243 1.383 20 5 BDBDMN CN1CC[C@H](Oc2ncc(F)cc2[N+](=O)[O-])C1 ZINC001226755208 975058633 /nfs/dbraw/zinc/05/86/33/975058633.db2.gz KFYNNEQWNYMCRX-QMMMGPOBSA-N 0 1 241.222 1.212 20 5 BDBDMN CN1CC[C@H](Oc2ccccc2[N+](=O)[O-])C1 ZINC001227479767 975459321 /nfs/dbraw/zinc/45/93/21/975459321.db2.gz KCPFAGSZEHLHPX-VIFPVBQESA-N 0 1 222.244 1.678 20 5 BDBDMN Cc1nc(OC2CCCC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229382496 976850617 /nfs/dbraw/zinc/85/06/17/976850617.db2.gz UCVHILJKPWIPPO-UHFFFAOYSA-N 0 1 239.231 1.720 20 5 BDBDMN COc1ccccc1[C@@H]1C[C@H]1NCC[N+](=O)[O-] ZINC001335987241 977404009 /nfs/dbraw/zinc/40/40/09/977404009.db2.gz VHSAATUXJBCPLL-WDEREUQCSA-N 0 1 236.271 1.417 20 5 BDBDMN Cc1nccc([N+](=O)[O-])c1O[C@H]1CCN(C)C1 ZINC001234903379 978927081 /nfs/dbraw/zinc/92/70/81/978927081.db2.gz LVSNPXPKXLEKBN-VIFPVBQESA-N 0 1 237.259 1.381 20 5 BDBDMN CN(Cc1cnc[nH]1)c1ccccc1[N+](=O)[O-] ZINC001187006711 980470921 /nfs/dbraw/zinc/47/09/21/980470921.db2.gz AUWHVZZTTUWJIS-UHFFFAOYSA-N 0 1 232.243 1.954 20 5 BDBDMN CON(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])C(C)C ZINC001347699354 981148709 /nfs/dbraw/zinc/14/87/09/981148709.db2.gz UVBFRFHOTAEODQ-UHFFFAOYSA-N 0 1 242.235 1.038 20 5 BDBDMN Cc1nnc(-c2ccc(O)cc2[N+](=O)[O-])o1 ZINC001253463392 984179363 /nfs/dbraw/zinc/17/93/63/984179363.db2.gz ROWUDYHJZAXBRQ-UHFFFAOYSA-N 0 1 221.172 1.659 20 5 BDBDMN Cc1cc([N+](=O)[O-])cnc1N[C@H](C)c1nnc[nH]1 ZINC000226500373 178274923 /nfs/dbraw/zinc/27/49/23/178274923.db2.gz XYCBPYZNTBPXFG-SSDOTTSWSA-N 0 1 248.246 1.589 20 5 BDBDMN Cc1cc(CNc2ncc([N+](=O)[O-])s2)n[nH]1 ZINC000309849269 343066018 /nfs/dbraw/zinc/06/60/18/343066018.db2.gz IITDPTMIHZANCB-UHFFFAOYSA-N 0 1 239.260 1.695 20 5 BDBDMN Cc1c(CN(C)CCO)cccc1[N+](=O)[O-] ZINC000048347152 343578834 /nfs/dbraw/zinc/57/88/34/343578834.db2.gz KSTAYVLLFNFZNV-UHFFFAOYSA-N 0 1 224.260 1.327 20 5 BDBDMN O=[N+]([O-])c1cccc(CNC/C=C/CO)c1 ZINC000594974567 348162615 /nfs/dbraw/zinc/16/26/15/348162615.db2.gz MDSSKKPZAJQRBG-OWOJBTEDSA-N 0 1 222.244 1.233 20 5 BDBDMN CN(Cc1cnc[nH]1)c1ncc([N+](=O)[O-])s1 ZINC000596305874 348492199 /nfs/dbraw/zinc/49/21/99/348492199.db2.gz NXPCCHRBFJHWBM-UHFFFAOYSA-N 0 1 239.260 1.411 20 5 BDBDMN C[C@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)CO1 ZINC000402206860 350043520 /nfs/dbraw/zinc/04/35/20/350043520.db2.gz IBMDPUDDEMBKHC-CBAPKCEASA-N 0 1 242.300 1.923 20 5 BDBDMN Cc1nc(NCc2nnc[nH]2)ccc1[N+](=O)[O-] ZINC000161534550 180020301 /nfs/dbraw/zinc/02/03/01/180020301.db2.gz ZVKAYVJSLFZXHG-UHFFFAOYSA-N 0 1 234.219 1.028 20 5 BDBDMN Cc1ncc([N+](=O)[O-])n1C[C@H]1CC[N@H+](C)C1 ZINC000352933292 180176603 /nfs/dbraw/zinc/17/66/03/180176603.db2.gz XLJGSVJGWKNAFI-VIFPVBQESA-N 0 1 224.264 1.051 20 5 BDBDMN CCN(Cc1c([N+](=O)[O-])ncn1C)CC(C)C ZINC000355789740 351432674 /nfs/dbraw/zinc/43/26/74/351432674.db2.gz QZWDTOYINKDYGO-UHFFFAOYSA-N 0 1 240.307 1.806 20 5 BDBDMN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000035792393 359454200 /nfs/dbraw/zinc/45/42/00/359454200.db2.gz PGSAGHXPDZKDFA-JGVFFNPUSA-N 0 1 237.259 1.119 20 5 BDBDMN C[C@H]1CC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000444463682 193047447 /nfs/dbraw/zinc/04/74/47/193047447.db2.gz HIFPFUJEYCGTNX-BQBZGAKWSA-N 0 1 238.247 1.236 20 5 BDBDMN Cc1ccc([N+](=O)[O-])c(NCc2nnc[nH]2)c1 ZINC000094659428 369432096 /nfs/dbraw/zinc/43/20/96/369432096.db2.gz JYSUJPHNJOCVBL-UHFFFAOYSA-N 0 1 233.231 1.633 20 5 BDBDMN Cc1ccc([C@@H](C)NCC(N)=O)cc1[N+](=O)[O-] ZINC000020083349 370234968 /nfs/dbraw/zinc/23/49/68/370234968.db2.gz JVCDDWQVBSNIGT-MRVPVSSYSA-N 0 1 237.259 1.039 20 5 BDBDMN C[C@H]1C[C@H](C)N(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602473416 371810586 /nfs/dbraw/zinc/81/05/86/371810586.db2.gz QWFINZBFSMRSRS-IUCAKERBSA-N 0 1 238.291 1.559 20 5 BDBDMN C[C@@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])[C@H]1C ZINC000602486428 371813921 /nfs/dbraw/zinc/81/39/21/371813921.db2.gz UFIFTMWNXHQEPQ-BDAKNGLRSA-N 0 1 238.291 1.559 20 5 BDBDMN O=C(NCC1CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000330518896 182146009 /nfs/dbraw/zinc/14/60/09/182146009.db2.gz PBKJHSFQRZAPFU-UHFFFAOYSA-N 0 1 238.247 1.238 20 5 BDBDMN Cn1cncc1CNCc1cccc([N+](=O)[O-])c1 ZINC000112344414 383920781 /nfs/dbraw/zinc/92/07/81/383920781.db2.gz XDTFUBVCVMICJV-UHFFFAOYSA-N 0 1 246.270 1.618 20 5 BDBDMN C[N@H+](CCCO)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339161420 383906066 /nfs/dbraw/zinc/90/60/66/383906066.db2.gz RKXZLUDXJRCWCA-UHFFFAOYSA-N 0 1 240.259 1.115 20 5 BDBDMN C[N@@H+](CCCO)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339161420 383906073 /nfs/dbraw/zinc/90/60/73/383906073.db2.gz RKXZLUDXJRCWCA-UHFFFAOYSA-N 0 1 240.259 1.115 20 5 BDBDMN C[C@H](N[C@@H]1CCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000179063524 384381533 /nfs/dbraw/zinc/38/15/33/384381533.db2.gz BCXBRRYCZCYUSW-GZMMTYOYSA-N 0 1 249.270 1.134 20 5 BDBDMN CN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000106883047 384934708 /nfs/dbraw/zinc/93/47/08/384934708.db2.gz DGMWKVYIAOSUPM-GFCCVEGCSA-N 0 1 236.271 1.816 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H](C2CC2)C1 ZINC000365614040 384977928 /nfs/dbraw/zinc/97/79/28/384977928.db2.gz DRWOARKSPCUFMG-MXWKQRLJSA-N 0 1 238.287 1.300 20 5 BDBDMN CCc1[nH]nc(C(=O)N(C)C2CC2)c1[N+](=O)[O-] ZINC000171805457 385519367 /nfs/dbraw/zinc/51/93/67/385519367.db2.gz NWFXTYRDUOQLIH-UHFFFAOYSA-N 0 1 238.247 1.115 20 5 BDBDMN O=[N+]([O-])c1cc(CN[C@H]2C[C@@H](O)C2)cs1 ZINC000294934212 386688587 /nfs/dbraw/zinc/68/85/87/386688587.db2.gz UVADGTALRRXBIG-OCAPTIKFSA-N 0 1 228.273 1.269 20 5 BDBDMN CC(C)c1[nH]nc(C(=O)N(C)C)c1[N+](=O)[O-] ZINC000269430348 387111117 /nfs/dbraw/zinc/11/11/17/387111117.db2.gz ZQMGZJVJPNJMAF-UHFFFAOYSA-N 0 1 226.236 1.143 20 5 BDBDMN CN(CCCO)Cc1ccccc1[N+](=O)[O-] ZINC000045915229 388003664 /nfs/dbraw/zinc/00/36/64/388003664.db2.gz WUJASGSLACIAAD-UHFFFAOYSA-N 0 1 224.260 1.409 20 5 BDBDMN CC[C@H]1CCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000446719773 388733757 /nfs/dbraw/zinc/73/37/57/388733757.db2.gz QOUNSQSCXVERMN-VIFPVBQESA-N 0 1 238.291 1.560 20 5 BDBDMN C[C@@H](C1CC1)N(C)Cc1c([N+](=O)[O-])ncn1C ZINC000558713817 397925992 /nfs/dbraw/zinc/92/59/92/397925992.db2.gz OZESCTGHBHQDCQ-QMMMGPOBSA-N 0 1 238.291 1.559 20 5 BDBDMN CC1=CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000330463760 168115210 /nfs/dbraw/zinc/11/52/10/168115210.db2.gz NYQIMCIUEXHEOI-UHFFFAOYSA-N 0 1 236.275 1.443 20 5 BDBDMN CC[C@H](C)[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000119178945 171363968 /nfs/dbraw/zinc/36/39/68/171363968.db2.gz MEBFKOFPJVVIQX-NKWVEPMBSA-N 0 1 240.263 1.482 20 5 BDBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CCO ZINC000090740883 176026315 /nfs/dbraw/zinc/02/63/15/176026315.db2.gz OYUKJTXFUWAPBL-VIFPVBQESA-N 0 1 224.260 1.580 20 5 BDBDMN C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)[O-] ZINC000106036014 177038011 /nfs/dbraw/zinc/03/80/11/177038011.db2.gz KLJWHTSWOQVADH-MRVPVSSYSA-N 0 1 238.243 1.672 20 5 BDBDMN O=[N+]([O-])c1cccc2c1CCN(CCCO)C2 ZINC000305433590 323170112 /nfs/dbraw/zinc/17/01/12/323170112.db2.gz GNHRLUSLVAYMGP-UHFFFAOYSA-N 0 1 236.271 1.335 20 5 BDBDMN Cc1c(CN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000076409653 566281897 /nfs/dbraw/zinc/28/18/97/566281897.db2.gz PMTACOKZNIJKSZ-UHFFFAOYSA-N 0 1 249.314 1.651 20 5 BDBDMN Cc1cnc([C@H](C)OC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC000840669832 583378555 /nfs/dbraw/zinc/37/85/55/583378555.db2.gz JWIQWJPQZZAFOL-XLPZGREQSA-N 0 1 240.215 1.252 20 5 BDBDMN CC(C)(C)OCCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840671643 583407375 /nfs/dbraw/zinc/40/73/75/583407375.db2.gz YFITXVQGGIDFHJ-RKDXNWHRSA-N 0 1 245.275 1.400 20 5 BDBDMN CC/C=C\CCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673515 583424426 /nfs/dbraw/zinc/42/44/26/583424426.db2.gz QWQQUHUNZWAHKU-UREXNXCXSA-N 0 1 213.233 1.551 20 5 BDBDMN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000899400823 584210392 /nfs/dbraw/zinc/21/03/92/584210392.db2.gz LVWYXTYFSNYFCF-FSKPYACHSA-N 0 1 238.287 1.060 20 5 BDBDMN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000899400824 584210410 /nfs/dbraw/zinc/21/04/10/584210410.db2.gz LVWYXTYFSNYFCF-RRDOJEEWSA-N 0 1 238.287 1.060 20 5 BDBDMN CC(C)Oc1ccc(CNCC[N+](=O)[O-])cc1 ZINC000899866713 584243857 /nfs/dbraw/zinc/24/38/57/584243857.db2.gz RKFBTTDOANBIPB-UHFFFAOYSA-N 0 1 238.287 1.840 20 5 BDBDMN Cc1ccc(CNCC[N+](=O)[O-])s1 ZINC000899870925 584244815 /nfs/dbraw/zinc/24/48/15/584244815.db2.gz LPUAKSZATINSQR-UHFFFAOYSA-N 0 1 200.263 1.423 20 5 BDBDMN Cc1ccsc1CNCC[N+](=O)[O-] ZINC000899875972 584245614 /nfs/dbraw/zinc/24/56/14/584245614.db2.gz LOJNUSWMOGJRJK-UHFFFAOYSA-N 0 1 200.263 1.423 20 5 BDBDMN Cc1ccccc1[C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839459985 585103409 /nfs/dbraw/zinc/10/34/09/585103409.db2.gz WXYSRGHHCXGIMB-YUSALJHKSA-N 0 1 248.282 1.837 20 5 BDBDMN Cc1ccc([C@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839508168 585105953 /nfs/dbraw/zinc/10/59/53/585105953.db2.gz FIOQWSPCRYQKHC-MVWJERBFSA-N 0 1 248.282 1.837 20 5 BDBDMN C[C@@H]1CCC[C@H](C)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839690225 585335386 /nfs/dbraw/zinc/33/53/86/585335386.db2.gz IJJKSHZBWLHFTF-LNFKQOIKSA-N 0 1 240.303 1.689 20 5 BDBDMN C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C(C)(C)C1 ZINC000839695623 585335585 /nfs/dbraw/zinc/33/55/85/585335585.db2.gz JJFDFYASZFAZGW-IWSPIJDZSA-N 0 1 226.276 1.299 20 5 BDBDMN CC[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCS1 ZINC000839696635 585335655 /nfs/dbraw/zinc/33/56/55/585335655.db2.gz LWQVIKCYCFGQCS-DJLDLDEBSA-N 0 1 244.316 1.006 20 5 BDBDMN CC[C@]1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839701066 585335878 /nfs/dbraw/zinc/33/58/78/585335878.db2.gz JZPANQSFIAFLLP-FXPVBKGRSA-N 0 1 226.276 1.300 20 5 BDBDMN CCCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC000839701419 585336024 /nfs/dbraw/zinc/33/60/24/585336024.db2.gz LCKJAQJNGJSILD-NXEZZACHSA-N 0 1 240.303 1.738 20 5 BDBDMN C[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1(C)C ZINC000839725271 585338699 /nfs/dbraw/zinc/33/86/99/585338699.db2.gz HOZVUVVCLZVYRK-OPRDCNLKSA-N 0 1 240.303 1.546 20 5 BDBDMN CC[C@@H]1[C@H](C)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839728398 585338892 /nfs/dbraw/zinc/33/88/92/585338892.db2.gz LWNQRMLRGVHJGD-ZYUZMQFOSA-N 0 1 226.276 1.299 20 5 BDBDMN CCC(C)(C)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839741293 585339571 /nfs/dbraw/zinc/33/95/71/585339571.db2.gz FCUUIUWLUZQFDT-HTQZYQBOSA-N 0 1 214.265 1.204 20 5 BDBDMN CC(C)N(CC1CCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839739502 585339691 /nfs/dbraw/zinc/33/96/91/585339691.db2.gz AZQSLAHTXXHTTC-GHMZBOCLSA-N 0 1 240.303 1.689 20 5 BDBDMN C[C@@H]1CCC[C@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839754857 585340376 /nfs/dbraw/zinc/34/03/76/585340376.db2.gz XFWZKGVKTGWCPH-UTINFBMNSA-N 0 1 226.276 1.204 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC[C@H]1C(F)F ZINC000839758048 585340513 /nfs/dbraw/zinc/34/05/13/585340513.db2.gz OLNWIROFTARCQJ-GJMOJQLCSA-N 0 1 248.229 1.298 20 5 BDBDMN CC(C)=CCC[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839783144 585342008 /nfs/dbraw/zinc/34/20/08/585342008.db2.gz FBPMBSKORDEGOZ-HBNTYKKESA-N 0 1 240.303 1.903 20 5 BDBDMN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000761070689 585404974 /nfs/dbraw/zinc/40/49/74/585404974.db2.gz OKINIQYRNXFPDP-LLVKDONJSA-N 0 1 249.314 1.731 20 5 BDBDMN O=C(O[C@@H]1CCCOC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000761332841 585413843 /nfs/dbraw/zinc/41/38/43/585413843.db2.gz WRARWHHAPBIDPX-SSDOTTSWSA-N 0 1 240.215 1.259 20 5 BDBDMN CCC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCC1 ZINC000839798105 585487456 /nfs/dbraw/zinc/48/74/56/585487456.db2.gz NBGWFLDDACIZRP-OUAUKWLOSA-N 0 1 240.303 1.737 20 5 BDBDMN C=COc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000839800522 585542183 /nfs/dbraw/zinc/54/21/83/585542183.db2.gz UHFHNCCMYRCTBT-GHMZBOCLSA-N 0 1 248.238 1.813 20 5 BDBDMN O=[N+]([O-])c1cccc(CN2C[C@@H]3C[C@]3(CO)C2)c1 ZINC000782611387 585822123 /nfs/dbraw/zinc/82/21/23/585822123.db2.gz CQZFOEHMONUFMK-WCQYABFASA-N 0 1 248.282 1.409 20 5 BDBDMN C[C@H]1CCN(CC[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000791055812 585973645 /nfs/dbraw/zinc/97/36/45/585973645.db2.gz YVDPIBJRKVYIKB-QWRGUYRKSA-N 0 1 238.291 1.043 20 5 BDBDMN C[C@@H]1CC(C)(C)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839875786 586167358 /nfs/dbraw/zinc/16/73/58/586167358.db2.gz GTZXXBLVDGFQKK-IWSPIJDZSA-N 0 1 226.276 1.299 20 5 BDBDMN C[C@@H]1CCC[C@H](C)N1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840322319 586622247 /nfs/dbraw/zinc/62/22/47/586622247.db2.gz WEBJLQDWIHKFQH-UTINFBMNSA-N 0 1 226.276 1.441 20 5 BDBDMN CC(C)(C)[C@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840322842 586622478 /nfs/dbraw/zinc/62/24/78/586622478.db2.gz AAMLLDCRLAZCFM-OPRDCNLKSA-N 0 1 240.303 1.689 20 5 BDBDMN C[C@]1(COC(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H]1F ZINC000822098600 587152357 /nfs/dbraw/zinc/15/23/57/587152357.db2.gz IJQHIRJFCVIMED-GMSGAONNSA-N 0 1 242.206 1.828 20 5 BDBDMN CC(C)C[C@@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840674536 587916072 /nfs/dbraw/zinc/91/60/72/587916072.db2.gz MHLOKIMXQJOURV-IWSPIJDZSA-N 0 1 215.249 1.629 20 5 BDBDMN O=C(NCC[C@@H]1CC=CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000862946008 589247752 /nfs/dbraw/zinc/24/77/52/589247752.db2.gz FJYHBVXQTNKCCD-GMTAPVOTSA-N 0 1 238.287 1.514 20 5 BDBDMN Cc1ccc(O)cc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000862963019 589248963 /nfs/dbraw/zinc/24/89/63/589248963.db2.gz FAJLHRSRXNYUSJ-PSASIEDQSA-N 0 1 236.227 1.304 20 5 BDBDMN O=C(N[C@@H]1CCCC12CC2)[C@@H]1CC1[N+](=O)[O-] ZINC000869751376 589627204 /nfs/dbraw/zinc/62/72/04/589627204.db2.gz UCPCCXPSMOHJIK-IWSPIJDZSA-N 0 1 224.260 1.101 20 5 BDBDMN CS[C@H]1C[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000870581970 589678362 /nfs/dbraw/zinc/67/83/62/589678362.db2.gz HGJDIBHIGMRKOJ-ULAWRXDQSA-N 0 1 231.273 1.089 20 5 BDBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CC12CC2 ZINC000873624162 590062558 /nfs/dbraw/zinc/06/25/58/590062558.db2.gz MHVCDZHNJDHRCG-LURQLKTLSA-N 0 1 225.244 1.383 20 5 BDBDMN O=[N+]([O-])c1ccn(CCN2CCC(F)CC2)n1 ZINC000880241684 590975250 /nfs/dbraw/zinc/97/52/50/590975250.db2.gz GTBYNKNULZGNAT-UHFFFAOYSA-N 0 1 242.254 1.225 20 5 BDBDMN O=[N+]([O-])CCN[C@H]1CCCc2sccc21 ZINC000905214836 637699588 /nfs/dbraw/zinc/69/95/88/637699588.db2.gz JJTSJYGHSSCIAT-VIFPVBQESA-N 0 1 226.301 1.992 20 5 BDBDMN C[C@@H]1CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000905975249 637991426 /nfs/dbraw/zinc/99/14/26/637991426.db2.gz PYNMUXPDVVKSHW-SKDRFNHKSA-N 0 1 236.271 1.722 20 5 BDBDMN COCCCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000919668340 642367988 /nfs/dbraw/zinc/36/79/88/642367988.db2.gz DYYWGHSPFXKXSI-UHFFFAOYSA-N 0 1 228.204 1.116 20 5 BDBDMN CC(C)[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839730356 644630862 /nfs/dbraw/zinc/63/08/62/644630862.db2.gz DVDXAQRBMMSBAB-HBNTYKKESA-N 0 1 240.303 1.546 20 5 BDBDMN CCC1(CC)[C@H](OC)C[C@H]1N(C)CC[N+](=O)[O-] ZINC000930034429 646403949 /nfs/dbraw/zinc/40/39/49/646403949.db2.gz AUCUKZRPLYNXDA-GHMZBOCLSA-N 0 1 244.335 1.789 20 5 BDBDMN COc1ccc([C@H](C)NCC[N+](=O)[O-])cc1 ZINC000930190564 646484368 /nfs/dbraw/zinc/48/43/68/646484368.db2.gz PBZZCSXBFATUTG-VIFPVBQESA-N 0 1 224.260 1.623 20 5 BDBDMN CN1CC[C@H](Oc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001225905655 962899908 /nfs/dbraw/zinc/89/99/08/962899908.db2.gz XAEPRVBHKXESPD-VIFPVBQESA-N 0 1 240.234 1.817 20 5 BDBDMN CC(C)(C)Cc1nnc([C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001118372105 968134759 /nfs/dbraw/zinc/13/47/59/968134759.db2.gz OCMOAOZAXRMBSE-RNFRBKRXSA-N 0 1 225.248 1.791 20 5 BDBDMN O=[N+]([O-])C[C@H]1CC[C@H](N2CCOCC23CC3)C1 ZINC001169040056 969355089 /nfs/dbraw/zinc/35/50/89/969355089.db2.gz XHCYDSOFLSBIBC-QWRGUYRKSA-N 0 1 240.303 1.297 20 5 BDBDMN CN(Cc1ccon1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037030 969357900 /nfs/dbraw/zinc/35/79/00/969357900.db2.gz HWWMDNNROVSVDN-GXSJLCMTSA-N 0 1 239.275 1.552 20 5 BDBDMN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCn3cccc3C2)C1 ZINC001169024350 969364471 /nfs/dbraw/zinc/36/44/71/969364471.db2.gz GMXMGZHUYHMCJO-VXGBXAGGSA-N 0 1 249.314 1.749 20 5 BDBDMN O=[N+]([O-])C[C@@H](OCc1cnc[nH]1)c1cccnc1 ZINC001223000499 972793471 /nfs/dbraw/zinc/79/34/71/972793471.db2.gz OMBDAXRBUUXFAB-LLVKDONJSA-N 0 1 248.242 1.339 20 5 BDBDMN O=[N+]([O-])C[C@H](Oc1cccc2[nH]nnc21)C1CC1 ZINC001225990947 974753834 /nfs/dbraw/zinc/75/38/34/974753834.db2.gz OOHYDMAACXOZJU-JTQLQIEISA-N 0 1 248.242 1.392 20 5 BDBDMN CN1CC[C@@H](Oc2cnccc2[N+](=O)[O-])C1 ZINC001228880046 976547860 /nfs/dbraw/zinc/54/78/60/976547860.db2.gz PTJBKLNUCDMTRV-MRVPVSSYSA-N 0 1 223.232 1.073 20 5 BDBDMN Cc1ncn(-c2ccc([N+](=O)[O-])cc2)c1N ZINC001174477624 976796903 /nfs/dbraw/zinc/79/69/03/976796903.db2.gz QYXAYVXTPJWFAS-UHFFFAOYSA-N 0 1 218.216 1.671 20 5 BDBDMN Cc1nc(O[C@@H](C)C2CC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229375323 976852116 /nfs/dbraw/zinc/85/21/16/976852116.db2.gz BCWNXJGKORUTMU-YFKPBYRVSA-N 0 1 239.231 1.576 20 5 BDBDMN O=[N+]([O-])CCN1CCC([C@@H]2CCCO2)CC1 ZINC001335905475 977356045 /nfs/dbraw/zinc/35/60/45/977356045.db2.gz IUZFQXXWZIPYEX-NSHDSACASA-N 0 1 228.292 1.154 20 5 BDBDMN O=C(OC(C1CC1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001343888324 980269927 /nfs/dbraw/zinc/26/99/27/980269927.db2.gz PPWFJOPAHCNHOR-RKDXNWHRSA-N 0 1 225.244 1.383 20 5 BDBDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC001589616266 987477590 /nfs/dbraw/zinc/47/75/90/987477590.db2.gz RFNBYBRPFXAGTR-VIFPVBQESA-N 0 1 244.291 1.086 20 5 BDBDMN Cc1cc(N(C)Cc2nnc[nH]2)ccc1[N+](=O)[O-] ZINC000267911609 178100081 /nfs/dbraw/zinc/10/00/81/178100081.db2.gz MIYXREOHYVOJMF-UHFFFAOYSA-N 0 1 247.258 1.658 20 5 BDBDMN Cc1cc(N[C@@H](C)c2nnc[nH]2)ncc1[N+](=O)[O-] ZINC000226499938 178180360 /nfs/dbraw/zinc/18/03/60/178180360.db2.gz GZVCHUBBXZNLNP-ZETCQYMHSA-N 0 1 248.246 1.589 20 5 BDBDMN Cc1cc(N[C@H](C)c2nnc[nH]2)ncc1[N+](=O)[O-] ZINC000226499946 178186822 /nfs/dbraw/zinc/18/68/22/178186822.db2.gz GZVCHUBBXZNLNP-SSDOTTSWSA-N 0 1 248.246 1.589 20 5 BDBDMN CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])C1CC1 ZINC000602760758 349733587 /nfs/dbraw/zinc/73/35/87/349733587.db2.gz BDVFPYHHOWGPNN-UHFFFAOYSA-N 0 1 238.291 1.584 20 5 BDBDMN Cc1cc(CNc2ccc([N+](=O)[O-])c(C)n2)n[nH]1 ZINC000610755105 344147508 /nfs/dbraw/zinc/14/75/08/344147508.db2.gz RFXUVMUYDIBIFZ-UHFFFAOYSA-N 0 1 247.258 1.364 20 5 BDBDMN O=C(Nc1cnoc1)c1ccc([N+](=O)[O-])cn1 ZINC000610771724 344153498 /nfs/dbraw/zinc/15/34/98/344153498.db2.gz FDGPOJKYFLLZBA-UHFFFAOYSA-N 0 1 234.171 1.230 20 5 BDBDMN O=C(NC1CC=CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611558790 344756056 /nfs/dbraw/zinc/75/60/56/344756056.db2.gz SWLBSLQTYLOAJB-UHFFFAOYSA-N 0 1 248.238 1.749 20 5 BDBDMN CCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000114216871 345675517 /nfs/dbraw/zinc/67/55/17/345675517.db2.gz ZTSJLABQSCZINN-UHFFFAOYSA-N 0 1 236.275 1.132 20 5 BDBDMN CC(C)C(C)(C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000577380742 365938673 /nfs/dbraw/zinc/93/86/73/365938673.db2.gz CDIHQEKJURSJIY-UHFFFAOYSA-N 0 1 240.263 1.482 20 5 BDBDMN CN(CC1CN(C)C1)c1ccsc1[N+](=O)[O-] ZINC000596453957 348551872 /nfs/dbraw/zinc/55/18/72/348551872.db2.gz OMCOGKPYICNJDW-UHFFFAOYSA-N 0 1 241.316 1.654 20 5 BDBDMN C[C@@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)CO1 ZINC000402206858 350043084 /nfs/dbraw/zinc/04/30/84/350043084.db2.gz IBMDPUDDEMBKHC-APPZFPTMSA-N 0 1 242.300 1.923 20 5 BDBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC(=O)[O-] ZINC000086725838 352546473 /nfs/dbraw/zinc/54/64/73/352546473.db2.gz UCWVHTAMOAOXKD-MRVPVSSYSA-N 0 1 238.243 1.672 20 5 BDBDMN Cc1c(Nc2ncc([N+](=O)[O-])c(C)n2)cnn1C ZINC000450375394 202145735 /nfs/dbraw/zinc/14/57/35/202145735.db2.gz DUDOEPLIBYDIMG-UHFFFAOYSA-N 0 1 248.246 1.479 20 5 BDBDMN O=C(NCc1cnc[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000088753578 356805354 /nfs/dbraw/zinc/80/53/54/356805354.db2.gz WDYICQPZJSAJKZ-UHFFFAOYSA-N 0 1 246.226 1.248 20 5 BDBDMN COCCN(C)Cc1cccc([N+](=O)[O-])c1C ZINC000054361601 363570494 /nfs/dbraw/zinc/57/04/94/363570494.db2.gz VHGZBQSGPQLABB-UHFFFAOYSA-N 0 1 238.287 1.981 20 5 BDBDMN C[N@@H+](CCC(=O)[O-])Cc1cccc([N+](=O)[O-])c1 ZINC000037932859 361397643 /nfs/dbraw/zinc/39/76/43/361397643.db2.gz MHPLEQIAFMIFAE-UHFFFAOYSA-N 0 1 238.243 1.501 20 5 BDBDMN CCC(F)(F)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000600379923 371665799 /nfs/dbraw/zinc/66/57/99/371665799.db2.gz JUNDRECSCJXMRG-UHFFFAOYSA-N 0 1 248.189 1.093 20 5 BDBDMN CC(C)CCN(C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602440908 371805474 /nfs/dbraw/zinc/80/54/74/371805474.db2.gz MTCFFBKQTHPOKB-UHFFFAOYSA-N 0 1 240.307 1.806 20 5 BDBDMN C[C@@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])[C@@H]1C ZINC000602486432 371813689 /nfs/dbraw/zinc/81/36/89/371813689.db2.gz UFIFTMWNXHQEPQ-RKDXNWHRSA-N 0 1 238.291 1.559 20 5 BDBDMN Cn1cc(C[N@H+]2CCCC2(C)C)c([N+](=O)[O-])n1 ZINC000602771510 371837990 /nfs/dbraw/zinc/83/79/90/371837990.db2.gz BRVPUQASLUJNOM-UHFFFAOYSA-N 0 1 238.291 1.703 20 5 BDBDMN Cn1cc(CN2CCCC2(C)C)c([N+](=O)[O-])n1 ZINC000602771510 371838000 /nfs/dbraw/zinc/83/80/00/371838000.db2.gz BRVPUQASLUJNOM-UHFFFAOYSA-N 0 1 238.291 1.703 20 5 BDBDMN O=C(Nc1cn[nH]c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356340807 182392183 /nfs/dbraw/zinc/39/21/83/182392183.db2.gz NAEVJYAREOKVSC-UHFFFAOYSA-N 0 1 248.198 1.276 20 5 BDBDMN CCCN(CC)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000330595649 169118837 /nfs/dbraw/zinc/11/88/37/169118837.db2.gz CCAGJDIVSIESJV-UHFFFAOYSA-N 0 1 240.263 1.498 20 5 BDBDMN CCO[C@@H]1C[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000572823839 384171527 /nfs/dbraw/zinc/17/15/27/384171527.db2.gz ZVYDHRROFSCLBG-ZYHUDNBSSA-N 0 1 236.271 1.862 20 5 BDBDMN COC[C@@H](C)NCc1ccc([N+](=O)[O-])cc1F ZINC000310462987 384177127 /nfs/dbraw/zinc/17/71/27/384177127.db2.gz WFDDPTKEESBPQF-MRVPVSSYSA-N 0 1 242.250 1.858 20 5 BDBDMN C[C@@H](O)CCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000075783304 384339181 /nfs/dbraw/zinc/33/91/81/384339181.db2.gz GNIZUKKXWAETTL-SNVBAGLBSA-N 0 1 238.287 1.798 20 5 BDBDMN O=[N+]([O-])c1cccnc1NCCN1CC=CCC1 ZINC000280160164 384660503 /nfs/dbraw/zinc/66/05/03/384660503.db2.gz GJYFFAPPTBQVHH-UHFFFAOYSA-N 0 1 248.286 1.664 20 5 BDBDMN O=[N+]([O-])c1ccc(NCCN2CCC2)nc1 ZINC000309529829 384930387 /nfs/dbraw/zinc/93/03/87/384930387.db2.gz VRPAQSNAKUCYIA-UHFFFAOYSA-N 0 1 222.248 1.107 20 5 BDBDMN O=[N+]([O-])c1cccc(CN2C[C@H](O)C3(CC3)C2)c1 ZINC000364317715 385029929 /nfs/dbraw/zinc/02/99/29/385029929.db2.gz OWZYOUJZWZOZQM-LBPRGKRZSA-N 0 1 248.282 1.552 20 5 BDBDMN Cc1cnc(N(C)Cc2nnc[nH]2)c([N+](=O)[O-])c1 ZINC000267785442 386794700 /nfs/dbraw/zinc/79/47/00/386794700.db2.gz ONKZABUGKYGXEU-UHFFFAOYSA-N 0 1 248.246 1.053 20 5 BDBDMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000054070417 388022792 /nfs/dbraw/zinc/02/27/92/388022792.db2.gz ZGDBWHCPVPKLJU-MRVPVSSYSA-N 0 1 238.243 1.500 20 5 BDBDMN Cc1nc(CCNc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000271660437 388397543 /nfs/dbraw/zinc/39/75/43/388397543.db2.gz UUJMHICCEVXSQZ-UHFFFAOYSA-N 0 1 247.258 1.676 20 5 BDBDMN Cc1nnc(CCNc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000271660437 388397546 /nfs/dbraw/zinc/39/75/46/388397546.db2.gz UUJMHICCEVXSQZ-UHFFFAOYSA-N 0 1 247.258 1.676 20 5 BDBDMN CC[C@@H](C)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000421912289 388684227 /nfs/dbraw/zinc/68/42/27/388684227.db2.gz JZODDNMZPAXPEZ-ZCFIWIBFSA-N 0 1 226.236 1.094 20 5 BDBDMN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1Cc2ccccc2CO1 ZINC000377171320 388723902 /nfs/dbraw/zinc/72/39/02/388723902.db2.gz FYABBDDHFMQOIU-GHMZBOCLSA-N 0 1 248.238 1.126 20 5 BDBDMN Cc1n[nH]cc1CNCc1ccc([N+](=O)[O-])cc1 ZINC000037502779 388886010 /nfs/dbraw/zinc/88/60/10/388886010.db2.gz BPGCNYYXTXLMAH-UHFFFAOYSA-N 0 1 246.270 1.916 20 5 BDBDMN CCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153177875 388947603 /nfs/dbraw/zinc/94/76/03/388947603.db2.gz BKHGVOVHCMCZPT-UHFFFAOYSA-N 0 1 206.245 1.973 20 5 BDBDMN CCN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000057366613 132365553 /nfs/dbraw/zinc/36/55/53/132365553.db2.gz NYVDPWUNMWOSOA-UHFFFAOYSA-N 0 1 235.287 1.737 20 5 BDBDMN O=[N+]([O-])c1ccc(N2CCN(C3CC3)CC2)cn1 ZINC000345384872 133765930 /nfs/dbraw/zinc/76/59/30/133765930.db2.gz RNGMYLAXTNSMJN-UHFFFAOYSA-N 0 1 248.286 1.274 20 5 BDBDMN CO[C@@H](C)CNCc1csc([N+](=O)[O-])c1 ZINC000191200004 135508747 /nfs/dbraw/zinc/50/87/47/135508747.db2.gz UGFLVCWZDCGKQP-ZETCQYMHSA-N 0 1 230.289 1.781 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCCCC2 ZINC000371858202 397941378 /nfs/dbraw/zinc/94/13/78/397941378.db2.gz KYPGSNJJGQOCRE-ZJUUUORDSA-N 0 1 238.287 1.444 20 5 BDBDMN COCCN(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338928530 174280320 /nfs/dbraw/zinc/28/03/20/174280320.db2.gz HLINCCKKYNKKFY-UHFFFAOYSA-N 0 1 240.259 1.379 20 5 BDBDMN C[C@@H]1CC2(CCC2)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000365322109 176056874 /nfs/dbraw/zinc/05/68/74/176056874.db2.gz QTWYUXMDWSDCOW-BBBLOLIVSA-N 0 1 238.287 1.443 20 5 BDBDMN C[C@@H]1C[C@H](C)N(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355343952 177316961 /nfs/dbraw/zinc/31/69/61/177316961.db2.gz PKGFYIPXEOJNKN-BDAKNGLRSA-N 0 1 238.291 1.559 20 5 BDBDMN C[C@H]1C[C@H](O)CN1Cc1cccc([N+](=O)[O-])c1 ZINC000340930933 177373649 /nfs/dbraw/zinc/37/36/49/177373649.db2.gz TZJWTGNBLUSSCK-CABZTGNLSA-N 0 1 236.271 1.550 20 5 BDBDMN Cc1nc(COc2ncc(C)cc2[N+](=O)[O-])n[nH]1 ZINC000488265201 225359258 /nfs/dbraw/zinc/35/92/58/225359258.db2.gz LXQJJRDOETUEAM-UHFFFAOYSA-N 0 1 249.230 1.304 20 5 BDBDMN CCCCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000158827288 488183116 /nfs/dbraw/zinc/18/31/16/488183116.db2.gz RNZGICWYJAZLEU-UHFFFAOYSA-N 0 1 226.236 1.238 20 5 BDBDMN O=[N+]([O-])CCN1CC[C@@H](c2ccccc2)C1 ZINC000791051629 583383694 /nfs/dbraw/zinc/38/36/94/583383694.db2.gz HESQFRWVWBVZSM-GFCCVEGCSA-N 0 1 220.272 1.753 20 5 BDBDMN O=C(O[C@H]1CCc2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000840673667 583425739 /nfs/dbraw/zinc/42/57/39/583425739.db2.gz XSIPMMPUFKSBMH-UTUOFQBUSA-N 0 1 247.250 1.882 20 5 BDBDMN C[C@H]1CC[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000840674665 583429460 /nfs/dbraw/zinc/42/94/60/583429460.db2.gz OEIFMTLUEXIQDS-RBXMUDONSA-N 0 1 213.233 1.383 20 5 BDBDMN COCC[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC000842320626 584892114 /nfs/dbraw/zinc/89/21/14/584892114.db2.gz VWNALWKNEOXCSS-OPRDCNLKSA-N 0 1 245.275 1.256 20 5 BDBDMN C[C@H]1OCC[C@H]1OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000771050818 584995757 /nfs/dbraw/zinc/99/57/57/584995757.db2.gz GSSXWVRWKMJVLG-HTRCEHHLSA-N 0 1 240.215 1.257 20 5 BDBDMN C[C@@H](c1ccco1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839512279 585105974 /nfs/dbraw/zinc/10/59/74/585105974.db2.gz HYXWOLCYFLBZLL-DJLDLDEBSA-N 0 1 238.243 1.464 20 5 BDBDMN C[C@H](c1ccco1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839512280 585106163 /nfs/dbraw/zinc/10/61/63/585106163.db2.gz HYXWOLCYFLBZLL-IWSPIJDZSA-N 0 1 238.243 1.464 20 5 BDBDMN CO[C@H](C)CCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000744308786 585148050 /nfs/dbraw/zinc/14/80/50/585148050.db2.gz RKVZXAQMSACPML-SSDOTTSWSA-N 0 1 242.231 1.505 20 5 BDBDMN C[C@@H]1CCCC[C@@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839578278 585331109 /nfs/dbraw/zinc/33/11/09/585331109.db2.gz YLMYYPOODKAIDA-GWOFURMSSA-N 0 1 240.303 1.594 20 5 BDBDMN CC[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839687238 585335244 /nfs/dbraw/zinc/33/52/44/585335244.db2.gz ZFGSUTOCFZXQOU-HBNTYKKESA-N 0 1 240.303 1.690 20 5 BDBDMN C[C@@]1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCS1 ZINC000839701009 585335827 /nfs/dbraw/zinc/33/58/27/585335827.db2.gz IZKGZZDRWWJQNA-MRTMQBJTSA-N 0 1 244.316 1.054 20 5 BDBDMN CC1(C)CCCC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839702525 585336010 /nfs/dbraw/zinc/33/60/10/585336010.db2.gz QVDUQAUTPSPKLE-BBBLOLIVSA-N 0 1 240.303 1.737 20 5 BDBDMN O=C(NC1(c2ccccc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839673939 585336592 /nfs/dbraw/zinc/33/65/92/585336592.db2.gz LTKXURVVZMREJD-GHMZBOCLSA-N 0 1 246.266 1.457 20 5 BDBDMN O=C(NC/C=C\c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839680898 585337112 /nfs/dbraw/zinc/33/71/12/585337112.db2.gz LRKJMTXHOKRFJA-MGNMTHHWSA-N 0 1 246.266 1.481 20 5 BDBDMN CC(C)=CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839733693 585337491 /nfs/dbraw/zinc/33/74/91/585337491.db2.gz MLLIPBRZPIWWCY-RKDXNWHRSA-N 0 1 212.249 1.124 20 5 BDBDMN Cc1cccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1F ZINC000839721865 585338538 /nfs/dbraw/zinc/33/85/38/585338538.db2.gz ULQMKIGGPZNMMH-VXNVDRBHSA-N 0 1 238.218 1.738 20 5 BDBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCC(C)(C)C1 ZINC000839748163 585340478 /nfs/dbraw/zinc/34/04/78/585340478.db2.gz PGLCJTHQQMXJSA-IVZWLZJFSA-N 0 1 240.303 1.689 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N(CC1CC1)C1CCC1 ZINC000839748683 585340480 /nfs/dbraw/zinc/34/04/80/585340480.db2.gz VSBJSYXALMXFPH-GHMZBOCLSA-N 0 1 238.287 1.443 20 5 BDBDMN CCCC[C@H](C)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839774256 585341008 /nfs/dbraw/zinc/34/10/08/585341008.db2.gz NJMPJQKZUGRBKH-IVZWLZJFSA-N 0 1 228.292 1.689 20 5 BDBDMN C[C@]1(F)CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839777329 585341328 /nfs/dbraw/zinc/34/13/28/585341328.db2.gz AXHIONJHFPGAPC-MRTMQBJTSA-N 0 1 230.239 1.002 20 5 BDBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCC1(F)F ZINC000839777789 585341480 /nfs/dbraw/zinc/34/14/80/585341480.db2.gz SKVAZFAZHBWWGH-BWZBUEFSSA-N 0 1 248.229 1.155 20 5 BDBDMN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000761070690 585404960 /nfs/dbraw/zinc/40/49/60/585404960.db2.gz OKINIQYRNXFPDP-NSHDSACASA-N 0 1 249.314 1.731 20 5 BDBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000839796474 585454172 /nfs/dbraw/zinc/45/41/72/585454172.db2.gz BZCJIZJPJQACLT-RKDXNWHRSA-N 0 1 226.276 1.299 20 5 BDBDMN O=[N+]([O-])c1ccc([C@H](O)CN2CC=CCC2)cc1 ZINC000778968340 585743299 /nfs/dbraw/zinc/74/32/99/585743299.db2.gz ZEMFQEBQHPFLQA-CYBMUJFWSA-N 0 1 248.282 1.890 20 5 BDBDMN CCN(CCc1ccccc1)CC[N+](=O)[O-] ZINC000791054780 585973406 /nfs/dbraw/zinc/97/34/06/585973406.db2.gz XSVSYLLBQCLLCG-UHFFFAOYSA-N 0 1 222.288 1.828 20 5 BDBDMN C[C@@]1(COC(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H]1F ZINC000822098603 587152236 /nfs/dbraw/zinc/15/22/36/587152236.db2.gz IJQHIRJFCVIMED-XCBNKYQSSA-N 0 1 242.206 1.828 20 5 BDBDMN Cc1ncc(COC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC000840670308 587915891 /nfs/dbraw/zinc/91/58/91/587915891.db2.gz RTRSCHIKHQYCKH-HTQZYQBOSA-N 0 1 242.256 1.160 20 5 BDBDMN CC(C)(C)SCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842310169 588016003 /nfs/dbraw/zinc/01/60/03/588016003.db2.gz IEZWQWZRAZIHGK-HTQZYQBOSA-N 0 1 247.316 1.727 20 5 BDBDMN O=C(OCCc1ccoc1)[C@@H]1CC1[N+](=O)[O-] ZINC000842339960 588019863 /nfs/dbraw/zinc/01/98/63/588019863.db2.gz PQOUXHNCRIJQDA-RKDXNWHRSA-N 0 1 225.200 1.031 20 5 BDBDMN O=C(OCC(C1CC1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000842346353 588020661 /nfs/dbraw/zinc/02/06/61/588020661.db2.gz GJYNNKFYBGADJP-MWLCHTKSSA-N 0 1 239.271 1.631 20 5 BDBDMN CO[C@@](C)(COC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000842366224 588021912 /nfs/dbraw/zinc/02/19/12/588021912.db2.gz FKZKCGQEPMKQKQ-KKZNHRDASA-N 0 1 243.259 1.010 20 5 BDBDMN C[C@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])CC(F)F ZINC000842440379 588026238 /nfs/dbraw/zinc/02/62/38/588026238.db2.gz JULUKVGAOLLONL-RRKCRQDMSA-N 0 1 237.202 1.486 20 5 BDBDMN CNCc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000843219072 588093768 /nfs/dbraw/zinc/09/37/68/588093768.db2.gz SJPMTEAENGKDLJ-UHFFFAOYSA-N 0 1 240.244 1.426 20 5 BDBDMN O=[N+]([O-])c1cnn(CN2C[C@@H]3CC=CC[C@@H]3C2)c1 ZINC000872712713 589963989 /nfs/dbraw/zinc/96/39/89/589963989.db2.gz XVVUWJKYRXCEBH-PHIMTYICSA-N 0 1 248.286 1.647 20 5 BDBDMN COC[C@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC000893463185 634515281 /nfs/dbraw/zinc/51/52/81/634515281.db2.gz XXKLMWQPPBHQMJ-OPRDCNLKSA-N 0 1 245.275 1.113 20 5 BDBDMN O=C(OC[C@]12C[C@H]1CCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000893629913 635346305 /nfs/dbraw/zinc/34/63/05/635346305.db2.gz MYHVAMYJLJKURC-CDLYGTGVSA-N 0 1 225.244 1.385 20 5 BDBDMN CN(Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000192763992 636956029 /nfs/dbraw/zinc/95/60/29/636956029.db2.gz ACLJQADTTUFCMB-UHFFFAOYSA-N 0 1 224.264 1.623 20 5 BDBDMN CCOCc1ccc(CNCC[N+](=O)[O-])cc1 ZINC000905037165 637556579 /nfs/dbraw/zinc/55/65/79/637556579.db2.gz WKPDVFQAAMDKKY-UHFFFAOYSA-N 0 1 238.287 1.589 20 5 BDBDMN Cc1cc(C)c(CNCC[N+](=O)[O-])c(C)c1 ZINC000905038062 637557166 /nfs/dbraw/zinc/55/71/66/637557166.db2.gz NCLUXFUELYUVAB-UHFFFAOYSA-N 0 1 222.288 1.978 20 5 BDBDMN C[C@H](COc1cccc(F)c1)NCC[N+](=O)[O-] ZINC000905059572 637591410 /nfs/dbraw/zinc/59/14/10/637591410.db2.gz OIRXKDMILPRALC-SECBINFHSA-N 0 1 242.250 1.459 20 5 BDBDMN O=[N+]([O-])CCNC/C=C/c1ccccc1 ZINC000905112032 637618556 /nfs/dbraw/zinc/61/85/56/637618556.db2.gz XMZXFDSQDGUTKJ-QPJJXVBHSA-N 0 1 206.245 1.566 20 5 BDBDMN O=[N+]([O-])CCNCc1ccc2cccnc2c1 ZINC000905398337 637795788 /nfs/dbraw/zinc/79/57/88/637795788.db2.gz FLPLNSWBQBUNQQ-UHFFFAOYSA-N 0 1 231.255 1.601 20 5 BDBDMN CC(C)[C@H](C)N(C)Cn1cc([N+](=O)[O-])cn1 ZINC000915208446 641809938 /nfs/dbraw/zinc/80/99/38/641809938.db2.gz MGOHXOACQJMURA-VIFPVBQESA-N 0 1 226.280 1.725 20 5 BDBDMN O=[N+]([O-])c1ccc2c(cnn2CN2CCCC2)c1 ZINC000021318983 643141974 /nfs/dbraw/zinc/14/19/74/643141974.db2.gz KMDDMSVAKDDPRO-UHFFFAOYSA-N 0 1 246.270 1.998 20 5 BDBDMN O=C(NCC[C@@H]1C[C@H]1C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000927405504 645602972 /nfs/dbraw/zinc/60/29/72/645602972.db2.gz FCPIEMUAFWSMCN-LMLFDSFASA-N 0 1 238.287 1.204 20 5 BDBDMN O=[N+]([O-])CCN1CCC[C@@H](Nc2ccccc2)C1 ZINC000930039776 646408000 /nfs/dbraw/zinc/40/80/00/646408000.db2.gz PIGRGMLBRXCJIY-CYBMUJFWSA-N 0 1 249.314 1.840 20 5 BDBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C(C)(C)C ZINC000869538676 712623121 /nfs/dbraw/zinc/62/31/21/712623121.db2.gz OIUSQTYNDXQLQW-BWZBUEFSSA-N 0 1 243.259 1.199 20 5 BDBDMN C[C@H]1SCCN(CC[N+](=O)[O-])[C@@H]1C ZINC000306333059 711468570 /nfs/dbraw/zinc/46/85/70/711468570.db2.gz DSOPXRXUMFGEIN-HTQZYQBOSA-N 0 1 204.295 1.089 20 5 BDBDMN CN1CC[C@H]1CNc1cccc(F)c1[N+](=O)[O-] ZINC000712614346 712438074 /nfs/dbraw/zinc/43/80/74/712438074.db2.gz LBXKOMMQBRBISQ-QMMMGPOBSA-N 0 1 239.250 1.850 20 5 BDBDMN CN1CC[C@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000712618236 712438617 /nfs/dbraw/zinc/43/86/17/712438617.db2.gz VWEMGJVPPYNUGW-VIFPVBQESA-N 0 1 239.250 1.850 20 5 BDBDMN O=C1CC(Oc2cc(O)ccc2[N+](=O)[O-])C1 ZINC001225489977 974528819 /nfs/dbraw/zinc/52/88/19/974528819.db2.gz DZUAQACFPZXYAF-UHFFFAOYSA-N 0 1 223.184 1.411 20 5 BDBDMN [NH2+]=CNc1ccc2c([N+](=O)[O-])cnc-2[n-]1 ZINC001167865509 961339309 /nfs/dbraw/zinc/33/93/09/961339309.db2.gz WRBXSWTZDKUDFU-UHFFFAOYSA-N 0 1 205.177 1.490 20 5 BDBDMN CCOC(=O)c1cc(NC=N)ccc1[N+](=O)[O-] ZINC001167867602 961357757 /nfs/dbraw/zinc/35/77/57/961357757.db2.gz MPOFDFKNGRVDEV-UHFFFAOYSA-N 0 1 237.215 1.790 20 5 BDBDMN Cc1cnc(CN)n1-c1ncc(C)cc1[N+](=O)[O-] ZINC001158163374 963815594 /nfs/dbraw/zinc/81/55/94/963815594.db2.gz UCOAEQPSIIFJSF-UHFFFAOYSA-N 0 1 247.258 1.251 20 5 BDBDMN Cc1cc([N+](=O)[O-])cnc1N1CCN2CC[C@@H]2C1 ZINC001158426329 963868166 /nfs/dbraw/zinc/86/81/66/963868166.db2.gz YEJNDHRNXPIMLP-SNVBAGLBSA-N 0 1 248.286 1.193 20 5 BDBDMN Cc1ncn(C)c1Nc1ccc([N+](=O)[O-])nc1 ZINC001203568566 966695393 /nfs/dbraw/zinc/69/53/93/966695393.db2.gz FFVMRPJPERXZJQ-UHFFFAOYSA-N 0 1 233.231 1.775 20 5 BDBDMN O=C1SCC[C@@H]1N[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168968746 969320937 /nfs/dbraw/zinc/32/09/37/969320937.db2.gz AEVCAGPIEYCRMF-HLTSFMKQSA-N 0 1 244.316 1.054 20 5 BDBDMN CO[C@@H]1CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1F ZINC001169011067 969336691 /nfs/dbraw/zinc/33/66/91/969336691.db2.gz HZWFFJUTNIFJHC-CHWFTXMASA-N 0 1 246.282 1.101 20 5 BDBDMN Nc1cncn1-c1ccc(F)c([N+](=O)[O-])c1 ZINC001211191102 970169481 /nfs/dbraw/zinc/16/94/81/970169481.db2.gz PXYYRLYQBPEAOM-UHFFFAOYSA-N 0 1 222.179 1.502 20 5 BDBDMN CN1CC[C@H](Oc2cccnc2[N+](=O)[O-])C1 ZINC001225628590 974604562 /nfs/dbraw/zinc/60/45/62/974604562.db2.gz PQSHEIRZMIYIOY-QMMMGPOBSA-N 0 1 223.232 1.073 20 5 BDBDMN CN(CCC(F)(F)F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001331332939 974687363 /nfs/dbraw/zinc/68/73/63/974687363.db2.gz FJDGXOONJMLOIJ-PHDIDXHHSA-N 0 1 240.181 1.062 20 5 BDBDMN Cc1ccc([N+](=O)[O-])c(O[C@@H]2CCN(C)C2)n1 ZINC001227066386 975252683 /nfs/dbraw/zinc/25/26/83/975252683.db2.gz JWSPJXVCMIXIBE-SECBINFHSA-N 0 1 237.259 1.381 20 5 BDBDMN Cc1nc(O[C@H](C)C2CC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229375320 976852608 /nfs/dbraw/zinc/85/26/08/976852608.db2.gz BCWNXJGKORUTMU-RXMQYKEDSA-N 0 1 239.231 1.576 20 5 BDBDMN O=[N+]([O-])CCN1CCCC[C@@H]1[C@H]1CCCO1 ZINC001176927325 978249790 /nfs/dbraw/zinc/24/97/90/978249790.db2.gz QWCJKAUPVIVDBR-GHMZBOCLSA-N 0 1 228.292 1.297 20 5 BDBDMN Cc1ccc(C(C)(C)NCC[N+](=O)[O-])cn1 ZINC001341092896 979229059 /nfs/dbraw/zinc/22/90/59/979229059.db2.gz IHEJBYWHBSGMBH-UHFFFAOYSA-N 0 1 223.276 1.491 20 5 BDBDMN CN(Cc1cnc[nH]1)c1ccc([N+](=O)[O-])nc1 ZINC001187006844 980469678 /nfs/dbraw/zinc/46/96/78/980469678.db2.gz CWIQVHMNRWRXFV-UHFFFAOYSA-N 0 1 233.231 1.349 20 5 BDBDMN CCC1(CC)CN(CC[N+](=O)[O-])CCS1 ZINC001354613130 983333886 /nfs/dbraw/zinc/33/38/86/983333886.db2.gz FZOGIYSHJHXKQH-UHFFFAOYSA-N 0 1 232.349 1.871 20 5 BDBDMN CNc1ccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001578759965 985326045 /nfs/dbraw/zinc/32/60/45/985326045.db2.gz FDSBGWSEUAKDIN-NXEZZACHSA-N 0 1 236.227 1.299 20 5 BDBDMN O=C(NC[C@@H]1C=CCC1)c1n[nH]cc1[N+](=O)[O-] ZINC001471563651 987097099 /nfs/dbraw/zinc/09/70/99/987097099.db2.gz SQCVNNUZNZDIBB-SSDOTTSWSA-N 0 1 236.231 1.014 20 5 BDBDMN CO[C@H](CNCC[N+](=O)[O-])c1ccc(F)cc1 ZINC001120376900 989645172 /nfs/dbraw/zinc/64/51/72/989645172.db2.gz NSERZDOCORWGEB-LLVKDONJSA-N 0 1 242.250 1.380 20 5 BDBDMN CC[C@@H](C)CN(C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602450379 349551893 /nfs/dbraw/zinc/55/18/93/349551893.db2.gz VEARUHAUGAVZAK-SECBINFHSA-N 0 1 240.307 1.806 20 5 BDBDMN Cc1noc(-c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000362715493 136268846 /nfs/dbraw/zinc/26/88/46/136268846.db2.gz IQTPOBATGDJJEU-UHFFFAOYSA-N 0 1 221.172 1.659 20 5 BDBDMN Cc1cnc(N2CC(N(C)C)C2)c([N+](=O)[O-])c1 ZINC000611414367 344532327 /nfs/dbraw/zinc/53/23/27/344532327.db2.gz XXWMIHMWUQAMBJ-UHFFFAOYSA-N 0 1 236.275 1.048 20 5 BDBDMN C[C@@H](N[C@H]1CCNC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000594725206 348108220 /nfs/dbraw/zinc/10/82/20/348108220.db2.gz VVSIVIFIMDDGQF-KCJUWKMLSA-N 0 1 249.270 1.134 20 5 BDBDMN Cc1cnc(N(C)Cc2cnc[nH]2)c([N+](=O)[O-])c1 ZINC000596305790 348492149 /nfs/dbraw/zinc/49/21/49/348492149.db2.gz MAVVLLYKJXGDIE-UHFFFAOYSA-N 0 1 247.258 1.658 20 5 BDBDMN CN(CC1CN(C)C1)c1sccc1[N+](=O)[O-] ZINC000596454315 348551658 /nfs/dbraw/zinc/55/16/58/348551658.db2.gz SYOANDQEJUPNPS-UHFFFAOYSA-N 0 1 241.316 1.654 20 5 BDBDMN Cc1[nH]ncc1CNc1ncccc1[N+](=O)[O-] ZINC000038011926 179858985 /nfs/dbraw/zinc/85/89/85/179858985.db2.gz XCIMHBRQWXYMGU-UHFFFAOYSA-N 0 1 233.231 1.633 20 5 BDBDMN C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1nnc[nH]1 ZINC000219650567 134288950 /nfs/dbraw/zinc/28/89/50/134288950.db2.gz GMIKHUMRZXSTDS-ZCFIWIBFSA-N 0 1 234.219 1.281 20 5 BDBDMN Cc1ccc([N+](=O)[O-])c(NCc2nnc[nH]2)n1 ZINC000162601244 371724869 /nfs/dbraw/zinc/72/48/69/371724869.db2.gz ZAGZBHBKKMHAHF-UHFFFAOYSA-N 0 1 234.219 1.028 20 5 BDBDMN Cc1[nH]ncc1CN(C)c1cccnc1[N+](=O)[O-] ZINC000601180972 371735013 /nfs/dbraw/zinc/73/50/13/371735013.db2.gz BCPVULSTRMAFJJ-UHFFFAOYSA-N 0 1 247.258 1.658 20 5 BDBDMN C[C@@H]1CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000603266678 371878199 /nfs/dbraw/zinc/87/81/99/371878199.db2.gz LHVVQWPEHMKFLS-SSDOTTSWSA-N 0 1 236.227 1.535 20 5 BDBDMN C[C@H]1CCCCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602758215 371838990 /nfs/dbraw/zinc/83/89/90/371838990.db2.gz DQUWWFIXZLMFTP-VIFPVBQESA-N 0 1 238.291 1.703 20 5 BDBDMN C[C@H]1CC[C@H](C)N1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602788420 371840079 /nfs/dbraw/zinc/84/00/79/371840079.db2.gz PIFAEHYUNYIBGB-IUCAKERBSA-N 0 1 238.291 1.701 20 5 BDBDMN CCOCCNCc1ccccc1[N+](=O)[O-] ZINC000036228364 383887040 /nfs/dbraw/zinc/88/70/40/383887040.db2.gz FSHGQBWXIOJILQ-UHFFFAOYSA-N 0 1 224.260 1.721 20 5 BDBDMN COC[C@H](C)NCc1ccc([N+](=O)[O-])cc1F ZINC000310462988 384177051 /nfs/dbraw/zinc/17/70/51/384177051.db2.gz WFDDPTKEESBPQF-QMMMGPOBSA-N 0 1 242.250 1.858 20 5 BDBDMN O=[N+]([O-])c1cnccc1NCCN1CC=CCC1 ZINC000338710334 385270339 /nfs/dbraw/zinc/27/03/39/385270339.db2.gz GGRGJHMGKASKDR-UHFFFAOYSA-N 0 1 248.286 1.086 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC12CCCC2 ZINC000365535235 385368707 /nfs/dbraw/zinc/36/87/07/385368707.db2.gz ITIVKHGYBVWAPB-NXEZZACHSA-N 0 1 238.287 1.587 20 5 BDBDMN CC(C)[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000158959673 385369105 /nfs/dbraw/zinc/36/91/05/385369105.db2.gz WTYFYFLNYGYIKO-LURJTMIESA-N 0 1 226.236 1.092 20 5 BDBDMN CC[C@@H](C)CONC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000293583608 385827777 /nfs/dbraw/zinc/82/77/77/385827777.db2.gz BBXULMSMOPBDGC-ZCFIWIBFSA-N 0 1 242.235 1.025 20 5 BDBDMN Cc1ccnc(N(C)Cc2nnc[nH]2)c1[N+](=O)[O-] ZINC000267721159 386489128 /nfs/dbraw/zinc/48/91/28/386489128.db2.gz BHHVCINLXLKGJQ-UHFFFAOYSA-N 0 1 248.246 1.053 20 5 BDBDMN CN(Cc1nnc[nH]1)c1ccccc1[N+](=O)[O-] ZINC000301365741 386655740 /nfs/dbraw/zinc/65/57/40/386655740.db2.gz QOWQDYADXXDBGW-UHFFFAOYSA-N 0 1 233.231 1.349 20 5 BDBDMN CCN(CC)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269154273 386952309 /nfs/dbraw/zinc/95/23/09/386952309.db2.gz UDMNMJSHQARHSS-UHFFFAOYSA-N 0 1 238.243 1.782 20 5 BDBDMN CCS(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000186556939 387002255 /nfs/dbraw/zinc/00/22/55/387002255.db2.gz ZMIYVEJSJFAYNH-UHFFFAOYSA-N 0 1 245.260 1.060 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC2CCC1CC2 ZINC000371388894 387867602 /nfs/dbraw/zinc/86/76/02/387867602.db2.gz PGOALHOBVDWMEP-BMNUFHGDSA-N 0 1 224.260 1.053 20 5 BDBDMN Cc1ccnc(N[C@H](C)c2nnc[nH]2)c1[N+](=O)[O-] ZINC000226500258 388351603 /nfs/dbraw/zinc/35/16/03/388351603.db2.gz UPZMHHZHGKVVSY-SSDOTTSWSA-N 0 1 248.246 1.589 20 5 BDBDMN Cc1[nH]nc(C(=O)N2[C@H](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000526931445 388696289 /nfs/dbraw/zinc/69/62/89/388696289.db2.gz NDUHYNCFXBCTTB-PHDIDXHHSA-N 0 1 238.247 1.249 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CCC2)CC1 ZINC000376469259 388722287 /nfs/dbraw/zinc/72/22/87/388722287.db2.gz ZVDBMLABCCFESH-NXEZZACHSA-N 0 1 238.287 1.444 20 5 BDBDMN Cc1ccc(NCc2nn[nH]n2)c([N+](=O)[O-])c1 ZINC000044931677 411142544 /nfs/dbraw/zinc/14/25/44/411142544.db2.gz LSNGKNNFODPBNT-UHFFFAOYSA-N 0 1 234.219 1.028 20 5 BDBDMN CC1(NC(=O)c2n[nH]cc2[N+](=O)[O-])CCCC1 ZINC000270821906 168062587 /nfs/dbraw/zinc/06/25/87/168062587.db2.gz RERJWRIQTLQEEK-UHFFFAOYSA-N 0 1 238.247 1.380 20 5 BDBDMN C[C@@H]1CC2(CCC2)CN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000365322112 176057995 /nfs/dbraw/zinc/05/79/95/176057995.db2.gz QTWYUXMDWSDCOW-UTLUCORTSA-N 0 1 238.287 1.443 20 5 BDBDMN C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000351956986 176306806 /nfs/dbraw/zinc/30/68/06/176306806.db2.gz DTQOASSSMZZCST-SKDRFNHKSA-N 0 1 236.271 1.407 20 5 BDBDMN C[C@H](c1ccccc1[N+](=O)[O-])N(C)CCCO ZINC000281956244 177042405 /nfs/dbraw/zinc/04/24/05/177042405.db2.gz UUHKWXZWSPXYHV-SNVBAGLBSA-N 0 1 238.287 1.970 20 5 BDBDMN C[C@H]1CCC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000152788874 177126064 /nfs/dbraw/zinc/12/60/64/177126064.db2.gz GYKAONNMTYHKLS-BQBZGAKWSA-N 0 1 238.247 1.236 20 5 BDBDMN CC[C@@H](C(=O)OC[C@@H](C)[N+](=O)[O-])N(CC)CC ZINC000813115120 582591915 /nfs/dbraw/zinc/59/19/15/582591915.db2.gz KURSRBWXOFGJMP-ZJUUUORDSA-N 0 1 246.307 1.315 20 5 BDBDMN CC[C@H](C)N(CC)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000855144292 588823845 /nfs/dbraw/zinc/82/38/45/588823845.db2.gz BVUSGTICUHGREV-DJLDLDEBSA-N 0 1 214.265 1.299 20 5 BDBDMN CC[C@@H](C)N(CC)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000855144293 588823882 /nfs/dbraw/zinc/82/38/82/588823882.db2.gz BVUSGTICUHGREV-IWSPIJDZSA-N 0 1 214.265 1.299 20 5 BDBDMN O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC000855777309 588847653 /nfs/dbraw/zinc/84/76/53/588847653.db2.gz SPEHFQXFFMMGPN-FBDQPXRJSA-N 0 1 238.287 1.204 20 5 BDBDMN CC/C=C/CCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673514 583424423 /nfs/dbraw/zinc/42/44/23/583424423.db2.gz QWQQUHUNZWAHKU-HUGTUPKYSA-N 0 1 213.233 1.551 20 5 BDBDMN O=C(Oc1ccc2cc[nH]c2c1)[C@@H]1CC1[N+](=O)[O-] ZINC000841230950 583552438 /nfs/dbraw/zinc/55/24/38/583552438.db2.gz OGXMAZUHKIJQAE-MWLCHTKSSA-N 0 1 246.222 1.739 20 5 BDBDMN O=C(Nc1cncc(Cl)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000895075713 583580978 /nfs/dbraw/zinc/58/09/78/583580978.db2.gz FZVBVMHPFVMLDQ-HTQZYQBOSA-N 0 1 241.634 1.339 20 5 BDBDMN O=[N+]([O-])c1ccnn1CN1CCC[C@H]1C1CC1 ZINC000728559838 583898097 /nfs/dbraw/zinc/89/80/97/583898097.db2.gz LIDBQOJBGXIXFD-JTQLQIEISA-N 0 1 236.275 1.623 20 5 BDBDMN COCc1ccc(CNCC[N+](=O)[O-])cc1 ZINC000899871566 584244541 /nfs/dbraw/zinc/24/45/41/584244541.db2.gz SILSKOVLAPOWJB-UHFFFAOYSA-N 0 1 224.260 1.199 20 5 BDBDMN CCCC[C@@H](CC)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839495538 585105490 /nfs/dbraw/zinc/10/54/90/585105490.db2.gz IPUUIVCQSVVDMS-GMTAPVOTSA-N 0 1 242.319 1.984 20 5 BDBDMN CC[C@H]1CCCC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839524484 585105867 /nfs/dbraw/zinc/10/58/67/585105867.db2.gz HEGKEJBVVGLPSB-LNFKQOIKSA-N 0 1 240.303 1.737 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H]1c1ccccc1 ZINC000839528571 585146850 /nfs/dbraw/zinc/14/68/50/585146850.db2.gz PVHROWTWEDBFCT-IJLUTSLNSA-N 0 1 246.266 1.625 20 5 BDBDMN C[C@@H](CCC(C)(C)C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839686473 585335240 /nfs/dbraw/zinc/33/52/40/585335240.db2.gz PQGAKOJZSJGKBQ-IVZWLZJFSA-N 0 1 242.319 1.983 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]2CCC[C@H]21 ZINC000839692218 585335352 /nfs/dbraw/zinc/33/53/52/585335352.db2.gz JCZKMYMEARMYON-LNFKQOIKSA-N 0 1 238.287 1.443 20 5 BDBDMN CC(C)[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839701729 585335817 /nfs/dbraw/zinc/33/58/17/585335817.db2.gz SGTYBBPPHILNAL-IVZWLZJFSA-N 0 1 226.276 1.156 20 5 BDBDMN C[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839671946 585336244 /nfs/dbraw/zinc/33/62/44/585336244.db2.gz CMIGSEKAOACRBR-ZYUZMQFOSA-N 0 1 226.276 1.347 20 5 BDBDMN C[C@@H]1CCSCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839733310 585337011 /nfs/dbraw/zinc/33/70/11/585337011.db2.gz HYZXCMCXCNBOAW-IWSPIJDZSA-N 0 1 244.316 1.006 20 5 BDBDMN CC1(C)CCC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839735170 585337420 /nfs/dbraw/zinc/33/74/20/585337420.db2.gz XQAGQLLPGPSGIH-IVZWLZJFSA-N 0 1 240.303 1.737 20 5 BDBDMN CSC[C@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839708440 585337818 /nfs/dbraw/zinc/33/78/18/585337818.db2.gz XMWIIIJGIFAEKR-IWSPIJDZSA-N 0 1 244.316 1.006 20 5 BDBDMN CC[C@H]1[C@@H](C)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839728395 585338870 /nfs/dbraw/zinc/33/88/70/585338870.db2.gz LWNQRMLRGVHJGD-QCLAVDOMSA-N 0 1 226.276 1.299 20 5 BDBDMN C[C@H](C1CC1)N(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000840263339 586583059 /nfs/dbraw/zinc/58/30/59/586583059.db2.gz OUKBGOJILYVUQJ-AVPPRXQKSA-N 0 1 238.287 1.441 20 5 BDBDMN CC(C)N(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCC1 ZINC000840359036 586889432 /nfs/dbraw/zinc/88/94/32/586889432.db2.gz DSIGDWIVOUYSQR-NXEZZACHSA-N 0 1 226.276 1.441 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N(C1CCC1)C1CCC1 ZINC000840463494 587105895 /nfs/dbraw/zinc/10/58/95/587105895.db2.gz YETZLOMEHQJMRQ-GHMZBOCLSA-N 0 1 238.287 1.585 20 5 BDBDMN Cc1ccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])cc1C ZINC000841003427 587934588 /nfs/dbraw/zinc/93/45/88/587934588.db2.gz UOAJWTOILQUGIO-GHMZBOCLSA-N 0 1 235.239 1.874 20 5 BDBDMN CO[C@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])CC(C)C ZINC000842104661 588000262 /nfs/dbraw/zinc/00/02/62/588000262.db2.gz RLUVSQBZJUSEEA-IVZWLZJFSA-N 0 1 245.275 1.256 20 5 BDBDMN O=C(OCCCC(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000842104956 588000293 /nfs/dbraw/zinc/00/02/93/588000293.db2.gz XPJJBSPNJWNUEB-PHDIDXHHSA-N 0 1 241.165 1.537 20 5 BDBDMN O=C(OC[C@@H]1CCCS1)[C@@H]1CC1[N+](=O)[O-] ZINC000842315875 588016966 /nfs/dbraw/zinc/01/69/66/588016966.db2.gz YQRJMENPRHDCKG-XLPZGREQSA-N 0 1 231.273 1.090 20 5 BDBDMN CC(C)[C@H]1C[C@H]1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842335829 588019120 /nfs/dbraw/zinc/01/91/20/588019120.db2.gz GMHSOCUDSMCFPD-SGIHWFKDSA-N 0 1 227.260 1.487 20 5 BDBDMN CO[C@@H]1C[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1(C)C ZINC000842379704 588023051 /nfs/dbraw/zinc/02/30/51/588023051.db2.gz DZVFVDBLLWIAMV-BGZDPUMWSA-N 0 1 243.259 1.008 20 5 BDBDMN O=C(OCC1CC2(CCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000851480631 588606823 /nfs/dbraw/zinc/60/68/23/588606823.db2.gz XDJHIODGFRPCME-NXEZZACHSA-N 0 1 239.271 1.775 20 5 BDBDMN C[C@H](CO)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872023076 589856821 /nfs/dbraw/zinc/85/68/21/589856821.db2.gz BXHJGYOGQRDXGC-SFYZADRCSA-N 0 1 242.250 1.765 20 5 BDBDMN CCCCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000889524801 592617204 /nfs/dbraw/zinc/61/72/04/592617204.db2.gz DKYKXDISOXWDSS-RKDXNWHRSA-N 0 1 226.276 1.491 20 5 BDBDMN C[C@@H](COc1ccccc1)NCC[N+](=O)[O-] ZINC000905056398 637587418 /nfs/dbraw/zinc/58/74/18/637587418.db2.gz ZACCOLISEMKZJQ-JTQLQIEISA-N 0 1 224.260 1.320 20 5 BDBDMN O=[N+]([O-])CCNCc1ccc(-n2ccnc2)cc1 ZINC000905066794 637597561 /nfs/dbraw/zinc/59/75/61/637597561.db2.gz SJDKXIPCQQDXPE-UHFFFAOYSA-N 0 1 246.270 1.239 20 5 BDBDMN C[C@@]1(c2ccccc2)C[C@H]1NCC[N+](=O)[O-] ZINC000905135219 637643575 /nfs/dbraw/zinc/64/35/75/637643575.db2.gz JBICYVLJCJYRKX-NEPJUHHUSA-N 0 1 220.272 1.583 20 5 BDBDMN C[C@@H](CNCC[N+](=O)[O-])Oc1cccc(F)c1 ZINC000905133520 637644167 /nfs/dbraw/zinc/64/41/67/637644167.db2.gz FAWSDHLOLJKKIT-VIFPVBQESA-N 0 1 242.250 1.459 20 5 BDBDMN CCc1cnccc1CNCC[N+](=O)[O-] ZINC000905199478 637694001 /nfs/dbraw/zinc/69/40/01/637694001.db2.gz ARXZRYAXIIROMC-UHFFFAOYSA-N 0 1 209.249 1.010 20 5 BDBDMN O=[N+]([O-])CCN[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000905243540 637702792 /nfs/dbraw/zinc/70/27/92/637702792.db2.gz JYBKJBDDNFDIHR-GMSGAONNSA-N 0 1 242.225 1.687 20 5 BDBDMN Cc1csc(CNCC[N+](=O)[O-])c1 ZINC000905271511 637730195 /nfs/dbraw/zinc/73/01/95/637730195.db2.gz DKWQSAKDHKZTSG-UHFFFAOYSA-N 0 1 200.263 1.423 20 5 BDBDMN CCc1ccc([C@@H](O)CNCC[N+](=O)[O-])cc1 ZINC000905366754 637789289 /nfs/dbraw/zinc/78/92/89/637789289.db2.gz HVAVDFSOGXWLRO-LBPRGKRZSA-N 0 1 238.287 1.149 20 5 BDBDMN C[C@H]1CN(C)c2ccccc2CN1CC[N+](=O)[O-] ZINC000931106052 640067438 /nfs/dbraw/zinc/06/74/38/640067438.db2.gz VLHDEBJLKWZJSI-NSHDSACASA-N 0 1 249.314 1.604 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC=CC12CCCC2 ZINC000913205957 640332057 /nfs/dbraw/zinc/33/20/57/640332057.db2.gz KSFLWXWTYMKCJQ-NXEZZACHSA-N 0 1 236.271 1.363 20 5 BDBDMN CSC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000869644246 645748237 /nfs/dbraw/zinc/74/82/37/645748237.db2.gz MPTUIPGEXRPPBD-RKDXNWHRSA-N 0 1 244.316 1.006 20 5 BDBDMN COC1(C)CN([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169005998 969330192 /nfs/dbraw/zinc/33/01/92/969330192.db2.gz FBYSSLLCIGWNDT-UWVGGRQHSA-N 0 1 228.292 1.153 20 5 BDBDMN Cc1cnc(N2CCN3CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001158425895 963867257 /nfs/dbraw/zinc/86/72/57/963867257.db2.gz TUFFJAPFKHFOQR-JTQLQIEISA-N 0 1 248.286 1.193 20 5 BDBDMN Cc1cc([N+](=O)[O-])cnc1N1CC2(CN(C)C2)C1 ZINC001158859846 963943923 /nfs/dbraw/zinc/94/39/23/963943923.db2.gz OWCUICVWHOPNSV-UHFFFAOYSA-N 0 1 248.286 1.050 20 5 BDBDMN C[C@H]1COC[C@H]1NCc1csc([N+](=O)[O-])c1 ZINC000699765295 966076732 /nfs/dbraw/zinc/07/67/32/966076732.db2.gz YIRRAHXZHFZGDG-IONNQARKSA-N 0 1 242.300 1.781 20 5 BDBDMN O=[N+]([O-])c1ccc(Nc2ccnc(CO)c2)cn1 ZINC001203568591 966695160 /nfs/dbraw/zinc/69/51/60/966695160.db2.gz FUJBDKLNUVSZNT-UHFFFAOYSA-N 0 1 246.226 1.621 20 5 BDBDMN O=[N+]([O-])C[C@@H]1CC[C@H](NCC(F)F)C1 ZINC001168958053 969306149 /nfs/dbraw/zinc/30/61/49/969306149.db2.gz LGTSCEPEOMCZKK-RQJHMYQMSA-N 0 1 208.208 1.287 20 5 BDBDMN O=[N+]([O-])C[C@@H]1CC[C@H](NCc2ncccn2)C1 ZINC001168963132 969314561 /nfs/dbraw/zinc/31/45/61/969314561.db2.gz NSNFFSKZHOVIAV-ZJUUUORDSA-N 0 1 236.275 1.012 20 5 BDBDMN C[C@H]1CC(=O)CCN1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038548 969355131 /nfs/dbraw/zinc/35/51/31/969355131.db2.gz ZKNAVUONWRUHHP-GARJFASQSA-N 0 1 240.303 1.485 20 5 BDBDMN C[C@@H](NCC[N+](=O)[O-])c1cccs1 ZINC001169431200 969642279 /nfs/dbraw/zinc/64/22/79/969642279.db2.gz ZDTZYOLXHIQJEC-SSDOTTSWSA-N 0 1 200.263 1.675 20 5 BDBDMN Cc1cnc(N[C@H]2CCN(C)C2)c([N+](=O)[O-])c1 ZINC000090692137 969884736 /nfs/dbraw/zinc/88/47/36/969884736.db2.gz BGXUQXHQJOHMBV-VIFPVBQESA-N 0 1 236.275 1.414 20 5 BDBDMN CN1CC[C@@H](Oc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001225574498 974559306 /nfs/dbraw/zinc/55/93/06/974559306.db2.gz DDPQZTNGKHZRFE-SECBINFHSA-N 0 1 240.234 1.817 20 5 BDBDMN O=[N+]([O-])c1ncccc1O[C@H]1CN2CCC1CC2 ZINC001225629598 974605947 /nfs/dbraw/zinc/60/59/47/974605947.db2.gz QHOIPTIVNZMCGG-NSHDSACASA-N 0 1 249.270 1.463 20 5 BDBDMN Cc1nc(O[C@@H](C)C(C)C)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229380289 976849878 /nfs/dbraw/zinc/84/98/78/976849878.db2.gz KHLINQGMIHKOJE-LURJTMIESA-N 0 1 241.247 1.822 20 5 BDBDMN CN1CC(Oc2cc3[nH]ncc3cc2[N+](=O)[O-])C1 ZINC001230595647 977266128 /nfs/dbraw/zinc/26/61/28/977266128.db2.gz MEHURAXPZOZKCX-UHFFFAOYSA-N 0 1 248.242 1.164 20 5 BDBDMN O=[N+]([O-])CCN1CCCC[C@H]1[C@H]1CCCO1 ZINC001176927329 978247645 /nfs/dbraw/zinc/24/76/45/978247645.db2.gz QWCJKAUPVIVDBR-WDEREUQCSA-N 0 1 228.292 1.297 20 5 BDBDMN O=[N+]([O-])CCN1CC[C@H](Cc2ccncc2)C1 ZINC001354585745 983324009 /nfs/dbraw/zinc/32/40/09/983324009.db2.gz YBXBHERMTXBTHS-GFCCVEGCSA-N 0 1 235.287 1.223 20 5 BDBDMN NCC(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001580213681 986659873 /nfs/dbraw/zinc/65/98/73/986659873.db2.gz MXPHMYAQICUCMT-UHFFFAOYSA-N 0 1 246.226 1.040 20 5 BDBDMN CC[C@@](C)(C(=O)[O-])[N@@H+](CC[N+](=O)[O-])CC1CC1 ZINC001594787688 987862533 /nfs/dbraw/zinc/86/25/33/987862533.db2.gz KVECOXMFHDEOHA-NSHDSACASA-N 0 1 244.291 1.228 20 5 BDBDMN O=[N+]([O-])[C@@H]1C[C@H]1c1nnc(-c2ccccn2)o1 ZINC001326943291 989784262 /nfs/dbraw/zinc/78/42/62/989784262.db2.gz ILPMBBZNRNTRGE-HTRCEHHLSA-N 0 1 232.199 1.264 20 5 BDBDMN CC[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCC1 ZINC001123124194 990517118 /nfs/dbraw/zinc/51/71/18/990517118.db2.gz FQTMUJPVZNAPSS-BBBLOLIVSA-N 0 1 227.260 1.774 20 5 BDBDMN Cc1c(Nc2ncc([N+](=O)[O-])cn2)cnn1C ZINC000354611210 398323942 /nfs/dbraw/zinc/32/39/42/398323942.db2.gz XLEOOAKGJMAUEH-UHFFFAOYSA-N 0 1 234.219 1.170 20 5 BDBDMN CCC[C@H](CC)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000123679490 398338528 /nfs/dbraw/zinc/33/85/28/398338528.db2.gz RLDOAFVZDRWTGG-ZETCQYMHSA-N 0 1 240.263 1.626 20 5 BDBDMN Cc1cccc([N+](=O)[O-])c1NCCc1nc[nH]n1 ZINC000124265667 179206627 /nfs/dbraw/zinc/20/66/27/179206627.db2.gz JDPNAYXYCWKYJN-UHFFFAOYSA-N 0 1 247.258 1.676 20 5 BDBDMN C[C@H](CCO)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000593110389 347861082 /nfs/dbraw/zinc/86/10/82/347861082.db2.gz WKMOHKOKENEYNY-SNVBAGLBSA-N 0 1 238.287 1.798 20 5 BDBDMN C[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)CO1 ZINC000402206862 350043891 /nfs/dbraw/zinc/04/38/91/350043891.db2.gz IBMDPUDDEMBKHC-IONNQARKSA-N 0 1 242.300 1.923 20 5 BDBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CCC2)c1 ZINC000269654041 187509216 /nfs/dbraw/zinc/50/92/16/187509216.db2.gz NLHICODLSKDBMS-LLVKDONJSA-N 0 1 222.244 1.334 20 5 BDBDMN C[C@H]1CN(C)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000353603119 188061606 /nfs/dbraw/zinc/06/16/06/188061606.db2.gz FVQJOGPLCPHRER-NSHDSACASA-N 0 1 249.314 1.731 20 5 BDBDMN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(N)=O ZINC000035149286 355852907 /nfs/dbraw/zinc/85/29/07/355852907.db2.gz BDYUBJBRMAUCNX-HTQZYQBOSA-N 0 1 237.259 1.119 20 5 BDBDMN CC(C)(NC(=O)c1n[nH]cc1[N+](=O)[O-])C(F)F ZINC000619422190 358014038 /nfs/dbraw/zinc/01/40/38/358014038.db2.gz JWTWKWQXZANBMY-UHFFFAOYSA-N 0 1 248.189 1.091 20 5 BDBDMN O=C(NCc1cnc[nH]1)c1ccccc1[N+](=O)[O-] ZINC000088753038 359976280 /nfs/dbraw/zinc/97/62/80/359976280.db2.gz NWXZIPRTKITOPX-UHFFFAOYSA-N 0 1 246.226 1.248 20 5 BDBDMN C[N@@H+](CCC(=O)[O-])Cc1ccccc1[N+](=O)[O-] ZINC000037932927 361398024 /nfs/dbraw/zinc/39/80/24/361398024.db2.gz HUHUIGXHTRCNCO-UHFFFAOYSA-N 0 1 238.243 1.501 20 5 BDBDMN COCc1cc(=O)n(-c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000105668930 369062073 /nfs/dbraw/zinc/06/20/73/369062073.db2.gz UGUKBWHTOGWZGN-UHFFFAOYSA-N 0 1 249.226 1.334 20 5 BDBDMN CC(C)[C@@H]1C[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000458109586 203134479 /nfs/dbraw/zinc/13/44/79/203134479.db2.gz FRFKZHKCIIEOAA-NKWVEPMBSA-N 0 1 238.247 1.092 20 5 BDBDMN CCCCN(C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602429304 371803441 /nfs/dbraw/zinc/80/34/41/371803441.db2.gz PILZZDROXOMWGN-UHFFFAOYSA-N 0 1 226.280 1.560 20 5 BDBDMN CC1(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000279611796 168020369 /nfs/dbraw/zinc/02/03/69/168020369.db2.gz BVOKMIWMBVQXAQ-UHFFFAOYSA-N 0 1 238.247 1.238 20 5 BDBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC1 ZINC000073521651 384256524 /nfs/dbraw/zinc/25/65/24/384256524.db2.gz CMVCVCCJBLMYQQ-UHFFFAOYSA-N 0 1 246.226 1.317 20 5 BDBDMN O=[N+]([O-])c1ccc(CN2CCCOCC2)cc1 ZINC000363378351 384469674 /nfs/dbraw/zinc/46/96/74/384469674.db2.gz VJAXKNRHBIJLLI-UHFFFAOYSA-N 0 1 236.271 1.817 20 5 BDBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCCC12CCCC2 ZINC000365535947 385383223 /nfs/dbraw/zinc/38/32/23/385383223.db2.gz ITIVKHGYBVWAPB-UWVGGRQHSA-N 0 1 238.287 1.587 20 5 BDBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCCC12CCCC2 ZINC000365535948 385383866 /nfs/dbraw/zinc/38/38/66/385383866.db2.gz ITIVKHGYBVWAPB-VHSXEESVSA-N 0 1 238.287 1.587 20 5 BDBDMN O=[N+]([O-])c1cc(CNC2(CO)CC2)cs1 ZINC000120336685 385690807 /nfs/dbraw/zinc/69/08/07/385690807.db2.gz ZNAQGCMDRUPYQR-UHFFFAOYSA-N 0 1 228.273 1.271 20 5 BDBDMN Cc1ccc([N+](=O)[O-])c(=NOCC(C)(C)O)[nH]1 ZINC000290944181 385745162 /nfs/dbraw/zinc/74/51/62/385745162.db2.gz LVIVWVSSTSGPKB-UHFFFAOYSA-N 0 1 241.247 1.413 20 5 BDBDMN C[C@@H](Nc1ncc([N+](=O)[O-])s1)c1nnc[nH]1 ZINC000190338066 386666408 /nfs/dbraw/zinc/66/64/08/386666408.db2.gz CZWJSOQCNBRLIZ-SCSAIBSYSA-N 0 1 240.248 1.343 20 5 BDBDMN Cc1nc([C@H](C)Nc2ccc([N+](=O)[O-])cn2)n[nH]1 ZINC000286247698 387319373 /nfs/dbraw/zinc/31/93/73/387319373.db2.gz DHIFJGBNVMGMLJ-LURJTMIESA-N 0 1 248.246 1.589 20 5 BDBDMN CCCC(C)(C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000555587655 388804165 /nfs/dbraw/zinc/80/41/65/388804165.db2.gz FJGGWMIZEFAWAM-UHFFFAOYSA-N 0 1 240.263 1.626 20 5 BDBDMN CC1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCC1 ZINC000133881566 168039420 /nfs/dbraw/zinc/03/94/20/168039420.db2.gz XGJPISVHZINFKR-UHFFFAOYSA-N 0 1 238.247 1.238 20 5 BDBDMN CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CC1 ZINC000269167246 172337985 /nfs/dbraw/zinc/33/79/85/172337985.db2.gz GCDVMWQNLQRHOI-UHFFFAOYSA-N 0 1 236.227 1.535 20 5 BDBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(C)CC1 ZINC000066404931 177038129 /nfs/dbraw/zinc/03/81/29/177038129.db2.gz KUUIMCNLXAAFOO-LLVKDONJSA-N 0 1 249.314 1.903 20 5 BDBDMN C[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)C[C@@H]1C ZINC000355339051 177260023 /nfs/dbraw/zinc/26/00/23/177260023.db2.gz HSSXANMUMDSVQQ-IUCAKERBSA-N 0 1 238.291 1.416 20 5 BDBDMN C[C@@H]1C[C@H](C)CN1Cc1c([N+](=O)[O-])ncn1C ZINC000355343955 177318893 /nfs/dbraw/zinc/31/88/93/177318893.db2.gz PKGFYIPXEOJNKN-DTWKUNHWSA-N 0 1 238.291 1.559 20 5 BDBDMN O=C(N[C@H]1C=CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000154069139 326128484 /nfs/dbraw/zinc/12/84/84/326128484.db2.gz JMNUYSMMINLBCF-ZETCQYMHSA-N 0 1 236.231 1.156 20 5 BDBDMN CC1(C)C(C)(C)C1(C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000891163992 582617939 /nfs/dbraw/zinc/61/79/39/582617939.db2.gz VGUDYLUQBVHKCN-HTQZYQBOSA-N 0 1 240.303 1.593 20 5 BDBDMN C[C@H](COC(=O)c1ccc2cncn2c1)[N+](=O)[O-] ZINC000813104585 582580855 /nfs/dbraw/zinc/58/08/55/582580855.db2.gz FAKFLFRNYKURCZ-MRVPVSSYSA-N 0 1 249.226 1.156 20 5 BDBDMN CC[C@@H](C(=O)OC[C@H](C)[N+](=O)[O-])N(CC)CC ZINC000813115118 582592045 /nfs/dbraw/zinc/59/20/45/582592045.db2.gz KURSRBWXOFGJMP-UWVGGRQHSA-N 0 1 246.307 1.315 20 5 BDBDMN O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC000855777317 588847604 /nfs/dbraw/zinc/84/76/04/588847604.db2.gz SPEHFQXFFMMGPN-ZKKRXERASA-N 0 1 238.287 1.204 20 5 BDBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccnc1 ZINC000840671407 583407115 /nfs/dbraw/zinc/40/71/15/583407115.db2.gz UJFQIWWZXQTVMU-FXBDTBDDSA-N 0 1 236.227 1.351 20 5 BDBDMN O=[N+]([O-])c1ccccc1CNC[C@H]1COCO1 ZINC000894870193 583539432 /nfs/dbraw/zinc/53/94/32/583539432.db2.gz JDNGIJHSSPVXRO-JTQLQIEISA-N 0 1 238.243 1.057 20 5 BDBDMN COc1ccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000841000863 583988105 /nfs/dbraw/zinc/98/81/05/583988105.db2.gz GOCQKMVBAIWFIC-NXEZZACHSA-N 0 1 237.211 1.266 20 5 BDBDMN C[C@@H]1CCCC[C@H]1OCCNCC[N+](=O)[O-] ZINC000899871908 584244358 /nfs/dbraw/zinc/24/43/58/584244358.db2.gz VIJJCUKQKKTZSA-GHMZBOCLSA-N 0 1 230.308 1.448 20 5 BDBDMN C[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1C ZINC000839472612 585105066 /nfs/dbraw/zinc/10/50/66/585105066.db2.gz CPDQULPEDRNWBA-ISUQUUIWSA-N 0 1 240.303 1.593 20 5 BDBDMN C[C@H]1CCC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839510274 585105988 /nfs/dbraw/zinc/10/59/88/585105988.db2.gz YNSVGSXIMSHKJI-AXTSPUMRSA-N 0 1 226.276 1.347 20 5 BDBDMN O=C(NC[C@H]1Cc2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000839549041 585330357 /nfs/dbraw/zinc/33/03/57/585330357.db2.gz VHEJSVFBQZPVKC-YUSALJHKSA-N 0 1 246.266 1.108 20 5 BDBDMN C[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1C ZINC000839688253 585335173 /nfs/dbraw/zinc/33/51/73/585335173.db2.gz BLVYCUNPZWXUHL-ZYUZMQFOSA-N 0 1 226.276 1.299 20 5 BDBDMN CC[C@H]1CCCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839694279 585335582 /nfs/dbraw/zinc/33/55/82/585335582.db2.gz MVOFPFJFPGSMFW-HBNTYKKESA-N 0 1 240.303 1.833 20 5 BDBDMN C[C@@H]1CCC[C@@H](C)C1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839696358 585335672 /nfs/dbraw/zinc/33/56/72/585335672.db2.gz KDGNVUGTRWIXIV-ZYUZMQFOSA-N 0 1 240.303 1.593 20 5 BDBDMN C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)(C)C ZINC000839682582 585337013 /nfs/dbraw/zinc/33/70/13/585337013.db2.gz FQWBDUFOBSBTCQ-DJLDLDEBSA-N 0 1 228.292 1.450 20 5 BDBDMN C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839735341 585337527 /nfs/dbraw/zinc/33/75/27/585337527.db2.gz YJCPZIVYBIOTSL-RCZSTQMZSA-N 0 1 240.303 1.545 20 5 BDBDMN CSC[C@@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839708436 585337630 /nfs/dbraw/zinc/33/76/30/585337630.db2.gz XMWIIIJGIFAEKR-DJLDLDEBSA-N 0 1 244.316 1.006 20 5 BDBDMN CCC[C@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839727041 585338719 /nfs/dbraw/zinc/33/87/19/585338719.db2.gz UPAXTLYORQRJLA-HBNTYKKESA-N 0 1 240.303 1.833 20 5 BDBDMN CC[C@H]1[C@H](C)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839728393 585338851 /nfs/dbraw/zinc/33/88/51/585338851.db2.gz LWNQRMLRGVHJGD-DOLQZWNJSA-N 0 1 226.276 1.299 20 5 BDBDMN Cc1ccncc1CN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839748963 585340464 /nfs/dbraw/zinc/34/04/64/585340464.db2.gz ZUKSWDNXSSQNFL-GHMZBOCLSA-N 0 1 249.270 1.014 20 5 BDBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccsc1 ZINC000839760278 585340743 /nfs/dbraw/zinc/34/07/43/585340743.db2.gz VHUJKGVBBNHNIQ-FTLITQJKSA-N 0 1 240.284 1.591 20 5 BDBDMN O=C(NCC1=CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839781351 585341628 /nfs/dbraw/zinc/34/16/28/585341628.db2.gz NABMRASCWHQPPN-NXEZZACHSA-N 0 1 224.260 1.268 20 5 BDBDMN CC[C@@H]1CCC[C@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839783494 585342143 /nfs/dbraw/zinc/34/21/43/585342143.db2.gz ILUNKNFRFLWYQI-LMLFDSFASA-N 0 1 240.303 1.594 20 5 BDBDMN CO[C@H](C)COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000770689842 585579941 /nfs/dbraw/zinc/57/99/41/585579941.db2.gz AULYATZIAAKBCJ-ZCFIWIBFSA-N 0 1 228.204 1.115 20 5 BDBDMN CC(C)(C)C(C)(C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840462463 587105674 /nfs/dbraw/zinc/10/56/74/587105674.db2.gz BTKJARBEZNRHBZ-HTQZYQBOSA-N 0 1 228.292 1.593 20 5 BDBDMN C[C@@H]1CCCC[C@]1(C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840475080 587193394 /nfs/dbraw/zinc/19/33/94/587193394.db2.gz SMTKFRGOYUCMSW-BFLSOPEQSA-N 0 1 240.303 1.737 20 5 BDBDMN O=C(O[C@H]1C=CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000840671674 587915786 /nfs/dbraw/zinc/91/57/86/587915786.db2.gz ZCEHFISBUWHPFJ-DJLDLDEBSA-N 0 1 211.217 1.304 20 5 BDBDMN CC1(C)CCC[C@H]1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673322 587916168 /nfs/dbraw/zinc/91/61/68/587916168.db2.gz KGJGJRRIXUPNDN-IWSPIJDZSA-N 0 1 227.260 1.774 20 5 BDBDMN O=C(OCCCCCF)[C@@H]1CC1[N+](=O)[O-] ZINC000840673570 587916182 /nfs/dbraw/zinc/91/61/82/587916182.db2.gz SXZFVKSGSYBCEA-HTQZYQBOSA-N 0 1 219.212 1.335 20 5 BDBDMN C[C@H]1[C@@H](C)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H]1C ZINC000841366134 587952927 /nfs/dbraw/zinc/95/29/27/587952927.db2.gz XJULDQMAQNHMFA-VVULQXIFSA-N 0 1 226.276 1.155 20 5 BDBDMN O=C(OC[C@H]1CCCS1)[C@@H]1CC1[N+](=O)[O-] ZINC000842315874 588016840 /nfs/dbraw/zinc/01/68/40/588016840.db2.gz YQRJMENPRHDCKG-BWZBUEFSSA-N 0 1 231.273 1.090 20 5 BDBDMN CC[C@@H](CCOC)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842326182 588018064 /nfs/dbraw/zinc/01/80/64/588018064.db2.gz HQZIZZBFAFKKOO-DJLDLDEBSA-N 0 1 231.248 1.010 20 5 BDBDMN C[C@H](C[C@@H]1CCOC1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842350978 588020393 /nfs/dbraw/zinc/02/03/93/588020393.db2.gz VVJUBOKALDHBKQ-UTINFBMNSA-N 0 1 243.259 1.010 20 5 BDBDMN O=C(N[C@]12C[C@H]1CCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000870536534 589672290 /nfs/dbraw/zinc/67/22/90/589672290.db2.gz QPOFSGOXRPKYPC-TURQNECASA-N 0 1 224.260 1.101 20 5 BDBDMN C[C@@H](O)CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872016324 589855991 /nfs/dbraw/zinc/85/59/91/589855991.db2.gz IDFXZOZIPJGRHP-SFYZADRCSA-N 0 1 242.250 1.765 20 5 BDBDMN Cc1c(CNCc2c[nH]nn2)cccc1[N+](=O)[O-] ZINC000873140239 589986531 /nfs/dbraw/zinc/98/65/31/589986531.db2.gz KZVKHVYYSXQAFP-UHFFFAOYSA-N 0 1 247.258 1.311 20 5 BDBDMN C[C@@H]1[C@H](C)SCCN1CC[N+](=O)[O-] ZINC000306333062 636819094 /nfs/dbraw/zinc/81/90/94/636819094.db2.gz DSOPXRXUMFGEIN-SFYZADRCSA-N 0 1 204.295 1.089 20 5 BDBDMN O=[N+]([O-])CCNCc1cccc2cc[nH]c21 ZINC000905227722 637688144 /nfs/dbraw/zinc/68/81/44/637688144.db2.gz FHIQMOPOEDTWJX-UHFFFAOYSA-N 0 1 219.244 1.534 20 5 BDBDMN C[C@H]1CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000905975841 637992895 /nfs/dbraw/zinc/99/28/95/637992895.db2.gz VVPACXGJKYVUNZ-JOYOIKCWSA-N 0 1 236.271 1.722 20 5 BDBDMN O=[N+]([O-])CCN1CCC[C@H](c2cccnc2)C1 ZINC000930810003 639912271 /nfs/dbraw/zinc/91/22/71/639912271.db2.gz QDJHKYXOOQGZND-LBPRGKRZSA-N 0 1 235.287 1.538 20 5 BDBDMN COCCC1CCN(CC[N+](=O)[O-])CC1 ZINC000931160071 640082010 /nfs/dbraw/zinc/08/20/10/640082010.db2.gz DBQRXRFHYCATKJ-UHFFFAOYSA-N 0 1 216.281 1.012 20 5 BDBDMN C[C@H]1COC[C@H]1NCc1cccnc1[N+](=O)[O-] ZINC000932489769 640553987 /nfs/dbraw/zinc/55/39/87/640553987.db2.gz SEBMWZZIQQVCGO-WCBMZHEXSA-N 0 1 237.259 1.114 20 5 BDBDMN CN(CCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000087226002 644484386 /nfs/dbraw/zinc/48/43/86/644484386.db2.gz GIKBZJRNYPATSE-UHFFFAOYSA-N 0 1 228.223 1.158 20 5 BDBDMN C[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])CC(F)F ZINC000843629595 645298888 /nfs/dbraw/zinc/29/88/88/645298888.db2.gz FHYTYFNCUAIRMK-RRKCRQDMSA-N 0 1 236.218 1.059 20 5 BDBDMN CCO[C@H]1C[C@H](N(C)CC[N+](=O)[O-])C12CCC2 ZINC000929841789 646356396 /nfs/dbraw/zinc/35/63/96/646356396.db2.gz PHWIUSASHWFCTB-QWRGUYRKSA-N 0 1 242.319 1.543 20 5 BDBDMN COc1ccc([C@@H](C)NCC[N+](=O)[O-])cc1F ZINC000930185692 646482723 /nfs/dbraw/zinc/48/27/23/646482723.db2.gz KZORYFFKQULPRT-MRVPVSSYSA-N 0 1 242.250 1.762 20 5 BDBDMN Cc1nc(NC[C@H]2CCN2C)ccc1[N+](=O)[O-] ZINC000712608357 712437485 /nfs/dbraw/zinc/43/74/85/712437485.db2.gz SGZMFVJBCIZCDV-SECBINFHSA-N 0 1 236.275 1.414 20 5 BDBDMN O=[N+]([O-])c1cccc(CN[C@]23C[C@H]2COC3)c1 ZINC000717985391 712735224 /nfs/dbraw/zinc/73/52/24/712735224.db2.gz DEWMWHNNFZXCEX-JQWIXIFHSA-N 0 1 234.255 1.473 20 5 BDBDMN C[C@H]1[C@@H](Nc2ncc([N+](=O)[O-])s2)CCN1C ZINC000719572553 712810777 /nfs/dbraw/zinc/81/07/77/712810777.db2.gz VQFXNQKSMPPPBD-BQBZGAKWSA-N 0 1 242.304 1.556 20 5 BDBDMN O=[N+]([O-])C[C@H]1CC[C@H](NCc2cocn2)C1 ZINC001168975644 969324434 /nfs/dbraw/zinc/32/44/34/969324434.db2.gz WQKILRDTBFRMLL-IUCAKERBSA-N 0 1 225.248 1.210 20 5 BDBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C1(C)CC1 ZINC001602976424 979352270 /nfs/dbraw/zinc/35/22/70/979352270.db2.gz YIKQWDCHBQCKCY-ZCFIWIBFSA-N 0 1 238.247 1.236 20 5 BDBDMN O=C(N[C@@H]1CCC[C@@H](F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001130332305 970967591 /nfs/dbraw/zinc/96/75/91/970967591.db2.gz JMUZFPLCZXRGIZ-FNCVBFRFSA-N 0 1 230.239 1.049 20 5 BDBDMN CC(C)(C)c1nnc([C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001330094429 974102486 /nfs/dbraw/zinc/10/24/86/974102486.db2.gz YRVJAAMUAXEOPF-PHDIDXHHSA-N 0 1 211.221 1.500 20 5 BDBDMN CN1CC[C@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC001156580207 963393705 /nfs/dbraw/zinc/39/37/05/963393705.db2.gz GYSGGQFNRXIKPW-ZETCQYMHSA-N 0 1 240.238 1.245 20 5 BDBDMN CN(Cc1ccon1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037032 969356300 /nfs/dbraw/zinc/35/63/00/969356300.db2.gz HWWMDNNROVSVDN-MWLCHTKSSA-N 0 1 239.275 1.552 20 5 BDBDMN C[C@H]1CC(=O)CCN1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038547 969358267 /nfs/dbraw/zinc/35/82/67/969358267.db2.gz ZKNAVUONWRUHHP-DCAQKATOSA-N 0 1 240.303 1.485 20 5 BDBDMN O=C(Nc1ccc2cc[nH]c2c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001327351867 972560376 /nfs/dbraw/zinc/56/03/76/972560376.db2.gz AYGAMEVQOCZXNY-MWLCHTKSSA-N 0 1 245.238 1.772 20 5 BDBDMN C[C@@H](C[NH+](C)C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225666152 974633722 /nfs/dbraw/zinc/63/37/22/974633722.db2.gz GWHBDEKJAXSGFO-ZETCQYMHSA-N 0 1 241.247 1.024 20 5 BDBDMN O=[N+]([O-])C[C@H](Oc1ccc2[nH]nnc2c1)C1CC1 ZINC001228663919 976422949 /nfs/dbraw/zinc/42/29/49/976422949.db2.gz ILQSJLFDAFDIRQ-NSHDSACASA-N 0 1 248.242 1.392 20 5 BDBDMN Cc1nc(OC2CCC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229375662 976850094 /nfs/dbraw/zinc/85/00/94/976850094.db2.gz KZRWUMNTRXBDLT-UHFFFAOYSA-N 0 1 225.204 1.330 20 5 BDBDMN C[C@@H](C[NH+](C)C)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229395150 976857121 /nfs/dbraw/zinc/85/71/21/976857121.db2.gz FOBHEQDBBAYXSX-QMMMGPOBSA-N 0 1 240.259 1.629 20 5 BDBDMN Cc1ccc([C@@H](O)[C@H](C)NCC[N+](=O)[O-])cc1 ZINC001335412961 977041997 /nfs/dbraw/zinc/04/19/97/977041997.db2.gz SJNQNFYCMCGJBF-JQWIXIFHSA-N 0 1 238.287 1.283 20 5 BDBDMN O=[N+]([O-])CCN1CCC([C@H]2CCCO2)CC1 ZINC001335905472 977356101 /nfs/dbraw/zinc/35/61/01/977356101.db2.gz IUZFQXXWZIPYEX-LLVKDONJSA-N 0 1 228.292 1.154 20 5 BDBDMN O=C(OC[C@@H]1CC12CCC2)[C@@H]1CC1[N+](=O)[O-] ZINC001348869355 981465552 /nfs/dbraw/zinc/46/55/52/981465552.db2.gz WEJUIAVMPAXCEU-DJLDLDEBSA-N 0 1 225.244 1.385 20 5 BDBDMN O=[N+]([O-])c1ccc2c(c1)CN(Cc1cnc[nH]1)C2 ZINC001119496827 989112825 /nfs/dbraw/zinc/11/28/25/989112825.db2.gz VSWKOJAHDPAXQO-UHFFFAOYSA-N 0 1 244.254 1.834 20 5 BDBDMN CCC[C@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001262646782 992996661 /nfs/dbraw/zinc/99/66/61/992996661.db2.gz LSJZHIMFPDOENZ-IVZWLZJFSA-N 0 1 226.276 1.443 20 5 BDBDMN CN(CCC1CC1)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602483229 349566494 /nfs/dbraw/zinc/56/64/94/349566494.db2.gz FIXVFPHBGUZKEE-UHFFFAOYSA-N 0 1 238.291 1.560 20 5 BDBDMN Cc1[nH]ncc1CNc1cccnc1[N+](=O)[O-] ZINC000134467575 342856948 /nfs/dbraw/zinc/85/69/48/342856948.db2.gz LXHPSDZTJQYMMI-UHFFFAOYSA-N 0 1 233.231 1.633 20 5 BDBDMN CCCN(Cc1cn(C)nc1[N+](=O)[O-])C(C)C ZINC000602705219 349699357 /nfs/dbraw/zinc/69/93/57/349699357.db2.gz MOCFZIZXZYOWKK-UHFFFAOYSA-N 0 1 240.307 1.949 20 5 BDBDMN CN(Cc1cn(C)nc1[N+](=O)[O-])C(C)(C)C ZINC000602850764 349785514 /nfs/dbraw/zinc/78/55/14/349785514.db2.gz SDHBEKZLMKZARN-UHFFFAOYSA-N 0 1 226.280 1.559 20 5 BDBDMN CCc1nc(CNc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000294856903 346302313 /nfs/dbraw/zinc/30/23/13/346302313.db2.gz CRRUSMIZNZJLQF-UHFFFAOYSA-N 0 1 247.258 1.887 20 5 BDBDMN Cc1cc(N(C)Cc2cnc[nH]2)ncc1[N+](=O)[O-] ZINC000596306774 348491814 /nfs/dbraw/zinc/49/18/14/348491814.db2.gz SAROPTGZWKROSG-UHFFFAOYSA-N 0 1 247.258 1.658 20 5 BDBDMN Cc1c(CN2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000061708265 188128108 /nfs/dbraw/zinc/12/81/08/188128108.db2.gz JUEFAVHRKUZMNY-LLVKDONJSA-N 0 1 236.271 1.470 20 5 BDBDMN CO[C@H](C)CNCc1csc([N+](=O)[O-])c1 ZINC000191200022 355344845 /nfs/dbraw/zinc/34/48/45/355344845.db2.gz UGFLVCWZDCGKQP-SSDOTTSWSA-N 0 1 230.289 1.781 20 5 BDBDMN NC(=O)c1ccc(CN2CCCC2)c([N+](=O)[O-])c1 ZINC000027270981 181294804 /nfs/dbraw/zinc/29/48/04/181294804.db2.gz KOTSKIISADQNOA-UHFFFAOYSA-N 0 1 249.270 1.290 20 5 BDBDMN CN(Cc1cnc[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC000619511037 358609305 /nfs/dbraw/zinc/60/93/05/358609305.db2.gz UHNODVLZHYMHEH-UHFFFAOYSA-N 0 1 246.270 1.950 20 5 BDBDMN Cc1[nH]ncc1CN(C)c1ccc([N+](=O)[O-])nc1 ZINC000601181501 371734785 /nfs/dbraw/zinc/73/47/85/371734785.db2.gz LMXKFHYKIGDHSJ-UHFFFAOYSA-N 0 1 247.258 1.658 20 5 BDBDMN O=[N+]([O-])c1ccccc1CN1C[C@H]2C[C@@]2(O)C1 ZINC000603086720 371866780 /nfs/dbraw/zinc/86/67/80/371866780.db2.gz IJCMZKSAPYYMDX-ZYHUDNBSSA-N 0 1 234.255 1.161 20 5 BDBDMN O=C(N[C@H]1CC=CCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000179380545 182327385 /nfs/dbraw/zinc/32/73/85/182327385.db2.gz WAWOSEYDSHYKIT-ZETCQYMHSA-N 0 1 236.231 1.156 20 5 BDBDMN O=[N+]([O-])c1ccc(CNC[C@@H](O)C(F)F)cc1 ZINC000226575618 134366452 /nfs/dbraw/zinc/36/64/52/134366452.db2.gz YXBSRFOIFZVOBR-SECBINFHSA-N 0 1 246.213 1.310 20 5 BDBDMN O=[N+]([O-])c1ccc(CNC[C@H](O)C(F)F)cc1 ZINC000226575623 134366560 /nfs/dbraw/zinc/36/65/60/134366560.db2.gz YXBSRFOIFZVOBR-VIFPVBQESA-N 0 1 246.213 1.310 20 5 BDBDMN C[C@@H](CF)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000288095639 385265722 /nfs/dbraw/zinc/26/57/22/385265722.db2.gz GPTKRMKMAVJUBS-LURJTMIESA-N 0 1 242.206 1.388 20 5 BDBDMN O=[N+]([O-])c1cnc(NCCN2CCCC2)s1 ZINC000189686106 385269400 /nfs/dbraw/zinc/26/94/00/385269400.db2.gz URHBPTZRDPPAFU-UHFFFAOYSA-N 0 1 242.304 1.559 20 5 BDBDMN Cc1ccc([N+](=O)[O-])c(N(C)Cc2nnc[nH]2)c1 ZINC000268000292 386718460 /nfs/dbraw/zinc/71/84/60/386718460.db2.gz BIKOZMXJNYCCPI-UHFFFAOYSA-N 0 1 247.258 1.658 20 5 BDBDMN Cc1nc(CCNc2ccc([N+](=O)[O-])cn2)n[nH]1 ZINC000267484380 386857259 /nfs/dbraw/zinc/85/72/59/386857259.db2.gz DDQHUPVOGWWDBU-UHFFFAOYSA-N 0 1 248.246 1.071 20 5 BDBDMN Cc1nnc(CCNc2ccc([N+](=O)[O-])cn2)[nH]1 ZINC000267484380 386857264 /nfs/dbraw/zinc/85/72/64/386857264.db2.gz DDQHUPVOGWWDBU-UHFFFAOYSA-N 0 1 248.246 1.071 20 5 BDBDMN CON(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269338809 387348345 /nfs/dbraw/zinc/34/83/45/387348345.db2.gz CNKGTZONCWRUPB-UHFFFAOYSA-N 0 1 242.235 1.075 20 5 BDBDMN Cn1cnc([N+](=O)[O-])c1CN1CCCC1(C)C ZINC000355340805 387521021 /nfs/dbraw/zinc/52/10/21/387521021.db2.gz XEOBBTVDAGONRX-UHFFFAOYSA-N 0 1 238.291 1.703 20 5 BDBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC2(CC2)CC1 ZINC000369768454 387592061 /nfs/dbraw/zinc/59/20/61/387592061.db2.gz WWDQKQLGVWCNEV-DTWKUNHWSA-N 0 1 224.260 1.054 20 5 BDBDMN O=[N+]([O-])c1ccc(=NOC[C@H]2CCOC2)[nH]c1 ZINC000302787401 388345350 /nfs/dbraw/zinc/34/53/50/388345350.db2.gz WUQRGPIRYCXYDJ-QMMMGPOBSA-N 0 1 239.231 1.370 20 5 BDBDMN C[C@@H](CO)N(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000122352335 388381511 /nfs/dbraw/zinc/38/15/11/388381511.db2.gz BPPZUOPDGARBGB-QMMMGPOBSA-N 0 1 242.250 1.547 20 5 BDBDMN C[C@@H]1OCC[C@@H]1NCc1csc([N+](=O)[O-])c1 ZINC000134241343 388397800 /nfs/dbraw/zinc/39/78/00/388397800.db2.gz MRDXIQJZRCPOFT-CBAPKCEASA-N 0 1 242.300 1.923 20 5 BDBDMN CN(Cc1nnc[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC000174814217 388443362 /nfs/dbraw/zinc/44/33/62/388443362.db2.gz WWYAJIPOHYFSIW-UHFFFAOYSA-N 0 1 247.258 1.345 20 5 BDBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC2(CCC2)CC1 ZINC000376469261 388722238 /nfs/dbraw/zinc/72/22/38/388722238.db2.gz ZVDBMLABCCFESH-UWVGGRQHSA-N 0 1 238.287 1.444 20 5 BDBDMN CC[C@@H](CO)NCc1csc([N+](=O)[O-])c1 ZINC000037472334 388869366 /nfs/dbraw/zinc/86/93/66/388869366.db2.gz CYGCOKQAPKRPQL-QMMMGPOBSA-N 0 1 230.289 1.517 20 5 BDBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000263706829 135128035 /nfs/dbraw/zinc/12/80/35/135128035.db2.gz PWRNCGAQBCQAAY-ZCFIWIBFSA-N 0 1 238.247 1.108 20 5 BDBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CC2(C1)CCCCC2 ZINC000371858200 397941657 /nfs/dbraw/zinc/94/16/57/397941657.db2.gz KYPGSNJJGQOCRE-VHSXEESVSA-N 0 1 238.287 1.444 20 5 BDBDMN Cc1cc(NCc2nn[nH]n2)ccc1[N+](=O)[O-] ZINC000044931680 411142439 /nfs/dbraw/zinc/14/24/39/411142439.db2.gz AGMWOMMBPBCNLR-UHFFFAOYSA-N 0 1 234.219 1.028 20 5 BDBDMN Cc1[nH]n(-c2cccc([N+](=O)[O-])c2)c(=O)c1C ZINC000100337614 168134940 /nfs/dbraw/zinc/13/49/40/168134940.db2.gz WOTVSTDISBPIJX-ZETCQYMHSA-N 0 1 233.227 1.953 20 5 BDBDMN COCCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000082829129 174335044 /nfs/dbraw/zinc/33/50/44/174335044.db2.gz WQHLZLKCYAWOPE-UHFFFAOYSA-N 0 1 244.678 1.984 20 5 BDBDMN C[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)C[C@H]1C ZINC000355339048 176301271 /nfs/dbraw/zinc/30/12/71/176301271.db2.gz HSSXANMUMDSVQQ-DTORHVGOSA-N 0 1 238.291 1.416 20 5 BDBDMN C[C@H]1C[C@H](O)CN1Cc1ccccc1[N+](=O)[O-] ZINC000340946943 177374129 /nfs/dbraw/zinc/37/41/29/177374129.db2.gz CQRPPWSOXVPCGZ-ONGXEEELSA-N 0 1 236.271 1.550 20 5 BDBDMN CC[C@H](C)[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839576258 585330615 /nfs/dbraw/zinc/33/06/15/585330615.db2.gz ZVHSLCWYTKMGNN-RBXMUDONSA-N 0 1 214.265 1.202 20 5 BDBDMN CN(C[C@@H]1CC1(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000856459918 588872927 /nfs/dbraw/zinc/87/29/27/588872927.db2.gz SOLYELUDVJJBJD-DJLDLDEBSA-N 0 1 226.276 1.156 20 5 BDBDMN COCc1csc(CNCC[N+](=O)[O-])c1 ZINC000899892224 584248578 /nfs/dbraw/zinc/24/85/78/584248578.db2.gz ORIOBPVOJLEBGP-UHFFFAOYSA-N 0 1 230.289 1.261 20 5 BDBDMN CC1CCC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839466781 585104908 /nfs/dbraw/zinc/10/49/08/585104908.db2.gz HPJFBCNWFPTMTM-JPPWEJMLSA-N 0 1 240.303 1.689 20 5 BDBDMN Cc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)c1 ZINC000839458915 585104957 /nfs/dbraw/zinc/10/49/57/585104957.db2.gz JMGJCDFVSCTIGJ-MWLCHTKSSA-N 0 1 234.255 1.907 20 5 BDBDMN CCCCC[C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839485860 585105135 /nfs/dbraw/zinc/10/51/35/585105135.db2.gz LIZFAQMOLFWJFD-OPRDCNLKSA-N 0 1 228.292 1.737 20 5 BDBDMN CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839524483 585105826 /nfs/dbraw/zinc/10/58/26/585105826.db2.gz HEGKEJBVVGLPSB-GWOFURMSSA-N 0 1 240.303 1.737 20 5 BDBDMN C[C@@H]1CCCC[C@@H]1N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839509297 585106114 /nfs/dbraw/zinc/10/61/14/585106114.db2.gz XHTLDSKLYWATIJ-CHWFTXMASA-N 0 1 240.303 1.689 20 5 BDBDMN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839510276 585106211 /nfs/dbraw/zinc/10/62/11/585106211.db2.gz YNSVGSXIMSHKJI-UTINFBMNSA-N 0 1 226.276 1.347 20 5 BDBDMN CC1(C)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839651738 585333282 /nfs/dbraw/zinc/33/32/82/585333282.db2.gz QLMHLWICPTVTAN-HTQZYQBOSA-N 0 1 212.249 1.053 20 5 BDBDMN CC1(C)C(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1(C)C ZINC000839697983 585335637 /nfs/dbraw/zinc/33/56/37/585335637.db2.gz LRAHNRZMJDBZEX-RNFRBKRXSA-N 0 1 226.276 1.202 20 5 BDBDMN CSCC[C@H](C)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839701781 585335913 /nfs/dbraw/zinc/33/59/13/585335913.db2.gz VKMFSPKTIHZXST-DJLDLDEBSA-N 0 1 246.332 1.252 20 5 BDBDMN CC[C@H]1CC[C@@H](C)N1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839717718 585338433 /nfs/dbraw/zinc/33/84/33/585338433.db2.gz LPTSTBIBVJBYGS-UTINFBMNSA-N 0 1 226.276 1.441 20 5 BDBDMN O=C(NC12CCC(CC1)CC2)[C@@H]1CC1[N+](=O)[O-] ZINC000839783600 585342137 /nfs/dbraw/zinc/34/21/37/585342137.db2.gz ZTUIDVQELKTEJR-WDHPUFTPSA-N 0 1 238.287 1.491 20 5 BDBDMN CC(C)[C@]1(C)C[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839800029 585534074 /nfs/dbraw/zinc/53/40/74/585534074.db2.gz UHCMSIAABRLRHE-REIXXSIJSA-N 0 1 226.276 1.202 20 5 BDBDMN O=[N+]([O-])c1ccccc1CN1C[C@@H]2C[C@]2(CO)C1 ZINC000782623122 585823016 /nfs/dbraw/zinc/82/30/16/585823016.db2.gz YWWBWDXJGGJJRO-WCQYABFASA-N 0 1 248.282 1.409 20 5 BDBDMN Cc1cc(C(=O)Nc2c[nH]nn2)ccc1[N+](=O)[O-] ZINC000789928324 585952850 /nfs/dbraw/zinc/95/28/50/585952850.db2.gz XNYIETLSSZOWEH-UHFFFAOYSA-N 0 1 247.214 1.274 20 5 BDBDMN O=[N+]([O-])CCN1CCN(Cc2ccccc2)CC1 ZINC000791053026 585972727 /nfs/dbraw/zinc/97/27/27/585972727.db2.gz GQDJEMYUHRTQKH-UHFFFAOYSA-N 0 1 249.314 1.081 20 5 BDBDMN CN(CC[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000791053139 585973370 /nfs/dbraw/zinc/97/33/70/585973370.db2.gz IKJCEVXGOMKULF-LBPRGKRZSA-N 0 1 220.272 1.882 20 5 BDBDMN CN(CC[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000791053133 585973394 /nfs/dbraw/zinc/97/33/94/585973394.db2.gz IKJCEVXGOMKULF-GFCCVEGCSA-N 0 1 220.272 1.882 20 5 BDBDMN CCO[C@H]1C[C@@H](N(C)CC[N+](=O)[O-])C1(C)C ZINC000798197736 586140518 /nfs/dbraw/zinc/14/05/18/586140518.db2.gz UMNACTBUKNWHLW-ZJUUUORDSA-N 0 1 230.308 1.399 20 5 BDBDMN Cc1ccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)c1 ZINC000840246912 586570697 /nfs/dbraw/zinc/57/06/97/586570697.db2.gz ZEMKWEIFFZOPDU-NXEZZACHSA-N 0 1 235.239 1.874 20 5 BDBDMN CON(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000815012297 586663855 /nfs/dbraw/zinc/66/38/55/586663855.db2.gz ALCVLBZIFGFZFP-UHFFFAOYSA-N 0 1 212.205 1.294 20 5 BDBDMN CC(C)SCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672717 587915701 /nfs/dbraw/zinc/91/57/01/587915701.db2.gz FBPVYQUVZSLELI-HTQZYQBOSA-N 0 1 233.289 1.336 20 5 BDBDMN CC(C)CCOCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840670248 587915816 /nfs/dbraw/zinc/91/58/16/587915816.db2.gz DRGAOJLIBZZUGJ-NXEZZACHSA-N 0 1 245.275 1.258 20 5 BDBDMN CC1(C)CCC[C@@H]1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673321 587916244 /nfs/dbraw/zinc/91/62/44/587916244.db2.gz KGJGJRRIXUPNDN-HLTSFMKQSA-N 0 1 227.260 1.774 20 5 BDBDMN O=C(OCC[C@@H]1CCCCO1)[C@@H]1CC1[N+](=O)[O-] ZINC000840673192 587916378 /nfs/dbraw/zinc/91/63/78/587916378.db2.gz JJFFWLMTKOUTQU-IVZWLZJFSA-N 0 1 243.259 1.154 20 5 BDBDMN C[C@H]1CCC[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000841004111 587934606 /nfs/dbraw/zinc/93/46/06/587934606.db2.gz MGKWENWNNLFCIL-AXTSPUMRSA-N 0 1 227.260 1.774 20 5 BDBDMN C[C@H]1CCC[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000841004112 587935016 /nfs/dbraw/zinc/93/50/16/587935016.db2.gz MGKWENWNNLFCIL-SGIHWFKDSA-N 0 1 227.260 1.774 20 5 BDBDMN CC[C@H]1C[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000842329860 588018289 /nfs/dbraw/zinc/01/82/89/588018289.db2.gz JKJKDOOLIMWYJT-AXTSPUMRSA-N 0 1 243.259 1.152 20 5 BDBDMN CSC1(COC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC000842351606 588020371 /nfs/dbraw/zinc/02/03/71/588020371.db2.gz LZSAJLTXEPOFKA-HTQZYQBOSA-N 0 1 245.300 1.481 20 5 BDBDMN CC(C)(O)CCCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842356241 588021121 /nfs/dbraw/zinc/02/11/21/588021121.db2.gz SOWXBTFQODYIKV-RKDXNWHRSA-N 0 1 245.275 1.136 20 5 BDBDMN CCC[C@@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])OC ZINC000842374424 588022454 /nfs/dbraw/zinc/02/24/54/588022454.db2.gz VUZYQFXGMKNEKM-DJLDLDEBSA-N 0 1 231.248 1.010 20 5 BDBDMN CCc1ccncc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000846527328 588270416 /nfs/dbraw/zinc/27/04/16/588270416.db2.gz VAMNNUWUFUPMRC-PSASIEDQSA-N 0 1 235.243 1.248 20 5 BDBDMN C[C@]1(COC(=O)[C@@H]2CC2[N+](=O)[O-])CC1(F)F ZINC000851255572 588597930 /nfs/dbraw/zinc/59/79/30/588597930.db2.gz KERRJXRHQUCTGX-ATRFCDNQSA-N 0 1 235.186 1.240 20 5 BDBDMN O=C(OCC[C@H]1CC1(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000851385262 588603687 /nfs/dbraw/zinc/60/36/87/588603687.db2.gz JYZHNSSISNOPLD-RRKCRQDMSA-N 0 1 235.186 1.240 20 5 BDBDMN CC(C)(C)[C@H]1C[C@H]1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000861107560 589146847 /nfs/dbraw/zinc/14/68/47/589146847.db2.gz BVEZJHPSHYARMI-QCLAVDOMSA-N 0 1 241.287 1.877 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC2(CC2)CC1 ZINC000863640454 589306249 /nfs/dbraw/zinc/30/62/49/589306249.db2.gz NFSPROLBJMWSDU-NXEZZACHSA-N 0 1 238.287 1.444 20 5 BDBDMN O=C(NC[C@@H]1CCCC12CC2)[C@@H]1CC1[N+](=O)[O-] ZINC000863774085 589316349 /nfs/dbraw/zinc/31/63/49/589316349.db2.gz PECASTZPUWVCPF-IVZWLZJFSA-N 0 1 238.287 1.348 20 5 BDBDMN CN(Cc1cccnc1[N+](=O)[O-])CC1CC1 ZINC000885958341 592115761 /nfs/dbraw/zinc/11/57/61/592115761.db2.gz GLLOZRGHOWIHNV-UHFFFAOYSA-N 0 1 221.260 1.832 20 5 BDBDMN CC(C)(C)[C@@H]1CSCCN1CC[N+](=O)[O-] ZINC000931591575 634607720 /nfs/dbraw/zinc/60/77/20/634607720.db2.gz CMSXMDDHXKVMIL-VIFPVBQESA-N 0 1 232.349 1.727 20 5 BDBDMN C[C@@H]1SCCN(CC[N+](=O)[O-])[C@H]1C ZINC000306333064 636818366 /nfs/dbraw/zinc/81/83/66/636818366.db2.gz DSOPXRXUMFGEIN-YUMQZZPRSA-N 0 1 204.295 1.089 20 5 BDBDMN O=[N+]([O-])CCN1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000899887422 637149491 /nfs/dbraw/zinc/14/94/91/637149491.db2.gz SXYGKVOBDWAVFA-NSHDSACASA-N 0 1 240.303 1.154 20 5 BDBDMN O=[N+]([O-])CCNCc1ccc(-n2cccn2)cc1 ZINC000905048450 637566067 /nfs/dbraw/zinc/56/60/67/637566067.db2.gz LOYRLIGCSFLRBD-UHFFFAOYSA-N 0 1 246.270 1.239 20 5 BDBDMN Cc1cccc(O[C@@H](C)CNCC[N+](=O)[O-])c1 ZINC000905135279 637645583 /nfs/dbraw/zinc/64/55/83/637645583.db2.gz JOUVZJWIZCNIGA-NSHDSACASA-N 0 1 238.287 1.629 20 5 BDBDMN COc1ccc(CNCC[N+](=O)[O-])cc1Cl ZINC000905177883 637685288 /nfs/dbraw/zinc/68/52/88/637685288.db2.gz YKUCBMKOXGPFDA-UHFFFAOYSA-N 0 1 244.678 1.715 20 5 BDBDMN O=[N+]([O-])CCNCc1cccc2c1CCOC2 ZINC000905402239 637797105 /nfs/dbraw/zinc/79/71/05/637797105.db2.gz AJENIHGVQVNCAU-UHFFFAOYSA-N 0 1 236.271 1.126 20 5 BDBDMN CCOC1CC2(C1)CCN(CC[N+](=O)[O-])C2 ZINC000930466357 639767552 /nfs/dbraw/zinc/76/75/52/639767552.db2.gz JLDWDOADFZUQIE-UHFFFAOYSA-N 0 1 228.292 1.154 20 5 BDBDMN COc1ccc([C@@H](C)NCC[N+](=O)[O-])cc1C ZINC000933485015 640721386 /nfs/dbraw/zinc/72/13/86/640721386.db2.gz YMIKUXXGXNYGJU-SNVBAGLBSA-N 0 1 238.287 1.931 20 5 BDBDMN CC[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000920127024 642439230 /nfs/dbraw/zinc/43/92/30/642439230.db2.gz VPROTKKLGRNCPB-ZCFIWIBFSA-N 0 1 212.205 1.878 20 5 BDBDMN CN(CCCc1ccccc1)CC[N+](=O)[O-] ZINC000929263309 646045044 /nfs/dbraw/zinc/04/50/44/646045044.db2.gz LDNTWKNBOCHCTF-UHFFFAOYSA-N 0 1 222.288 1.828 20 5 BDBDMN O=[N+]([O-])CCN1CCC[C@H]1c1ccc(O)cc1 ZINC000929891780 646368528 /nfs/dbraw/zinc/36/85/28/646368528.db2.gz RLVUSQNFAQVKSG-LBPRGKRZSA-N 0 1 236.271 1.806 20 5 BDBDMN CCCN(CC[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000929967535 646379029 /nfs/dbraw/zinc/37/90/29/646379029.db2.gz AVZDOWHHZQEVHR-NSHDSACASA-N 0 1 230.308 1.544 20 5 BDBDMN COc1cccc([C@@H](C)NCC[N+](=O)[O-])c1 ZINC000930188992 646483788 /nfs/dbraw/zinc/48/37/88/646483788.db2.gz HKUSZGXIMDBHET-SECBINFHSA-N 0 1 224.260 1.623 20 5 BDBDMN C[C@@H](NCC[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000930190346 646484019 /nfs/dbraw/zinc/48/40/19/646484019.db2.gz ULMFSUXQNFWHQT-MRVPVSSYSA-N 0 1 238.243 1.343 20 5 BDBDMN CCNCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000044626024 711724427 /nfs/dbraw/zinc/72/44/27/711724427.db2.gz MGIOOSZTQHEOAV-UHFFFAOYSA-N 0 1 248.242 1.754 20 5 BDBDMN CN1CC[C@@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000712596154 712436005 /nfs/dbraw/zinc/43/60/05/712436005.db2.gz UHMFAJMKQVWDOL-MRVPVSSYSA-N 0 1 222.248 1.106 20 5 BDBDMN Cc1nc(NC[C@@H]2CCN2C)ccc1[N+](=O)[O-] ZINC000712608361 712437396 /nfs/dbraw/zinc/43/73/96/712437396.db2.gz SGZMFVJBCIZCDV-VIFPVBQESA-N 0 1 236.275 1.414 20 5 BDBDMN Cc1ccc(Cn2ccnc2CN)cc1[N+](=O)[O-] ZINC000714020091 712477486 /nfs/dbraw/zinc/47/74/86/712477486.db2.gz NMHBWAMGERISFB-UHFFFAOYSA-N 0 1 246.270 1.607 20 5 BDBDMN COCC[N@@H+](CC[N+](=O)[O-])[C@@H]1CC[C@@H](C)C1 ZINC001332980982 975354317 /nfs/dbraw/zinc/35/43/17/975354317.db2.gz OVESKXKKTZVXSH-GHMZBOCLSA-N 0 1 230.308 1.400 20 5 BDBDMN Cc1ccc([C@@H](C)NCC[N+](=O)[O-])s1 ZINC001334059058 976258911 /nfs/dbraw/zinc/25/89/11/976258911.db2.gz YZIKLRRWMYLYFR-MRVPVSSYSA-N 0 1 214.290 1.984 20 5 BDBDMN CC[C@@](N)(CO)Nc1c(C)cccc1[N+](=O)[O-] ZINC001170865524 971996059 /nfs/dbraw/zinc/99/60/59/971996059.db2.gz NTQRGMVNKWFBKV-NSHDSACASA-N 0 1 239.275 1.372 20 5 BDBDMN CC[C@](N)(CO)Nc1cccc(C)c1[N+](=O)[O-] ZINC001170866493 972003775 /nfs/dbraw/zinc/00/37/75/972003775.db2.gz XHVQRMWNJLJGEU-LLVKDONJSA-N 0 1 239.275 1.372 20 5 BDBDMN Nc1cncn1-c1ccc(F)cc1[N+](=O)[O-] ZINC001210952251 957957333 /nfs/dbraw/zinc/95/73/33/957957333.db2.gz CSQUFRGPXROXSU-UHFFFAOYSA-N 0 1 222.179 1.502 20 5 BDBDMN COc1cc(C)c([N+](=O)[O-])cc1NC=N ZINC001167868156 961361144 /nfs/dbraw/zinc/36/11/44/961361144.db2.gz GSQULTWRBKQVQK-UHFFFAOYSA-N 0 1 209.205 1.931 20 5 BDBDMN C[C@@H]1COC[C@@H]1NCc1csc([N+](=O)[O-])c1 ZINC000699765293 968095723 /nfs/dbraw/zinc/09/57/23/968095723.db2.gz YIRRAHXZHFZGDG-APPZFPTMSA-N 0 1 242.300 1.781 20 5 BDBDMN COCC1CN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000824372235 968593742 /nfs/dbraw/zinc/59/37/42/968593742.db2.gz OFTULFNWVMRLAZ-UHFFFAOYSA-N 0 1 236.271 1.673 20 5 BDBDMN O=[N+]([O-])C[C@H]1CC[C@H](NCc2ccon2)C1 ZINC001168956320 969305218 /nfs/dbraw/zinc/30/52/18/969305218.db2.gz AWUOQQPTBUZVIP-IUCAKERBSA-N 0 1 225.248 1.210 20 5 BDBDMN CC(F)(F)CN[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168960758 969310039 /nfs/dbraw/zinc/31/00/39/969310039.db2.gz GWKYUOFDDSTDEU-YUMQZZPRSA-N 0 1 222.235 1.677 20 5 BDBDMN C[C@@H]1CC(=O)CCN1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169014407 969341780 /nfs/dbraw/zinc/34/17/80/969341780.db2.gz ZKNAVUONWRUHHP-MXWKQRLJSA-N 0 1 240.303 1.485 20 5 BDBDMN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC3(C2)CCCO3)C1 ZINC001169014450 969342914 /nfs/dbraw/zinc/34/29/14/969342914.db2.gz ZWQWHVYVCJOVTG-GHMZBOCLSA-N 0 1 240.303 1.297 20 5 BDBDMN C[N@@H+](CCF)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254610463 969747146 /nfs/dbraw/zinc/74/71/46/969747146.db2.gz LXLHMQDUPHGXSO-LBPRGKRZSA-N 0 1 238.262 1.963 20 5 BDBDMN CN(CCF)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254610463 969747151 /nfs/dbraw/zinc/74/71/51/969747151.db2.gz LXLHMQDUPHGXSO-LBPRGKRZSA-N 0 1 238.262 1.963 20 5 BDBDMN Cc1nnc(Nc2ccc(O)c([N+](=O)[O-])c2)o1 ZINC001210392101 969882185 /nfs/dbraw/zinc/88/21/85/969882185.db2.gz BCRFWNXHVVRLQT-UHFFFAOYSA-N 0 1 236.187 1.735 20 5 BDBDMN COc1ccc([N+](=O)[O-])cc1-n1cncc1N ZINC001210444913 969888716 /nfs/dbraw/zinc/88/87/16/969888716.db2.gz ORUFRFQARWNUHN-UHFFFAOYSA-N 0 1 234.215 1.371 20 5 BDBDMN Cc1ncn(-c2ccc(F)cc2[N+](=O)[O-])c1N ZINC001210952880 970090888 /nfs/dbraw/zinc/09/08/88/970090888.db2.gz ULTHVHBHHBQQKO-UHFFFAOYSA-N 0 1 236.206 1.810 20 5 BDBDMN CC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])C(C)(C)C ZINC001330670468 974399566 /nfs/dbraw/zinc/39/95/66/974399566.db2.gz FZSMHUIOQUQSIK-UHFFFAOYSA-N 0 1 240.307 1.949 20 5 BDBDMN CCN(Cc1cn(C)nc1[N+](=O)[O-])C(C)(C)C ZINC001330670468 974399572 /nfs/dbraw/zinc/39/95/72/974399572.db2.gz FZSMHUIOQUQSIK-UHFFFAOYSA-N 0 1 240.307 1.949 20 5 BDBDMN COC[C@H](C)Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225488469 974526228 /nfs/dbraw/zinc/52/62/28/974526228.db2.gz FPDDADWTQXVBSU-ZETCQYMHSA-N 0 1 227.216 1.714 20 5 BDBDMN CCN1CC[C@@H](Oc2ncccc2[N+](=O)[O-])C1 ZINC001225592445 974578622 /nfs/dbraw/zinc/57/86/22/974578622.db2.gz GZCCLNXFZQPCHE-SECBINFHSA-N 0 1 237.259 1.463 20 5 BDBDMN CN1CCC[C@H](Oc2ncccc2[N+](=O)[O-])C1 ZINC001225593761 974580659 /nfs/dbraw/zinc/58/06/59/974580659.db2.gz XYRLXWMJCQPKEX-VIFPVBQESA-N 0 1 237.259 1.463 20 5 BDBDMN O=[N+]([O-])c1cccnc1O[C@@H]1CN2CCC1CC2 ZINC001225593003 974581033 /nfs/dbraw/zinc/58/10/33/974581033.db2.gz KDDCVEWAVWJQPW-LLVKDONJSA-N 0 1 249.270 1.463 20 5 BDBDMN Cc1cc([N+](=O)[O-])cnc1O[C@H]1CCN(C)C1 ZINC001226761684 975062882 /nfs/dbraw/zinc/06/28/82/975062882.db2.gz KHWXVRVPMWJHLV-JTQLQIEISA-N 0 1 237.259 1.381 20 5 BDBDMN O=[N+]([O-])c1cncc(O[C@@H]2CN3CCC2CC3)c1 ZINC001227988834 975835074 /nfs/dbraw/zinc/83/50/74/975835074.db2.gz YMVCHKYJDPMDBD-GFCCVEGCSA-N 0 1 249.270 1.463 20 5 BDBDMN CCC[C@H](C)Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229380904 976849955 /nfs/dbraw/zinc/84/99/55/976849955.db2.gz NEKLOYCKRDHNNT-LURJTMIESA-N 0 1 241.247 1.966 20 5 BDBDMN O=[N+]([O-])c1cc2cn[nH]c2cc1O[C@@H]1CCOC1 ZINC001230595613 977270733 /nfs/dbraw/zinc/27/07/33/977270733.db2.gz LKSSRVMKXVZDKT-MRVPVSSYSA-N 0 1 249.226 1.639 20 5 BDBDMN Cc1ncn(-c2cc([N+](=O)[O-])ccc2F)c1N ZINC001175734207 977668628 /nfs/dbraw/zinc/66/86/28/977668628.db2.gz NQBYGHITXXKBLL-UHFFFAOYSA-N 0 1 236.206 1.810 20 5 BDBDMN Cc1c(CNCc2nnc[nH]2)cccc1[N+](=O)[O-] ZINC001560626483 983945781 /nfs/dbraw/zinc/94/57/81/983945781.db2.gz PPRZDLJNZWYTRD-UHFFFAOYSA-N 0 1 247.258 1.311 20 5 BDBDMN O=[N+]([O-])c1ccc(NC[C@H](O)c2cnc[nH]2)cc1 ZINC001458592844 985337136 /nfs/dbraw/zinc/33/71/36/985337136.db2.gz QNTGOFMPUWAUOC-NSHDSACASA-N 0 1 248.242 1.463 20 5 BDBDMN C=C/C=C/CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001303176521 995138144 /nfs/dbraw/zinc/13/81/44/995138144.db2.gz MQSOZRHQGHGHBY-ONEGZZNKSA-N 0 1 236.231 1.180 20 5 BDBDMN Cc1cc(CNc2cccnc2[N+](=O)[O-])n[nH]1 ZINC000609595836 342887701 /nfs/dbraw/zinc/88/77/01/342887701.db2.gz XEGUWPQOCIMMPD-UHFFFAOYSA-N 0 1 233.231 1.633 20 5 BDBDMN Cc1c(Cn2ccnc2CN)cccc1[N+](=O)[O-] ZINC000060280969 343346705 /nfs/dbraw/zinc/34/67/05/343346705.db2.gz PESNYEZENLIITF-UHFFFAOYSA-N 0 1 246.270 1.607 20 5 BDBDMN C[C@@H](Nc1ccncc1[N+](=O)[O-])c1nnc[nH]1 ZINC000230431701 344681887 /nfs/dbraw/zinc/68/18/87/344681887.db2.gz ZDRUZGIFJFWLSA-ZCFIWIBFSA-N 0 1 234.219 1.281 20 5 BDBDMN O=[N+]([O-])c1ccc(-c2nc([C@@H]3CCC[NH2+]3)no2)[n-]1 ZINC000592357299 347772538 /nfs/dbraw/zinc/77/25/38/347772538.db2.gz VQSIOZWBCLCKDJ-LURJTMIESA-N 0 1 249.230 1.397 20 5 BDBDMN Cc1nc(N(C)Cc2cnc[nH]2)ccc1[N+](=O)[O-] ZINC000596306926 348492617 /nfs/dbraw/zinc/49/26/17/348492617.db2.gz UFZLZLPSVVPOSB-UHFFFAOYSA-N 0 1 247.258 1.658 20 5 BDBDMN CC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C1CC1 ZINC000598232179 348915855 /nfs/dbraw/zinc/91/58/55/348915855.db2.gz FDMKQEGBXJCJFD-ZETCQYMHSA-N 0 1 238.247 1.236 20 5 BDBDMN CC1(C)CC(NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000598504200 348986258 /nfs/dbraw/zinc/98/62/58/348986258.db2.gz HDVQRIOHQUPXLY-UHFFFAOYSA-N 0 1 238.247 1.236 20 5 BDBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](O)C1 ZINC000072632479 351328719 /nfs/dbraw/zinc/32/87/19/351328719.db2.gz OHIDJZQBIRLFKQ-UWVGGRQHSA-N 0 1 236.271 1.722 20 5 BDBDMN CCO[C@H]1C[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000581586975 367613189 /nfs/dbraw/zinc/61/31/89/367613189.db2.gz FPBCHJLUDBXLKE-NEPJUHHUSA-N 0 1 236.271 1.862 20 5 BDBDMN O=[N+]([O-])c1ccc(N2CCN(C3CC3)CC2)cc1 ZINC000067384107 368687035 /nfs/dbraw/zinc/68/70/35/368687035.db2.gz WYHRUYMSJSNTOH-UHFFFAOYSA-N 0 1 247.298 1.879 20 5 BDBDMN Cc1[nH]ncc1CN(C)c1ccncc1[N+](=O)[O-] ZINC000601181504 371735698 /nfs/dbraw/zinc/73/56/98/371735698.db2.gz LPBQURLPWVMTKK-UHFFFAOYSA-N 0 1 247.258 1.658 20 5 BDBDMN CCN(Cc1cn(C)nc1[N+](=O)[O-])C1CCC1 ZINC000602476100 371809641 /nfs/dbraw/zinc/80/96/41/371809641.db2.gz CKUXLJQPHTXBMW-UHFFFAOYSA-N 0 1 238.291 1.703 20 5 BDBDMN O=C(NC12CCC(CC1)C2)[C@@H]1CC1[N+](=O)[O-] ZINC000371746357 182091624 /nfs/dbraw/zinc/09/16/24/182091624.db2.gz IRGSQQVNTZXPPH-VCZAYRLQSA-N 0 1 224.260 1.101 20 5 BDBDMN O=C(NC12CCC(CC1)C2)[C@@H]1CC1[N+](=O)[O-] ZINC000371746354 182091890 /nfs/dbraw/zinc/09/18/90/182091890.db2.gz IRGSQQVNTZXPPH-GWMJWBFUSA-N 0 1 224.260 1.101 20 5 BDBDMN O=C(NC12CCC(CC1)C2)[C@H]1CC1[N+](=O)[O-] ZINC000371746356 182092063 /nfs/dbraw/zinc/09/20/63/182092063.db2.gz IRGSQQVNTZXPPH-UVCIYIGYSA-N 0 1 224.260 1.101 20 5 BDBDMN O=C(N[C@@H]1CC=CCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000179380554 182291340 /nfs/dbraw/zinc/29/13/40/182291340.db2.gz WAWOSEYDSHYKIT-SSDOTTSWSA-N 0 1 236.231 1.156 20 5 BDBDMN CC[C@@H](C)[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000119178791 384862053 /nfs/dbraw/zinc/86/20/53/384862053.db2.gz MEBFKOFPJVVIQX-RNFRBKRXSA-N 0 1 240.263 1.482 20 5 BDBDMN C[C@H](CF)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000288095644 385265794 /nfs/dbraw/zinc/26/57/94/385265794.db2.gz GPTKRMKMAVJUBS-ZCFIWIBFSA-N 0 1 242.206 1.388 20 5 BDBDMN Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000294276550 385978647 /nfs/dbraw/zinc/97/86/47/385978647.db2.gz UFHIYYYIRYNZOE-VDTYLAMSSA-N 0 1 238.247 1.107 20 5 BDBDMN Cc1[nH]ncc1CNc1ccncc1[N+](=O)[O-] ZINC000038011947 386302449 /nfs/dbraw/zinc/30/24/49/386302449.db2.gz OEDMNPFWZPUTNY-UHFFFAOYSA-N 0 1 233.231 1.633 20 5 BDBDMN CC[C@@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269157578 386943403 /nfs/dbraw/zinc/94/34/03/386943403.db2.gz VXSKYWDIISJAAL-SSDOTTSWSA-N 0 1 238.243 1.829 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC12CCCCC2 ZINC000373005286 388085641 /nfs/dbraw/zinc/08/56/41/388085641.db2.gz DZKHBLRJVTYZPK-NXEZZACHSA-N 0 1 238.287 1.587 20 5 BDBDMN CCC1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000133767199 388389683 /nfs/dbraw/zinc/38/96/83/388389683.db2.gz ZCWVPOBPGKADHE-UHFFFAOYSA-N 0 1 238.247 1.238 20 5 BDBDMN CN(CCCCO)Cc1ccccc1[N+](=O)[O-] ZINC000170871278 388586248 /nfs/dbraw/zinc/58/62/48/388586248.db2.gz CZMFDHSJALNGSW-UHFFFAOYSA-N 0 1 238.287 1.799 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1C1CC1 ZINC000377541505 388725770 /nfs/dbraw/zinc/72/57/70/388725770.db2.gz DEDBGSDDXXWUAI-KXUCPTDWSA-N 0 1 224.260 1.053 20 5 BDBDMN CCCCN(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000299450341 388839298 /nfs/dbraw/zinc/83/92/98/388839298.db2.gz QNMDARILYGZLFY-UHFFFAOYSA-N 0 1 240.263 1.498 20 5 BDBDMN O=[N+]([O-])c1ccc(NCCCc2nc[nH]n2)cn1 ZINC000080588848 135382973 /nfs/dbraw/zinc/38/29/73/135382973.db2.gz LEJQXGOJLAPZPC-UHFFFAOYSA-N 0 1 248.246 1.153 20 5 BDBDMN CCNCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000044626032 170130375 /nfs/dbraw/zinc/13/03/75/170130375.db2.gz LCCFVDOMDFGKLA-UHFFFAOYSA-N 0 1 248.242 1.754 20 5 BDBDMN COCCNCc1csc([N+](=O)[O-])c1 ZINC000037472309 174335357 /nfs/dbraw/zinc/33/53/57/174335357.db2.gz KVYGEIBTWHATEZ-UHFFFAOYSA-N 0 1 216.262 1.392 20 5 BDBDMN C[C@@H]1CCC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000152788793 176131244 /nfs/dbraw/zinc/13/12/44/176131244.db2.gz GYKAONNMTYHKLS-RQJHMYQMSA-N 0 1 238.247 1.236 20 5 BDBDMN C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000351810986 177265440 /nfs/dbraw/zinc/26/54/40/177265440.db2.gz OLMPZJFMKMMXRX-CABZTGNLSA-N 0 1 236.271 1.407 20 5 BDBDMN Cc1[nH]ncc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000070982431 325049046 /nfs/dbraw/zinc/04/90/46/325049046.db2.gz YQGGDOAWNMDCCR-UHFFFAOYSA-N 0 1 246.226 1.879 20 5 BDBDMN O=C(OC[C@@H]1Cc2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000840673117 583421760 /nfs/dbraw/zinc/42/17/60/583421760.db2.gz HPDSXWNFZHSTPX-MVWJERBFSA-N 0 1 247.250 1.535 20 5 BDBDMN O=C(OC[C@H]1CCCC1(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000840674322 583427773 /nfs/dbraw/zinc/42/77/73/583427773.db2.gz LTVUSDAQKUTFGI-BWZBUEFSSA-N 0 1 249.213 1.630 20 5 BDBDMN Cc1ncccc1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840675205 583438697 /nfs/dbraw/zinc/43/86/97/583438697.db2.gz UDBZEIQLCIZTET-NXEZZACHSA-N 0 1 236.227 1.098 20 5 BDBDMN Cc1ccc(CNCC[N+](=O)[O-])cc1F ZINC000899864722 584244263 /nfs/dbraw/zinc/24/42/63/584244263.db2.gz MHDZTCJTYMCBMY-UHFFFAOYSA-N 0 1 212.224 1.500 20 5 BDBDMN CN(Cc1ccccc1)C1CN(CC[N+](=O)[O-])C1 ZINC000899885070 584246531 /nfs/dbraw/zinc/24/65/31/584246531.db2.gz GBUCAUHLGGHPJM-UHFFFAOYSA-N 0 1 249.314 1.079 20 5 BDBDMN O=[N+]([O-])CCSc1nc(C2CC2)n[nH]1 ZINC000901447320 584447179 /nfs/dbraw/zinc/44/71/79/584447179.db2.gz MPHUSTVTGOKUEJ-UHFFFAOYSA-N 0 1 214.250 1.051 20 5 BDBDMN O=[N+]([O-])CCSc1n[nH]c(C2CC2)n1 ZINC000901447320 584447181 /nfs/dbraw/zinc/44/71/81/584447181.db2.gz MPHUSTVTGOKUEJ-UHFFFAOYSA-N 0 1 214.250 1.051 20 5 BDBDMN COCC[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC000842320617 584892154 /nfs/dbraw/zinc/89/21/54/584892154.db2.gz VWNALWKNEOXCSS-BBBLOLIVSA-N 0 1 245.275 1.256 20 5 BDBDMN CC(C)[C@@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839581560 585330924 /nfs/dbraw/zinc/33/09/24/585330924.db2.gz UFRBNWOMFXJZHB-KXUCPTDWSA-N 0 1 226.276 1.299 20 5 BDBDMN C[C@H](c1ccccn1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839599193 585331695 /nfs/dbraw/zinc/33/16/95/585331695.db2.gz VQBSABZGNBPSMJ-FXPVBKGRSA-N 0 1 249.270 1.266 20 5 BDBDMN C[C@@H]1[C@H](C)SCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839685314 585335062 /nfs/dbraw/zinc/33/50/62/585335062.db2.gz CEMCYXRDTCSVOM-BZNPZCIMSA-N 0 1 244.316 1.004 20 5 BDBDMN CC(C)C[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839695116 585335486 /nfs/dbraw/zinc/33/54/86/585335486.db2.gz YVLJUNAFQUNVFS-HBNTYKKESA-N 0 1 240.303 1.546 20 5 BDBDMN C[C@@H](N(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C1(C)CC1 ZINC000839699164 585335665 /nfs/dbraw/zinc/33/56/65/585335665.db2.gz JMIRUSXKMVSUFK-IWSPIJDZSA-N 0 1 226.276 1.299 20 5 BDBDMN CC1(C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCS1 ZINC000839700590 585335864 /nfs/dbraw/zinc/33/58/64/585335864.db2.gz PEXMCXXTTCPGOF-HTQZYQBOSA-N 0 1 244.316 1.006 20 5 BDBDMN C[C@@H]1CC[C@H](C)N1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839701019 585336069 /nfs/dbraw/zinc/33/60/69/585336069.db2.gz JDIYTJQVGPHJAX-BZNPZCIMSA-N 0 1 212.249 1.051 20 5 BDBDMN O=C(NC[C@H]1CCCCS1)[C@@H]1CC1[N+](=O)[O-] ZINC000839722024 585338601 /nfs/dbraw/zinc/33/86/01/585338601.db2.gz AGTPWEUUSWEFKM-IWSPIJDZSA-N 0 1 244.316 1.054 20 5 BDBDMN C[C@H]1CC2(CCC2)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839743621 585339865 /nfs/dbraw/zinc/33/98/65/585339865.db2.gz QTWYUXMDWSDCOW-IVZWLZJFSA-N 0 1 238.287 1.443 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2CCCC[C@@H]2C1 ZINC000839783626 585342002 /nfs/dbraw/zinc/34/20/02/585342002.db2.gz SBDKYPUTIRSKJM-LMLFDSFASA-N 0 1 238.287 1.300 20 5 BDBDMN Cc1cccc([C@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839794603 585433722 /nfs/dbraw/zinc/43/37/22/585433722.db2.gz YXSVTJSKMLAQQL-MVWJERBFSA-N 0 1 248.282 1.837 20 5 BDBDMN CC(C)[C@@H]1CN(CC[N+](=O)[O-])CCS1 ZINC000791052048 585972797 /nfs/dbraw/zinc/97/27/97/585972797.db2.gz KJHVDCAEGWDPQM-VIFPVBQESA-N 0 1 218.322 1.337 20 5 BDBDMN CN(CCCOc1ccccc1)CC[N+](=O)[O-] ZINC000791052785 585972848 /nfs/dbraw/zinc/97/28/48/585972848.db2.gz DCBHOGNPDGLCNX-UHFFFAOYSA-N 0 1 238.287 1.664 20 5 BDBDMN C[C@H]1CCN(CC[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000791055813 585973735 /nfs/dbraw/zinc/97/37/35/585973735.db2.gz YVDPIBJRKVYIKB-WDEREUQCSA-N 0 1 238.291 1.043 20 5 BDBDMN C[C@@]1(OC(=O)c2ccc([N+](=O)[O-])[nH]2)CCOC1 ZINC000802902692 586321894 /nfs/dbraw/zinc/32/18/94/586321894.db2.gz JIBPJWQLGUQWIL-SNVBAGLBSA-N 0 1 240.215 1.259 20 5 BDBDMN CC(C)[C@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840353153 586868930 /nfs/dbraw/zinc/86/89/30/586868930.db2.gz AJCSAKJUTDYFTJ-GMTAPVOTSA-N 0 1 240.303 1.689 20 5 BDBDMN O=C(NC1(C(F)F)CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000840463493 587106049 /nfs/dbraw/zinc/10/60/49/587106049.db2.gz YJWHTTBPBDIHLK-RNFRBKRXSA-N 0 1 248.229 1.346 20 5 BDBDMN C[C@H]1CCCC[C@@]1(C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840475081 587193493 /nfs/dbraw/zinc/19/34/93/587193493.db2.gz SMTKFRGOYUCMSW-BTQIBKBOSA-N 0 1 240.303 1.737 20 5 BDBDMN C[C@@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000840670213 587915855 /nfs/dbraw/zinc/91/58/55/587915855.db2.gz DAGFBOFOGVZFNI-MVWJERBFSA-N 0 1 249.266 1.999 20 5 BDBDMN O=C(OC[C@@H]1CC=CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000841001630 587934211 /nfs/dbraw/zinc/93/42/11/587934211.db2.gz RPFMJAHXKULOBY-OPRDCNLKSA-N 0 1 225.244 1.551 20 5 BDBDMN C[C@H](Cc1ccccc1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842298405 588015473 /nfs/dbraw/zinc/01/54/73/588015473.db2.gz AYCVCVXGBCINKA-YUSALJHKSA-N 0 1 249.266 1.826 20 5 BDBDMN C[C@@H]1CC(OC(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H](C)O1 ZINC000842337036 588019209 /nfs/dbraw/zinc/01/92/09/588019209.db2.gz ZDVCIGVQURQKHY-KHUVANEUSA-N 0 1 243.259 1.151 20 5 BDBDMN O=C(OCC1=CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000842345473 588020299 /nfs/dbraw/zinc/02/02/99/588020299.db2.gz MTFJWGWQTVASRD-RKDXNWHRSA-N 0 1 211.217 1.305 20 5 BDBDMN CCO[C@@H]1CCC[C@H]1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842349581 588020512 /nfs/dbraw/zinc/02/05/12/588020512.db2.gz YXQNBIUSJSSPHN-ZYUZMQFOSA-N 0 1 243.259 1.152 20 5 BDBDMN O=C(OCC[C@@H]1CC1(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000851385261 588603631 /nfs/dbraw/zinc/60/36/31/588603631.db2.gz JYZHNSSISNOPLD-FSDSQADBSA-N 0 1 235.186 1.240 20 5 BDBDMN CCN(Cc1cn(C)nc1[N+](=O)[O-])C(C)C ZINC000876560238 590216052 /nfs/dbraw/zinc/21/60/52/590216052.db2.gz GFQUPRUOVIOHCF-UHFFFAOYSA-N 0 1 226.280 1.559 20 5 BDBDMN C[C@H]1CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000885980002 592120408 /nfs/dbraw/zinc/12/04/08/592120408.db2.gz QRCGNYACMYPREA-VIFPVBQESA-N 0 1 221.260 1.832 20 5 BDBDMN O=[N+]([O-])c1ncccc1CN1CC[C@@H](CF)C1 ZINC000886317118 592207694 /nfs/dbraw/zinc/20/76/94/592207694.db2.gz YVNCSNFNHVPLIR-VIFPVBQESA-N 0 1 239.250 1.781 20 5 BDBDMN C[C@H](COc1ccccc1)NCC[N+](=O)[O-] ZINC000905056399 637588554 /nfs/dbraw/zinc/58/85/54/637588554.db2.gz ZACCOLISEMKZJQ-SNVBAGLBSA-N 0 1 224.260 1.320 20 5 BDBDMN Cc1cccc2c1OC[C@@H](NCC[N+](=O)[O-])C2 ZINC000905263218 637717261 /nfs/dbraw/zinc/71/72/61/637717261.db2.gz LLGLCGXPESDBRG-NSHDSACASA-N 0 1 236.271 1.165 20 5 BDBDMN C[C@@H]1CCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000905975243 637991454 /nfs/dbraw/zinc/99/14/54/637991454.db2.gz PYNMUXPDVVKSHW-BXKDBHETSA-N 0 1 236.271 1.722 20 5 BDBDMN O=[N+]([O-])CCN1CC[C@@H](c2ccncc2)C1 ZINC000930516549 639794700 /nfs/dbraw/zinc/79/47/00/639794700.db2.gz MPSFOOKALRERTG-LLVKDONJSA-N 0 1 221.260 1.148 20 5 BDBDMN CN(c1ccccc1)[C@@H]1CCN(CC[N+](=O)[O-])C1 ZINC000931058883 640046515 /nfs/dbraw/zinc/04/65/15/640046515.db2.gz FJKKSRLWBPBEBN-CYBMUJFWSA-N 0 1 249.314 1.474 20 5 BDBDMN Cc1ccc(COC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC000842369192 641253264 /nfs/dbraw/zinc/25/32/64/641253264.db2.gz FBPHFWPIGCSGFS-RKDXNWHRSA-N 0 1 225.200 1.296 20 5 BDBDMN Cc1nc(C)c(Cn2c(C)ncc2[N+](=O)[O-])[nH]1 ZINC000916772231 641977968 /nfs/dbraw/zinc/97/79/68/641977968.db2.gz AUBOVSWDKNLOIB-UHFFFAOYSA-N 0 1 235.247 1.488 20 5 BDBDMN O=C(OC[C@H]1CCCO1)c1ccc([N+](=O)[O-])[nH]1 ZINC000919668483 642367788 /nfs/dbraw/zinc/36/77/88/642367788.db2.gz HVZBYYUBFGTBOZ-SSDOTTSWSA-N 0 1 240.215 1.259 20 5 BDBDMN O=C(OC[C@H]1CCOC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000919668089 642369414 /nfs/dbraw/zinc/36/94/14/642369414.db2.gz CXQJCUCLDQUBFU-ZETCQYMHSA-N 0 1 240.215 1.116 20 5 BDBDMN CC(C)[C@H]1CCCN1Cn1cc([N+](=O)[O-])cn1 ZINC000920484083 642509454 /nfs/dbraw/zinc/50/94/54/642509454.db2.gz BSUHLOLNDMQOBZ-LLVKDONJSA-N 0 1 238.291 1.869 20 5 BDBDMN O=[N+]([O-])c1cc(CN[C@H]2C[C@H](CO)C2)cs1 ZINC000923006774 644226236 /nfs/dbraw/zinc/22/62/36/644226236.db2.gz FDJMFGJJOKXVKJ-XWEPSHTISA-N 0 1 242.300 1.517 20 5 BDBDMN C[C@@H](Cc1ccc(O)cc1)N(C)CC[N+](=O)[O-] ZINC000929850649 646362028 /nfs/dbraw/zinc/36/20/28/646362028.db2.gz LPQIBBGMMRFMSA-JTQLQIEISA-N 0 1 238.287 1.532 20 5 BDBDMN C[C@H]1COC[C@@H]1NCc1csc([N+](=O)[O-])c1 ZINC000699765294 966079504 /nfs/dbraw/zinc/07/95/04/966079504.db2.gz YIRRAHXZHFZGDG-CBAPKCEASA-N 0 1 242.300 1.781 20 5 BDBDMN C[C@@H]1CN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169005976 969330170 /nfs/dbraw/zinc/33/01/70/969330170.db2.gz DTVWDJRRUCLGFX-VWYCJHECSA-N 0 1 240.303 1.343 20 5 BDBDMN Cc1ccncc1[C@@H](C)NCC[N+](=O)[O-] ZINC001332835629 975291701 /nfs/dbraw/zinc/29/17/01/975291701.db2.gz PQMXIYWSKSOPFM-SECBINFHSA-N 0 1 209.249 1.317 20 5 BDBDMN CC(C)Cc1nnc(-c2[nH]cnc2[N+](=O)[O-])o1 ZINC001256481518 970851575 /nfs/dbraw/zinc/85/15/75/970851575.db2.gz RABIRJIHPXAQFZ-UHFFFAOYSA-N 0 1 237.219 1.566 20 5 BDBDMN O=[N+]([O-])c1ccc([O-])c(O[C@H]2CC[NH2+]C2)c1 ZINC001218181120 971614007 /nfs/dbraw/zinc/61/40/07/971614007.db2.gz HRKQQOFFKAQCFN-QMMMGPOBSA-N 0 1 224.216 1.041 20 5 BDBDMN CN1CC[C@@H]1CNc1ccccc1[N+](=O)[O-] ZINC000712597188 957618069 /nfs/dbraw/zinc/61/80/69/957618069.db2.gz WZOQMFMYHBNARM-SECBINFHSA-N 0 1 221.260 1.711 20 5 BDBDMN O=[N+]([O-])c1ccc(O)cc1OC[C@H]1C[C@H](O)C1 ZINC001218424891 960085795 /nfs/dbraw/zinc/08/57/95/960085795.db2.gz ZKVYFMZKHNIATB-XWEPSHTISA-N 0 1 239.227 1.450 20 5 BDBDMN Cc1cnc(N2CCN3CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001158425897 963869764 /nfs/dbraw/zinc/86/97/64/963869764.db2.gz TUFFJAPFKHFOQR-SNVBAGLBSA-N 0 1 248.286 1.193 20 5 BDBDMN O=[N+]([O-])C[C@@H]1CC[C@H](NCc2ccon2)C1 ZINC001168956315 969305542 /nfs/dbraw/zinc/30/55/42/969305542.db2.gz AWUOQQPTBUZVIP-BDAKNGLRSA-N 0 1 225.248 1.210 20 5 BDBDMN CN(Cc1ccon1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037033 969358799 /nfs/dbraw/zinc/35/87/99/969358799.db2.gz HWWMDNNROVSVDN-ONGXEEELSA-N 0 1 239.275 1.552 20 5 BDBDMN CC(C)OC1CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169050012 969369600 /nfs/dbraw/zinc/36/96/00/969369600.db2.gz XWJPEBOQUCMPSM-WDEREUQCSA-N 0 1 242.319 1.541 20 5 BDBDMN Cc1ncn(C)c1Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001209934694 969696288 /nfs/dbraw/zinc/69/62/88/969696288.db2.gz LWIXSYRSQCMELB-UHFFFAOYSA-N 0 1 247.258 1.963 20 5 BDBDMN CCc1nnc(-c2ccc(O)cc2[N+](=O)[O-])o1 ZINC001255138295 969951908 /nfs/dbraw/zinc/95/19/08/969951908.db2.gz SXIGKXPQZDOTPJ-UHFFFAOYSA-N 0 1 235.199 1.913 20 5 BDBDMN C[N@H+]1CC[C@H](Oc2cccc([O-])c2[N+](=O)[O-])C1 ZINC001225621142 974603354 /nfs/dbraw/zinc/60/33/54/974603354.db2.gz CHOPSEQNYOPASW-QMMMGPOBSA-N 0 1 238.243 1.383 20 5 BDBDMN CC(=O)[C@H](C)Oc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC001230601840 977266308 /nfs/dbraw/zinc/26/63/08/977266308.db2.gz RFGFJJPWHRLTHT-ZETCQYMHSA-N 0 1 249.226 1.827 20 5 BDBDMN CC(=O)[C@H](C)Oc1nc(C)cc(O)c1[N+](=O)[O-] ZINC001231259506 977547499 /nfs/dbraw/zinc/54/74/99/977547499.db2.gz NKCOYRCSFHAHJG-ZETCQYMHSA-N 0 1 240.215 1.360 20 5 BDBDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC001589616265 987477856 /nfs/dbraw/zinc/47/78/56/987477856.db2.gz RFNBYBRPFXAGTR-SECBINFHSA-N 0 1 244.291 1.086 20 5 BDBDMN CC[C@](C)(C(=O)[O-])[N@@H+](CC[N+](=O)[O-])CC1CC1 ZINC001594787687 987864246 /nfs/dbraw/zinc/86/42/46/987864246.db2.gz KVECOXMFHDEOHA-LLVKDONJSA-N 0 1 244.291 1.228 20 5 BDBDMN Cc1cc([N+](=O)[O-])cnc1NCCc1nc[nH]n1 ZINC000080589583 178274597 /nfs/dbraw/zinc/27/45/97/178274597.db2.gz WIILKJRXSDHOBV-UHFFFAOYSA-N 0 1 248.246 1.071 20 5 BDBDMN Cn1cc(CN2CCCCCC2)c([N+](=O)[O-])n1 ZINC000602428621 349533481 /nfs/dbraw/zinc/53/34/81/349533481.db2.gz QERIHFLJSXJVKX-UHFFFAOYSA-N 0 1 238.291 1.704 20 5 BDBDMN CN(Cc1ccccc1[N+](=O)[O-])C(C)(C)CO ZINC000134842431 342898561 /nfs/dbraw/zinc/89/85/61/342898561.db2.gz AWEHBDMRJDLFFN-UHFFFAOYSA-N 0 1 238.287 1.798 20 5 BDBDMN Cc1[nH]nc(C(=O)N2CC=CCC2)c1[N+](=O)[O-] ZINC000611517792 344749297 /nfs/dbraw/zinc/74/92/97/344749297.db2.gz HVPGEHNMPOCLGA-UHFFFAOYSA-N 0 1 236.231 1.028 20 5 BDBDMN Cc1nc(N2CC[N@H+]3CC[C@H]2C3)ccc1[N+](=O)[O-] ZINC000599082732 537862639 /nfs/dbraw/zinc/86/26/39/537862639.db2.gz GNYSUWUIFORAIG-JTQLQIEISA-N 0 1 248.286 1.193 20 5 BDBDMN O=[N+]([O-])c1ccccc1CN[C@H]1C[C@H](O)C1 ZINC000594998877 348168427 /nfs/dbraw/zinc/16/84/27/348168427.db2.gz KLMRTUKMSXXRIM-MGCOHNPYSA-N 0 1 222.244 1.208 20 5 BDBDMN O=[N+]([O-])c1cc(CNC[C@H]2CCCO2)cs1 ZINC000037472328 364053673 /nfs/dbraw/zinc/05/36/73/364053673.db2.gz XYACERYLVIUFFV-SECBINFHSA-N 0 1 242.300 1.925 20 5 BDBDMN C[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])CO1 ZINC000401952633 369375759 /nfs/dbraw/zinc/37/57/59/369375759.db2.gz VVUCSGPXUWRNEQ-ONGXEEELSA-N 0 1 236.271 1.862 20 5 BDBDMN Cc1ccc([C@H](C)NCC(N)=O)cc1[N+](=O)[O-] ZINC000020083351 370236236 /nfs/dbraw/zinc/23/62/36/370236236.db2.gz JVCDDWQVBSNIGT-QMMMGPOBSA-N 0 1 237.259 1.039 20 5 BDBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C1CCC1 ZINC000126423389 371520921 /nfs/dbraw/zinc/52/09/21/371520921.db2.gz DFFSTHJUKZTNTQ-ZCFIWIBFSA-N 0 1 238.247 1.236 20 5 BDBDMN C[C@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602449140 371805380 /nfs/dbraw/zinc/80/53/80/371805380.db2.gz NRUPSVZJMXPSHL-QMMMGPOBSA-N 0 1 224.264 1.170 20 5 BDBDMN CC1(NC/C=C/c2ccccc2[N+](=O)[O-])COC1 ZINC000602739109 371836926 /nfs/dbraw/zinc/83/69/26/371836926.db2.gz JGEXFCKGMZZDBR-GQCTYLIASA-N 0 1 248.282 1.987 20 5 BDBDMN O=C(NCC1CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269160043 182139852 /nfs/dbraw/zinc/13/98/52/182139852.db2.gz XDSAKQHEJYLMFP-UHFFFAOYSA-N 0 1 236.227 1.440 20 5 BDBDMN CCCN(CCO)Cc1ccccc1[N+](=O)[O-] ZINC000049825389 169167456 /nfs/dbraw/zinc/16/74/56/169167456.db2.gz VYCZVIQXMGWPGA-UHFFFAOYSA-N 0 1 238.287 1.799 20 5 BDBDMN C[C@@H](CO)[N@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339051954 383892457 /nfs/dbraw/zinc/89/24/57/383892457.db2.gz HCFGRDPCHKENBT-QMMMGPOBSA-N 0 1 240.259 1.113 20 5 BDBDMN C[C@@H](CO)[N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339051954 383892464 /nfs/dbraw/zinc/89/24/64/383892464.db2.gz HCFGRDPCHKENBT-QMMMGPOBSA-N 0 1 240.259 1.113 20 5 BDBDMN CC1(C)CC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000286925595 384447625 /nfs/dbraw/zinc/44/76/25/384447625.db2.gz DKOZRTMAWAGQHX-SSDOTTSWSA-N 0 1 238.247 1.236 20 5 BDBDMN Cc1nc(CCNc2ccc([N+](=O)[O-])nc2)n[nH]1 ZINC000340744155 384565607 /nfs/dbraw/zinc/56/56/07/384565607.db2.gz NRNSPBNODXAGTJ-UHFFFAOYSA-N 0 1 248.246 1.071 20 5 BDBDMN Cc1nnc(CCNc2ccc([N+](=O)[O-])nc2)[nH]1 ZINC000340744155 384565615 /nfs/dbraw/zinc/56/56/15/384565615.db2.gz NRNSPBNODXAGTJ-UHFFFAOYSA-N 0 1 248.246 1.071 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1C1CCC1 ZINC000361575276 385084750 /nfs/dbraw/zinc/08/47/50/385084750.db2.gz IFZPVDXXVHIAOQ-VWYCJHECSA-N 0 1 238.287 1.443 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CCCC2)C1 ZINC000365638444 385071716 /nfs/dbraw/zinc/07/17/16/385071716.db2.gz SCMQJDKHCAIWFZ-ZJUUUORDSA-N 0 1 238.287 1.444 20 5 BDBDMN CC(C)(C)CCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840670599 583403725 /nfs/dbraw/zinc/40/37/25/583403725.db2.gz IXTHAFQTGNYNOG-HTQZYQBOSA-N 0 1 215.249 1.631 20 5 BDBDMN CC(C)C[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000120312689 385679229 /nfs/dbraw/zinc/67/92/29/385679229.db2.gz SILLHGMGKOSALU-SSDOTTSWSA-N 0 1 240.263 1.482 20 5 BDBDMN CC[C@@H](CO)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000294029496 386313322 /nfs/dbraw/zinc/31/33/22/386313322.db2.gz ZRMSUSKBXZRCTJ-NSHDSACASA-N 0 1 238.287 1.798 20 5 BDBDMN O=[N+]([O-])c1cccc(COCCc2c[nH]nn2)c1 ZINC000357022182 386263901 /nfs/dbraw/zinc/26/39/01/386263901.db2.gz SVAJVTKWJFZNET-UHFFFAOYSA-N 0 1 248.242 1.472 20 5 BDBDMN NC1(c2noc(-c3cc([N+](=O)[O-])c[nH]3)n2)CCC1 ZINC000261871519 135258961 /nfs/dbraw/zinc/25/89/61/135258961.db2.gz VHGLJLWLOXOKKA-UHFFFAOYSA-N 0 1 249.230 1.311 20 5 BDBDMN CC(C)ONC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000295795030 167279251 /nfs/dbraw/zinc/27/92/51/167279251.db2.gz ZKKFPVCYCJAKKX-UHFFFAOYSA-N 0 1 240.215 1.370 20 5 BDBDMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000054070160 411202718 /nfs/dbraw/zinc/20/27/18/411202718.db2.gz DXAAXLHQAQQVKC-QMMMGPOBSA-N 0 1 238.243 1.500 20 5 BDBDMN CC[C@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269157579 171336535 /nfs/dbraw/zinc/33/65/35/171336535.db2.gz VXSKYWDIISJAAL-ZETCQYMHSA-N 0 1 238.243 1.829 20 5 BDBDMN CCn1cc(Nc2ncc([N+](=O)[O-])c(C)n2)cn1 ZINC000295431361 172188892 /nfs/dbraw/zinc/18/88/92/172188892.db2.gz FTLUTRJDUUGOOB-UHFFFAOYSA-N 0 1 248.246 1.653 20 5 BDBDMN C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000351810984 176305680 /nfs/dbraw/zinc/30/56/80/176305680.db2.gz OLMPZJFMKMMXRX-BXKDBHETSA-N 0 1 236.271 1.407 20 5 BDBDMN Cc1cc([C@H](C)OC(=O)[C@@H]2CC2[N+](=O)[O-])no1 ZINC000841211999 583505977 /nfs/dbraw/zinc/50/59/77/583505977.db2.gz KIZBZRWMHNLWCX-LKEWCRSYSA-N 0 1 240.215 1.252 20 5 BDBDMN O=C(O[C@H]1CCSC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000729210665 583965984 /nfs/dbraw/zinc/96/59/84/583965984.db2.gz SIMNXDCFPUVAEP-LURJTMIESA-N 0 1 242.256 1.585 20 5 BDBDMN CCc1cccc(CNCC[N+](=O)[O-])c1 ZINC000899892841 584248857 /nfs/dbraw/zinc/24/88/57/584248857.db2.gz ZCFGZKHYYTVHAN-UHFFFAOYSA-N 0 1 208.261 1.615 20 5 BDBDMN C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839463430 585105591 /nfs/dbraw/zinc/10/55/91/585105591.db2.gz QLBFRQNKJODDHI-ZYUZMQFOSA-N 0 1 226.276 1.347 20 5 BDBDMN O=C(OCCC1CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000744281483 585147022 /nfs/dbraw/zinc/14/70/22/585147022.db2.gz MQXKBYDGXWMGKI-UHFFFAOYSA-N 0 1 224.216 1.880 20 5 BDBDMN CC(C)C[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839695115 585335690 /nfs/dbraw/zinc/33/56/90/585335690.db2.gz YVLJUNAFQUNVFS-GMTAPVOTSA-N 0 1 240.303 1.546 20 5 BDBDMN CC[C@H]1C[C@@H](C)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839695941 585335745 /nfs/dbraw/zinc/33/57/45/585335745.db2.gz NERQLJLCNPIJJU-UTINFBMNSA-N 0 1 226.276 1.299 20 5 BDBDMN CC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC000839673713 585336379 /nfs/dbraw/zinc/33/63/79/585336379.db2.gz WMMGJSFKKOZTBQ-RKDXNWHRSA-N 0 1 226.276 1.348 20 5 BDBDMN C[C@H]1CCCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839682194 585336940 /nfs/dbraw/zinc/33/69/40/585336940.db2.gz AHQRQSXVFRBZNK-IVZWLZJFSA-N 0 1 226.276 1.443 20 5 BDBDMN C[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839735252 585337529 /nfs/dbraw/zinc/33/75/29/585337529.db2.gz ZNRDSQJNWNFYCL-GWOFURMSSA-N 0 1 240.303 1.737 20 5 BDBDMN O=C(N[C@H]1CC2CCC1CC2)[C@@H]1CC1[N+](=O)[O-] ZINC000839708016 585337693 /nfs/dbraw/zinc/33/76/93/585337693.db2.gz WIQMJAHKAPBERC-WFHLCSITSA-N 0 1 238.287 1.347 20 5 BDBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2CC=CCC2)c1 ZINC000778969361 585743175 /nfs/dbraw/zinc/74/31/75/585743175.db2.gz KLCBQWWHDGXLIM-ZDUSSCGKSA-N 0 1 248.282 1.890 20 5 BDBDMN CC1(COC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000790808106 585969071 /nfs/dbraw/zinc/96/90/71/585969071.db2.gz NHEBYTBUWNAZPG-UHFFFAOYSA-N 0 1 224.216 1.880 20 5 BDBDMN Cc1cccnc1[C@@H](NCC[N+](=O)[O-])C(C)C ZINC000791055782 585973739 /nfs/dbraw/zinc/97/37/39/585973739.db2.gz XKEPDAWPMUFZNH-NSHDSACASA-N 0 1 237.303 1.953 20 5 BDBDMN Cc1ccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000840246960 586570554 /nfs/dbraw/zinc/57/05/54/586570554.db2.gz UINFXBKGKOFZCL-NXEZZACHSA-N 0 1 221.212 1.566 20 5 BDBDMN C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CCS1 ZINC000834639330 587762257 /nfs/dbraw/zinc/76/22/57/587762257.db2.gz XVYRJKUTRDVQRJ-JQCXWYLXSA-N 0 1 244.316 1.052 20 5 BDBDMN O=C(Oc1cccc(Cl)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000841001036 587934027 /nfs/dbraw/zinc/93/40/27/587934027.db2.gz LENWLUQBILJGKQ-RKDXNWHRSA-N 0 1 241.630 1.911 20 5 BDBDMN CO[C@H]1CCC[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000841000482 587934219 /nfs/dbraw/zinc/93/42/19/587934219.db2.gz CQSWUHGOVCMFDD-AXTSPUMRSA-N 0 1 243.259 1.152 20 5 BDBDMN CO[C@@H]1CCC[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000841000485 587934280 /nfs/dbraw/zinc/93/42/80/587934280.db2.gz CQSWUHGOVCMFDD-UTINFBMNSA-N 0 1 243.259 1.152 20 5 BDBDMN Cc1cccc(C)c1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841000908 587934283 /nfs/dbraw/zinc/93/42/83/587934283.db2.gz HHBWROFJQLRLLB-NXEZZACHSA-N 0 1 235.239 1.874 20 5 BDBDMN C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841366132 587952939 /nfs/dbraw/zinc/95/29/39/587952939.db2.gz XJULDQMAQNHMFA-JDDHQFAOSA-N 0 1 226.276 1.155 20 5 BDBDMN CCOCCCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842313275 588016471 /nfs/dbraw/zinc/01/64/71/588016471.db2.gz POPNHEWNUSMXFY-RKDXNWHRSA-N 0 1 231.248 1.012 20 5 BDBDMN CC1(C)CC(COC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000842353686 588020814 /nfs/dbraw/zinc/02/08/14/588020814.db2.gz QXHZHWAGLOMMSP-RKDXNWHRSA-N 0 1 227.260 1.631 20 5 BDBDMN CC[C@H](C)[C@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])OC ZINC000842370346 588022104 /nfs/dbraw/zinc/02/21/04/588022104.db2.gz SEXGMLMYTJTVOO-JLIMGVALSA-N 0 1 245.275 1.256 20 5 BDBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCC1 ZINC000851140350 588593818 /nfs/dbraw/zinc/59/38/18/588593818.db2.gz BPGFOIOQBHDFQN-FXBDTBDDSA-N 0 1 227.260 1.774 20 5 BDBDMN O=C(N[C@H]1CCCC12CC2)[C@@H]1CC1[N+](=O)[O-] ZINC000869751375 589627081 /nfs/dbraw/zinc/62/70/81/589627081.db2.gz UCPCCXPSMOHJIK-HLTSFMKQSA-N 0 1 224.260 1.101 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(CCF)CC1 ZINC000870279022 589655254 /nfs/dbraw/zinc/65/52/54/589655254.db2.gz DZTPCKAWEHMSHF-NXEZZACHSA-N 0 1 244.266 1.250 20 5 BDBDMN Cc1sccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000870691367 589684412 /nfs/dbraw/zinc/68/44/12/589684412.db2.gz OSHOLNSBUZPAMJ-HTRCEHHLSA-N 0 1 226.257 1.660 20 5 BDBDMN C[C@@H](NC[C@H](C)O)c1c(F)cccc1[N+](=O)[O-] ZINC000872016323 589856154 /nfs/dbraw/zinc/85/61/54/589856154.db2.gz IDFXZOZIPJGRHP-JGVFFNPUSA-N 0 1 242.250 1.765 20 5 BDBDMN C[C@@H](NCCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872018624 589856945 /nfs/dbraw/zinc/85/69/45/589856945.db2.gz OCOQJDPABBUDKO-SSDOTTSWSA-N 0 1 228.223 1.377 20 5 BDBDMN O=C(N[C@H]1CCCC2(CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000888691506 590182691 /nfs/dbraw/zinc/18/26/91/590182691.db2.gz HOTVWNGMDJXGQB-IVZWLZJFSA-N 0 1 238.287 1.491 20 5 BDBDMN CC1(C)CN(CC[N+](=O)[O-])CCS1 ZINC000307679890 635951722 /nfs/dbraw/zinc/95/17/22/635951722.db2.gz NUPBVQNBNFZBAP-UHFFFAOYSA-N 0 1 204.295 1.091 20 5 BDBDMN O=[N+]([O-])CCN1CC2(CCC2)[C@H]1C1CC1 ZINC000899886172 637147877 /nfs/dbraw/zinc/14/78/77/637147877.db2.gz RQKKNZBNMWHGFP-SNVBAGLBSA-N 0 1 210.277 1.528 20 5 BDBDMN CN(C)c1ccc(CNCC[N+](=O)[O-])cc1F ZINC000905076331 637606990 /nfs/dbraw/zinc/60/69/90/637606990.db2.gz OOBOGHDRDKNYOM-UHFFFAOYSA-N 0 1 241.266 1.258 20 5 BDBDMN O=[N+]([O-])CCNCCOc1ccc(F)c(F)c1 ZINC000905094445 637631216 /nfs/dbraw/zinc/63/12/16/637631216.db2.gz FLMNAPKVNWOQSL-UHFFFAOYSA-N 0 1 246.213 1.210 20 5 BDBDMN C[C@H](CNCC[N+](=O)[O-])Oc1ccccc1F ZINC000905138339 637646684 /nfs/dbraw/zinc/64/66/84/637646684.db2.gz PZJUERVOKJPEKK-SECBINFHSA-N 0 1 242.250 1.459 20 5 BDBDMN C[C@@H](NCC[N+](=O)[O-])[C@H](O)c1cccc(F)c1 ZINC000905363841 637788029 /nfs/dbraw/zinc/78/80/29/637788029.db2.gz GXKDTLQVAFYFFQ-KCJUWKMLSA-N 0 1 242.250 1.114 20 5 BDBDMN CCc1ccc([C@H](O)CNCC[N+](=O)[O-])cc1 ZINC000905366752 637789827 /nfs/dbraw/zinc/78/98/27/637789827.db2.gz HVAVDFSOGXWLRO-GFCCVEGCSA-N 0 1 238.287 1.149 20 5 BDBDMN O=[N+]([O-])CCN[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000905393942 637807088 /nfs/dbraw/zinc/80/70/88/637807088.db2.gz DDWNUHBWTUSOMR-GXSJLCMTSA-N 0 1 242.225 1.687 20 5 BDBDMN O=[N+]([O-])CCNCc1ccc(-c2cnco2)cc1 ZINC000906546773 638208572 /nfs/dbraw/zinc/20/85/72/638208572.db2.gz SMGMASBCJDPCPI-UHFFFAOYSA-N 0 1 247.254 1.708 20 5 BDBDMN CO[C@@H]1C[C@H]([N@@H+](C)CC[N+](=O)[O-])C12CCC2 ZINC000930652827 639841220 /nfs/dbraw/zinc/84/12/20/639841220.db2.gz PJSNLSCBXYEDJE-VHSXEESVSA-N 0 1 228.292 1.153 20 5 BDBDMN CO[C@@H]1C[C@H](N(C)CC[N+](=O)[O-])C12CCC2 ZINC000930652827 639841221 /nfs/dbraw/zinc/84/12/21/639841221.db2.gz PJSNLSCBXYEDJE-VHSXEESVSA-N 0 1 228.292 1.153 20 5 BDBDMN CC(C)(C)OC[C@H]1CCCN1CC[N+](=O)[O-] ZINC000932168485 640447803 /nfs/dbraw/zinc/44/78/03/640447803.db2.gz BKZUSCOPZCPWPQ-SNVBAGLBSA-N 0 1 230.308 1.543 20 5 BDBDMN O=[N+]([O-])CCN1CCC(F)(C2CC2)CC1 ZINC000932629164 640591447 /nfs/dbraw/zinc/59/14/47/640591447.db2.gz QAWBPMZEZPNLSM-UHFFFAOYSA-N 0 1 216.256 1.477 20 5 BDBDMN CCCN(CCC)Cn1cc([N+](=O)[O-])cn1 ZINC000075581673 641761927 /nfs/dbraw/zinc/76/19/27/641761927.db2.gz GWUQWLYHGZYFLY-UHFFFAOYSA-N 0 1 226.280 1.871 20 5 BDBDMN Cc1nc(C)c(Cn2cc([N+](=O)[O-])ccc2=O)[nH]1 ZINC000915567044 641838585 /nfs/dbraw/zinc/83/85/85/641838585.db2.gz HJBLQJRMCBJGLM-UHFFFAOYSA-N 0 1 248.242 1.145 20 5 BDBDMN C[C@H]1C[C@@H]1COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000920335204 642476390 /nfs/dbraw/zinc/47/63/90/642476390.db2.gz LECKZTCAUSWPCE-NKWVEPMBSA-N 0 1 224.216 1.736 20 5 BDBDMN C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])CC(F)F ZINC000843629593 645298017 /nfs/dbraw/zinc/29/80/17/645298017.db2.gz FHYTYFNCUAIRMK-FSDSQADBSA-N 0 1 236.218 1.059 20 5 BDBDMN CO[C@@]1(C)C[C@@H](N(C)CC[N+](=O)[O-])C1(C)C ZINC000929758203 646291940 /nfs/dbraw/zinc/29/19/40/646291940.db2.gz XPHCEIRBPYKZPS-KOLCDFICSA-N 0 1 230.308 1.399 20 5 BDBDMN Cc1ccc(CNCc2cn[nH]c2)cc1[N+](=O)[O-] ZINC000038006257 712798760 /nfs/dbraw/zinc/79/87/60/712798760.db2.gz IILPSNQPWMOGFR-UHFFFAOYSA-N 0 1 246.270 1.916 20 5 BDBDMN CO[C@H]1CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1F ZINC001169006414 969330421 /nfs/dbraw/zinc/33/04/21/969330421.db2.gz HZWFFJUTNIFJHC-VLEAKVRGSA-N 0 1 246.282 1.101 20 5 BDBDMN Cc1nc(OC(C)C)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229375269 976850838 /nfs/dbraw/zinc/85/08/38/976850838.db2.gz ABWDJQDACDCHCQ-UHFFFAOYSA-N 0 1 213.193 1.186 20 5 BDBDMN O=[N+]([O-])c1ccc(O)cc1OC[C@H]1C[C@@H](O)C1 ZINC001218430726 971809457 /nfs/dbraw/zinc/80/94/57/971809457.db2.gz ZKVYFMZKHNIATB-OTSSQURYSA-N 0 1 239.227 1.450 20 5 BDBDMN Cc1cc([N+](=O)[O-])cnc1N1CCN2CC[C@H]2C1 ZINC001158426328 963869333 /nfs/dbraw/zinc/86/93/33/963869333.db2.gz YEJNDHRNXPIMLP-JTQLQIEISA-N 0 1 248.286 1.193 20 5 BDBDMN C[C@@H]1COC[C@H]1NCc1csc([N+](=O)[O-])c1 ZINC000699765297 966078423 /nfs/dbraw/zinc/07/84/23/966078423.db2.gz YIRRAHXZHFZGDG-VXNVDRBHSA-N 0 1 242.300 1.781 20 5 BDBDMN O=C([O-])C1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000071173663 967557254 /nfs/dbraw/zinc/55/72/54/967557254.db2.gz DHGCDPPDQZTSEF-UHFFFAOYSA-N 0 1 236.227 1.111 20 5 BDBDMN Cc1coc(CN[C@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168965131 969319165 /nfs/dbraw/zinc/31/91/65/969319165.db2.gz YGLYFIPQBWVZLT-ZJUUUORDSA-N 0 1 239.275 1.518 20 5 BDBDMN O=C1SCC[C@@H]1N[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168968750 969321508 /nfs/dbraw/zinc/32/15/08/969321508.db2.gz AEVCAGPIEYCRMF-YIZRAAEISA-N 0 1 244.316 1.054 20 5 BDBDMN CCOC1CN([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169013058 969336647 /nfs/dbraw/zinc/33/66/47/969336647.db2.gz TVWXHKOCWPRHPS-UWVGGRQHSA-N 0 1 228.292 1.153 20 5 BDBDMN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCn3cccc3C2)C1 ZINC001169024347 969364014 /nfs/dbraw/zinc/36/40/14/969364014.db2.gz GMXMGZHUYHMCJO-NWDGAFQWSA-N 0 1 249.314 1.749 20 5 BDBDMN O=[N+]([O-])c1ccc(O)cc1O[C@@H]1CCCOC1 ZINC001225488588 974524484 /nfs/dbraw/zinc/52/44/84/974524484.db2.gz IMKVPQRBAXTZGH-SECBINFHSA-N 0 1 239.227 1.858 20 5 BDBDMN O=[N+]([O-])c1ncccc1O[C@@H]1CN2CCC1CC2 ZINC001225629596 974605430 /nfs/dbraw/zinc/60/54/30/974605430.db2.gz QHOIPTIVNZMCGG-LLVKDONJSA-N 0 1 249.270 1.463 20 5 BDBDMN Cc1nc(OC2CC=CC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229376413 976852329 /nfs/dbraw/zinc/85/23/29/976852329.db2.gz UZNXEULZIJUNGY-UHFFFAOYSA-N 0 1 237.215 1.496 20 5 BDBDMN Cc1cc(O)c([N+](=O)[O-])c(OC2CCC2)n1 ZINC001231259283 977541177 /nfs/dbraw/zinc/54/11/77/977541177.db2.gz IYPQRWGBPOVIKN-UHFFFAOYSA-N 0 1 224.216 1.935 20 5 BDBDMN O=[N+]([O-])CCN1CCCC[C@H]1[C@@H]1CCCO1 ZINC001176927328 978249746 /nfs/dbraw/zinc/24/97/46/978249746.db2.gz QWCJKAUPVIVDBR-QWRGUYRKSA-N 0 1 228.292 1.297 20 5 BDBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C1(C)CC1 ZINC001602976423 979353082 /nfs/dbraw/zinc/35/30/82/979353082.db2.gz YIKQWDCHBQCKCY-LURJTMIESA-N 0 1 238.247 1.236 20 5 BDBDMN O=C(OC[C@H]1CC12CCC2)[C@@H]1CC1[N+](=O)[O-] ZINC001348869356 981466217 /nfs/dbraw/zinc/46/62/17/981466217.db2.gz WEJUIAVMPAXCEU-IWSPIJDZSA-N 0 1 225.244 1.385 20 5 BDBDMN C[C@H](COc1ccccc1F)NCC[N+](=O)[O-] ZINC001356101235 983575439 /nfs/dbraw/zinc/57/54/39/983575439.db2.gz SNGWFZIDKBHFGZ-SECBINFHSA-N 0 1 242.250 1.459 20 5 BDBDMN CO[C@@H]1CCCC[C@@H]1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001517047839 989198523 /nfs/dbraw/zinc/19/85/23/989198523.db2.gz ZFHDOWRECAJCPO-KYXWUPHJSA-N 0 1 243.259 1.152 20 5 BDBDMN CCC(C)(CC)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000137067648 168311718 /nfs/dbraw/zinc/31/17/18/168311718.db2.gz RXHMRTBJGMOJGG-UHFFFAOYSA-N 0 1 240.263 1.626 20 5 BDBDMN Cc1cc([N+](=O)[O-])cnc1N(C)Cc1nnc[nH]1 ZINC000267932288 178274379 /nfs/dbraw/zinc/27/43/79/178274379.db2.gz WDAFTSJCACEFSF-UHFFFAOYSA-N 0 1 248.246 1.053 20 5 BDBDMN C[C@@H](Nc1sccc1[N+](=O)[O-])c1nnc[nH]1 ZINC000309419694 347059706 /nfs/dbraw/zinc/05/97/06/347059706.db2.gz AGCUKBXGPCKZPA-RXMQYKEDSA-N 0 1 239.260 1.948 20 5 BDBDMN CO[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000145884873 345945188 /nfs/dbraw/zinc/94/51/88/345945188.db2.gz YNWGNARPAAFMFW-LBPRGKRZSA-N 0 1 236.271 1.816 20 5 BDBDMN Cc1nc(NCCc2nc[nH]n2)ccc1[N+](=O)[O-] ZINC000127321314 180019409 /nfs/dbraw/zinc/01/94/09/180019409.db2.gz IFONNBOWMFRWNJ-UHFFFAOYSA-N 0 1 248.246 1.071 20 5 BDBDMN Cc1nnc([C@@H](C)n2cc([N+](=O)[O-])c(C)n2)[nH]1 ZINC000413004842 191337642 /nfs/dbraw/zinc/33/76/42/191337642.db2.gz UNPCNWFSXIOFBW-ZCFIWIBFSA-N 0 1 236.235 1.136 20 5 BDBDMN C[C@@H](NC/C=C/c1ccccc1[N+](=O)[O-])C(N)=O ZINC000237389167 355877954 /nfs/dbraw/zinc/87/79/54/355877954.db2.gz ILTWANFDHYESHT-OTQAPUNGSA-N 0 1 249.270 1.071 20 5 BDBDMN O=[N+]([O-])c1ccc(Cl)c(CNCCCO)c1 ZINC000035368219 357196013 /nfs/dbraw/zinc/19/60/13/357196013.db2.gz CLSNFWROKINMLK-UHFFFAOYSA-N 0 1 244.678 1.720 20 5 BDBDMN C[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])C1CC1 ZINC000611202173 359110981 /nfs/dbraw/zinc/11/09/81/359110981.db2.gz JBUUCGTVWNSREP-ZCFIWIBFSA-N 0 1 238.247 1.094 20 5 BDBDMN O=[N+]([O-])c1cc(CNC[C@@H]2CCCO2)cs1 ZINC000037472327 364052630 /nfs/dbraw/zinc/05/26/30/364052630.db2.gz XYACERYLVIUFFV-VIFPVBQESA-N 0 1 242.300 1.925 20 5 BDBDMN C[C@@H]1CCCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602427767 371803510 /nfs/dbraw/zinc/80/35/10/371803510.db2.gz APSOCBOQSGCHQU-SECBINFHSA-N 0 1 238.291 1.560 20 5 BDBDMN CN(Cc1cn(C)nc1[N+](=O)[O-])CC(C)(C)C ZINC000602446789 371804851 /nfs/dbraw/zinc/80/48/51/371804851.db2.gz BBKASHSLFFVQCB-UHFFFAOYSA-N 0 1 240.307 1.806 20 5 BDBDMN O=[N+]([O-])c1ccc2oc(CNC3CC3)nc2c1 ZINC000602501327 371815042 /nfs/dbraw/zinc/81/50/42/371815042.db2.gz FYBJLWIQQFUXTB-UHFFFAOYSA-N 0 1 233.227 1.988 20 5 BDBDMN CC[C@@H]1C[C@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000452761111 205790663 /nfs/dbraw/zinc/79/06/63/205790663.db2.gz BUEDNBZXWXECOF-RQJHMYQMSA-N 0 1 238.247 1.094 20 5 BDBDMN O=[N+]([O-])c1ccc(O)cc1Cn1ccnc1 ZINC000339019735 383886217 /nfs/dbraw/zinc/88/62/17/383886217.db2.gz AHIPWQHRLNJNSB-UHFFFAOYSA-N 0 1 219.200 1.545 20 5 BDBDMN Cc1nc([C@@H](C)Nc2ncccc2[N+](=O)[O-])n[nH]1 ZINC000286661169 384014516 /nfs/dbraw/zinc/01/45/16/384014516.db2.gz XAZKONPPMNFSAL-ZCFIWIBFSA-N 0 1 248.246 1.589 20 5 BDBDMN C[C@@]1(O)CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000178015840 384194751 /nfs/dbraw/zinc/19/47/51/384194751.db2.gz RSSCOLPPUFMHMZ-GFCCVEGCSA-N 0 1 236.271 1.552 20 5 BDBDMN C[N@H+](CCC(=O)[O-])Cc1csc([N+](=O)[O-])c1 ZINC000083410184 384301183 /nfs/dbraw/zinc/30/11/83/384301183.db2.gz JGPQBKDPOZGMQG-UHFFFAOYSA-N 0 1 244.272 1.563 20 5 BDBDMN C[N@@H+](CCC(=O)[O-])Cc1csc([N+](=O)[O-])c1 ZINC000083410184 384301190 /nfs/dbraw/zinc/30/11/90/384301190.db2.gz JGPQBKDPOZGMQG-UHFFFAOYSA-N 0 1 244.272 1.563 20 5 BDBDMN CCN(CCCO)Cc1ccccc1[N+](=O)[O-] ZINC000045914563 384414570 /nfs/dbraw/zinc/41/45/70/384414570.db2.gz HVZJIMKYEWJYCV-UHFFFAOYSA-N 0 1 238.287 1.799 20 5 BDBDMN C[C@H](N[C@H]1CCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000179063543 384381444 /nfs/dbraw/zinc/38/14/44/384381444.db2.gz BCXBRRYCZCYUSW-KWQFWETISA-N 0 1 249.270 1.134 20 5 BDBDMN COC[C@@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000037472322 384504590 /nfs/dbraw/zinc/50/45/90/384504590.db2.gz KDTVNKAXCMORCJ-SSDOTTSWSA-N 0 1 230.289 1.781 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1C1CCC1 ZINC000361575274 385087032 /nfs/dbraw/zinc/08/70/32/385087032.db2.gz IFZPVDXXVHIAOQ-MXWKQRLJSA-N 0 1 238.287 1.443 20 5 BDBDMN O=[N+]([O-])c1ccc(O)cc1CSCCCO ZINC000413014997 386261639 /nfs/dbraw/zinc/26/16/39/386261639.db2.gz JROSSFKOAOOWRN-UHFFFAOYSA-N 0 1 243.284 1.916 20 5 BDBDMN O=[N+]([O-])c1cccc(CN2CC[C@@H](CO)C2)c1 ZINC000051887085 386561286 /nfs/dbraw/zinc/56/12/86/386561286.db2.gz LTSLBQXPDWBBQV-LLVKDONJSA-N 0 1 236.271 1.409 20 5 BDBDMN CCN(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269390535 386787270 /nfs/dbraw/zinc/78/72/70/386787270.db2.gz RDUPPXFYLVYAJG-UHFFFAOYSA-N 0 1 240.263 1.533 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC2)CC1 ZINC000369768456 387591531 /nfs/dbraw/zinc/59/15/31/387591531.db2.gz WWDQKQLGVWCNEV-RKDXNWHRSA-N 0 1 224.260 1.054 20 5 BDBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CC2CCC1CC2 ZINC000371388895 387867479 /nfs/dbraw/zinc/86/74/79/387867479.db2.gz PGOALHOBVDWMEP-HORUIINNSA-N 0 1 224.260 1.053 20 5 BDBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC12CCCCC2 ZINC000373005291 388085823 /nfs/dbraw/zinc/08/58/23/388085823.db2.gz DZKHBLRJVTYZPK-VHSXEESVSA-N 0 1 238.287 1.587 20 5 BDBDMN C[C@@H]1[C@H](O)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000590661434 388128478 /nfs/dbraw/zinc/12/84/78/388128478.db2.gz MZYUUENDDGGTCN-BXKDBHETSA-N 0 1 236.271 1.550 20 5 BDBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CC2(C1)CCCC2 ZINC000372370291 388258460 /nfs/dbraw/zinc/25/84/60/388258460.db2.gz XRFKKMAHTKIDCU-IUCAKERBSA-N 0 1 224.260 1.054 20 5 BDBDMN CN(Cc1ccc([N+](=O)[O-])cc1)C1(CO)CC1 ZINC000353025890 388366508 /nfs/dbraw/zinc/36/65/08/388366508.db2.gz JIHGNAXQEJBRMG-UHFFFAOYSA-N 0 1 236.271 1.552 20 5 BDBDMN CC(C)CON=c1ccc([N+](=O)[O-])c[nH]1 ZINC000271078537 388372529 /nfs/dbraw/zinc/37/25/29/388372529.db2.gz XQTQXCAZWUKDSQ-UHFFFAOYSA-N 0 1 211.221 1.989 20 5 BDBDMN C[C@@]1(O)C[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000418120591 388674963 /nfs/dbraw/zinc/67/49/63/388674963.db2.gz VYEIRNZVIPDXDN-WAAGHKOSSA-N 0 1 242.300 1.659 20 5 BDBDMN Cc1ccnc(NCCc2nc[nH]n2)c1[N+](=O)[O-] ZINC000080590475 388712301 /nfs/dbraw/zinc/71/23/01/388712301.db2.gz MCUQCGUUIYUVTQ-UHFFFAOYSA-N 0 1 248.246 1.071 20 5 BDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC1 ZINC000331964677 388782140 /nfs/dbraw/zinc/78/21/40/388782140.db2.gz MGMVRUVSGNLAIB-UHFFFAOYSA-N 0 1 222.200 1.146 20 5 BDBDMN CN(Cc1c[nH]nn1)Cc1ccccc1[N+](=O)[O-] ZINC000284433683 388827261 /nfs/dbraw/zinc/82/72/61/388827261.db2.gz YSYIEMVKMOLDAW-UHFFFAOYSA-N 0 1 247.258 1.345 20 5 BDBDMN C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1nnc[nH]1 ZINC000219650636 134288934 /nfs/dbraw/zinc/28/89/34/134288934.db2.gz GMIKHUMRZXSTDS-LURJTMIESA-N 0 1 234.219 1.281 20 5 BDBDMN CN1CC[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000042375198 173156679 /nfs/dbraw/zinc/15/66/79/173156679.db2.gz QODMPSNCFDSKJO-QMMMGPOBSA-N 0 1 222.248 1.106 20 5 BDBDMN COCCN(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774484 174280957 /nfs/dbraw/zinc/28/09/57/174280957.db2.gz JLWLUQPXNNSYAQ-UHFFFAOYSA-N 0 1 242.250 1.812 20 5 BDBDMN COc1ccc([N+](=O)[O-])cc1CNC[C@H](C)O ZINC000035115127 175201277 /nfs/dbraw/zinc/20/12/77/175201277.db2.gz QYMCULBNYJBZLO-QMMMGPOBSA-N 0 1 240.259 1.074 20 5 BDBDMN C[C@@H]1CC2(CCC2)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000365322111 176057454 /nfs/dbraw/zinc/05/74/54/176057454.db2.gz QTWYUXMDWSDCOW-OPRDCNLKSA-N 0 1 238.287 1.443 20 5 BDBDMN C[C@@H]1CC2(CCC2)CN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000365322110 176057606 /nfs/dbraw/zinc/05/76/06/176057606.db2.gz QTWYUXMDWSDCOW-KXUCPTDWSA-N 0 1 238.287 1.443 20 5 BDBDMN C[C@@H]1CN(C)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000353603118 176267516 /nfs/dbraw/zinc/26/75/16/176267516.db2.gz FVQJOGPLCPHRER-LLVKDONJSA-N 0 1 249.314 1.731 20 5 BDBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000266547842 177042821 /nfs/dbraw/zinc/04/28/21/177042821.db2.gz SIDSGPUHGLAOAT-LLVKDONJSA-N 0 1 249.314 1.903 20 5 BDBDMN C[N@H+]1CC[C@@H]1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000895771213 583724787 /nfs/dbraw/zinc/72/47/87/583724787.db2.gz VILDCQAYMDFVTR-SECBINFHSA-N 0 1 236.275 1.293 20 5 BDBDMN CN1CC[C@@H]1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000895771213 583724788 /nfs/dbraw/zinc/72/47/88/583724788.db2.gz VILDCQAYMDFVTR-SECBINFHSA-N 0 1 236.275 1.293 20 5 BDBDMN Cc1cccc(CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839509958 585106199 /nfs/dbraw/zinc/10/61/99/585106199.db2.gz VDHRWSDLIOZTDN-VXGBXAGGSA-N 0 1 248.282 1.619 20 5 BDBDMN O=[N+]([O-])c1ncccc1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000886313059 585121772 /nfs/dbraw/zinc/12/17/72/585121772.db2.gz RJHODTDYTPVKPB-PHIMTYICSA-N 0 1 249.270 1.068 20 5 BDBDMN O=[N+]([O-])c1ncccc1CN1C[C@@H]2COC[C@@H]2C1 ZINC000886313059 585121773 /nfs/dbraw/zinc/12/17/73/585121773.db2.gz RJHODTDYTPVKPB-PHIMTYICSA-N 0 1 249.270 1.068 20 5 BDBDMN CC[C@@H](C)[C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839576256 585330467 /nfs/dbraw/zinc/33/04/67/585330467.db2.gz ZVHSLCWYTKMGNN-FNCVBFRFSA-N 0 1 214.265 1.202 20 5 BDBDMN CC[C@@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839640293 585334966 /nfs/dbraw/zinc/33/49/66/585334966.db2.gz JFXGSOIXEDQPEC-IWSPIJDZSA-N 0 1 212.249 1.053 20 5 BDBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H](C)S1 ZINC000839690497 585335368 /nfs/dbraw/zinc/33/53/68/585335368.db2.gz GTOJYAKRJVVUOF-BZNPZCIMSA-N 0 1 244.316 1.004 20 5 BDBDMN C[C@H](CCC(C)(C)C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839686475 585335380 /nfs/dbraw/zinc/33/53/80/585335380.db2.gz PQGAKOJZSJGKBQ-OPRDCNLKSA-N 0 1 242.319 1.983 20 5 BDBDMN CC[C@@H]1C[C@@H](C)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839695943 585335539 /nfs/dbraw/zinc/33/55/39/585335539.db2.gz NERQLJLCNPIJJU-ZYUZMQFOSA-N 0 1 226.276 1.299 20 5 BDBDMN CS[C@H]1CC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839693874 585335599 /nfs/dbraw/zinc/33/55/99/585335599.db2.gz XAAGXPOMXRJJRX-BZNPZCIMSA-N 0 1 244.316 1.052 20 5 BDBDMN CCc1ccccc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839693521 585335629 /nfs/dbraw/zinc/33/56/29/585335629.db2.gz PZOJRALTWUQSJL-VXGBXAGGSA-N 0 1 248.282 1.530 20 5 BDBDMN CC[C@H](C)CN(CC)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839697756 585335669 /nfs/dbraw/zinc/33/56/69/585335669.db2.gz HLZPPNSZJAKYTL-IVZWLZJFSA-N 0 1 228.292 1.546 20 5 BDBDMN C[C@@H]1CC[C@H](C)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839695112 585335797 /nfs/dbraw/zinc/33/57/97/585335797.db2.gz YTEDPKHYELQKGZ-SGIHWFKDSA-N 0 1 226.276 1.299 20 5 BDBDMN CC(C)[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839701733 585335906 /nfs/dbraw/zinc/33/59/06/585335906.db2.gz SGTYBBPPHILNAL-OPRDCNLKSA-N 0 1 226.276 1.156 20 5 BDBDMN C[C@@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H](C)C1 ZINC000839681478 585337248 /nfs/dbraw/zinc/33/72/48/585337248.db2.gz QOJFMWAJENMSCY-NZHYYXIDSA-N 0 1 240.303 1.593 20 5 BDBDMN Cc1cccc(C)c1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839705527 585337738 /nfs/dbraw/zinc/33/77/38/585337738.db2.gz KRLPWIBYRGSBLA-ZYHUDNBSSA-N 0 1 248.282 1.585 20 5 BDBDMN CC1(C)CC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839718582 585338379 /nfs/dbraw/zinc/33/83/79/585338379.db2.gz URGIXICGXNVTGV-IWSPIJDZSA-N 0 1 226.276 1.347 20 5 BDBDMN CC(C)CSCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839715689 585338400 /nfs/dbraw/zinc/33/84/00/585338400.db2.gz SYBMRPPIAFWSSA-RKDXNWHRSA-N 0 1 246.332 1.157 20 5 BDBDMN CC1(C)CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839718579 585338514 /nfs/dbraw/zinc/33/85/14/585338514.db2.gz URGIXICGXNVTGV-DJLDLDEBSA-N 0 1 226.276 1.347 20 5 BDBDMN CC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCC1 ZINC000839789410 585342340 /nfs/dbraw/zinc/34/23/40/585342340.db2.gz VZFLWBYBUIPKRA-OUAUKWLOSA-N 0 1 240.303 1.737 20 5 BDBDMN CCC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCC1 ZINC000839798103 585487434 /nfs/dbraw/zinc/48/74/34/585487434.db2.gz NBGWFLDDACIZRP-GMTAPVOTSA-N 0 1 240.303 1.737 20 5 BDBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1c[nH]nn1 ZINC000789932226 585954303 /nfs/dbraw/zinc/95/43/03/585954303.db2.gz UTAWCTFQSKPXCA-UHFFFAOYSA-N 0 1 247.214 1.274 20 5 BDBDMN O=C(Oc1ccccc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000840246177 586570185 /nfs/dbraw/zinc/57/01/85/586570185.db2.gz IPPGTUXVZOZMBR-HTRCEHHLSA-N 0 1 241.630 1.911 20 5 BDBDMN O=C(Oc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000840246518 586570404 /nfs/dbraw/zinc/57/04/04/586570404.db2.gz NNGXJGOSLFNJEA-RKDXNWHRSA-N 0 1 207.185 1.257 20 5 BDBDMN C[C@H]1CCC[C@H](C)N1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840322318 586622187 /nfs/dbraw/zinc/62/21/87/586622187.db2.gz WEBJLQDWIHKFQH-AXTSPUMRSA-N 0 1 226.276 1.441 20 5 BDBDMN CC(C)(C)[C@@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840322839 586622444 /nfs/dbraw/zinc/62/24/44/586622444.db2.gz AAMLLDCRLAZCFM-BBBLOLIVSA-N 0 1 240.303 1.689 20 5 BDBDMN O=C(NC[C@@H]1C[C@H]1C1CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000819605856 586980750 /nfs/dbraw/zinc/98/07/50/586980750.db2.gz CCXLRZKQGWASHE-UKKRHICBSA-N 0 1 238.287 1.204 20 5 BDBDMN Cc1cccc(F)c1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840411196 587098947 /nfs/dbraw/zinc/09/89/47/587098947.db2.gz FLPGESSNCWGXJH-VXNVDRBHSA-N 0 1 238.218 1.738 20 5 BDBDMN C[C@@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CCS1 ZINC000834639329 587762322 /nfs/dbraw/zinc/76/23/22/587762322.db2.gz XVYRJKUTRDVQRJ-FNCVBFRFSA-N 0 1 244.316 1.052 20 5 BDBDMN O=C(OCCc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000840671204 587915632 /nfs/dbraw/zinc/91/56/32/587915632.db2.gz PJOHWLRMOIUCLA-GHMZBOCLSA-N 0 1 235.239 1.438 20 5 BDBDMN CC(=O)CCCCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840674091 587916232 /nfs/dbraw/zinc/91/62/32/587916232.db2.gz GSJLPNDUFRRQPG-NXEZZACHSA-N 0 1 243.259 1.344 20 5 BDBDMN CCOC1CC(COC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000840673611 587916303 /nfs/dbraw/zinc/91/63/03/587916303.db2.gz VKLIMSIKXPNQRM-YDYPAMBWSA-N 0 1 243.259 1.010 20 5 BDBDMN O=C(O[C@H]1CCc2cccnc21)[C@@H]1CC1[N+](=O)[O-] ZINC000841197924 587949016 /nfs/dbraw/zinc/94/90/16/587949016.db2.gz YCQQKSBQKROILV-BBBLOLIVSA-N 0 1 248.238 1.277 20 5 BDBDMN Cc1ccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])cc1F ZINC000841205924 587949409 /nfs/dbraw/zinc/94/94/09/587949409.db2.gz FNPMVAFYILSPMJ-PSASIEDQSA-N 0 1 239.202 1.705 20 5 BDBDMN CC1(COC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC000842326082 588017899 /nfs/dbraw/zinc/01/78/99/588017899.db2.gz YGFQVYQBEBUSAT-RKDXNWHRSA-N 0 1 227.260 1.775 20 5 BDBDMN O=C(OCC12CCC(CC1)C2)[C@@H]1CC1[N+](=O)[O-] ZINC000842353782 588021042 /nfs/dbraw/zinc/02/10/42/588021042.db2.gz SCBIMVARKMYITQ-WDHPUFTPSA-N 0 1 239.271 1.775 20 5 BDBDMN O=C(OC[C@H]1CCCSC1)[C@@H]1CC1[N+](=O)[O-] ZINC000842360801 588021067 /nfs/dbraw/zinc/02/10/67/588021067.db2.gz KEQHEKKQQHUEBX-IWSPIJDZSA-N 0 1 245.300 1.338 20 5 BDBDMN CC[C@@H](C)[C@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])OC ZINC000842370348 588022254 /nfs/dbraw/zinc/02/22/54/588022254.db2.gz SEXGMLMYTJTVOO-KYXWUPHJSA-N 0 1 245.275 1.256 20 5 BDBDMN C[C@]1(COC(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H]2C[C@H]2C1 ZINC000842373778 588022665 /nfs/dbraw/zinc/02/26/65/588022665.db2.gz FFCBGGUIDQFPSR-KNDBQHFLSA-N 0 1 239.271 1.631 20 5 BDBDMN CO[C@@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCC1 ZINC000849806901 588501772 /nfs/dbraw/zinc/50/17/72/588501772.db2.gz LBHZKVHXQRUPCG-BBBLOLIVSA-N 0 1 243.259 1.010 20 5 BDBDMN O=C(OCC=C(Cl)Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000849808121 588501990 /nfs/dbraw/zinc/50/19/90/588501990.db2.gz ZPLQHKLYIDKGMC-RFZPGFLSSA-N 0 1 240.042 1.514 20 5 BDBDMN CCc1[nH]nc(C(=O)N2CC[C@H]2C)c1[N+](=O)[O-] ZINC000881480371 591208914 /nfs/dbraw/zinc/20/89/14/591208914.db2.gz SELCKRVTVWJBHZ-ZCFIWIBFSA-N 0 1 238.247 1.115 20 5 BDBDMN C[C@H]1CCCN1Cc1cccnc1[N+](=O)[O-] ZINC000886027979 592135875 /nfs/dbraw/zinc/13/58/75/592135875.db2.gz KVBZXNSIYOXPBM-VIFPVBQESA-N 0 1 221.260 1.974 20 5 BDBDMN Cc1ccc(C[N@@H+](C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC000714013766 598116522 /nfs/dbraw/zinc/11/65/22/598116522.db2.gz QDNUKHJHOBJMSS-UHFFFAOYSA-N 0 1 238.243 1.420 20 5 BDBDMN CCCCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000108691700 636138707 /nfs/dbraw/zinc/13/87/07/636138707.db2.gz QRAKSSVNOHTXGG-UHFFFAOYSA-N 0 1 212.205 1.880 20 5 BDBDMN C[C@H]1SCCN(CC[N+](=O)[O-])[C@H]1C ZINC000306333061 636818711 /nfs/dbraw/zinc/81/87/11/636818711.db2.gz DSOPXRXUMFGEIN-JGVFFNPUSA-N 0 1 204.295 1.089 20 5 BDBDMN CCOc1cccc(CNCC[N+](=O)[O-])c1 ZINC000905045969 637564149 /nfs/dbraw/zinc/56/41/49/637564149.db2.gz OBXLXZBJHIGZKE-UHFFFAOYSA-N 0 1 224.260 1.452 20 5 BDBDMN O=[N+]([O-])CCN[C@@H]1CCc2ccc(F)cc21 ZINC000905093663 637631137 /nfs/dbraw/zinc/63/11/37/637631137.db2.gz AFAFTOURMQZXKP-LLVKDONJSA-N 0 1 224.235 1.679 20 5 BDBDMN Cc1ccc(O[C@@H](C)CNCC[N+](=O)[O-])cc1 ZINC000905140554 637649953 /nfs/dbraw/zinc/64/99/53/637649953.db2.gz WMULRUXRIFGYRN-NSHDSACASA-N 0 1 238.287 1.629 20 5 BDBDMN COC[C@@H](Cc1ccccc1)NCC[N+](=O)[O-] ZINC000905144080 637650604 /nfs/dbraw/zinc/65/06/04/637650604.db2.gz DHSHNOVLWGJELX-GFCCVEGCSA-N 0 1 238.287 1.110 20 5 BDBDMN O=[N+]([O-])CCNCCOc1ccccc1Cl ZINC000905178694 637662019 /nfs/dbraw/zinc/66/20/19/637662019.db2.gz CBMVYAUPYWZQTR-UHFFFAOYSA-N 0 1 244.678 1.585 20 5 BDBDMN O=[N+]([O-])CCN1CC[C@H](c2cccnc2)C1 ZINC000930813615 639916747 /nfs/dbraw/zinc/91/67/47/639916747.db2.gz AQVUHWIJWKLAOJ-NSHDSACASA-N 0 1 221.260 1.148 20 5 BDBDMN CC(C)O[C@@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000930850837 639944215 /nfs/dbraw/zinc/94/42/15/639944215.db2.gz WOSRYXROGILKOR-SNVBAGLBSA-N 0 1 216.281 1.153 20 5 BDBDMN Cc1nc(CNc2cc(C)ccc2[N+](=O)[O-])n[nH]1 ZINC000088722590 641382892 /nfs/dbraw/zinc/38/28/92/641382892.db2.gz TYYFTMKKMRXCCA-UHFFFAOYSA-N 0 1 247.258 1.942 20 5 BDBDMN Cc1nc(C)c(Cn2cnc([N+](=O)[O-])c2)[nH]1 ZINC000916557940 641946894 /nfs/dbraw/zinc/94/68/94/641946894.db2.gz CXTWGDBVSCTSNH-UHFFFAOYSA-N 0 1 221.220 1.180 20 5 BDBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000815079216 644951206 /nfs/dbraw/zinc/95/12/06/644951206.db2.gz NNLYMBMGNRFCDY-PELKAZGASA-N 0 1 234.255 1.895 20 5 BDBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000815079216 644951209 /nfs/dbraw/zinc/95/12/09/644951209.db2.gz NNLYMBMGNRFCDY-PELKAZGASA-N 0 1 234.255 1.895 20 5 BDBDMN O=[N+]([O-])CCN1CC[C@@H](c2ccco2)C1 ZINC000929617824 646199754 /nfs/dbraw/zinc/19/97/54/646199754.db2.gz KXTFIRJEZMFWHS-SECBINFHSA-N 0 1 210.233 1.346 20 5 BDBDMN CN1CC[C@@H]1CNc1cccnc1[N+](=O)[O-] ZINC000712593774 712435651 /nfs/dbraw/zinc/43/56/51/712435651.db2.gz ILLIOGFLRRPZDH-MRVPVSSYSA-N 0 1 222.248 1.106 20 5 BDBDMN CC(C)(CCC(=O)OCCN1CCC1)[N+](=O)[O-] ZINC000861391797 711790752 /nfs/dbraw/zinc/79/07/52/711790752.db2.gz YMFJOGDQKGPTOX-UHFFFAOYSA-N 0 1 244.291 1.071 20 5 BDBDMN O=[N+]([O-])c1cc(Nc2cc[nH+]cc2)ccc1[O-] ZINC001210392647 957743799 /nfs/dbraw/zinc/74/37/99/957743799.db2.gz JSMMSVHNONGION-UHFFFAOYSA-N 0 1 231.211 1.861 20 5 BDBDMN Cn1cncc1Nc1ccc([N+](=O)[O-])nc1 ZINC001203566802 966695287 /nfs/dbraw/zinc/69/52/87/966695287.db2.gz QLJZEUIGXAEMTA-UHFFFAOYSA-N 0 1 219.204 1.467 20 5 BDBDMN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCN(C)C2)n1 ZINC000162607286 966841766 /nfs/dbraw/zinc/84/17/66/966841766.db2.gz NVUMPTVJBXVWME-VIFPVBQESA-N 0 1 236.275 1.414 20 5 BDBDMN O=[N+]([O-])C[C@@H]1CC[C@@H](NCc2ccon2)C1 ZINC001168956323 969304394 /nfs/dbraw/zinc/30/43/94/969304394.db2.gz AWUOQQPTBUZVIP-RKDXNWHRSA-N 0 1 225.248 1.210 20 5 BDBDMN C[C@@H]1CC(=O)CCN1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169014409 969340935 /nfs/dbraw/zinc/34/09/35/969340935.db2.gz ZKNAVUONWRUHHP-VWYCJHECSA-N 0 1 240.303 1.485 20 5 BDBDMN Cc1cnc(CN)n1-c1cccc(C)c1[N+](=O)[O-] ZINC001169029838 969348957 /nfs/dbraw/zinc/34/89/57/969348957.db2.gz ZWLXBWDCVMOEPD-UHFFFAOYSA-N 0 1 246.270 1.856 20 5 BDBDMN CCCOC1CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169021907 969361896 /nfs/dbraw/zinc/36/18/96/969361896.db2.gz BAGKUBYBKXRXDQ-WDEREUQCSA-N 0 1 242.319 1.543 20 5 BDBDMN O=[N+]([O-])c1nc[nH]c1-c1nnc(C2CCC2)o1 ZINC001255226573 970008159 /nfs/dbraw/zinc/00/81/59/970008159.db2.gz XESGWJZTIMWCLE-UHFFFAOYSA-N 0 1 235.203 1.635 20 5 BDBDMN Nc1cncn1-c1ccc(/C=C/[N+](=O)[O-])cc1 ZINC001175900656 977813322 /nfs/dbraw/zinc/81/33/22/977813322.db2.gz CKVJKQNETOSQCN-AATRIKPKSA-N 0 1 230.227 1.702 20 5 BDBDMN O=[N+]([O-])c1cc(O[C@H]2CN3CCC2CC3)ccn1 ZINC001233858684 978714863 /nfs/dbraw/zinc/71/48/63/978714863.db2.gz ZBGFPLWCNGPCKK-NSHDSACASA-N 0 1 249.270 1.463 20 5 BDBDMN O=[N+]([O-])[C@@H]1C[C@H]1c1nnc(Cc2cccnc2)o1 ZINC001346661546 980877960 /nfs/dbraw/zinc/87/79/60/980877960.db2.gz CIWJIOMQWHLPRW-RKDXNWHRSA-N 0 1 246.226 1.188 20 5 BDBDMN Cc1ccc(C2CCN(CC[N+](=O)[O-])CC2)cn1 ZINC001351271208 982260313 /nfs/dbraw/zinc/26/03/13/982260313.db2.gz CBANMHMBDPECGB-UHFFFAOYSA-N 0 1 249.314 1.846 20 5 BDBDMN CC[C@@H](C)c1nnc([C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001118427615 988343628 /nfs/dbraw/zinc/34/36/28/988343628.db2.gz LTTMQNVTXBPUEM-FSDSQADBSA-N 0 1 211.221 1.716 20 5 BDBDMN O=[N+]([O-])CCNCc1ccnc2ccccc12 ZINC001120473182 989662800 /nfs/dbraw/zinc/66/28/00/989662800.db2.gz ZBEIJKPOWOKNSB-UHFFFAOYSA-N 0 1 231.255 1.601 20 5 BDBDMN Cc1cc([N+](=O)[O-])cnc1NCc1nnc[nH]1 ZINC000052812437 178274638 /nfs/dbraw/zinc/27/46/38/178274638.db2.gz UPVQOZULCSXBJV-UHFFFAOYSA-N 0 1 234.219 1.028 20 5 BDBDMN CCC1(NC(=O)c2n[nH]cc2[N+](=O)[O-])CCC1 ZINC000298555533 398283025 /nfs/dbraw/zinc/28/30/25/398283025.db2.gz ZKDKOZAZVITQSX-UHFFFAOYSA-N 0 1 238.247 1.380 20 5 BDBDMN CCN(Cc1ccccc1[N+](=O)[O-])[C@H](C)CO ZINC000339627915 344673294 /nfs/dbraw/zinc/67/32/94/344673294.db2.gz DIZOOFCFXFLXGI-SNVBAGLBSA-N 0 1 238.287 1.798 20 5 BDBDMN CN(Cc1cc(O)ccc1[N+](=O)[O-])CC(F)F ZINC000092508808 345626575 /nfs/dbraw/zinc/62/65/75/345626575.db2.gz YZWBHFSUPKNDNA-UHFFFAOYSA-N 0 1 246.213 1.997 20 5 BDBDMN C[C@@H](CCO)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000593110388 347861178 /nfs/dbraw/zinc/86/11/78/347861178.db2.gz WKMOHKOKENEYNY-JTQLQIEISA-N 0 1 238.287 1.798 20 5 BDBDMN O=[N+]([O-])c1cc(CN[C@@H](CO)CCF)cs1 ZINC000593689238 347927413 /nfs/dbraw/zinc/92/74/13/347927413.db2.gz MCWXZWQDRHZYMM-MRVPVSSYSA-N 0 1 248.279 1.466 20 5 BDBDMN O=[N+]([O-])c1ccccc1CN[C@@H](CO)CCF ZINC000593689259 347927599 /nfs/dbraw/zinc/92/75/99/347927599.db2.gz MXOWPIUXNBWEHD-SNVBAGLBSA-N 0 1 242.250 1.405 20 5 BDBDMN Cc1cnc(NCc2nnc[nH]2)c([N+](=O)[O-])c1 ZINC000090692056 363562530 /nfs/dbraw/zinc/56/25/30/363562530.db2.gz QCRYCQNZASMURT-UHFFFAOYSA-N 0 1 234.219 1.028 20 5 BDBDMN CCO[C@@H]1C[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000583182640 357511135 /nfs/dbraw/zinc/51/11/35/357511135.db2.gz HVLJWHHDSMSZKA-VXGBXAGGSA-N 0 1 236.271 1.862 20 5 BDBDMN CCC[C@H](C)N(C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602440628 371804934 /nfs/dbraw/zinc/80/49/34/371804934.db2.gz QPUGUUSGDXKUJC-VIFPVBQESA-N 0 1 240.307 1.949 20 5 BDBDMN CC(C)[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC000602763497 371838811 /nfs/dbraw/zinc/83/88/11/371838811.db2.gz PCMZYDJCMGFZLC-UHFFFAOYSA-N 0 1 238.291 1.701 20 5 BDBDMN CC(C)N(Cc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC000602763497 371838816 /nfs/dbraw/zinc/83/88/16/371838816.db2.gz PCMZYDJCMGFZLC-UHFFFAOYSA-N 0 1 238.291 1.701 20 5 BDBDMN CCC(C)(C)N(C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602791166 371840784 /nfs/dbraw/zinc/84/07/84/371840784.db2.gz SKTOPGSPQIGMKJ-UHFFFAOYSA-N 0 1 240.307 1.949 20 5 BDBDMN CC[N@H+](CCO)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338997095 383883837 /nfs/dbraw/zinc/88/38/37/383883837.db2.gz RYMXNGLWWPNYKX-UHFFFAOYSA-N 0 1 240.259 1.115 20 5 BDBDMN CC[N@@H+](CCO)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338997095 383883844 /nfs/dbraw/zinc/88/38/44/383883844.db2.gz RYMXNGLWWPNYKX-UHFFFAOYSA-N 0 1 240.259 1.115 20 5 BDBDMN CC(C)c1[nH]nc(C(=O)N2CCC2)c1[N+](=O)[O-] ZINC000269350293 384115851 /nfs/dbraw/zinc/11/58/51/384115851.db2.gz GISSJTAJLCAXRB-UHFFFAOYSA-N 0 1 238.247 1.287 20 5 BDBDMN O=[N+]([O-])c1ccc(NCCN2CCC2)cc1 ZINC000336666501 384249471 /nfs/dbraw/zinc/24/94/71/384249471.db2.gz FPXDTNPVFLPBKB-UHFFFAOYSA-N 0 1 221.260 1.712 20 5 BDBDMN CC(C)(C)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000179605210 384975056 /nfs/dbraw/zinc/97/50/56/384975056.db2.gz FYSDLMRGIRBNFQ-UHFFFAOYSA-N 0 1 226.236 1.094 20 5 BDBDMN CCC=CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000452610195 385304442 /nfs/dbraw/zinc/30/44/42/385304442.db2.gz DTOVXHYIDBTVFJ-ARJAWSKDSA-N 0 1 224.220 1.014 20 5 BDBDMN C[C@H](c1ccccc1[N+](=O)[O-])N(C)C[C@H](C)O ZINC000291281003 385852875 /nfs/dbraw/zinc/85/28/75/385852875.db2.gz QJVVSQQEGOJOJA-VHSXEESVSA-N 0 1 238.287 1.968 20 5 BDBDMN Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000294276548 385978187 /nfs/dbraw/zinc/97/81/87/385978187.db2.gz UFHIYYYIRYNZOE-IYSWYEEDSA-N 0 1 238.247 1.107 20 5 BDBDMN Cc1ccc(CN2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000271109714 388373529 /nfs/dbraw/zinc/37/35/29/388373529.db2.gz SZIDRJLCDDEDRD-NSHDSACASA-N 0 1 236.271 1.470 20 5 BDBDMN C[C@H]1OCC[C@H]1NCc1csc([N+](=O)[O-])c1 ZINC000134241293 388397670 /nfs/dbraw/zinc/39/76/70/388397670.db2.gz MRDXIQJZRCPOFT-VXNVDRBHSA-N 0 1 242.300 1.923 20 5 BDBDMN Cc1cnc(NCCc2nc[nH]n2)c([N+](=O)[O-])c1 ZINC000090692426 388470460 /nfs/dbraw/zinc/47/04/60/388470460.db2.gz PQBNGWCESHNWPR-UHFFFAOYSA-N 0 1 248.246 1.071 20 5 BDBDMN O=[N+]([O-])c1ccccc1CCNCc1cocn1 ZINC000277001127 388744165 /nfs/dbraw/zinc/74/41/65/388744165.db2.gz JWZZSRYXRRHUFA-UHFFFAOYSA-N 0 1 247.254 1.915 20 5 BDBDMN O=[N+]([O-])c1ccc(O)cc1CN1CC[C@H](F)C1 ZINC000449391968 388749739 /nfs/dbraw/zinc/74/97/39/388749739.db2.gz ZWKBSIMKHMBTEP-VIFPVBQESA-N 0 1 240.234 1.844 20 5 BDBDMN O=C(N[C@@H]1CC12CC2)c1cc(O)cc([N+](=O)[O-])c1 ZINC000424963905 388699088 /nfs/dbraw/zinc/69/90/88/388699088.db2.gz FOUJSXFZTOHSER-SNVBAGLBSA-N 0 1 248.238 1.583 20 5 BDBDMN O=[N+]([O-])c1ccccc1CN1C[C@@H](O)C2(CC2)C1 ZINC000372301481 388702917 /nfs/dbraw/zinc/70/29/17/388702917.db2.gz NMWSXNYQNLBUJM-GFCCVEGCSA-N 0 1 248.282 1.552 20 5 BDBDMN O=[N+]([O-])c1ccc(CN2C[C@H](O)C3(CC3)C2)cc1 ZINC000375307501 388718583 /nfs/dbraw/zinc/71/85/83/388718583.db2.gz GXWIBQYOEGGDPC-LBPRGKRZSA-N 0 1 248.282 1.552 20 5 BDBDMN Cn1nccc1CNCc1ccc([N+](=O)[O-])cc1 ZINC000037502764 388887146 /nfs/dbraw/zinc/88/71/46/388887146.db2.gz MPDONNFXLRHECK-UHFFFAOYSA-N 0 1 246.270 1.618 20 5 BDBDMN O=[N+]([O-])c1cccc(CNC[C@H](O)C(F)F)c1 ZINC000226577818 134367023 /nfs/dbraw/zinc/36/70/23/134367023.db2.gz PVMWLVDHUYTSBO-VIFPVBQESA-N 0 1 246.213 1.310 20 5 BDBDMN C[C@@H]1c2cccn2CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000251225257 135069064 /nfs/dbraw/zinc/06/90/64/135069064.db2.gz OKJJPQOGNSHUIF-FXPVBKGRSA-N 0 1 249.270 1.057 20 5 BDBDMN C[C@H]1C[C@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272585998 177384550 /nfs/dbraw/zinc/38/45/50/177384550.db2.gz UWKRHOLDWVVHIN-QUBYGPBYSA-N 0 1 236.227 1.439 20 5 BDBDMN Cc1[nH]ncc1CN(C)c1ncccc1[N+](=O)[O-] ZINC000594873877 487852516 /nfs/dbraw/zinc/85/25/16/487852516.db2.gz PAOYCBNLWMISMI-UHFFFAOYSA-N 0 1 247.258 1.658 20 5 BDBDMN CC[C@H](C(=O)OC[C@@H](C)[N+](=O)[O-])N(CC)CC ZINC000813115117 582592077 /nfs/dbraw/zinc/59/20/77/582592077.db2.gz KURSRBWXOFGJMP-NXEZZACHSA-N 0 1 246.307 1.315 20 5 BDBDMN CC[C@H](C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000855390124 588830815 /nfs/dbraw/zinc/83/08/15/588830815.db2.gz MAHJOIJWYCDXPA-DJLDLDEBSA-N 0 1 214.265 1.204 20 5 BDBDMN CC(C)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000856123570 588861162 /nfs/dbraw/zinc/86/11/62/588861162.db2.gz YEGHXHKDHBQJPL-OPRDCNLKSA-N 0 1 226.276 1.202 20 5 BDBDMN CC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000856245577 588865260 /nfs/dbraw/zinc/86/52/60/588865260.db2.gz MMOHTRIWWCTQAY-OXKBGPBOSA-N 0 1 238.287 1.441 20 5 BDBDMN C[C@@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])C(F)(F)F ZINC000840670864 583405090 /nfs/dbraw/zinc/40/50/90/583405090.db2.gz LNLNNHRUBIEOMI-KVQBGUIXSA-N 0 1 241.165 1.393 20 5 BDBDMN C[C@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])C(F)(F)F ZINC000840670863 583405448 /nfs/dbraw/zinc/40/54/48/583405448.db2.gz LNLNNHRUBIEOMI-HSUXUTPPSA-N 0 1 241.165 1.393 20 5 BDBDMN O=C(OCCC(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000840672687 583419173 /nfs/dbraw/zinc/41/91/73/583419173.db2.gz OIRWNRIAWPEIBX-RFZPGFLSSA-N 0 1 227.138 1.147 20 5 BDBDMN C[C@@H]1CC=CC[C@H]1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841004004 584003437 /nfs/dbraw/zinc/00/34/37/584003437.db2.gz JUBOTWFRHNOMAJ-LMLFDSFASA-N 0 1 239.271 1.797 20 5 BDBDMN CC(C)c1cncc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000888236692 584120517 /nfs/dbraw/zinc/12/05/17/584120517.db2.gz BVEQWAUMBDFAAJ-GHMZBOCLSA-N 0 1 249.270 1.809 20 5 BDBDMN Cc1ccc(OCCNCC[N+](=O)[O-])cc1 ZINC000899860296 584242759 /nfs/dbraw/zinc/24/27/59/584242759.db2.gz QLJVTTLPFMRMII-UHFFFAOYSA-N 0 1 224.260 1.240 20 5 BDBDMN O=[N+]([O-])c1ccccc1/C=C\CN[C@@H]1CNOC1 ZINC000904421495 584881836 /nfs/dbraw/zinc/88/18/36/584881836.db2.gz HBGLUAOMZWXCQY-USEMIUTHSA-N 0 1 249.270 1.101 20 5 BDBDMN C[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839454087 585104582 /nfs/dbraw/zinc/10/45/82/585104582.db2.gz DKNUSXROMOEPFW-YUSALJHKSA-N 0 1 248.282 1.572 20 5 BDBDMN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839463427 585105551 /nfs/dbraw/zinc/10/55/51/585105551.db2.gz QLBFRQNKJODDHI-DOLQZWNJSA-N 0 1 226.276 1.347 20 5 BDBDMN C[C@@H](c1ccncc1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839547682 585330196 /nfs/dbraw/zinc/33/01/96/585330196.db2.gz JBVSIIJMJRWFPP-JMJZKYOTSA-N 0 1 249.270 1.266 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1Cc2ccccc2C1 ZINC000839663606 585334808 /nfs/dbraw/zinc/33/48/08/585334808.db2.gz UHNYGKOMZCFBOH-GHMZBOCLSA-N 0 1 232.239 1.194 20 5 BDBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCCC1 ZINC000839689744 585335324 /nfs/dbraw/zinc/33/53/24/585335324.db2.gz RTCURJIGYNXPGX-FBIMIBRVSA-N 0 1 240.303 1.737 20 5 BDBDMN CC[C@H]1CCC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839690635 585335414 /nfs/dbraw/zinc/33/54/14/585335414.db2.gz FAOIJZRISRPHLF-UKKRHICBSA-N 0 1 240.303 1.737 20 5 BDBDMN C[C@H]1CC[C@H](C)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839695111 585335608 /nfs/dbraw/zinc/33/56/08/585335608.db2.gz YTEDPKHYELQKGZ-AXTSPUMRSA-N 0 1 226.276 1.299 20 5 BDBDMN CC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC000839699814 585335959 /nfs/dbraw/zinc/33/59/59/585335959.db2.gz BEBUOFJSOMOWOF-NXEZZACHSA-N 0 1 240.303 1.738 20 5 BDBDMN C[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)(C)C ZINC000839682583 585337025 /nfs/dbraw/zinc/33/70/25/585337025.db2.gz FQWBDUFOBSBTCQ-IWSPIJDZSA-N 0 1 228.292 1.450 20 5 BDBDMN C[C@@H]1CC[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839748473 585340373 /nfs/dbraw/zinc/34/03/73/585340373.db2.gz SKMDPTMKCFMVHG-ZYUZMQFOSA-N 0 1 226.276 1.204 20 5 BDBDMN CCC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)(C)C ZINC000839783265 585342123 /nfs/dbraw/zinc/34/21/23/585342123.db2.gz PXXLTGYTWCIUNX-BBBLOLIVSA-N 0 1 242.319 1.983 20 5 BDBDMN CCO[C@@H]1C[C@H](N(C)CC[N+](=O)[O-])C1(C)C ZINC000798197735 586140355 /nfs/dbraw/zinc/14/03/55/586140355.db2.gz UMNACTBUKNWHLW-VHSXEESVSA-N 0 1 230.308 1.399 20 5 BDBDMN CCO[C@@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000859721021 589056854 /nfs/dbraw/zinc/05/68/54/589056854.db2.gz YPWHFTAGKXJTCM-BBBLOLIVSA-N 0 1 243.259 1.010 20 5 BDBDMN O=C(OCC1=CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000840674284 587916199 /nfs/dbraw/zinc/91/61/99/587916199.db2.gz JVVJGFPALIJGQL-NXEZZACHSA-N 0 1 225.244 1.695 20 5 BDBDMN CCC(C)(C)C(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840674907 587916425 /nfs/dbraw/zinc/91/64/25/587916425.db2.gz RUVNVPOZAGUAPI-HTQZYQBOSA-N 0 1 243.259 1.200 20 5 BDBDMN O=C(O[C@@H]1COc2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000841156442 587947843 /nfs/dbraw/zinc/94/78/43/587947843.db2.gz MVICWUYVCYFVGS-FXPVBKGRSA-N 0 1 249.222 1.329 20 5 BDBDMN O=C(OCCOCC1CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000842105041 588000331 /nfs/dbraw/zinc/00/03/31/588000331.db2.gz ZGNJYWXCHARKMA-NXEZZACHSA-N 0 1 243.259 1.012 20 5 BDBDMN CC(C)[C@@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842321191 588017388 /nfs/dbraw/zinc/01/73/88/588017388.db2.gz LMXXOWLDMPGQFL-BWZBUEFSSA-N 0 1 201.222 1.239 20 5 BDBDMN CC1(COC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC000842336570 588019261 /nfs/dbraw/zinc/01/92/61/588019261.db2.gz JMQLJGKSLHIMOW-RKDXNWHRSA-N 0 1 243.259 1.012 20 5 BDBDMN O=C(OC1(c2ccccc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000842342248 588019636 /nfs/dbraw/zinc/01/96/36/588019636.db2.gz ZXULOBLDOXUNRA-GHMZBOCLSA-N 0 1 247.250 1.884 20 5 BDBDMN CCC/C=C/COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842363721 588021374 /nfs/dbraw/zinc/02/13/74/588021374.db2.gz BLFHQXKXBIDDTH-HOMPQPGZSA-N 0 1 213.233 1.551 20 5 BDBDMN CN(CCC(C)(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000843683976 588132558 /nfs/dbraw/zinc/13/25/58/588132558.db2.gz PQXKHNUGJSOSAE-RKDXNWHRSA-N 0 1 228.292 1.546 20 5 BDBDMN O=C(OC[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000845770242 588244446 /nfs/dbraw/zinc/24/44/46/588244446.db2.gz SNRSVEDEPCRTOY-KAMPLNKDSA-N 0 1 239.271 1.631 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC12CCCC2 ZINC000846306519 588264395 /nfs/dbraw/zinc/26/43/95/588264395.db2.gz VTYDCYAIKXDYLT-RKDXNWHRSA-N 0 1 224.260 1.197 20 5 BDBDMN C[C@@H]1CC(F)(F)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000863009728 589251559 /nfs/dbraw/zinc/25/15/59/589251559.db2.gz IWNHFNNSCIBNBG-BWZBUEFSSA-N 0 1 248.229 1.298 20 5 BDBDMN Cc1ccc(CN2C[C@@H]3C[C@]3(O)C2)cc1[N+](=O)[O-] ZINC000880420569 591028444 /nfs/dbraw/zinc/02/84/44/591028444.db2.gz JPNKDCQRCLYXFS-AAEUAGOBSA-N 0 1 248.282 1.470 20 5 BDBDMN CC(C)(C)[C@H]1CSCCN1CC[N+](=O)[O-] ZINC000931591573 634607350 /nfs/dbraw/zinc/60/73/50/634607350.db2.gz CMSXMDDHXKVMIL-SECBINFHSA-N 0 1 232.349 1.727 20 5 BDBDMN CC1(C)CC[C@H](COC(=O)[C@@H]2CC2[N+](=O)[O-])O1 ZINC000840672931 635846831 /nfs/dbraw/zinc/84/68/31/635846831.db2.gz GMSMQUOHDBNDCN-IWSPIJDZSA-N 0 1 243.259 1.152 20 5 BDBDMN O=[N+]([O-])CCNCc1cccc2cccnc21 ZINC000905070309 637601950 /nfs/dbraw/zinc/60/19/50/637601950.db2.gz JMEUIHHBQADRGP-UHFFFAOYSA-N 0 1 231.255 1.601 20 5 BDBDMN C[C@@H](CNCC[N+](=O)[O-])Oc1ccccc1 ZINC000905116252 637620359 /nfs/dbraw/zinc/62/03/59/637620359.db2.gz BQQYFGKBRNWLLL-JTQLQIEISA-N 0 1 224.260 1.320 20 5 BDBDMN O=[N+]([O-])CCNCCOCc1ccccc1 ZINC000905145972 637654443 /nfs/dbraw/zinc/65/44/43/637654443.db2.gz KXTIXYHFGGLHDG-UHFFFAOYSA-N 0 1 224.260 1.070 20 5 BDBDMN Cc1cc(CNCC[N+](=O)[O-])cc(C)n1 ZINC000905290305 637741540 /nfs/dbraw/zinc/74/15/40/637741540.db2.gz VGFJVQJGWQKLEE-UHFFFAOYSA-N 0 1 209.249 1.065 20 5 BDBDMN O=[N+]([O-])CCNC[C@H](O)c1ccccc1Cl ZINC000905340912 637782668 /nfs/dbraw/zinc/78/26/68/637782668.db2.gz JTDJYJKVRHLLQV-JTQLQIEISA-N 0 1 244.678 1.240 20 5 BDBDMN C[C@@H](Cc1cccc(F)c1)N(C)CC[N+](=O)[O-] ZINC000930702127 639868161 /nfs/dbraw/zinc/86/81/61/639868161.db2.gz JYISCSNCCDZHJG-JTQLQIEISA-N 0 1 240.278 1.965 20 5 BDBDMN C[C@H](CN(C)CC[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000930705264 639871583 /nfs/dbraw/zinc/87/15/83/639871583.db2.gz HKYZOVRUCDAFGF-SECBINFHSA-N 0 1 246.307 1.173 20 5 BDBDMN O=[N+]([O-])CCN1CC[C@@H](c2cccnc2)C1 ZINC000930813614 639916078 /nfs/dbraw/zinc/91/60/78/639916078.db2.gz AQVUHWIJWKLAOJ-LLVKDONJSA-N 0 1 221.260 1.148 20 5 BDBDMN O=[N+]([O-])CCN1CCC(C2CCC2)CC1 ZINC000930963044 640001573 /nfs/dbraw/zinc/00/15/73/640001573.db2.gz RKVINAUPVCQAPH-UHFFFAOYSA-N 0 1 212.293 1.775 20 5 BDBDMN O=[N+]([O-])CCN1CCC(CCF)CC1 ZINC000931463040 640223029 /nfs/dbraw/zinc/22/30/29/640223029.db2.gz APEMEDQYNREYEK-UHFFFAOYSA-N 0 1 204.245 1.335 20 5 BDBDMN CC[C@@H](CO)NCc1c(F)cccc1[N+](=O)[O-] ZINC000931767429 640359082 /nfs/dbraw/zinc/35/90/82/640359082.db2.gz QJVJLYHEKDOMFF-QMMMGPOBSA-N 0 1 242.250 1.594 20 5 BDBDMN CS[C@H](C)CCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842370276 641263986 /nfs/dbraw/zinc/26/39/86/641263986.db2.gz ROUHOWRJUMECES-BWZBUEFSSA-N 0 1 233.289 1.336 20 5 BDBDMN Cc1cn[nH]c1Cn1cc([N+](=O)[O-])c(C)cc1=O ZINC000917221237 642033266 /nfs/dbraw/zinc/03/32/66/642033266.db2.gz MYKZQXALCIDZGT-UHFFFAOYSA-N 0 1 248.242 1.145 20 5 BDBDMN C[C@@H]1C[C@@H]1COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000920335205 642479672 /nfs/dbraw/zinc/47/96/72/642479672.db2.gz LECKZTCAUSWPCE-RNFRBKRXSA-N 0 1 224.216 1.736 20 5 BDBDMN CC(C)[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839730355 644631137 /nfs/dbraw/zinc/63/11/37/644631137.db2.gz DVDXAQRBMMSBAB-GMTAPVOTSA-N 0 1 240.303 1.546 20 5 BDBDMN O=C(NC[C@]12C[C@H]1CCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000927421101 645609495 /nfs/dbraw/zinc/60/94/95/645609495.db2.gz AQUPFYHZTILOPZ-BFLSOPEQSA-N 0 1 238.287 1.348 20 5 BDBDMN CC(C)CCOC1CCN(CC[N+](=O)[O-])CC1 ZINC000929278646 646057261 /nfs/dbraw/zinc/05/72/61/646057261.db2.gz KBGDYRZOFLRIHN-UHFFFAOYSA-N 0 1 244.335 1.790 20 5 BDBDMN CO[C@]1(C)C[C@H](N(C)CC[N+](=O)[O-])C1(C)C ZINC000929758202 646290512 /nfs/dbraw/zinc/29/05/12/646290512.db2.gz XPHCEIRBPYKZPS-GXSJLCMTSA-N 0 1 230.308 1.399 20 5 BDBDMN O=[N+]([O-])CCN1CCC(OCC2CC2)CC1 ZINC000929758368 646291017 /nfs/dbraw/zinc/29/10/17/646291017.db2.gz JBRBNJYROXEVAD-UHFFFAOYSA-N 0 1 228.292 1.154 20 5 BDBDMN O=[N+]([O-])CCN1CCS[C@H]2CCCC[C@H]21 ZINC000791053538 712421805 /nfs/dbraw/zinc/42/18/05/712421805.db2.gz TWOOJHMOLGDKMI-ZJUUUORDSA-N 0 1 230.333 1.623 20 5 BDBDMN O=C(OCCc1ccsc1)[C@@H]1CC1[N+](=O)[O-] ZINC000840670589 711767032 /nfs/dbraw/zinc/76/70/32/711767032.db2.gz IQJLALYPZUIQGV-RKDXNWHRSA-N 0 1 241.268 1.499 20 5 BDBDMN CN(CC[N+](=O)[O-])Cc1cc(C(C)(C)C)[nH]n1 ZINC001351412859 982314907 /nfs/dbraw/zinc/31/49/07/982314907.db2.gz YWVZBBWRHHUTAG-UHFFFAOYSA-N 0 1 240.307 1.416 20 5 BDBDMN O=[N+]([O-])c1cccnc1N[C@@H]1CN2CCC1CC2 ZINC000020565798 970870200 /nfs/dbraw/zinc/87/02/00/970870200.db2.gz BWCWQHHNGCGAPE-SNVBAGLBSA-N 0 1 248.286 1.496 20 5 BDBDMN O=[N+]([O-])c1ccc(Nc2ccno2)cn1 ZINC001203566708 966696550 /nfs/dbraw/zinc/69/65/50/966696550.db2.gz NKMMSTYKFQAECS-UHFFFAOYSA-N 0 1 206.161 1.721 20 5 BDBDMN CN1CC(CNc2cnc(F)c([N+](=O)[O-])c2)C1 ZINC001170256068 970641189 /nfs/dbraw/zinc/64/11/89/970641189.db2.gz BGEGLGDCGSHTFC-UHFFFAOYSA-N 0 1 240.238 1.102 20 5 BDBDMN C[C@@H](OCc1nn[nH]n1)c1ccccc1[N+](=O)[O-] ZINC001223028102 972810158 /nfs/dbraw/zinc/81/01/58/972810158.db2.gz XGHFURKFHWNLMW-SSDOTTSWSA-N 0 1 249.230 1.386 20 5 BDBDMN Cc1cc(O[C@@H]2CC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC001225657889 974628941 /nfs/dbraw/zinc/62/89/41/974628941.db2.gz SRHZTGQTCWODDL-SECBINFHSA-N 0 1 237.259 1.381 20 5 BDBDMN O=[N+]([O-])CCNC1(c2ccccc2)CC1 ZINC001332700795 975262381 /nfs/dbraw/zinc/26/23/81/975262381.db2.gz PYCYPYQEZXYGMQ-UHFFFAOYSA-N 0 1 206.245 1.542 20 5 BDBDMN O=[N+]([O-])CCN[C@@H](c1cccnc1)C1CC1 ZINC001332835383 975290966 /nfs/dbraw/zinc/29/09/66/975290966.db2.gz LPSQCDDVDYKZIU-LLVKDONJSA-N 0 1 221.260 1.399 20 5 BDBDMN O=[N+]([O-])C[C@@H](Oc1ccc2[nH]nnc2c1)C1CC1 ZINC001228663918 976421411 /nfs/dbraw/zinc/42/14/11/976421411.db2.gz ILQSJLFDAFDIRQ-LLVKDONJSA-N 0 1 248.242 1.392 20 5 BDBDMN O=[N+]([O-])CCNCc1cccc(N2CC=CC2)c1 ZINC001336710907 977875705 /nfs/dbraw/zinc/87/57/05/977875705.db2.gz SRHLJYVPYFOYDW-UHFFFAOYSA-N 0 1 247.298 1.429 20 5 BDBDMN COc1ccc(Nc2nnco2)cc1[N+](=O)[O-] ZINC001176360083 978051226 /nfs/dbraw/zinc/05/12/26/978051226.db2.gz SDCGJZONXWVTGX-UHFFFAOYSA-N 0 1 236.187 1.730 20 5 BDBDMN O=C(NCC1CCC=CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000886013530 984182919 /nfs/dbraw/zinc/18/29/19/984182919.db2.gz JIYNUKFLFJGDLF-GHMZBOCLSA-N 0 1 238.287 1.514 20 5 BDBDMN O=[N+]([O-])[C@@H]1C[C@H]1c1nnc(CC(F)(F)F)o1 ZINC001326987055 989800834 /nfs/dbraw/zinc/80/08/34/989800834.db2.gz GOOCHHMLGMJTEX-QWWZWVQMSA-N 0 1 237.137 1.307 20 5 BDBDMN CC[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1C ZINC001539120812 990557815 /nfs/dbraw/zinc/55/78/15/990557815.db2.gz KFUVUAYQKTZWTM-SGIHWFKDSA-N 0 1 226.276 1.299 20 5 BDBDMN CC(C)(C)[C@H]1CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001262667166 993010085 /nfs/dbraw/zinc/01/00/85/993010085.db2.gz MWAKPJAOMWGZIU-IWSPIJDZSA-N 0 1 226.276 1.299 20 5 BDBDMN C[C@]1(O)CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000178012083 398166971 /nfs/dbraw/zinc/16/69/71/398166971.db2.gz OOHAUYGNBXGLRX-LBPRGKRZSA-N 0 1 236.271 1.552 20 5 BDBDMN Cc1cc(N(C)Cc2nnc[nH]2)ncc1[N+](=O)[O-] ZINC000267828453 178100517 /nfs/dbraw/zinc/10/05/17/178100517.db2.gz ZUPDSZNVFKJQPR-UHFFFAOYSA-N 0 1 248.246 1.053 20 5 BDBDMN C[C@@H]1CCCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602466147 349538660 /nfs/dbraw/zinc/53/86/60/349538660.db2.gz AFTPKUVZWUJCAH-MRVPVSSYSA-N 0 1 224.264 1.313 20 5 BDBDMN C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1nnc[nH]1 ZINC000226500288 398339913 /nfs/dbraw/zinc/33/99/13/398339913.db2.gz OSYQHHSEMZMXCK-SSDOTTSWSA-N 0 1 233.231 1.886 20 5 BDBDMN Cc1cc(NCc2nnc[nH]2)ncc1[N+](=O)[O-] ZINC000092026813 346611060 /nfs/dbraw/zinc/61/10/60/346611060.db2.gz KVVAQBGDANYAOI-UHFFFAOYSA-N 0 1 234.219 1.028 20 5 BDBDMN Cc1cccc(NCCc2nc[nH]n2)c1[N+](=O)[O-] ZINC000218868362 179147199 /nfs/dbraw/zinc/14/71/99/179147199.db2.gz MWLNSTKDZIQHQR-UHFFFAOYSA-N 0 1 247.258 1.676 20 5 BDBDMN O=[N+]([O-])c1ccccc1CNC/C=C/CO ZINC000594975810 348163462 /nfs/dbraw/zinc/16/34/62/348163462.db2.gz UYHCBLYKRQCVEA-ONEGZZNKSA-N 0 1 222.244 1.233 20 5 BDBDMN CC[C@@H](C)CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000597979435 348859793 /nfs/dbraw/zinc/85/97/93/348859793.db2.gz VUAJCTOZPJCVBQ-SSDOTTSWSA-N 0 1 240.263 1.484 20 5 BDBDMN CCN(Cc1ccccc1[N+](=O)[O-])[C@@H](C)CO ZINC000293292524 351013767 /nfs/dbraw/zinc/01/37/67/351013767.db2.gz DIZOOFCFXFLXGI-JTQLQIEISA-N 0 1 238.287 1.798 20 5 BDBDMN O=C(NCC1CC=CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000600224682 371654478 /nfs/dbraw/zinc/65/44/78/371654478.db2.gz PUQVCRVTBYENPA-UHFFFAOYSA-N 0 1 236.231 1.014 20 5 BDBDMN C[C@@H]1C[C@H](C)CN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602473415 371809559 /nfs/dbraw/zinc/80/95/59/371809559.db2.gz QWFINZBFSMRSRS-DTWKUNHWSA-N 0 1 238.291 1.559 20 5 BDBDMN CCN(Cc1cn(C)nc1[N+](=O)[O-])CC1CC1 ZINC000602470627 371810443 /nfs/dbraw/zinc/81/04/43/371810443.db2.gz ASKXPYTYGBILCV-UHFFFAOYSA-N 0 1 238.291 1.560 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CCCC[C@H]21 ZINC000365809173 182627043 /nfs/dbraw/zinc/62/70/43/182627043.db2.gz XINCJSSHLMCUMN-KYXWUPHJSA-N 0 1 224.260 1.053 20 5 BDBDMN CCO[C@@H]1C[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000572823836 384170576 /nfs/dbraw/zinc/17/05/76/384170576.db2.gz ZVYDHRROFSCLBG-CMPLNLGQSA-N 0 1 236.271 1.862 20 5 BDBDMN Cc1ccc(CNCCF)cc1[N+](=O)[O-] ZINC000336698546 384254386 /nfs/dbraw/zinc/25/43/86/384254386.db2.gz OOCPDRBBRWUMKR-UHFFFAOYSA-N 0 1 212.224 1.962 20 5 BDBDMN C[C@H](O)CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000158668000 384275644 /nfs/dbraw/zinc/27/56/44/384275644.db2.gz RCKZUUGITVQSFD-JTQLQIEISA-N 0 1 238.287 1.798 20 5 BDBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC2(CCCC2)C1 ZINC000365638443 386242407 /nfs/dbraw/zinc/24/24/07/386242407.db2.gz SCMQJDKHCAIWFZ-VHSXEESVSA-N 0 1 238.287 1.444 20 5 BDBDMN CC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(C)C ZINC000270676519 388363671 /nfs/dbraw/zinc/36/36/71/388363671.db2.gz RHBBWFMNYFXBJH-ZETCQYMHSA-N 0 1 240.263 1.482 20 5 BDBDMN CC(C)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272536013 388450641 /nfs/dbraw/zinc/45/06/41/388450641.db2.gz JBYGLJRBGPJSFP-UHFFFAOYSA-N 0 1 238.243 1.781 20 5 BDBDMN CCN(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000298276266 388579417 /nfs/dbraw/zinc/57/94/17/388579417.db2.gz HDOUJOXMIMRPDM-UHFFFAOYSA-N 0 1 248.242 1.563 20 5 BDBDMN O=[N+]([O-])c1ccc(O)cc1CN1CC[C@@H](F)C1 ZINC000449391967 388749806 /nfs/dbraw/zinc/74/98/06/388749806.db2.gz ZWKBSIMKHMBTEP-SECBINFHSA-N 0 1 240.234 1.844 20 5 BDBDMN Cc1ccc(NCc2nnc[nH]2)c([N+](=O)[O-])c1 ZINC000037920161 397951506 /nfs/dbraw/zinc/95/15/06/397951506.db2.gz BEQSWHMJIQGLET-UHFFFAOYSA-N 0 1 233.231 1.633 20 5 BDBDMN CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000045284655 170105644 /nfs/dbraw/zinc/10/56/44/170105644.db2.gz HNJRKBWNJCRJBK-UHFFFAOYSA-N 0 1 234.215 1.221 20 5 BDBDMN C[C@@H]1C[C@@H](O)CN1Cc1ccccc1[N+](=O)[O-] ZINC000340946942 176383443 /nfs/dbraw/zinc/38/34/43/176383443.db2.gz CQRPPWSOXVPCGZ-MWLCHTKSSA-N 0 1 236.271 1.550 20 5 BDBDMN C[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CCN1 ZINC000088059103 177228391 /nfs/dbraw/zinc/22/83/91/177228391.db2.gz BAXIFVICKXFZGI-VIFPVBQESA-N 0 1 249.270 1.029 20 5 BDBDMN C[C@H]1C[C@@H](O)CN1Cc1ccccc1[N+](=O)[O-] ZINC000340946939 177337378 /nfs/dbraw/zinc/33/73/78/177337378.db2.gz CQRPPWSOXVPCGZ-GXSJLCMTSA-N 0 1 236.271 1.550 20 5 BDBDMN CC(C)C(C)(C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840316108 586619268 /nfs/dbraw/zinc/61/92/68/586619268.db2.gz QEDMQEDVIVHQMY-HTQZYQBOSA-N 0 1 214.265 1.202 20 5 BDBDMN CN1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000076409651 325344155 /nfs/dbraw/zinc/34/41/55/325344155.db2.gz AXJGCKASOUFIMD-UHFFFAOYSA-N 0 1 249.314 1.385 20 5 BDBDMN C[C@@]1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1(F)F ZINC000855802641 588849135 /nfs/dbraw/zinc/84/91/35/588849135.db2.gz ACZTYOHWMJBPAA-ZXFLCMHBSA-N 0 1 248.229 1.203 20 5 BDBDMN CC[C@@](C)(NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000855875979 588852403 /nfs/dbraw/zinc/85/24/03/588852403.db2.gz RLDVHRRLGWPBFO-FXPVBKGRSA-N 0 1 226.276 1.347 20 5 BDBDMN CCSC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000856069507 588859338 /nfs/dbraw/zinc/85/93/38/588859338.db2.gz RLAGBKQFAMFRFL-HTQZYQBOSA-N 0 1 244.316 1.054 20 5 BDBDMN O=C(OCC1CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000840669904 583378972 /nfs/dbraw/zinc/37/89/72/583378972.db2.gz NFJIVFAMTHUVIJ-RKDXNWHRSA-N 0 1 213.233 1.385 20 5 BDBDMN O=C(OC[C@@H]1CCCC1(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000840674340 583427761 /nfs/dbraw/zinc/42/77/61/583427761.db2.gz LTVUSDAQKUTFGI-XLPZGREQSA-N 0 1 249.213 1.630 20 5 BDBDMN CN1CC[C@@H]1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000895769349 583724080 /nfs/dbraw/zinc/72/40/80/583724080.db2.gz CAYWRUCNKAMXCB-SECBINFHSA-N 0 1 236.275 1.293 20 5 BDBDMN CCCOc1ccc(CNCC[N+](=O)[O-])cc1 ZINC000899872170 584245366 /nfs/dbraw/zinc/24/53/66/584245366.db2.gz WUQWZGLRZWSQTB-UHFFFAOYSA-N 0 1 238.287 1.842 20 5 BDBDMN C[C@H]1OCC[C@@H]1OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000771050829 584995925 /nfs/dbraw/zinc/99/59/25/584995925.db2.gz GSSXWVRWKMJVLG-SVRRBLITSA-N 0 1 240.215 1.257 20 5 BDBDMN CCCC[C@H](CC)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839495539 585105427 /nfs/dbraw/zinc/10/54/27/585105427.db2.gz IPUUIVCQSVVDMS-HBNTYKKESA-N 0 1 242.319 1.984 20 5 BDBDMN C[C@H]1CCC[C@H](N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839511821 585106227 /nfs/dbraw/zinc/10/62/27/585106227.db2.gz DKAYLQIZKKFVMJ-UKKRHICBSA-N 0 1 240.303 1.689 20 5 BDBDMN O=C(N[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839576871 585330522 /nfs/dbraw/zinc/33/05/22/585330522.db2.gz QHHBGUBKBVGUOZ-IRCOFANPSA-N 0 1 246.266 1.324 20 5 BDBDMN C[C@@H]1SCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1C ZINC000839685318 585334868 /nfs/dbraw/zinc/33/48/68/585334868.db2.gz CEMCYXRDTCSVOM-RBXMUDONSA-N 0 1 244.316 1.004 20 5 BDBDMN C[C@H]1CCC[C@H](C)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839690227 585335202 /nfs/dbraw/zinc/33/52/02/585335202.db2.gz IJJKSHZBWLHFTF-UKKRHICBSA-N 0 1 240.303 1.689 20 5 BDBDMN CC(C)[C@H](C)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839687607 585335234 /nfs/dbraw/zinc/33/52/34/585335234.db2.gz CZEXCQLJZQQCQX-IWSPIJDZSA-N 0 1 214.265 1.060 20 5 BDBDMN C[C@@H]1CCC[C@H](C)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839690223 585335358 /nfs/dbraw/zinc/33/53/58/585335358.db2.gz IJJKSHZBWLHFTF-LMLFDSFASA-N 0 1 240.303 1.689 20 5 BDBDMN CC[C@@]1(C)CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839697879 585335562 /nfs/dbraw/zinc/33/55/62/585335562.db2.gz WZXHEHHQJVACKE-FOGDFJRCSA-N 0 1 240.303 1.690 20 5 BDBDMN CC[C@H]1CCC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839702830 585336658 /nfs/dbraw/zinc/33/66/58/585336658.db2.gz WGZSUOJTZFBSHP-SGIHWFKDSA-N 0 1 226.276 1.347 20 5 BDBDMN CC[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839702832 585337142 /nfs/dbraw/zinc/33/71/42/585337142.db2.gz WGZSUOJTZFBSHP-ZYUZMQFOSA-N 0 1 226.276 1.347 20 5 BDBDMN O=C(N[C@@H]1CCCC(F)(F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839705130 585337653 /nfs/dbraw/zinc/33/76/53/585337653.db2.gz DNIPICPHGHTELS-BWZBUEFSSA-N 0 1 248.229 1.346 20 5 BDBDMN C[C@H](CCC1CC1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839727912 585338964 /nfs/dbraw/zinc/33/89/64/585338964.db2.gz GVUWWUUJTVDCII-SZEHBUNVSA-N 0 1 226.276 1.347 20 5 BDBDMN CC(C)[C@]1(C)C[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839800027 585534159 /nfs/dbraw/zinc/53/41/59/585534159.db2.gz UHCMSIAABRLRHE-CDLYGTGVSA-N 0 1 226.276 1.202 20 5 BDBDMN CC1(C)[C@H](C(F)(F)F)CCN1CC[N+](=O)[O-] ZINC000787735324 585915014 /nfs/dbraw/zinc/91/50/14/585915014.db2.gz FRKATMBEXMJIOM-SSDOTTSWSA-N 0 1 240.225 1.926 20 5 BDBDMN Cc1c(C(=O)Nc2c[nH]nn2)cccc1[N+](=O)[O-] ZINC000789927335 585953856 /nfs/dbraw/zinc/95/38/56/585953856.db2.gz BJELHZKLOLXXFL-UHFFFAOYSA-N 0 1 247.214 1.274 20 5 BDBDMN CC(C)C(NC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC000840399597 586999857 /nfs/dbraw/zinc/99/98/57/586999857.db2.gz PKUIZTZFBUTULF-RKDXNWHRSA-N 0 1 228.292 1.448 20 5 BDBDMN CC1(C)CC[C@H]1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000821828661 587140968 /nfs/dbraw/zinc/14/09/68/587140968.db2.gz NLAMCHJXECUTCY-BWZBUEFSSA-N 0 1 213.233 1.383 20 5 BDBDMN C[C@]1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC=CCC1 ZINC000840476087 587198934 /nfs/dbraw/zinc/19/89/34/587198934.db2.gz SEPAHNYUVYJQIA-KKZNHRDASA-N 0 1 224.260 1.267 20 5 BDBDMN Cc1cccnc1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840670926 587915496 /nfs/dbraw/zinc/91/54/96/587915496.db2.gz YTOVAPZCNKTHLP-PSASIEDQSA-N 0 1 236.227 1.098 20 5 BDBDMN O=C(O[C@H]1COc2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000841156443 587947786 /nfs/dbraw/zinc/94/77/86/587947786.db2.gz MVICWUYVCYFVGS-KKZNHRDASA-N 0 1 249.222 1.329 20 5 BDBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccco1 ZINC000842328806 588018601 /nfs/dbraw/zinc/01/86/01/588018601.db2.gz RWIWKGIFWZCXNT-BWZBUEFSSA-N 0 1 225.200 1.549 20 5 BDBDMN CC(C)[C@@]1(C)C[C@@H]1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842337164 588019179 /nfs/dbraw/zinc/01/91/79/588019179.db2.gz AWCWQDPJAMHNCF-DNRKLUKYSA-N 0 1 241.287 1.877 20 5 BDBDMN C[C@@H](C[C@@H]1CCOC1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842350974 588020555 /nfs/dbraw/zinc/02/05/55/588020555.db2.gz VVJUBOKALDHBKQ-AXTSPUMRSA-N 0 1 243.259 1.010 20 5 BDBDMN O=C(OC[C@H]1CCCCS1)[C@@H]1CC1[N+](=O)[O-] ZINC000842354387 588020891 /nfs/dbraw/zinc/02/08/91/588020891.db2.gz NGOLLYCMEHJBNW-IWSPIJDZSA-N 0 1 245.300 1.481 20 5 BDBDMN CC1(CC(F)F)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000844008121 588155257 /nfs/dbraw/zinc/15/52/57/588155257.db2.gz SMBVYTHVBWMBIJ-RNFRBKRXSA-N 0 1 248.229 1.155 20 5 BDBDMN CC(C)C(C)(C)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000847946336 588344939 /nfs/dbraw/zinc/34/49/39/588344939.db2.gz FVOPCYKMOHWIIO-RKDXNWHRSA-N 0 1 229.276 1.877 20 5 BDBDMN O=C(OC1CCC2(CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000870799502 589689760 /nfs/dbraw/zinc/68/97/60/589689760.db2.gz GBBLHLNOYHZQJN-NXEZZACHSA-N 0 1 239.271 1.918 20 5 BDBDMN C[C@@](N)(C(=O)NC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000870855027 589691579 /nfs/dbraw/zinc/69/15/79/589691579.db2.gz UEPIEXBZGMFRNT-LBPRGKRZSA-N 0 1 249.270 1.047 20 5 BDBDMN C[C@](N)(C(=O)NC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000870855026 589691809 /nfs/dbraw/zinc/69/18/09/589691809.db2.gz UEPIEXBZGMFRNT-GFCCVEGCSA-N 0 1 249.270 1.047 20 5 BDBDMN O=C(N[C@@H]1CCCC2(CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000888691507 590182805 /nfs/dbraw/zinc/18/28/05/590182805.db2.gz HOTVWNGMDJXGQB-OPRDCNLKSA-N 0 1 238.287 1.491 20 5 BDBDMN O=[N+]([O-])c1cnn(CCN2CCC(F)CC2)c1 ZINC000880239692 590972308 /nfs/dbraw/zinc/97/23/08/590972308.db2.gz CMTDRIOSAWITKN-UHFFFAOYSA-N 0 1 242.254 1.225 20 5 BDBDMN CC1(C)C[C@@]1(C)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000881544530 591237040 /nfs/dbraw/zinc/23/70/40/591237040.db2.gz CBPNSQBKSZUWQO-XLDPMVHQSA-N 0 1 226.276 1.204 20 5 BDBDMN C=C/C=C/CCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000884550731 591973639 /nfs/dbraw/zinc/97/36/39/591973639.db2.gz KOBYAVZZZDCLPV-HUGTUPKYSA-N 0 1 211.217 1.327 20 5 BDBDMN O=[N+]([O-])CCNCc1cc2ccccc2[nH]1 ZINC000905077323 637577384 /nfs/dbraw/zinc/57/73/84/637577384.db2.gz XGKCJRNTGJPODB-UHFFFAOYSA-N 0 1 219.244 1.534 20 5 BDBDMN Cc1cc(C)cc(OCCNCC[N+](=O)[O-])c1 ZINC000905068090 637601104 /nfs/dbraw/zinc/60/11/04/637601104.db2.gz LIUYHYWBXMTKRB-UHFFFAOYSA-N 0 1 238.287 1.549 20 5 BDBDMN Cc1cc2cc(CNCC[N+](=O)[O-])ccc2[nH]1 ZINC000905255395 637712831 /nfs/dbraw/zinc/71/28/31/637712831.db2.gz HIWMITDSAVFOQC-UHFFFAOYSA-N 0 1 233.271 1.843 20 5 BDBDMN O=[N+]([O-])CCN1CC[C@H](c2ccncc2)C1 ZINC000930516550 639794599 /nfs/dbraw/zinc/79/45/99/639794599.db2.gz MPSFOOKALRERTG-NSHDSACASA-N 0 1 221.260 1.148 20 5 BDBDMN O=[N+]([O-])CCN1CCC[C@@H](c2cccnc2)C1 ZINC000930810001 639914125 /nfs/dbraw/zinc/91/41/25/639914125.db2.gz QDJHKYXOOQGZND-GFCCVEGCSA-N 0 1 235.287 1.538 20 5 BDBDMN COCCCCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000919665960 642371764 /nfs/dbraw/zinc/37/17/64/642371764.db2.gz IZXJSKZLDBDZIQ-UHFFFAOYSA-N 0 1 242.231 1.506 20 5 BDBDMN CC1(COC(=O)c2ccc([N+](=O)[O-])[nH]2)COC1 ZINC000920126784 642439111 /nfs/dbraw/zinc/43/91/11/642439111.db2.gz LAMLLKYVENRZNH-UHFFFAOYSA-N 0 1 240.215 1.116 20 5 BDBDMN Cc1ccc(CNCc2cnc[nH]2)cc1[N+](=O)[O-] ZINC000088750924 644528269 /nfs/dbraw/zinc/52/82/69/644528269.db2.gz WGKJWPMDOSHMPL-UHFFFAOYSA-N 0 1 246.270 1.916 20 5 BDBDMN C[C@@H]1[C@H](C)CN(Cn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000841689302 645224217 /nfs/dbraw/zinc/22/42/17/645224217.db2.gz IZPBMHDKBQAXRJ-BBBLOLIVSA-N 0 1 238.291 1.725 20 5 BDBDMN Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCN1C ZINC000712618204 712438423 /nfs/dbraw/zinc/43/84/23/712438423.db2.gz VMJBLKDDPBKTKC-VIFPVBQESA-N 0 1 236.275 1.414 20 5 BDBDMN CCCOC1CN([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169021906 969359788 /nfs/dbraw/zinc/35/97/88/969359788.db2.gz BAGKUBYBKXRXDQ-QWRGUYRKSA-N 0 1 242.319 1.543 20 5 BDBDMN O=[N+]([O-])CCN1CCOCC2(CCCC2)C1 ZINC001334795919 976678092 /nfs/dbraw/zinc/67/80/92/976678092.db2.gz VARJHFMLVZYJPR-UHFFFAOYSA-N 0 1 228.292 1.156 20 5 BDBDMN O=[N+]([O-])c1cc2cn[nH]c2cc1OC1CC(O)C1 ZINC001218258546 959921381 /nfs/dbraw/zinc/92/13/81/959921381.db2.gz JSUGEIQIQBDFQB-UHFFFAOYSA-N 0 1 249.226 1.373 20 5 BDBDMN O=[N+]([O-])C[C@@H](Oc1ccc2nc[nH]c2c1)C1CC1 ZINC001226928472 963406962 /nfs/dbraw/zinc/40/69/62/963406962.db2.gz LSHLSIANQAZQOM-GFCCVEGCSA-N 0 1 247.254 1.997 20 5 BDBDMN O=[N+]([O-])C[C@H]1CC[C@@H](NCc2ccon2)C1 ZINC001168956318 969305247 /nfs/dbraw/zinc/30/52/47/969305247.db2.gz AWUOQQPTBUZVIP-DTWKUNHWSA-N 0 1 225.248 1.210 20 5 BDBDMN O=[N+]([O-])C[C@@H]1CC[C@H](NCc2ncco2)C1 ZINC001168959576 969309201 /nfs/dbraw/zinc/30/92/01/969309201.db2.gz WXMZMORSLRJGIE-BDAKNGLRSA-N 0 1 225.248 1.210 20 5 BDBDMN O=[N+]([O-])C[C@H]1CC[C@H](NCc2ncco2)C1 ZINC001168959578 969309556 /nfs/dbraw/zinc/30/95/56/969309556.db2.gz WXMZMORSLRJGIE-IUCAKERBSA-N 0 1 225.248 1.210 20 5 BDBDMN CC(F)(F)CN[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168960756 969310783 /nfs/dbraw/zinc/31/07/83/969310783.db2.gz GWKYUOFDDSTDEU-JGVFFNPUSA-N 0 1 222.235 1.677 20 5 BDBDMN O=[N+]([O-])C[C@H]1CC[C@H](N2CC3(C2)CCCO3)C1 ZINC001169014452 969341201 /nfs/dbraw/zinc/34/12/01/969341201.db2.gz ZWQWHVYVCJOVTG-QWRGUYRKSA-N 0 1 240.303 1.297 20 5 BDBDMN C[C@@H]1CC(=O)CCN1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169014408 969342589 /nfs/dbraw/zinc/34/25/89/969342589.db2.gz ZKNAVUONWRUHHP-OUAUKWLOSA-N 0 1 240.303 1.485 20 5 BDBDMN Cc1cnc(CN)n1-c1cc(C)c([N+](=O)[O-])cn1 ZINC001169028969 969348902 /nfs/dbraw/zinc/34/89/02/969348902.db2.gz QAAXJNNQGCLVQS-UHFFFAOYSA-N 0 1 247.258 1.251 20 5 BDBDMN CN(Cc1ccon1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037031 969355069 /nfs/dbraw/zinc/35/50/69/969355069.db2.gz HWWMDNNROVSVDN-KOLCDFICSA-N 0 1 239.275 1.552 20 5 BDBDMN O=[N+]([O-])C[C@H]1CC[C@@H](N2C[C@H]3CC[C@@H]2CO3)C1 ZINC001169053891 969372734 /nfs/dbraw/zinc/37/27/34/969372734.db2.gz JZCNXSPKJXRHOK-IRCOFANPSA-N 0 1 240.303 1.295 20 5 BDBDMN Nc1c[nH+]cn1-c1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393505 969881298 /nfs/dbraw/zinc/88/12/98/969881298.db2.gz CNZGETYFLBWXFM-UHFFFAOYSA-N 0 1 220.188 1.068 20 5 BDBDMN Nc1cncn1-c1c(F)ccc([N+](=O)[O-])c1F ZINC001215289184 970695693 /nfs/dbraw/zinc/69/56/93/970695693.db2.gz FWSDWXCIDOFBDD-UHFFFAOYSA-N 0 1 240.169 1.641 20 5 BDBDMN CC(=O)[C@H](C)Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225492618 974527623 /nfs/dbraw/zinc/52/76/23/974527623.db2.gz YFNVIJSLHDJJPG-ZETCQYMHSA-N 0 1 225.200 1.657 20 5 BDBDMN Cc1ccnc(O[C@@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC001226116209 974798548 /nfs/dbraw/zinc/79/85/48/974798548.db2.gz OOFUMDJKKHIDFK-SECBINFHSA-N 0 1 237.259 1.381 20 5 BDBDMN O=[N+]([O-])c1cc2cn[nH]c2cc1OC1COC1 ZINC001230595090 977265026 /nfs/dbraw/zinc/26/50/26/977265026.db2.gz JCVZQFMHXKWBAW-UHFFFAOYSA-N 0 1 235.199 1.249 20 5 BDBDMN C[C@H](Cc1cccs1)N(C)CC[N+](=O)[O-] ZINC001191464041 981051717 /nfs/dbraw/zinc/05/17/17/981051717.db2.gz JHBUTAMUMFAAPM-SECBINFHSA-N 0 1 228.317 1.888 20 5 BDBDMN C[C@@H](CC(F)(F)F)NCC[N+](=O)[O-] ZINC001353309605 982832181 /nfs/dbraw/zinc/83/21/81/982832181.db2.gz GQXSMRXMVANEKO-YFKPBYRVSA-N 0 1 200.160 1.194 20 5 BDBDMN C=C=CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001468374832 986910788 /nfs/dbraw/zinc/91/07/88/986910788.db2.gz HFQYOLDDPLQLRA-UHFFFAOYSA-N 0 1 234.211 1.371 20 5 BDBDMN O=C(OCCOC1CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC001526009795 990101265 /nfs/dbraw/zinc/10/12/65/990101265.db2.gz OXXJVFMSQHFAJH-UHFFFAOYSA-N 0 1 240.215 1.259 20 5 BDBDMN CC[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1C ZINC001539120813 990559440 /nfs/dbraw/zinc/55/94/40/990559440.db2.gz KFUVUAYQKTZWTM-UTINFBMNSA-N 0 1 226.276 1.299 20 5 BDBDMN C[C@@H](C(=O)[O-])[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001319275801 991830736 /nfs/dbraw/zinc/83/07/36/991830736.db2.gz VANJYNQSHJWXQE-ZETCQYMHSA-N 0 1 236.227 1.384 20 5 BDBDMN C[C@@H](C(=O)[O-])[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001319275801 991830741 /nfs/dbraw/zinc/83/07/41/991830741.db2.gz VANJYNQSHJWXQE-ZETCQYMHSA-N 0 1 236.227 1.384 20 5 BDBDMN O=[N+]([O-])c1ccccc1CNCCn1cccn1 ZINC000042319595 361979030 /nfs/dbraw/zinc/97/90/30/361979030.db2.gz RZRVKYGJPWJUSG-UHFFFAOYSA-N 0 1 246.270 1.581 20 5 BDBDMN CC[C@@H](CO)NCc1ccc([N+](=O)[O-])cc1F ZINC000379817384 343633384 /nfs/dbraw/zinc/63/33/84/343633384.db2.gz RIVSKGOGSKONDV-VIFPVBQESA-N 0 1 242.250 1.594 20 5 BDBDMN O=[N+]([O-])c1ccccc1N1CC(N2CCCC2)C1 ZINC000601194308 344658834 /nfs/dbraw/zinc/65/88/34/344658834.db2.gz YCIDNOFHBZECBI-UHFFFAOYSA-N 0 1 247.298 1.879 20 5 BDBDMN Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000103252845 180014087 /nfs/dbraw/zinc/01/40/87/180014087.db2.gz QGUASRFPLVSAFG-UHFFFAOYSA-N 0 1 247.214 1.274 20 5 BDBDMN Cc1n[nH]c(NC(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000103252845 180014089 /nfs/dbraw/zinc/01/40/89/180014089.db2.gz QGUASRFPLVSAFG-UHFFFAOYSA-N 0 1 247.214 1.274 20 5 BDBDMN O=[N+]([O-])c1ccc(NCCN2CCC2)cn1 ZINC000450405591 202156618 /nfs/dbraw/zinc/15/66/18/202156618.db2.gz PFDDSQOPPFAOGC-UHFFFAOYSA-N 0 1 222.248 1.107 20 5 BDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC(F)C1 ZINC000346021171 356955442 /nfs/dbraw/zinc/95/54/42/356955442.db2.gz BARZTIXAOGTMDW-UHFFFAOYSA-N 0 1 240.190 1.094 20 5 BDBDMN C[N@@H+](CCC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1 ZINC000038000630 361367033 /nfs/dbraw/zinc/36/70/33/361367033.db2.gz FQIPBDPHJGHWMG-UHFFFAOYSA-N 0 1 238.243 1.501 20 5 BDBDMN Cc1ccnc(NCc2nnc[nH]2)c1[N+](=O)[O-] ZINC000070495936 371037285 /nfs/dbraw/zinc/03/72/85/371037285.db2.gz KUDQSWGHTOEJAN-UHFFFAOYSA-N 0 1 234.219 1.028 20 5 BDBDMN CCCN(CCC)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602429567 371802952 /nfs/dbraw/zinc/80/29/52/371802952.db2.gz PRUGVJQUOFTNED-UHFFFAOYSA-N 0 1 240.307 1.950 20 5 BDBDMN C[C@H](C1CC1)N(C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602441994 371804871 /nfs/dbraw/zinc/80/48/71/371804871.db2.gz IGGLEHRWMGEYQM-MRVPVSSYSA-N 0 1 238.291 1.559 20 5 BDBDMN Cc1c(CN2C[C@@H]3C[C@]3(O)C2)cccc1[N+](=O)[O-] ZINC000603092150 371867644 /nfs/dbraw/zinc/86/76/44/371867644.db2.gz TTWBEBWMMYBIKH-AAEUAGOBSA-N 0 1 248.282 1.470 20 5 BDBDMN O=C(NC12CCC(CC1)C2)[C@H]1CC1[N+](=O)[O-] ZINC000371746355 182092500 /nfs/dbraw/zinc/09/25/00/182092500.db2.gz IRGSQQVNTZXPPH-QMFGVRBNSA-N 0 1 224.260 1.101 20 5 BDBDMN O=[N+]([O-])c1cc(CN[C@@H]2CCCOC2)cs1 ZINC000071012348 182922413 /nfs/dbraw/zinc/92/24/13/182922413.db2.gz AYHPDEWOXRLNDN-SECBINFHSA-N 0 1 242.300 1.925 20 5 BDBDMN CCO[C@H]1C[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000572823837 384171447 /nfs/dbraw/zinc/17/14/47/384171447.db2.gz ZVYDHRROFSCLBG-JQWIXIFHSA-N 0 1 236.271 1.862 20 5 BDBDMN CN(Cc1cccc([N+](=O)[O-])c1)C1(CO)CC1 ZINC000285457777 384487769 /nfs/dbraw/zinc/48/77/69/384487769.db2.gz JPITTZVCPGQPIV-UHFFFAOYSA-N 0 1 236.271 1.552 20 5 BDBDMN O=[N+]([O-])c1ccccc1NCCN1CCC1 ZINC000309518620 384849624 /nfs/dbraw/zinc/84/96/24/384849624.db2.gz SNLPSPDQJWPQGJ-UHFFFAOYSA-N 0 1 221.260 1.712 20 5 BDBDMN CN(Cc1cnc[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC000179315680 384850369 /nfs/dbraw/zinc/85/03/69/384850369.db2.gz OWIFPRJWRPLQCG-UHFFFAOYSA-N 0 1 246.270 1.950 20 5 BDBDMN CCCn1cc(Nc2ncc([N+](=O)[O-])cn2)cn1 ZINC000302107051 385901420 /nfs/dbraw/zinc/90/14/20/385901420.db2.gz NZARYZXCMSJTQN-UHFFFAOYSA-N 0 1 248.246 1.735 20 5 BDBDMN Cc1[nH]nc(C(=O)N(C)C2CCC2)c1[N+](=O)[O-] ZINC000266072442 387366689 /nfs/dbraw/zinc/36/66/89/387366689.db2.gz CLJNUSAHBUWWSQ-UHFFFAOYSA-N 0 1 238.247 1.251 20 5 BDBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CC2(C1)CCCCC2 ZINC000371858199 397941616 /nfs/dbraw/zinc/94/16/16/397941616.db2.gz KYPGSNJJGQOCRE-UWVGGRQHSA-N 0 1 238.287 1.444 20 5 BDBDMN C[C@@H]1C[C@@H](O)CN1Cc1cccc([N+](=O)[O-])c1 ZINC000340930929 176383420 /nfs/dbraw/zinc/38/34/20/176383420.db2.gz TZJWTGNBLUSSCK-BXKDBHETSA-N 0 1 236.271 1.550 20 5 BDBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](O)C1 ZINC000074313398 177038059 /nfs/dbraw/zinc/03/80/59/177038059.db2.gz AQTUTISUHBJBGU-SKDRFNHKSA-N 0 1 236.271 1.722 20 5 BDBDMN C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000351810988 177264305 /nfs/dbraw/zinc/26/43/05/177264305.db2.gz OLMPZJFMKMMXRX-JOYOIKCWSA-N 0 1 236.271 1.407 20 5 BDBDMN CCc1nc(CNc2ccc([N+](=O)[O-])nc2)n[nH]1 ZINC000392391392 323379237 /nfs/dbraw/zinc/37/92/37/323379237.db2.gz LTBVDPXLRNYYQT-UHFFFAOYSA-N 0 1 248.246 1.282 20 5 BDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCCO1 ZINC000274648164 490289381 /nfs/dbraw/zinc/28/93/81/490289381.db2.gz MNPCXFRRRUXHRZ-UHFFFAOYSA-N 0 1 238.199 1.078 20 5 BDBDMN C[C@@H]1CC=CC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000890765898 582542614 /nfs/dbraw/zinc/54/26/14/582542614.db2.gz TYJPEAHYJKAZMN-ZYUZMQFOSA-N 0 1 224.260 1.123 20 5 BDBDMN C[C@]1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1(F)F ZINC000855802640 588849096 /nfs/dbraw/zinc/84/90/96/588849096.db2.gz ACZTYOHWMJBPAA-BHNWBGBOSA-N 0 1 248.229 1.203 20 5 BDBDMN COC(C)(C)CCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673383 583422972 /nfs/dbraw/zinc/42/29/72/583422972.db2.gz MOSXXIPMCSJKTF-HTQZYQBOSA-N 0 1 231.248 1.010 20 5 BDBDMN O=[N+]([O-])CCNCc1cc2c(s1)CCCC2 ZINC000899871717 584244337 /nfs/dbraw/zinc/24/43/37/584244337.db2.gz SQUNYBSQDKDZAY-UHFFFAOYSA-N 0 1 240.328 1.993 20 5 BDBDMN CCOCc1ccccc1CNCC[N+](=O)[O-] ZINC000899870664 584244865 /nfs/dbraw/zinc/24/48/65/584244865.db2.gz NIJBEXMFEBROPF-UHFFFAOYSA-N 0 1 238.287 1.589 20 5 BDBDMN O=[N+]([O-])CCN[C@@H]1CCc2cc(F)ccc21 ZINC000899873853 584245689 /nfs/dbraw/zinc/24/56/89/584245689.db2.gz VXJJMTGJBJODMI-LLVKDONJSA-N 0 1 224.235 1.679 20 5 BDBDMN C[C@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839461014 585103556 /nfs/dbraw/zinc/10/35/56/585103556.db2.gz IORSNDQKRKTXBT-DJLDLDEBSA-N 0 1 212.249 1.053 20 5 BDBDMN CC(C)[C@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839581561 585330966 /nfs/dbraw/zinc/33/09/66/585330966.db2.gz UFRBNWOMFXJZHB-OPRDCNLKSA-N 0 1 226.276 1.299 20 5 BDBDMN O=C(Nc1cccc2[nH]ccc21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839628703 585332809 /nfs/dbraw/zinc/33/28/09/585332809.db2.gz ZVMRGQGZHDCQNG-LDYMZIIASA-N 0 1 245.238 1.772 20 5 BDBDMN CC[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839687237 585335221 /nfs/dbraw/zinc/33/52/21/585335221.db2.gz ZFGSUTOCFZXQOU-GMTAPVOTSA-N 0 1 240.303 1.690 20 5 BDBDMN C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H](C)C1 ZINC000839687966 585335283 /nfs/dbraw/zinc/33/52/83/585335283.db2.gz JFDCKQRNAKHMTC-ZKKRXERASA-N 0 1 240.303 1.593 20 5 BDBDMN CC[C@@H]1CCCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839694278 585335463 /nfs/dbraw/zinc/33/54/63/585335463.db2.gz MVOFPFJFPGSMFW-GMTAPVOTSA-N 0 1 240.303 1.833 20 5 BDBDMN CS[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839693881 585335696 /nfs/dbraw/zinc/33/56/96/585335696.db2.gz XAAGXPOMXRJJRX-RBXMUDONSA-N 0 1 244.316 1.052 20 5 BDBDMN C[C@H](N(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C1(C)CC1 ZINC000839699162 585335737 /nfs/dbraw/zinc/33/57/37/585335737.db2.gz JMIRUSXKMVSUFK-DJLDLDEBSA-N 0 1 226.276 1.299 20 5 BDBDMN CCC1(CC)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839701259 585335824 /nfs/dbraw/zinc/33/58/24/585335824.db2.gz OYSWJWZNFKKHDH-NXEZZACHSA-N 0 1 240.303 1.690 20 5 BDBDMN CCC[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839701467 585335848 /nfs/dbraw/zinc/33/58/48/585335848.db2.gz LOAZHGLEFJQIEZ-HBNTYKKESA-N 0 1 240.303 1.690 20 5 BDBDMN O=C(NCCC1=CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839713984 585338030 /nfs/dbraw/zinc/33/80/30/585338030.db2.gz WMEINABKUIRQOA-NXEZZACHSA-N 0 1 224.260 1.268 20 5 BDBDMN C[C@H]1CCCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839727487 585338803 /nfs/dbraw/zinc/33/88/03/585338803.db2.gz FAGYWPHEHSLMLF-IVZWLZJFSA-N 0 1 226.276 1.300 20 5 BDBDMN Cc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1O ZINC000839747259 585340059 /nfs/dbraw/zinc/34/00/59/585340059.db2.gz GNQDHOPHUWRNMZ-RKDXNWHRSA-N 0 1 236.227 1.304 20 5 BDBDMN CC1(C)CCC[C@@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839780874 585341796 /nfs/dbraw/zinc/34/17/96/585341796.db2.gz XVRDGWUUQYXPQX-OPRDCNLKSA-N 0 1 240.303 1.594 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCCCCCC1 ZINC000839786630 585342020 /nfs/dbraw/zinc/34/20/20/585342020.db2.gz XHPROAUOZQNZTA-GHMZBOCLSA-N 0 1 240.303 1.834 20 5 BDBDMN CCc1cc(CNc2ncc([N+](=O)[O-])cn2)n[nH]1 ZINC000760535128 585393780 /nfs/dbraw/zinc/39/37/80/585393780.db2.gz TZISMKZDVZBJID-UHFFFAOYSA-N 0 1 248.246 1.282 20 5 BDBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc[nH]1 ZINC000765336379 585484016 /nfs/dbraw/zinc/48/40/16/585484016.db2.gz LRQSGQXDADECIE-LURJTMIESA-N 0 1 249.230 1.137 20 5 BDBDMN O=[N+]([O-])c1ccc(N2CCc3cn[nH]c3C2)cc1 ZINC000774536937 585661093 /nfs/dbraw/zinc/66/10/93/585661093.db2.gz PXHLVQIZKNEQNH-UHFFFAOYSA-N 0 1 244.254 1.881 20 5 BDBDMN O=C(OCC1(F)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000789595667 585945148 /nfs/dbraw/zinc/94/51/48/585945148.db2.gz GFBAHMMHGGTGMC-UHFFFAOYSA-N 0 1 228.179 1.582 20 5 BDBDMN O=[N+]([O-])CCN1CCS[C@H]2CCCC[C@@H]21 ZINC000791053533 585973056 /nfs/dbraw/zinc/97/30/56/585973056.db2.gz TWOOJHMOLGDKMI-UWVGGRQHSA-N 0 1 230.333 1.623 20 5 BDBDMN Cc1ccc(COC(=O)[C@@H]2CC2[N+](=O)[O-])nc1 ZINC000840671520 587915843 /nfs/dbraw/zinc/91/58/43/587915843.db2.gz WLIUEMFCXIRMDB-NXEZZACHSA-N 0 1 236.227 1.098 20 5 BDBDMN CO[C@@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])CC(C)C ZINC000842104662 588000400 /nfs/dbraw/zinc/00/04/00/588000400.db2.gz RLUVSQBZJUSEEA-OPRDCNLKSA-N 0 1 245.275 1.256 20 5 BDBDMN CC(C)[C@]1(C)C[C@@H]1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842337156 588019426 /nfs/dbraw/zinc/01/94/26/588019426.db2.gz AWCWQDPJAMHNCF-BFLSOPEQSA-N 0 1 241.287 1.877 20 5 BDBDMN CC1(C)C[C@@H]1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842364921 588021509 /nfs/dbraw/zinc/02/15/09/588021509.db2.gz CJGKZWZQDYRYMC-BWZBUEFSSA-N 0 1 213.233 1.241 20 5 BDBDMN O=C(OCCC1CC(F)(F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000842379628 588023148 /nfs/dbraw/zinc/02/31/48/588023148.db2.gz MQTZOZRKWSZOKT-HTQZYQBOSA-N 0 1 249.213 1.630 20 5 BDBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862441176 589213252 /nfs/dbraw/zinc/21/32/52/589213252.db2.gz PONGGICEYAIPCF-DTORHVGOSA-N 0 1 234.255 1.752 20 5 BDBDMN O=C(NCC[C@H]1CC=CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000862946010 589247721 /nfs/dbraw/zinc/24/77/21/589247721.db2.gz FJYHBVXQTNKCCD-HBNTYKKESA-N 0 1 238.287 1.514 20 5 BDBDMN CCC[C@@H](C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000881532509 591231779 /nfs/dbraw/zinc/23/17/79/591231779.db2.gz RMIKGSAOXNSUIN-OPRDCNLKSA-N 0 1 228.292 1.594 20 5 BDBDMN CCCN(C)Cc1cccnc1[N+](=O)[O-] ZINC000885971180 592119265 /nfs/dbraw/zinc/11/92/65/592119265.db2.gz SPWWIDDKFZOTSA-UHFFFAOYSA-N 0 1 209.249 1.832 20 5 BDBDMN O=[N+]([O-])c1ccc2cnn(CN3CCCC3)c2c1 ZINC000034872164 635856035 /nfs/dbraw/zinc/85/60/35/635856035.db2.gz PPVYQPKHMDKXGE-UHFFFAOYSA-N 0 1 246.270 1.998 20 5 BDBDMN CC(C)[C@H]1N(CC[N+](=O)[O-])CC12CCC2 ZINC000899885921 637148308 /nfs/dbraw/zinc/14/83/08/637148308.db2.gz QHKPVZXKGKXACN-SNVBAGLBSA-N 0 1 212.293 1.774 20 5 BDBDMN O=[N+]([O-])CCNCc1ccccc1N1CCCC1 ZINC000905060909 637595627 /nfs/dbraw/zinc/59/56/27/637595627.db2.gz YMFFIQPLZKFBRZ-UHFFFAOYSA-N 0 1 249.314 1.653 20 5 BDBDMN CSCc1cccc(CNCC[N+](=O)[O-])c1 ZINC000905233541 637721619 /nfs/dbraw/zinc/72/16/19/637721619.db2.gz XTSUJCXQHFRBRN-UHFFFAOYSA-N 0 1 240.328 1.916 20 5 BDBDMN O=[N+]([O-])CCNCc1ccc(O)c(Cl)c1 ZINC000905415791 637803577 /nfs/dbraw/zinc/80/35/77/637803577.db2.gz QERZBPOAPNQWRC-UHFFFAOYSA-N 0 1 230.651 1.412 20 5 BDBDMN Cc1ccccc1CCN(C)CC[N+](=O)[O-] ZINC000930598800 639816292 /nfs/dbraw/zinc/81/62/92/639816292.db2.gz RZOPFEIOJACLDO-UHFFFAOYSA-N 0 1 222.288 1.746 20 5 BDBDMN CO[C@H]1C[C@@H](N(C)CC[N+](=O)[O-])C12CCC2 ZINC000930652828 639841562 /nfs/dbraw/zinc/84/15/62/639841562.db2.gz PJSNLSCBXYEDJE-ZJUUUORDSA-N 0 1 228.292 1.153 20 5 BDBDMN O=[N+]([O-])CCN1CCC([C@H]2CCCCO2)CC1 ZINC000931022596 640026749 /nfs/dbraw/zinc/02/67/49/640026749.db2.gz YFTZUSVPDZMRCZ-GFCCVEGCSA-N 0 1 242.319 1.544 20 5 BDBDMN CN(CC1CCCC1)Cn1cc([N+](=O)[O-])cn1 ZINC000058207398 640690090 /nfs/dbraw/zinc/69/00/90/640690090.db2.gz XLMQMWSCHHDDAW-UHFFFAOYSA-N 0 1 238.291 1.871 20 5 BDBDMN O=[N+]([O-])c1cc(Cl)ccc1CNCCO ZINC000050443394 641149216 /nfs/dbraw/zinc/14/92/16/641149216.db2.gz KDNRGIQZXKMDGY-UHFFFAOYSA-N 0 1 230.651 1.330 20 5 BDBDMN CC(C)[C@H](C)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839523690 644559245 /nfs/dbraw/zinc/55/92/45/644559245.db2.gz BXSFDRPKQLPLMX-DJLDLDEBSA-N 0 1 214.265 1.155 20 5 BDBDMN C[C@H](Cc1ccc(O)cc1)N(C)CC[N+](=O)[O-] ZINC000929850650 646361839 /nfs/dbraw/zinc/36/18/39/646361839.db2.gz LPQIBBGMMRFMSA-SNVBAGLBSA-N 0 1 238.287 1.532 20 5 BDBDMN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)CC[N+](=O)[O-] ZINC000930034431 646404392 /nfs/dbraw/zinc/40/43/92/646404392.db2.gz AUCUKZRPLYNXDA-QWRGUYRKSA-N 0 1 244.335 1.789 20 5 BDBDMN Cc1ccc2c(c1)CC[C@@H]2NCC[N+](=O)[O-] ZINC000899872830 711803710 /nfs/dbraw/zinc/80/37/10/711803710.db2.gz FSROVRGPQIJMMA-LBPRGKRZSA-N 0 1 220.272 1.849 20 5 BDBDMN C[C@@H]1CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169005973 969329368 /nfs/dbraw/zinc/32/93/68/969329368.db2.gz DTVWDJRRUCLGFX-GMTAPVOTSA-N 0 1 240.303 1.343 20 5 BDBDMN O=[N+]([O-])CCN[C@H](c1cccnc1)C1CC1 ZINC001332835384 975290845 /nfs/dbraw/zinc/29/08/45/975290845.db2.gz LPSQCDDVDYKZIU-NSHDSACASA-N 0 1 221.260 1.399 20 5 BDBDMN O=[N+]([O-])c1ccc(O)cc1O[C@H]1C[C@@H](O)C1 ZINC001218413641 971786565 /nfs/dbraw/zinc/78/65/65/971786565.db2.gz MQPVHFNOUUNKGQ-OCAPTIKFSA-N 0 1 225.200 1.203 20 5 BDBDMN Cc1cc(COC(=O)[C@@H]2CC2[N+](=O)[O-])cs1 ZINC000841235878 961327761 /nfs/dbraw/zinc/32/77/61/961327761.db2.gz ZIMCIIKJWLAPDW-RKDXNWHRSA-N 0 1 241.268 1.765 20 5 BDBDMN O=[N+]([O-])C[C@@H]1CC[C@@H](NCc2ncccn2)C1 ZINC001168963129 969316505 /nfs/dbraw/zinc/31/65/05/969316505.db2.gz NSNFFSKZHOVIAV-NXEZZACHSA-N 0 1 236.275 1.012 20 5 BDBDMN CO[C@@H]1CN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1F ZINC001169011068 969339512 /nfs/dbraw/zinc/33/95/12/969339512.db2.gz HZWFFJUTNIFJHC-VPOLOUISSA-N 0 1 246.282 1.101 20 5 BDBDMN O=[N+]([O-])C[C@@H]1CC[C@@H](N2C[C@H]3CC[C@@H]2CO3)C1 ZINC001169053890 969371420 /nfs/dbraw/zinc/37/14/20/969371420.db2.gz JZCNXSPKJXRHOK-DDHJBXDOSA-N 0 1 240.303 1.295 20 5 BDBDMN Cc1ncn(-c2ccc(N)c([N+](=O)[O-])c2)c1N ZINC001209934501 969697148 /nfs/dbraw/zinc/69/71/48/969697148.db2.gz ISIIARAYAYNUOO-UHFFFAOYSA-N 0 1 233.231 1.253 20 5 BDBDMN O=[N+]([O-])c1ccc2c(c1)C[C@H](N[C@@H]1C[C@H]1F)C2 ZINC001254575143 969739606 /nfs/dbraw/zinc/73/96/06/969739606.db2.gz PALNYSFRONLDJQ-YUSALJHKSA-N 0 1 236.246 1.762 20 5 BDBDMN C[C@@H](OCc1nn[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC001223027799 972809125 /nfs/dbraw/zinc/80/91/25/972809125.db2.gz TYUPFPFBXOTOSX-SSDOTTSWSA-N 0 1 249.230 1.386 20 5 BDBDMN C[C@H](OCc1nn[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC001223027800 972809903 /nfs/dbraw/zinc/80/99/03/972809903.db2.gz TYUPFPFBXOTOSX-ZETCQYMHSA-N 0 1 249.230 1.386 20 5 BDBDMN CN1CC[C@@H](Oc2c(F)cccc2[N+](=O)[O-])C1 ZINC001226006751 974760779 /nfs/dbraw/zinc/76/07/79/974760779.db2.gz HGNOPHLERRYHFW-MRVPVSSYSA-N 0 1 240.234 1.817 20 5 BDBDMN O=[N+]([O-])C[C@@H](Oc1n[nH]c2ncccc12)C1CC1 ZINC001226303093 974851939 /nfs/dbraw/zinc/85/19/39/974851939.db2.gz RNYQTPVSVMYSFA-SECBINFHSA-N 0 1 248.242 1.392 20 5 BDBDMN Nc1cncn1-c1ccc([N+](=O)[O-])cc1 ZINC001174476685 976797051 /nfs/dbraw/zinc/79/70/51/976797051.db2.gz CEEBCDDKMMUBPJ-UHFFFAOYSA-N 0 1 204.189 1.363 20 5 BDBDMN Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC(=O)[O-] ZINC001600304932 978686618 /nfs/dbraw/zinc/68/66/18/978686618.db2.gz XNZVWAUGLMUMRT-UHFFFAOYSA-N 0 1 238.243 1.420 20 5 BDBDMN C[C@H]1CCN(CC[N+](=O)[O-])CCS1 ZINC001341359082 979352869 /nfs/dbraw/zinc/35/28/69/979352869.db2.gz IGHRYKOUKNSMKZ-QMMMGPOBSA-N 0 1 204.295 1.091 20 5 BDBDMN C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)[O-] ZINC001604180485 979594095 /nfs/dbraw/zinc/59/40/95/979594095.db2.gz MBVBSYMZKNFDOD-UHFFFAOYSA-N 0 1 238.243 1.154 20 5 BDBDMN CC(C)c1nnc(Cn2ccnc2[N+](=O)[O-])[nH]1 ZINC001459212788 985400360 /nfs/dbraw/zinc/40/03/60/985400360.db2.gz JLZXVEQSLASEML-UHFFFAOYSA-N 0 1 236.235 1.081 20 5 BDBDMN CC[C@H](C)c1nnc([C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001118427616 988342760 /nfs/dbraw/zinc/34/27/60/988342760.db2.gz LTTMQNVTXBPUEM-RRKCRQDMSA-N 0 1 211.221 1.716 20 5 BDBDMN CCc1cc(CNc2ccncc2[N+](=O)[O-])n[nH]1 ZINC001324035680 988675468 /nfs/dbraw/zinc/67/54/68/988675468.db2.gz SBGIXRQVXHGBMF-UHFFFAOYSA-N 0 1 247.258 1.309 20 5 BDBDMN CC[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1C ZINC001539120814 990559171 /nfs/dbraw/zinc/55/91/71/990559171.db2.gz KFUVUAYQKTZWTM-ZYUZMQFOSA-N 0 1 226.276 1.299 20 5 BDBDMN NC(=O)CSCc1cc(O)ccc1[N+](=O)[O-] ZINC001559425898 991105170 /nfs/dbraw/zinc/10/51/70/991105170.db2.gz UKDWACCPDWEXSO-UHFFFAOYSA-N 0 1 242.256 1.019 20 5 BDBDMN Cc1[nH]ncc1CNc1ncc([N+](=O)[O-])cc1C ZINC000052812452 178274618 /nfs/dbraw/zinc/27/46/18/178274618.db2.gz FQJSGKNAHPYAET-UHFFFAOYSA-N 0 1 247.258 1.942 20 5 BDBDMN Cc1cc([N+](=O)[O-])ccc1CN(C)CCO ZINC000183226022 178271067 /nfs/dbraw/zinc/27/10/67/178271067.db2.gz AWYIHKCFJGXVMF-UHFFFAOYSA-N 0 1 224.260 1.327 20 5 BDBDMN CC[C@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602487142 349568948 /nfs/dbraw/zinc/56/89/48/349568948.db2.gz UJVAAJWMZAYPCI-VIFPVBQESA-N 0 1 238.291 1.560 20 5 BDBDMN CN(Cc1nnc[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000301546998 398284642 /nfs/dbraw/zinc/28/46/42/398284642.db2.gz FGKSDYNSAALPDY-UHFFFAOYSA-N 0 1 233.231 1.349 20 5 BDBDMN Cc1cc(CNc2nccc(C)c2[N+](=O)[O-])n[nH]1 ZINC000609670160 342893566 /nfs/dbraw/zinc/89/35/66/342893566.db2.gz SBQUTYCVBKCYPL-UHFFFAOYSA-N 0 1 247.258 1.942 20 5 BDBDMN C[C@@H]1CC[C@H](C)N1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602788418 349751384 /nfs/dbraw/zinc/75/13/84/349751384.db2.gz PIFAEHYUNYIBGB-DTORHVGOSA-N 0 1 238.291 1.701 20 5 BDBDMN CCc1nc(CNc2ncccc2[N+](=O)[O-])n[nH]1 ZINC000294835087 346295022 /nfs/dbraw/zinc/29/50/22/346295022.db2.gz APGHBNDDRXUYAD-UHFFFAOYSA-N 0 1 248.246 1.282 20 5 BDBDMN O=[N+]([O-])c1ncccc1N1CC(N2CCCC2)C1 ZINC000601194313 346612349 /nfs/dbraw/zinc/61/23/49/346612349.db2.gz YJUPMHDUAATOJM-UHFFFAOYSA-N 0 1 248.286 1.274 20 5 BDBDMN CN1CCC(Nc2ncc([N+](=O)[O-])s2)CC1 ZINC000189681789 347307925 /nfs/dbraw/zinc/30/79/25/347307925.db2.gz CVWNUNHXDDZALT-UHFFFAOYSA-N 0 1 242.304 1.557 20 5 BDBDMN O=[N+]([O-])c1ccccc1CN[C@H](CO)CCF ZINC000593689258 347927593 /nfs/dbraw/zinc/92/75/93/347927593.db2.gz MXOWPIUXNBWEHD-JTQLQIEISA-N 0 1 242.250 1.405 20 5 BDBDMN Cc1noc(CN2C[C@H](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000595331991 348228154 /nfs/dbraw/zinc/22/81/54/348228154.db2.gz AWIFFRHZTKVPCD-OCAPTIKFSA-N 0 1 239.275 1.979 20 5 BDBDMN Cc1[nH+]ccn1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339057234 180269878 /nfs/dbraw/zinc/26/98/78/180269878.db2.gz ONDUHBGTGCDXAA-UHFFFAOYSA-N 0 1 233.227 1.854 20 5 BDBDMN CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000103202202 188335595 /nfs/dbraw/zinc/33/55/95/188335595.db2.gz VQDIZUAGWSQJJG-UHFFFAOYSA-N 0 1 247.214 1.338 20 5 BDBDMN CCO[C@H]1C[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000583182633 357511094 /nfs/dbraw/zinc/51/10/94/357511094.db2.gz HVLJWHHDSMSZKA-NEPJUHHUSA-N 0 1 236.271 1.862 20 5 BDBDMN CC[C@@H](O)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000171646775 372718097 /nfs/dbraw/zinc/71/80/97/372718097.db2.gz HKXXQMKPUZGJRL-LLVKDONJSA-N 0 1 238.287 1.798 20 5 BDBDMN O=C(NC1CCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272520174 182106333 /nfs/dbraw/zinc/10/63/33/182106333.db2.gz LBAZEHFLIDZHAC-UHFFFAOYSA-N 0 1 236.227 1.583 20 5 BDBDMN O=[N+]([O-])c1ccccc1CCNCc1ncc[nH]1 ZINC000266157208 182949147 /nfs/dbraw/zinc/94/91/47/182949147.db2.gz MNYILEFOJKQAMK-UHFFFAOYSA-N 0 1 246.270 1.650 20 5 BDBDMN CN(Cc1nnc[nH]1)c1ccsc1[N+](=O)[O-] ZINC000610663297 384193363 /nfs/dbraw/zinc/19/33/63/384193363.db2.gz DCZLQWKIACKQHV-UHFFFAOYSA-N 0 1 239.260 1.411 20 5 BDBDMN CCCN(Cc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000565168647 384617070 /nfs/dbraw/zinc/61/70/70/384617070.db2.gz AHQPZNYAECSGIL-UHFFFAOYSA-N 0 1 240.307 1.949 20 5 BDBDMN C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1nnc[nH]1 ZINC000226500295 385027877 /nfs/dbraw/zinc/02/78/77/385027877.db2.gz OSYQHHSEMZMXCK-ZETCQYMHSA-N 0 1 233.231 1.886 20 5 BDBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC2(CCCC2)C1 ZINC000365638442 386243861 /nfs/dbraw/zinc/24/38/61/386243861.db2.gz SCMQJDKHCAIWFZ-UWVGGRQHSA-N 0 1 238.287 1.444 20 5 BDBDMN CCC=CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000295519325 387271732 /nfs/dbraw/zinc/27/17/32/387271732.db2.gz DTOVXHYIDBTVFJ-ONEGZZNKSA-N 0 1 224.220 1.014 20 5 BDBDMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000054070410 388022628 /nfs/dbraw/zinc/02/26/28/388022628.db2.gz QREBIJNFBCOKFP-MRVPVSSYSA-N 0 1 238.243 1.500 20 5 BDBDMN C[C@H](O)CN(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774753 388754807 /nfs/dbraw/zinc/75/48/07/388754807.db2.gz PHXSYRYUNFEBDG-QMMMGPOBSA-N 0 1 242.250 1.547 20 5 BDBDMN COCCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000035368056 174335828 /nfs/dbraw/zinc/33/58/28/174335828.db2.gz NLZAOYAIOHLGPT-UHFFFAOYSA-N 0 1 244.678 1.984 20 5 BDBDMN COc1ccc([N+](=O)[O-])cc1CNC[C@@H](C)O ZINC000035115129 175201279 /nfs/dbraw/zinc/20/12/79/175201279.db2.gz QYMCULBNYJBZLO-MRVPVSSYSA-N 0 1 240.259 1.074 20 5 BDBDMN C[C@@H]1CN(C)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000353602851 176266570 /nfs/dbraw/zinc/26/65/70/176266570.db2.gz FILXQKOAYPNTEP-LLVKDONJSA-N 0 1 249.314 1.731 20 5 BDBDMN CC[C@H](C(=O)OC[C@H](C)[N+](=O)[O-])N(CC)CC ZINC000813115119 582592126 /nfs/dbraw/zinc/59/21/26/582592126.db2.gz KURSRBWXOFGJMP-VHSXEESVSA-N 0 1 246.307 1.315 20 5 BDBDMN CC[C@](C)(NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000855875980 588851636 /nfs/dbraw/zinc/85/16/36/588851636.db2.gz RLDVHRRLGWPBFO-KKZNHRDASA-N 0 1 226.276 1.347 20 5 BDBDMN CC(C)OCCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840670143 583393600 /nfs/dbraw/zinc/39/36/00/583393600.db2.gz BGVKTEFJLZXIHB-RKDXNWHRSA-N 0 1 231.248 1.010 20 5 BDBDMN CC(C)C[C@H](C)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673053 583421175 /nfs/dbraw/zinc/42/11/75/583421175.db2.gz HMVJHWNRKWFVLV-IVZWLZJFSA-N 0 1 229.276 1.877 20 5 BDBDMN O=C(OC[C@H]1Cc2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000840673118 583421589 /nfs/dbraw/zinc/42/15/89/583421589.db2.gz HPDSXWNFZHSTPX-YUSALJHKSA-N 0 1 247.250 1.535 20 5 BDBDMN O=C(OC[C@@H]1C[C@H]1C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000870671217 583925362 /nfs/dbraw/zinc/92/53/62/583925362.db2.gz OINVSZJWXQAPCN-AXTSPUMRSA-N 0 1 225.244 1.241 20 5 BDBDMN O=[N+]([O-])CCNCc1ccc(OC(F)F)cc1 ZINC000899859472 584242686 /nfs/dbraw/zinc/24/26/86/584242686.db2.gz KHBNDODUEPWXEH-UHFFFAOYSA-N 0 1 246.213 1.654 20 5 BDBDMN CCc1ccc(CNCC[N+](=O)[O-])s1 ZINC000899871068 584244846 /nfs/dbraw/zinc/24/48/46/584244846.db2.gz NBESCAJFDMFYLR-UHFFFAOYSA-N 0 1 214.290 1.677 20 5 BDBDMN O=[N+]([O-])c1ccc(O)cc1CSC1COC1 ZINC000901633787 584472335 /nfs/dbraw/zinc/47/23/35/584472335.db2.gz KNHXDEFFRLJDHT-UHFFFAOYSA-N 0 1 241.268 1.932 20 5 BDBDMN O=[N+]([O-])c1ccc(O)cc1CN1CC=CCN1 ZINC000903489376 584780695 /nfs/dbraw/zinc/78/06/95/584780695.db2.gz PLMNXOBUHRLEQV-UHFFFAOYSA-N 0 1 235.243 1.177 20 5 BDBDMN C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CCN1C ZINC000761076098 584908943 /nfs/dbraw/zinc/90/89/43/584908943.db2.gz HWNSWHRWBVPBLQ-LLVKDONJSA-N 0 1 249.314 1.731 20 5 BDBDMN CCOCCCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000735598729 584979865 /nfs/dbraw/zinc/97/98/65/584979865.db2.gz AJQUPJYNZOHVDF-UHFFFAOYSA-N 0 1 242.231 1.506 20 5 BDBDMN C[C@@H](c1ccccc1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839467041 585104826 /nfs/dbraw/zinc/10/48/26/585104826.db2.gz NTSAFLNVOHRGSE-MVWJERBFSA-N 0 1 248.282 1.871 20 5 BDBDMN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1C ZINC000839472615 585105112 /nfs/dbraw/zinc/10/51/12/585105112.db2.gz CPDQULPEDRNWBA-NZHYYXIDSA-N 0 1 240.303 1.593 20 5 BDBDMN O=C(Nc1ccc2[nH]ccc2c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839498942 585105653 /nfs/dbraw/zinc/10/56/53/585105653.db2.gz RWILDLODDPBBMV-MWLCHTKSSA-N 0 1 245.238 1.772 20 5 BDBDMN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839508170 585105688 /nfs/dbraw/zinc/10/56/88/585105688.db2.gz FIOQWSPCRYQKHC-YUSALJHKSA-N 0 1 248.282 1.837 20 5 BDBDMN C[C@H]1CCCC[C@@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839578280 585331089 /nfs/dbraw/zinc/33/10/89/585331089.db2.gz YLMYYPOODKAIDA-LNFKQOIKSA-N 0 1 240.303 1.594 20 5 BDBDMN CC[C@H]1CCC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839690633 585335372 /nfs/dbraw/zinc/33/53/72/585335372.db2.gz FAOIJZRISRPHLF-LNFKQOIKSA-N 0 1 240.303 1.737 20 5 BDBDMN CC[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839690630 585335410 /nfs/dbraw/zinc/33/54/10/585335410.db2.gz FAOIJZRISRPHLF-GWOFURMSSA-N 0 1 240.303 1.737 20 5 BDBDMN C[C@H]1c2ccccc2CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839695610 585335465 /nfs/dbraw/zinc/33/54/65/585335465.db2.gz JGPJXJOHGRVVTI-XXILOJSOSA-N 0 1 246.266 1.755 20 5 BDBDMN C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839696355 585335558 /nfs/dbraw/zinc/33/55/58/585335558.db2.gz KDGNVUGTRWIXIV-QGKZMRNZSA-N 0 1 240.303 1.593 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N(CC1CC1)CC1CC1 ZINC000839682606 585337205 /nfs/dbraw/zinc/33/72/05/585337205.db2.gz FXSWQDUDMSTNLX-GHMZBOCLSA-N 0 1 238.287 1.300 20 5 BDBDMN O=C(Nc1ccsc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839684166 585337228 /nfs/dbraw/zinc/33/72/28/585337228.db2.gz IBJBFCXDVSOLTE-RNFRBKRXSA-N 0 1 212.230 1.352 20 5 BDBDMN C[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCS1 ZINC000839737497 585337349 /nfs/dbraw/zinc/33/73/49/585337349.db2.gz VGULJFFREHSXDS-IWSPIJDZSA-N 0 1 244.316 1.006 20 5 BDBDMN Cc1ccc(CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])nc1 ZINC000839735363 585337464 /nfs/dbraw/zinc/33/74/64/585337464.db2.gz ZNIYMUGVBCQUES-GHMZBOCLSA-N 0 1 249.270 1.014 20 5 BDBDMN C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H]1C ZINC000839725893 585338714 /nfs/dbraw/zinc/33/87/14/585338714.db2.gz LPXOSGXWVJXQGC-RCZSTQMZSA-N 0 1 240.303 1.593 20 5 BDBDMN C[C@@H](CCC1CC1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839727910 585338874 /nfs/dbraw/zinc/33/88/74/585338874.db2.gz GVUWWUUJTVDCII-FXBDTBDDSA-N 0 1 226.276 1.347 20 5 BDBDMN CC[C@@H]1[C@@H](C)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839728396 585338886 /nfs/dbraw/zinc/33/88/86/585338886.db2.gz LWNQRMLRGVHJGD-SGIHWFKDSA-N 0 1 226.276 1.299 20 5 BDBDMN CCC1(CC)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839777686 585341365 /nfs/dbraw/zinc/34/13/65/585341365.db2.gz LDZZZRRHTJSGEK-RKDXNWHRSA-N 0 1 226.276 1.300 20 5 BDBDMN CC(C)(CNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCC1 ZINC000839783702 585342041 /nfs/dbraw/zinc/34/20/41/585342041.db2.gz UCQPKNUUXVORQB-NXEZZACHSA-N 0 1 240.303 1.594 20 5 BDBDMN O=C(OC1CCOCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000764770024 585473028 /nfs/dbraw/zinc/47/30/28/585473028.db2.gz UYIRXAGXJARSLB-UHFFFAOYSA-N 0 1 240.215 1.259 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H](C2CCC2)C1 ZINC000839947072 586272383 /nfs/dbraw/zinc/27/23/83/586272383.db2.gz GVADXXXNBOUJPH-GMTAPVOTSA-N 0 1 238.287 1.300 20 5 BDBDMN C[C@]1(OC(=O)c2ccc([N+](=O)[O-])[nH]2)CCOC1 ZINC000802902690 586321525 /nfs/dbraw/zinc/32/15/25/586321525.db2.gz JIBPJWQLGUQWIL-JTQLQIEISA-N 0 1 240.215 1.259 20 5 BDBDMN C[C@@H](C1CC1)N(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000840263340 586583188 /nfs/dbraw/zinc/58/31/88/586583188.db2.gz OUKBGOJILYVUQJ-WHGOUJPWSA-N 0 1 238.287 1.441 20 5 BDBDMN CC[C@H](C(=O)O[C@@H](C)C[N+](=O)[O-])N(CC)CC ZINC000814039340 586612399 /nfs/dbraw/zinc/61/23/99/586612399.db2.gz NWPNNHFZBXCFDM-VHSXEESVSA-N 0 1 246.307 1.315 20 5 BDBDMN C[C@H](C[N+](=O)[O-])OC(=O)c1ccc2cncn2c1 ZINC000814048266 586613188 /nfs/dbraw/zinc/61/31/88/586613188.db2.gz IZAHDFBBNKDDBJ-MRVPVSSYSA-N 0 1 249.226 1.156 20 5 BDBDMN O=C(NCCC1CC=CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000831423942 587605853 /nfs/dbraw/zinc/60/58/53/587605853.db2.gz WTPWZPQXLJYKTN-NXEZZACHSA-N 0 1 224.260 1.124 20 5 BDBDMN CS[C@H](C)COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000835679416 587811994 /nfs/dbraw/zinc/81/19/94/587811994.db2.gz JKAWEZVFKFCUFE-ZCFIWIBFSA-N 0 1 244.272 1.831 20 5 BDBDMN Cc1cnc(COC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC000840670681 587915760 /nfs/dbraw/zinc/91/57/60/587915760.db2.gz VEUWHOASYGKZRR-RNFRBKRXSA-N 0 1 242.256 1.160 20 5 BDBDMN O=C(OC1CCCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000841002395 587934609 /nfs/dbraw/zinc/93/46/09/587934609.db2.gz OPQWCQMKUYDJPL-NXEZZACHSA-N 0 1 227.260 1.918 20 5 BDBDMN Cc1ccc(COC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC000841146448 587947604 /nfs/dbraw/zinc/94/76/04/587947604.db2.gz QHPBSFVGGRXXCL-RKDXNWHRSA-N 0 1 241.268 1.765 20 5 BDBDMN C[C@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000842345858 588020277 /nfs/dbraw/zinc/02/02/77/588020277.db2.gz PYKAZYDRWFSYDW-FTLITQJKSA-N 0 1 213.233 1.241 20 5 BDBDMN CS[C@H](C)[C@@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842345730 588020341 /nfs/dbraw/zinc/02/03/41/588020341.db2.gz AUXYYTHEUUQOPV-WCTZXXKLSA-N 0 1 233.289 1.335 20 5 BDBDMN CC(C)C1(COC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000842351730 588020464 /nfs/dbraw/zinc/02/04/64/588020464.db2.gz PITFGLZRMCRZAO-RKDXNWHRSA-N 0 1 227.260 1.631 20 5 BDBDMN CCC[C@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])OC ZINC000842374426 588022563 /nfs/dbraw/zinc/02/25/63/588022563.db2.gz VUZYQFXGMKNEKM-IWSPIJDZSA-N 0 1 231.248 1.010 20 5 BDBDMN C[C@]1(COC(=O)[C@@H]2CC2[N+](=O)[O-])CCCOC1 ZINC000861049820 589141123 /nfs/dbraw/zinc/14/11/23/589141123.db2.gz SZAZLHLCBYLYBL-KKZNHRDASA-N 0 1 243.259 1.012 20 5 BDBDMN O=C(N[C@@]12C[C@@H]1CCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000870536533 589672242 /nfs/dbraw/zinc/67/22/42/589672242.db2.gz QPOFSGOXRPKYPC-SJQPAMGKSA-N 0 1 224.260 1.101 20 5 BDBDMN O=[N+]([O-])CCN1CC2(CCOCC2)[C@H]1C1CC1 ZINC000899887420 637149564 /nfs/dbraw/zinc/14/95/64/637149564.db2.gz SXYGKVOBDWAVFA-LLVKDONJSA-N 0 1 240.303 1.154 20 5 BDBDMN C[C@@H](COc1cccc(F)c1)NCC[N+](=O)[O-] ZINC000905059573 637594475 /nfs/dbraw/zinc/59/44/75/637594475.db2.gz OIRXKDMILPRALC-VIFPVBQESA-N 0 1 242.250 1.459 20 5 BDBDMN CC[C@@H](CC(F)(F)F)NCC[N+](=O)[O-] ZINC000905215195 637700442 /nfs/dbraw/zinc/70/04/42/637700442.db2.gz ZLXWZSDQGAROAN-LURJTMIESA-N 0 1 214.187 1.584 20 5 BDBDMN CO[C@@](C)(CNCC[N+](=O)[O-])c1ccccc1 ZINC000905273448 637732379 /nfs/dbraw/zinc/73/23/79/637732379.db2.gz OYSJWILTVSHODW-LBPRGKRZSA-N 0 1 238.287 1.415 20 5 BDBDMN O=[N+]([O-])CCNC[C@@H](O)c1ccccc1Cl ZINC000905340913 637782210 /nfs/dbraw/zinc/78/22/10/637782210.db2.gz JTDJYJKVRHLLQV-SNVBAGLBSA-N 0 1 244.678 1.240 20 5 BDBDMN Cc1cc(CO)cc(C)c1CNCC[N+](=O)[O-] ZINC000905538750 637838696 /nfs/dbraw/zinc/83/86/96/637838696.db2.gz AWZYGFFIEMAUEC-UHFFFAOYSA-N 0 1 238.287 1.162 20 5 BDBDMN O=c1[nH]cc(CNCC[N+](=O)[O-])c2ccccc12 ZINC000905532844 637845762 /nfs/dbraw/zinc/84/57/62/637845762.db2.gz LNFSKVYUJYOOTO-UHFFFAOYSA-N 0 1 247.254 1.307 20 5 BDBDMN C[C@H]1CCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000905975247 637991955 /nfs/dbraw/zinc/99/19/55/637991955.db2.gz PYNMUXPDVVKSHW-JOYOIKCWSA-N 0 1 236.271 1.722 20 5 BDBDMN O=[N+]([O-])CCN[C@@H](CCCO)c1ccccc1 ZINC000930229278 639643502 /nfs/dbraw/zinc/64/35/02/639643502.db2.gz ZFLOOLANFYMNGK-LBPRGKRZSA-N 0 1 238.287 1.367 20 5 BDBDMN CN1CCC[C@H](NCC[N+](=O)[O-])c2ccccc21 ZINC000930654144 639846453 /nfs/dbraw/zinc/84/64/53/639846453.db2.gz CGFQGVPBTNJJEQ-LBPRGKRZSA-N 0 1 249.314 1.824 20 5 BDBDMN O=[N+]([O-])CCN1C[C@H](O)C[C@H]1c1ccccc1 ZINC000930714334 639874921 /nfs/dbraw/zinc/87/49/21/639874921.db2.gz DENPJCLBBWVANX-NEPJUHHUSA-N 0 1 236.271 1.071 20 5 BDBDMN O=[N+]([O-])CCN1CCSC[C@@H]1C1CCC1 ZINC000930745156 639892202 /nfs/dbraw/zinc/89/22/02/639892202.db2.gz RNKRUELDGSOQHW-SNVBAGLBSA-N 0 1 230.333 1.481 20 5 BDBDMN O=[N+]([O-])CCN1CC2CC1(c1ccccc1)C2 ZINC000931079343 640062647 /nfs/dbraw/zinc/06/26/47/640062647.db2.gz OKVITELMSNJBMS-UHFFFAOYSA-N 0 1 232.283 1.884 20 5 BDBDMN C[C@@H](CO)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443413 641150371 /nfs/dbraw/zinc/15/03/71/641150371.db2.gz NQIWLMRGBOLHNY-ZETCQYMHSA-N 0 1 244.678 1.719 20 5 BDBDMN O=C(OC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])[nH]1 ZINC000919668485 642368804 /nfs/dbraw/zinc/36/88/04/642368804.db2.gz HVZBYYUBFGTBOZ-ZETCQYMHSA-N 0 1 240.215 1.259 20 5 BDBDMN O=C(OCC1CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000919665991 642371077 /nfs/dbraw/zinc/37/10/77/642371077.db2.gz YZMLEDPQRXOXLN-UHFFFAOYSA-N 0 1 210.189 1.490 20 5 BDBDMN Cc1cc(C2CCN(CC[N+](=O)[O-])CC2)[nH]n1 ZINC000930172376 646472322 /nfs/dbraw/zinc/47/23/22/646472322.db2.gz CDCDJKUGMGVJNC-UHFFFAOYSA-N 0 1 238.291 1.174 20 5 BDBDMN O=[N+]([O-])c1ccccc1CN[C@@H]1CC12CC(O)C2 ZINC000724930512 711630462 /nfs/dbraw/zinc/63/04/62/711630462.db2.gz FQCZMADPYIBASQ-YXMLORGKSA-N 0 1 248.282 1.598 20 5 BDBDMN CC[C@@H](C)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840670196 711766904 /nfs/dbraw/zinc/76/69/04/711766904.db2.gz OUZIGSUJBTYHQT-BWZBUEFSSA-N 0 1 201.222 1.241 20 5 BDBDMN O=[N+]([O-])C[C@H]1CC[C@H](NCC(F)F)C1 ZINC001168958050 969306728 /nfs/dbraw/zinc/30/67/28/969306728.db2.gz LGTSCEPEOMCZKK-BQBZGAKWSA-N 0 1 208.208 1.287 20 5 BDBDMN O=[N+]([O-])CCNCc1ccc2c(c1)CCC2 ZINC001336063371 977473761 /nfs/dbraw/zinc/47/37/61/977473761.db2.gz UHWHRQYNRYHRTB-UHFFFAOYSA-N 0 1 220.272 1.542 20 5 BDBDMN CC[C@H](C[N+](=O)[O-])OC(=O)[C@H](C(C)C)N(C)C ZINC001345689662 980671963 /nfs/dbraw/zinc/67/19/63/980671963.db2.gz LXLOGEOAYWROBC-ZJUUUORDSA-N 0 1 246.307 1.171 20 5 BDBDMN CC[C@@H](C[N+](=O)[O-])OC(=O)[C@@H](C(C)C)N(C)C ZINC001346197459 980782172 /nfs/dbraw/zinc/78/21/72/980782172.db2.gz LXLOGEOAYWROBC-VHSXEESVSA-N 0 1 246.307 1.171 20 5 BDBDMN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCOCC23CC3)C1 ZINC001169040054 969358827 /nfs/dbraw/zinc/35/88/27/969358827.db2.gz XHCYDSOFLSBIBC-GHMZBOCLSA-N 0 1 240.303 1.297 20 5 BDBDMN O=[N+]([O-])C[C@H]1CC[C@H](N2C[C@H]3CC[C@@H]2CO3)C1 ZINC001169053892 969372404 /nfs/dbraw/zinc/37/24/04/969372404.db2.gz JZCNXSPKJXRHOK-NNYUYHANSA-N 0 1 240.303 1.295 20 5 BDBDMN O=[N+]([O-])c1ccc(O)cc1OC[C@H]1COCO1 ZINC001225491869 974526914 /nfs/dbraw/zinc/52/69/14/974526914.db2.gz SYTAXDRJQZAHES-MRVPVSSYSA-N 0 1 241.199 1.052 20 5 BDBDMN CN1CCC[C@@H](Oc2ncccc2[N+](=O)[O-])C1 ZINC001225593760 974579213 /nfs/dbraw/zinc/57/92/13/974579213.db2.gz XYRLXWMJCQPKEX-SECBINFHSA-N 0 1 237.259 1.463 20 5 BDBDMN CN1CC[C@@H](Oc2ncc(F)cc2[N+](=O)[O-])C1 ZINC001226755207 975059943 /nfs/dbraw/zinc/05/99/43/975059943.db2.gz KFYNNEQWNYMCRX-MRVPVSSYSA-N 0 1 241.222 1.212 20 5 BDBDMN Cc1ccc([N+](=O)[O-])c(O[C@H]2CCN(C)C2)n1 ZINC001227062237 975249375 /nfs/dbraw/zinc/24/93/75/975249375.db2.gz JWSPJXVCMIXIBE-VIFPVBQESA-N 0 1 237.259 1.381 20 5 BDBDMN O=[N+]([O-])[C@@H]1C[C@H]1c1nnc(-c2cccnc2)o1 ZINC001333090800 975408308 /nfs/dbraw/zinc/40/83/08/975408308.db2.gz CCPKSFIFNPDUEF-HTQZYQBOSA-N 0 1 232.199 1.264 20 5 BDBDMN CO[C@H](C)COc1nc(C)cc(O)c1[N+](=O)[O-] ZINC001231259953 977548791 /nfs/dbraw/zinc/54/87/91/977548791.db2.gz QIQYWUUKEHMRIO-SSDOTTSWSA-N 0 1 242.231 1.418 20 5 BDBDMN Nc1cncn1-c1cc([N+](=O)[O-])ccc1F ZINC001175733710 977672074 /nfs/dbraw/zinc/67/20/74/977672074.db2.gz HTGRFGPIYAHAPC-UHFFFAOYSA-N 0 1 222.179 1.502 20 5 BDBDMN O=[N+]([O-])CCN1CCC([C@H]2CCOC2)CC1 ZINC001351275721 982261607 /nfs/dbraw/zinc/26/16/07/982261607.db2.gz YYXUQPWHZDMAPU-NSHDSACASA-N 0 1 228.292 1.012 20 5 BDBDMN O=[N+]([O-])c1cn(C2CCCC2)nc1-c1nn[nH]n1 ZINC001593486768 983286692 /nfs/dbraw/zinc/28/66/92/983286692.db2.gz LFALNBICKBUTBE-UHFFFAOYSA-N 0 1 249.234 1.087 20 5 BDBDMN COCCC[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001516999059 989192344 /nfs/dbraw/zinc/19/23/44/989192344.db2.gz XQLWZOMSPKRSNY-DJLDLDEBSA-N 0 1 231.248 1.010 20 5 BDBDMN Cc1[nH]ncc1CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000073000294 178170874 /nfs/dbraw/zinc/17/08/74/178170874.db2.gz FTRKDVQWJJBSBC-UHFFFAOYSA-N 0 1 247.258 1.942 20 5 BDBDMN CC[N@@H+](CC(=O)[O-])Cc1ccccc1[N+](=O)[O-] ZINC000038017894 361813794 /nfs/dbraw/zinc/81/37/94/361813794.db2.gz RWHZVVMIUDCCEB-UHFFFAOYSA-N 0 1 238.243 1.501 20 5 BDBDMN Cc1cc([N+](=O)[O-])ccc1CN1CCN(C)CC1 ZINC000183207039 178271419 /nfs/dbraw/zinc/27/14/19/178271419.db2.gz RYRIFVLJWKLXTF-UHFFFAOYSA-N 0 1 249.314 1.651 20 5 BDBDMN Cc1cc([N+](=O)[O-])cnc1NOCC(C)(C)O ZINC000278467440 178275323 /nfs/dbraw/zinc/27/53/23/178275323.db2.gz CFOFZMJYYIEVCH-UHFFFAOYSA-N 0 1 241.247 1.413 20 5 BDBDMN Cc1cc([N+](=O)[O-])c[nH]c1=NOCC(C)(C)O ZINC000278467440 178275324 /nfs/dbraw/zinc/27/53/24/178275324.db2.gz CFOFZMJYYIEVCH-UHFFFAOYSA-N 0 1 241.247 1.413 20 5 BDBDMN Cc1cc(CNc2ccc([N+](=O)[O-])cn2)n[nH]1 ZINC000609595819 342887896 /nfs/dbraw/zinc/88/78/96/342887896.db2.gz RWYZJCMWGZQMGL-UHFFFAOYSA-N 0 1 233.231 1.055 20 5 BDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC=CCC1 ZINC000611559636 344755603 /nfs/dbraw/zinc/75/56/03/344755603.db2.gz XBKXCMUVORVBGK-UHFFFAOYSA-N 0 1 248.238 1.703 20 5 BDBDMN CCc1nc(CNc2ccc([N+](=O)[O-])cn2)n[nH]1 ZINC000294902013 346318859 /nfs/dbraw/zinc/31/88/59/346318859.db2.gz IHCXIJIOFBRPQN-UHFFFAOYSA-N 0 1 248.246 1.282 20 5 BDBDMN CC(C)(F)CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000598197867 348907533 /nfs/dbraw/zinc/90/75/33/348907533.db2.gz CGGPYIRVTTXFME-UHFFFAOYSA-N 0 1 244.226 1.186 20 5 BDBDMN O=C(NCC1=CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000598377653 348951964 /nfs/dbraw/zinc/95/19/64/348951964.db2.gz YIHWVUOCZLQBNJ-UHFFFAOYSA-N 0 1 236.231 1.158 20 5 BDBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](O)C1 ZINC000072634576 351327994 /nfs/dbraw/zinc/32/79/94/351327994.db2.gz OHIDJZQBIRLFKQ-VHSXEESVSA-N 0 1 236.271 1.722 20 5 BDBDMN O=[N+]([O-])c1cc(F)ccc1NCCN1CCC1 ZINC000443891313 193031940 /nfs/dbraw/zinc/03/19/40/193031940.db2.gz ZXAXLLVPGZWOMF-UHFFFAOYSA-N 0 1 239.250 1.852 20 5 BDBDMN CCO[C@@H]1C[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000581586976 367614021 /nfs/dbraw/zinc/61/40/21/367614021.db2.gz FPBCHJLUDBXLKE-NWDGAFQWSA-N 0 1 236.271 1.862 20 5 BDBDMN C[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])CO1 ZINC000401952629 369375690 /nfs/dbraw/zinc/37/56/90/369375690.db2.gz VVUCSGPXUWRNEQ-GXSJLCMTSA-N 0 1 236.271 1.862 20 5 BDBDMN Cc1[nH]ncc1CN(C)c1ccc([N+](=O)[O-])cn1 ZINC000601182708 371735813 /nfs/dbraw/zinc/73/58/13/371735813.db2.gz YMBBKVYPNTVUBS-UHFFFAOYSA-N 0 1 247.258 1.658 20 5 BDBDMN Cn1cc(CN2C3CCC2CC3)c([N+](=O)[O-])n1 ZINC000602434366 371803330 /nfs/dbraw/zinc/80/33/30/371803330.db2.gz DIGSXAASXPTOOQ-UHFFFAOYSA-N 0 1 236.275 1.455 20 5 BDBDMN CC[C@H](C)N(CC)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602885390 371852214 /nfs/dbraw/zinc/85/22/14/371852214.db2.gz VHILDTVHNQXFHR-VIFPVBQESA-N 0 1 240.307 1.949 20 5 BDBDMN Cn1cc(CN2CC3CC2(C)C3)c([N+](=O)[O-])n1 ZINC000602903384 371855237 /nfs/dbraw/zinc/85/52/37/371855237.db2.gz RWMINAXFJVAXOJ-UHFFFAOYSA-N 0 1 236.275 1.313 20 5 BDBDMN CN1CCCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000604408791 371974443 /nfs/dbraw/zinc/97/44/43/371974443.db2.gz OHVMSAAGKJZSCJ-UHFFFAOYSA-N 0 1 241.316 1.798 20 5 BDBDMN O=[N+]([O-])c1cc(CN[C@H]2CCCOC2)cs1 ZINC000071012351 182922044 /nfs/dbraw/zinc/92/20/44/182922044.db2.gz AYHPDEWOXRLNDN-VIFPVBQESA-N 0 1 242.300 1.925 20 5 BDBDMN C[C@@]1(NCc2csc([N+](=O)[O-])c2)CCOC1 ZINC000120180771 384725212 /nfs/dbraw/zinc/72/52/12/384725212.db2.gz AVCSMOCMMDEABN-SNVBAGLBSA-N 0 1 242.300 1.925 20 5 BDBDMN CC[C@@H](C)[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000119179050 384861556 /nfs/dbraw/zinc/86/15/56/384861556.db2.gz MEBFKOFPJVVIQX-RQJHMYQMSA-N 0 1 240.263 1.482 20 5 BDBDMN O=[N+]([O-])c1ccc(NCCN2CC=CCC2)cn1 ZINC000338713302 385269985 /nfs/dbraw/zinc/26/99/85/385269985.db2.gz QCBFMELTNBKVFQ-UHFFFAOYSA-N 0 1 248.286 1.664 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CCC2)C1 ZINC000366131700 386580209 /nfs/dbraw/zinc/58/02/09/386580209.db2.gz MFMMEVMVAQVLBJ-BDAKNGLRSA-N 0 1 224.260 1.054 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CCC2)C1 ZINC000366131704 386581505 /nfs/dbraw/zinc/58/15/05/386581505.db2.gz MFMMEVMVAQVLBJ-RKDXNWHRSA-N 0 1 224.260 1.054 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC2(CCC2)C1 ZINC000369617228 387228382 /nfs/dbraw/zinc/22/83/82/387228382.db2.gz ZDCKHHPVVXCJNU-NXEZZACHSA-N 0 1 238.287 1.444 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC2)CC1 ZINC000369768453 387591562 /nfs/dbraw/zinc/59/15/62/387591562.db2.gz WWDQKQLGVWCNEV-BDAKNGLRSA-N 0 1 224.260 1.054 20 5 BDBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC12CCCCC2 ZINC000373005288 388085941 /nfs/dbraw/zinc/08/59/41/388085941.db2.gz DZKHBLRJVTYZPK-UWVGGRQHSA-N 0 1 238.287 1.587 20 5 BDBDMN O=[N+]([O-])c1ccc(NCCCc2nc[nH]n2)nc1 ZINC000080588238 388712074 /nfs/dbraw/zinc/71/20/74/388712074.db2.gz PBCYZMRJCQGIRY-UHFFFAOYSA-N 0 1 248.246 1.153 20 5 BDBDMN CN(Cc1cccc([N+](=O)[O-])c1)C1CC(O)C1 ZINC000332426441 388789095 /nfs/dbraw/zinc/78/90/95/388789095.db2.gz FJZXMJSLUXYUMX-UHFFFAOYSA-N 0 1 236.271 1.550 20 5 BDBDMN O=[N+]([O-])c1cc(CN[C@H]2CCOC2)cs1 ZINC000087784744 135169899 /nfs/dbraw/zinc/16/98/99/135169899.db2.gz ABOMLUBBJPLKMQ-QMMMGPOBSA-N 0 1 228.273 1.535 20 5 BDBDMN Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C ZINC000103075162 168133704 /nfs/dbraw/zinc/13/37/04/168133704.db2.gz ABNPYMUCTRDXSB-ZETCQYMHSA-N 0 1 233.227 1.953 20 5 BDBDMN CC[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(C)C ZINC000270676514 170886410 /nfs/dbraw/zinc/88/64/10/170886410.db2.gz RHBBWFMNYFXBJH-SSDOTTSWSA-N 0 1 240.263 1.482 20 5 BDBDMN CN1CCC[C@@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000193859101 173033785 /nfs/dbraw/zinc/03/37/85/173033785.db2.gz MHQHENXRPUEWCF-SSDOTTSWSA-N 0 1 242.304 1.557 20 5 BDBDMN COCCN(C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000271034306 174280730 /nfs/dbraw/zinc/28/07/30/174280730.db2.gz IJYMMKGROIVJRM-UHFFFAOYSA-N 0 1 238.287 1.981 20 5 BDBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(F)(F)F ZINC000841134393 587946885 /nfs/dbraw/zinc/94/68/85/587946885.db2.gz PPPCDJXCTSNDJN-VPENINKCSA-N 0 1 227.138 1.146 20 5 BDBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccncc1 ZINC000840671242 583407122 /nfs/dbraw/zinc/40/71/22/583407122.db2.gz RMTLHHNVGOPWNH-FXBDTBDDSA-N 0 1 236.227 1.351 20 5 BDBDMN C[C@H]1C[C@H](COC(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000840672620 583417467 /nfs/dbraw/zinc/41/74/67/583417467.db2.gz DKDYLJTZJAYPMF-SGIHWFKDSA-N 0 1 243.259 1.010 20 5 BDBDMN C[C@@H]1C[C@H](COC(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000840672639 583417989 /nfs/dbraw/zinc/41/79/89/583417989.db2.gz DKDYLJTZJAYPMF-ZYUZMQFOSA-N 0 1 243.259 1.010 20 5 BDBDMN CC(C)C[C@@H](C)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673070 583420850 /nfs/dbraw/zinc/42/08/50/583420850.db2.gz HMVJHWNRKWFVLV-OPRDCNLKSA-N 0 1 229.276 1.877 20 5 BDBDMN O=[N+]([O-])c1cc(CNC[C@H]2COCO2)cs1 ZINC000894870466 583539684 /nfs/dbraw/zinc/53/96/84/583539684.db2.gz JVWHMYTZBOBVHL-QMMMGPOBSA-N 0 1 244.272 1.119 20 5 BDBDMN C[C@@H](CO)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872037475 583944482 /nfs/dbraw/zinc/94/44/82/583944482.db2.gz BXHJGYOGQRDXGC-YUMQZZPRSA-N 0 1 242.250 1.765 20 5 BDBDMN C[C@H]1CC=CC[C@@H]1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841004005 584003429 /nfs/dbraw/zinc/00/34/29/584003429.db2.gz JUBOTWFRHNOMAJ-LNFKQOIKSA-N 0 1 239.271 1.797 20 5 BDBDMN Cc1[nH]nc(C(=O)N(C)CCCF)c1[N+](=O)[O-] ZINC000899815901 584240825 /nfs/dbraw/zinc/24/08/25/584240825.db2.gz HVVOSGJIQAWMMV-UHFFFAOYSA-N 0 1 244.226 1.058 20 5 BDBDMN Cc1ccc(CNCC[N+](=O)[O-])c(C)c1 ZINC000899870938 584244760 /nfs/dbraw/zinc/24/47/60/584244760.db2.gz LYDZKBWZXRLRRS-UHFFFAOYSA-N 0 1 208.261 1.670 20 5 BDBDMN COCc1cccc(CNCC[N+](=O)[O-])c1 ZINC000899870190 584244818 /nfs/dbraw/zinc/24/48/18/584244818.db2.gz FKHQQQWRNWNNLX-UHFFFAOYSA-N 0 1 224.260 1.199 20 5 BDBDMN O=[N+]([O-])CCNCCOc1ccc(F)cc1 ZINC000899865836 584245469 /nfs/dbraw/zinc/24/54/69/584245469.db2.gz KKDPAEJFOXSRCF-UHFFFAOYSA-N 0 1 228.223 1.071 20 5 BDBDMN O=C(NCc1ccc(Cl)o1)[C@@H]1CC1[N+](=O)[O-] ZINC000839487217 585105061 /nfs/dbraw/zinc/10/50/61/585105061.db2.gz KCKCHSHWKPOZQJ-RNFRBKRXSA-N 0 1 244.634 1.214 20 5 BDBDMN CC(=O)CCCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000752204060 585243611 /nfs/dbraw/zinc/24/36/11/585243611.db2.gz YXWBUIOIDYMCET-UHFFFAOYSA-N 0 1 240.215 1.449 20 5 BDBDMN Cc1cccc(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839617522 585332494 /nfs/dbraw/zinc/33/24/94/585332494.db2.gz PAPYGTMPKXWWCX-VXGBXAGGSA-N 0 1 248.282 1.319 20 5 BDBDMN CCN(Cc1ccoc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839624441 585332781 /nfs/dbraw/zinc/33/27/81/585332781.db2.gz DWPNLBLAYBYVGS-NXEZZACHSA-N 0 1 238.243 1.293 20 5 BDBDMN C[C@@H]1CC[C@@H](C)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839695114 585335471 /nfs/dbraw/zinc/33/54/71/585335471.db2.gz YTEDPKHYELQKGZ-ZYUZMQFOSA-N 0 1 226.276 1.299 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C2CCCC1CCC2 ZINC000839694511 585335773 /nfs/dbraw/zinc/33/57/73/585335773.db2.gz XNZKMEQZOQHOQF-JPPWEJMLSA-N 0 1 238.287 1.585 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C(F)F)CC1 ZINC000839706572 585337844 /nfs/dbraw/zinc/33/78/44/585337844.db2.gz XWERNVQUFUZJRI-HTQZYQBOSA-N 0 1 248.229 1.155 20 5 BDBDMN O=C(NC[C@@H]1CCC(F)(F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839750428 585340222 /nfs/dbraw/zinc/34/02/22/585340222.db2.gz LTSYTNCDNQFFQD-BWZBUEFSSA-N 0 1 248.229 1.203 20 5 BDBDMN CCN(CCC1CC1)Cn1cc([N+](=O)[O-])cn1 ZINC000760537108 585393941 /nfs/dbraw/zinc/39/39/41/585393941.db2.gz BKEWRGPAQPXPER-UHFFFAOYSA-N 0 1 238.291 1.871 20 5 BDBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc[nH]1 ZINC000765336380 585483977 /nfs/dbraw/zinc/48/39/77/585483977.db2.gz LRQSGQXDADECIE-ZCFIWIBFSA-N 0 1 249.230 1.137 20 5 BDBDMN CC(C)C(=O)COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000802248557 586300004 /nfs/dbraw/zinc/30/00/04/586300004.db2.gz SBYHJEIKYOATFB-UHFFFAOYSA-N 0 1 240.215 1.305 20 5 BDBDMN CC1(C2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000840473323 587181975 /nfs/dbraw/zinc/18/19/75/587181975.db2.gz NNHRRRTYKVDEBJ-HTQZYQBOSA-N 0 1 224.260 1.101 20 5 BDBDMN O=C(NCCC[C@H]1C=CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000834317848 587751474 /nfs/dbraw/zinc/75/14/74/587751474.db2.gz RXLNMLOTBUHUJY-HBNTYKKESA-N 0 1 238.287 1.514 20 5 BDBDMN COC(C)(C)COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000835501246 587805938 /nfs/dbraw/zinc/80/59/38/587805938.db2.gz DJYQFTDCPIUCMA-UHFFFAOYSA-N 0 1 242.231 1.505 20 5 BDBDMN CCC(CC)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672696 587915474 /nfs/dbraw/zinc/91/54/74/587915474.db2.gz DVAMOTLBYIWZEK-HTQZYQBOSA-N 0 1 201.222 1.383 20 5 BDBDMN CC(F)(F)CCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673855 587916133 /nfs/dbraw/zinc/91/61/33/587916133.db2.gz BHJDHPBDWQGXKC-PHDIDXHHSA-N 0 1 223.175 1.240 20 5 BDBDMN O=C(OCC[C@H]1CCCCO1)[C@@H]1CC1[N+](=O)[O-] ZINC000840673193 587916236 /nfs/dbraw/zinc/91/62/36/587916236.db2.gz JJFFWLMTKOUTQU-OPRDCNLKSA-N 0 1 243.259 1.154 20 5 BDBDMN CCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)(C)C ZINC000841147048 587947392 /nfs/dbraw/zinc/94/73/92/587947392.db2.gz VPZLIOKLGJIDGM-RKDXNWHRSA-N 0 1 228.292 1.689 20 5 BDBDMN CCCC[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842319951 588017370 /nfs/dbraw/zinc/01/73/70/588017370.db2.gz HKYBRZCVUZPJGT-DJLDLDEBSA-N 0 1 215.249 1.774 20 5 BDBDMN C[C@@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000842345859 588020158 /nfs/dbraw/zinc/02/01/58/588020158.db2.gz PYKAZYDRWFSYDW-NBEYISGCSA-N 0 1 213.233 1.241 20 5 BDBDMN CSC1(COC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000842352033 588021149 /nfs/dbraw/zinc/02/11/49/588021149.db2.gz VIBIUJNRTKIYOV-RNFRBKRXSA-N 0 1 231.273 1.090 20 5 BDBDMN O=C(O[C@H]1CCCC[C@@H]1F)[C@@H]1CC1[N+](=O)[O-] ZINC000842363091 588021252 /nfs/dbraw/zinc/02/12/52/588021252.db2.gz XDNBDIOHXNZJBC-XAVMHZPKSA-N 0 1 231.223 1.476 20 5 BDBDMN CO[C@](C)(COC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000842366223 588021719 /nfs/dbraw/zinc/02/17/19/588021719.db2.gz FKZKCGQEPMKQKQ-FXPVBKGRSA-N 0 1 243.259 1.010 20 5 BDBDMN O=C(OCCc1ccco1)[C@@H]1CC1[N+](=O)[O-] ZINC000842451938 588027848 /nfs/dbraw/zinc/02/78/48/588027848.db2.gz NMAWPHZRIDLAOZ-RKDXNWHRSA-N 0 1 225.200 1.031 20 5 BDBDMN O=C(NC1CC2(CCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000846604970 588279296 /nfs/dbraw/zinc/27/92/96/588279296.db2.gz FDEXQZVIGRNZKJ-RKDXNWHRSA-N 0 1 224.260 1.101 20 5 BDBDMN CC(C)n1cc(OC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC000847133421 588307435 /nfs/dbraw/zinc/30/74/35/588307435.db2.gz PWIUVKVXVCKKSZ-RKDXNWHRSA-N 0 1 239.231 1.035 20 5 BDBDMN CCC(F)(F)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000851492972 588608147 /nfs/dbraw/zinc/60/81/47/588608147.db2.gz CTLLVBIOIWKNHS-PHDIDXHHSA-N 0 1 223.175 1.240 20 5 BDBDMN CC(C)(C)[C@H]1C[C@@H]1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000861107558 589146759 /nfs/dbraw/zinc/14/67/59/589146759.db2.gz BVEZJHPSHYARMI-DOLQZWNJSA-N 0 1 241.287 1.877 20 5 BDBDMN C[C@H]1CC(F)(F)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000863009729 589251909 /nfs/dbraw/zinc/25/19/09/589251909.db2.gz IWNHFNNSCIBNBG-XLPZGREQSA-N 0 1 248.229 1.298 20 5 BDBDMN O=C(Oc1ccc2c(c1)CCO2)[C@@H]1CC1[N+](=O)[O-] ZINC000870686222 589683515 /nfs/dbraw/zinc/68/35/15/589683515.db2.gz QKIRJFGTXQIBQP-NXEZZACHSA-N 0 1 249.222 1.192 20 5 BDBDMN C[C@@H](CN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)(C)C ZINC000874590780 590118221 /nfs/dbraw/zinc/11/82/21/590118221.db2.gz AGCSBNSDUIQKSD-IVZWLZJFSA-N 0 1 242.319 1.792 20 5 BDBDMN CC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC(F)(F)C1 ZINC000881527293 591229664 /nfs/dbraw/zinc/22/96/64/591229664.db2.gz KJNIKCOJNOVDSK-RNFRBKRXSA-N 0 1 248.229 1.203 20 5 BDBDMN O=C(OCC[C@@H]1C[C@H]1C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000884551347 591976405 /nfs/dbraw/zinc/97/64/05/591976405.db2.gz XYLGOJNKIRYXQP-LMLFDSFASA-N 0 1 239.271 1.631 20 5 BDBDMN CC(C)(CNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000887370023 592494524 /nfs/dbraw/zinc/49/45/24/592494524.db2.gz CYNYEBKVNQHDSP-RKDXNWHRSA-N 0 1 226.276 1.204 20 5 BDBDMN COC[C@@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC000893463184 634514337 /nfs/dbraw/zinc/51/43/37/634514337.db2.gz XXKLMWQPPBHQMJ-IVZWLZJFSA-N 0 1 245.275 1.113 20 5 BDBDMN O=[N+]([O-])CCNCCOc1cccc(F)c1 ZINC000905034381 637555878 /nfs/dbraw/zinc/55/58/78/637555878.db2.gz JMEDQNNMJWXDNA-UHFFFAOYSA-N 0 1 228.223 1.071 20 5 BDBDMN O=[N+]([O-])CCNCCN1CCCc2ccccc21 ZINC000905065587 637598471 /nfs/dbraw/zinc/59/84/71/637598471.db2.gz IQOXWHYKSPQMEJ-UHFFFAOYSA-N 0 1 249.314 1.306 20 5 BDBDMN O=[N+]([O-])CCN[C@H]1C[C@H]1c1cccc(F)c1 ZINC000905071696 637602945 /nfs/dbraw/zinc/60/29/45/637602945.db2.gz PRCBGEIBZIQYFB-QWRGUYRKSA-N 0 1 224.235 1.548 20 5 BDBDMN O=[N+]([O-])CCNCCOc1ccc(F)cc1F ZINC000905098398 637636550 /nfs/dbraw/zinc/63/65/50/637636550.db2.gz SPQZMIHEPAQQTO-UHFFFAOYSA-N 0 1 246.213 1.210 20 5 BDBDMN C[C@H](NCC[N+](=O)[O-])[C@@H](O)c1ccc(F)cc1 ZINC000905351047 637771273 /nfs/dbraw/zinc/77/12/73/637771273.db2.gz QQWWCCWLEZUQJN-GZMMTYOYSA-N 0 1 242.250 1.114 20 5 BDBDMN Cc1cccc2c1C[C@H](NCC[N+](=O)[O-])CO2 ZINC000905388206 637786953 /nfs/dbraw/zinc/78/69/53/637786953.db2.gz CBZXPHLPPKEIKT-JTQLQIEISA-N 0 1 236.271 1.165 20 5 BDBDMN Cc1cc(C)cc([C@@H](O)CNCC[N+](=O)[O-])c1 ZINC000905368098 637789554 /nfs/dbraw/zinc/78/95/54/637789554.db2.gz OJTDHBPWNRBMAE-LBPRGKRZSA-N 0 1 238.287 1.203 20 5 BDBDMN C/C=C\COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000919668123 642368336 /nfs/dbraw/zinc/36/83/36/642368336.db2.gz GCPKNECIXKQNRU-IHWYPQMZSA-N 0 1 210.189 1.656 20 5 BDBDMN CSCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839729691 644630376 /nfs/dbraw/zinc/63/03/76/644630376.db2.gz VWWAXEJTUACASY-RKDXNWHRSA-N 0 1 246.332 1.301 20 5 BDBDMN C[C@@H]1CN(Cn2cc([N+](=O)[O-])cn2)[C@@H](C)[C@H]1C ZINC000841689308 645224220 /nfs/dbraw/zinc/22/42/20/645224220.db2.gz IZPBMHDKBQAXRJ-UTLUCORTSA-N 0 1 238.291 1.725 20 5 BDBDMN CN(CCc1cccs1)CC[N+](=O)[O-] ZINC000929732190 646277412 /nfs/dbraw/zinc/27/74/12/646277412.db2.gz YUGPQGBCUIYJPS-UHFFFAOYSA-N 0 1 214.290 1.499 20 5 BDBDMN CN1CC[C@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000712593418 712435644 /nfs/dbraw/zinc/43/56/44/712435644.db2.gz DOYASLFSTMXMJY-VIFPVBQESA-N 0 1 222.248 1.106 20 5 BDBDMN CCN1CC[C@@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000712596129 712435774 /nfs/dbraw/zinc/43/57/74/712435774.db2.gz SZCCMIKTDXBJHT-SNVBAGLBSA-N 0 1 236.275 1.496 20 5 BDBDMN Cc1cc(CNc2nc(C)ccc2[N+](=O)[O-])n[nH]1 ZINC000716486514 712565705 /nfs/dbraw/zinc/56/57/05/712565705.db2.gz QVHBVUZWSAKTIA-UHFFFAOYSA-N 0 1 247.258 1.942 20 5 BDBDMN C[C@@H]1CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169005975 969331190 /nfs/dbraw/zinc/33/11/90/969331190.db2.gz DTVWDJRRUCLGFX-OUAUKWLOSA-N 0 1 240.303 1.343 20 5 BDBDMN COC1(C)CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169005997 969329425 /nfs/dbraw/zinc/32/94/25/969329425.db2.gz FBYSSLLCIGWNDT-NXEZZACHSA-N 0 1 228.292 1.153 20 5 BDBDMN O=[N+]([O-])c1ccc(O)cc1OC[C@H]1CCO1 ZINC001225488485 974524463 /nfs/dbraw/zinc/52/44/63/974524463.db2.gz GFINTQMHOQCZMR-MRVPVSSYSA-N 0 1 225.200 1.468 20 5 BDBDMN CC(F)(F)CN[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168960757 969309420 /nfs/dbraw/zinc/30/94/20/969309420.db2.gz GWKYUOFDDSTDEU-SFYZADRCSA-N 0 1 222.235 1.677 20 5 BDBDMN Cc1cnc(CN)n1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168979183 969298608 /nfs/dbraw/zinc/29/86/08/969298608.db2.gz WZCQWXUHUJFNPO-VHSXEESVSA-N 0 1 238.291 1.268 20 5 BDBDMN O=[N+]([O-])c1ccc(O)cc1O[C@@H]1COC[C@H]1F ZINC001225489086 974525867 /nfs/dbraw/zinc/52/58/67/974525867.db2.gz REQQBGSMGJMFNT-GMSGAONNSA-N 0 1 243.190 1.416 20 5 BDBDMN C[C@H]1COC[C@@H]1Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225488556 974526351 /nfs/dbraw/zinc/52/63/51/974526351.db2.gz IDLBDJWKMXQQCX-CPCISQLKSA-N 0 1 239.227 1.714 20 5 BDBDMN O=[N+]([O-])c1ccc(O)cc1OC[C@@H]1COCO1 ZINC001225491879 974527864 /nfs/dbraw/zinc/52/78/64/974527864.db2.gz SYTAXDRJQZAHES-QMMMGPOBSA-N 0 1 241.199 1.052 20 5 BDBDMN Cc1cccc([N+](=O)[O-])c1O[C@H]1CCN(C)C1 ZINC001226968580 975195752 /nfs/dbraw/zinc/19/57/52/975195752.db2.gz GYJNVHBNMJSLPY-JTQLQIEISA-N 0 1 236.271 1.986 20 5 BDBDMN CN(C)c1ccccc1CNCC[N+](=O)[O-] ZINC001335952264 977381828 /nfs/dbraw/zinc/38/18/28/977381828.db2.gz UONUFWLCBPBICQ-UHFFFAOYSA-N 0 1 223.276 1.119 20 5 BDBDMN Cc1cc(NCCc2nc[nH]n2)ncc1[N+](=O)[O-] ZINC000092027326 178162826 /nfs/dbraw/zinc/16/28/26/178162826.db2.gz VUEIZDQOVFKPKJ-UHFFFAOYSA-N 0 1 248.246 1.071 20 5 BDBDMN CC1(C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1C1CC1 ZINC000365689774 346922651 /nfs/dbraw/zinc/92/26/51/346922651.db2.gz RBKAAUMXSPNWPJ-UTLUCORTSA-N 0 1 238.287 1.299 20 5 BDBDMN Cc1cc(CNc2cc(C)c([N+](=O)[O-])cn2)n[nH]1 ZINC000610431248 343963497 /nfs/dbraw/zinc/96/34/97/343963497.db2.gz AWDHVRRXQPFTTF-UHFFFAOYSA-N 0 1 247.258 1.364 20 5 BDBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@H]2C[C@@]2(O)C1 ZINC000603095935 344435466 /nfs/dbraw/zinc/43/54/66/344435466.db2.gz YQIJZSWAVKAQGI-IRUJWGPZSA-N 0 1 248.282 1.722 20 5 BDBDMN CCS(=O)(=O)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593203856 347872123 /nfs/dbraw/zinc/87/21/23/347872123.db2.gz INUQXJAQJATAOZ-UHFFFAOYSA-N 0 1 245.256 1.235 20 5 BDBDMN O=[N+]([O-])c1ccccc1CNCCOCCF ZINC000596058971 348435574 /nfs/dbraw/zinc/43/55/74/348435574.db2.gz RRGPZBPFPBYXFE-UHFFFAOYSA-N 0 1 242.250 1.671 20 5 BDBDMN Cc1cc(NCc2c[nH]nn2)c([N+](=O)[O-])s1 ZINC000596149423 348452893 /nfs/dbraw/zinc/45/28/93/348452893.db2.gz WQGNHUBHNBPGPB-UHFFFAOYSA-N 0 1 239.260 1.695 20 5 BDBDMN CC(C)(O)CON=c1ccc([N+](=O)[O-])c[nH]1 ZINC000278482088 188382582 /nfs/dbraw/zinc/38/25/82/188382582.db2.gz FVJFYNMKGJALDS-UHFFFAOYSA-N 0 1 227.220 1.104 20 5 BDBDMN CC(C)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269112469 356841249 /nfs/dbraw/zinc/84/12/49/356841249.db2.gz DFVRAPKNWCTGGT-UHFFFAOYSA-N 0 1 238.243 1.686 20 5 BDBDMN C[C@H](CO)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000035602090 358002556 /nfs/dbraw/zinc/00/25/56/358002556.db2.gz ARAFFDMCUWTKMH-SSDOTTSWSA-N 0 1 244.678 1.719 20 5 BDBDMN C[C@@H](Nc1ncccc1[N+](=O)[O-])c1nnc[nH]1 ZINC000219644906 134288725 /nfs/dbraw/zinc/28/87/25/134288725.db2.gz CRZBKBCKKASFSF-ZCFIWIBFSA-N 0 1 234.219 1.281 20 5 BDBDMN COCc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000106931057 369239565 /nfs/dbraw/zinc/23/95/65/369239565.db2.gz ZOXITMSLSZSLOD-UHFFFAOYSA-N 0 1 249.226 1.334 20 5 BDBDMN CC[C@H](C)CN(C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602450380 371805613 /nfs/dbraw/zinc/80/56/13/371805613.db2.gz VEARUHAUGAVZAK-VIFPVBQESA-N 0 1 240.307 1.806 20 5 BDBDMN Cc1ccc(C[N@@H+](C)CCO)cc1[N+](=O)[O-] ZINC000127913286 384011252 /nfs/dbraw/zinc/01/12/52/384011252.db2.gz OCEGFRWUAPTKCX-UHFFFAOYSA-N 0 1 224.260 1.327 20 5 BDBDMN Cc1ccc(CN(C)CCO)cc1[N+](=O)[O-] ZINC000127913286 384011259 /nfs/dbraw/zinc/01/12/59/384011259.db2.gz OCEGFRWUAPTKCX-UHFFFAOYSA-N 0 1 224.260 1.327 20 5 BDBDMN Cc1[nH]ncc1CNc1nc(C)ccc1[N+](=O)[O-] ZINC000162601658 384652694 /nfs/dbraw/zinc/65/26/94/384652694.db2.gz SZIWBNYZVUYCDP-UHFFFAOYSA-N 0 1 247.258 1.942 20 5 BDBDMN Cc1cc([N+](=O)[O-])ccc1CNCc1c[nH]nn1 ZINC000598984694 385085020 /nfs/dbraw/zinc/08/50/20/385085020.db2.gz RCYAAIPIWQVROH-UHFFFAOYSA-N 0 1 247.258 1.311 20 5 BDBDMN C[C@@H](CO)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000085447344 385187416 /nfs/dbraw/zinc/18/74/16/385187416.db2.gz MBASVUCAMVACQA-ZETCQYMHSA-N 0 1 244.678 1.719 20 5 BDBDMN COc1nn(C)cc1Nc1ncccc1[N+](=O)[O-] ZINC000352587345 388361548 /nfs/dbraw/zinc/36/15/48/388361548.db2.gz CDTZXFCYSNMENK-UHFFFAOYSA-N 0 1 249.230 1.476 20 5 BDBDMN O=[N+]([O-])c1ccccc1COCCc1c[nH]nn1 ZINC000357018117 388391043 /nfs/dbraw/zinc/39/10/43/388391043.db2.gz LNCUNBDYFRBUQI-UHFFFAOYSA-N 0 1 248.242 1.472 20 5 BDBDMN CC[C@H](C)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000421912275 388684088 /nfs/dbraw/zinc/68/40/88/388684088.db2.gz JZODDNMZPAXPEZ-LURJTMIESA-N 0 1 226.236 1.094 20 5 BDBDMN CC[C@@H]1CCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000446719772 388733924 /nfs/dbraw/zinc/73/39/24/388733924.db2.gz QOUNSQSCXVERMN-SECBINFHSA-N 0 1 238.291 1.560 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2CCCCC[C@@H]21 ZINC000378094410 388727695 /nfs/dbraw/zinc/72/76/95/388727695.db2.gz YCZWOGBEPRYLPC-VLEAKVRGSA-N 0 1 238.287 1.443 20 5 BDBDMN O=[N+]([O-])c1ccc(NCc2nnc[nH]2)cc1 ZINC000037920073 397951175 /nfs/dbraw/zinc/95/11/75/397951175.db2.gz SOYLXVYLSIFUKP-UHFFFAOYSA-N 0 1 219.204 1.325 20 5 BDBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CCCO ZINC000281956240 176026432 /nfs/dbraw/zinc/02/64/32/176026432.db2.gz UUHKWXZWSPXYHV-JTQLQIEISA-N 0 1 238.287 1.970 20 5 BDBDMN CCC(C)(C)[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000855365871 588829442 /nfs/dbraw/zinc/82/94/42/588829442.db2.gz RXTNJXZDCFDQDG-DJLDLDEBSA-N 0 1 228.292 1.593 20 5 BDBDMN Cc1cc(COC(=O)[C@@H]2CC2[N+](=O)[O-])ccn1 ZINC000856938268 588880806 /nfs/dbraw/zinc/88/08/06/588880806.db2.gz NXEVTVWVQGBGIW-NXEZZACHSA-N 0 1 236.227 1.098 20 5 BDBDMN O=[N+]([O-])c1cc(CNC[C@@H]2COCO2)cs1 ZINC000894870464 583539745 /nfs/dbraw/zinc/53/97/45/583539745.db2.gz JVWHMYTZBOBVHL-MRVPVSSYSA-N 0 1 244.272 1.119 20 5 BDBDMN Cc1ccc(OCCNCC[N+](=O)[O-])c(C)c1 ZINC000899861509 584242537 /nfs/dbraw/zinc/24/25/37/584242537.db2.gz SLVKBQFPRQVIOA-UHFFFAOYSA-N 0 1 238.287 1.549 20 5 BDBDMN CN(C)[C@@H](CNCC[N+](=O)[O-])c1ccsc1 ZINC000899865866 584245406 /nfs/dbraw/zinc/24/54/06/584245406.db2.gz LAWDUTBSXKILGL-JTQLQIEISA-N 0 1 243.332 1.217 20 5 BDBDMN O=[N+]([O-])c1ccccc1/C=C/CN[C@@H]1CNOC1 ZINC000904421494 584881813 /nfs/dbraw/zinc/88/18/13/584881813.db2.gz HBGLUAOMZWXCQY-JOAKQRRISA-N 0 1 249.270 1.101 20 5 BDBDMN C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839462465 585103448 /nfs/dbraw/zinc/10/34/48/585103448.db2.gz NFNJGVAYKUVPEG-ZYUZMQFOSA-N 0 1 226.276 1.156 20 5 BDBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839457304 585104832 /nfs/dbraw/zinc/10/48/32/585104832.db2.gz FZGPGMANJVKXQR-JMJZKYOTSA-N 0 1 234.255 1.529 20 5 BDBDMN CCCCC[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839485859 585105230 /nfs/dbraw/zinc/10/52/30/585105230.db2.gz LIZFAQMOLFWJFD-IVZWLZJFSA-N 0 1 228.292 1.737 20 5 BDBDMN CC(C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839513388 585105542 /nfs/dbraw/zinc/10/55/42/585105542.db2.gz LXGTYJDSERLITM-RKDXNWHRSA-N 0 1 214.265 1.204 20 5 BDBDMN C[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839463428 585105549 /nfs/dbraw/zinc/10/55/49/585105549.db2.gz QLBFRQNKJODDHI-QCLAVDOMSA-N 0 1 226.276 1.347 20 5 BDBDMN C[C@@H]1CCC[C@@H](N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839511813 585105984 /nfs/dbraw/zinc/10/59/84/585105984.db2.gz DKAYLQIZKKFVMJ-GWOFURMSSA-N 0 1 240.303 1.689 20 5 BDBDMN CC[C@@H]1C[C@H](C)CN1Cn1nccc1[N+](=O)[O-] ZINC000744442075 585150312 /nfs/dbraw/zinc/15/03/12/585150312.db2.gz WHIZIGNYDZSCJH-VHSXEESVSA-N 0 1 238.291 1.869 20 5 BDBDMN C=COCCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000755773564 585306859 /nfs/dbraw/zinc/30/68/59/585306859.db2.gz ZOXIZTVKJPJTGS-UHFFFAOYSA-N 0 1 226.188 1.240 20 5 BDBDMN C[C@@H]1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H](C)C1 ZINC000839687964 585335189 /nfs/dbraw/zinc/33/51/89/585335189.db2.gz JFDCKQRNAKHMTC-OINDSLJFSA-N 0 1 240.303 1.593 20 5 BDBDMN C[C@@H]1[C@@H](C)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839688251 585335426 /nfs/dbraw/zinc/33/54/26/585335426.db2.gz BLVYCUNPZWXUHL-SGIHWFKDSA-N 0 1 226.276 1.299 20 5 BDBDMN CC[C@]1(C)CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839697878 585335452 /nfs/dbraw/zinc/33/54/52/585335452.db2.gz WZXHEHHQJVACKE-CKYFFXLPSA-N 0 1 240.303 1.690 20 5 BDBDMN CC(C)C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839700593 585335961 /nfs/dbraw/zinc/33/59/61/585335961.db2.gz PICJPWBXEYYULO-RKDXNWHRSA-N 0 1 226.276 1.204 20 5 BDBDMN C[C@@H]1CC[C@@H](C)N1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839701021 585336064 /nfs/dbraw/zinc/33/60/64/585336064.db2.gz JDIYTJQVGPHJAX-FNCVBFRFSA-N 0 1 212.249 1.051 20 5 BDBDMN CCC(CC)(CC)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839702771 585336287 /nfs/dbraw/zinc/33/62/87/585336287.db2.gz ANFYJZBRSLIBQS-NXEZZACHSA-N 0 1 242.319 1.984 20 5 BDBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCC1 ZINC000839682924 585336971 /nfs/dbraw/zinc/33/69/71/585336971.db2.gz BZWOQENMLSSQMF-SZEHBUNVSA-N 0 1 226.276 1.347 20 5 BDBDMN C[C@@H]1CCCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839682197 585337236 /nfs/dbraw/zinc/33/72/36/585337236.db2.gz AHQRQSXVFRBZNK-OPRDCNLKSA-N 0 1 226.276 1.443 20 5 BDBDMN C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839735339 585337413 /nfs/dbraw/zinc/33/74/13/585337413.db2.gz YJCPZIVYBIOTSL-ISUQUUIWSA-N 0 1 240.303 1.545 20 5 BDBDMN C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839735340 585337583 /nfs/dbraw/zinc/33/75/83/585337583.db2.gz YJCPZIVYBIOTSL-KAMPLNKDSA-N 0 1 240.303 1.545 20 5 BDBDMN O=C(NCC1(C2CC2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839711177 585338028 /nfs/dbraw/zinc/33/80/28/585338028.db2.gz RRJOQXXRTUKDDA-NXEZZACHSA-N 0 1 238.287 1.348 20 5 BDBDMN CC[C@@H]1CC[C@@H](C)N1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839717720 585338354 /nfs/dbraw/zinc/33/83/54/585338354.db2.gz LPTSTBIBVJBYGS-ZYUZMQFOSA-N 0 1 226.276 1.441 20 5 BDBDMN C[C@@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H]1C ZINC000839725892 585338594 /nfs/dbraw/zinc/33/85/94/585338594.db2.gz LPXOSGXWVJXQGC-KAMPLNKDSA-N 0 1 240.303 1.593 20 5 BDBDMN CC(F)(F)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839779726 585341672 /nfs/dbraw/zinc/34/16/72/585341672.db2.gz LIUUOLYFGDAHCR-RNFRBKRXSA-N 0 1 236.218 1.203 20 5 BDBDMN COC[C@H](C)COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000769339986 585554519 /nfs/dbraw/zinc/55/45/19/585554519.db2.gz NIYMIQQCNRJWAF-ZETCQYMHSA-N 0 1 242.231 1.362 20 5 BDBDMN O=[N+]([O-])c1cnn(CCNCc2ccoc2)c1 ZINC000769424419 585556045 /nfs/dbraw/zinc/55/60/45/585556045.db2.gz SSTPKBPDQPCWGW-UHFFFAOYSA-N 0 1 236.231 1.174 20 5 BDBDMN C[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)C1CC1 ZINC000786984815 585899740 /nfs/dbraw/zinc/89/97/40/585899740.db2.gz ASFZSNHOYQRFNC-LURJTMIESA-N 0 1 224.216 1.878 20 5 BDBDMN CCN(CC1CCC1)Cn1cc([N+](=O)[O-])cn1 ZINC000794682539 586046549 /nfs/dbraw/zinc/04/65/49/586046549.db2.gz HSKCFRYZDCIOOB-UHFFFAOYSA-N 0 1 238.291 1.871 20 5 BDBDMN CC(C)OCCON=c1ccc([N+](=O)[O-])c[nH]1 ZINC000812489040 586578061 /nfs/dbraw/zinc/57/80/61/586578061.db2.gz RDSYSGOLVKMPCO-UHFFFAOYSA-N 0 1 241.247 1.758 20 5 BDBDMN CC1CC(OC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000813229152 586597745 /nfs/dbraw/zinc/59/77/45/586597745.db2.gz DXZOXOXQAOOXFG-UHFFFAOYSA-N 0 1 224.216 1.878 20 5 BDBDMN C[C@]1(COC(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H]1F ZINC000822098602 587152414 /nfs/dbraw/zinc/15/24/14/587152414.db2.gz IJQHIRJFCVIMED-OIBJUYFYSA-N 0 1 242.206 1.828 20 5 BDBDMN COC1(CCOC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC000840674239 587916229 /nfs/dbraw/zinc/91/62/29/587916229.db2.gz IKEAISHSNHMWMA-RKDXNWHRSA-N 0 1 243.259 1.154 20 5 BDBDMN O=C(OC1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000840999203 587934063 /nfs/dbraw/zinc/93/40/63/587934063.db2.gz FIHCRBOEQOGDEU-RKDXNWHRSA-N 0 1 213.233 1.528 20 5 BDBDMN O=C(Nc1cccc2ocnc21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841198144 587948733 /nfs/dbraw/zinc/94/87/33/587948733.db2.gz ZPZCGPMHUXTTKO-HTRCEHHLSA-N 0 1 247.210 1.432 20 5 BDBDMN CCC[C@@H](CC)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842320692 588017323 /nfs/dbraw/zinc/01/73/23/588017323.db2.gz KHLKGPKNBWHKLO-IWSPIJDZSA-N 0 1 215.249 1.774 20 5 BDBDMN CC[C@H](COC(=O)c1ccc([N+](=O)[O-])[nH]1)OC ZINC000842430261 588025179 /nfs/dbraw/zinc/02/51/79/588025179.db2.gz PJVKQMRSSJOYNZ-SSDOTTSWSA-N 0 1 242.231 1.505 20 5 BDBDMN C[C@@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])CC(F)F ZINC000842440366 588026486 /nfs/dbraw/zinc/02/64/86/588026486.db2.gz JULUKVGAOLLONL-FSDSQADBSA-N 0 1 237.202 1.486 20 5 BDBDMN CNCc1nc(-c2ccc([N+](=O)[O-])cc2C)no1 ZINC000843186858 588091568 /nfs/dbraw/zinc/09/15/68/588091568.db2.gz FWPZULGULLNWQC-UHFFFAOYSA-N 0 1 248.242 1.673 20 5 BDBDMN CC[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC000845850796 588247634 /nfs/dbraw/zinc/24/76/34/588247634.db2.gz KEVOMNMSCZHVQH-IWSPIJDZSA-N 0 1 215.249 1.629 20 5 BDBDMN C[C@H](CN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)(C)C ZINC000874590781 590118020 /nfs/dbraw/zinc/11/80/20/590118020.db2.gz AGCSBNSDUIQKSD-OPRDCNLKSA-N 0 1 242.319 1.792 20 5 BDBDMN C[N@@H+](CC(=O)[O-])Cc1ccccc1[N+](=O)[O-] ZINC000026441909 591500396 /nfs/dbraw/zinc/50/03/96/591500396.db2.gz GDLBXLSLBIJTCM-UHFFFAOYSA-N 0 1 224.216 1.111 20 5 BDBDMN O=[N+]([O-])c1ncccc1CN1CC[C@H](CF)C1 ZINC000886317117 592207678 /nfs/dbraw/zinc/20/76/78/592207678.db2.gz YVNCSNFNHVPLIR-SECBINFHSA-N 0 1 239.250 1.781 20 5 BDBDMN C[N@@H+](CC(=O)[O-])Cc1cc(F)ccc1[N+](=O)[O-] ZINC000035308510 596903510 /nfs/dbraw/zinc/90/35/10/596903510.db2.gz MNWMPQYNHWGYEL-UHFFFAOYSA-N 0 1 242.206 1.250 20 5 BDBDMN CO[C@@H](CNCC[N+](=O)[O-])c1ccccc1 ZINC000905041363 637559449 /nfs/dbraw/zinc/55/94/49/637559449.db2.gz SNXKJLQSLAWFFF-NSHDSACASA-N 0 1 224.260 1.240 20 5 BDBDMN CC(=O)Nc1ccc(CNCC[N+](=O)[O-])cc1 ZINC000905029859 637577258 /nfs/dbraw/zinc/57/72/58/637577258.db2.gz CPHJIHVIIHGIGF-UHFFFAOYSA-N 0 1 237.259 1.011 20 5 BDBDMN O=[N+]([O-])CCNC[C@H]1OCCc2ccccc21 ZINC000905110148 637618297 /nfs/dbraw/zinc/61/82/97/637618297.db2.gz JBKVPSJILCEVKD-GFCCVEGCSA-N 0 1 236.271 1.167 20 5 BDBDMN Cc1cc(N(C)C)ccc1CNCC[N+](=O)[O-] ZINC000905121297 637627872 /nfs/dbraw/zinc/62/78/72/637627872.db2.gz CJMGBMBNSGDROA-UHFFFAOYSA-N 0 1 237.303 1.427 20 5 BDBDMN O=[N+]([O-])CCNCc1ccc(N2CC=CC2)cc1 ZINC000905135973 637646048 /nfs/dbraw/zinc/64/60/48/637646048.db2.gz YOOSWLDWCXFTQA-UHFFFAOYSA-N 0 1 247.298 1.429 20 5 BDBDMN O=[N+]([O-])CCN[C@@H]1CCCc2sccc21 ZINC000905214835 637699255 /nfs/dbraw/zinc/69/92/55/637699255.db2.gz JJTSJYGHSSCIAT-SECBINFHSA-N 0 1 226.301 1.992 20 5 BDBDMN C[C@H](NCC[N+](=O)[O-])[C@H](O)c1cccc(F)c1 ZINC000905363843 637788226 /nfs/dbraw/zinc/78/82/26/637788226.db2.gz GXKDTLQVAFYFFQ-KWQFWETISA-N 0 1 242.250 1.114 20 5 BDBDMN O=[N+]([O-])CCN1CCOC[C@@H](C2CCC2)C1 ZINC000930554505 639810234 /nfs/dbraw/zinc/81/02/34/639810234.db2.gz IPOFINAPCMWTCI-NSHDSACASA-N 0 1 228.292 1.012 20 5 BDBDMN COc1ccc([C@H](C)NCC[N+](=O)[O-])cc1C ZINC000932572264 640578590 /nfs/dbraw/zinc/57/85/90/640578590.db2.gz YMIKUXXGXNYGJU-JTQLQIEISA-N 0 1 238.287 1.931 20 5 BDBDMN C[C@H]1C[C@H]1COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000920335203 642476716 /nfs/dbraw/zinc/47/67/16/642476716.db2.gz LECKZTCAUSWPCE-BQBZGAKWSA-N 0 1 224.216 1.736 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H]2CCCC[C@@H]21 ZINC000843620954 645298959 /nfs/dbraw/zinc/29/89/59/645298959.db2.gz FKPRYPLLXBLHNV-ZRUFSTJUSA-N 0 1 238.287 1.443 20 5 BDBDMN O=C(NC[C@@]12C[C@@H]1CCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000927421102 645609819 /nfs/dbraw/zinc/60/98/19/645609819.db2.gz AQUPFYHZTILOPZ-BTQIBKBOSA-N 0 1 238.287 1.348 20 5 BDBDMN O=[N+]([O-])CCN1CCCN(c2ccccc2)CC1 ZINC000929314622 646078013 /nfs/dbraw/zinc/07/80/13/646078013.db2.gz CIZJDQTUCDFFBK-UHFFFAOYSA-N 0 1 249.314 1.475 20 5 BDBDMN O=[N+]([O-])CCN1CCCc2ccccc2C1 ZINC000929599813 646192629 /nfs/dbraw/zinc/19/26/29/646192629.db2.gz GZMKJCBSZOLRDL-UHFFFAOYSA-N 0 1 220.272 1.712 20 5 BDBDMN O=[N+]([O-])CCNC1(c2ccccc2)CCC1 ZINC000929865640 646366216 /nfs/dbraw/zinc/36/62/16/646366216.db2.gz UBFKATYAWSFWIM-UHFFFAOYSA-N 0 1 220.272 1.932 20 5 BDBDMN O=C([O-])C1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000071173905 948991191 /nfs/dbraw/zinc/99/11/91/948991191.db2.gz BMTPLXHQEHCFMH-UHFFFAOYSA-N 0 1 236.227 1.111 20 5 BDBDMN Cc1cc([O-])c(O[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC001218182289 971616779 /nfs/dbraw/zinc/61/67/79/971616779.db2.gz REKIAWZSTXVUHJ-QMMMGPOBSA-N 0 1 238.243 1.350 20 5 BDBDMN Cc1cnc(CN)n1-c1ncc([N+](=O)[O-])cc1C ZINC001158163318 963816312 /nfs/dbraw/zinc/81/63/12/963816312.db2.gz RHLQKVGJMOKIBX-UHFFFAOYSA-N 0 1 247.258 1.251 20 5 BDBDMN Cc1nc(N2CCN3CC[C@H]3C2)ccc1[N+](=O)[O-] ZINC001158425312 963867338 /nfs/dbraw/zinc/86/73/38/963867338.db2.gz OMKXQLGDIRCTDN-JTQLQIEISA-N 0 1 248.286 1.193 20 5 BDBDMN O=[N+]([O-])C[C@H]1CC[C@@H](NCC(F)F)C1 ZINC001168958051 969308234 /nfs/dbraw/zinc/30/82/34/969308234.db2.gz LGTSCEPEOMCZKK-NKWVEPMBSA-N 0 1 208.208 1.287 20 5 BDBDMN O=C1SCC[C@@H]1N[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168968742 969320575 /nfs/dbraw/zinc/32/05/75/969320575.db2.gz AEVCAGPIEYCRMF-CIUDSAMLSA-N 0 1 244.316 1.054 20 5 BDBDMN CCOC1CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169013060 969336759 /nfs/dbraw/zinc/33/67/59/969336759.db2.gz TVWXHKOCWPRHPS-VHSXEESVSA-N 0 1 228.292 1.153 20 5 BDBDMN Cn1cncc1Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001209935451 969695348 /nfs/dbraw/zinc/69/53/48/969695348.db2.gz WODQJMSZGLYCJB-UHFFFAOYSA-N 0 1 233.231 1.654 20 5 BDBDMN O=[N+]([O-])c1ccc2c(c1)C[C@@H](NC1COC1)C2 ZINC001254569398 969741586 /nfs/dbraw/zinc/74/15/86/969741586.db2.gz XOLWDCISSKYYLO-JTQLQIEISA-N 0 1 234.255 1.050 20 5 BDBDMN Cc1nonc1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210392686 969881257 /nfs/dbraw/zinc/88/12/57/969881257.db2.gz IBATWVXRIJUXQD-UHFFFAOYSA-N 0 1 236.187 1.735 20 5 BDBDMN O=c1cc[nH]cc1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210395008 969884424 /nfs/dbraw/zinc/88/44/24/969884424.db2.gz MQTAGHOVAXQDEE-UHFFFAOYSA-N 0 1 247.210 1.732 20 5 BDBDMN Cn1ncc(Nc2ccc(F)cc2[N+](=O)[O-])n1 ZINC001210951325 970084417 /nfs/dbraw/zinc/08/44/17/970084417.db2.gz DNEDLJIIWITANC-UHFFFAOYSA-N 0 1 237.194 1.606 20 5 BDBDMN CN1CCC[C@@H](Oc2cncc([N+](=O)[O-])c2)C1 ZINC001227988143 975835505 /nfs/dbraw/zinc/83/55/05/975835505.db2.gz PFTKNMLCVROVSD-SNVBAGLBSA-N 0 1 237.259 1.463 20 5 BDBDMN Cc1ccc([C@@H](O)[C@@H](C)NCC[N+](=O)[O-])cc1 ZINC001335412962 977040828 /nfs/dbraw/zinc/04/08/28/977040828.db2.gz SJNQNFYCMCGJBF-PWSUYJOCSA-N 0 1 238.287 1.283 20 5 BDBDMN CC(C)(NCC[N+](=O)[O-])c1cccs1 ZINC001335782539 977278924 /nfs/dbraw/zinc/27/89/24/977278924.db2.gz XUICSBVJSQDAEY-UHFFFAOYSA-N 0 1 214.290 1.850 20 5 BDBDMN COc1ccc(-n2cncc2N)cc1[N+](=O)[O-] ZINC001176361347 978047172 /nfs/dbraw/zinc/04/71/72/978047172.db2.gz ZQQBYXVKNFOVIK-UHFFFAOYSA-N 0 1 234.215 1.371 20 5 BDBDMN Cc1ccnc(N[C@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC000070496060 978849653 /nfs/dbraw/zinc/84/96/53/978849653.db2.gz UCJXOEAMOOHRKZ-VIFPVBQESA-N 0 1 236.275 1.414 20 5 BDBDMN CC[C@H](C[N+](=O)[O-])OC(=O)[C@@H](C(C)C)N(C)C ZINC001346197457 980781398 /nfs/dbraw/zinc/78/13/98/980781398.db2.gz LXLOGEOAYWROBC-NXEZZACHSA-N 0 1 246.307 1.171 20 5 BDBDMN O=[N+]([O-])CCN1CC[C@@H](Cc2ccncc2)C1 ZINC001354585746 983323251 /nfs/dbraw/zinc/32/32/51/983323251.db2.gz YBXBHERMTXBTHS-LBPRGKRZSA-N 0 1 235.287 1.223 20 5 BDBDMN C[C@@H](COc1ccccc1F)NCC[N+](=O)[O-] ZINC001356101237 983577084 /nfs/dbraw/zinc/57/70/84/983577084.db2.gz SNGWFZIDKBHFGZ-VIFPVBQESA-N 0 1 242.250 1.459 20 5 BDBDMN O=[N+]([O-])c1cnccc1N1CCc2cn[nH]c2C1 ZINC000588824090 344193242 /nfs/dbraw/zinc/19/32/42/344193242.db2.gz RRJNAEZXXNEHQH-UHFFFAOYSA-N 0 1 245.242 1.276 20 5 BDBDMN C[C@@H](N[C@@H]1CCNC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000594725207 348108585 /nfs/dbraw/zinc/10/85/85/348108585.db2.gz VVSIVIFIMDDGQF-LDYMZIIASA-N 0 1 249.270 1.134 20 5 BDBDMN O=[N+]([O-])c1ccccc1CNC/C=C\CO ZINC000594975808 348163399 /nfs/dbraw/zinc/16/33/99/348163399.db2.gz UYHCBLYKRQCVEA-ARJAWSKDSA-N 0 1 222.244 1.233 20 5 BDBDMN O=[N+]([O-])c1cc(CN[C@H]2C[C@H](O)C2)cs1 ZINC000595001321 348169521 /nfs/dbraw/zinc/16/95/21/348169521.db2.gz UVADGTALRRXBIG-ZKCHVHJHSA-N 0 1 228.273 1.269 20 5 BDBDMN C[C@H](O)C1(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000597235223 348701412 /nfs/dbraw/zinc/70/14/12/348701412.db2.gz VDTZEQWOUQYFTH-ZETCQYMHSA-N 0 1 242.300 1.659 20 5 BDBDMN C[C@@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)CO1 ZINC000402206863 350044335 /nfs/dbraw/zinc/04/43/35/350044335.db2.gz IBMDPUDDEMBKHC-VXNVDRBHSA-N 0 1 242.300 1.923 20 5 BDBDMN Cc1nc(NOCC(C)(C)O)ccc1[N+](=O)[O-] ZINC000278692054 180022445 /nfs/dbraw/zinc/02/24/45/180022445.db2.gz MAPMJDOWLLHOQF-UHFFFAOYSA-N 0 1 241.247 1.413 20 5 BDBDMN O=[N+]([O-])c1ncccc1NCCN1CCC1 ZINC000309538589 350709891 /nfs/dbraw/zinc/70/98/91/350709891.db2.gz XRPWADRLECUAEK-UHFFFAOYSA-N 0 1 222.248 1.107 20 5 BDBDMN C[C@@H]1CN(C)CCN1c1ccccc1[N+](=O)[O-] ZINC000344426073 351126162 /nfs/dbraw/zinc/12/61/62/351126162.db2.gz IUZSKBOYSYGCJD-SNVBAGLBSA-N 0 1 235.287 1.735 20 5 BDBDMN O=[N+]([O-])c1cccc(SCc2nn[nH]n2)c1 ZINC000337752949 188363800 /nfs/dbraw/zinc/36/38/00/188363800.db2.gz KCBDIDQBZQNSNB-UHFFFAOYSA-N 0 1 237.244 1.400 20 5 BDBDMN C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)[O-] ZINC000035677945 358087943 /nfs/dbraw/zinc/08/79/43/358087943.db2.gz DWLNPAXORJYYFA-UHFFFAOYSA-N 0 1 238.243 1.154 20 5 BDBDMN O=[N+]([O-])c1cc(CNCCCO)cs1 ZINC000037472333 364053829 /nfs/dbraw/zinc/05/38/29/364053829.db2.gz VWQAYIVBNQKLNM-UHFFFAOYSA-N 0 1 216.262 1.128 20 5 BDBDMN Cn1cc(CNCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000037668348 364457177 /nfs/dbraw/zinc/45/71/77/364457177.db2.gz UOGKIJFQPMNCMP-UHFFFAOYSA-N 0 1 246.270 1.618 20 5 BDBDMN CCO[C@H]1C[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000581586977 367614307 /nfs/dbraw/zinc/61/43/07/367614307.db2.gz FPBCHJLUDBXLKE-RYUDHWBXSA-N 0 1 236.271 1.862 20 5 BDBDMN CN(Cc1cn(C)nc1[N+](=O)[O-])CC1CC1 ZINC000602456509 371806449 /nfs/dbraw/zinc/80/64/49/371806449.db2.gz YANGNZOSHGMHBP-UHFFFAOYSA-N 0 1 224.264 1.170 20 5 BDBDMN O=C(Nc1cnoc1)c1ccc([N+](=O)[O-])s1 ZINC000604542437 371986526 /nfs/dbraw/zinc/98/65/26/371986526.db2.gz UYNUPPFWSSBEAS-UHFFFAOYSA-N 0 1 239.212 1.897 20 5 BDBDMN O=C(NCC12CCC(CC1)C2)[C@@H]1CC1[N+](=O)[O-] ZINC000366690807 182132758 /nfs/dbraw/zinc/13/27/58/182132758.db2.gz VAXZEOFOHZJEFW-WDHPUFTPSA-N 0 1 238.287 1.348 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1C1CC1 ZINC000377541508 182627585 /nfs/dbraw/zinc/62/75/85/182627585.db2.gz DEDBGSDDXXWUAI-UTLUCORTSA-N 0 1 224.260 1.053 20 5 BDBDMN O=[N+]([O-])c1cc(CN[C@@H]2CC[C@H]2O)cs1 ZINC000393920802 384282772 /nfs/dbraw/zinc/28/27/72/384282772.db2.gz SEUGZINCTKAZNH-HTQZYQBOSA-N 0 1 228.273 1.269 20 5 BDBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000408404313 386307490 /nfs/dbraw/zinc/30/74/90/386307490.db2.gz HRJUVCDJDXSDDR-ZCFIWIBFSA-N 0 1 238.247 1.251 20 5 BDBDMN CC(C)=CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000191856271 387180847 /nfs/dbraw/zinc/18/08/47/387180847.db2.gz LEDGKTYUYRDUAI-UHFFFAOYSA-N 0 1 224.220 1.014 20 5 BDBDMN Cc1ccc([N+](=O)[O-])c(N(C)Cc2nnc[nH]2)n1 ZINC000268839941 387486887 /nfs/dbraw/zinc/48/68/87/387486887.db2.gz VLCFQXODWCFYPY-UHFFFAOYSA-N 0 1 248.246 1.053 20 5 BDBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CC2CCC1CC2 ZINC000371388896 387867650 /nfs/dbraw/zinc/86/76/50/387867650.db2.gz PGOALHOBVDWMEP-QLEHZGMVSA-N 0 1 224.260 1.053 20 5 BDBDMN O=C([C@H]1C[C@H]1[N+](=O)[O-])N1Cc2ccccc2CO1 ZINC000377171323 388724075 /nfs/dbraw/zinc/72/40/75/388724075.db2.gz FYABBDDHFMQOIU-WDEREUQCSA-N 0 1 248.238 1.126 20 5 BDBDMN CC[C@@H](C)N(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000330603962 388759859 /nfs/dbraw/zinc/75/98/59/388759859.db2.gz KWWGPXGYUABPPG-ZCFIWIBFSA-N 0 1 240.263 1.497 20 5 BDBDMN CC[C@@H](C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000855390125 588830960 /nfs/dbraw/zinc/83/09/60/588830960.db2.gz MAHJOIJWYCDXPA-IWSPIJDZSA-N 0 1 214.265 1.204 20 5 BDBDMN C[C@@H](COC(=O)c1ccc2cncn2c1)[N+](=O)[O-] ZINC000813104587 582580671 /nfs/dbraw/zinc/58/06/71/582580671.db2.gz FAKFLFRNYKURCZ-QMMMGPOBSA-N 0 1 249.226 1.156 20 5 BDBDMN Cc1cc(C)cc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000855613817 588842543 /nfs/dbraw/zinc/84/25/43/588842543.db2.gz FKHZHYZEOSVYBU-VXGBXAGGSA-N 0 1 248.282 1.585 20 5 BDBDMN O=C(NCCCC1CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000855802987 588849013 /nfs/dbraw/zinc/84/90/13/588849013.db2.gz IHOBYTBVBWSDDH-NXEZZACHSA-N 0 1 226.276 1.348 20 5 BDBDMN CC(NC(=O)[C@@H]1CC1[N+](=O)[O-])(C1CC1)C1CC1 ZINC000856122990 588861209 /nfs/dbraw/zinc/86/12/09/588861209.db2.gz RTXCRUXXDZCYRP-NXEZZACHSA-N 0 1 238.287 1.347 20 5 BDBDMN C[C@@H]1CC[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000840674658 583429470 /nfs/dbraw/zinc/42/94/70/583429470.db2.gz OEIFMTLUEXIQDS-FNCVBFRFSA-N 0 1 213.233 1.383 20 5 BDBDMN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000899400822 584210670 /nfs/dbraw/zinc/21/06/70/584210670.db2.gz LVWYXTYFSNYFCF-BAMVVWIKSA-N 0 1 238.287 1.060 20 5 BDBDMN O=[N+]([O-])CCNC[C@H](O)c1ccc(Cl)cc1 ZINC000899867671 584243705 /nfs/dbraw/zinc/24/37/05/584243705.db2.gz XEWQDSOLMWDYPK-JTQLQIEISA-N 0 1 244.678 1.240 20 5 BDBDMN COc1ccc(CNCC[N+](=O)[O-])cc1 ZINC000899856908 584244060 /nfs/dbraw/zinc/24/40/60/584244060.db2.gz YDOBDUVJKOJPEO-UHFFFAOYSA-N 0 1 210.233 1.062 20 5 BDBDMN Cc1ccccc1OCCNCC[N+](=O)[O-] ZINC000899873315 584246002 /nfs/dbraw/zinc/24/60/02/584246002.db2.gz MMMVXKRBQQASJR-UHFFFAOYSA-N 0 1 224.260 1.240 20 5 BDBDMN C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839454086 585104638 /nfs/dbraw/zinc/10/46/38/585104638.db2.gz DKNUSXROMOEPFW-MVWJERBFSA-N 0 1 248.282 1.572 20 5 BDBDMN C[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839510277 585106207 /nfs/dbraw/zinc/10/62/07/585106207.db2.gz YNSVGSXIMSHKJI-ZYUZMQFOSA-N 0 1 226.276 1.347 20 5 BDBDMN C[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839599710 585331674 /nfs/dbraw/zinc/33/16/74/585331674.db2.gz SPCLEZLPNMZXQO-IVZWLZJFSA-N 0 1 226.276 1.300 20 5 BDBDMN C[C@H]1SCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1C ZINC000839685315 585334881 /nfs/dbraw/zinc/33/48/81/585334881.db2.gz CEMCYXRDTCSVOM-FNCVBFRFSA-N 0 1 244.316 1.004 20 5 BDBDMN CC(C)[C@@H](C)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839687606 585335179 /nfs/dbraw/zinc/33/51/79/585335179.db2.gz CZEXCQLJZQQCQX-DJLDLDEBSA-N 0 1 214.265 1.060 20 5 BDBDMN C[C@H]1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H](C)C1 ZINC000839687965 585335228 /nfs/dbraw/zinc/33/52/28/585335228.db2.gz JFDCKQRNAKHMTC-YJFSRANCSA-N 0 1 240.303 1.593 20 5 BDBDMN CC[C@@H](C)C[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839692593 585335589 /nfs/dbraw/zinc/33/55/89/585335589.db2.gz PFLKXUHBSFGRNX-UTINFBMNSA-N 0 1 228.292 1.593 20 5 BDBDMN CC[C@@]1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839701068 585335887 /nfs/dbraw/zinc/33/58/87/585335887.db2.gz JZPANQSFIAFLLP-KKZNHRDASA-N 0 1 226.276 1.300 20 5 BDBDMN CC[C@@H](CSC)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839719729 585338385 /nfs/dbraw/zinc/33/83/85/585338385.db2.gz YOZQDFZCWRVRQG-DJLDLDEBSA-N 0 1 246.332 1.252 20 5 BDBDMN CN(C[C@H]1CC=CCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839723210 585338805 /nfs/dbraw/zinc/33/88/05/585338805.db2.gz GULOZABUZKGEHT-HBNTYKKESA-N 0 1 238.287 1.466 20 5 BDBDMN O=C(NC[C@H]1CCC(F)(F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839750430 585340276 /nfs/dbraw/zinc/34/02/76/585340276.db2.gz LTSYTNCDNQFFQD-XLPZGREQSA-N 0 1 248.229 1.203 20 5 BDBDMN Cc1ccoc1CN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839779571 585341698 /nfs/dbraw/zinc/34/16/98/585341698.db2.gz PMSOATUCFHPTOL-RKDXNWHRSA-N 0 1 238.243 1.212 20 5 BDBDMN O=C(NCCC1CC(F)(F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839790747 585347258 /nfs/dbraw/zinc/34/72/58/585347258.db2.gz FSZPGQYEPKLEBR-HTQZYQBOSA-N 0 1 248.229 1.203 20 5 BDBDMN CC(C)C[C@@H]1C[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839800201 585540644 /nfs/dbraw/zinc/54/06/44/585540644.db2.gz SAKOAJKDGOHPKH-ZYUZMQFOSA-N 0 1 226.276 1.202 20 5 BDBDMN O=[N+]([O-])c1ccc([C@H](O)CN2CCC2)cc1 ZINC000776582004 585701410 /nfs/dbraw/zinc/70/14/10/585701410.db2.gz LKQWIDMNQPICBL-LLVKDONJSA-N 0 1 222.244 1.334 20 5 BDBDMN O=C(O[C@H]1C=CCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000780552398 585780596 /nfs/dbraw/zinc/78/05/96/585780596.db2.gz VTZXGMJGBKHUMH-ZETCQYMHSA-N 0 1 222.200 1.798 20 5 BDBDMN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)C(F)F ZINC000786523906 585894287 /nfs/dbraw/zinc/89/42/87/585894287.db2.gz NEMREIUEAAXTPW-SCSAIBSYSA-N 0 1 234.158 1.733 20 5 BDBDMN CC(C)[C@@H](C)N(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000840286600 586599269 /nfs/dbraw/zinc/59/92/69/586599269.db2.gz ZFPQHHQGKRGYRI-FBIMIBRVSA-N 0 1 240.303 1.687 20 5 BDBDMN CCC(C)(CC)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840344182 586814520 /nfs/dbraw/zinc/81/45/20/586814520.db2.gz BNASIHKIVVZANF-HTQZYQBOSA-N 0 1 214.265 1.347 20 5 BDBDMN CC(C)CCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672945 587915641 /nfs/dbraw/zinc/91/56/41/587915641.db2.gz PIHJZBNYPWBUOG-HTQZYQBOSA-N 0 1 201.222 1.241 20 5 BDBDMN Cc1cccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000841000107 587934344 /nfs/dbraw/zinc/93/43/44/587934344.db2.gz YJUGSKILLFMTEB-NXEZZACHSA-N 0 1 221.212 1.566 20 5 BDBDMN CCc1ccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000841004467 587934584 /nfs/dbraw/zinc/93/45/84/587934584.db2.gz SBQLHSXRTYJGGV-GHMZBOCLSA-N 0 1 235.239 1.820 20 5 BDBDMN Cc1cccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])c1C ZINC000841007400 587935054 /nfs/dbraw/zinc/93/50/54/587935054.db2.gz WHBFPRYWQKRCIP-NXEZZACHSA-N 0 1 235.239 1.874 20 5 BDBDMN Cc1cccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])c1F ZINC000841175355 587948549 /nfs/dbraw/zinc/94/85/49/587948549.db2.gz SYXLKJYNMICXSJ-HTQZYQBOSA-N 0 1 239.202 1.705 20 5 BDBDMN CC(C)(NC(=O)[C@@H]1CC1[N+](=O)[O-])C(F)(F)F ZINC000841242244 587950233 /nfs/dbraw/zinc/95/02/33/587950233.db2.gz DSNMCRRAMVDFJD-RFZPGFLSSA-N 0 1 240.181 1.109 20 5 BDBDMN C[C@@H](Cc1ccccc1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842298402 588015277 /nfs/dbraw/zinc/01/52/77/588015277.db2.gz AYCVCVXGBCINKA-MVWJERBFSA-N 0 1 249.266 1.826 20 5 BDBDMN CC1(OC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC000842319311 588017343 /nfs/dbraw/zinc/01/73/43/588017343.db2.gz OFLDJYKMWNOAQU-HTQZYQBOSA-N 0 1 213.233 1.528 20 5 BDBDMN Cc1cccc(CCOC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000847741514 588328550 /nfs/dbraw/zinc/32/85/50/588328550.db2.gz PSEPKKMORGCQGN-VXGBXAGGSA-N 0 1 249.266 1.746 20 5 BDBDMN O=C(OCCCc1ccco1)[C@@H]1CC1[N+](=O)[O-] ZINC000861019440 589139541 /nfs/dbraw/zinc/13/95/41/589139541.db2.gz FBSKCXILNGYHGZ-NXEZZACHSA-N 0 1 239.227 1.421 20 5 BDBDMN C[C@H](NCCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872018625 589856812 /nfs/dbraw/zinc/85/68/12/589856812.db2.gz OCOQJDPABBUDKO-ZETCQYMHSA-N 0 1 228.223 1.377 20 5 BDBDMN CCC1(CC)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000874630389 590120251 /nfs/dbraw/zinc/12/02/51/590120251.db2.gz TWDASSFMZRYRBA-NXEZZACHSA-N 0 1 240.303 1.833 20 5 BDBDMN CC(C)(NCC[N+](=O)[O-])c1cccc(F)c1 ZINC000309523202 632468811 /nfs/dbraw/zinc/46/88/11/632468811.db2.gz CCLDHNQDLCTWOV-UHFFFAOYSA-N 0 1 226.251 1.927 20 5 BDBDMN Cc1nc(CNc2ccsc2[N+](=O)[O-])n[nH]1 ZINC000309710912 632655437 /nfs/dbraw/zinc/65/54/37/632655437.db2.gz QPNPIXORHOSBFF-UHFFFAOYSA-N 0 1 239.260 1.695 20 5 BDBDMN C[C@H](NCCF)c1ccc(N)c([N+](=O)[O-])c1 ZINC000309263355 632860298 /nfs/dbraw/zinc/86/02/98/632860298.db2.gz IRKYIJAUDHFULU-ZETCQYMHSA-N 0 1 227.239 1.797 20 5 BDBDMN CC(C)c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC000928615791 636192732 /nfs/dbraw/zinc/19/27/32/636192732.db2.gz AOROQCHJCFBWSZ-MWLCHTKSSA-N 0 1 249.270 1.809 20 5 BDBDMN CN(C)c1cccc(CNCC[N+](=O)[O-])c1 ZINC000905082709 637582423 /nfs/dbraw/zinc/58/24/23/637582423.db2.gz UAYOFFUDQIHCJY-UHFFFAOYSA-N 0 1 223.276 1.119 20 5 BDBDMN C[C@]1(c2ccccc2)C[C@H]1NCC[N+](=O)[O-] ZINC000905135222 637644206 /nfs/dbraw/zinc/64/42/06/637644206.db2.gz JBICYVLJCJYRKX-VXGBXAGGSA-N 0 1 220.272 1.583 20 5 BDBDMN O=[N+]([O-])CCNCCOCC1CCCC1 ZINC000905278987 637735291 /nfs/dbraw/zinc/73/52/91/637735291.db2.gz HXXWMNPPQNOTLZ-UHFFFAOYSA-N 0 1 216.281 1.060 20 5 BDBDMN CO[C@H]1C[C@H](N(C)CC[N+](=O)[O-])C12CCC2 ZINC000930652826 639841813 /nfs/dbraw/zinc/84/18/13/639841813.db2.gz PJSNLSCBXYEDJE-UWVGGRQHSA-N 0 1 228.292 1.153 20 5 BDBDMN CN(c1ccccc1)[C@H]1CCN(CC[N+](=O)[O-])C1 ZINC000931058885 640045630 /nfs/dbraw/zinc/04/56/30/640045630.db2.gz FJKKSRLWBPBEBN-ZDUSSCGKSA-N 0 1 249.314 1.474 20 5 BDBDMN C[C@@H](NCC[N+](=O)[O-])c1ccc2c(c1)CCO2 ZINC000933486954 640721426 /nfs/dbraw/zinc/72/14/26/640721426.db2.gz FPHQAOSAPNKTEM-SECBINFHSA-N 0 1 236.271 1.549 20 5 BDBDMN O=[N+]([O-])CCN[C@H](c1ccncc1)C1CC1 ZINC000934697763 641249070 /nfs/dbraw/zinc/24/90/70/641249070.db2.gz JYTNAYNGLHMPCQ-NSHDSACASA-N 0 1 221.260 1.399 20 5 BDBDMN O=C(OCc1cccnc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000918490366 642207922 /nfs/dbraw/zinc/20/79/22/642207922.db2.gz IKWAIZXIJZQDJF-UHFFFAOYSA-N 0 1 247.210 1.675 20 5 BDBDMN CC[C@@H]1C[C@H]1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000922802982 644097246 /nfs/dbraw/zinc/09/72/46/644097246.db2.gz RAYRRKFTZRGLNS-BZNPZCIMSA-N 0 1 213.233 1.241 20 5 BDBDMN CC(F)(F)CCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000922801535 644097861 /nfs/dbraw/zinc/09/78/61/644097861.db2.gz ARKHMVKOLVQLHY-RNFRBKRXSA-N 0 1 237.202 1.630 20 5 BDBDMN Cc1ccc2c(c1)CC[C@H]2NCC[N+](=O)[O-] ZINC000899872829 711803857 /nfs/dbraw/zinc/80/38/57/711803857.db2.gz FSROVRGPQIJMMA-GFCCVEGCSA-N 0 1 220.272 1.849 20 5 BDBDMN CN1CC[C@@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000712593134 712435535 /nfs/dbraw/zinc/43/55/35/712435535.db2.gz CFSKFYLXHHRLKJ-LLVKDONJSA-N 0 1 221.260 1.711 20 5 BDBDMN CCN1CC[C@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000712596126 712436289 /nfs/dbraw/zinc/43/62/89/712436289.db2.gz SZCCMIKTDXBJHT-JTQLQIEISA-N 0 1 236.275 1.496 20 5 BDBDMN Cc1cc(NC[C@@H]2CCN2C)ncc1[N+](=O)[O-] ZINC000712615078 712438082 /nfs/dbraw/zinc/43/80/82/712438082.db2.gz NFTUVKCFOCXFCB-VIFPVBQESA-N 0 1 236.275 1.414 20 5 BDBDMN Cc1cc(NC[C@H]2CCN2C)ncc1[N+](=O)[O-] ZINC000712615076 712438151 /nfs/dbraw/zinc/43/81/51/712438151.db2.gz NFTUVKCFOCXFCB-SECBINFHSA-N 0 1 236.275 1.414 20 5 BDBDMN N=CNc1cc([N+](=O)[O-])c2nccn2c1 ZINC001167868037 961357988 /nfs/dbraw/zinc/35/79/88/961357988.db2.gz DSUOSUPKDUMKIV-UHFFFAOYSA-N 0 1 205.177 1.261 20 5 BDBDMN O=C(N[C@H]1CCC[C@@H](F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001130332304 970966500 /nfs/dbraw/zinc/96/65/00/970966500.db2.gz JMUZFPLCZXRGIZ-BZNPZCIMSA-N 0 1 230.239 1.049 20 5 BDBDMN Cc1ccc(-c2nnc([C@@H]3C[C@H]3[N+](=O)[O-])o2)o1 ZINC001327052746 972380427 /nfs/dbraw/zinc/38/04/27/972380427.db2.gz FSILPSSVXKNCFK-RNFRBKRXSA-N 0 1 235.199 1.771 20 5 BDBDMN Cc1cnc(CN)n1-c1nccc(C)c1[N+](=O)[O-] ZINC001158163167 963815281 /nfs/dbraw/zinc/81/52/81/963815281.db2.gz OUBBKWBAEMGXPR-UHFFFAOYSA-N 0 1 247.258 1.251 20 5 BDBDMN O=[N+]([O-])c1cnc(NCCc2ccn[nH]2)s1 ZINC000714510749 963880884 /nfs/dbraw/zinc/88/08/84/963880884.db2.gz IEKNTFQTDLSVDU-UHFFFAOYSA-N 0 1 239.260 1.429 20 5 BDBDMN O=[N+]([O-])C[C@@H]1CC[C@@H](NCC(F)F)C1 ZINC001168958052 969307625 /nfs/dbraw/zinc/30/76/25/969307625.db2.gz LGTSCEPEOMCZKK-RNFRBKRXSA-N 0 1 208.208 1.287 20 5 BDBDMN O=[N+]([O-])C[C@H]1CC[C@H](NCc2ncccn2)C1 ZINC001168963130 969316322 /nfs/dbraw/zinc/31/63/22/969316322.db2.gz NSNFFSKZHOVIAV-UWVGGRQHSA-N 0 1 236.275 1.012 20 5 BDBDMN O=[N+]([O-])c1ccc2c(c1)C[C@H](NC1COC1)C2 ZINC001254569399 969739571 /nfs/dbraw/zinc/73/95/71/969739571.db2.gz XOLWDCISSKYYLO-SNVBAGLBSA-N 0 1 234.255 1.050 20 5 BDBDMN CN1CCC[C@@H](Oc2cccnc2[N+](=O)[O-])C1 ZINC001225628328 974605492 /nfs/dbraw/zinc/60/54/92/974605492.db2.gz HSKVFKJGIYLKQV-SECBINFHSA-N 0 1 237.259 1.463 20 5 BDBDMN CN1CC[C@H](Oc2cccc([N+](=O)[O-])c2F)C1 ZINC001225793749 974684766 /nfs/dbraw/zinc/68/47/66/974684766.db2.gz DUNZHLOZNJCQLC-QMMMGPOBSA-N 0 1 240.234 1.817 20 5 BDBDMN O=c1nc2cc([N+](=O)[O-])ccc2c(OC2CC2)[nH]1 ZINC001228241395 976012036 /nfs/dbraw/zinc/01/20/36/976012036.db2.gz ATJDGIKSGOJCMT-UHFFFAOYSA-N 0 1 247.210 1.785 20 5 BDBDMN Cc1ccc([C@H](O)[C@@H](C)NCC[N+](=O)[O-])cc1 ZINC001335412964 977038656 /nfs/dbraw/zinc/03/86/56/977038656.db2.gz SJNQNFYCMCGJBF-ZYHUDNBSSA-N 0 1 238.287 1.283 20 5 BDBDMN O=[N+]([O-])CCNCc1cccc(-c2cnco2)c1 ZINC001335463187 977073936 /nfs/dbraw/zinc/07/39/36/977073936.db2.gz COZRMJSFHOAIRZ-UHFFFAOYSA-N 0 1 247.254 1.708 20 5 BDBDMN O=C(OC[C@]12C[C@H]1CCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC001344313394 980366468 /nfs/dbraw/zinc/36/64/68/980366468.db2.gz XVQPSQHYMGWVSS-BFLSOPEQSA-N 0 1 239.271 1.775 20 5 BDBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)(C)C ZINC001274138485 984266927 /nfs/dbraw/zinc/26/69/27/984266927.db2.gz WRIBSOPXTRXZDQ-HTQZYQBOSA-N 0 1 214.265 1.299 20 5 BDBDMN CCc1cnccc1[C@@H](C)NCC[N+](=O)[O-] ZINC001119808501 989414244 /nfs/dbraw/zinc/41/42/44/989414244.db2.gz WETPIBOIMAYDJU-SECBINFHSA-N 0 1 223.276 1.571 20 5 BDBDMN O=[N+]([O-])c1ncccc1NCCCc1nc[nH]n1 ZINC000134724685 342880401 /nfs/dbraw/zinc/88/04/01/342880401.db2.gz NDXUQZYPIPTQOM-UHFFFAOYSA-N 0 1 248.246 1.153 20 5 BDBDMN CCC[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000611198093 344270899 /nfs/dbraw/zinc/27/08/99/344270899.db2.gz QNFFGQKLEGPGPK-ZCFIWIBFSA-N 0 1 226.236 1.236 20 5 BDBDMN C[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])C1CC1 ZINC000611202172 344272423 /nfs/dbraw/zinc/27/24/23/344272423.db2.gz JBUUCGTVWNSREP-LURJTMIESA-N 0 1 238.247 1.094 20 5 BDBDMN O=[N+]([O-])c1ccccc1CN1CCC2(COC2)C1 ZINC000595835740 348369230 /nfs/dbraw/zinc/36/92/30/348369230.db2.gz XSMNIZWTTGIZHN-UHFFFAOYSA-N 0 1 248.282 1.817 20 5 BDBDMN O=[N+]([O-])c1ccc(CN[C@H]2C[C@@H](O)C2)c(F)c1 ZINC000449749509 202021467 /nfs/dbraw/zinc/02/14/67/202021467.db2.gz GCIPTOSFJFAWLZ-WAAGHKOSSA-N 0 1 240.234 1.347 20 5 BDBDMN CC(C)[C@H](C)N(C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602439115 371803636 /nfs/dbraw/zinc/80/36/36/371803636.db2.gz MPYQXDKSAVRTHX-VIFPVBQESA-N 0 1 240.307 1.805 20 5 BDBDMN C[C@@H]1C[C@@H](C)N(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602473417 371809823 /nfs/dbraw/zinc/80/98/23/371809823.db2.gz QWFINZBFSMRSRS-RKDXNWHRSA-N 0 1 238.291 1.559 20 5 BDBDMN CC(C)N(Cc1cn(C)nc1[N+](=O)[O-])C(C)C ZINC000602796397 371840434 /nfs/dbraw/zinc/84/04/34/371840434.db2.gz GDDSXTUKYUZXSG-UHFFFAOYSA-N 0 1 240.307 1.947 20 5 BDBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC2(CCC2)CC1 ZINC000376469262 182643460 /nfs/dbraw/zinc/64/34/60/182643460.db2.gz ZVDBMLABCCFESH-VHSXEESVSA-N 0 1 238.287 1.444 20 5 BDBDMN O=[N+]([O-])c1cccc(F)c1NCc1nnc[nH]1 ZINC000336702510 384254334 /nfs/dbraw/zinc/25/43/34/384254334.db2.gz LIJGVDBPOIETBI-UHFFFAOYSA-N 0 1 237.194 1.464 20 5 BDBDMN O=[N+]([O-])c1ccc(Cl)cc1CNCCO ZINC000082829133 384575448 /nfs/dbraw/zinc/57/54/48/384575448.db2.gz XHCZPZXJGGJSCZ-UHFFFAOYSA-N 0 1 230.651 1.330 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC2(CC2)C1 ZINC000364284250 385028219 /nfs/dbraw/zinc/02/82/19/385028219.db2.gz UYPMXQFASXNGNI-RKDXNWHRSA-N 0 1 224.260 1.054 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1C1CCC1 ZINC000361575273 385086648 /nfs/dbraw/zinc/08/66/48/385086648.db2.gz IFZPVDXXVHIAOQ-GMTAPVOTSA-N 0 1 238.287 1.443 20 5 BDBDMN O=[N+]([O-])c1cnc(NCCN2CC=CCC2)nc1 ZINC000280270059 385187424 /nfs/dbraw/zinc/18/74/24/385187424.db2.gz OSBNXOXXQILRRT-UHFFFAOYSA-N 0 1 249.274 1.059 20 5 BDBDMN CC(C)C[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000120312796 385678004 /nfs/dbraw/zinc/67/80/04/385678004.db2.gz SILLHGMGKOSALU-ZETCQYMHSA-N 0 1 240.263 1.482 20 5 BDBDMN CONC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265754096 385767421 /nfs/dbraw/zinc/76/74/21/385767421.db2.gz FJNNUKSLYRFCPJ-UHFFFAOYSA-N 0 1 238.243 1.550 20 5 BDBDMN O=[N+]([O-])c1ccc(CCNCc2cocn2)cc1 ZINC000192307951 387359548 /nfs/dbraw/zinc/35/95/48/387359548.db2.gz GLLXMABYMPVZOZ-UHFFFAOYSA-N 0 1 247.254 1.915 20 5 BDBDMN CO[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000353880836 388375006 /nfs/dbraw/zinc/37/50/06/388375006.db2.gz KNAVECYGJOLEIU-LLVKDONJSA-N 0 1 236.271 1.816 20 5 BDBDMN C[C@@H](O)CN(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774754 388754350 /nfs/dbraw/zinc/75/43/50/388754350.db2.gz PHXSYRYUNFEBDG-MRVPVSSYSA-N 0 1 242.250 1.547 20 5 BDBDMN CCC1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000331595498 388777835 /nfs/dbraw/zinc/77/78/35/388777835.db2.gz UZLWEJJNLNBMOI-UHFFFAOYSA-N 0 1 238.247 1.108 20 5 BDBDMN CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])C(C)C ZINC000299561364 388840312 /nfs/dbraw/zinc/84/03/12/388840312.db2.gz TZHGNQYUIAVCGJ-UHFFFAOYSA-N 0 1 240.263 1.497 20 5 BDBDMN Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C ZINC000103075161 168134646 /nfs/dbraw/zinc/13/46/46/168134646.db2.gz ABNPYMUCTRDXSB-SSDOTTSWSA-N 0 1 233.227 1.953 20 5 BDBDMN CC[C@H](C)CONC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000293583607 171290631 /nfs/dbraw/zinc/29/06/31/171290631.db2.gz BBXULMSMOPBDGC-LURJTMIESA-N 0 1 242.235 1.025 20 5 BDBDMN CCCC[C@@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842319953 588017129 /nfs/dbraw/zinc/01/71/29/588017129.db2.gz HKYBRZCVUZPJGT-IWSPIJDZSA-N 0 1 215.249 1.774 20 5 BDBDMN Cc1cnccc1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000859720549 582494053 /nfs/dbraw/zinc/49/40/53/582494053.db2.gz QBDGTASSUCEBSE-NXEZZACHSA-N 0 1 236.227 1.098 20 5 BDBDMN CN1C[C@H]2CC[C@@H](C1)N2c1ccccc1[N+](=O)[O-] ZINC000894881952 583544246 /nfs/dbraw/zinc/54/42/46/583544246.db2.gz PQHGOACENXPWCS-PHIMTYICSA-N 0 1 247.298 1.878 20 5 BDBDMN Cc1cc(CNCC[N+](=O)[O-])ccc1F ZINC000899867136 584243955 /nfs/dbraw/zinc/24/39/55/584243955.db2.gz ZYQNLJPYBFPVQY-UHFFFAOYSA-N 0 1 212.224 1.500 20 5 BDBDMN CSc1ccc(CNCC[N+](=O)[O-])cc1 ZINC000899873536 584245025 /nfs/dbraw/zinc/24/50/25/584245025.db2.gz QZBFYLYMFACFAW-UHFFFAOYSA-N 0 1 226.301 1.775 20 5 BDBDMN CN(C)[C@H](CNCC[N+](=O)[O-])c1ccsc1 ZINC000899865867 584245680 /nfs/dbraw/zinc/24/56/80/584245680.db2.gz LAWDUTBSXKILGL-SNVBAGLBSA-N 0 1 243.332 1.217 20 5 BDBDMN CCc1cc(CNc2ccc([N+](=O)[O-])cn2)n[nH]1 ZINC000732920662 584941756 /nfs/dbraw/zinc/94/17/56/584941756.db2.gz GSSDUAIDLGGVGN-UHFFFAOYSA-N 0 1 247.258 1.887 20 5 BDBDMN O=C(N[C@H]1C[C@@H]1c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839576874 585330754 /nfs/dbraw/zinc/33/07/54/585330754.db2.gz QHHBGUBKBVGUOZ-WISYIIOYSA-N 0 1 246.266 1.324 20 5 BDBDMN O=C(NC[C@H]1CC=CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839584817 585332135 /nfs/dbraw/zinc/33/21/35/585332135.db2.gz WDYKPUXEDSADDF-IVZWLZJFSA-N 0 1 224.260 1.124 20 5 BDBDMN CC(C)(C)CCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839657512 585333528 /nfs/dbraw/zinc/33/35/28/585333528.db2.gz KXEGAOIHZROWJV-NXEZZACHSA-N 0 1 242.319 1.984 20 5 BDBDMN C[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1C ZINC000839688250 585335186 /nfs/dbraw/zinc/33/51/86/585335186.db2.gz BLVYCUNPZWXUHL-AXTSPUMRSA-N 0 1 226.276 1.299 20 5 BDBDMN CC[C@@H](C)CN(CC)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839697757 585335597 /nfs/dbraw/zinc/33/55/97/585335597.db2.gz HLZPPNSZJAKYTL-OPRDCNLKSA-N 0 1 228.292 1.546 20 5 BDBDMN CC[C@H]1C[C@H](C)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839695937 585335658 /nfs/dbraw/zinc/33/56/58/585335658.db2.gz NERQLJLCNPIJJU-AXTSPUMRSA-N 0 1 226.276 1.299 20 5 BDBDMN CC1(C)CCC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839700092 585335965 /nfs/dbraw/zinc/33/59/65/585335965.db2.gz JIXGHLSKRJYLFR-IWSPIJDZSA-N 0 1 226.276 1.347 20 5 BDBDMN CC1(C)CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839680176 585337223 /nfs/dbraw/zinc/33/72/23/585337223.db2.gz GWLAOJVAIHUYLX-RKDXNWHRSA-N 0 1 226.276 1.300 20 5 BDBDMN CC[C@H]1CC[C@H](C)N1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839717710 585338366 /nfs/dbraw/zinc/33/83/66/585338366.db2.gz LPTSTBIBVJBYGS-AXTSPUMRSA-N 0 1 226.276 1.441 20 5 BDBDMN CC(C)(C)[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839723781 585338747 /nfs/dbraw/zinc/33/87/47/585338747.db2.gz LGCNZKBNDVYXQR-IVZWLZJFSA-N 0 1 240.303 1.546 20 5 BDBDMN O=C(N[C@@H]1CC12CCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000839743545 585339914 /nfs/dbraw/zinc/33/99/14/585339914.db2.gz POOLQOXYOWLOTM-IWSPIJDZSA-N 0 1 224.260 1.101 20 5 BDBDMN CSCCCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000774901184 585668761 /nfs/dbraw/zinc/66/87/61/585668761.db2.gz YCCLKWUFNYJPQB-UHFFFAOYSA-N 0 1 244.272 1.833 20 5 BDBDMN CC1(C)[C@@H](C(F)(F)F)CCN1CC[N+](=O)[O-] ZINC000787735326 585915100 /nfs/dbraw/zinc/91/51/00/585915100.db2.gz FRKATMBEXMJIOM-ZETCQYMHSA-N 0 1 240.225 1.926 20 5 BDBDMN CCN(CC[N+](=O)[O-])Cc1ccccc1 ZINC000791054251 585973323 /nfs/dbraw/zinc/97/33/23/585973323.db2.gz SBYVWBGCUGVNGI-UHFFFAOYSA-N 0 1 208.261 1.785 20 5 BDBDMN O=C(N[C@@H]1CCCC[C@H]1F)[C@@H]1CC1[N+](=O)[O-] ZINC000839851339 586141235 /nfs/dbraw/zinc/14/12/35/586141235.db2.gz GIFCCBRCVVVHKJ-FNCVBFRFSA-N 0 1 230.239 1.049 20 5 BDBDMN CO[C@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000809110278 586496558 /nfs/dbraw/zinc/49/65/58/586496558.db2.gz IKKUNSNDKYNGDK-KNVOCYPGSA-N 0 1 240.215 1.257 20 5 BDBDMN O=C(Oc1ccc(F)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000840247090 586570691 /nfs/dbraw/zinc/57/06/91/586570691.db2.gz WQDNIJSBHUNRKN-RKDXNWHRSA-N 0 1 225.175 1.396 20 5 BDBDMN C[C@@]1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC=CCC1 ZINC000840476086 587199250 /nfs/dbraw/zinc/19/92/50/587199250.db2.gz SEPAHNYUVYJQIA-FXPVBKGRSA-N 0 1 224.260 1.267 20 5 BDBDMN CCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837340745 587867846 /nfs/dbraw/zinc/86/78/46/587867846.db2.gz IEKSAJRPXNIWKM-UHFFFAOYSA-N 0 1 225.200 1.754 20 5 BDBDMN O=C(OC/C=C\c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000840672619 587915909 /nfs/dbraw/zinc/91/59/09/587915909.db2.gz MUIWVCFXTSCTLI-MGNMTHHWSA-N 0 1 247.250 1.908 20 5 BDBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(F)(F)F ZINC000841134391 587947028 /nfs/dbraw/zinc/94/70/28/587947028.db2.gz PPPCDJXCTSNDJN-UOWFLXDJSA-N 0 1 227.138 1.146 20 5 BDBDMN Cc1cc(OC(=O)[C@@H]2CC2[N+](=O)[O-])ccc1F ZINC000841154661 587947820 /nfs/dbraw/zinc/94/78/20/587947820.db2.gz DDMKSKPOHMLVNL-PSASIEDQSA-N 0 1 239.202 1.705 20 5 BDBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccco1 ZINC000842328816 588018358 /nfs/dbraw/zinc/01/83/58/588018358.db2.gz RWIWKGIFWZCXNT-XLPZGREQSA-N 0 1 225.200 1.549 20 5 BDBDMN O=C(OCCCCCCF)[C@@H]1CC1[N+](=O)[O-] ZINC000842361985 588021248 /nfs/dbraw/zinc/02/12/48/588021248.db2.gz PJOBTWXURZKZBD-RKDXNWHRSA-N 0 1 233.239 1.725 20 5 BDBDMN CC[C@](C)(COC(=O)[C@@H]1CC1[N+](=O)[O-])OC ZINC000842375418 588022709 /nfs/dbraw/zinc/02/27/09/588022709.db2.gz GWLUCWQQTQZWAQ-NQMVMOMDSA-N 0 1 231.248 1.010 20 5 BDBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)(C)C ZINC000844970825 588220056 /nfs/dbraw/zinc/22/00/56/588220056.db2.gz YSKFTZLMAHOYMP-BWZBUEFSSA-N 0 1 214.265 1.202 20 5 BDBDMN O=[N+]([O-])CC[N@H+]1CCCC(F)(F)CC1 ZINC000931170434 634242791 /nfs/dbraw/zinc/24/27/91/634242791.db2.gz KNIOCOAGSHSEMQ-UHFFFAOYSA-N 0 1 208.208 1.384 20 5 BDBDMN O=[N+]([O-])CCN1CCCC(F)(F)CC1 ZINC000931170434 634242796 /nfs/dbraw/zinc/24/27/96/634242796.db2.gz KNIOCOAGSHSEMQ-UHFFFAOYSA-N 0 1 208.208 1.384 20 5 BDBDMN COc1cc(C)cc(CNCC[N+](=O)[O-])c1 ZINC000905178539 637662685 /nfs/dbraw/zinc/66/26/85/637662685.db2.gz BCXZTBNIJKVNOO-UHFFFAOYSA-N 0 1 224.260 1.370 20 5 BDBDMN Cc1cc(C)cc([C@H](O)CNCC[N+](=O)[O-])c1 ZINC000905368097 637789854 /nfs/dbraw/zinc/78/98/54/637789854.db2.gz OJTDHBPWNRBMAE-GFCCVEGCSA-N 0 1 238.287 1.203 20 5 BDBDMN C[C@H]1CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000905975245 637990204 /nfs/dbraw/zinc/99/02/04/637990204.db2.gz PYNMUXPDVVKSHW-CABZTGNLSA-N 0 1 236.271 1.722 20 5 BDBDMN O=[N+]([O-])CCN[C@H](CCCO)c1ccccc1 ZINC000930229276 639643821 /nfs/dbraw/zinc/64/38/21/639643821.db2.gz ZFLOOLANFYMNGK-GFCCVEGCSA-N 0 1 238.287 1.367 20 5 BDBDMN CC[C@H](CO)NCc1c(F)cccc1[N+](=O)[O-] ZINC000931767428 640359724 /nfs/dbraw/zinc/35/97/24/640359724.db2.gz QJVJLYHEKDOMFF-MRVPVSSYSA-N 0 1 242.250 1.594 20 5 BDBDMN Cc1nc(C)c(Cn2ccnc2[N+](=O)[O-])[nH]1 ZINC000918396814 642194576 /nfs/dbraw/zinc/19/45/76/642194576.db2.gz MWCRYKAJTDLGFL-UHFFFAOYSA-N 0 1 221.220 1.180 20 5 BDBDMN O=C(OCc1ccccn1)c1ccc([N+](=O)[O-])[nH]1 ZINC000919668440 642368677 /nfs/dbraw/zinc/36/86/77/642368677.db2.gz DUVSQCFBOVJXGC-UHFFFAOYSA-N 0 1 247.210 1.675 20 5 BDBDMN CC(C)(/C=C\Cl)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000928928379 645898122 /nfs/dbraw/zinc/89/81/22/645898122.db2.gz DRZVQRHWARYMHG-MLTUQKMXSA-N 0 1 232.667 1.299 20 5 BDBDMN O=[N+]([O-])CCN(CCc1ccccc1)C1CC1 ZINC000929368246 646100541 /nfs/dbraw/zinc/10/05/41/646100541.db2.gz HUZFMVGPMRWLRH-UHFFFAOYSA-N 0 1 234.299 1.970 20 5 BDBDMN CO[C@]1(C)C[C@@H](N(C)CC[N+](=O)[O-])C1(C)C ZINC000929758204 646291767 /nfs/dbraw/zinc/29/17/67/646291767.db2.gz XPHCEIRBPYKZPS-MWLCHTKSSA-N 0 1 230.308 1.399 20 5 BDBDMN O=C(OCCF)c1ccc([N+](=O)[O-])[nH]1 ZINC000739320810 711504325 /nfs/dbraw/zinc/50/43/25/711504325.db2.gz ACASYRWUZBZVRM-UHFFFAOYSA-N 0 1 202.141 1.049 20 5 BDBDMN CCN1CC[C@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000712596168 712435847 /nfs/dbraw/zinc/43/58/47/712435847.db2.gz UJSDJODLEPFTRT-VIFPVBQESA-N 0 1 236.275 1.496 20 5 BDBDMN Cc1cc(O)c([N+](=O)[O-])c(OC(C)C)n1 ZINC001231261142 977545820 /nfs/dbraw/zinc/54/58/20/977545820.db2.gz YZULPKHXHXCBAK-UHFFFAOYSA-N 0 1 212.205 1.791 20 5 BDBDMN C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)[O-] ZINC000062727000 948954278 /nfs/dbraw/zinc/95/42/78/948954278.db2.gz HAZHANKTALEQLZ-UHFFFAOYSA-N 0 1 238.243 1.154 20 5 BDBDMN O=[N+]([O-])c1ccc([O-])c(O[C@@H]2CCC[NH2+]C2)c1 ZINC001218283170 971675691 /nfs/dbraw/zinc/67/56/91/971675691.db2.gz GHFRYUGMQMQRBV-SECBINFHSA-N 0 1 238.243 1.431 20 5 BDBDMN CC[C@](N)(CO)Nc1c(C)cccc1[N+](=O)[O-] ZINC001170865523 971996290 /nfs/dbraw/zinc/99/62/90/971996290.db2.gz NTQRGMVNKWFBKV-LLVKDONJSA-N 0 1 239.275 1.372 20 5 BDBDMN CC[C@@](N)(CO)Nc1cccc(C)c1[N+](=O)[O-] ZINC001170866494 972003860 /nfs/dbraw/zinc/00/38/60/972003860.db2.gz XHVQRMWNJLJGEU-NSHDSACASA-N 0 1 239.275 1.372 20 5 BDBDMN C[C@H](Cc1ccsc1)N(C)CC[N+](=O)[O-] ZINC001167582184 958945658 /nfs/dbraw/zinc/94/56/58/958945658.db2.gz LYDWSFWFJPAPAG-SECBINFHSA-N 0 1 228.317 1.888 20 5 BDBDMN CC(C)OC1CN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169050010 969368206 /nfs/dbraw/zinc/36/82/06/969368206.db2.gz XWJPEBOQUCMPSM-MNOVXSKESA-N 0 1 242.319 1.541 20 5 BDBDMN O=[N+]([O-])c1ccc(O)cc1OC[C@@H]1CCO1 ZINC001225488486 974525230 /nfs/dbraw/zinc/52/52/30/974525230.db2.gz GFINTQMHOQCZMR-QMMMGPOBSA-N 0 1 225.200 1.468 20 5 BDBDMN COCC[N@@H+](CC[N+](=O)[O-])[C@H]1CC[C@H](C)C1 ZINC001332980984 975352312 /nfs/dbraw/zinc/35/23/12/975352312.db2.gz OVESKXKKTZVXSH-QWRGUYRKSA-N 0 1 230.308 1.400 20 5 BDBDMN O=[N+]([O-])[C@@H]1C[C@H]1c1nnc(C2CCCC2)o1 ZINC001333112957 975445543 /nfs/dbraw/zinc/44/55/43/975445543.db2.gz WSXMAWPUNVNETN-HTQZYQBOSA-N 0 1 223.232 1.860 20 5 BDBDMN O=[N+]([O-])CCN1CCC(c2ccncc2)CC1 ZINC001334201591 976371249 /nfs/dbraw/zinc/37/12/49/976371249.db2.gz MDDPVISMIZHFAY-UHFFFAOYSA-N 0 1 235.287 1.538 20 5 BDBDMN Cn1cnc(Nc2ccc([N+](=O)[O-])cc2)n1 ZINC001174475277 976794058 /nfs/dbraw/zinc/79/40/58/976794058.db2.gz FHHLZEVHAWVJKZ-UHFFFAOYSA-N 0 1 219.204 1.467 20 5 BDBDMN C[N@@H+]1CC[C@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229398679 976861556 /nfs/dbraw/zinc/86/15/56/976861556.db2.gz YBKKXYRDLLDMJX-VIFPVBQESA-N 0 1 238.243 1.383 20 5 BDBDMN C[N@H+]1CC[C@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229398679 976861560 /nfs/dbraw/zinc/86/15/60/976861560.db2.gz YBKKXYRDLLDMJX-VIFPVBQESA-N 0 1 238.243 1.383 20 5 BDBDMN CC(C)N1CCC[C@@H]1C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC001345019428 980523486 /nfs/dbraw/zinc/52/34/86/980523486.db2.gz RIOROXOXWUECJC-VHSXEESVSA-N 0 1 244.291 1.068 20 5 BDBDMN O=C(OC1CSC1)c1ccc([N+](=O)[O-])[nH]1 ZINC001349541141 981573891 /nfs/dbraw/zinc/57/38/91/981573891.db2.gz WGRDCKRIEWPYFB-UHFFFAOYSA-N 0 1 228.229 1.195 20 5 BDBDMN Cc1ncn(-c2cc(O)cc([N+](=O)[O-])c2)c1N ZINC001199819301 983018283 /nfs/dbraw/zinc/01/82/83/983018283.db2.gz PGEKVYCVJOGJBO-UHFFFAOYSA-N 0 1 234.215 1.377 20 5 BDBDMN COCCC[C@@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001516999062 989191930 /nfs/dbraw/zinc/19/19/30/989191930.db2.gz XQLWZOMSPKRSNY-IWSPIJDZSA-N 0 1 231.248 1.010 20 5 BDBDMN C[C@H]1[C@@H](O)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC001559839769 991280452 /nfs/dbraw/zinc/28/04/52/991280452.db2.gz MZYUUENDDGGTCN-CABZTGNLSA-N 0 1 236.271 1.550 20 5 BDBDMN Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)c1nnc[nH]1 ZINC000226500368 178274884 /nfs/dbraw/zinc/27/48/84/178274884.db2.gz XYCBPYZNTBPXFG-ZETCQYMHSA-N 0 1 248.246 1.589 20 5 BDBDMN O=[N+]([O-])c1cc(CNCC2(CO)CC2)cs1 ZINC000118906862 343539516 /nfs/dbraw/zinc/53/95/16/343539516.db2.gz AFKDJAPKLQQMBE-UHFFFAOYSA-N 0 1 242.300 1.518 20 5 BDBDMN CN[C@@H](C)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000310866886 343588947 /nfs/dbraw/zinc/58/89/47/343588947.db2.gz RRGXSKWWAZGYQJ-QMMMGPOBSA-N 0 1 247.258 1.456 20 5 BDBDMN C[C@@H](CO)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000610369892 343948962 /nfs/dbraw/zinc/94/89/62/343948962.db2.gz OTIPQPLRADCLGA-SNVBAGLBSA-N 0 1 238.287 1.655 20 5 BDBDMN O=[N+]([O-])c1ccccc1N1CCc2cn[nH]c2C1 ZINC000611006655 344219723 /nfs/dbraw/zinc/21/97/23/344219723.db2.gz LKJDISKMVPHTOC-UHFFFAOYSA-N 0 1 244.254 1.881 20 5 BDBDMN C[C@H](Nc1sccc1[N+](=O)[O-])c1nnc[nH]1 ZINC000309419696 347059631 /nfs/dbraw/zinc/05/96/31/347059631.db2.gz AGCUKBXGPCKZPA-YFKPBYRVSA-N 0 1 239.260 1.948 20 5 BDBDMN O=[N+]([O-])c1ccc(-c2nc([C@H]3CCC[NH2+]3)no2)[n-]1 ZINC000592357300 347772795 /nfs/dbraw/zinc/77/27/95/347772795.db2.gz VQSIOZWBCLCKDJ-ZCFIWIBFSA-N 0 1 249.230 1.397 20 5 BDBDMN Cc1cc([N+](=O)[O-])cnc1N(C)Cc1cnc[nH]1 ZINC000596306399 348492175 /nfs/dbraw/zinc/49/21/75/348492175.db2.gz PUYYUIKGGUPZQK-UHFFFAOYSA-N 0 1 247.258 1.658 20 5 BDBDMN Cc1nnc([C@H](C)n2cc([N+](=O)[O-])c(C)n2)[nH]1 ZINC000413004838 191336662 /nfs/dbraw/zinc/33/66/62/191336662.db2.gz UNPCNWFSXIOFBW-LURJTMIESA-N 0 1 236.235 1.136 20 5 BDBDMN C[C@H]1CN(C)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000580358816 356432070 /nfs/dbraw/zinc/43/20/70/356432070.db2.gz MSKPEVKYXUETKL-VIFPVBQESA-N 0 1 236.275 1.130 20 5 BDBDMN C[C@H](CC(N)=O)NCc1csc([N+](=O)[O-])c1 ZINC000160802432 358709584 /nfs/dbraw/zinc/70/95/84/358709584.db2.gz FYRZXIALDZNAHS-ZCFIWIBFSA-N 0 1 243.288 1.010 20 5 BDBDMN C[C@@H]1CC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000444463884 193047152 /nfs/dbraw/zinc/04/71/52/193047152.db2.gz HIFPFUJEYCGTNX-RQJHMYQMSA-N 0 1 238.247 1.236 20 5 BDBDMN C[C@@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])CO1 ZINC000401952632 369375612 /nfs/dbraw/zinc/37/56/12/369375612.db2.gz VVUCSGPXUWRNEQ-MWLCHTKSSA-N 0 1 236.271 1.862 20 5 BDBDMN COc1cc([N+](=O)[O-])ccc1-n1[nH]c(C)cc1=O ZINC000601934516 371776753 /nfs/dbraw/zinc/77/67/53/371776753.db2.gz CDZWKDKWMOEYOJ-UHFFFAOYSA-N 0 1 249.226 1.716 20 5 BDBDMN O=[N+]([O-])c1ccc(CN2C[C@@H]3C[C@]3(O)C2)cc1 ZINC000603090735 371868235 /nfs/dbraw/zinc/86/82/35/371868235.db2.gz ROFOZHYNWNPQBY-JQWIXIFHSA-N 0 1 234.255 1.161 20 5 BDBDMN C[C@@H]1CCCCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602758212 371838103 /nfs/dbraw/zinc/83/81/03/371838103.db2.gz DQUWWFIXZLMFTP-SECBINFHSA-N 0 1 238.291 1.703 20 5 BDBDMN Cn1cc(CNCc2cccc([N+](=O)[O-])c2)cn1 ZINC000041158984 374116661 /nfs/dbraw/zinc/11/66/61/374116661.db2.gz PJKNGUCUEKLVBU-UHFFFAOYSA-N 0 1 246.270 1.618 20 5 BDBDMN O=[N+]([O-])c1cc(CNC2(CO)CCC2)cs1 ZINC000157497171 384015086 /nfs/dbraw/zinc/01/50/86/384015086.db2.gz DPNNCGHVKMALME-UHFFFAOYSA-N 0 1 242.300 1.661 20 5 BDBDMN C[C@]1(O)CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000178015828 384194953 /nfs/dbraw/zinc/19/49/53/384194953.db2.gz RSSCOLPPUFMHMZ-LBPRGKRZSA-N 0 1 236.271 1.552 20 5 BDBDMN C[C@H](CO)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000158876247 384560829 /nfs/dbraw/zinc/56/08/29/384560829.db2.gz UQKXNWJWTQJNFG-SECBINFHSA-N 0 1 224.260 1.407 20 5 BDBDMN C[C@H]1CN(C)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000353602853 385238175 /nfs/dbraw/zinc/23/81/75/385238175.db2.gz FILXQKOAYPNTEP-NSHDSACASA-N 0 1 249.314 1.731 20 5 BDBDMN CC(C)CCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159802506 385738345 /nfs/dbraw/zinc/73/83/45/385738345.db2.gz PDEKLZSUTLPVRJ-UHFFFAOYSA-N 0 1 240.263 1.484 20 5 BDBDMN CN(CCCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282529533 385768596 /nfs/dbraw/zinc/76/85/96/385768596.db2.gz QGXIUKNGODZAMF-UHFFFAOYSA-N 0 1 242.250 1.548 20 5 BDBDMN Cc1[nH]nc(C(=O)N2C[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000294276543 385978063 /nfs/dbraw/zinc/97/80/63/385978063.db2.gz UFHIYYYIRYNZOE-CAHLUQPWSA-N 0 1 238.247 1.107 20 5 BDBDMN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(N)=O ZINC000035149283 386465515 /nfs/dbraw/zinc/46/55/15/386465515.db2.gz BDYUBJBRMAUCNX-YUMQZZPRSA-N 0 1 237.259 1.119 20 5 BDBDMN CCN(CCO)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000269475026 387184781 /nfs/dbraw/zinc/18/47/81/387184781.db2.gz VJANDOQFQZVPAO-JTQLQIEISA-N 0 1 238.287 1.970 20 5 BDBDMN C[C@H](N[C@@H]1CCNC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000296824066 388035418 /nfs/dbraw/zinc/03/54/18/388035418.db2.gz VVSIVIFIMDDGQF-GZMMTYOYSA-N 0 1 249.270 1.134 20 5 BDBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CC(C2CCCC2)C1 ZINC000372976050 388084971 /nfs/dbraw/zinc/08/49/71/388084971.db2.gz DKFKTVPNOGTNKE-QWRGUYRKSA-N 0 1 238.287 1.300 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC12CCC2 ZINC000373070188 388098896 /nfs/dbraw/zinc/09/88/96/388098896.db2.gz MXOGKULXXDGEEZ-BDAKNGLRSA-N 0 1 224.260 1.197 20 5 BDBDMN Cc1n[nH]cc1Nc1ncc([N+](=O)[O-])cn1 ZINC000354524765 388379733 /nfs/dbraw/zinc/37/97/33/388379733.db2.gz CGIHUUBMATZHHJ-UHFFFAOYSA-N 0 1 220.192 1.160 20 5 BDBDMN C[C@H](CO)N(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000122352556 388381435 /nfs/dbraw/zinc/38/14/35/388381435.db2.gz BPPZUOPDGARBGB-MRVPVSSYSA-N 0 1 242.250 1.547 20 5 BDBDMN O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1Cc2ccccc2CO1 ZINC000377171322 388724900 /nfs/dbraw/zinc/72/49/00/388724900.db2.gz FYABBDDHFMQOIU-QWRGUYRKSA-N 0 1 248.238 1.126 20 5 BDBDMN CN(Cc1ccccc1[N+](=O)[O-])C1CC(O)C1 ZINC000332420009 388790093 /nfs/dbraw/zinc/79/00/93/388790093.db2.gz BMUJAVTXOHALLM-UHFFFAOYSA-N 0 1 236.271 1.550 20 5 BDBDMN O=[N+]([O-])c1cnccc1NCCCc1nc[nH]n1 ZINC000080589190 135382898 /nfs/dbraw/zinc/38/28/98/135382898.db2.gz PVPFAFLQSQIEHR-UHFFFAOYSA-N 0 1 248.246 1.153 20 5 BDBDMN CN(Cc1nnc[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC000174825548 172936955 /nfs/dbraw/zinc/93/69/55/172936955.db2.gz AMGJUXDARWSKTF-UHFFFAOYSA-N 0 1 247.258 1.345 20 5 BDBDMN C[C@@H]1CCC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000152788979 176149653 /nfs/dbraw/zinc/14/96/53/176149653.db2.gz GYKAONNMTYHKLS-RNFRBKRXSA-N 0 1 238.247 1.236 20 5 BDBDMN C[C@@H]1C[C@@H](C)N(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355343972 176362448 /nfs/dbraw/zinc/36/24/48/176362448.db2.gz PKGFYIPXEOJNKN-RKDXNWHRSA-N 0 1 238.291 1.559 20 5 BDBDMN O=C(N[C@@H]1CCc2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000855738633 588846328 /nfs/dbraw/zinc/84/63/28/588846328.db2.gz PZPJTXSPBJVNIO-IJLUTSLNSA-N 0 1 246.266 1.455 20 5 BDBDMN O=C(OCC[C@@H]1CC[C@H]2C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC000893795053 583222762 /nfs/dbraw/zinc/22/27/62/583222762.db2.gz OTNXYGSYZHGYIC-LADJIXMOSA-N 0 1 239.271 1.631 20 5 BDBDMN CCC[C@@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840671255 583407064 /nfs/dbraw/zinc/40/70/64/583407064.db2.gz SGACLNKUWBDZDI-BWZBUEFSSA-N 0 1 201.222 1.383 20 5 BDBDMN O=[N+]([O-])CCNCCc1c(F)cccc1F ZINC000899871952 584244251 /nfs/dbraw/zinc/24/42/51/584244251.db2.gz VUFHHASNSIWRMB-UHFFFAOYSA-N 0 1 230.214 1.374 20 5 BDBDMN O=[N+]([O-])CCN[C@H]1CCc2cc(F)ccc21 ZINC000899873854 584245046 /nfs/dbraw/zinc/24/50/46/584245046.db2.gz VXJJMTGJBJODMI-NSHDSACASA-N 0 1 224.235 1.679 20 5 BDBDMN CCc1cc(CNc2ncccc2[N+](=O)[O-])n[nH]1 ZINC000732920861 584941851 /nfs/dbraw/zinc/94/18/51/584941851.db2.gz OMBGOEDIYKDACL-UHFFFAOYSA-N 0 1 247.258 1.887 20 5 BDBDMN COC[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000733706796 584952416 /nfs/dbraw/zinc/95/24/16/584952416.db2.gz QGGWBVVDEMZZOK-ZCFIWIBFSA-N 0 1 228.204 1.115 20 5 BDBDMN CC(C)CCC[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839484390 585105110 /nfs/dbraw/zinc/10/51/10/585105110.db2.gz CHNMKCKLJFNJQF-HBNTYKKESA-N 0 1 242.319 1.983 20 5 BDBDMN CC[C@H]1C[C@H](C)CN1Cn1nccc1[N+](=O)[O-] ZINC000744442074 585150231 /nfs/dbraw/zinc/15/02/31/585150231.db2.gz WHIZIGNYDZSCJH-UWVGGRQHSA-N 0 1 238.291 1.869 20 5 BDBDMN CC(C)[C@H]1CCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000755919614 585310611 /nfs/dbraw/zinc/31/06/11/585310611.db2.gz JDNFIEPIBCNTHV-JTQLQIEISA-N 0 1 238.291 1.727 20 5 BDBDMN C[C@H](c1ccncc1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839547680 585330416 /nfs/dbraw/zinc/33/04/16/585330416.db2.gz JBVSIIJMJRWFPP-FBIMIBRVSA-N 0 1 249.270 1.266 20 5 BDBDMN CCC1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839621284 585332326 /nfs/dbraw/zinc/33/23/26/585332326.db2.gz CHGPLGZABGPETJ-NXEZZACHSA-N 0 1 240.303 1.690 20 5 BDBDMN C[C@@H]1c2ccccc2CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839695608 585335752 /nfs/dbraw/zinc/33/57/52/585335752.db2.gz JGPJXJOHGRVVTI-GGZOMVNGSA-N 0 1 246.266 1.755 20 5 BDBDMN C[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCS1 ZINC000839737495 585337406 /nfs/dbraw/zinc/33/74/06/585337406.db2.gz VGULJFFREHSXDS-DJLDLDEBSA-N 0 1 244.316 1.006 20 5 BDBDMN O=C(N[C@H]1CC12CCCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000839717324 585338447 /nfs/dbraw/zinc/33/84/47/585338447.db2.gz KIUHHJFYLLLGEV-BBBLOLIVSA-N 0 1 238.287 1.491 20 5 BDBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC(C)(C)C1 ZINC000839724778 585338737 /nfs/dbraw/zinc/33/87/37/585338737.db2.gz RIRKOQRQIGKKEC-IVZWLZJFSA-N 0 1 240.303 1.546 20 5 BDBDMN O=C(NC1CCC2(CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839741689 585339516 /nfs/dbraw/zinc/33/95/16/585339516.db2.gz VTACAWKDHSNSGE-NXEZZACHSA-N 0 1 238.287 1.491 20 5 BDBDMN C[C@H]1CCC[C@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839754855 585340244 /nfs/dbraw/zinc/34/02/44/585340244.db2.gz XFWZKGVKTGWCPH-AXTSPUMRSA-N 0 1 226.276 1.204 20 5 BDBDMN CC(C)[C@@H]1N(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1(C)C ZINC000839779887 585341637 /nfs/dbraw/zinc/34/16/37/585341637.db2.gz VBZRMIDPUZUUIJ-BBBLOLIVSA-N 0 1 240.303 1.545 20 5 BDBDMN O=[N+]([O-])c1ccccc1CN1C[C@H]2C[C@@]2(CO)C1 ZINC000782623123 585823154 /nfs/dbraw/zinc/82/31/54/585823154.db2.gz YWWBWDXJGGJJRO-YPMHNXCESA-N 0 1 248.282 1.409 20 5 BDBDMN O=[N+]([O-])c1ccn(C2CCN(CCF)CC2)n1 ZINC000785857170 585882061 /nfs/dbraw/zinc/88/20/61/585882061.db2.gz CJJRXVLAQZZPAE-UHFFFAOYSA-N 0 1 242.254 1.398 20 5 BDBDMN C[C@@H]1CCN(CC[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000791055810 585973742 /nfs/dbraw/zinc/97/37/42/585973742.db2.gz YVDPIBJRKVYIKB-GHMZBOCLSA-N 0 1 238.291 1.043 20 5 BDBDMN CC(C)(C)OCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840670938 587915722 /nfs/dbraw/zinc/91/57/22/587915722.db2.gz YXSXYVLKMFHPDG-HTQZYQBOSA-N 0 1 231.248 1.010 20 5 BDBDMN O=C(OCCCc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000840673131 587915783 /nfs/dbraw/zinc/91/57/83/587915783.db2.gz QZUKTJFMTVNVRL-VXGBXAGGSA-N 0 1 249.266 1.828 20 5 BDBDMN Cc1cc(C)cc(OC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000841003194 587935042 /nfs/dbraw/zinc/93/50/42/587935042.db2.gz PTZDLNUWAUMFSO-GHMZBOCLSA-N 0 1 235.239 1.874 20 5 BDBDMN O=C(OCCOC1CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000842293900 588014905 /nfs/dbraw/zinc/01/49/05/588014905.db2.gz XZRMWVLMFIVGHW-NXEZZACHSA-N 0 1 243.259 1.154 20 5 BDBDMN CCC[C@H](CC)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842320690 588017176 /nfs/dbraw/zinc/01/71/76/588017176.db2.gz KHLKGPKNBWHKLO-DJLDLDEBSA-N 0 1 215.249 1.774 20 5 BDBDMN C[C@H]1CC(OC(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H](C)O1 ZINC000842337034 588019492 /nfs/dbraw/zinc/01/94/92/588019492.db2.gz ZDVCIGVQURQKHY-AKEJEFCPSA-N 0 1 243.259 1.151 20 5 BDBDMN O=C(OC[C@@H]1CCC1(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000851320430 588601382 /nfs/dbraw/zinc/60/13/82/588601382.db2.gz PRYMBWNBOQSOQS-RRKCRQDMSA-N 0 1 235.186 1.240 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC(c2ccccc2)C1 ZINC000869811801 589632055 /nfs/dbraw/zinc/63/20/55/589632055.db2.gz MESZPERJCLCNHF-VXGBXAGGSA-N 0 1 246.266 1.278 20 5 BDBDMN CCC(C)(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000870292694 589656179 /nfs/dbraw/zinc/65/61/79/589656179.db2.gz CRGXPGJDUCFMBM-RKDXNWHRSA-N 0 1 228.292 1.594 20 5 BDBDMN C[C@H](O)CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872016325 589856210 /nfs/dbraw/zinc/85/62/10/589856210.db2.gz IDFXZOZIPJGRHP-YUMQZZPRSA-N 0 1 242.250 1.765 20 5 BDBDMN C[C@H](CO)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872023075 589856857 /nfs/dbraw/zinc/85/68/57/589856857.db2.gz BXHJGYOGQRDXGC-HTQZYQBOSA-N 0 1 242.250 1.765 20 5 BDBDMN Cc1ccc(OC[C@H](C)NCC[N+](=O)[O-])cc1 ZINC000905065608 637599704 /nfs/dbraw/zinc/59/97/04/637599704.db2.gz ISAOCRMJICUGEV-NSHDSACASA-N 0 1 238.287 1.629 20 5 BDBDMN O=[N+]([O-])CCNC[C@@H]1OCCc2ccccc21 ZINC000905110149 637617271 /nfs/dbraw/zinc/61/72/71/637617271.db2.gz JBKVPSJILCEVKD-LBPRGKRZSA-N 0 1 236.271 1.167 20 5 BDBDMN Cc1nc2c(s1)[C@@H](NCC[N+](=O)[O-])CCC2 ZINC000905200691 637693933 /nfs/dbraw/zinc/69/39/33/637693933.db2.gz HMZGELHGACEDOA-QMMMGPOBSA-N 0 1 241.316 1.695 20 5 BDBDMN Cc1nc2cc(NCC[N+](=O)[O-])ccc2n1C ZINC000905324372 637748723 /nfs/dbraw/zinc/74/87/23/637748723.db2.gz JZJPHDTWNOMSON-UHFFFAOYSA-N 0 1 234.259 1.570 20 5 BDBDMN O=[N+]([O-])CCN1CCC[C@@H](c2ccncc2)C1 ZINC000930477839 639775991 /nfs/dbraw/zinc/77/59/91/639775991.db2.gz MYIYWIQFJTVFNE-GFCCVEGCSA-N 0 1 235.287 1.538 20 5 BDBDMN CO[C@H]1c2ccccc2C[C@H]1NCC[N+](=O)[O-] ZINC000930711432 639875386 /nfs/dbraw/zinc/87/53/86/639875386.db2.gz MHQOXOIEBJXFBP-NEPJUHHUSA-N 0 1 236.271 1.165 20 5 BDBDMN O=[N+]([O-])CCN1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000931922905 640390425 /nfs/dbraw/zinc/39/04/25/640390425.db2.gz KYCPGWIASYQPSC-OLZOCXBDSA-N 0 1 232.283 1.537 20 5 BDBDMN C[C@@H]1COC[C@@H]1NCc1cccnc1[N+](=O)[O-] ZINC000932489767 640553486 /nfs/dbraw/zinc/55/34/86/640553486.db2.gz SEBMWZZIQQVCGO-SCZZXKLOSA-N 0 1 237.259 1.114 20 5 BDBDMN Cc1nc(C)c(Cn2cccc([N+](=O)[O-])c2=O)[nH]1 ZINC000916832710 641979331 /nfs/dbraw/zinc/97/93/31/641979331.db2.gz UPCCHROTLDCVTP-UHFFFAOYSA-N 0 1 248.242 1.145 20 5 BDBDMN CC(C)N(CC1CC1)Cn1nccc1[N+](=O)[O-] ZINC000917430089 642061974 /nfs/dbraw/zinc/06/19/74/642061974.db2.gz DQYGAUHEZXWHHE-UHFFFAOYSA-N 0 1 238.291 1.869 20 5 BDBDMN C/C=C/COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000919668124 642368301 /nfs/dbraw/zinc/36/83/01/642368301.db2.gz GCPKNECIXKQNRU-NSCUHMNNSA-N 0 1 210.189 1.656 20 5 BDBDMN CC1(C)CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839730351 644631043 /nfs/dbraw/zinc/63/10/43/644631043.db2.gz DRUXCFNZLSQVCV-RKDXNWHRSA-N 0 1 226.276 1.204 20 5 BDBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CC[C@H]2C[C@H]21 ZINC000815079218 644951145 /nfs/dbraw/zinc/95/11/45/644951145.db2.gz NNLYMBMGNRFCDY-QPUJVOFHSA-N 0 1 234.255 1.895 20 5 BDBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CC[C@H]2C[C@H]21 ZINC000815079218 644951148 /nfs/dbraw/zinc/95/11/48/644951148.db2.gz NNLYMBMGNRFCDY-QPUJVOFHSA-N 0 1 234.255 1.895 20 5 BDBDMN CO[C@@]1(C)C[C@H](N(C)CC[N+](=O)[O-])C1(C)C ZINC000929758205 646290687 /nfs/dbraw/zinc/29/06/87/646290687.db2.gz XPHCEIRBPYKZPS-ONGXEEELSA-N 0 1 230.308 1.399 20 5 BDBDMN O=[N+]([O-])CCN1CCS[C@@H]2CCCC[C@@H]21 ZINC000791053536 712421866 /nfs/dbraw/zinc/42/18/66/712421866.db2.gz TWOOJHMOLGDKMI-VHSXEESVSA-N 0 1 230.333 1.623 20 5 BDBDMN C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])s2)CCN1C ZINC000719572887 712811325 /nfs/dbraw/zinc/81/13/25/712811325.db2.gz VQFXNQKSMPPPBD-RNFRBKRXSA-N 0 1 242.304 1.556 20 5 BDBDMN CC(C)OC1CN([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169050011 969368990 /nfs/dbraw/zinc/36/89/90/969368990.db2.gz XWJPEBOQUCMPSM-QWRGUYRKSA-N 0 1 242.319 1.541 20 5 BDBDMN Cc1cnc(CN)n1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168979182 969298046 /nfs/dbraw/zinc/29/80/46/969298046.db2.gz WZCQWXUHUJFNPO-UWVGGRQHSA-N 0 1 238.291 1.268 20 5 BDBDMN C[C@@H]1CN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169005974 969329869 /nfs/dbraw/zinc/32/98/69/969329869.db2.gz DTVWDJRRUCLGFX-MXWKQRLJSA-N 0 1 240.303 1.343 20 5 BDBDMN O=[N+]([O-])C[C@H]1CC[C@@H](N2Cc3cncnc3C2)C1 ZINC001169008692 969332857 /nfs/dbraw/zinc/33/28/57/969332857.db2.gz UBLFMQUYRYJNTI-GXSJLCMTSA-N 0 1 248.286 1.238 20 5 BDBDMN O=[N+]([O-])C[C@@H]1CC[C@H](N2CC3(C2)CCCO3)C1 ZINC001169014451 969341666 /nfs/dbraw/zinc/34/16/66/969341666.db2.gz ZWQWHVYVCJOVTG-MNOVXSKESA-N 0 1 240.303 1.297 20 5 BDBDMN O=[N+]([O-])c1cc(Nc2ncccn2)ccc1O ZINC001210392584 969882325 /nfs/dbraw/zinc/88/23/25/969882325.db2.gz HFXAKLGNDRVGKX-UHFFFAOYSA-N 0 1 232.199 1.834 20 5 BDBDMN O=[N+]([O-])c1ccc(O[C@H]2CN3CCC2CC3)nc1 ZINC001225632924 974609182 /nfs/dbraw/zinc/60/91/82/974609182.db2.gz OAQSBUUQJYMQPZ-NSHDSACASA-N 0 1 249.270 1.463 20 5 BDBDMN CN1CC[C@@H](Oc2cccc([N+](=O)[O-])c2F)C1 ZINC001225793748 974684201 /nfs/dbraw/zinc/68/42/01/974684201.db2.gz DUNZHLOZNJCQLC-MRVPVSSYSA-N 0 1 240.234 1.817 20 5 BDBDMN CN1CC[C@@H](Oc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001225906351 974725626 /nfs/dbraw/zinc/72/56/26/974725626.db2.gz XAEPRVBHKXESPD-SECBINFHSA-N 0 1 240.234 1.817 20 5 BDBDMN O=[N+]([O-])c1ccc(O[C@@H]2CN3CCC2CC3)cn1 ZINC001226710879 975040796 /nfs/dbraw/zinc/04/07/96/975040796.db2.gz WYFRHQWDHRPUKX-LLVKDONJSA-N 0 1 249.270 1.463 20 5 BDBDMN CN1CC[C@@H](Oc2ccccc2[N+](=O)[O-])C1 ZINC001227482648 975469209 /nfs/dbraw/zinc/46/92/09/975469209.db2.gz KCPFAGSZEHLHPX-SECBINFHSA-N 0 1 222.244 1.678 20 5 BDBDMN CC[C@@H](C)Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229376082 976852282 /nfs/dbraw/zinc/85/22/82/976852282.db2.gz PRDVWOYPUWHKNR-RXMQYKEDSA-N 0 1 227.220 1.576 20 5 BDBDMN Cc1cc(O)c([N+](=O)[O-])c(OC[C@H]2CCO2)n1 ZINC001231260737 977548180 /nfs/dbraw/zinc/54/81/80/977548180.db2.gz WDEZMUJCSYTBQD-SSDOTTSWSA-N 0 1 240.215 1.172 20 5 BDBDMN Cc1cc(O)c([N+](=O)[O-])c(O[C@@H]2CCOC2)n1 ZINC001231259234 977550758 /nfs/dbraw/zinc/55/07/58/977550758.db2.gz IBYVAPXLWSKWRY-SSDOTTSWSA-N 0 1 240.215 1.172 20 5 BDBDMN COC[C@H](C)Oc1nc(C)cc(O)c1[N+](=O)[O-] ZINC001231259790 977550793 /nfs/dbraw/zinc/55/07/93/977550793.db2.gz PQORBDGHTUSJGD-ZETCQYMHSA-N 0 1 242.231 1.418 20 5 BDBDMN O=[N+]([O-])CCNCc1cccc(C(F)F)c1 ZINC001337853894 978529965 /nfs/dbraw/zinc/52/99/65/978529965.db2.gz KQKVWOGOECZLJV-UHFFFAOYSA-N 0 1 230.214 1.991 20 5 BDBDMN Cc1ncc([N+](=O)[O-])cc1-n1cncc1N ZINC001249545139 989307236 /nfs/dbraw/zinc/30/72/36/989307236.db2.gz DIFRDRZVLOMSOJ-UHFFFAOYSA-N 0 1 219.204 1.066 20 5 BDBDMN CC[C@H]1CCCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602449223 349550994 /nfs/dbraw/zinc/55/09/94/349550994.db2.gz PAJZSRGGZXZSQZ-JTQLQIEISA-N 0 1 238.291 1.703 20 5 BDBDMN CCN(Cc1cn(C)nc1[N+](=O)[O-])CC(C)C ZINC000602439232 342913711 /nfs/dbraw/zinc/91/37/11/342913711.db2.gz IINYQOOMODCIQP-UHFFFAOYSA-N 0 1 240.307 1.806 20 5 BDBDMN O=[N+]([O-])c1ccc(CN2CC[C@H](O)C2)cc1 ZINC000061707771 398343622 /nfs/dbraw/zinc/34/36/22/398343622.db2.gz PYCWMKHHQBPRTP-NSHDSACASA-N 0 1 222.244 1.161 20 5 BDBDMN O=[N+]([O-])c1ccc(CN[C@H]2C[C@H](O)C2)c(F)c1 ZINC000595000356 348168492 /nfs/dbraw/zinc/16/84/92/348168492.db2.gz GCIPTOSFJFAWLZ-CZMCAQCFSA-N 0 1 240.234 1.347 20 5 BDBDMN Cc1nc(N[C@H](C)c2nnc[nH]2)ccc1[N+](=O)[O-] ZINC000226500127 180025742 /nfs/dbraw/zinc/02/57/42/180025742.db2.gz KBZXOJCYWJXCGQ-SSDOTTSWSA-N 0 1 248.246 1.589 20 5 BDBDMN CN(Cc1cn(C)nc1[N+](=O)[O-])C1CCCC1 ZINC000602432134 371802573 /nfs/dbraw/zinc/80/25/73/371802573.db2.gz WANRFEDVVUZMSX-UHFFFAOYSA-N 0 1 238.291 1.703 20 5 BDBDMN O=[N+]([O-])c1ccc(CN2C[C@H]3C[C@@]3(O)C2)cc1 ZINC000603090738 371868348 /nfs/dbraw/zinc/86/83/48/371868348.db2.gz ROFOZHYNWNPQBY-ZYHUDNBSSA-N 0 1 234.255 1.161 20 5 BDBDMN O=[N+]([O-])c1cccc(CN2C[C@H]3C[C@@]3(O)C2)c1 ZINC000603095861 371868630 /nfs/dbraw/zinc/86/86/30/371868630.db2.gz XPQQFZAUDVMAOI-ZYHUDNBSSA-N 0 1 234.255 1.161 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CCC2)CC1 ZINC000376469263 182627323 /nfs/dbraw/zinc/62/73/23/182627323.db2.gz ZVDBMLABCCFESH-ZJUUUORDSA-N 0 1 238.287 1.444 20 5 BDBDMN CCCN(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269215414 169061727 /nfs/dbraw/zinc/06/17/27/169061727.db2.gz XUGPAOZOTQGPCN-UHFFFAOYSA-N 0 1 238.243 1.782 20 5 BDBDMN Cn1cncc1CNCc1ccc([N+](=O)[O-])cc1 ZINC000112343196 383919798 /nfs/dbraw/zinc/91/97/98/383919798.db2.gz YTKISWGNFUGXEN-UHFFFAOYSA-N 0 1 246.270 1.618 20 5 BDBDMN O=[N+]([O-])c1ccccc1CN[C@H]1CCOC1 ZINC000070969038 384486937 /nfs/dbraw/zinc/48/69/37/384486937.db2.gz RBMPHOGCULGLRU-JTQLQIEISA-N 0 1 222.244 1.473 20 5 BDBDMN O=[N+]([O-])c1ccc(CNCCCO)c(Cl)c1 ZINC000049963367 384583286 /nfs/dbraw/zinc/58/32/86/384583286.db2.gz QTAQSUKNNUWGEO-UHFFFAOYSA-N 0 1 244.678 1.720 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CCCC[C@H]21 ZINC000365809176 384616322 /nfs/dbraw/zinc/61/63/22/384616322.db2.gz XINCJSSHLMCUMN-ZYUZMQFOSA-N 0 1 224.260 1.053 20 5 BDBDMN Cc1[nH]nc(C(=O)N2CCC2(C)C)c1[N+](=O)[O-] ZINC000531086902 384879328 /nfs/dbraw/zinc/87/93/28/384879328.db2.gz XKVFFDYBKWPBGC-UHFFFAOYSA-N 0 1 238.247 1.251 20 5 BDBDMN CO[C@H](C)CNCc1ccc([N+](=O)[O-])cc1F ZINC000310336670 384850996 /nfs/dbraw/zinc/85/09/96/384850996.db2.gz LKRYWRHFCOYAKG-MRVPVSSYSA-N 0 1 242.250 1.858 20 5 BDBDMN C[C@@H]1C[C@H](O)CN1Cc1ccccc1[N+](=O)[O-] ZINC000340946940 385309493 /nfs/dbraw/zinc/30/94/93/385309493.db2.gz CQRPPWSOXVPCGZ-KOLCDFICSA-N 0 1 236.271 1.550 20 5 BDBDMN Cc1[nH]ncc1CNc1ncc([N+](=O)[O-])c(C)n1 ZINC000295579440 387306014 /nfs/dbraw/zinc/30/60/14/387306014.db2.gz RXLNINDEHMLNEN-UHFFFAOYSA-N 0 1 248.246 1.337 20 5 BDBDMN Cc1nc([C@@H](C)Nc2ccc([N+](=O)[O-])cn2)n[nH]1 ZINC000286247700 387319383 /nfs/dbraw/zinc/31/93/83/387319383.db2.gz DHIFJGBNVMGMLJ-ZCFIWIBFSA-N 0 1 248.246 1.589 20 5 BDBDMN O=[N+]([O-])c1cccnc1N1CCN2CCC1CC2 ZINC000302778637 387994545 /nfs/dbraw/zinc/99/45/45/387994545.db2.gz QCTQYNDZIKGPBD-UHFFFAOYSA-N 0 1 248.286 1.274 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC(C2CCCC2)C1 ZINC000372976033 388085422 /nfs/dbraw/zinc/08/54/22/388085422.db2.gz DKFKTVPNOGTNKE-GHMZBOCLSA-N 0 1 238.287 1.300 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC12CCCCC2 ZINC000373005294 388085738 /nfs/dbraw/zinc/08/57/38/388085738.db2.gz DZKHBLRJVTYZPK-ZJUUUORDSA-N 0 1 238.287 1.587 20 5 BDBDMN Cc1cnc(N[C@@H](C)c2nnc[nH]2)c([N+](=O)[O-])c1 ZINC000226500683 388351286 /nfs/dbraw/zinc/35/12/86/388351286.db2.gz IKKXWIXLQDLMIX-ZETCQYMHSA-N 0 1 248.246 1.589 20 5 BDBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@H](O)C1 ZINC000271114079 388373381 /nfs/dbraw/zinc/37/33/81/388373381.db2.gz VOYXZLJJQZSHPZ-PYEVWLCESA-N 0 1 248.282 1.675 20 5 BDBDMN Cc1ccc([N+](=O)[O-])c(N[C@@H](C)c2nnc[nH]2)n1 ZINC000226499955 388501117 /nfs/dbraw/zinc/50/11/17/388501117.db2.gz PMZICEGAZQPDJV-ZETCQYMHSA-N 0 1 248.246 1.589 20 5 BDBDMN O=C(N[C@H]1CC12CC2)c1cc(O)cc([N+](=O)[O-])c1 ZINC000424963904 388699131 /nfs/dbraw/zinc/69/91/31/388699131.db2.gz FOUJSXFZTOHSER-JTQLQIEISA-N 0 1 248.238 1.583 20 5 BDBDMN CCN(CC)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000299437818 388838879 /nfs/dbraw/zinc/83/88/79/388838879.db2.gz IINIVRCSVJOKRZ-UHFFFAOYSA-N 0 1 226.236 1.108 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCCCC2 ZINC000371858198 397941420 /nfs/dbraw/zinc/94/14/20/397941420.db2.gz KYPGSNJJGQOCRE-NXEZZACHSA-N 0 1 238.287 1.444 20 5 BDBDMN CCn1cc(Nc2ncc([N+](=O)[O-])cn2)cn1 ZINC000040454636 172188053 /nfs/dbraw/zinc/18/80/53/172188053.db2.gz ZBEFXFTVYQRPSF-UHFFFAOYSA-N 0 1 234.219 1.345 20 5 BDBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000266547843 176025939 /nfs/dbraw/zinc/02/59/39/176025939.db2.gz SIDSGPUHGLAOAT-NSHDSACASA-N 0 1 249.314 1.903 20 5 BDBDMN Cc1[nH]nc(C(=O)N(C)CC(C)C)c1[N+](=O)[O-] ZINC000299508318 177532059 /nfs/dbraw/zinc/53/20/59/177532059.db2.gz FJHMMAZWQFQMJK-UHFFFAOYSA-N 0 1 240.263 1.354 20 5 BDBDMN Cc1nnc(Cn2cc([N+](=O)[O-])c(C3CC3)n2)[nH]1 ZINC000488276816 229180289 /nfs/dbraw/zinc/18/02/89/229180289.db2.gz FDGKDDCOKQMVIG-UHFFFAOYSA-N 0 1 248.246 1.144 20 5 BDBDMN CC(C)(C)c1n[nH]c(SCC[N+](=O)[O-])n1 ZINC000899864158 584244790 /nfs/dbraw/zinc/24/47/90/584244790.db2.gz GDPFJNLGFSNTNB-UHFFFAOYSA-N 0 1 230.293 1.471 20 5 BDBDMN CC(C)(C)c1nc(SCC[N+](=O)[O-])n[nH]1 ZINC000899864158 584244791 /nfs/dbraw/zinc/24/47/91/584244791.db2.gz GDPFJNLGFSNTNB-UHFFFAOYSA-N 0 1 230.293 1.471 20 5 BDBDMN CCC(CC)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839657906 585333538 /nfs/dbraw/zinc/33/35/38/585333538.db2.gz HBVHHMQCLCPPNU-RKDXNWHRSA-N 0 1 214.265 1.204 20 5 BDBDMN O=[N+]([O-])c1ccnn1CN1CC[C@@H]2CCC[C@@H]21 ZINC000902652644 584651629 /nfs/dbraw/zinc/65/16/29/584651629.db2.gz VZNYNFWMJKQIKG-UWVGGRQHSA-N 0 1 236.275 1.623 20 5 BDBDMN C[C@H](C[C@H]1CCOC1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842350982 584892656 /nfs/dbraw/zinc/89/26/56/584892656.db2.gz VVJUBOKALDHBKQ-ZYUZMQFOSA-N 0 1 243.259 1.010 20 5 BDBDMN CC1(C)CC[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000820749114 585014657 /nfs/dbraw/zinc/01/46/57/585014657.db2.gz YZDBMOMJDRMMIX-IWSPIJDZSA-N 0 1 227.260 1.774 20 5 BDBDMN CN(C)c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000839459971 585103456 /nfs/dbraw/zinc/10/34/56/585103456.db2.gz AMBZQMKWXIBSDX-GHMZBOCLSA-N 0 1 249.270 1.356 20 5 BDBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccs1 ZINC000839454924 585104504 /nfs/dbraw/zinc/10/45/04/585104504.db2.gz MIKTUMHWYCYYRX-BWZBUEFSSA-N 0 1 240.284 1.591 20 5 BDBDMN C[C@H](c1ccccc1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839467042 585104828 /nfs/dbraw/zinc/10/48/28/585104828.db2.gz NTSAFLNVOHRGSE-YUSALJHKSA-N 0 1 248.282 1.871 20 5 BDBDMN CC[C@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839487940 585105246 /nfs/dbraw/zinc/10/52/46/585105246.db2.gz XSPANCRVFNVQLD-IVZWLZJFSA-N 0 1 226.276 1.443 20 5 BDBDMN O=C(OCc1cnccn1)c1ccc([N+](=O)[O-])[nH]1 ZINC000744165416 585145159 /nfs/dbraw/zinc/14/51/59/585145159.db2.gz MQPJQHMWPAMAFZ-UHFFFAOYSA-N 0 1 248.198 1.070 20 5 BDBDMN O=C(N[C@@H]1C[C@@H]1c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839576869 585330696 /nfs/dbraw/zinc/33/06/96/585330696.db2.gz QHHBGUBKBVGUOZ-DDHJBXDOSA-N 0 1 246.266 1.324 20 5 BDBDMN CC1(C)CCCC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839702527 585335806 /nfs/dbraw/zinc/33/58/06/585335806.db2.gz QVDUQAUTPSPKLE-OPRDCNLKSA-N 0 1 240.303 1.737 20 5 BDBDMN C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H](C)C1 ZINC000839681476 585337268 /nfs/dbraw/zinc/33/72/68/585337268.db2.gz QOJFMWAJENMSCY-ISUQUUIWSA-N 0 1 240.303 1.593 20 5 BDBDMN CC[C@H](CSC)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839719730 585338427 /nfs/dbraw/zinc/33/84/27/585338427.db2.gz YOZQDFZCWRVRQG-IWSPIJDZSA-N 0 1 246.332 1.252 20 5 BDBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccsc1 ZINC000839760281 585340765 /nfs/dbraw/zinc/34/07/65/585340765.db2.gz VHUJKGVBBNHNIQ-NBEYISGCSA-N 0 1 240.284 1.591 20 5 BDBDMN O=C(O[C@H]1CCCOC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000761332843 585413864 /nfs/dbraw/zinc/41/38/64/585413864.db2.gz WRARWHHAPBIDPX-ZETCQYMHSA-N 0 1 240.215 1.259 20 5 BDBDMN COC[C@@H](C)COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000769339982 585554584 /nfs/dbraw/zinc/55/45/84/585554584.db2.gz NIYMIQQCNRJWAF-SSDOTTSWSA-N 0 1 242.231 1.362 20 5 BDBDMN O=[N+]([O-])CCN1CCS[C@@H]2CCCC[C@H]21 ZINC000791053531 585973224 /nfs/dbraw/zinc/97/32/24/585973224.db2.gz TWOOJHMOLGDKMI-NXEZZACHSA-N 0 1 230.333 1.623 20 5 BDBDMN CCOC[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000792038315 585994570 /nfs/dbraw/zinc/99/45/70/585994570.db2.gz HUVITOQFVUZXNI-SSDOTTSWSA-N 0 1 242.231 1.505 20 5 BDBDMN O=C(Oc1cccc(F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000840246945 586570668 /nfs/dbraw/zinc/57/06/68/586570668.db2.gz TUHHGCHOZXKXKA-RKDXNWHRSA-N 0 1 225.175 1.396 20 5 BDBDMN CC(C)N(CC1CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840264787 586583575 /nfs/dbraw/zinc/58/35/75/586583575.db2.gz NALGPZKFGIYZLI-NXEZZACHSA-N 0 1 226.276 1.299 20 5 BDBDMN C[C@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCC1 ZINC000817753771 586825620 /nfs/dbraw/zinc/82/56/20/586825620.db2.gz QGUOFOFTNMMSGE-SZEHBUNVSA-N 0 1 227.260 1.631 20 5 BDBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1(C)CCCC1 ZINC000840440831 587103318 /nfs/dbraw/zinc/10/33/18/587103318.db2.gz MICDNCABIIMIAB-RKDXNWHRSA-N 0 1 226.276 1.443 20 5 BDBDMN O=C(OCc1c[nH]nn1)c1ccccc1[N+](=O)[O-] ZINC000821586548 587130787 /nfs/dbraw/zinc/13/07/87/587130787.db2.gz DRKMZXFNBRGLPK-UHFFFAOYSA-N 0 1 248.198 1.070 20 5 BDBDMN C[C@@]1(COC(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H]1F ZINC000822098604 587152446 /nfs/dbraw/zinc/15/24/46/587152446.db2.gz IJQHIRJFCVIMED-XVKPBYJWSA-N 0 1 242.206 1.828 20 5 BDBDMN O=C(NCCCCC1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000825661459 587330150 /nfs/dbraw/zinc/33/01/50/587330150.db2.gz IJCVSURKEKDHBQ-NXEZZACHSA-N 0 1 226.276 1.348 20 5 BDBDMN Cc1ccsc1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841170082 587948423 /nfs/dbraw/zinc/94/84/23/587948423.db2.gz AZVQOXZGPGGUNY-HTQZYQBOSA-N 0 1 241.268 1.765 20 5 BDBDMN CC(C)(C)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842300557 588015361 /nfs/dbraw/zinc/01/53/61/588015361.db2.gz LVDHIQBATXSBDO-RNFRBKRXSA-N 0 1 201.222 1.241 20 5 BDBDMN O=C(OCCC1CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000842333289 588018894 /nfs/dbraw/zinc/01/88/94/588018894.db2.gz GSAUKLQROHIFPG-RKDXNWHRSA-N 0 1 213.233 1.385 20 5 BDBDMN CC1(CCOC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000842346292 588020534 /nfs/dbraw/zinc/02/05/34/588020534.db2.gz BVWFZOANNIXZQC-HTQZYQBOSA-N 0 1 213.233 1.385 20 5 BDBDMN C[C@@H](C[C@H]1CCOC1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842350976 588020578 /nfs/dbraw/zinc/02/05/78/588020578.db2.gz VVJUBOKALDHBKQ-SGIHWFKDSA-N 0 1 243.259 1.010 20 5 BDBDMN O=C(OCCCC1CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000849807824 588501971 /nfs/dbraw/zinc/50/19/71/588501971.db2.gz UYPKGXWUBNXIME-NXEZZACHSA-N 0 1 227.260 1.775 20 5 BDBDMN O=C(NC[C@H]1CCCC12CC2)[C@@H]1CC1[N+](=O)[O-] ZINC000863774086 589316389 /nfs/dbraw/zinc/31/63/89/589316389.db2.gz PECASTZPUWVCPF-OPRDCNLKSA-N 0 1 238.287 1.348 20 5 BDBDMN C[C@H]1CSCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000889927969 592663124 /nfs/dbraw/zinc/66/31/24/592663124.db2.gz FBWHKNCJXVPENP-DJLDLDEBSA-N 0 1 244.316 1.006 20 5 BDBDMN C[C@@H](NCCF)c1ccc(N)c([N+](=O)[O-])c1 ZINC000309263353 631980847 /nfs/dbraw/zinc/98/08/47/631980847.db2.gz IRKYIJAUDHFULU-SSDOTTSWSA-N 0 1 227.239 1.797 20 5 BDBDMN Cc1cccc(OCCNCC[N+](=O)[O-])c1 ZINC000905028942 637576905 /nfs/dbraw/zinc/57/69/05/637576905.db2.gz UYMGRFCYTZSWRC-UHFFFAOYSA-N 0 1 224.260 1.240 20 5 BDBDMN O=[N+]([O-])CCN[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000905071693 637604474 /nfs/dbraw/zinc/60/44/74/637604474.db2.gz PRCBGEIBZIQYFB-GHMZBOCLSA-N 0 1 224.235 1.548 20 5 BDBDMN C[C@H](CNCC[N+](=O)[O-])Oc1ccccc1 ZINC000905116253 637621069 /nfs/dbraw/zinc/62/10/69/637621069.db2.gz BQQYFGKBRNWLLL-SNVBAGLBSA-N 0 1 224.260 1.320 20 5 BDBDMN O=[N+]([O-])CCN1CCC([C@@H]2CCCCO2)CC1 ZINC000931022597 640026112 /nfs/dbraw/zinc/02/61/12/640026112.db2.gz YFTZUSVPDZMRCZ-LBPRGKRZSA-N 0 1 242.319 1.544 20 5 BDBDMN Cc1c(CNCCF)cccc1[N+](=O)[O-] ZINC000231885863 641215446 /nfs/dbraw/zinc/21/54/46/641215446.db2.gz AKJRZMWEPHGREO-UHFFFAOYSA-N 0 1 212.224 1.962 20 5 BDBDMN CC(C)[C@@H](C)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839523691 644558415 /nfs/dbraw/zinc/55/84/15/644558415.db2.gz BXSFDRPKQLPLMX-IWSPIJDZSA-N 0 1 214.265 1.155 20 5 BDBDMN CCC1(CC)[C@H](OC)C[C@@H]1N(C)CC[N+](=O)[O-] ZINC000930034432 646404706 /nfs/dbraw/zinc/40/47/06/646404706.db2.gz AUCUKZRPLYNXDA-WDEREUQCSA-N 0 1 244.335 1.789 20 5 BDBDMN C[C@H]1[C@H](Nc2ncc([N+](=O)[O-])s2)CCN1C ZINC000719572884 712811109 /nfs/dbraw/zinc/81/11/09/712811109.db2.gz VQFXNQKSMPPPBD-NKWVEPMBSA-N 0 1 242.304 1.556 20 5 BDBDMN CCCOC1CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169021904 969362410 /nfs/dbraw/zinc/36/24/10/969362410.db2.gz BAGKUBYBKXRXDQ-GHMZBOCLSA-N 0 1 242.319 1.543 20 5 BDBDMN O=[N+]([O-])CCN[C@@H](CCO)c1cccs1 ZINC001335762742 977270234 /nfs/dbraw/zinc/27/02/34/977270234.db2.gz FIXMELKMIVCOTH-QMMMGPOBSA-N 0 1 230.289 1.038 20 5 BDBDMN O=C(Nc1c[nH]nn1)Nc1ccc([N+](=O)[O-])cc1 ZINC001216792685 971174684 /nfs/dbraw/zinc/17/46/84/971174684.db2.gz FGXFUDYKYMAEQE-UHFFFAOYSA-N 0 1 248.202 1.357 20 5 BDBDMN Cc1cnc(CN)n1-c1nc(C)ccc1[N+](=O)[O-] ZINC001169027620 969345661 /nfs/dbraw/zinc/34/56/61/969345661.db2.gz AFHLXXDYKCOZBL-UHFFFAOYSA-N 0 1 247.258 1.251 20 5 BDBDMN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCOCC23CC3)C1 ZINC001169040055 969356257 /nfs/dbraw/zinc/35/62/57/969356257.db2.gz XHCYDSOFLSBIBC-MNOVXSKESA-N 0 1 240.303 1.297 20 5 BDBDMN CN1CC[C@@H](Oc2ncccc2[N+](=O)[O-])C1 ZINC001225591343 974578293 /nfs/dbraw/zinc/57/82/93/974578293.db2.gz XBIVUZDJGZHDDZ-MRVPVSSYSA-N 0 1 223.232 1.073 20 5 BDBDMN CN(CC[N+](=O)[O-])CC1(O)CCCCCC1 ZINC001332939740 975328024 /nfs/dbraw/zinc/32/80/24/975328024.db2.gz ZXCMGLPWTRXSQI-UHFFFAOYSA-N 0 1 230.308 1.280 20 5 BDBDMN Cc1ccc([C@H](C)NCC[N+](=O)[O-])s1 ZINC001334059059 976262422 /nfs/dbraw/zinc/26/24/22/976262422.db2.gz YZIKLRRWMYLYFR-QMMMGPOBSA-N 0 1 214.290 1.984 20 5 BDBDMN O=[N+]([O-])C[C@H](Oc1nnc2c[nH]ccc1-2)C1CC1 ZINC001228989362 976614921 /nfs/dbraw/zinc/61/49/21/976614921.db2.gz HEAAHPHSQYAJAS-JTQLQIEISA-N 0 1 248.242 1.392 20 5 BDBDMN Cc1nccc([N+](=O)[O-])c1O[C@@H]1CCN(C)C1 ZINC001234903378 978928037 /nfs/dbraw/zinc/92/80/37/978928037.db2.gz LVSNPXPKXLEKBN-SECBINFHSA-N 0 1 237.259 1.381 20 5 BDBDMN O=[N+]([O-])[C@@H]1C[C@H]1c1nnc(C2CCOCC2)o1 ZINC001349997259 981839904 /nfs/dbraw/zinc/83/99/04/981839904.db2.gz HXMBEPFPYBOMGW-HTQZYQBOSA-N 0 1 239.231 1.096 20 5 BDBDMN CN(Cc1cnc[nH]1)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001458480064 985315278 /nfs/dbraw/zinc/31/52/78/985315278.db2.gz FSQLWGMWCYIVRJ-UHFFFAOYSA-N 0 1 249.230 1.055 20 5 BDBDMN CCCC1CCN(CC[N+](=O)[O-])CC1 ZINC001119760433 989383466 /nfs/dbraw/zinc/38/34/66/989383466.db2.gz RGOWBIKHVRZVGL-UHFFFAOYSA-N 0 1 200.282 1.775 20 5 BDBDMN CCc1ncc(CNc2ccncc2[N+](=O)[O-])[nH]1 ZINC001307218598 994834856 /nfs/dbraw/zinc/83/48/56/994834856.db2.gz BVWXOCIPFVBWHB-UHFFFAOYSA-N 0 1 247.258 1.309 20 5 BDBDMN O=[N+]([O-])c1ccc(NCc2nnc[nH]2)c(F)c1 ZINC000037920146 342922009 /nfs/dbraw/zinc/92/20/09/342922009.db2.gz RYYWXRPACLDFRD-UHFFFAOYSA-N 0 1 237.194 1.464 20 5 BDBDMN C[C@@H](CO)NCc1csc([N+](=O)[O-])c1 ZINC000037472358 342935762 /nfs/dbraw/zinc/93/57/62/342935762.db2.gz VTNTYCRHHJXEAF-LURJTMIESA-N 0 1 216.262 1.127 20 5 BDBDMN CC1(C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1C1CC1 ZINC000365689772 346922470 /nfs/dbraw/zinc/92/24/70/346922470.db2.gz RBKAAUMXSPNWPJ-KXUCPTDWSA-N 0 1 238.287 1.299 20 5 BDBDMN CN[C@@H](C)c1cn(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000310872560 343589486 /nfs/dbraw/zinc/58/94/86/343589486.db2.gz SWRSPOBQYGNFSU-QMMMGPOBSA-N 0 1 247.258 1.456 20 5 BDBDMN Cc1cc(C)c([N+](=O)[O-])c(NCc2c[nH]nn2)n1 ZINC000611617005 344774750 /nfs/dbraw/zinc/77/47/50/344774750.db2.gz VOXIZBLTACCISQ-UHFFFAOYSA-N 0 1 248.246 1.337 20 5 BDBDMN CO[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000145884785 345711821 /nfs/dbraw/zinc/71/18/21/345711821.db2.gz YNWGNARPAAFMFW-GFCCVEGCSA-N 0 1 236.271 1.816 20 5 BDBDMN CC1(NC(=O)c2n[nH]cc2[N+](=O)[O-])CC=CC1 ZINC000594382521 348040424 /nfs/dbraw/zinc/04/04/24/348040424.db2.gz GQDCFLOLJMMNGD-UHFFFAOYSA-N 0 1 236.231 1.156 20 5 BDBDMN CO[C@@]1(C)C[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000594994070 348167824 /nfs/dbraw/zinc/16/78/24/348167824.db2.gz DKANQYCNPTVPNL-NEPJUHHUSA-N 0 1 236.271 1.862 20 5 BDBDMN C[C@@H](O)C1(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000597235122 348701394 /nfs/dbraw/zinc/70/13/94/348701394.db2.gz VDTZEQWOUQYFTH-SSDOTTSWSA-N 0 1 242.300 1.659 20 5 BDBDMN CC(C)(NC(=O)c1n[nH]cc1[N+](=O)[O-])C1CC1 ZINC000598741560 349036721 /nfs/dbraw/zinc/03/67/21/349036721.db2.gz BCAJODTUNDOJHB-UHFFFAOYSA-N 0 1 238.247 1.236 20 5 BDBDMN O=[N+]([O-])c1ccsc1NCc1c[nH]nn1 ZINC000308925643 349129283 /nfs/dbraw/zinc/12/92/83/349129283.db2.gz KJSQUSPAORYYRL-UHFFFAOYSA-N 0 1 225.233 1.387 20 5 BDBDMN Cc1nc([C@@H](C)Nc2ccncc2[N+](=O)[O-])n[nH]1 ZINC000340875087 180035783 /nfs/dbraw/zinc/03/57/83/180035783.db2.gz LIHJNRCTMZJOBF-ZCFIWIBFSA-N 0 1 248.246 1.011 20 5 BDBDMN O=[N+]([O-])c1ccsc1NCCc1nc[nH]n1 ZINC000309532813 350708769 /nfs/dbraw/zinc/70/87/69/350708769.db2.gz WIROIPWUEWRILJ-UHFFFAOYSA-N 0 1 239.260 1.429 20 5 BDBDMN C[C@@H](N[C@@H](C)C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000035149284 355852862 /nfs/dbraw/zinc/85/28/62/355852862.db2.gz BDYUBJBRMAUCNX-SFYZADRCSA-N 0 1 237.259 1.119 20 5 BDBDMN CCO[C@H]1C[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000583182639 357510865 /nfs/dbraw/zinc/51/08/65/357510865.db2.gz HVLJWHHDSMSZKA-RYUDHWBXSA-N 0 1 236.271 1.862 20 5 BDBDMN CCCCN(CC)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602429249 371803914 /nfs/dbraw/zinc/80/39/14/371803914.db2.gz NUDOCUAYBQXBPR-UHFFFAOYSA-N 0 1 240.307 1.950 20 5 BDBDMN CC[C@@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602487141 371813830 /nfs/dbraw/zinc/81/38/30/371813830.db2.gz UJVAAJWMZAYPCI-SECBINFHSA-N 0 1 238.291 1.560 20 5 BDBDMN C[C@H](CO)[N@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339051953 383888443 /nfs/dbraw/zinc/88/84/43/383888443.db2.gz HCFGRDPCHKENBT-MRVPVSSYSA-N 0 1 240.259 1.113 20 5 BDBDMN C[C@H](CO)[N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339051953 383888451 /nfs/dbraw/zinc/88/84/51/383888451.db2.gz HCFGRDPCHKENBT-MRVPVSSYSA-N 0 1 240.259 1.113 20 5 BDBDMN C[C@@H](N[C@@H]1CCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000179063533 384380183 /nfs/dbraw/zinc/38/01/83/384380183.db2.gz BCXBRRYCZCYUSW-LDYMZIIASA-N 0 1 249.270 1.134 20 5 BDBDMN Cc1cn[nH]c1CNCc1ccccc1[N+](=O)[O-] ZINC000289960005 384531678 /nfs/dbraw/zinc/53/16/78/384531678.db2.gz QRBROHJGDSVRIQ-UHFFFAOYSA-N 0 1 246.270 1.916 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H](C2CC2)C1 ZINC000365614038 384978282 /nfs/dbraw/zinc/97/82/82/384978282.db2.gz DRWOARKSPCUFMG-GMTAPVOTSA-N 0 1 238.287 1.300 20 5 BDBDMN Cc1ccc(CN2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000179950282 385247599 /nfs/dbraw/zinc/24/75/99/385247599.db2.gz SZIDRJLCDDEDRD-LLVKDONJSA-N 0 1 236.271 1.470 20 5 BDBDMN Cn1cnc([N+](=O)[O-])c1N1CCc2cnccc21 ZINC000267293437 386455412 /nfs/dbraw/zinc/45/54/12/386455412.db2.gz SDCUXGVOCRWGRE-UHFFFAOYSA-N 0 1 245.242 1.418 20 5 BDBDMN O=[N+]([O-])c1ccccc1CN1CC[C@@H](CO)C1 ZINC000051886644 386567064 /nfs/dbraw/zinc/56/70/64/386567064.db2.gz ZBCHIJPIUPJUAH-SNVBAGLBSA-N 0 1 236.271 1.409 20 5 BDBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCCC12CCC2 ZINC000373070189 388098745 /nfs/dbraw/zinc/09/87/45/388098745.db2.gz MXOGKULXXDGEEZ-DTWKUNHWSA-N 0 1 224.260 1.197 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC12CCC2 ZINC000373070191 388098749 /nfs/dbraw/zinc/09/87/49/388098749.db2.gz MXOGKULXXDGEEZ-RKDXNWHRSA-N 0 1 224.260 1.197 20 5 BDBDMN O=[N+]([O-])c1ccc(NCCCc2nc[nH]n2)cc1 ZINC000080588677 388712317 /nfs/dbraw/zinc/71/23/17/388712317.db2.gz DBACDEFDHWQQEJ-UHFFFAOYSA-N 0 1 247.258 1.758 20 5 BDBDMN CC[C@H](CO)NCc1csc([N+](=O)[O-])c1 ZINC000037472335 388869448 /nfs/dbraw/zinc/86/94/48/388869448.db2.gz CYGCOKQAPKRPQL-MRVPVSSYSA-N 0 1 230.289 1.517 20 5 BDBDMN COCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000054353790 174280084 /nfs/dbraw/zinc/28/00/84/174280084.db2.gz BMYVKRBOLCVWDA-UHFFFAOYSA-N 0 1 224.260 1.673 20 5 BDBDMN COc1ccc(CN(C)CCO)cc1[N+](=O)[O-] ZINC000048347154 175095567 /nfs/dbraw/zinc/09/55/67/175095567.db2.gz QPIFHNAFIQMDDX-UHFFFAOYSA-N 0 1 240.259 1.028 20 5 BDBDMN C[C@H]1CCC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000152789092 177141974 /nfs/dbraw/zinc/14/19/74/177141974.db2.gz GYKAONNMTYHKLS-NKWVEPMBSA-N 0 1 238.247 1.236 20 5 BDBDMN C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000351956985 177266167 /nfs/dbraw/zinc/26/61/67/177266167.db2.gz DTQOASSSMZZCST-JOYOIKCWSA-N 0 1 236.271 1.407 20 5 BDBDMN CCC1(COC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000842374893 588022599 /nfs/dbraw/zinc/02/25/99/588022599.db2.gz RROOLNJRXDTRSS-HTQZYQBOSA-N 0 1 213.233 1.385 20 5 BDBDMN CCN(Cc1ccccc1[N+](=O)[O-])C[C@@H](C)O ZINC000352210723 535790086 /nfs/dbraw/zinc/79/00/86/535790086.db2.gz HUIJUKRCLDVFDG-SNVBAGLBSA-N 0 1 238.287 1.798 20 5 BDBDMN CCN(Cc1ccccc1[N+](=O)[O-])C[C@H](C)O ZINC000352210722 535790173 /nfs/dbraw/zinc/79/01/73/535790173.db2.gz HUIJUKRCLDVFDG-JTQLQIEISA-N 0 1 238.287 1.798 20 5 BDBDMN C[C@H](c1ccccc1)N(C)CC[N+](=O)[O-] ZINC000791052802 583384540 /nfs/dbraw/zinc/38/45/40/583384540.db2.gz DJEIXLUXTDIXAR-SNVBAGLBSA-N 0 1 208.261 1.956 20 5 BDBDMN C[C@@H]1CC[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000840674653 583429452 /nfs/dbraw/zinc/42/94/52/583429452.db2.gz OEIFMTLUEXIQDS-BZNPZCIMSA-N 0 1 213.233 1.383 20 5 BDBDMN CN1C[C@H]2CC[C@@H](C1)N2c1ncccc1[N+](=O)[O-] ZINC000894878119 583542486 /nfs/dbraw/zinc/54/24/86/583542486.db2.gz FFQOPALPHGLYSP-AOOOYVTPSA-N 0 1 248.286 1.273 20 5 BDBDMN O=[N+]([O-])CCNCc1cccc(Cl)c1 ZINC000899855052 584243057 /nfs/dbraw/zinc/24/30/57/584243057.db2.gz ANVAYMJNYNGZLL-UHFFFAOYSA-N 0 1 214.652 1.706 20 5 BDBDMN O=[N+]([O-])CCNCc1ccc(Cl)cc1 ZINC000899856257 584243201 /nfs/dbraw/zinc/24/32/01/584243201.db2.gz QGPSFRLAXZULES-UHFFFAOYSA-N 0 1 214.652 1.706 20 5 BDBDMN C[C@H]1CCCC[C@H]1OCCNCC[N+](=O)[O-] ZINC000899871912 584244739 /nfs/dbraw/zinc/24/47/39/584244739.db2.gz VIJJCUKQKKTZSA-WDEREUQCSA-N 0 1 230.308 1.448 20 5 BDBDMN C[C@@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839461016 585103528 /nfs/dbraw/zinc/10/35/28/585103528.db2.gz IORSNDQKRKTXBT-IWSPIJDZSA-N 0 1 212.249 1.053 20 5 BDBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839457302 585104762 /nfs/dbraw/zinc/10/47/62/585104762.db2.gz FZGPGMANJVKXQR-FBIMIBRVSA-N 0 1 234.255 1.529 20 5 BDBDMN CCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000839652201 585333413 /nfs/dbraw/zinc/33/34/13/585333413.db2.gz ZPHAJYVDDUZFFN-RKDXNWHRSA-N 0 1 212.249 1.053 20 5 BDBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H](C)S1 ZINC000839690500 585335223 /nfs/dbraw/zinc/33/52/23/585335223.db2.gz GTOJYAKRJVVUOF-FNCVBFRFSA-N 0 1 244.316 1.004 20 5 BDBDMN CC1(C)CCC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839700091 585335933 /nfs/dbraw/zinc/33/59/33/585335933.db2.gz JIXGHLSKRJYLFR-HLTSFMKQSA-N 0 1 226.276 1.347 20 5 BDBDMN C[C@@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H](C)C1 ZINC000839681477 585337250 /nfs/dbraw/zinc/33/72/50/585337250.db2.gz QOJFMWAJENMSCY-MVCUBJFGSA-N 0 1 240.303 1.593 20 5 BDBDMN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839735254 585337416 /nfs/dbraw/zinc/33/74/16/585337416.db2.gz ZNRDSQJNWNFYCL-LMLFDSFASA-N 0 1 240.303 1.737 20 5 BDBDMN CCC[C@@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839727040 585338745 /nfs/dbraw/zinc/33/87/45/585338745.db2.gz UPAXTLYORQRJLA-GMTAPVOTSA-N 0 1 240.303 1.833 20 5 BDBDMN C[C@@H]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839748471 585340278 /nfs/dbraw/zinc/34/02/78/585340278.db2.gz SKMDPTMKCFMVHG-UTINFBMNSA-N 0 1 226.276 1.204 20 5 BDBDMN CCN(CC1CCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839748544 585340280 /nfs/dbraw/zinc/34/02/80/585340280.db2.gz TZDSTEJLGUCBPQ-NXEZZACHSA-N 0 1 226.276 1.300 20 5 BDBDMN C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839748466 585340340 /nfs/dbraw/zinc/34/03/40/585340340.db2.gz SKMDPTMKCFMVHG-AXTSPUMRSA-N 0 1 226.276 1.204 20 5 BDBDMN C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCC1(F)F ZINC000839777790 585341415 /nfs/dbraw/zinc/34/14/15/585341415.db2.gz SKVAZFAZHBWWGH-XLPZGREQSA-N 0 1 248.229 1.155 20 5 BDBDMN O=C(COC(=O)c1ccc([N+](=O)[O-])[nH]1)C1CC1 ZINC000766395837 585501762 /nfs/dbraw/zinc/50/17/62/585501762.db2.gz DOVKRUNFKQCXHX-UHFFFAOYSA-N 0 1 238.199 1.059 20 5 BDBDMN CN(CC[N+](=O)[O-])C1Cc2ccccc2C1 ZINC000787708043 585914206 /nfs/dbraw/zinc/91/42/06/585914206.db2.gz ILYCFLWHNSUCJH-UHFFFAOYSA-N 0 1 220.272 1.362 20 5 BDBDMN CN1CCN(CC[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000791055165 585973167 /nfs/dbraw/zinc/97/31/67/585973167.db2.gz PZWWNTXELZQDIW-ZDUSSCGKSA-N 0 1 249.314 1.252 20 5 BDBDMN CC(C)(NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCC1 ZINC000840473476 587183349 /nfs/dbraw/zinc/18/33/49/587183349.db2.gz VNTUVFUMHYZWNX-RKDXNWHRSA-N 0 1 226.276 1.347 20 5 BDBDMN C[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CCS1 ZINC000834639331 587762446 /nfs/dbraw/zinc/76/24/46/587762446.db2.gz XVYRJKUTRDVQRJ-RBXMUDONSA-N 0 1 244.316 1.052 20 5 BDBDMN CCCCCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673253 587916103 /nfs/dbraw/zinc/91/61/03/587916103.db2.gz WBUPKEYBMGRWHL-RKDXNWHRSA-N 0 1 215.249 1.775 20 5 BDBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H](C)C(C)C ZINC000841086755 587945378 /nfs/dbraw/zinc/94/53/78/587945378.db2.gz LLAKZTQTVSAHMW-IVZWLZJFSA-N 0 1 228.292 1.545 20 5 BDBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCC1 ZINC000842316890 588016902 /nfs/dbraw/zinc/01/69/02/588016902.db2.gz YORCDHHPMAJXQB-FTLITQJKSA-N 0 1 213.233 1.383 20 5 BDBDMN CC[C@@H](C)[C@@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])OC ZINC000842370352 588022212 /nfs/dbraw/zinc/02/22/12/588022212.db2.gz SEXGMLMYTJTVOO-ZYUZMQFOSA-N 0 1 245.275 1.256 20 5 BDBDMN CC[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC000845850795 588247494 /nfs/dbraw/zinc/24/74/94/588247494.db2.gz KEVOMNMSCZHVQH-HLTSFMKQSA-N 0 1 215.249 1.629 20 5 BDBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1cscn1 ZINC000847816538 588332807 /nfs/dbraw/zinc/33/28/07/588332807.db2.gz AJRUDRDMQJHCFB-ATRFCDNQSA-N 0 1 242.256 1.413 20 5 BDBDMN O=C(OC1(C2CCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000848018276 588348151 /nfs/dbraw/zinc/34/81/51/588348151.db2.gz CDMPIUXIHUYQDE-NXEZZACHSA-N 0 1 239.271 1.918 20 5 BDBDMN O=C(OC/C=C\C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000851291385 588599610 /nfs/dbraw/zinc/59/96/10/588599610.db2.gz QNDRGWXILRSFLX-CNUHJEEOSA-N 0 1 239.149 1.313 20 5 BDBDMN O=C(OC[C@H]1C[C@H]2C[C@H]2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000851417916 588604435 /nfs/dbraw/zinc/60/44/35/588604435.db2.gz MLYIKVGUMWGHIM-HOTMZDKISA-N 0 1 225.244 1.241 20 5 BDBDMN CC(C)(C)[C@@H]1C[C@@H]1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000861107562 589146676 /nfs/dbraw/zinc/14/66/76/589146676.db2.gz BVEZJHPSHYARMI-ZYUZMQFOSA-N 0 1 241.287 1.877 20 5 BDBDMN O=[N+]([O-])CCNC[C@@H]1CC1(Cl)Cl ZINC000905039666 637559044 /nfs/dbraw/zinc/55/90/44/637559044.db2.gz WSXNGGNDWVSZMR-YFKPBYRVSA-N 0 1 213.064 1.047 20 5 BDBDMN CO[C@H](CNCC[N+](=O)[O-])c1ccccc1 ZINC000905041361 637559132 /nfs/dbraw/zinc/55/91/32/637559132.db2.gz SNXKJLQSLAWFFF-LLVKDONJSA-N 0 1 224.260 1.240 20 5 BDBDMN Cc1cccc(OC[C@H](C)NCC[N+](=O)[O-])c1 ZINC000905062781 637599999 /nfs/dbraw/zinc/59/99/99/637599999.db2.gz PGBWCCJVWDBHNC-NSHDSACASA-N 0 1 238.287 1.629 20 5 BDBDMN C[C@H](CNCC[N+](=O)[O-])Oc1cccc(F)c1 ZINC000905133519 637644986 /nfs/dbraw/zinc/64/49/86/637644986.db2.gz FAWSDHLOLJKKIT-SECBINFHSA-N 0 1 242.250 1.459 20 5 BDBDMN O=[N+]([O-])CCNCc1ccc2c(c1)COC2 ZINC000905175437 637685045 /nfs/dbraw/zinc/68/50/45/637685045.db2.gz IUCANBCJCITDMX-UHFFFAOYSA-N 0 1 222.244 1.083 20 5 BDBDMN CCO[C@@H](CNCC[N+](=O)[O-])c1ccccc1 ZINC000905238596 637722064 /nfs/dbraw/zinc/72/20/64/637722064.db2.gz SFDKSJRXUAULLD-LBPRGKRZSA-N 0 1 238.287 1.631 20 5 BDBDMN O=[N+]([O-])CCN[C@@H]1C[C@H]1c1ccccc1F ZINC000905285245 637738284 /nfs/dbraw/zinc/73/82/84/637738284.db2.gz RCARGSIZCCMUIJ-GXSJLCMTSA-N 0 1 224.235 1.548 20 5 BDBDMN O=[N+]([O-])CCN1CCSC[C@@H]1C1CC1 ZINC000930640655 639836790 /nfs/dbraw/zinc/83/67/90/639836790.db2.gz AYBGAHOIPHEKHK-SECBINFHSA-N 0 1 216.306 1.091 20 5 BDBDMN O=[N+]([O-])CCN1CCSC[C@H]1C1CC1 ZINC000930640656 639837269 /nfs/dbraw/zinc/83/72/69/639837269.db2.gz AYBGAHOIPHEKHK-VIFPVBQESA-N 0 1 216.306 1.091 20 5 BDBDMN CO[C@@H]1C[C@@H](N(C)CC[N+](=O)[O-])C12CCC2 ZINC000930652825 639841423 /nfs/dbraw/zinc/84/14/23/639841423.db2.gz PJSNLSCBXYEDJE-NXEZZACHSA-N 0 1 228.292 1.153 20 5 BDBDMN O=[N+]([O-])CCN[C@@H](c1ccncc1)C1CC1 ZINC000934697762 641248317 /nfs/dbraw/zinc/24/83/17/641248317.db2.gz JYTNAYNGLHMPCQ-LLVKDONJSA-N 0 1 221.260 1.399 20 5 BDBDMN CC(C)[C@@H](C)N(C)Cn1cc([N+](=O)[O-])cn1 ZINC000915208445 641810372 /nfs/dbraw/zinc/81/03/72/641810372.db2.gz MGOHXOACQJMURA-SECBINFHSA-N 0 1 226.280 1.725 20 5 BDBDMN CCOCCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000919668640 642369578 /nfs/dbraw/zinc/36/95/78/642369578.db2.gz TVLVZNSUKHVRLR-UHFFFAOYSA-N 0 1 228.204 1.116 20 5 BDBDMN COc1cccc([C@H](C)NCC[N+](=O)[O-])c1 ZINC000930188994 646484402 /nfs/dbraw/zinc/48/44/02/646484402.db2.gz HKUSZGXIMDBHET-VIFPVBQESA-N 0 1 224.260 1.623 20 5 BDBDMN O=[N+]([O-])c1ccccc1CN[C@H]1CC12CC(O)C2 ZINC000724930508 711629967 /nfs/dbraw/zinc/62/99/67/711629967.db2.gz FQCZMADPYIBASQ-YDGIUTOCSA-N 0 1 248.282 1.598 20 5 BDBDMN CN1CC[C@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000712596156 712436378 /nfs/dbraw/zinc/43/63/78/712436378.db2.gz UHMFAJMKQVWDOL-QMMMGPOBSA-N 0 1 222.248 1.106 20 5 BDBDMN O=C(N[C@@H]1CCC[C@H](F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001130332307 970965883 /nfs/dbraw/zinc/96/58/83/970965883.db2.gz JMUZFPLCZXRGIZ-JQCXWYLXSA-N 0 1 230.239 1.049 20 5 BDBDMN O=[N+]([O-])c1ccc(O)cc1O[C@@H]1CCOC1 ZINC001225488472 974524689 /nfs/dbraw/zinc/52/46/89/974524689.db2.gz FRXLUHLWJKTJLV-MRVPVSSYSA-N 0 1 225.200 1.468 20 5 BDBDMN O=C(Cc1cnc[nH]1)Nc1cccc([N+](=O)[O-])c1 ZINC001135504517 971899320 /nfs/dbraw/zinc/89/93/20/971899320.db2.gz OPBIHYPYANDKMM-UHFFFAOYSA-N 0 1 246.226 1.499 20 5 BDBDMN Nc1cncn1-c1cccc([N+](=O)[O-])c1 ZINC001204440368 957438482 /nfs/dbraw/zinc/43/84/82/957438482.db2.gz WEKCTGIQAZGVPT-UHFFFAOYSA-N 0 1 204.189 1.363 20 5 BDBDMN Cc1cnc(CN)n1-c1ccc([N+](=O)[O-])c(C)n1 ZINC001158163361 963816583 /nfs/dbraw/zinc/81/65/83/963816583.db2.gz SSWADBRTKJQXBH-UHFFFAOYSA-N 0 1 247.258 1.251 20 5 BDBDMN Cc1ncn(-c2cccc([N+](=O)[O-])c2)c1N ZINC001204440405 966996846 /nfs/dbraw/zinc/99/68/46/966996846.db2.gz XUUBKQPPRKGPSP-UHFFFAOYSA-N 0 1 218.216 1.671 20 5 BDBDMN Cc1ncn(-c2ccccc2[N+](=O)[O-])c1N ZINC001206150142 968085828 /nfs/dbraw/zinc/08/58/28/968085828.db2.gz FMMALWDDAGUEKH-UHFFFAOYSA-N 0 1 218.216 1.671 20 5 BDBDMN CCOC1CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169013057 969339578 /nfs/dbraw/zinc/33/95/78/969339578.db2.gz TVWXHKOCWPRHPS-NXEZZACHSA-N 0 1 228.292 1.153 20 5 BDBDMN Cc1cnc(CN)n1-c1c(C)cccc1[N+](=O)[O-] ZINC001169028060 969348734 /nfs/dbraw/zinc/34/87/34/969348734.db2.gz HCKWXUWPRLUTOM-UHFFFAOYSA-N 0 1 246.270 1.856 20 5 BDBDMN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCn3cccc3C2)C1 ZINC001169024345 969366717 /nfs/dbraw/zinc/36/67/17/969366717.db2.gz GMXMGZHUYHMCJO-NEPJUHHUSA-N 0 1 249.314 1.749 20 5 BDBDMN CC(C)OC1CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169050009 969367974 /nfs/dbraw/zinc/36/79/74/969367974.db2.gz XWJPEBOQUCMPSM-GHMZBOCLSA-N 0 1 242.319 1.541 20 5 BDBDMN O=[N+]([O-])C[C@@H]1CC[C@H](N2C[C@H]3CC[C@@H]2CO3)C1 ZINC001169053893 969370753 /nfs/dbraw/zinc/37/07/53/969370753.db2.gz JZCNXSPKJXRHOK-WRWGMCAJSA-N 0 1 240.303 1.295 20 5 BDBDMN Cn1cnc(Nc2ccc(O)c([N+](=O)[O-])c2)n1 ZINC001210392892 969882431 /nfs/dbraw/zinc/88/24/31/969882431.db2.gz OXTAVKKQGLHEPB-UHFFFAOYSA-N 0 1 235.203 1.173 20 5 BDBDMN Cc1ncn(-c2cc([N+](=O)[O-])ccc2C)c1N ZINC001211286917 970218121 /nfs/dbraw/zinc/21/81/21/970218121.db2.gz ADQYCKNLZRZZST-UHFFFAOYSA-N 0 1 232.243 1.980 20 5 BDBDMN CN1CC[C@H](Nc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000401208476 970665458 /nfs/dbraw/zinc/66/54/58/970665458.db2.gz MZCORUMPDATOPZ-QMMMGPOBSA-N 0 1 240.238 1.245 20 5 BDBDMN CCc1ccc([N+](=O)[O-])cc1NCc1nnc[nH]1 ZINC001327638695 972679703 /nfs/dbraw/zinc/67/97/03/972679703.db2.gz CPWBMCIBQUHWHC-UHFFFAOYSA-N 0 1 247.258 1.887 20 5 BDBDMN CN1CC[C@@H](Oc2cccnc2[N+](=O)[O-])C1 ZINC001225628589 974604365 /nfs/dbraw/zinc/60/43/65/974604365.db2.gz PQSHEIRZMIYIOY-MRVPVSSYSA-N 0 1 223.232 1.073 20 5 BDBDMN O=[N+]([O-])c1ccncc1O[C@@H]1CN2CCC1CC2 ZINC001228878981 976545035 /nfs/dbraw/zinc/54/50/35/976545035.db2.gz ATKAJDWSFKBHAC-GFCCVEGCSA-N 0 1 249.270 1.463 20 5 BDBDMN O=[N+]([O-])c1ccncc1O[C@H]1CN2CCC1CC2 ZINC001228878982 976545935 /nfs/dbraw/zinc/54/59/35/976545935.db2.gz ATKAJDWSFKBHAC-LBPRGKRZSA-N 0 1 249.270 1.463 20 5 BDBDMN CCN1CC[C@H](Oc2cnccc2[N+](=O)[O-])C1 ZINC001228880023 976549416 /nfs/dbraw/zinc/54/94/16/976549416.db2.gz PEWPLCCKVJXZSL-VIFPVBQESA-N 0 1 237.259 1.463 20 5 BDBDMN Cc1ccc([C@H](O)[C@H](C)NCC[N+](=O)[O-])cc1 ZINC001335412959 977042100 /nfs/dbraw/zinc/04/21/00/977042100.db2.gz SJNQNFYCMCGJBF-CMPLNLGQSA-N 0 1 238.287 1.283 20 5 BDBDMN O=[N+]([O-])c1cc2cn[nH]c2cc1OC[C@@H]1CCO1 ZINC001230596044 977270206 /nfs/dbraw/zinc/27/02/06/977270206.db2.gz OLODGDCEIHKYTN-QMMMGPOBSA-N 0 1 249.226 1.639 20 5 BDBDMN O=[N+]([O-])CCN[C@H](CCO)c1cccs1 ZINC001335762741 977271607 /nfs/dbraw/zinc/27/16/07/977271607.db2.gz FIXMELKMIVCOTH-MRVPVSSYSA-N 0 1 230.289 1.038 20 5 BDBDMN Cc1cc(O)c([N+](=O)[O-])c(OC2CC2)n1 ZINC001231261308 977549478 /nfs/dbraw/zinc/54/94/78/977549478.db2.gz AOEKRHFJLUADCL-UHFFFAOYSA-N 0 1 210.189 1.545 20 5 BDBDMN Cc1ccc(N)cc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001579710664 986197700 /nfs/dbraw/zinc/19/77/00/986197700.db2.gz SXEZQZOLLURESK-PSASIEDQSA-N 0 1 235.243 1.181 20 5 BDBDMN O=[N+]([O-])[C@@H]1C[C@H]1c1nnc(Cc2ccncc2)o1 ZINC001118432093 988344457 /nfs/dbraw/zinc/34/44/57/988344457.db2.gz IQARCCSKHYQDHH-RKDXNWHRSA-N 0 1 246.226 1.188 20 5 BDBDMN Cc1ncc([N+](=O)[O-])cc1Nc1nccn1C ZINC001248746437 989141221 /nfs/dbraw/zinc/14/12/21/989141221.db2.gz LKGNFPPIHOAUOU-UHFFFAOYSA-N 0 1 233.231 1.775 20 5 BDBDMN CO[C@@H](CNCC[N+](=O)[O-])c1ccc(F)cc1 ZINC001120376901 989648172 /nfs/dbraw/zinc/64/81/72/989648172.db2.gz NSERZDOCORWGEB-NSHDSACASA-N 0 1 242.250 1.380 20 5 BDBDMN CC(C)[C@@H](C)N(C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602439114 349525177 /nfs/dbraw/zinc/52/51/77/349525177.db2.gz MPYQXDKSAVRTHX-SECBINFHSA-N 0 1 240.307 1.805 20 5 BDBDMN CC1(C)CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176271464 344394663 /nfs/dbraw/zinc/39/46/63/344394663.db2.gz DIUDNAIVEUXFPI-UHFFFAOYSA-N 0 1 238.291 1.523 20 5 BDBDMN CN(Cc1nnc[nH]1)c1sccc1[N+](=O)[O-] ZINC000611413233 344538987 /nfs/dbraw/zinc/53/89/87/344538987.db2.gz ZNRVRBPWDDBQIE-UHFFFAOYSA-N 0 1 239.260 1.411 20 5 BDBDMN O=[N+]([O-])c1ccc(COCCc2c[nH]nn2)cc1 ZINC000419055945 192098507 /nfs/dbraw/zinc/09/85/07/192098507.db2.gz PMDNGKBMQSJCAV-UHFFFAOYSA-N 0 1 248.242 1.472 20 5 BDBDMN CCc1nc(CNc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000294891702 346316634 /nfs/dbraw/zinc/31/66/34/346316634.db2.gz HDGUNSSKWZLZMS-UHFFFAOYSA-N 0 1 247.258 1.887 20 5 BDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC2(CC2)C1 ZINC000590767341 347526109 /nfs/dbraw/zinc/52/61/09/347526109.db2.gz BYLHKPPMUUWZNC-UHFFFAOYSA-N 0 1 248.238 1.536 20 5 BDBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCO ZINC000595003763 348169688 /nfs/dbraw/zinc/16/96/88/348169688.db2.gz JRTATUGWGHMCMS-QMMMGPOBSA-N 0 1 240.259 1.246 20 5 BDBDMN Cc1noc(CN2C[C@H](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595331992 348228212 /nfs/dbraw/zinc/22/82/12/348228212.db2.gz AWIFFRHZTKVPCD-YUMQZZPRSA-N 0 1 239.275 1.979 20 5 BDBDMN CCO[C@@H]1C[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000581586978 348329289 /nfs/dbraw/zinc/32/92/89/348329289.db2.gz FPBCHJLUDBXLKE-VXGBXAGGSA-N 0 1 236.271 1.862 20 5 BDBDMN O=[N+]([O-])c1ccccc1CN1CC[C@@]2(O)C[C@H]2C1 ZINC000595770456 348335720 /nfs/dbraw/zinc/33/57/20/348335720.db2.gz VVESHNSJSBBDED-WCQYABFASA-N 0 1 248.282 1.552 20 5 BDBDMN Cc1ccnc(N(C)Cc2cnc[nH]2)c1[N+](=O)[O-] ZINC000596306711 348492189 /nfs/dbraw/zinc/49/21/89/348492189.db2.gz QYFVBUGPAYTBAR-UHFFFAOYSA-N 0 1 247.258 1.658 20 5 BDBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](O)C1 ZINC000072634578 351328290 /nfs/dbraw/zinc/32/82/90/351328290.db2.gz OHIDJZQBIRLFKQ-NXEZZACHSA-N 0 1 236.271 1.722 20 5 BDBDMN CCO[C@@H]1C[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000583182638 357510997 /nfs/dbraw/zinc/51/09/97/357510997.db2.gz HVLJWHHDSMSZKA-NWDGAFQWSA-N 0 1 236.271 1.862 20 5 BDBDMN O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@H](O)C1 ZINC000349802607 370505642 /nfs/dbraw/zinc/50/56/42/370505642.db2.gz VOYXZLJJQZSHPZ-FHMRSRPSSA-N 0 1 248.282 1.675 20 5 BDBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@H](O)C1 ZINC000349802607 370505645 /nfs/dbraw/zinc/50/56/45/370505645.db2.gz VOYXZLJJQZSHPZ-FHMRSRPSSA-N 0 1 248.282 1.675 20 5 BDBDMN CCN(Cc1c([N+](=O)[O-])ncn1C)CC1CC1 ZINC000331998599 371322752 /nfs/dbraw/zinc/32/27/52/371322752.db2.gz ZPVZTVWEDVEUSD-UHFFFAOYSA-N 0 1 238.291 1.560 20 5 BDBDMN O=[N+]([O-])c1ccccc1CN1CCC[C@H](O)C1 ZINC000020941368 371354461 /nfs/dbraw/zinc/35/44/61/371354461.db2.gz NXAWHKBWNHZAIB-NSHDSACASA-N 0 1 236.271 1.552 20 5 BDBDMN CCCN(Cc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC000602439071 371803055 /nfs/dbraw/zinc/80/30/55/371803055.db2.gz LONZGWWREIJHGW-UHFFFAOYSA-N 0 1 238.291 1.703 20 5 BDBDMN O=[N+]([O-])c1ccccc1CN1C[C@@H]2C[C@]2(O)C1 ZINC000603086718 371865725 /nfs/dbraw/zinc/86/57/25/371865725.db2.gz IJCMZKSAPYYMDX-JQWIXIFHSA-N 0 1 234.255 1.161 20 5 BDBDMN CO[C@@H](C)CNCc1ccc([N+](=O)[O-])cc1F ZINC000310336671 384851228 /nfs/dbraw/zinc/85/12/28/384851228.db2.gz LKRYWRHFCOYAKG-QMMMGPOBSA-N 0 1 242.250 1.858 20 5 BDBDMN CN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000106883050 384935703 /nfs/dbraw/zinc/93/57/03/384935703.db2.gz DGMWKVYIAOSUPM-LBPRGKRZSA-N 0 1 236.271 1.816 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](C2CC2)C1 ZINC000365614039 384978026 /nfs/dbraw/zinc/97/80/26/384978026.db2.gz DRWOARKSPCUFMG-HBNTYKKESA-N 0 1 238.287 1.300 20 5 BDBDMN COCC1(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000381491192 385084799 /nfs/dbraw/zinc/08/47/99/385084799.db2.gz XTUTVQDWYWQHSC-UHFFFAOYSA-N 0 1 242.300 1.925 20 5 BDBDMN O=C(NCCCF)c1cc(O)cc([N+](=O)[O-])c1 ZINC000541882335 385840148 /nfs/dbraw/zinc/84/01/48/385840148.db2.gz XQIPTDPPAJTGHM-UHFFFAOYSA-N 0 1 242.206 1.390 20 5 BDBDMN C[C@H](O)CN(C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000291281002 385852467 /nfs/dbraw/zinc/85/24/67/385852467.db2.gz QJVVSQQEGOJOJA-UWVGGRQHSA-N 0 1 238.287 1.968 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CCCC2)C1 ZINC000365638441 386242911 /nfs/dbraw/zinc/24/29/11/386242911.db2.gz SCMQJDKHCAIWFZ-NXEZZACHSA-N 0 1 238.287 1.444 20 5 BDBDMN CN(CCF)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000294111062 386388322 /nfs/dbraw/zinc/38/83/22/386388322.db2.gz JMXBTJVEUJYYJK-UHFFFAOYSA-N 0 1 242.206 1.342 20 5 BDBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC2(CCC2)C1 ZINC000366131702 386581478 /nfs/dbraw/zinc/58/14/78/386581478.db2.gz MFMMEVMVAQVLBJ-DTWKUNHWSA-N 0 1 224.260 1.054 20 5 BDBDMN Cc1n[nH]cc1CNCc1cccc([N+](=O)[O-])c1 ZINC000037989235 387463423 /nfs/dbraw/zinc/46/34/23/387463423.db2.gz GMDRZALHBXZEKA-UHFFFAOYSA-N 0 1 246.270 1.916 20 5 BDBDMN C[C@@H]1C[C@@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272585996 388474011 /nfs/dbraw/zinc/47/40/11/388474011.db2.gz UWKRHOLDWVVHIN-LDWIPMOCSA-N 0 1 236.227 1.439 20 5 BDBDMN O=[N+]([O-])c1cccc(CCNCc2cocn2)c1 ZINC000277071396 388744838 /nfs/dbraw/zinc/74/48/38/388744838.db2.gz SNVNJIWSAGJEMD-UHFFFAOYSA-N 0 1 247.254 1.915 20 5 BDBDMN O=[N+]([O-])c1ccc2[n-]c(O[C@H]3CC[NH2+]C3)nc2c1 ZINC000094772347 388754919 /nfs/dbraw/zinc/75/49/19/388754919.db2.gz FHKRZJIJGCWVHD-QMMMGPOBSA-N 0 1 248.242 1.212 20 5 BDBDMN O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1Cc2ccccc2CO1 ZINC000377171321 388724555 /nfs/dbraw/zinc/72/45/55/388724555.db2.gz FYABBDDHFMQOIU-MNOVXSKESA-N 0 1 248.238 1.126 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1C1CC1 ZINC000377541507 388725196 /nfs/dbraw/zinc/72/51/96/388725196.db2.gz DEDBGSDDXXWUAI-OPRDCNLKSA-N 0 1 224.260 1.053 20 5 BDBDMN CCC(C)(C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000136277496 168298051 /nfs/dbraw/zinc/29/80/51/168298051.db2.gz UFVUOLAJDQGWGS-UHFFFAOYSA-N 0 1 226.236 1.236 20 5 BDBDMN CN1CCCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000195505312 173018794 /nfs/dbraw/zinc/01/87/94/173018794.db2.gz HCLSFOAXYRHRJS-UHFFFAOYSA-N 0 1 242.304 1.193 20 5 BDBDMN CN1CCCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000024106651 173019275 /nfs/dbraw/zinc/01/92/75/173019275.db2.gz QHTMRJZDSOFAEE-UHFFFAOYSA-N 0 1 236.275 1.132 20 5 BDBDMN CNCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000035697381 173395815 /nfs/dbraw/zinc/39/58/15/173395815.db2.gz RHUDWUPXFGBRGH-UHFFFAOYSA-N 0 1 234.215 1.364 20 5 BDBDMN C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000351956983 176308187 /nfs/dbraw/zinc/30/81/87/176308187.db2.gz DTQOASSSMZZCST-BXKDBHETSA-N 0 1 236.271 1.407 20 5 BDBDMN C[C@H](c1ccccc1[N+](=O)[O-])N(C)CCO ZINC000090740884 177042389 /nfs/dbraw/zinc/04/23/89/177042389.db2.gz OYUKJTXFUWAPBL-SECBINFHSA-N 0 1 224.260 1.580 20 5 BDBDMN Cc1coc(COC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000893744955 583217307 /nfs/dbraw/zinc/21/73/07/583217307.db2.gz KVQHKCDQAHHASV-RKDXNWHRSA-N 0 1 225.200 1.296 20 5 BDBDMN O=[N+]([O-])CCN1CC[C@H](c2ccccc2)C1 ZINC000791051630 583383757 /nfs/dbraw/zinc/38/37/57/583383757.db2.gz HESQFRWVWBVZSM-LBPRGKRZSA-N 0 1 220.272 1.753 20 5 BDBDMN C[Si](C)(C)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840670943 583406969 /nfs/dbraw/zinc/40/69/69/583406969.db2.gz NMXYDPOEYGXKMV-RNFRBKRXSA-N 0 1 217.297 1.072 20 5 BDBDMN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000899400825 584210703 /nfs/dbraw/zinc/21/07/03/584210703.db2.gz LVWYXTYFSNYFCF-VFZPANTDSA-N 0 1 238.287 1.060 20 5 BDBDMN O=[N+]([O-])CCN[C@@H]1CCCc2ccccc21 ZINC000899855332 584243233 /nfs/dbraw/zinc/24/32/33/584243233.db2.gz GBITWFOYGWKKDU-GFCCVEGCSA-N 0 1 220.272 1.930 20 5 BDBDMN C[C@@H]1C[C@H](C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839462464 585103421 /nfs/dbraw/zinc/10/34/21/585103421.db2.gz NFNJGVAYKUVPEG-UTINFBMNSA-N 0 1 226.276 1.156 20 5 BDBDMN CC(C)CC[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839485939 585105038 /nfs/dbraw/zinc/10/50/38/585105038.db2.gz MUMBKKYRKGIRFZ-IVZWLZJFSA-N 0 1 228.292 1.593 20 5 BDBDMN CCC[C@H](C)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839526166 585105862 /nfs/dbraw/zinc/10/58/62/585105862.db2.gz ARUYGVPHHYREGC-DJLDLDEBSA-N 0 1 214.265 1.299 20 5 BDBDMN CC[C@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839640292 585335017 /nfs/dbraw/zinc/33/50/17/585335017.db2.gz JFXGSOIXEDQPEC-DJLDLDEBSA-N 0 1 212.249 1.053 20 5 BDBDMN CC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccncc1 ZINC000839690224 585335151 /nfs/dbraw/zinc/33/51/51/585335151.db2.gz UULMRNIHBCUNFW-GMTAPVOTSA-N 0 1 249.270 1.314 20 5 BDBDMN CSCC[C@@H](C)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839701785 585336004 /nfs/dbraw/zinc/33/60/04/585336004.db2.gz VKMFSPKTIHZXST-IWSPIJDZSA-N 0 1 246.332 1.252 20 5 BDBDMN CC[C@@H](C)CN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839677026 585336541 /nfs/dbraw/zinc/33/65/41/585336541.db2.gz PNXGVWIVOHUNJL-IWSPIJDZSA-N 0 1 214.265 1.156 20 5 BDBDMN Cc1cc(F)cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000839707583 585337655 /nfs/dbraw/zinc/33/76/55/585337655.db2.gz HJUQKUSLKSBBOY-NXEZZACHSA-N 0 1 238.218 1.738 20 5 BDBDMN CC(C)C[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839711613 585337995 /nfs/dbraw/zinc/33/79/95/585337995.db2.gz YAWUZGZKMXFSGQ-DJLDLDEBSA-N 0 1 214.265 1.202 20 5 BDBDMN C[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H]1C ZINC000839718857 585338453 /nfs/dbraw/zinc/33/84/53/585338453.db2.gz SQISJTMNXJHBAF-SGIHWFKDSA-N 0 1 226.276 1.156 20 5 BDBDMN CCN(CCC1CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839726195 585338808 /nfs/dbraw/zinc/33/88/08/585338808.db2.gz ODZYNSNBWICTBU-NXEZZACHSA-N 0 1 226.276 1.300 20 5 BDBDMN C[C@@H]1CCC[C@@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839754859 585340398 /nfs/dbraw/zinc/34/03/98/585340398.db2.gz XFWZKGVKTGWCPH-ZYUZMQFOSA-N 0 1 226.276 1.204 20 5 BDBDMN O=C(NCC1CCCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839783663 585341832 /nfs/dbraw/zinc/34/18/32/585341832.db2.gz TXQKLVQGBXYWTC-GHMZBOCLSA-N 0 1 240.303 1.738 20 5 BDBDMN CC[C@@H]1CC[C@H](C)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839789882 585342383 /nfs/dbraw/zinc/34/23/83/585342383.db2.gz IUZVAPGSMSRTGZ-LNFKQOIKSA-N 0 1 240.303 1.689 20 5 BDBDMN O=[N+]([O-])c1ccc(CN2C[C@H]3C[C@@]3(CO)C2)cc1 ZINC000782605789 585821727 /nfs/dbraw/zinc/82/17/27/585821727.db2.gz QVIDQXURRKKOAB-YPMHNXCESA-N 0 1 248.282 1.409 20 5 BDBDMN CC(C)[C@H]1CN(CC[N+](=O)[O-])CCS1 ZINC000791052047 585972868 /nfs/dbraw/zinc/97/28/68/585972868.db2.gz KJHVDCAEGWDPQM-SECBINFHSA-N 0 1 218.322 1.337 20 5 BDBDMN O=C(Nc1c[nH]nn1)c1csc([N+](=O)[O-])c1 ZINC000798127796 586137803 /nfs/dbraw/zinc/13/78/03/586137803.db2.gz FBPSBUZLAPWMSI-UHFFFAOYSA-N 0 1 239.216 1.027 20 5 BDBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCCC1 ZINC000840255576 586577886 /nfs/dbraw/zinc/57/78/86/586577886.db2.gz JTKLZTCXAZPWBF-GHMZBOCLSA-N 0 1 240.303 1.833 20 5 BDBDMN CC(C)[C@H](C)N(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000840286601 586599396 /nfs/dbraw/zinc/59/93/96/586599396.db2.gz ZFPQHHQGKRGYRI-JMJZKYOTSA-N 0 1 240.303 1.687 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N(C1CC1)C1CCCC1 ZINC000840321476 586621970 /nfs/dbraw/zinc/62/19/70/586621970.db2.gz QABIXDOOHUNCHF-GHMZBOCLSA-N 0 1 238.287 1.585 20 5 BDBDMN C[C@@H]1CCC[C@@H](C)N1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840322320 586622261 /nfs/dbraw/zinc/62/22/61/586622261.db2.gz WEBJLQDWIHKFQH-ZYUZMQFOSA-N 0 1 226.276 1.441 20 5 BDBDMN O=C(OCCC1CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000840674303 587916387 /nfs/dbraw/zinc/91/63/87/587916387.db2.gz KLTIILNFCDRFOZ-NXEZZACHSA-N 0 1 243.259 1.012 20 5 BDBDMN O=C(OC[C@H]1CC=CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000841001628 587934209 /nfs/dbraw/zinc/93/42/09/587934209.db2.gz RPFMJAHXKULOBY-IVZWLZJFSA-N 0 1 225.244 1.551 20 5 BDBDMN CC[C@@H]1C[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000842329865 588018339 /nfs/dbraw/zinc/01/83/39/588018339.db2.gz JKJKDOOLIMWYJT-ZYUZMQFOSA-N 0 1 243.259 1.152 20 5 BDBDMN O=C(Oc1cccc2c1CCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000842936526 588072252 /nfs/dbraw/zinc/07/22/52/588072252.db2.gz IHZJVNNSIICPAD-GHMZBOCLSA-N 0 1 247.250 1.746 20 5 BDBDMN CCc1cccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000844945399 588219842 /nfs/dbraw/zinc/21/98/42/588219842.db2.gz JSUOMGWCFPEEFX-VXGBXAGGSA-N 0 1 248.282 1.530 20 5 BDBDMN CC(C)(NC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)(F)F ZINC000847115735 588306700 /nfs/dbraw/zinc/30/67/00/588306700.db2.gz WRNUFGNDXDEKKB-PHDIDXHHSA-N 0 1 236.218 1.202 20 5 BDBDMN CC(C)=CCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000849806641 588501659 /nfs/dbraw/zinc/50/16/59/588501659.db2.gz IYWFQMPTRLGDEJ-RKDXNWHRSA-N 0 1 213.233 1.551 20 5 BDBDMN CC(F)(F)COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000861227379 589153257 /nfs/dbraw/zinc/15/32/57/589153257.db2.gz UBPHIYNFPKZRCN-UHFFFAOYSA-N 0 1 234.158 1.735 20 5 BDBDMN Cn1cc(CN2CC[C@@H](CF)C2)c([N+](=O)[O-])n1 ZINC000880301678 590998919 /nfs/dbraw/zinc/99/89/19/590998919.db2.gz WRCXCCRWEUWYMZ-QMMMGPOBSA-N 0 1 242.254 1.120 20 5 BDBDMN CC(C)[C@@H]1N(CC[N+](=O)[O-])CC12CCC2 ZINC000899885920 637147560 /nfs/dbraw/zinc/14/75/60/637147560.db2.gz QHKPVZXKGKXACN-JTQLQIEISA-N 0 1 212.293 1.774 20 5 BDBDMN Cc1cccc(OC[C@@H](C)NCC[N+](=O)[O-])c1 ZINC000905062779 637598085 /nfs/dbraw/zinc/59/80/85/637598085.db2.gz PGBWCCJVWDBHNC-LLVKDONJSA-N 0 1 238.287 1.629 20 5 BDBDMN C[C@@H](CNCC[N+](=O)[O-])Oc1ccc(F)cc1 ZINC000905140809 637649903 /nfs/dbraw/zinc/64/99/03/637649903.db2.gz XPOKCMLHUIDBNF-VIFPVBQESA-N 0 1 242.250 1.459 20 5 BDBDMN COc1cccc(CNCC[N+](=O)[O-])c1C ZINC000905381072 637781948 /nfs/dbraw/zinc/78/19/48/637781948.db2.gz JVPAYQIFSGDUJM-UHFFFAOYSA-N 0 1 224.260 1.370 20 5 BDBDMN O=[N+]([O-])CC[N@H+]1CCSC2(CCC2)CC1 ZINC000930710395 639872407 /nfs/dbraw/zinc/87/24/07/639872407.db2.gz CJLWRCBQVPWEQN-UHFFFAOYSA-N 0 1 230.333 1.625 20 5 BDBDMN O=[N+]([O-])CCN1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000930706736 639872512 /nfs/dbraw/zinc/87/25/12/639872512.db2.gz YFNRXCLOOXZWIH-NWDGAFQWSA-N 0 1 242.319 1.136 20 5 BDBDMN C[C@H](CN(C)CC[N+](=O)[O-])c1ccccc1 ZINC000929490603 641333622 /nfs/dbraw/zinc/33/36/22/641333622.db2.gz NZEYRDWENGQGPR-LLVKDONJSA-N 0 1 222.288 1.999 20 5 BDBDMN O=C(OCC(F)(F)F)c1ccc([N+](=O)[O-])[nH]1 ZINC000917938694 642146875 /nfs/dbraw/zinc/14/68/75/642146875.db2.gz KZBJINSLQLCBDI-UHFFFAOYSA-N 0 1 238.121 1.642 20 5 BDBDMN O=[N+]([O-])CCN1CCC[C@H](Nc2ccccc2)C1 ZINC000930039777 642271221 /nfs/dbraw/zinc/27/12/21/642271221.db2.gz PIGRGMLBRXCJIY-ZDUSSCGKSA-N 0 1 249.314 1.840 20 5 BDBDMN O=C(OC[C@@H]1CCOC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000919668088 642368283 /nfs/dbraw/zinc/36/82/83/642368283.db2.gz CXQJCUCLDQUBFU-SSDOTTSWSA-N 0 1 240.215 1.116 20 5 BDBDMN CC(C)[C@H]1CCCN1Cn1nccc1[N+](=O)[O-] ZINC000920484122 642509683 /nfs/dbraw/zinc/50/96/83/642509683.db2.gz CDUKWFBLAHYZSZ-SNVBAGLBSA-N 0 1 238.291 1.869 20 5 BDBDMN CCN(CC(C)C)Cn1cc([N+](=O)[O-])cn1 ZINC000193397980 644239193 /nfs/dbraw/zinc/23/91/93/644239193.db2.gz YEPNJKOTLGTIJL-UHFFFAOYSA-N 0 1 226.280 1.727 20 5 BDBDMN CON(CC(C)(C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839760793 644631153 /nfs/dbraw/zinc/63/11/53/644631153.db2.gz BBSHJPWPKNJJOL-HTQZYQBOSA-N 0 1 230.264 1.088 20 5 BDBDMN C[C@H](NCC[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000930190347 646484875 /nfs/dbraw/zinc/48/48/75/646484875.db2.gz ULMFSUXQNFWHQT-QMMMGPOBSA-N 0 1 238.243 1.343 20 5 BDBDMN CC1(C)CO[C@@H](COC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000869538699 712623123 /nfs/dbraw/zinc/62/31/23/712623123.db2.gz PQMRXSGIFSCYRI-IWSPIJDZSA-N 0 1 243.259 1.010 20 5 BDBDMN CNCc1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000843178280 711504696 /nfs/dbraw/zinc/50/46/96/711504696.db2.gz ACYRJEFBOUJETJ-UHFFFAOYSA-N 0 1 248.242 1.673 20 5 BDBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C(C)(C)C ZINC000869538677 712623133 /nfs/dbraw/zinc/62/31/33/712623133.db2.gz OIUSQTYNDXQLQW-XLPZGREQSA-N 0 1 243.259 1.199 20 5 BDBDMN Cn1cc([C@@H](NCC[N+](=O)[O-])C(C)(C)C)cn1 ZINC001332725684 975273118 /nfs/dbraw/zinc/27/31/18/975273118.db2.gz BDUSMODVZRBFSG-SNVBAGLBSA-N 0 1 240.307 1.374 20 5 BDBDMN O=[N+]([O-])c1cc2cn[nH]c2cc1O[C@H]1C[C@H](O)C1 ZINC001218363890 971744256 /nfs/dbraw/zinc/74/42/56/971744256.db2.gz JSUGEIQIQBDFQB-ZKCHVHJHSA-N 0 1 249.226 1.373 20 5 BDBDMN COc1ncc(Nc2ccncc2)cc1[N+](=O)[O-] ZINC001210134842 957648238 /nfs/dbraw/zinc/64/82/38/957648238.db2.gz KVNSARKWTFFGNQ-UHFFFAOYSA-N 0 1 246.226 1.559 20 5 BDBDMN O=[N+]([O-])c1cc2cn[nH]c2cc1O[C@H]1C[C@@H](O)C1 ZINC001218422162 960082086 /nfs/dbraw/zinc/08/20/86/960082086.db2.gz JSUGEIQIQBDFQB-OCAPTIKFSA-N 0 1 249.226 1.373 20 5 BDBDMN O=C(Nc1cnsn1)c1ccc([N+](=O)[O-])o1 ZINC001128793337 967820893 /nfs/dbraw/zinc/82/08/93/967820893.db2.gz NDLPJYLCAWNGES-UHFFFAOYSA-N 0 1 240.200 1.292 20 5 BDBDMN Cc1nnc(-c2cc(O)cc([N+](=O)[O-])c2)o1 ZINC001253471149 969189561 /nfs/dbraw/zinc/18/95/61/969189561.db2.gz UQYRTTPVHZAKCK-UHFFFAOYSA-N 0 1 221.172 1.659 20 5 BDBDMN O=[N+]([O-])C[C@H]1CC[C@@H](NCc2ncccn2)C1 ZINC001168963131 969315136 /nfs/dbraw/zinc/31/51/36/969315136.db2.gz NSNFFSKZHOVIAV-VHSXEESVSA-N 0 1 236.275 1.012 20 5 BDBDMN C[C@@H]1CC(=O)CCN1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169014406 969342747 /nfs/dbraw/zinc/34/27/47/969342747.db2.gz ZKNAVUONWRUHHP-GMTAPVOTSA-N 0 1 240.303 1.485 20 5 BDBDMN CCCOC1CN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169021905 969360565 /nfs/dbraw/zinc/36/05/65/969360565.db2.gz BAGKUBYBKXRXDQ-MNOVXSKESA-N 0 1 242.319 1.543 20 5 BDBDMN CN1CC[C@H](Oc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001225574499 974560471 /nfs/dbraw/zinc/56/04/71/974560471.db2.gz DDPQZTNGKHZRFE-VIFPVBQESA-N 0 1 240.234 1.817 20 5 BDBDMN C[C@H](C[NH+](C)C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225666151 974634392 /nfs/dbraw/zinc/63/43/92/974634392.db2.gz GWHBDEKJAXSGFO-SSDOTTSWSA-N 0 1 241.247 1.024 20 5 BDBDMN CCC[C@@H](C)Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229380905 976852063 /nfs/dbraw/zinc/85/20/63/976852063.db2.gz NEKLOYCKRDHNNT-ZCFIWIBFSA-N 0 1 241.247 1.966 20 5 BDBDMN COc1ccc(-n2cnc(C)c2N)cc1[N+](=O)[O-] ZINC001176363897 978049697 /nfs/dbraw/zinc/04/96/97/978049697.db2.gz SWHDSOSDYNVZJY-UHFFFAOYSA-N 0 1 248.242 1.680 20 5 BDBDMN Cc1[nH]nc(CNc2ccncc2[N+](=O)[O-])c1C ZINC000716475802 980153413 /nfs/dbraw/zinc/15/34/13/980153413.db2.gz XMYOXTVXCOWPHK-UHFFFAOYSA-N 0 1 247.258 1.364 20 5 BDBDMN CC(C)N1CCC[C@H]1C(=O)O[C@H](C)C[N+](=O)[O-] ZINC001345019431 980523337 /nfs/dbraw/zinc/52/33/37/980523337.db2.gz RIOROXOXWUECJC-ZJUUUORDSA-N 0 1 244.291 1.068 20 5 BDBDMN O=[N+]([O-])[C@@H]1C[C@H]1c1nnc(CC2CCCC2)o1 ZINC001349986641 981836854 /nfs/dbraw/zinc/83/68/54/981836854.db2.gz PEVPIQKGHFXRSD-RKDXNWHRSA-N 0 1 237.259 1.935 20 5 BDBDMN O=[N+]([O-])CCN1CCC([C@@H]2CCOC2)CC1 ZINC001351275720 982259007 /nfs/dbraw/zinc/25/90/07/982259007.db2.gz YYXUQPWHZDMAPU-LLVKDONJSA-N 0 1 228.292 1.012 20 5 BDBDMN Cc1nnc(Nc2cc(O)cc([N+](=O)[O-])c2)o1 ZINC001199802255 983020763 /nfs/dbraw/zinc/02/07/63/983020763.db2.gz MWZDMYMPYQSVNT-UHFFFAOYSA-N 0 1 236.187 1.735 20 5 BDBDMN O=[N+]([O-])c1ccc2c(c1)CN(Cc1c[nH]nn1)C2 ZINC001117754704 987891988 /nfs/dbraw/zinc/89/19/88/987891988.db2.gz MIFUESFMHBWHJM-UHFFFAOYSA-N 0 1 245.242 1.229 20 5 BDBDMN O=[N+]([O-])[C@@H]1C[C@H]1c1nnc(-c2ccncc2)o1 ZINC001326944043 989785407 /nfs/dbraw/zinc/78/54/07/989785407.db2.gz PRVWAGHFJNKLSB-HTQZYQBOSA-N 0 1 232.199 1.264 20 5 BDBDMN CN(Cc1cnc[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC001307163345 995300277 /nfs/dbraw/zinc/30/02/77/995300277.db2.gz CKRIAWOBECPLJR-UHFFFAOYSA-N 0 1 232.243 1.954 20 5 BDBDMN Cc1cc(CNc2ccncc2[N+](=O)[O-])n[nH]1 ZINC000609595776 342887724 /nfs/dbraw/zinc/88/77/24/342887724.db2.gz JDSNRWDSXGEYDH-UHFFFAOYSA-N 0 1 233.231 1.055 20 5 BDBDMN CN[C@H](C)c1cn(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000310872559 343589322 /nfs/dbraw/zinc/58/93/22/343589322.db2.gz SWRSPOBQYGNFSU-MRVPVSSYSA-N 0 1 247.258 1.456 20 5 BDBDMN Cc1cc(CNc2ncc([N+](=O)[O-])cc2C)n[nH]1 ZINC000611297434 344461902 /nfs/dbraw/zinc/46/19/02/344461902.db2.gz PGDUUMQHLJPIKO-UHFFFAOYSA-N 0 1 247.258 1.364 20 5 BDBDMN C[C@H](Nc1ccncc1[N+](=O)[O-])c1nnc[nH]1 ZINC000230431704 344681584 /nfs/dbraw/zinc/68/15/84/344681584.db2.gz ZDRUZGIFJFWLSA-LURJTMIESA-N 0 1 234.219 1.281 20 5 BDBDMN O=[N+]([O-])c1cc(CN[C@H]2C[C@@H](CO)C2)cs1 ZINC000601139541 346341290 /nfs/dbraw/zinc/34/12/90/346341290.db2.gz FDJMFGJJOKXVKJ-OTSSQURYSA-N 0 1 242.300 1.517 20 5 BDBDMN O=[N+]([O-])c1ccc(CCNCc2ccon2)cc1 ZINC000148883999 346475010 /nfs/dbraw/zinc/47/50/10/346475010.db2.gz GVZNUBJHRPIXCK-UHFFFAOYSA-N 0 1 247.254 1.915 20 5 BDBDMN CC1(C)C[C@@]1(C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000598388473 348955484 /nfs/dbraw/zinc/95/54/84/348955484.db2.gz YEXWUIFDNWOHLR-SNVBAGLBSA-N 0 1 238.247 1.236 20 5 BDBDMN C[C@H](Nc1ccccc1[N+](=O)[O-])c1nnc[nH]1 ZINC000219647757 134288980 /nfs/dbraw/zinc/28/89/80/134288980.db2.gz MHCNZDRBAJEKBS-ZETCQYMHSA-N 0 1 233.231 1.886 20 5 BDBDMN C[C@H]1CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000603266679 371878670 /nfs/dbraw/zinc/87/86/70/371878670.db2.gz LHVVQWPEHMKFLS-ZETCQYMHSA-N 0 1 236.227 1.535 20 5 BDBDMN Cc1[nH]ncc1CNc1nccc(C)c1[N+](=O)[O-] ZINC000070495953 384113004 /nfs/dbraw/zinc/11/30/04/384113004.db2.gz AVMXCGNXIDOIRL-UHFFFAOYSA-N 0 1 247.258 1.942 20 5 BDBDMN CC1(C)CC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000286925597 384447857 /nfs/dbraw/zinc/44/78/57/384447857.db2.gz DKOZRTMAWAGQHX-ZETCQYMHSA-N 0 1 238.247 1.236 20 5 BDBDMN CC(C)C1(NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000294057540 386344416 /nfs/dbraw/zinc/34/44/16/386344416.db2.gz YRRQEATUOICZLL-UHFFFAOYSA-N 0 1 238.247 1.236 20 5 BDBDMN Cc1ccnc(N[C@@H](C)c2nnc[nH]2)c1[N+](=O)[O-] ZINC000226500253 388351387 /nfs/dbraw/zinc/35/13/87/388351387.db2.gz UPZMHHZHGKVVSY-ZETCQYMHSA-N 0 1 248.246 1.589 20 5 BDBDMN O=[N+]([O-])c1cnc(N2CCc3cnccc32)nc1 ZINC000354575081 388380889 /nfs/dbraw/zinc/38/08/89/388380889.db2.gz UHQWCPYRUIARQJ-UHFFFAOYSA-N 0 1 243.226 1.474 20 5 BDBDMN CC[N@@H+](C)CCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000161538308 388659246 /nfs/dbraw/zinc/65/92/46/388659246.db2.gz SWFFWHDANPBKNR-UHFFFAOYSA-N 0 1 238.291 1.662 20 5 BDBDMN CC(C)[C@H](C)N(C)Cc1c([N+](=O)[O-])ncn1C ZINC000331039909 388764274 /nfs/dbraw/zinc/76/42/74/388764274.db2.gz BUXQVACDHAEYOW-VIFPVBQESA-N 0 1 240.307 1.805 20 5 BDBDMN Cc1cc(CNc2ncc([N+](=O)[O-])cn2)n[nH]1 ZINC000612785058 412320199 /nfs/dbraw/zinc/32/01/99/412320199.db2.gz UPKCQIBYHDQDJG-UHFFFAOYSA-N 0 1 234.219 1.028 20 5 BDBDMN CN1CCC[C@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000193859118 173055173 /nfs/dbraw/zinc/05/51/73/173055173.db2.gz MHQHENXRPUEWCF-ZETCQYMHSA-N 0 1 242.304 1.557 20 5 BDBDMN COCCN(C)Cc1ccc([N+](=O)[O-])cc1C ZINC000273391094 174280503 /nfs/dbraw/zinc/28/05/03/174280503.db2.gz DMVVXFTUXRGQCV-UHFFFAOYSA-N 0 1 238.287 1.981 20 5 BDBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](O)C1 ZINC000074313395 176018977 /nfs/dbraw/zinc/01/89/77/176018977.db2.gz AQTUTISUHBJBGU-CABZTGNLSA-N 0 1 236.271 1.722 20 5 BDBDMN C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000351810990 176306692 /nfs/dbraw/zinc/30/66/92/176306692.db2.gz OLMPZJFMKMMXRX-SKDRFNHKSA-N 0 1 236.271 1.407 20 5 BDBDMN C[C@H]1C[C@@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272585999 177347773 /nfs/dbraw/zinc/34/77/73/177347773.db2.gz UWKRHOLDWVVHIN-WKEGUHRASA-N 0 1 236.227 1.439 20 5 BDBDMN CN(CC(C)(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839629817 585332526 /nfs/dbraw/zinc/33/25/26/585332526.db2.gz OOCRQUAEQQWBEE-HTQZYQBOSA-N 0 1 214.265 1.156 20 5 BDBDMN O=C(N[C@@H]1C=CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000154069233 326128226 /nfs/dbraw/zinc/12/82/26/326128226.db2.gz JMNUYSMMINLBCF-SSDOTTSWSA-N 0 1 236.231 1.156 20 5 BDBDMN CCC(C)(C)[C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000855365873 588829510 /nfs/dbraw/zinc/82/95/10/588829510.db2.gz RXTNJXZDCFDQDG-IWSPIJDZSA-N 0 1 228.292 1.593 20 5 BDBDMN CC(C)(C)CC(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673545 583424279 /nfs/dbraw/zinc/42/42/79/583424279.db2.gz RXVUMDMOQZQHNC-RKDXNWHRSA-N 0 1 243.259 1.200 20 5 BDBDMN O=[N+]([O-])CCNCCOc1ccc(Cl)cc1 ZINC000899861267 584242791 /nfs/dbraw/zinc/24/27/91/584242791.db2.gz QFUKPGJPZSDCEG-UHFFFAOYSA-N 0 1 244.678 1.585 20 5 BDBDMN Cc1cc(C)cc(CNCC[N+](=O)[O-])c1 ZINC000899891237 584245938 /nfs/dbraw/zinc/24/59/38/584245938.db2.gz IANZGIHQFRBNGJ-UHFFFAOYSA-N 0 1 208.261 1.670 20 5 BDBDMN C[C@H]1CCCC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839463429 585105532 /nfs/dbraw/zinc/10/55/32/585105532.db2.gz QLBFRQNKJODDHI-SGIHWFKDSA-N 0 1 226.276 1.347 20 5 BDBDMN C[C@@H](N(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)(C)C ZINC000839507094 585105810 /nfs/dbraw/zinc/10/58/10/585105810.db2.gz VBXJNQALELDQCA-IWSPIJDZSA-N 0 1 228.292 1.545 20 5 BDBDMN O=C(N[C@H]1C[C@H]1c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839576872 585330735 /nfs/dbraw/zinc/33/07/35/585330735.db2.gz QHHBGUBKBVGUOZ-WHOHXGKFSA-N 0 1 246.266 1.324 20 5 BDBDMN CC(C)C[C@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839616676 585332461 /nfs/dbraw/zinc/33/24/61/585332461.db2.gz WDEHIFFOYMMGDH-GMTAPVOTSA-N 0 1 240.303 1.689 20 5 BDBDMN CC1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839630804 585332916 /nfs/dbraw/zinc/33/29/16/585332916.db2.gz ORALXEKAMHOYQB-RKDXNWHRSA-N 0 1 226.276 1.300 20 5 BDBDMN O=C(NCC(C1CC1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839690862 585335154 /nfs/dbraw/zinc/33/51/54/585335154.db2.gz IQYPMSLQOPZJRE-MWLCHTKSSA-N 0 1 238.287 1.204 20 5 BDBDMN CCSCC[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839694838 585335587 /nfs/dbraw/zinc/33/55/87/585335587.db2.gz SKVHTRUPSVQHGY-DJLDLDEBSA-N 0 1 246.332 1.300 20 5 BDBDMN CS[C@@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839693879 585335754 /nfs/dbraw/zinc/33/57/54/585335754.db2.gz XAAGXPOMXRJJRX-JQCXWYLXSA-N 0 1 244.316 1.052 20 5 BDBDMN CC[C@@H]1C[C@H](C)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839695939 585335788 /nfs/dbraw/zinc/33/57/88/585335788.db2.gz NERQLJLCNPIJJU-SGIHWFKDSA-N 0 1 226.276 1.299 20 5 BDBDMN CCC[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839701466 585335904 /nfs/dbraw/zinc/33/59/04/585335904.db2.gz LOAZHGLEFJQIEZ-GMTAPVOTSA-N 0 1 240.303 1.690 20 5 BDBDMN CC[C@H]1CCC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839702828 585336513 /nfs/dbraw/zinc/33/65/13/585336513.db2.gz WGZSUOJTZFBSHP-QCLAVDOMSA-N 0 1 226.276 1.347 20 5 BDBDMN CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839702827 585336773 /nfs/dbraw/zinc/33/67/73/585336773.db2.gz WGZSUOJTZFBSHP-DOLQZWNJSA-N 0 1 226.276 1.347 20 5 BDBDMN CC1=C(C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839751128 585340354 /nfs/dbraw/zinc/34/03/54/585340354.db2.gz VWCNBBOCIDZJQF-NXEZZACHSA-N 0 1 224.260 1.220 20 5 BDBDMN O=C(NCCC1(F)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839771665 585340768 /nfs/dbraw/zinc/34/07/68/585340768.db2.gz VNGMJDGXBJXKSQ-HTQZYQBOSA-N 0 1 230.239 1.050 20 5 BDBDMN O=[N+]([O-])c1ccc(CN2C[C@@H]3C[C@]3(CO)C2)cc1 ZINC000782605788 585821706 /nfs/dbraw/zinc/82/17/06/585821706.db2.gz QVIDQXURRKKOAB-WCQYABFASA-N 0 1 248.282 1.409 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](C2CCC2)C1 ZINC000839947094 586272409 /nfs/dbraw/zinc/27/24/09/586272409.db2.gz GVADXXXNBOUJPH-HBNTYKKESA-N 0 1 238.287 1.300 20 5 BDBDMN C[C@@H](C[N+](=O)[O-])OC(=O)c1ccc2cncn2c1 ZINC000814048267 586613148 /nfs/dbraw/zinc/61/31/48/586613148.db2.gz IZAHDFBBNKDDBJ-QMMMGPOBSA-N 0 1 249.226 1.156 20 5 BDBDMN CONC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000814274957 586620881 /nfs/dbraw/zinc/62/08/81/586620881.db2.gz HUNKZKPYAYMQKK-UHFFFAOYSA-N 0 1 238.243 1.550 20 5 BDBDMN O=C(OC[C@@H]1CC1(F)F)c1ccc([N+](=O)[O-])[nH]1 ZINC000816419695 586727761 /nfs/dbraw/zinc/72/77/61/586727761.db2.gz WETNPTFFOPZCGM-YFKPBYRVSA-N 0 1 246.169 1.735 20 5 BDBDMN CCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC000840470694 587164141 /nfs/dbraw/zinc/16/41/41/587164141.db2.gz QDJODSWGZOUNKM-NXEZZACHSA-N 0 1 240.303 1.881 20 5 BDBDMN O=C(OCC(F)(F)C(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000840671500 587915825 /nfs/dbraw/zinc/91/58/25/587915825.db2.gz VXMOIJHVPZBWDN-QWWZWVQMSA-N 0 1 245.128 1.095 20 5 BDBDMN CCc1ccccc1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673388 587916171 /nfs/dbraw/zinc/91/61/71/587916171.db2.gz MWMHBDMHFRZMRH-VXGBXAGGSA-N 0 1 249.266 1.957 20 5 BDBDMN O=C(O[C@@H]1CCc2cccnc21)[C@@H]1CC1[N+](=O)[O-] ZINC000841197926 587948683 /nfs/dbraw/zinc/94/86/83/587948683.db2.gz YCQQKSBQKROILV-OPRDCNLKSA-N 0 1 248.238 1.277 20 5 BDBDMN O=C(O[C@@H]1CCCC[C@H]1F)[C@@H]1CC1[N+](=O)[O-] ZINC000842362736 588021244 /nfs/dbraw/zinc/02/12/44/588021244.db2.gz XDNBDIOHXNZJBC-FNCVBFRFSA-N 0 1 231.223 1.476 20 5 BDBDMN CC[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(F)(F)F ZINC000842369156 588022116 /nfs/dbraw/zinc/02/21/16/588022116.db2.gz HQUYPDVBVCJYAN-PBXRRBTRSA-N 0 1 241.165 1.536 20 5 BDBDMN O=C(NCC1CCC(F)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000843725667 588135039 /nfs/dbraw/zinc/13/50/39/588135039.db2.gz HJVKVQUSUUEDBN-YDYPAMBWSA-N 0 1 244.266 1.296 20 5 BDBDMN O=C(OC[C@H]1CCC1(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000851320429 588601462 /nfs/dbraw/zinc/60/14/62/588601462.db2.gz PRYMBWNBOQSOQS-FSDSQADBSA-N 0 1 235.186 1.240 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC(F)(F)CC1 ZINC000862713469 589235996 /nfs/dbraw/zinc/23/59/96/589235996.db2.gz KZRLYKAJPNBONK-HTQZYQBOSA-N 0 1 248.229 1.299 20 5 BDBDMN Cc1cc(O)cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000863618884 589304642 /nfs/dbraw/zinc/30/46/42/589304642.db2.gz HYRLDCQVISGVHJ-NXEZZACHSA-N 0 1 236.227 1.304 20 5 BDBDMN C[C@@H](CC1CCC1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000871091367 589723663 /nfs/dbraw/zinc/72/36/63/589723663.db2.gz UCKMOSOCXICWCC-FXBDTBDDSA-N 0 1 226.276 1.347 20 5 BDBDMN O=C(OC1CCSCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000873555507 590057284 /nfs/dbraw/zinc/05/72/84/590057284.db2.gz GDZOSBIISRJPNL-HTQZYQBOSA-N 0 1 231.273 1.090 20 5 BDBDMN C[C@@H]1CCCN1Cc1cccnc1[N+](=O)[O-] ZINC000886027977 592136128 /nfs/dbraw/zinc/13/61/28/592136128.db2.gz KVBZXNSIYOXPBM-SECBINFHSA-N 0 1 221.260 1.974 20 5 BDBDMN O=[N+]([O-])CCN[C@@H]1CCc2c1cccc2F ZINC000899873041 637148211 /nfs/dbraw/zinc/14/82/11/637148211.db2.gz GWDCLIUMHCPPBE-LLVKDONJSA-N 0 1 224.235 1.679 20 5 BDBDMN O=[N+]([O-])CCNCCOC1CCCCC1 ZINC000905057810 637593829 /nfs/dbraw/zinc/59/38/29/637593829.db2.gz ANQYXGVZXXCAKD-UHFFFAOYSA-N 0 1 216.281 1.202 20 5 BDBDMN COC[C@H](Cc1ccccc1)NCC[N+](=O)[O-] ZINC000905144081 637654061 /nfs/dbraw/zinc/65/40/61/637654061.db2.gz DHSHNOVLWGJELX-LBPRGKRZSA-N 0 1 238.287 1.110 20 5 BDBDMN COc1ccc(CNCC[N+](=O)[O-])c(C)c1 ZINC000905168480 637679010 /nfs/dbraw/zinc/67/90/10/637679010.db2.gz ZQLHGXWYBBQPND-UHFFFAOYSA-N 0 1 224.260 1.370 20 5 BDBDMN CSCc1ccc(CNCC[N+](=O)[O-])cc1 ZINC000905258570 637714745 /nfs/dbraw/zinc/71/47/45/637714745.db2.gz YTEPSDBICDMKLF-UHFFFAOYSA-N 0 1 240.328 1.916 20 5 BDBDMN C[C@@H](NCC[N+](=O)[O-])[C@@H](O)c1ccc(F)cc1 ZINC000905351050 637771119 /nfs/dbraw/zinc/77/11/19/637771119.db2.gz QQWWCCWLEZUQJN-LDYMZIIASA-N 0 1 242.250 1.114 20 5 BDBDMN CC(C)CCO[C@@H]1CCN(CC[N+](=O)[O-])C1 ZINC000931089352 640065484 /nfs/dbraw/zinc/06/54/84/640065484.db2.gz UVSMQYSHJXGBOM-LLVKDONJSA-N 0 1 230.308 1.400 20 5 BDBDMN CCSCCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000919668623 642369326 /nfs/dbraw/zinc/36/93/26/642369326.db2.gz PXIGAJVTGJZISG-UHFFFAOYSA-N 0 1 244.272 1.833 20 5 BDBDMN CCCCN(CCOC)CC[N+](=O)[O-] ZINC000929614107 646198055 /nfs/dbraw/zinc/19/80/55/646198055.db2.gz NOIXVIWLXBCMQX-UHFFFAOYSA-N 0 1 204.270 1.012 20 5 BDBDMN CC[C@H](CO)NCc1cc(F)ccc1[N+](=O)[O-] ZINC000035603928 712222799 /nfs/dbraw/zinc/22/27/99/712222799.db2.gz IVNHYIIKVKETDJ-SNVBAGLBSA-N 0 1 242.250 1.594 20 5 BDBDMN CC(C)N1CCC[C@H]1C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC001345019426 980524034 /nfs/dbraw/zinc/52/40/34/980524034.db2.gz RIOROXOXWUECJC-UWVGGRQHSA-N 0 1 244.291 1.068 20 5 BDBDMN Cc1nc[nH]c1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001135674274 971964105 /nfs/dbraw/zinc/96/41/05/971964105.db2.gz ODDOUIDIQQPUGU-UHFFFAOYSA-N 0 1 246.226 1.879 20 5 BDBDMN COc1c(F)cc(NC=N)cc1[N+](=O)[O-] ZINC001167868755 961362713 /nfs/dbraw/zinc/36/27/13/961362713.db2.gz NZJHQYONLVLHJZ-UHFFFAOYSA-N 0 1 213.168 1.761 20 5 BDBDMN Cc1ccnc(N2CCN3CC[C@@H]3C2)c1[N+](=O)[O-] ZINC001158424185 963864918 /nfs/dbraw/zinc/86/49/18/963864918.db2.gz SGLCGKQFXTZWJV-SNVBAGLBSA-N 0 1 248.286 1.193 20 5 BDBDMN Cc1ccnc(N2CCN3CC[C@H]3C2)c1[N+](=O)[O-] ZINC001158424183 963866292 /nfs/dbraw/zinc/86/62/92/963866292.db2.gz SGLCGKQFXTZWJV-JTQLQIEISA-N 0 1 248.286 1.193 20 5 BDBDMN COC1(C)CN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169006000 969329190 /nfs/dbraw/zinc/32/91/90/969329190.db2.gz FBYSSLLCIGWNDT-ZJUUUORDSA-N 0 1 228.292 1.153 20 5 BDBDMN CO[C@@H]1CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1F ZINC001169011070 969338086 /nfs/dbraw/zinc/33/80/86/969338086.db2.gz HZWFFJUTNIFJHC-ZRUFSTJUSA-N 0 1 246.282 1.101 20 5 BDBDMN O=[N+]([O-])C[C@H]1CC[C@@H](N2CC3(C2)CCCO3)C1 ZINC001169014453 969342248 /nfs/dbraw/zinc/34/22/48/969342248.db2.gz ZWQWHVYVCJOVTG-WDEREUQCSA-N 0 1 240.303 1.297 20 5 BDBDMN COc1ncc(-n2cnc(C)c2N)cc1[N+](=O)[O-] ZINC001210137045 969809101 /nfs/dbraw/zinc/80/91/01/969809101.db2.gz RMOJAUICFVASQC-UHFFFAOYSA-N 0 1 249.230 1.075 20 5 BDBDMN Cc1ccc([N+](=O)[O-])cc1-n1cncc1N ZINC001211287242 970218565 /nfs/dbraw/zinc/21/85/65/970218565.db2.gz HIWCNKNZJYDWQO-UHFFFAOYSA-N 0 1 218.216 1.671 20 5 BDBDMN C[C@H](OCc1nn[nH]n1)c1ccccc1[N+](=O)[O-] ZINC001223028103 972808119 /nfs/dbraw/zinc/80/81/19/972808119.db2.gz XGHFURKFHWNLMW-ZETCQYMHSA-N 0 1 249.230 1.386 20 5 BDBDMN CN1CC[C@H](Oc2c(F)cccc2[N+](=O)[O-])C1 ZINC001226006753 974759476 /nfs/dbraw/zinc/75/94/76/974759476.db2.gz HGNOPHLERRYHFW-QMMMGPOBSA-N 0 1 240.234 1.817 20 5 BDBDMN CN1CC[C@@H](Oc2c(O)cccc2[N+](=O)[O-])C1 ZINC001226335585 974862547 /nfs/dbraw/zinc/86/25/47/974862547.db2.gz JGWHUZCACWTKJC-MRVPVSSYSA-N 0 1 238.243 1.383 20 5 BDBDMN O=[N+]([O-])C[C@@H](Oc1nnc2c[nH]ccc1-2)C1CC1 ZINC001228989365 976614586 /nfs/dbraw/zinc/61/45/86/976614586.db2.gz HEAAHPHSQYAJAS-SNVBAGLBSA-N 0 1 248.242 1.392 20 5 BDBDMN O=[N+]([O-])[C@@H]1C[C@H]1c1nnc(CC2CC2)o1 ZINC001349976117 981833107 /nfs/dbraw/zinc/83/31/07/981833107.db2.gz WULVVWXANHGAIF-RNFRBKRXSA-N 0 1 209.205 1.155 20 5 BDBDMN Cn1cncc1Nc1cc(O)cc([N+](=O)[O-])c1 ZINC001199814661 983023435 /nfs/dbraw/zinc/02/34/35/983023435.db2.gz MSMKYOHTTNGBKW-UHFFFAOYSA-N 0 1 234.215 1.778 20 5 BDBDMN CN(Cc1cnc[nH]1)c1ccncc1[N+](=O)[O-] ZINC001472829338 983354251 /nfs/dbraw/zinc/35/42/51/983354251.db2.gz IUYZSRFSHNMXKB-UHFFFAOYSA-N 0 1 233.231 1.349 20 5 BDBDMN O=C(NC[C@H]1C=CCC1)c1n[nH]cc1[N+](=O)[O-] ZINC001471563661 987098131 /nfs/dbraw/zinc/09/81/31/987098131.db2.gz SQCVNNUZNZDIBB-ZETCQYMHSA-N 0 1 236.231 1.014 20 5 BDBDMN O=[N+]([O-])[C@@H]1C[C@H]1c1nnc(-c2ccccc2)o1 ZINC001118420726 988333161 /nfs/dbraw/zinc/33/31/61/988333161.db2.gz PTHJKXBSUHYJKB-RKDXNWHRSA-N 0 1 231.211 1.869 20 5 BDBDMN Cc1ccc2c(c1)[C@@H](NCC[N+](=O)[O-])CC2 ZINC001262559255 992912277 /nfs/dbraw/zinc/91/22/77/992912277.db2.gz GHOPITAQDAXPET-LBPRGKRZSA-N 0 1 220.272 1.849 20 5 BDBDMN CCC(CC)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000152707243 168359709 /nfs/dbraw/zinc/35/97/09/168359709.db2.gz DILZEPBOABGCLM-UHFFFAOYSA-N 0 1 240.263 1.484 20 5 BDBDMN O=[N+]([O-])c1cccc(CCNCc2ccon2)c1 ZINC000602014860 342823541 /nfs/dbraw/zinc/82/35/41/342823541.db2.gz IDZUVPZQSOLQFK-UHFFFAOYSA-N 0 1 247.254 1.915 20 5 BDBDMN CC1(C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1C1CC1 ZINC000365689773 346922671 /nfs/dbraw/zinc/92/26/71/346922671.db2.gz RBKAAUMXSPNWPJ-OPRDCNLKSA-N 0 1 238.287 1.299 20 5 BDBDMN Cc1cc(CNc2ncc(C)cc2[N+](=O)[O-])n[nH]1 ZINC000610283997 343938794 /nfs/dbraw/zinc/93/87/94/343938794.db2.gz QVDHDSUCYMNXJW-UHFFFAOYSA-N 0 1 247.258 1.942 20 5 BDBDMN O=[N+]([O-])c1cccnc1N1CCc2cn[nH]c2C1 ZINC000611006374 344219087 /nfs/dbraw/zinc/21/90/87/344219087.db2.gz HEWNFUWZWHZXFU-UHFFFAOYSA-N 0 1 245.242 1.276 20 5 BDBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CC=CCC1 ZINC000611517439 344748692 /nfs/dbraw/zinc/74/86/92/344748692.db2.gz BXOKTNIWRXQGJP-UHFFFAOYSA-N 0 1 249.270 1.018 20 5 BDBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCO ZINC000595003762 348169261 /nfs/dbraw/zinc/16/92/61/348169261.db2.gz JRTATUGWGHMCMS-MRVPVSSYSA-N 0 1 240.259 1.246 20 5 BDBDMN CO[C@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000599017317 349083153 /nfs/dbraw/zinc/08/31/53/349083153.db2.gz XKBKIHHQDOIYBO-KYZUINATSA-N 0 1 242.300 1.923 20 5 BDBDMN CC1(C)C[C@@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343470481 350964180 /nfs/dbraw/zinc/96/41/80/350964180.db2.gz KTAHOEGIBLUHEY-ZCFIWIBFSA-N 0 1 238.247 1.094 20 5 BDBDMN C[C@H]1CN(C)CCN1c1ccccc1[N+](=O)[O-] ZINC000344426072 351125838 /nfs/dbraw/zinc/12/58/38/351125838.db2.gz IUZSKBOYSYGCJD-JTQLQIEISA-N 0 1 235.287 1.735 20 5 BDBDMN O=[N+]([O-])c1cc(F)ccc1NCc1nnc[nH]1 ZINC000063248135 351293418 /nfs/dbraw/zinc/29/34/18/351293418.db2.gz SEQCHRCXELBTTA-UHFFFAOYSA-N 0 1 237.194 1.464 20 5 BDBDMN CN(Cc1cnc[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC000619510999 352199267 /nfs/dbraw/zinc/19/92/67/352199267.db2.gz ALOVRSBBVPVAJS-UHFFFAOYSA-N 0 1 246.270 1.950 20 5 BDBDMN COc1cc(CN(C)CCO)ccc1[N+](=O)[O-] ZINC000351970615 134024832 /nfs/dbraw/zinc/02/48/32/134024832.db2.gz GDTDUWVTPZEAKI-UHFFFAOYSA-N 0 1 240.259 1.028 20 5 BDBDMN Cc1[nH]ncc1CNc1ccc([N+](=O)[O-])nc1 ZINC000053297443 356210269 /nfs/dbraw/zinc/21/02/69/356210269.db2.gz QQHQDFWNBAKNGR-UHFFFAOYSA-N 0 1 233.231 1.633 20 5 BDBDMN Cc1c(C[N@@H+](C)CC(=O)[O-])cccc1[N+](=O)[O-] ZINC000035649611 358012858 /nfs/dbraw/zinc/01/28/58/358012858.db2.gz LMELAYIADRSTLO-UHFFFAOYSA-N 0 1 238.243 1.420 20 5 BDBDMN CC[C@@H](C)N(C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602439693 371803102 /nfs/dbraw/zinc/80/31/02/371803102.db2.gz LCBYDOABRZYFST-MRVPVSSYSA-N 0 1 226.280 1.559 20 5 BDBDMN Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1C ZINC000602780154 371838571 /nfs/dbraw/zinc/83/85/71/371838571.db2.gz FJPCWAHDPDCZNS-SECBINFHSA-N 0 1 238.291 1.584 20 5 BDBDMN O=C(NCC12CCC(CC1)C2)[C@H]1CC1[N+](=O)[O-] ZINC000366690804 182133602 /nfs/dbraw/zinc/13/36/02/182133602.db2.gz VAXZEOFOHZJEFW-MBPTXSFVSA-N 0 1 238.287 1.348 20 5 BDBDMN O=[N+]([O-])c1cccc(CCNCc2ncc[nH]2)c1 ZINC000158026998 384042880 /nfs/dbraw/zinc/04/28/80/384042880.db2.gz XRPIFQVQJMSQOT-UHFFFAOYSA-N 0 1 246.270 1.650 20 5 BDBDMN CC[C@H](CO)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000293913151 384065116 /nfs/dbraw/zinc/06/51/16/384065116.db2.gz OPTFZQXMRIPEHP-LLVKDONJSA-N 0 1 238.287 1.798 20 5 BDBDMN Cc1[nH]ncc1CNc1ncc(C)cc1[N+](=O)[O-] ZINC000090692064 384068501 /nfs/dbraw/zinc/06/85/01/384068501.db2.gz IWEHCZIIUVADSD-UHFFFAOYSA-N 0 1 247.258 1.942 20 5 BDBDMN C[C@H](O)CCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000075783299 384338065 /nfs/dbraw/zinc/33/80/65/384338065.db2.gz GNIZUKKXWAETTL-JTQLQIEISA-N 0 1 238.287 1.798 20 5 BDBDMN C[C@@H](N[C@H]1CCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000179063608 384381859 /nfs/dbraw/zinc/38/18/59/384381859.db2.gz BCXBRRYCZCYUSW-KCJUWKMLSA-N 0 1 249.270 1.134 20 5 BDBDMN CN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000106882409 384935794 /nfs/dbraw/zinc/93/57/94/384935794.db2.gz LHBMSLQBQQJLMM-GFCCVEGCSA-N 0 1 236.271 1.816 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC2(CC2)C1 ZINC000364284247 385026684 /nfs/dbraw/zinc/02/66/84/385026684.db2.gz UYPMXQFASXNGNI-BDAKNGLRSA-N 0 1 224.260 1.054 20 5 BDBDMN O=[N+]([O-])c1cccc(CN2C[C@@H](O)C3(CC3)C2)c1 ZINC000364317714 385029953 /nfs/dbraw/zinc/02/99/53/385029953.db2.gz OWZYOUJZWZOZQM-GFCCVEGCSA-N 0 1 248.282 1.552 20 5 BDBDMN CCCc1[nH]nc(C(=O)N(C)CC)c1[N+](=O)[O-] ZINC000264871992 385688740 /nfs/dbraw/zinc/68/87/40/385688740.db2.gz OWGZKGSGZKWEPB-UHFFFAOYSA-N 0 1 240.263 1.362 20 5 BDBDMN O=[N+]([O-])c1cnn(CCNCc2ccco2)c1 ZINC000151295047 386663480 /nfs/dbraw/zinc/66/34/80/386663480.db2.gz DBVDQNYCRYFULT-UHFFFAOYSA-N 0 1 236.231 1.174 20 5 BDBDMN O=C(NCCCC1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000161947120 387278341 /nfs/dbraw/zinc/27/83/41/387278341.db2.gz LFRYQVBCULPTDX-UHFFFAOYSA-N 0 1 238.247 1.238 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC(C2CCCC2)C1 ZINC000372976036 388085052 /nfs/dbraw/zinc/08/50/52/388085052.db2.gz DKFKTVPNOGTNKE-MNOVXSKESA-N 0 1 238.287 1.300 20 5 BDBDMN CC(C)N(Cc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000352771074 388364106 /nfs/dbraw/zinc/36/41/06/388364106.db2.gz WUIOWUTUZQDPHY-UHFFFAOYSA-N 0 1 240.307 1.947 20 5 BDBDMN C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000351956984 177266607 /nfs/dbraw/zinc/26/66/07/177266607.db2.gz DTQOASSSMZZCST-CABZTGNLSA-N 0 1 236.271 1.407 20 5 BDBDMN C[C@@H](O)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000051821342 488049357 /nfs/dbraw/zinc/04/93/57/488049357.db2.gz XBTPHQRWTFPAQM-SECBINFHSA-N 0 1 224.260 1.407 20 5 BDBDMN CCC(N)=NOCc1onc(C)c1[N+](=O)[O-] ZINC000853656210 588752788 /nfs/dbraw/zinc/75/27/88/588752788.db2.gz KRPWZDWLLJDTTJ-UHFFFAOYSA-N 0 1 228.208 1.300 20 5 BDBDMN CC(C)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000856123569 588861249 /nfs/dbraw/zinc/86/12/49/588861249.db2.gz YEGHXHKDHBQJPL-BBBLOLIVSA-N 0 1 226.276 1.202 20 5 BDBDMN CCCCOCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673537 583424026 /nfs/dbraw/zinc/42/40/26/583424026.db2.gz RRYQLGUVSRKKRP-RKDXNWHRSA-N 0 1 231.248 1.012 20 5 BDBDMN O=C(O[C@@H]1CCc2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000840673666 583425669 /nfs/dbraw/zinc/42/56/69/583425669.db2.gz XSIPMMPUFKSBMH-IJLUTSLNSA-N 0 1 247.250 1.882 20 5 BDBDMN C[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1C ZINC000839472617 585105030 /nfs/dbraw/zinc/10/50/30/585105030.db2.gz CPDQULPEDRNWBA-RCZSTQMZSA-N 0 1 240.303 1.593 20 5 BDBDMN CC(C)CC[C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839486293 585105059 /nfs/dbraw/zinc/10/50/59/585105059.db2.gz MUMBKKYRKGIRFZ-OPRDCNLKSA-N 0 1 228.292 1.593 20 5 BDBDMN O=C(Nc1ccc(Cl)nc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839499024 585105888 /nfs/dbraw/zinc/10/58/88/585105888.db2.gz SNYQYQXSGPYXDC-RNFRBKRXSA-N 0 1 241.634 1.339 20 5 BDBDMN C[C@H]1CCCC[C@@H]1N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839509301 585105992 /nfs/dbraw/zinc/10/59/92/585105992.db2.gz XHTLDSKLYWATIJ-ZRUFSTJUSA-N 0 1 240.303 1.689 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]1c1ccccc1 ZINC000839528568 585146924 /nfs/dbraw/zinc/14/69/24/585146924.db2.gz PVHROWTWEDBFCT-GRYCIOLGSA-N 0 1 246.266 1.625 20 5 BDBDMN CC[C@H]1C[C@@H](C)CN1Cn1nccc1[N+](=O)[O-] ZINC000744442076 585150364 /nfs/dbraw/zinc/15/03/64/585150364.db2.gz WHIZIGNYDZSCJH-ZJUUUORDSA-N 0 1 238.291 1.869 20 5 BDBDMN C[C@H]1CCC[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839572741 585330685 /nfs/dbraw/zinc/33/06/85/585330685.db2.gz JRQSRNQZIHVLQX-LNFKQOIKSA-N 0 1 240.303 1.594 20 5 BDBDMN CCC[C@@H](CC)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839596926 585331499 /nfs/dbraw/zinc/33/14/99/585331499.db2.gz BSMWNLMGGBPZJV-IWSPIJDZSA-N 0 1 214.265 1.347 20 5 BDBDMN C[C@H]1SCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1C ZINC000839685316 585335129 /nfs/dbraw/zinc/33/51/29/585335129.db2.gz CEMCYXRDTCSVOM-JQCXWYLXSA-N 0 1 244.316 1.004 20 5 BDBDMN Cc1cc(O)ccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839687699 585335317 /nfs/dbraw/zinc/33/53/17/585335317.db2.gz INFGIIMIDALMDK-PSASIEDQSA-N 0 1 236.227 1.304 20 5 BDBDMN CC(C)CC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839700851 585336033 /nfs/dbraw/zinc/33/60/33/585336033.db2.gz MLULWGASBNBZCU-NXEZZACHSA-N 0 1 240.303 1.594 20 5 BDBDMN CCC[C@H]1SCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839684081 585337242 /nfs/dbraw/zinc/33/72/42/585337242.db2.gz SDYSKWJLRIZUEP-IWSPIJDZSA-N 0 1 244.316 1.353 20 5 BDBDMN O=C(NC/C=C/c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839680895 585337261 /nfs/dbraw/zinc/33/72/61/585337261.db2.gz LRKJMTXHOKRFJA-KSOFABFVSA-N 0 1 246.266 1.481 20 5 BDBDMN Cc1cscc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839710338 585337756 /nfs/dbraw/zinc/33/77/56/585337756.db2.gz XHJVLXMRXQRVBL-HTRCEHHLSA-N 0 1 226.257 1.660 20 5 BDBDMN C[C@H](CC(F)(F)F)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839726392 585338646 /nfs/dbraw/zinc/33/86/46/585338646.db2.gz UIHORYGKVVNFLS-HSUXUTPPSA-N 0 1 240.181 1.109 20 5 BDBDMN C[C@@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H]1C ZINC000839725894 585338683 /nfs/dbraw/zinc/33/86/83/585338683.db2.gz LPXOSGXWVJXQGC-ZKKRXERASA-N 0 1 240.303 1.593 20 5 BDBDMN C[C@@H]1CCCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839727488 585338933 /nfs/dbraw/zinc/33/89/33/585338933.db2.gz FAGYWPHEHSLMLF-OPRDCNLKSA-N 0 1 226.276 1.300 20 5 BDBDMN O=C(N[C@H]1CC12CCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000839743544 585339854 /nfs/dbraw/zinc/33/98/54/585339854.db2.gz POOLQOXYOWLOTM-HLTSFMKQSA-N 0 1 224.260 1.101 20 5 BDBDMN CC1(C)C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1(C)C ZINC000839748417 585340226 /nfs/dbraw/zinc/34/02/26/585340226.db2.gz SCEJHCCXOLCWPN-HTQZYQBOSA-N 0 1 240.303 1.450 20 5 BDBDMN CC1=C[C@H](C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839750027 585340401 /nfs/dbraw/zinc/34/04/01/585340401.db2.gz GYIFAUSPVYIULC-FXBDTBDDSA-N 0 1 224.260 1.076 20 5 BDBDMN CCN(CC(C)(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839775224 585341047 /nfs/dbraw/zinc/34/10/47/585341047.db2.gz SWGBAMFICKUQFJ-RKDXNWHRSA-N 0 1 228.292 1.546 20 5 BDBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1c[nH]nn1 ZINC000789926243 585953481 /nfs/dbraw/zinc/95/34/81/585953481.db2.gz FGPOLXIHAXVRBS-UHFFFAOYSA-N 0 1 247.214 1.274 20 5 BDBDMN O=C(Nc1c[nH]nn1)c1ccc([N+](=O)[O-])s1 ZINC000789926914 585953587 /nfs/dbraw/zinc/95/35/87/585953587.db2.gz HCOKMNISVNCFQQ-UHFFFAOYSA-N 0 1 239.216 1.027 20 5 BDBDMN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1c[nH]nn1 ZINC000819495511 586970362 /nfs/dbraw/zinc/97/03/62/586970362.db2.gz ZNDBKABUYOOPNS-UHFFFAOYSA-N 0 1 247.214 1.274 20 5 BDBDMN O=C(NC1(C2CCC2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000840476020 587199178 /nfs/dbraw/zinc/19/91/78/587199178.db2.gz RQKLVWVHKVEGCK-NXEZZACHSA-N 0 1 238.287 1.491 20 5 BDBDMN C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CCS1 ZINC000834639328 587762320 /nfs/dbraw/zinc/76/23/20/587762320.db2.gz XVYRJKUTRDVQRJ-BZNPZCIMSA-N 0 1 244.316 1.052 20 5 BDBDMN O=C(OC[C@@H](F)C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000840673593 587915018 /nfs/dbraw/zinc/91/50/18/587915018.db2.gz ULPAHMPDRKMFKG-UOWFLXDJSA-N 0 1 245.128 1.095 20 5 BDBDMN O=C(OC[C@@H]1CCC(F)(F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000840674893 587916251 /nfs/dbraw/zinc/91/62/51/587916251.db2.gz RJOZFGSQHRGXIL-BWZBUEFSSA-N 0 1 249.213 1.630 20 5 BDBDMN C[C@@H]1CCC[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000841004114 587934725 /nfs/dbraw/zinc/93/47/25/587934725.db2.gz MGKWENWNNLFCIL-ZYUZMQFOSA-N 0 1 227.260 1.774 20 5 BDBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](C)C(C)C ZINC000841086757 587946005 /nfs/dbraw/zinc/94/60/05/587946005.db2.gz LLAKZTQTVSAHMW-OPRDCNLKSA-N 0 1 228.292 1.545 20 5 BDBDMN C[C@@H]1[C@H](C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1C ZINC000841366131 587953030 /nfs/dbraw/zinc/95/30/30/587953030.db2.gz XJULDQMAQNHMFA-HOTMZDKISA-N 0 1 226.276 1.155 20 5 BDBDMN O=C(Oc1cccc2[nH]ccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000842312719 588016532 /nfs/dbraw/zinc/01/65/32/588016532.db2.gz IRBLNZWODMGFKC-PSASIEDQSA-N 0 1 246.222 1.739 20 5 BDBDMN CC(C)[C@]1(C)C[C@H]1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842337170 588019284 /nfs/dbraw/zinc/01/92/84/588019284.db2.gz AWCWQDPJAMHNCF-XNDJQWLSSA-N 0 1 241.287 1.877 20 5 BDBDMN CC(C)[C@H]1C[C@@H]1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842335833 588019469 /nfs/dbraw/zinc/01/94/69/588019469.db2.gz GMHSOCUDSMCFPD-ZYUZMQFOSA-N 0 1 227.260 1.487 20 5 BDBDMN CCC[C@H](C)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842344484 588020133 /nfs/dbraw/zinc/02/01/33/588020133.db2.gz QAJHPDSTLNELCP-DJLDLDEBSA-N 0 1 215.249 1.631 20 5 BDBDMN O=C(OCCCCC1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000842367709 588021888 /nfs/dbraw/zinc/02/18/88/588021888.db2.gz ZGSQLHGIKLGPFC-NXEZZACHSA-N 0 1 227.260 1.775 20 5 BDBDMN CO[C@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCC1 ZINC000849806902 588501646 /nfs/dbraw/zinc/50/16/46/588501646.db2.gz LBHZKVHXQRUPCG-OPRDCNLKSA-N 0 1 243.259 1.010 20 5 BDBDMN O=C(OCCCC1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000869539125 589612737 /nfs/dbraw/zinc/61/27/37/589612737.db2.gz WMJBHOIKFMCHGO-RKDXNWHRSA-N 0 1 213.233 1.385 20 5 BDBDMN CCc1[nH]nc(C(=O)N2CC[C@@H]2C)c1[N+](=O)[O-] ZINC000881480370 591208671 /nfs/dbraw/zinc/20/86/71/591208671.db2.gz SELCKRVTVWJBHZ-LURJTMIESA-N 0 1 238.247 1.115 20 5 BDBDMN O=C(NCC1(CC2CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000881519237 591227532 /nfs/dbraw/zinc/22/75/32/591227532.db2.gz FWMAULDWLKFLTO-NXEZZACHSA-N 0 1 238.287 1.348 20 5 BDBDMN CC1(C)CC[C@@H](COC(=O)[C@@H]2CC2[N+](=O)[O-])O1 ZINC000840672930 635846360 /nfs/dbraw/zinc/84/63/60/635846360.db2.gz GMSMQUOHDBNDCN-DJLDLDEBSA-N 0 1 243.259 1.152 20 5 BDBDMN CCc1cccc(COC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000840672994 635846612 /nfs/dbraw/zinc/84/66/12/635846612.db2.gz HGNDWMBKSZTBMC-VXGBXAGGSA-N 0 1 249.266 1.957 20 5 BDBDMN O=[N+]([O-])CCN1CC2(CCC2)[C@@H]1C1CC1 ZINC000899886171 637148187 /nfs/dbraw/zinc/14/81/87/637148187.db2.gz RQKKNZBNMWHGFP-JTQLQIEISA-N 0 1 210.277 1.528 20 5 BDBDMN Cc1cccc(C)c1OCCNCC[N+](=O)[O-] ZINC000905047203 637563014 /nfs/dbraw/zinc/56/30/14/637563014.db2.gz TZBUQRCJCHQURN-UHFFFAOYSA-N 0 1 238.287 1.549 20 5 BDBDMN Cc1nc(C)c(CNCC[N+](=O)[O-])s1 ZINC000905136159 637647292 /nfs/dbraw/zinc/64/72/92/637647292.db2.gz LCMDGVOKWZAPOR-UHFFFAOYSA-N 0 1 215.278 1.126 20 5 BDBDMN O=[N+]([O-])CCNCc1ccc(C(F)F)cc1 ZINC000905215228 637699822 /nfs/dbraw/zinc/69/98/22/637699822.db2.gz LNKDITJMBDPIMK-UHFFFAOYSA-N 0 1 230.214 1.991 20 5 BDBDMN C[C@@H](NCC[N+](=O)[O-])c1ccsc1 ZINC000930345351 639715865 /nfs/dbraw/zinc/71/58/65/639715865.db2.gz NJYFFGIGWYYMGX-SSDOTTSWSA-N 0 1 200.263 1.675 20 5 BDBDMN CCOC1(C)CCN(CC[N+](=O)[O-])CC1 ZINC000930539187 639805675 /nfs/dbraw/zinc/80/56/75/639805675.db2.gz VZPWPDLYJWDACN-UHFFFAOYSA-N 0 1 216.281 1.154 20 5 BDBDMN O=[N+]([O-])CCN1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000931922906 640389983 /nfs/dbraw/zinc/38/99/83/640389983.db2.gz KYCPGWIASYQPSC-QWHCGFSZSA-N 0 1 232.283 1.537 20 5 BDBDMN O=C(OCc1ccoc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000919667962 642369178 /nfs/dbraw/zinc/36/91/78/642369178.db2.gz MNESIDBXKCSUTN-UHFFFAOYSA-N 0 1 236.183 1.873 20 5 BDBDMN O=[N+]([O-])c1ccc(NNC2=[NH+]C=C([O-])C2)cc1 ZINC000747624782 644586037 /nfs/dbraw/zinc/58/60/37/644586037.db2.gz WBKMJFGYUXYYSF-UHFFFAOYSA-N 0 1 234.215 1.365 20 5 BDBDMN CC(C)(NCC[N+](=O)[O-])c1ccccc1 ZINC000929499722 646152772 /nfs/dbraw/zinc/15/27/72/646152772.db2.gz LQDBLTFAKUBTFJ-UHFFFAOYSA-N 0 1 208.261 1.788 20 5 BDBDMN O=[N+]([O-])CCN1CCC(C2CCOCC2)CC1 ZINC000930083707 646424690 /nfs/dbraw/zinc/42/46/90/646424690.db2.gz KSHHYJINVJUVOM-UHFFFAOYSA-N 0 1 242.319 1.402 20 5 BDBDMN CCN1CC[C@@H]1CNc1cccnc1[N+](=O)[O-] ZINC000712593178 712435449 /nfs/dbraw/zinc/43/54/49/712435449.db2.gz CTOSKMXVBUOKPF-SECBINFHSA-N 0 1 236.275 1.496 20 5 BDBDMN CC(C)N1CCC[C@@H]1C(=O)O[C@H](C)C[N+](=O)[O-] ZINC001345019423 980524538 /nfs/dbraw/zinc/52/45/38/980524538.db2.gz RIOROXOXWUECJC-NXEZZACHSA-N 0 1 244.291 1.068 20 5 BDBDMN CCC=CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC001170763316 971748496 /nfs/dbraw/zinc/74/84/96/971748496.db2.gz DWCMGEAEMZJISD-ONEGZZNKSA-N 0 1 236.231 1.424 20 5 BDBDMN CO[C@H](C)COc1cc(O)ccc1[N+](=O)[O-] ZINC001225491221 974527341 /nfs/dbraw/zinc/52/73/41/974527341.db2.gz NOXJUKAGRYIFAB-SSDOTTSWSA-N 0 1 227.216 1.714 20 5 BDBDMN COc1ccc([N+](=O)[O-])cc1-n1cnc(C)c1N ZINC001210445164 957751956 /nfs/dbraw/zinc/75/19/56/957751956.db2.gz ZGLOGWOGUASOJM-UHFFFAOYSA-N 0 1 248.242 1.680 20 5 BDBDMN CC(F)(F)CN[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168960754 969308997 /nfs/dbraw/zinc/30/89/97/969308997.db2.gz GWKYUOFDDSTDEU-HTQZYQBOSA-N 0 1 222.235 1.677 20 5 BDBDMN O=[N+]([O-])C[C@@H]1CC[C@@H](NCc2ncco2)C1 ZINC001168959579 969310827 /nfs/dbraw/zinc/31/08/27/969310827.db2.gz WXMZMORSLRJGIE-RKDXNWHRSA-N 0 1 225.248 1.210 20 5 BDBDMN Cc1cnc(CN)n1-c1cc([N+](=O)[O-])c(C)cn1 ZINC001169029444 969349428 /nfs/dbraw/zinc/34/94/28/969349428.db2.gz PTIMDNWQNHKLBM-UHFFFAOYSA-N 0 1 247.258 1.251 20 5 BDBDMN C[C@H]1CC(=O)CCN1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038545 969356015 /nfs/dbraw/zinc/35/60/15/969356015.db2.gz ZKNAVUONWRUHHP-AXFHLTTASA-N 0 1 240.303 1.485 20 5 BDBDMN Nc1ccc(Nc2ccncc2)cc1[N+](=O)[O-] ZINC001209932636 969696235 /nfs/dbraw/zinc/69/62/35/969696235.db2.gz PZSBNQKFLADKPI-UHFFFAOYSA-N 0 1 230.227 1.738 20 5 BDBDMN C[C@@H]1OCC[C@@H]1c1nnc([C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001329342770 973695069 /nfs/dbraw/zinc/69/50/69/973695069.db2.gz FVLZIXZHSNOELS-RULNZFCNSA-N 0 1 239.231 1.095 20 5 BDBDMN CCN1CC(Oc2cc(O)ccc2[N+](=O)[O-])C1 ZINC001225488975 974525700 /nfs/dbraw/zinc/52/57/00/974525700.db2.gz OPVNPRCLOCNOKT-UHFFFAOYSA-N 0 1 238.243 1.383 20 5 BDBDMN O=[N+]([O-])c1ccc(O)cc1OC1COC1 ZINC001225488827 974526063 /nfs/dbraw/zinc/52/60/63/974526063.db2.gz LZNHBWUSZCSAKG-UHFFFAOYSA-N 0 1 211.173 1.078 20 5 BDBDMN CN1CC[C@H](Oc2ncccc2[N+](=O)[O-])C1 ZINC001225591344 974579447 /nfs/dbraw/zinc/57/94/47/974579447.db2.gz XBIVUZDJGZHDDZ-QMMMGPOBSA-N 0 1 223.232 1.073 20 5 BDBDMN O=[N+]([O-])c1cncc(O[C@H]2CN3CCC2CC3)c1 ZINC001227988835 975833427 /nfs/dbraw/zinc/83/34/27/975833427.db2.gz YMVCHKYJDPMDBD-LBPRGKRZSA-N 0 1 249.270 1.463 20 5 BDBDMN O=C1CC(Oc2cc3[nH]ncc3cc2[N+](=O)[O-])C1 ZINC001230600157 977265482 /nfs/dbraw/zinc/26/54/82/977265482.db2.gz CHWJQOAZSAUOGF-UHFFFAOYSA-N 0 1 247.210 1.581 20 5 BDBDMN O=[N+]([O-])CCN1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001176927327 978245927 /nfs/dbraw/zinc/24/59/27/978245927.db2.gz QWCJKAUPVIVDBR-MNOVXSKESA-N 0 1 228.292 1.297 20 5 BDBDMN O=C(N[C@@H]1C[C@@H]2CCCC[C@H]12)[C@@H]1CC1[N+](=O)[O-] ZINC001338203820 978632222 /nfs/dbraw/zinc/63/22/22/978632222.db2.gz XYVZCMSFBVQLOX-FBDQPXRJSA-N 0 1 238.287 1.347 20 5 BDBDMN Cc1ncn(-c2ccc([N+](=O)[O-])nc2)c1N ZINC001203568950 979831004 /nfs/dbraw/zinc/83/10/04/979831004.db2.gz KWJJUCQOMIXWBW-UHFFFAOYSA-N 0 1 219.204 1.066 20 5 BDBDMN C[C@H]1[C@@H](O)CCN1Cc1ccccc1[N+](=O)[O-] ZINC001460114740 985750244 /nfs/dbraw/zinc/75/02/44/985750244.db2.gz XLZZWVWXHWQAIV-CABZTGNLSA-N 0 1 236.271 1.550 20 5 BDBDMN C[C@@H]1CCC(F)(F)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001120741244 989861944 /nfs/dbraw/zinc/86/19/44/989861944.db2.gz JYQPFXKEZNLUGK-BWZBUEFSSA-N 0 1 248.229 1.298 20 5 BDBDMN CC[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1C ZINC001539120811 990558562 /nfs/dbraw/zinc/55/85/62/990558562.db2.gz KFUVUAYQKTZWTM-AXTSPUMRSA-N 0 1 226.276 1.299 20 5 BDBDMN O=[N+]([O-])c1cnccc1N1CC(N2CCCC2)C1 ZINC000601193203 344658430 /nfs/dbraw/zinc/65/84/30/344658430.db2.gz BGYPWHRIEYHGIM-UHFFFAOYSA-N 0 1 248.286 1.274 20 5 BDBDMN Cc1[nH]nc(C(=O)N(C)C(C)C)c1[N+](=O)[O-] ZINC000081644073 345488966 /nfs/dbraw/zinc/48/89/66/345488966.db2.gz ROXDPPZAVJZRCL-UHFFFAOYSA-N 0 1 226.236 1.107 20 5 BDBDMN Cc1c(CNCc2cn[nH]c2)cccc1[N+](=O)[O-] ZINC000616483560 347223131 /nfs/dbraw/zinc/22/31/31/347223131.db2.gz KNJRSFQMPNWQIA-UHFFFAOYSA-N 0 1 246.270 1.916 20 5 BDBDMN CC1(C)C[C@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343470469 350963911 /nfs/dbraw/zinc/96/39/11/350963911.db2.gz KTAHOEGIBLUHEY-LURJTMIESA-N 0 1 238.247 1.094 20 5 BDBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(N)=O ZINC000035149285 355852904 /nfs/dbraw/zinc/85/29/04/355852904.db2.gz BDYUBJBRMAUCNX-JGVFFNPUSA-N 0 1 237.259 1.119 20 5 BDBDMN C[C@@H](NC/C=C\c1ccccc1[N+](=O)[O-])C(N)=O ZINC000618619968 357225255 /nfs/dbraw/zinc/22/52/55/357225255.db2.gz ILTWANFDHYESHT-XTULLQBASA-N 0 1 249.270 1.071 20 5 BDBDMN C[C@@H](CC(N)=O)NCc1csc([N+](=O)[O-])c1 ZINC000160802330 358709649 /nfs/dbraw/zinc/70/96/49/358709649.db2.gz FYRZXIALDZNAHS-LURJTMIESA-N 0 1 243.288 1.010 20 5 BDBDMN C[C@@H]1CC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000444463684 193046707 /nfs/dbraw/zinc/04/67/07/193046707.db2.gz HIFPFUJEYCGTNX-RNFRBKRXSA-N 0 1 238.247 1.236 20 5 BDBDMN C[C@H]1CC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000444463683 193046814 /nfs/dbraw/zinc/04/68/14/193046814.db2.gz HIFPFUJEYCGTNX-NKWVEPMBSA-N 0 1 238.247 1.236 20 5 BDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1C[C@@H]2C[C@@H]2C1 ZINC000600222597 371651832 /nfs/dbraw/zinc/65/18/32/371651832.db2.gz XXFXNJYISDTYAQ-DTORHVGOSA-N 0 1 248.238 1.392 20 5 BDBDMN O=[N+]([O-])c1ccc(N2CC(N3CCCC3)C2)nc1 ZINC000601194013 371736667 /nfs/dbraw/zinc/73/66/67/371736667.db2.gz UVEWYNAZZHAIJZ-UHFFFAOYSA-N 0 1 248.286 1.274 20 5 BDBDMN CC[C@@H]1CCCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602449225 371805096 /nfs/dbraw/zinc/80/50/96/371805096.db2.gz PAJZSRGGZXZSQZ-SNVBAGLBSA-N 0 1 238.291 1.703 20 5 BDBDMN CC[C@@H](C)N(CC)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602885388 371852304 /nfs/dbraw/zinc/85/23/04/371852304.db2.gz VHILDTVHNQXFHR-SECBINFHSA-N 0 1 240.307 1.949 20 5 BDBDMN Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1C ZINC000602780156 371839207 /nfs/dbraw/zinc/83/92/07/371839207.db2.gz FJPCWAHDPDCZNS-VIFPVBQESA-N 0 1 238.291 1.584 20 5 BDBDMN Cc1ncc([N+](=O)[O-])n1CCN1CC=CCC1 ZINC000602803192 371842497 /nfs/dbraw/zinc/84/24/97/371842497.db2.gz YZAHWZQXJHNZAP-UHFFFAOYSA-N 0 1 236.275 1.362 20 5 BDBDMN CCCN(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000299556429 169062345 /nfs/dbraw/zinc/06/23/45/169062345.db2.gz KNMLIRUNZWZKNZ-UHFFFAOYSA-N 0 1 226.236 1.108 20 5 BDBDMN C[C@H](O)C[N@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339208255 383928142 /nfs/dbraw/zinc/92/81/42/383928142.db2.gz DBJODAXASNCHJN-QMMMGPOBSA-N 0 1 240.259 1.113 20 5 BDBDMN C[C@H](O)C[N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339208255 383928150 /nfs/dbraw/zinc/92/81/50/383928150.db2.gz DBJODAXASNCHJN-QMMMGPOBSA-N 0 1 240.259 1.113 20 5 BDBDMN Cc1nc([C@H](C)Nc2ncccc2[N+](=O)[O-])n[nH]1 ZINC000286661164 384014172 /nfs/dbraw/zinc/01/41/72/384014172.db2.gz XAZKONPPMNFSAL-LURJTMIESA-N 0 1 248.246 1.589 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC12CCCC2 ZINC000365535949 385382948 /nfs/dbraw/zinc/38/29/48/385382948.db2.gz ITIVKHGYBVWAPB-ZJUUUORDSA-N 0 1 238.287 1.587 20 5 BDBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC2(CCC2)C1 ZINC000366131703 386580611 /nfs/dbraw/zinc/58/06/11/386580611.db2.gz MFMMEVMVAQVLBJ-IUCAKERBSA-N 0 1 224.260 1.054 20 5 BDBDMN CO[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000267648153 387040908 /nfs/dbraw/zinc/04/09/08/387040908.db2.gz KNAVECYGJOLEIU-NSHDSACASA-N 0 1 236.271 1.816 20 5 BDBDMN O=[N+]([O-])c1cccc(CN2C[C@H]3[C@H](CO)[C@H]3C2)c1 ZINC000368333638 387293864 /nfs/dbraw/zinc/29/38/64/387293864.db2.gz UETQLJNOUHRJMS-ITGUQSILSA-N 0 1 248.282 1.265 20 5 BDBDMN CC(C)[C@H](C)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000179404060 256513664 /nfs/dbraw/zinc/51/36/64/256513664.db2.gz PSEXWDPFVIKCHT-SSDOTTSWSA-N 0 1 240.263 1.340 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1C1CC1 ZINC000377541503 388725397 /nfs/dbraw/zinc/72/53/97/388725397.db2.gz DEDBGSDDXXWUAI-BBBLOLIVSA-N 0 1 224.260 1.053 20 5 BDBDMN CC1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000332019222 168189834 /nfs/dbraw/zinc/18/98/34/168189834.db2.gz UBZKWZXTVVYMAU-UHFFFAOYSA-N 0 1 236.227 1.392 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2CCCC[C@@H]21 ZINC000855062094 588821835 /nfs/dbraw/zinc/82/18/35/588821835.db2.gz XINCJSSHLMCUMN-QCLAVDOMSA-N 0 1 224.260 1.053 20 5 BDBDMN CCc1ccc(COC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000840670851 583405109 /nfs/dbraw/zinc/40/51/09/583405109.db2.gz KVPNUQRDHROHQU-VXGBXAGGSA-N 0 1 249.266 1.957 20 5 BDBDMN O=C(OC/C(Cl)=C/Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000840670982 583407120 /nfs/dbraw/zinc/40/71/20/583407120.db2.gz OLGDFYAGRALIFX-JPEPUSQISA-N 0 1 240.042 1.514 20 5 BDBDMN Cc1cncc(COC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000840673676 583425801 /nfs/dbraw/zinc/42/58/01/583425801.db2.gz YCYHPVBEPFNTGS-NXEZZACHSA-N 0 1 236.227 1.098 20 5 BDBDMN C[C@H]1CCCC[C@@H]1OCCNCC[N+](=O)[O-] ZINC000899871911 584244828 /nfs/dbraw/zinc/24/48/28/584244828.db2.gz VIJJCUKQKKTZSA-QWRGUYRKSA-N 0 1 230.308 1.448 20 5 BDBDMN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1C ZINC000839472614 585105196 /nfs/dbraw/zinc/10/51/96/585105196.db2.gz CPDQULPEDRNWBA-MVCUBJFGSA-N 0 1 240.303 1.593 20 5 BDBDMN C[C@H](N(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)(C)C ZINC000839507093 585105632 /nfs/dbraw/zinc/10/56/32/585105632.db2.gz VBXJNQALELDQCA-DJLDLDEBSA-N 0 1 228.292 1.545 20 5 BDBDMN CC[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839525534 585105768 /nfs/dbraw/zinc/10/57/68/585105768.db2.gz ZUZAFVMHQQJBSF-OPRDCNLKSA-N 0 1 226.276 1.300 20 5 BDBDMN CC[C@@H]1C[C@@H](C)CN1Cn1nccc1[N+](=O)[O-] ZINC000744442073 585150404 /nfs/dbraw/zinc/15/04/04/585150404.db2.gz WHIZIGNYDZSCJH-NXEZZACHSA-N 0 1 238.291 1.869 20 5 BDBDMN C[C@H](c1cccnc1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839548176 585330352 /nfs/dbraw/zinc/33/03/52/585330352.db2.gz NKYSIYYPFAXLSE-FBIMIBRVSA-N 0 1 249.270 1.266 20 5 BDBDMN C[C@@H]1CCC[C@@H](C)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839690222 585335138 /nfs/dbraw/zinc/33/51/38/585335138.db2.gz IJJKSHZBWLHFTF-GWOFURMSSA-N 0 1 240.303 1.689 20 5 BDBDMN CC[C@@H](C)C[C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839692597 585335614 /nfs/dbraw/zinc/33/56/14/585335614.db2.gz PFLKXUHBSFGRNX-ZYUZMQFOSA-N 0 1 228.292 1.593 20 5 BDBDMN C[C@]1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCS1 ZINC000839701010 585335938 /nfs/dbraw/zinc/33/59/38/585335938.db2.gz IZKGZZDRWWJQNA-NQMVMOMDSA-N 0 1 244.316 1.054 20 5 BDBDMN C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H](C)C1 ZINC000839681479 585337105 /nfs/dbraw/zinc/33/71/05/585337105.db2.gz QOJFMWAJENMSCY-RCZSTQMZSA-N 0 1 240.303 1.593 20 5 BDBDMN CC1(C)CCC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839735171 585337608 /nfs/dbraw/zinc/33/76/08/585337608.db2.gz XQAGQLLPGPSGIH-OPRDCNLKSA-N 0 1 240.303 1.737 20 5 BDBDMN C[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1(C)C ZINC000839725269 585338776 /nfs/dbraw/zinc/33/87/76/585338776.db2.gz HOZVUVVCLZVYRK-IVZWLZJFSA-N 0 1 240.303 1.546 20 5 BDBDMN CC(C)(C)C(C)(C)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839778423 585341498 /nfs/dbraw/zinc/34/14/98/585341498.db2.gz DKGSIJXGXQMQEC-RKDXNWHRSA-N 0 1 242.319 1.840 20 5 BDBDMN CC[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839778940 585341513 /nfs/dbraw/zinc/34/15/13/585341513.db2.gz LPJQCMLDYKYXAP-GWOFURMSSA-N 0 1 240.303 1.737 20 5 BDBDMN Cc1csc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839782152 585341715 /nfs/dbraw/zinc/34/17/15/585341715.db2.gz DRJVAZYZJFENFA-RKDXNWHRSA-N 0 1 240.284 1.338 20 5 BDBDMN C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CCN1C ZINC000761076214 585406367 /nfs/dbraw/zinc/40/63/67/585406367.db2.gz JMCOGTGSIJXBAH-LLVKDONJSA-N 0 1 249.314 1.731 20 5 BDBDMN O=C(NOc1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000774273613 585655635 /nfs/dbraw/zinc/65/56/35/585655635.db2.gz FHVQSOWUIAERSV-UHFFFAOYSA-N 0 1 248.198 1.042 20 5 BDBDMN O=[N+]([O-])c1ccc([C@@H](O)CN2CC=CCC2)cc1 ZINC000778968341 585743086 /nfs/dbraw/zinc/74/30/86/585743086.db2.gz ZEMFQEBQHPFLQA-ZDUSSCGKSA-N 0 1 248.282 1.890 20 5 BDBDMN CC(C)(F)COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000785937006 585884229 /nfs/dbraw/zinc/88/42/29/585884229.db2.gz VOHSQMAICBYJJA-UHFFFAOYSA-N 0 1 230.195 1.828 20 5 BDBDMN CCO[C@H]1C[C@H](N(C)CC[N+](=O)[O-])C1(C)C ZINC000798197734 586140311 /nfs/dbraw/zinc/14/03/11/586140311.db2.gz UMNACTBUKNWHLW-UWVGGRQHSA-N 0 1 230.308 1.399 20 5 BDBDMN CCO[C@@H]1C[C@@H](N(C)CC[N+](=O)[O-])C1(C)C ZINC000798197733 586140374 /nfs/dbraw/zinc/14/03/74/586140374.db2.gz UMNACTBUKNWHLW-NXEZZACHSA-N 0 1 230.308 1.399 20 5 BDBDMN CC[C@@H](C(=O)O[C@H](C)C[N+](=O)[O-])N(CC)CC ZINC000814039341 586612336 /nfs/dbraw/zinc/61/23/36/586612336.db2.gz NWPNNHFZBXCFDM-ZJUUUORDSA-N 0 1 246.307 1.315 20 5 BDBDMN Cc1cc(F)ccc1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840403033 587043140 /nfs/dbraw/zinc/04/31/40/587043140.db2.gz BQSJBGLCKFYFQJ-RKDXNWHRSA-N 0 1 239.202 1.705 20 5 BDBDMN CC(C)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837337620 587867559 /nfs/dbraw/zinc/86/75/59/587867559.db2.gz RANDCGVXJOJZPG-UHFFFAOYSA-N 0 1 239.227 2.000 20 5 BDBDMN O=C(OCCC1CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000840671531 587915601 /nfs/dbraw/zinc/91/56/01/587915601.db2.gz WODHIZPXVFHZPV-NXEZZACHSA-N 0 1 227.260 1.775 20 5 BDBDMN O=C(Oc1ccc2c(c1)CCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000841006585 587934627 /nfs/dbraw/zinc/93/46/27/587934627.db2.gz GHENBXFSIOFALW-VXGBXAGGSA-N 0 1 247.250 1.746 20 5 BDBDMN C[C@@H]1CCC(C)(C)N1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841253226 587950248 /nfs/dbraw/zinc/95/02/48/587950248.db2.gz NQDLUDQDCMHKHB-IWSPIJDZSA-N 0 1 226.276 1.441 20 5 BDBDMN O=C(OC1(C2CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000842313796 588016315 /nfs/dbraw/zinc/01/63/15/588016315.db2.gz QEYZZFIDTFUWLN-HTQZYQBOSA-N 0 1 211.217 1.137 20 5 BDBDMN Cc1ccc(COC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC000842324223 588017704 /nfs/dbraw/zinc/01/77/04/588017704.db2.gz DCNJOZHIDCYGOG-NXEZZACHSA-N 0 1 236.227 1.098 20 5 BDBDMN CCC[C@@H](C)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842344485 588019960 /nfs/dbraw/zinc/01/99/60/588019960.db2.gz QAJHPDSTLNELCP-IWSPIJDZSA-N 0 1 215.249 1.631 20 5 BDBDMN CC1(C)C[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000842343508 588020344 /nfs/dbraw/zinc/02/03/44/588020344.db2.gz OKAYQTLHLWDSLP-DJLDLDEBSA-N 0 1 243.259 1.152 20 5 BDBDMN O=C(OC[C@@H]1CCCSC1)[C@@H]1CC1[N+](=O)[O-] ZINC000842360799 588021105 /nfs/dbraw/zinc/02/11/05/588021105.db2.gz KEQHEKKQQHUEBX-DJLDLDEBSA-N 0 1 245.300 1.338 20 5 BDBDMN CC(C)O[C@H]1C[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000842376526 588022484 /nfs/dbraw/zinc/02/24/84/588022484.db2.gz PCZQKLGBJPZQSV-UTINFBMNSA-N 0 1 243.259 1.151 20 5 BDBDMN O=C(OCCC[N+](=O)[O-])c1ccc2cncn2c1 ZINC000860918509 589131765 /nfs/dbraw/zinc/13/17/65/589131765.db2.gz KOXDIAVJBKUQHI-UHFFFAOYSA-N 0 1 249.226 1.158 20 5 BDBDMN O=C(NCC[C@H]1CCCS1)[C@@H]1CC1[N+](=O)[O-] ZINC000871038265 589717567 /nfs/dbraw/zinc/71/75/67/589717567.db2.gz IWGOCZWSPASEBA-IWSPIJDZSA-N 0 1 244.316 1.054 20 5 BDBDMN O=[N+]([O-])c1ccnn1CN1C[C@@H]2CC=CC[C@@H]2C1 ZINC000872712536 589964033 /nfs/dbraw/zinc/96/40/33/589964033.db2.gz RLSYEWBBTDFZLD-PHIMTYICSA-N 0 1 248.286 1.647 20 5 BDBDMN Cc1nc(CNc2sccc2[N+](=O)[O-])n[nH]1 ZINC000309845145 633833204 /nfs/dbraw/zinc/83/32/04/633833204.db2.gz GDBISWZNNIZNCP-UHFFFAOYSA-N 0 1 239.260 1.695 20 5 BDBDMN CN(C)c1ccc(CNCC[N+](=O)[O-])cc1 ZINC000905023352 637571025 /nfs/dbraw/zinc/57/10/25/637571025.db2.gz HKVAJDSKCCELBD-UHFFFAOYSA-N 0 1 223.276 1.119 20 5 BDBDMN C[C@H]1Cc2ccccc2N1CCNCC[N+](=O)[O-] ZINC000905069400 637602160 /nfs/dbraw/zinc/60/21/60/637602160.db2.gz CNJKHCJDLVVORZ-NSHDSACASA-N 0 1 249.314 1.304 20 5 BDBDMN O=[N+]([O-])CCNCCOC1CCCCCC1 ZINC000905128343 637641559 /nfs/dbraw/zinc/64/15/59/637641559.db2.gz RCSLRWZGYUVCMC-UHFFFAOYSA-N 0 1 230.308 1.592 20 5 BDBDMN Cc1ccccc1O[C@@H](C)CNCC[N+](=O)[O-] ZINC000905136477 637647349 /nfs/dbraw/zinc/64/73/49/637647349.db2.gz KYCIAETVTFVIDH-NSHDSACASA-N 0 1 238.287 1.629 20 5 BDBDMN Cc1cccc2c1C[C@@H](NCC[N+](=O)[O-])CO2 ZINC000905388207 637786508 /nfs/dbraw/zinc/78/65/08/637786508.db2.gz CBZXPHLPPKEIKT-SNVBAGLBSA-N 0 1 236.271 1.165 20 5 BDBDMN O=[N+]([O-])CCN1CCC[C@H](c2ccncc2)C1 ZINC000930477841 639774988 /nfs/dbraw/zinc/77/49/88/639774988.db2.gz MYIYWIQFJTVFNE-LBPRGKRZSA-N 0 1 235.287 1.538 20 5 BDBDMN O=[N+]([O-])CCN1CCC(OC2CCC2)CC1 ZINC000930744260 639892050 /nfs/dbraw/zinc/89/20/50/639892050.db2.gz YWLFXIFZYHJPGP-UHFFFAOYSA-N 0 1 228.292 1.297 20 5 BDBDMN CCN(CCc1cccs1)CC[N+](=O)[O-] ZINC000929409776 641115692 /nfs/dbraw/zinc/11/56/92/641115692.db2.gz CKHSBEGPCXIVMX-UHFFFAOYSA-N 0 1 228.317 1.889 20 5 BDBDMN C[C@H](CO)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443414 641149991 /nfs/dbraw/zinc/14/99/91/641149991.db2.gz NQIWLMRGBOLHNY-SSDOTTSWSA-N 0 1 244.678 1.719 20 5 BDBDMN Cc1nc(C)c(Cn2ccc(=O)c([N+](=O)[O-])c2)[nH]1 ZINC000917109617 642011927 /nfs/dbraw/zinc/01/19/27/642011927.db2.gz HYVGMYCJMWXXJT-UHFFFAOYSA-N 0 1 248.242 1.145 20 5 BDBDMN CC(C)OCCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000919668613 642367857 /nfs/dbraw/zinc/36/78/57/642367857.db2.gz OPLDGGFOFZXOPJ-UHFFFAOYSA-N 0 1 242.231 1.505 20 5 BDBDMN CC(C)[C@@H]1CCCN1Cn1nccc1[N+](=O)[O-] ZINC000920484118 642508811 /nfs/dbraw/zinc/50/88/11/642508811.db2.gz CDUKWFBLAHYZSZ-JTQLQIEISA-N 0 1 238.291 1.869 20 5 BDBDMN C[C@H]1[C@@H](C)N(Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000841689306 645224317 /nfs/dbraw/zinc/22/43/17/645224317.db2.gz IZPBMHDKBQAXRJ-OPRDCNLKSA-N 0 1 238.291 1.725 20 5 BDBDMN CCn1ncc(Nc2ncc([N+](=O)[O-])cn2)c1C ZINC000872779230 645769634 /nfs/dbraw/zinc/76/96/34/645769634.db2.gz OXGRKCGAYOSEKW-UHFFFAOYSA-N 0 1 248.246 1.653 20 5 BDBDMN CCOC[C@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000929644965 646219027 /nfs/dbraw/zinc/21/90/27/646219027.db2.gz YUOMSPCSYRZKMI-JTQLQIEISA-N 0 1 216.281 1.012 20 5 BDBDMN C[C@@H]1CN(CC[N+](=O)[O-])C[C@@H](C)S1 ZINC000929724894 646274854 /nfs/dbraw/zinc/27/48/54/646274854.db2.gz FECSODQFASXJST-HTQZYQBOSA-N 0 1 204.295 1.089 20 5 BDBDMN COCC1(C)CCN(CC[N+](=O)[O-])CC1 ZINC000930179037 646480685 /nfs/dbraw/zinc/48/06/85/646480685.db2.gz GHAIUDJOCAEJTL-UHFFFAOYSA-N 0 1 216.281 1.012 20 5 BDBDMN CC[C@@H](CO)NCc1cc(F)ccc1[N+](=O)[O-] ZINC000035603926 712222706 /nfs/dbraw/zinc/22/27/06/712222706.db2.gz IVNHYIIKVKETDJ-JTQLQIEISA-N 0 1 242.250 1.594 20 5 BDBDMN Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCN1C ZINC000712618203 712438802 /nfs/dbraw/zinc/43/88/02/712438802.db2.gz VMJBLKDDPBKTKC-SECBINFHSA-N 0 1 236.275 1.414 20 5 BDBDMN O=[N+]([O-])C[C@@H]1CC[C@H](NCc2cocn2)C1 ZINC001168975639 969324403 /nfs/dbraw/zinc/32/44/03/969324403.db2.gz WQKILRDTBFRMLL-BDAKNGLRSA-N 0 1 225.248 1.210 20 5 BDBDMN O=[N+]([O-])c1ccc([O-])c(O[C@H]2CCC[NH2+]C2)c1 ZINC001218283172 959941414 /nfs/dbraw/zinc/94/14/14/959941414.db2.gz GHFRYUGMQMQRBV-VIFPVBQESA-N 0 1 238.243 1.431 20 5 BDBDMN O=[N+]([O-])c1ccc(Nc2ccncc2)cn1 ZINC001203561452 966688221 /nfs/dbraw/zinc/68/82/21/966688221.db2.gz XHMQDQNKINUQMY-UHFFFAOYSA-N 0 1 216.200 1.550 20 5 BDBDMN Cc1cnc(CN)n1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168979184 969298917 /nfs/dbraw/zinc/29/89/17/969298917.db2.gz WZCQWXUHUJFNPO-ZJUUUORDSA-N 0 1 238.291 1.268 20 5 BDBDMN C[C@H]1CC(=O)CCN1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038550 969357648 /nfs/dbraw/zinc/35/76/48/969357648.db2.gz ZKNAVUONWRUHHP-HBNTYKKESA-N 0 1 240.303 1.485 20 5 BDBDMN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCOCC23CC3)C1 ZINC001169040057 969357866 /nfs/dbraw/zinc/35/78/66/969357866.db2.gz XHCYDSOFLSBIBC-WDEREUQCSA-N 0 1 240.303 1.297 20 5 BDBDMN Cn1cc(Nc2ccc(F)cc2[N+](=O)[O-])nn1 ZINC001210952472 970089693 /nfs/dbraw/zinc/08/96/93/970089693.db2.gz KBXZWYRHIYXZPE-UHFFFAOYSA-N 0 1 237.194 1.606 20 5 BDBDMN Cc1ccc(Nc2cnn(C)n2)c([N+](=O)[O-])c1 ZINC001214167825 970444988 /nfs/dbraw/zinc/44/49/88/970444988.db2.gz VMVCUKPGMSSAEL-UHFFFAOYSA-N 0 1 233.231 1.775 20 5 BDBDMN O=[N+]([O-])C[C@H](OCc1cnc[nH]1)c1cccnc1 ZINC001223000500 972793010 /nfs/dbraw/zinc/79/30/10/972793010.db2.gz OMBDAXRBUUXFAB-NSHDSACASA-N 0 1 248.242 1.339 20 5 BDBDMN CCCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001328617465 973200264 /nfs/dbraw/zinc/20/02/64/973200264.db2.gz XMJDORFOIKTGBT-GHMZBOCLSA-N 0 1 240.303 1.690 20 5 BDBDMN C[C@@H]1OCC[C@H]1c1nnc([C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001329342769 973694629 /nfs/dbraw/zinc/69/46/29/973694629.db2.gz FVLZIXZHSNOELS-LXGUWJNJSA-N 0 1 239.231 1.095 20 5 BDBDMN CC(=O)[C@@H](C)Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225492617 974528556 /nfs/dbraw/zinc/52/85/56/974528556.db2.gz YFNVIJSLHDJJPG-SSDOTTSWSA-N 0 1 225.200 1.657 20 5 BDBDMN O=[N+]([O-])c1cccnc1O[C@H]1CN2CCC1CC2 ZINC001225593004 974580278 /nfs/dbraw/zinc/58/02/78/974580278.db2.gz KDDCVEWAVWJQPW-NSHDSACASA-N 0 1 249.270 1.463 20 5 BDBDMN Cc1cc(O[C@H]2CC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC001225657890 974629018 /nfs/dbraw/zinc/62/90/18/974629018.db2.gz SRHZTGQTCWODDL-VIFPVBQESA-N 0 1 237.259 1.381 20 5 BDBDMN Cc1ccncc1[C@H](C)NCC[N+](=O)[O-] ZINC001332835630 975291538 /nfs/dbraw/zinc/29/15/38/975291538.db2.gz PQMXIYWSKSOPFM-VIFPVBQESA-N 0 1 209.249 1.317 20 5 BDBDMN CCN1CC[C@@H](Oc2cnccc2[N+](=O)[O-])C1 ZINC001228880022 976548268 /nfs/dbraw/zinc/54/82/68/976548268.db2.gz PEWPLCCKVJXZSL-SECBINFHSA-N 0 1 237.259 1.463 20 5 BDBDMN Cc1nc(O[C@H](C)C(C)C)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229378346 976851820 /nfs/dbraw/zinc/85/18/20/976851820.db2.gz KHLINQGMIHKOJE-ZCFIWIBFSA-N 0 1 241.247 1.822 20 5 BDBDMN Cc1cc(O)c([N+](=O)[O-])c(OC2CC(=O)C2)n1 ZINC001231264817 977547987 /nfs/dbraw/zinc/54/79/87/977547987.db2.gz VDWXBDFRNHGJIB-UHFFFAOYSA-N 0 1 238.199 1.114 20 5 BDBDMN C[C@H](CC(F)(F)F)NCC[N+](=O)[O-] ZINC001353309596 982832851 /nfs/dbraw/zinc/83/28/51/982832851.db2.gz GQXSMRXMVANEKO-RXMQYKEDSA-N 0 1 200.160 1.194 20 5 BDBDMN O=[N+]([O-])c1ccc(NC[C@@H](O)c2cnc[nH]2)cc1 ZINC001458592829 985338300 /nfs/dbraw/zinc/33/83/00/985338300.db2.gz QNTGOFMPUWAUOC-LLVKDONJSA-N 0 1 248.242 1.463 20 5 BDBDMN C=C/C=C\CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001303176518 995140589 /nfs/dbraw/zinc/14/05/89/995140589.db2.gz MQSOZRHQGHGHBY-ARJAWSKDSA-N 0 1 236.231 1.180 20 5 BDBDMN Cc1cc(NCc2nnc[nH]2)ccc1[N+](=O)[O-] ZINC000037920164 178177459 /nfs/dbraw/zinc/17/74/59/178177459.db2.gz LUKDKCSMQNBKFB-UHFFFAOYSA-N 0 1 233.231 1.633 20 5 BDBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2C[C@]2(O)C1 ZINC000603095934 344435396 /nfs/dbraw/zinc/43/53/96/344435396.db2.gz YQIJZSWAVKAQGI-CDMKHQONSA-N 0 1 248.282 1.722 20 5 BDBDMN C[C@@H]1[C@H](O)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000590761988 347526470 /nfs/dbraw/zinc/52/64/70/347526470.db2.gz XLZZWVWXHWQAIV-BXKDBHETSA-N 0 1 236.271 1.550 20 5 BDBDMN Cc1noc(CSc2c[nH]nn2)c1[N+](=O)[O-] ZINC000596020541 348423534 /nfs/dbraw/zinc/42/35/34/348423534.db2.gz GGSPPUSJZMFRLD-UHFFFAOYSA-N 0 1 241.232 1.302 20 5 BDBDMN CC1CC(CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000598778535 349041728 /nfs/dbraw/zinc/04/17/28/349041728.db2.gz SXYFLGPLGMBNEE-UHFFFAOYSA-N 0 1 238.247 1.094 20 5 BDBDMN O=C1[C@H]2CCCC2=NN1c1ccc([N+](=O)[O-])cn1 ZINC000601933705 349387378 /nfs/dbraw/zinc/38/73/78/349387378.db2.gz RVZNPLHFZDHSRG-QMMMGPOBSA-N 0 1 246.226 1.493 20 5 BDBDMN C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC(=O)[O-] ZINC000086725836 352546816 /nfs/dbraw/zinc/54/68/16/352546816.db2.gz UCWVHTAMOAOXKD-QMMMGPOBSA-N 0 1 238.243 1.672 20 5 BDBDMN O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H](O)C1 ZINC000349802608 370505952 /nfs/dbraw/zinc/50/59/52/370505952.db2.gz VOYXZLJJQZSHPZ-KTLBGCOUSA-N 0 1 248.282 1.675 20 5 BDBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@@H](O)C1 ZINC000349802608 370505956 /nfs/dbraw/zinc/50/59/56/370505956.db2.gz VOYXZLJJQZSHPZ-KTLBGCOUSA-N 0 1 248.282 1.675 20 5 BDBDMN CN(CCO)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037899263 371290211 /nfs/dbraw/zinc/29/02/11/371290211.db2.gz HPMJBVMXQJBRDT-UHFFFAOYSA-N 0 1 244.678 1.672 20 5 BDBDMN CC[C@H](C)N(C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602439694 371803659 /nfs/dbraw/zinc/80/36/59/371803659.db2.gz LCBYDOABRZYFST-QMMMGPOBSA-N 0 1 226.280 1.559 20 5 BDBDMN CCC[C@@H](C)N(C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602440627 371806668 /nfs/dbraw/zinc/80/66/68/371806668.db2.gz QPUGUUSGDXKUJC-SECBINFHSA-N 0 1 240.307 1.949 20 5 BDBDMN C[C@@H]1CC[C@@H](C)N1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602788421 371840504 /nfs/dbraw/zinc/84/05/04/371840504.db2.gz PIFAEHYUNYIBGB-RKDXNWHRSA-N 0 1 238.291 1.701 20 5 BDBDMN O=C(NC1CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000158853642 182114736 /nfs/dbraw/zinc/11/47/36/182114736.db2.gz ONISEHZZSZZYJG-UHFFFAOYSA-N 0 1 238.247 1.380 20 5 BDBDMN O=[N+]([O-])c1cccc(CN2CCC[C@@H]2CO)c1 ZINC000050113928 383911533 /nfs/dbraw/zinc/91/15/33/383911533.db2.gz KWXQVRVJFDDMAX-GFCCVEGCSA-N 0 1 236.271 1.552 20 5 BDBDMN CCO[C@H]1C[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000572823838 384170715 /nfs/dbraw/zinc/17/07/15/384170715.db2.gz ZVYDHRROFSCLBG-PWSUYJOCSA-N 0 1 236.271 1.862 20 5 BDBDMN Cc1nc(CCNc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000267530428 386933033 /nfs/dbraw/zinc/93/30/33/386933033.db2.gz VKHNYICJLXRVRI-UHFFFAOYSA-N 0 1 247.258 1.676 20 5 BDBDMN Cc1nnc(CCNc2ccccc2[N+](=O)[O-])[nH]1 ZINC000267530428 386933037 /nfs/dbraw/zinc/93/30/37/386933037.db2.gz VKHNYICJLXRVRI-UHFFFAOYSA-N 0 1 247.258 1.676 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC2(CCC2)C1 ZINC000369617236 387228580 /nfs/dbraw/zinc/22/85/80/387228580.db2.gz ZDCKHHPVVXCJNU-ZJUUUORDSA-N 0 1 238.287 1.444 20 5 BDBDMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000054070408 388023432 /nfs/dbraw/zinc/02/34/32/388023432.db2.gz QREBIJNFBCOKFP-QMMMGPOBSA-N 0 1 238.243 1.500 20 5 BDBDMN C[C@H](N[C@H]1CCNC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000296824075 388034824 /nfs/dbraw/zinc/03/48/24/388034824.db2.gz VVSIVIFIMDDGQF-KWQFWETISA-N 0 1 249.270 1.134 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCCC2 ZINC000372370289 388258555 /nfs/dbraw/zinc/25/85/55/388258555.db2.gz XRFKKMAHTKIDCU-BDAKNGLRSA-N 0 1 224.260 1.054 20 5 BDBDMN CO[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000353840897 388373907 /nfs/dbraw/zinc/37/39/07/388373907.db2.gz CPBCIFPJYSDKCC-GFCCVEGCSA-N 0 1 236.271 1.816 20 5 BDBDMN CC[C@H](C)[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000119179176 171388362 /nfs/dbraw/zinc/38/83/62/171388362.db2.gz MEBFKOFPJVVIQX-BQBZGAKWSA-N 0 1 240.263 1.482 20 5 BDBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)[O-] ZINC000106036013 176019480 /nfs/dbraw/zinc/01/94/80/176019480.db2.gz KLJWHTSWOQVADH-QMMMGPOBSA-N 0 1 238.243 1.672 20 5 BDBDMN O=C(N[C@@H]1CCCC[C@@H]1F)[C@@H]1CC1[N+](=O)[O-] ZINC001332169067 974989159 /nfs/dbraw/zinc/98/91/59/974989159.db2.gz GIFCCBRCVVVHKJ-BZNPZCIMSA-N 0 1 230.239 1.049 20 5 BDBDMN COC1(COC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC000840673549 583424236 /nfs/dbraw/zinc/42/42/36/583424236.db2.gz SCLADUFBMQZJLJ-RKDXNWHRSA-N 0 1 243.259 1.154 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N(CC(F)F)C1CCC1 ZINC000895139985 583602853 /nfs/dbraw/zinc/60/28/53/583602853.db2.gz LCFJMQNPQIRMDY-HTQZYQBOSA-N 0 1 248.229 1.298 20 5 BDBDMN CC1=NO[C@@H](CNCc2cccc([N+](=O)[O-])c2)C1 ZINC000895312585 583648736 /nfs/dbraw/zinc/64/87/36/583648736.db2.gz YWGIIYRGWZINOU-GFCCVEGCSA-N 0 1 249.270 1.849 20 5 BDBDMN O=[N+]([O-])CCNCCSc1ccccc1 ZINC000899861830 584242485 /nfs/dbraw/zinc/24/24/85/584242485.db2.gz ZNTZACFGRCVORP-UHFFFAOYSA-N 0 1 226.301 1.645 20 5 BDBDMN C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CCN1C ZINC000761076104 584908872 /nfs/dbraw/zinc/90/88/72/584908872.db2.gz HWNSWHRWBVPBLQ-NSHDSACASA-N 0 1 249.314 1.731 20 5 BDBDMN C[C@H]1C[C@H](C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839462461 585103414 /nfs/dbraw/zinc/10/34/14/585103414.db2.gz NFNJGVAYKUVPEG-AXTSPUMRSA-N 0 1 226.276 1.156 20 5 BDBDMN CC[C@@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839487944 585105055 /nfs/dbraw/zinc/10/50/55/585105055.db2.gz XSPANCRVFNVQLD-OPRDCNLKSA-N 0 1 226.276 1.443 20 5 BDBDMN C[C@H]1CCC[C@H](C)C1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839696352 585335461 /nfs/dbraw/zinc/33/54/61/585335461.db2.gz KDGNVUGTRWIXIV-AXTSPUMRSA-N 0 1 240.303 1.593 20 5 BDBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCC1 ZINC000839682922 585337047 /nfs/dbraw/zinc/33/70/47/585337047.db2.gz BZWOQENMLSSQMF-FXBDTBDDSA-N 0 1 226.276 1.347 20 5 BDBDMN C[C@H]1CCC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839735257 585337317 /nfs/dbraw/zinc/33/73/17/585337317.db2.gz ZNRDSQJNWNFYCL-UKKRHICBSA-N 0 1 240.303 1.737 20 5 BDBDMN C[C@H]1CCC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839735256 585337534 /nfs/dbraw/zinc/33/75/34/585337534.db2.gz ZNRDSQJNWNFYCL-LNFKQOIKSA-N 0 1 240.303 1.737 20 5 BDBDMN CC(C)C[C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839711614 585338096 /nfs/dbraw/zinc/33/80/96/585338096.db2.gz YAWUZGZKMXFSGQ-IWSPIJDZSA-N 0 1 214.265 1.202 20 5 BDBDMN C[C@@]1(F)CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839777339 585341426 /nfs/dbraw/zinc/34/14/26/585341426.db2.gz AXHIONJHFPGAPC-NQMVMOMDSA-N 0 1 230.239 1.002 20 5 BDBDMN CC(C)(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000839780273 585341613 /nfs/dbraw/zinc/34/16/13/585341613.db2.gz RLWJCGYDZVWQAG-NXEZZACHSA-N 0 1 240.303 1.594 20 5 BDBDMN CC(C)[C@@H]1C[C@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839785717 585341862 /nfs/dbraw/zinc/34/18/62/585341862.db2.gz KZOXCCZQDLRPOM-AXTSPUMRSA-N 0 1 226.276 1.060 20 5 BDBDMN CC[C@H]1CCC[C@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839783496 585341984 /nfs/dbraw/zinc/34/19/84/585341984.db2.gz ILUNKNFRFLWYQI-UKKRHICBSA-N 0 1 240.303 1.594 20 5 BDBDMN C[C@@H]1CCCC[C@@]1(C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840475082 587193537 /nfs/dbraw/zinc/19/35/37/587193537.db2.gz SMTKFRGOYUCMSW-DNRKLUKYSA-N 0 1 240.303 1.737 20 5 BDBDMN O=C(OC[C@H](F)C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000840673594 587915255 /nfs/dbraw/zinc/91/52/55/587915255.db2.gz ULPAHMPDRKMFKG-WDCZJNDASA-N 0 1 245.128 1.095 20 5 BDBDMN O=C(Oc1cc(F)cc(F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000841094488 587946235 /nfs/dbraw/zinc/94/62/35/587946235.db2.gz QYOBDYLNWDMCJV-RKDXNWHRSA-N 0 1 243.165 1.535 20 5 BDBDMN COC1CCC(OC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000842319413 588017172 /nfs/dbraw/zinc/01/71/72/588017172.db2.gz PYTKFZNWNVDESA-YDYPAMBWSA-N 0 1 243.259 1.152 20 5 BDBDMN CC(C)[C@@H]1C[C@H]1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842335827 588019404 /nfs/dbraw/zinc/01/94/04/588019404.db2.gz GMHSOCUDSMCFPD-AXTSPUMRSA-N 0 1 227.260 1.487 20 5 BDBDMN CC[C@@H](C(=O)OCCC[N+](=O)[O-])N(CC)CC ZINC000860921893 589132896 /nfs/dbraw/zinc/13/28/96/589132896.db2.gz ZQLVIOJAXUTFMP-JTQLQIEISA-N 0 1 246.307 1.317 20 5 BDBDMN CC(C)(C)[C@@H]1C[C@H]1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000861107561 589146838 /nfs/dbraw/zinc/14/68/38/589146838.db2.gz BVEZJHPSHYARMI-SGIHWFKDSA-N 0 1 241.287 1.877 20 5 BDBDMN CO[C@H]1CCN(CC[N+](=O)[O-])CC1(C)C ZINC000930643293 633973694 /nfs/dbraw/zinc/97/36/94/633973694.db2.gz UICFLVKPHIGHKZ-VIFPVBQESA-N 0 1 216.281 1.010 20 5 BDBDMN CCc1nc(CCNCC[N+](=O)[O-])cs1 ZINC000905083049 637581435 /nfs/dbraw/zinc/58/14/35/637581435.db2.gz OYFLEWKRJQISJS-UHFFFAOYSA-N 0 1 229.305 1.114 20 5 BDBDMN O=[N+]([O-])CCN[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000905071698 637603496 /nfs/dbraw/zinc/60/34/96/637603496.db2.gz PRCBGEIBZIQYFB-WDEREUQCSA-N 0 1 224.235 1.548 20 5 BDBDMN O=[N+]([O-])CCNC/C=C\c1ccccc1 ZINC000905112031 637619017 /nfs/dbraw/zinc/61/90/17/637619017.db2.gz XMZXFDSQDGUTKJ-DAXSKMNVSA-N 0 1 206.245 1.566 20 5 BDBDMN CCN(C)c1ccccc1CNCC[N+](=O)[O-] ZINC000905093692 637632204 /nfs/dbraw/zinc/63/22/04/637632204.db2.gz BFQUFLVMBGWCLQ-UHFFFAOYSA-N 0 1 237.303 1.509 20 5 BDBDMN Cc1ccc(O[C@H](C)CNCC[N+](=O)[O-])cc1 ZINC000905140553 637649667 /nfs/dbraw/zinc/64/96/67/637649667.db2.gz WMULRUXRIFGYRN-LLVKDONJSA-N 0 1 238.287 1.629 20 5 BDBDMN COc1cccc2c1CC[C@H]2NCC[N+](=O)[O-] ZINC000905167885 637680230 /nfs/dbraw/zinc/68/02/30/637680230.db2.gz LKKJRXVDMQHMGY-LLVKDONJSA-N 0 1 236.271 1.549 20 5 BDBDMN CO[C@H](CNCC[N+](=O)[O-])Cc1ccccc1 ZINC000905271357 637729966 /nfs/dbraw/zinc/72/99/66/637729966.db2.gz BLIUADKUOADZKV-LBPRGKRZSA-N 0 1 238.287 1.110 20 5 BDBDMN CCC(C)(C)OCCNCC[N+](=O)[O-] ZINC000905285589 637737442 /nfs/dbraw/zinc/73/74/42/637737442.db2.gz UNZACUBYOYRRBF-UHFFFAOYSA-N 0 1 204.270 1.058 20 5 BDBDMN O=[N+]([O-])CCN1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000930714335 639875497 /nfs/dbraw/zinc/87/54/97/639875497.db2.gz DENPJCLBBWVANX-NWDGAFQWSA-N 0 1 236.271 1.071 20 5 BDBDMN CC(C)O[C@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000930850836 639945705 /nfs/dbraw/zinc/94/57/05/639945705.db2.gz WOSRYXROGILKOR-JTQLQIEISA-N 0 1 216.281 1.153 20 5 BDBDMN C[C@@H](N[C@@H](C)C(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000035792389 639946278 /nfs/dbraw/zinc/94/62/78/639946278.db2.gz PGSAGHXPDZKDFA-SFYZADRCSA-N 0 1 237.259 1.119 20 5 BDBDMN C[C@H]1COC[C@@H]1NCc1cccnc1[N+](=O)[O-] ZINC000932489770 640554066 /nfs/dbraw/zinc/55/40/66/640554066.db2.gz SEBMWZZIQQVCGO-WPRPVWTQSA-N 0 1 237.259 1.114 20 5 BDBDMN Cc1cn[nH]c1Cn1cc([N+](=O)[O-])cc(C)c1=O ZINC000917321684 642041835 /nfs/dbraw/zinc/04/18/35/642041835.db2.gz QNWPATBDZUNYAJ-UHFFFAOYSA-N 0 1 248.242 1.145 20 5 BDBDMN CC[C@H](C)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000920127023 642439465 /nfs/dbraw/zinc/43/94/65/642439465.db2.gz VPROTKKLGRNCPB-LURJTMIESA-N 0 1 212.205 1.878 20 5 BDBDMN O=C(NCC[C@@H]1CC[C@@H]2C[C@@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC000927478907 645621621 /nfs/dbraw/zinc/62/16/21/645621621.db2.gz JDERTSPTXGDOKN-VPJKUYQRSA-N 0 1 238.287 1.204 20 5 BDBDMN CC(C)OC1CCN(CC[N+](=O)[O-])CC1 ZINC000929600051 646192565 /nfs/dbraw/zinc/19/25/65/646192565.db2.gz LEFGRDCETNGCHC-UHFFFAOYSA-N 0 1 216.281 1.153 20 5 BDBDMN C[C@H]1CN(CC[N+](=O)[O-])C[C@H](C)S1 ZINC000929724896 646273279 /nfs/dbraw/zinc/27/32/79/646273279.db2.gz FECSODQFASXJST-YUMQZZPRSA-N 0 1 204.295 1.089 20 5 BDBDMN CC(C)OCCCN(C)CC[N+](=O)[O-] ZINC000929694465 646249632 /nfs/dbraw/zinc/24/96/32/646249632.db2.gz IPEZLWOVIYDKRP-UHFFFAOYSA-N 0 1 204.270 1.010 20 5 BDBDMN CC[C@H](C)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840670198 711766853 /nfs/dbraw/zinc/76/68/53/711766853.db2.gz OUZIGSUJBTYHQT-XLPZGREQSA-N 0 1 201.222 1.241 20 5 BDBDMN CN1CC[C@H]1CNc1ccccc1[N+](=O)[O-] ZINC000712597191 712435872 /nfs/dbraw/zinc/43/58/72/712435872.db2.gz WZOQMFMYHBNARM-VIFPVBQESA-N 0 1 221.260 1.711 20 5 BDBDMN CC1(C)CO[C@H](COC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000869538698 712623139 /nfs/dbraw/zinc/62/31/39/712623139.db2.gz PQMRXSGIFSCYRI-DJLDLDEBSA-N 0 1 243.259 1.010 20 5 BDBDMN CO[C@@H]1CN([C@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1F ZINC001169011069 969338398 /nfs/dbraw/zinc/33/83/98/969338398.db2.gz HZWFFJUTNIFJHC-XWLWVQCSSA-N 0 1 246.282 1.101 20 5 BDBDMN Nc1cncn1-c1cc(F)cc([N+](=O)[O-])c1 ZINC001216482700 971098485 /nfs/dbraw/zinc/09/84/85/971098485.db2.gz QQAYQBGECSYNBU-UHFFFAOYSA-N 0 1 222.179 1.502 20 5 BDBDMN O=[N+]([O-])c1ccc(O)cc1O[C@H]1C[C@H](O)C1 ZINC001218360936 971737360 /nfs/dbraw/zinc/73/73/60/971737360.db2.gz MQPVHFNOUUNKGQ-ZKCHVHJHSA-N 0 1 225.200 1.203 20 5 BDBDMN O=[N+]([O-])C[C@H](Oc1ccc2nc[nH]c2c1)C1CC1 ZINC001226928473 963406755 /nfs/dbraw/zinc/40/67/55/963406755.db2.gz LSHLSIANQAZQOM-LBPRGKRZSA-N 0 1 247.254 1.997 20 5 BDBDMN Cn1cc(Nc2ccccc2[N+](=O)[O-])nn1 ZINC001206150200 968086487 /nfs/dbraw/zinc/08/64/87/968086487.db2.gz IDWFECUGEXZVSX-UHFFFAOYSA-N 0 1 219.204 1.467 20 5 BDBDMN O=[N+]([O-])C[C@H]1CC[C@H](N2CCn3cccc3C2)C1 ZINC001169024349 969364668 /nfs/dbraw/zinc/36/46/68/969364668.db2.gz GMXMGZHUYHMCJO-RYUDHWBXSA-N 0 1 249.314 1.749 20 5 BDBDMN Cn1c[nH+]cc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210394187 969881752 /nfs/dbraw/zinc/88/17/52/969881752.db2.gz QZSZWQZVHHSGAD-UHFFFAOYSA-N 0 1 234.215 1.778 20 5 BDBDMN CN1CC(CNc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000401148358 970665924 /nfs/dbraw/zinc/66/59/24/970665924.db2.gz CWRWVCZCCBLVIU-UHFFFAOYSA-N 0 1 240.238 1.102 20 5 BDBDMN O=[N+]([O-])c1ccc(O)cc1OC1COCOC1 ZINC001225488199 974515746 /nfs/dbraw/zinc/51/57/46/974515746.db2.gz CIDHUKIUNYAPKO-UHFFFAOYSA-N 0 1 241.199 1.052 20 5 BDBDMN CN1CCC[C@H](Oc2ccc([N+](=O)[O-])cn2)C1 ZINC001225628055 974601461 /nfs/dbraw/zinc/60/14/61/974601461.db2.gz MJPRXDILEDGXQT-JTQLQIEISA-N 0 1 237.259 1.463 20 5 BDBDMN CN1CCC[C@@H](Oc2ccc([N+](=O)[O-])cn2)C1 ZINC001225628058 974601605 /nfs/dbraw/zinc/60/16/05/974601605.db2.gz MJPRXDILEDGXQT-SNVBAGLBSA-N 0 1 237.259 1.463 20 5 BDBDMN C[N@H+]1CC[C@@H](Oc2cccc([O-])c2[N+](=O)[O-])C1 ZINC001225621139 974601762 /nfs/dbraw/zinc/60/17/62/974601762.db2.gz CHOPSEQNYOPASW-MRVPVSSYSA-N 0 1 238.243 1.383 20 5 BDBDMN O=[N+]([O-])c1ccc(O[C@H]2CN3CCC2CC3)cn1 ZINC001226710881 975042476 /nfs/dbraw/zinc/04/24/76/975042476.db2.gz WYFRHQWDHRPUKX-NSHDSACASA-N 0 1 249.270 1.463 20 5 BDBDMN C[N@@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229398678 976863207 /nfs/dbraw/zinc/86/32/07/976863207.db2.gz YBKKXYRDLLDMJX-SECBINFHSA-N 0 1 238.243 1.383 20 5 BDBDMN C[N@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229398678 976863209 /nfs/dbraw/zinc/86/32/09/976863209.db2.gz YBKKXYRDLLDMJX-SECBINFHSA-N 0 1 238.243 1.383 20 5 BDBDMN O=C(OC[C@@]12C[C@@H]1CCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC001344313395 980365157 /nfs/dbraw/zinc/36/51/57/980365157.db2.gz XVQPSQHYMGWVSS-BTQIBKBOSA-N 0 1 239.271 1.775 20 5 BDBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccoc1 ZINC001350374916 981950996 /nfs/dbraw/zinc/95/09/96/981950996.db2.gz KZWJWVDDHYDCPP-FTLITQJKSA-N 0 1 225.200 1.549 20 5 BDBDMN CC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(F)(F)F ZINC001463523322 986549966 /nfs/dbraw/zinc/54/99/66/986549966.db2.gz HYNSCMZQYHBBCO-HSUXUTPPSA-N 0 1 240.181 1.109 20 5 BDBDMN Cc1ccc2c(c1)[C@H](NCC[N+](=O)[O-])CC2 ZINC001262559254 992913940 /nfs/dbraw/zinc/91/39/40/992913940.db2.gz GHOPITAQDAXPET-GFCCVEGCSA-N 0 1 220.272 1.849 20 5 BDBDMN CCC[C@@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001262646783 992995994 /nfs/dbraw/zinc/99/59/94/992995994.db2.gz LSJZHIMFPDOENZ-OPRDCNLKSA-N 0 1 226.276 1.443 20 5 BDBDMN CCC(CC)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159057329 168387099 /nfs/dbraw/zinc/38/70/99/168387099.db2.gz RTTQODARKPEGAS-UHFFFAOYSA-N 0 1 226.236 1.236 20 5 BDBDMN Cc1ccc([N+](=O)[O-])c(NCCc2nc[nH]n2)c1 ZINC000094659723 398296707 /nfs/dbraw/zinc/29/67/07/398296707.db2.gz OWCMNOZTBIRECP-UHFFFAOYSA-N 0 1 247.258 1.676 20 5 BDBDMN COC[C@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000037472321 342935815 /nfs/dbraw/zinc/93/58/15/342935815.db2.gz KDTVNKAXCMORCJ-ZETCQYMHSA-N 0 1 230.289 1.781 20 5 BDBDMN CC1(C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1C1CC1 ZINC000365689771 346922714 /nfs/dbraw/zinc/92/27/14/346922714.db2.gz RBKAAUMXSPNWPJ-BBBLOLIVSA-N 0 1 238.287 1.299 20 5 BDBDMN CN[C@H](C)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000310866884 343589043 /nfs/dbraw/zinc/58/90/43/343589043.db2.gz RRGXSKWWAZGYQJ-MRVPVSSYSA-N 0 1 247.258 1.456 20 5 BDBDMN O=[N+]([O-])c1cc(CNCCOCCF)cs1 ZINC000596057931 348435226 /nfs/dbraw/zinc/43/52/26/348435226.db2.gz YQMGTVNBNSILGB-UHFFFAOYSA-N 0 1 248.279 1.732 20 5 BDBDMN Cc1[nH]nc(C(=O)N(C)CC2CC2)c1[N+](=O)[O-] ZINC000064337189 368604393 /nfs/dbraw/zinc/60/43/93/368604393.db2.gz ISQJWEWBCAQJIO-UHFFFAOYSA-N 0 1 238.247 1.108 20 5 BDBDMN CC[C@@H]1CCCN1Cc1c([N+](=O)[O-])ncn1C ZINC000332644301 371359675 /nfs/dbraw/zinc/35/96/75/371359675.db2.gz BJICEPJVMPSENB-SECBINFHSA-N 0 1 238.291 1.703 20 5 BDBDMN CC1(NC/C=C\c2ccccc2[N+](=O)[O-])COC1 ZINC000602739111 371835608 /nfs/dbraw/zinc/83/56/08/371835608.db2.gz JGEXFCKGMZZDBR-XQRVVYSFSA-N 0 1 248.282 1.987 20 5 BDBDMN C[C@@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602449139 371806369 /nfs/dbraw/zinc/80/63/69/371806369.db2.gz NRUPSVZJMXPSHL-MRVPVSSYSA-N 0 1 224.264 1.170 20 5 BDBDMN C[C@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])[C@H]1C ZINC000602486431 371813200 /nfs/dbraw/zinc/81/32/00/371813200.db2.gz UFIFTMWNXHQEPQ-IUCAKERBSA-N 0 1 238.291 1.559 20 5 BDBDMN O=C(NC1CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269135720 182100451 /nfs/dbraw/zinc/10/04/51/182100451.db2.gz MUOZXIYZOFLVAW-UHFFFAOYSA-N 0 1 222.200 1.193 20 5 BDBDMN O=C(NCC(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356625182 182125788 /nfs/dbraw/zinc/12/57/88/182125788.db2.gz YNWAWGCRTQIEOE-UHFFFAOYSA-N 0 1 246.169 1.295 20 5 BDBDMN O=C(NCC12CCC(CC1)C2)[C@@H]1CC1[N+](=O)[O-] ZINC000366690805 182132913 /nfs/dbraw/zinc/13/29/13/182132913.db2.gz VAXZEOFOHZJEFW-OWNCLDLKSA-N 0 1 238.287 1.348 20 5 BDBDMN CCC[C@@H](CC)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000123679253 169377939 /nfs/dbraw/zinc/37/79/39/169377939.db2.gz RLDOAFVZDRWTGG-SSDOTTSWSA-N 0 1 240.263 1.626 20 5 BDBDMN C[C@H](CO)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000049963365 384584525 /nfs/dbraw/zinc/58/45/25/384584525.db2.gz YNRMUQCDHCCFIK-SSDOTTSWSA-N 0 1 244.678 1.719 20 5 BDBDMN O=C([C@H]1CC1[N+](=O)[O-])N1C[C@H]2CCCC[C@H]21 ZINC000365809174 384616943 /nfs/dbraw/zinc/61/69/43/384616943.db2.gz XINCJSSHLMCUMN-RGOKHQFPSA-N 0 1 224.260 1.053 20 5 BDBDMN C[C@]1(NCc2csc([N+](=O)[O-])c2)CCOC1 ZINC000120180606 384721318 /nfs/dbraw/zinc/72/13/18/384721318.db2.gz AVCSMOCMMDEABN-JTQLQIEISA-N 0 1 242.300 1.925 20 5 BDBDMN CN(Cc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000106882412 384935462 /nfs/dbraw/zinc/93/54/62/384935462.db2.gz LHBMSLQBQQJLMM-LBPRGKRZSA-N 0 1 236.271 1.816 20 5 BDBDMN O=[N+]([O-])c1ccccc1CN1CC[C@H](O)C1 ZINC000061709125 385133749 /nfs/dbraw/zinc/13/37/49/385133749.db2.gz WFKLVBKPSQDSIM-JTQLQIEISA-N 0 1 222.244 1.161 20 5 BDBDMN Cc1cnc(N[C@H](C)c2nnc[nH]2)c([N+](=O)[O-])c1 ZINC000226500686 386322408 /nfs/dbraw/zinc/32/24/08/386322408.db2.gz IKKXWIXLQDLMIX-SSDOTTSWSA-N 0 1 248.246 1.589 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC2CCC1CC2 ZINC000371388897 387867698 /nfs/dbraw/zinc/86/76/98/387867698.db2.gz PGOALHOBVDWMEP-YDYPAMBWSA-N 0 1 224.260 1.053 20 5 BDBDMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000054070415 388023152 /nfs/dbraw/zinc/02/31/52/388023152.db2.gz ZGDBWHCPVPKLJU-QMMMGPOBSA-N 0 1 238.243 1.500 20 5 BDBDMN CN(Cc1nnc[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC000174817766 388092840 /nfs/dbraw/zinc/09/28/40/388092840.db2.gz ZXYALPDTICWPRU-UHFFFAOYSA-N 0 1 247.258 1.345 20 5 BDBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCCC12CCC2 ZINC000373070190 388099112 /nfs/dbraw/zinc/09/91/12/388099112.db2.gz MXOGKULXXDGEEZ-IUCAKERBSA-N 0 1 224.260 1.197 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCCC2 ZINC000372370292 388258595 /nfs/dbraw/zinc/25/85/95/388258595.db2.gz XRFKKMAHTKIDCU-RKDXNWHRSA-N 0 1 224.260 1.054 20 5 BDBDMN C[C@H]1OCC[C@@H]1NCc1csc([N+](=O)[O-])c1 ZINC000134241325 388396849 /nfs/dbraw/zinc/39/68/49/388396849.db2.gz MRDXIQJZRCPOFT-APPZFPTMSA-N 0 1 242.300 1.923 20 5 BDBDMN Cc1[nH]nc(C(=O)N2[C@H](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000526931436 388696068 /nfs/dbraw/zinc/69/60/68/388696068.db2.gz NDUHYNCFXBCTTB-OLQVQODUSA-N 0 1 238.247 1.249 20 5 BDBDMN O=[N+]([O-])c1ccc(NCCc2nc[nH]n2)cc1 ZINC000080590231 388712020 /nfs/dbraw/zinc/71/20/20/388712020.db2.gz ITTBBXTUQAFRLJ-UHFFFAOYSA-N 0 1 233.231 1.368 20 5 BDBDMN O=[N+]([O-])c1ccccc1NCCCc1nc[nH]n1 ZINC000080606495 388712583 /nfs/dbraw/zinc/71/25/83/388712583.db2.gz IDHGWTSAQIZIFO-UHFFFAOYSA-N 0 1 247.258 1.758 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2CCCCC[C@H]21 ZINC000378094411 388727686 /nfs/dbraw/zinc/72/76/86/388727686.db2.gz YCZWOGBEPRYLPC-ZDCRXTMVSA-N 0 1 238.287 1.443 20 5 BDBDMN O=[N+]([O-])c1ccccc1CNC[C@@H](O)C(F)F ZINC000226577261 134366606 /nfs/dbraw/zinc/36/66/06/134366606.db2.gz HCPANKMNTAQVIA-SECBINFHSA-N 0 1 246.213 1.310 20 5 BDBDMN C[C@H](C1CC1)N(C)Cc1c([N+](=O)[O-])ncn1C ZINC000558713816 397925976 /nfs/dbraw/zinc/92/59/76/397925976.db2.gz OZESCTGHBHQDCQ-MRVPVSSYSA-N 0 1 238.291 1.559 20 5 BDBDMN CC(C)(C)CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000330524541 411488743 /nfs/dbraw/zinc/48/87/43/411488743.db2.gz URRSDPCDAZRUDR-UHFFFAOYSA-N 0 1 240.263 1.484 20 5 BDBDMN CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000299378742 170136018 /nfs/dbraw/zinc/13/60/18/170136018.db2.gz GOLQZTSCXQIWHD-UHFFFAOYSA-N 0 1 248.235 1.032 20 5 BDBDMN CCC[C@H](CC)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839596924 585331481 /nfs/dbraw/zinc/33/14/81/585331481.db2.gz BSMWNLMGGBPZJV-DJLDLDEBSA-N 0 1 214.265 1.347 20 5 BDBDMN O=C(N[C@H]1C=CCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000855427547 588833968 /nfs/dbraw/zinc/83/39/68/588833968.db2.gz MBNDPGUICPSFMB-VIFPVBQESA-N 0 1 248.238 1.749 20 5 BDBDMN O=C(N[C@@H]1C=CCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000855427546 588834042 /nfs/dbraw/zinc/83/40/42/588834042.db2.gz MBNDPGUICPSFMB-SECBINFHSA-N 0 1 248.238 1.749 20 5 BDBDMN O=C(OCC[C@@H]1CC[C@@H]2C[C@@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC000893795056 583222613 /nfs/dbraw/zinc/22/26/13/583222613.db2.gz OTNXYGSYZHGYIC-VPJKUYQRSA-N 0 1 239.271 1.631 20 5 BDBDMN CCC[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840671256 583407027 /nfs/dbraw/zinc/40/70/27/583407027.db2.gz SGACLNKUWBDZDI-XLPZGREQSA-N 0 1 201.222 1.383 20 5 BDBDMN O=C(NC1CCC=CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000895213610 583628309 /nfs/dbraw/zinc/62/83/09/583628309.db2.gz OAYYZDZEWYIMEG-NXEZZACHSA-N 0 1 224.260 1.267 20 5 BDBDMN CC1=NO[C@@H](CNCc2ccc([N+](=O)[O-])cc2)C1 ZINC000895311858 583646961 /nfs/dbraw/zinc/64/69/61/583646961.db2.gz STGIDFRCVKYDLC-GFCCVEGCSA-N 0 1 249.270 1.849 20 5 BDBDMN O=[N+]([O-])c1ccnn1CN1CCC[C@@H]1C1CC1 ZINC000728559839 583897553 /nfs/dbraw/zinc/89/75/53/583897553.db2.gz LIDBQOJBGXIXFD-SNVBAGLBSA-N 0 1 236.275 1.623 20 5 BDBDMN O=C(O[C@@H]1CCSC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000729210666 583965825 /nfs/dbraw/zinc/96/58/25/583965825.db2.gz SIMNXDCFPUVAEP-ZCFIWIBFSA-N 0 1 242.256 1.585 20 5 BDBDMN O=C(NCC=C(Cl)Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000898304021 584108464 /nfs/dbraw/zinc/10/84/64/584108464.db2.gz DFUXAZMIUQFUON-RFZPGFLSSA-N 0 1 239.058 1.087 20 5 BDBDMN COc1ccc(CNCC[N+](=O)[O-])cc1OC ZINC000899859953 584242875 /nfs/dbraw/zinc/24/28/75/584242875.db2.gz NVCKSKOWTCITAF-UHFFFAOYSA-N 0 1 240.259 1.070 20 5 BDBDMN CC1(C)CC[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000820749069 585014688 /nfs/dbraw/zinc/01/46/88/585014688.db2.gz YZDBMOMJDRMMIX-DJLDLDEBSA-N 0 1 227.260 1.774 20 5 BDBDMN C[C@@H]1CCC[C@H](N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839511816 585105959 /nfs/dbraw/zinc/10/59/59/585105959.db2.gz DKAYLQIZKKFVMJ-LMLFDSFASA-N 0 1 240.303 1.689 20 5 BDBDMN C[C@@H]1CCC[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839572738 585330641 /nfs/dbraw/zinc/33/06/41/585330641.db2.gz JRQSRNQZIHVLQX-GWOFURMSSA-N 0 1 240.303 1.594 20 5 BDBDMN C[C@H]1CCCC[C@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839578281 585330848 /nfs/dbraw/zinc/33/08/48/585330848.db2.gz YLMYYPOODKAIDA-UKKRHICBSA-N 0 1 240.303 1.594 20 5 BDBDMN C[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839599712 585331712 /nfs/dbraw/zinc/33/17/12/585331712.db2.gz SPCLEZLPNMZXQO-OPRDCNLKSA-N 0 1 226.276 1.300 20 5 BDBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCCC1 ZINC000839689745 585335212 /nfs/dbraw/zinc/33/52/12/585335212.db2.gz RTCURJIGYNXPGX-JMJZKYOTSA-N 0 1 240.303 1.737 20 5 BDBDMN C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H](C)S1 ZINC000839690503 585335364 /nfs/dbraw/zinc/33/53/64/585335364.db2.gz GTOJYAKRJVVUOF-RBXMUDONSA-N 0 1 244.316 1.004 20 5 BDBDMN CC1(C)CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839692392 585335724 /nfs/dbraw/zinc/33/57/24/585335724.db2.gz RWZGCSUALJZOJG-NXEZZACHSA-N 0 1 240.303 1.690 20 5 BDBDMN CC(C)C(C)(C)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839732606 585337053 /nfs/dbraw/zinc/33/70/53/585337053.db2.gz GCFDKGYHCRYDKL-RKDXNWHRSA-N 0 1 228.292 1.450 20 5 BDBDMN CC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(F)(F)F ZINC000839733210 585337057 /nfs/dbraw/zinc/33/70/57/585337057.db2.gz HYNSCMZQYHBBCO-PBXRRBTRSA-N 0 1 240.181 1.109 20 5 BDBDMN CCCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839703100 585337411 /nfs/dbraw/zinc/33/74/11/585337411.db2.gz FYAHAMJWPMJVRG-RKDXNWHRSA-N 0 1 226.276 1.348 20 5 BDBDMN O=C(N[C@@H]1CC12CCCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000839717325 585338334 /nfs/dbraw/zinc/33/83/34/585338334.db2.gz KIUHHJFYLLLGEV-OPRDCNLKSA-N 0 1 238.287 1.491 20 5 BDBDMN CC1=C[C@@H](C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839750030 585340301 /nfs/dbraw/zinc/34/03/01/585340301.db2.gz GYIFAUSPVYIULC-SZEHBUNVSA-N 0 1 224.260 1.076 20 5 BDBDMN CC(C)(C)C1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839778311 585341533 /nfs/dbraw/zinc/34/15/33/585341533.db2.gz OPRYGFZCZDVKAA-YDYPAMBWSA-N 0 1 240.303 1.593 20 5 BDBDMN CCC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)(C)C ZINC000839783266 585341962 /nfs/dbraw/zinc/34/19/62/585341962.db2.gz PXXLTGYTWCIUNX-OPRDCNLKSA-N 0 1 242.319 1.983 20 5 BDBDMN CC(C)=CCC[C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839783143 585342014 /nfs/dbraw/zinc/34/20/14/585342014.db2.gz FBPMBSKORDEGOZ-GMTAPVOTSA-N 0 1 240.303 1.903 20 5 BDBDMN CC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCC1 ZINC000839789409 585342313 /nfs/dbraw/zinc/34/23/13/585342313.db2.gz VZFLWBYBUIPKRA-GMTAPVOTSA-N 0 1 240.303 1.737 20 5 BDBDMN CCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC000839799314 585501853 /nfs/dbraw/zinc/50/18/53/585501853.db2.gz MWNQVAYTUBTQTN-HTQZYQBOSA-N 0 1 212.249 1.101 20 5 BDBDMN O=[N+]([O-])c1cccc(CN2C[C@H]3C[C@@]3(CO)C2)c1 ZINC000782611388 585822168 /nfs/dbraw/zinc/82/21/68/585822168.db2.gz CQZFOEHMONUFMK-YPMHNXCESA-N 0 1 248.282 1.409 20 5 BDBDMN CN1CCN(CC[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000791055158 585973302 /nfs/dbraw/zinc/97/33/02/585973302.db2.gz PZWWNTXELZQDIW-CYBMUJFWSA-N 0 1 249.314 1.252 20 5 BDBDMN Cc1cc(C(=O)Nc2c[nH]nn2)cc([N+](=O)[O-])c1 ZINC000798248177 586141789 /nfs/dbraw/zinc/14/17/89/586141789.db2.gz RCJCPEWQRMEQPT-UHFFFAOYSA-N 0 1 247.214 1.274 20 5 BDBDMN COc1ccccc1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840247183 586570727 /nfs/dbraw/zinc/57/07/27/586570727.db2.gz YFRFLPYEFXDVPU-HTQZYQBOSA-N 0 1 237.211 1.266 20 5 BDBDMN CC1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000840304355 586609064 /nfs/dbraw/zinc/60/90/64/586609064.db2.gz KMQBEGJSLVJUOJ-WDHPUFTPSA-N 0 1 240.303 1.737 20 5 BDBDMN CC[C@@H](C(=O)O[C@@H](C)C[N+](=O)[O-])N(CC)CC ZINC000814039339 586612477 /nfs/dbraw/zinc/61/24/77/586612477.db2.gz NWPNNHFZBXCFDM-UWVGGRQHSA-N 0 1 246.307 1.315 20 5 BDBDMN C[C@@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCC1 ZINC000817753769 586825744 /nfs/dbraw/zinc/82/57/44/586825744.db2.gz QGUOFOFTNMMSGE-FXBDTBDDSA-N 0 1 227.260 1.631 20 5 BDBDMN C[C@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000840670215 587915588 /nfs/dbraw/zinc/91/55/88/587915588.db2.gz DAGFBOFOGVZFNI-YUSALJHKSA-N 0 1 249.266 1.999 20 5 BDBDMN CO[C@H]1CCC[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000841000484 587934164 /nfs/dbraw/zinc/93/41/64/587934164.db2.gz CQSWUHGOVCMFDD-SGIHWFKDSA-N 0 1 243.259 1.152 20 5 BDBDMN CC(C)N(C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC000841106295 587946316 /nfs/dbraw/zinc/94/63/16/587946316.db2.gz HYNSZLSWTSNZHF-RKDXNWHRSA-N 0 1 214.265 1.297 20 5 BDBDMN Cc1cc(COC(=O)[C@@H]2CC2[N+](=O)[O-])ns1 ZINC000841201783 587949008 /nfs/dbraw/zinc/94/90/08/587949008.db2.gz QJHXEDIHQVEPHL-HTQZYQBOSA-N 0 1 242.256 1.160 20 5 BDBDMN CC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000841364111 587952420 /nfs/dbraw/zinc/95/24/20/587952420.db2.gz YJOSXPWQWKWNGY-DOLQZWNJSA-N 0 1 240.303 1.593 20 5 BDBDMN CC[C@H]1C[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000842329862 588018495 /nfs/dbraw/zinc/01/84/95/588018495.db2.gz JKJKDOOLIMWYJT-SGIHWFKDSA-N 0 1 243.259 1.152 20 5 BDBDMN CSCCCCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842335226 588018763 /nfs/dbraw/zinc/01/87/63/588018763.db2.gz KOZDJEAMEKQSJA-RKDXNWHRSA-N 0 1 247.316 1.728 20 5 BDBDMN C[C@@H]1C[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H](C)O1 ZINC000842337035 588019227 /nfs/dbraw/zinc/01/92/27/588019227.db2.gz ZDVCIGVQURQKHY-JDDHQFAOSA-N 0 1 243.259 1.151 20 5 BDBDMN CC(C)[C@@]1(C)C[C@H]1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842337160 588019459 /nfs/dbraw/zinc/01/94/59/588019459.db2.gz AWCWQDPJAMHNCF-BTQIBKBOSA-N 0 1 241.287 1.877 20 5 BDBDMN CS[C@@H](C)[C@@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842345729 588020011 /nfs/dbraw/zinc/02/00/11/588020011.db2.gz AUXYYTHEUUQOPV-ULAWRXDQSA-N 0 1 233.289 1.335 20 5 BDBDMN O=C(O[C@H](C1CC1)C1CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000842376480 588022546 /nfs/dbraw/zinc/02/25/46/588022546.db2.gz ZFNUHZWXQLAFKQ-MXWKQRLJSA-N 0 1 239.271 1.774 20 5 BDBDMN CC(C)[C@H](C(=O)OCC(C)(C)[N+](=O)[O-])N(C)C ZINC000851128072 588592907 /nfs/dbraw/zinc/59/29/07/588592907.db2.gz HLNZGGWWGNTGSL-SECBINFHSA-N 0 1 246.307 1.171 20 5 BDBDMN CCOC1(COC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC000851555998 588609974 /nfs/dbraw/zinc/60/99/74/588609974.db2.gz FLVGRDSZNOUELM-RKDXNWHRSA-N 0 1 243.259 1.154 20 5 BDBDMN CO[C@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000861301200 589158835 /nfs/dbraw/zinc/15/88/35/589158835.db2.gz IKKUNSNDKYNGDK-LJGSYFOKSA-N 0 1 240.215 1.257 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000871522827 589764843 /nfs/dbraw/zinc/76/48/43/589764843.db2.gz AKGDHSUASRHSND-LMLFDSFASA-N 0 1 236.271 1.076 20 5 BDBDMN C[C@@H](NCCCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872016684 589856325 /nfs/dbraw/zinc/85/63/25/589856325.db2.gz MQDDBWNGEKCMSX-MRVPVSSYSA-N 0 1 242.250 1.767 20 5 BDBDMN CC12CC(C1)CN2Cc1cccnc1[N+](=O)[O-] ZINC000886289069 592200933 /nfs/dbraw/zinc/20/09/33/592200933.db2.gz MWXJXKDTJFTBMH-UHFFFAOYSA-N 0 1 233.271 1.974 20 5 BDBDMN CN(Cn1ncc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000046477769 631710975 /nfs/dbraw/zinc/71/09/75/631710975.db2.gz HZNYLAWBEVJEKB-UHFFFAOYSA-N 0 1 246.270 1.996 20 5 BDBDMN O=[N+]([O-])CCNCc1ccc(N2CCCC2)cc1 ZINC000905035699 637556299 /nfs/dbraw/zinc/55/62/99/637556299.db2.gz OPMOLFROJTUYLU-UHFFFAOYSA-N 0 1 249.314 1.653 20 5 BDBDMN CC(C)c1nc(CCNCC[N+](=O)[O-])cs1 ZINC000905083741 637582150 /nfs/dbraw/zinc/58/21/50/637582150.db2.gz RKZUEYOYHMZMMJ-UHFFFAOYSA-N 0 1 243.332 1.675 20 5 BDBDMN Cc1ccc(OC[C@@H](C)NCC[N+](=O)[O-])cc1 ZINC000905065607 637597782 /nfs/dbraw/zinc/59/77/82/637597782.db2.gz ISAOCRMJICUGEV-LLVKDONJSA-N 0 1 238.287 1.629 20 5 BDBDMN CC[C@@H](NCC[N+](=O)[O-])c1ccncc1 ZINC000905134302 637645170 /nfs/dbraw/zinc/64/51/70/637645170.db2.gz SSFIVKAZCPOYLV-SNVBAGLBSA-N 0 1 209.249 1.399 20 5 BDBDMN Cc1cccc(C)c1CNCC[N+](=O)[O-] ZINC000905172235 637682596 /nfs/dbraw/zinc/68/25/96/637682596.db2.gz CFHYFOIZPWENBE-UHFFFAOYSA-N 0 1 208.261 1.670 20 5 BDBDMN CCO[C@H](CNCC[N+](=O)[O-])c1ccccc1 ZINC000905238595 637722422 /nfs/dbraw/zinc/72/24/22/637722422.db2.gz SFDKSJRXUAULLD-GFCCVEGCSA-N 0 1 238.287 1.631 20 5 BDBDMN CCCNc1ccc(CNCC[N+](=O)[O-])cc1 ZINC000905294020 637726114 /nfs/dbraw/zinc/72/61/14/637726114.db2.gz CZVOIIUEHRHDMO-UHFFFAOYSA-N 0 1 237.303 1.875 20 5 BDBDMN Cc1nc2ccccn2c1CNCC[N+](=O)[O-] ZINC000905699610 637890509 /nfs/dbraw/zinc/89/05/09/637890509.db2.gz KYBKNSZPPYVUOU-UHFFFAOYSA-N 0 1 234.259 1.009 20 5 BDBDMN O=[N+]([O-])CCN1CCOC[C@H](C2CCC2)C1 ZINC000930554504 639810405 /nfs/dbraw/zinc/81/04/05/639810405.db2.gz IPOFINAPCMWTCI-LLVKDONJSA-N 0 1 228.292 1.012 20 5 BDBDMN CC(C)COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000919668612 642368773 /nfs/dbraw/zinc/36/87/73/642368773.db2.gz ONCIPBJSELAJTI-UHFFFAOYSA-N 0 1 212.205 1.736 20 5 BDBDMN Cc1ccc([C@@H](C)NCC[N+](=O)[O-])cc1 ZINC000930189502 645917674 /nfs/dbraw/zinc/91/76/74/645917674.db2.gz WRGGWTLOUFEYBI-SNVBAGLBSA-N 0 1 208.261 1.922 20 5 BDBDMN O=[N+]([O-])CCN1CCc2ccc(O)cc2CC1 ZINC000929956790 646379810 /nfs/dbraw/zinc/37/98/10/646379810.db2.gz XXDICPRLEDTWNU-UHFFFAOYSA-N 0 1 236.271 1.070 20 5 BDBDMN C[C@@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)(C)C ZINC000869538972 712623127 /nfs/dbraw/zinc/62/31/27/712623127.db2.gz UBPCLQIBLMRCKZ-DJLDLDEBSA-N 0 1 229.276 1.877 20 5 BDBDMN CCN1CC[C@@H]1CNc1ncccc1[N+](=O)[O-] ZINC000712594322 712435230 /nfs/dbraw/zinc/43/52/30/712435230.db2.gz LFDKDNOGQWDAQI-SECBINFHSA-N 0 1 236.275 1.496 20 5 BDBDMN O=[N+]([O-])C[C@@H]1CC[C@@H](NCc2cocn2)C1 ZINC001168975646 969323900 /nfs/dbraw/zinc/32/39/00/969323900.db2.gz WQKILRDTBFRMLL-RKDXNWHRSA-N 0 1 225.248 1.210 20 5 BDBDMN C[C@@H]1COCCN1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169007699 969332646 /nfs/dbraw/zinc/33/26/46/969332646.db2.gz PMCPJQUYMZNWBZ-GMTAPVOTSA-N 0 1 228.292 1.153 20 5 BDBDMN O=[N+]([O-])c1cccnc1N[C@H]1CN2CCC1CC2 ZINC000020565799 970870659 /nfs/dbraw/zinc/87/06/59/970870659.db2.gz BWCWQHHNGCGAPE-JTQLQIEISA-N 0 1 248.286 1.496 20 5 BDBDMN O=[N+]([O-])c1ccc(O)cc1OC1CC(O)C1 ZINC001218255841 971654073 /nfs/dbraw/zinc/65/40/73/971654073.db2.gz MQPVHFNOUUNKGQ-UHFFFAOYSA-N 0 1 225.200 1.203 20 5 BDBDMN O=[N+]([O-])C[C@H]1CC[C@@H](NCc2cocn2)C1 ZINC001168975642 969323324 /nfs/dbraw/zinc/32/33/24/969323324.db2.gz WQKILRDTBFRMLL-DTWKUNHWSA-N 0 1 225.248 1.210 20 5 BDBDMN COC1(C)CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169005999 969328984 /nfs/dbraw/zinc/32/89/84/969328984.db2.gz FBYSSLLCIGWNDT-VHSXEESVSA-N 0 1 228.292 1.153 20 5 BDBDMN O=[N+]([O-])C[C@H]1CC[C@H](N2Cc3cncnc3C2)C1 ZINC001169008695 969332928 /nfs/dbraw/zinc/33/29/28/969332928.db2.gz UBLFMQUYRYJNTI-ONGXEEELSA-N 0 1 248.286 1.238 20 5 BDBDMN Cc1ncn(-c2ccc(F)c([N+](=O)[O-])c2)c1N ZINC001211191672 970167736 /nfs/dbraw/zinc/16/77/36/970167736.db2.gz ZUNBPHGWWROXAU-UHFFFAOYSA-N 0 1 236.206 1.810 20 5 BDBDMN O=[N+]([O-])C[C@@H](Oc1cccc2[nH]nnc21)C1CC1 ZINC001225990948 974755807 /nfs/dbraw/zinc/75/58/07/974755807.db2.gz OOHYDMAACXOZJU-SNVBAGLBSA-N 0 1 248.242 1.392 20 5 BDBDMN CN1CCC[C@@H](Oc2cnccc2[N+](=O)[O-])C1 ZINC001228879995 976547563 /nfs/dbraw/zinc/54/75/63/976547563.db2.gz OAYLBOHDNYVANC-SECBINFHSA-N 0 1 237.259 1.463 20 5 BDBDMN CN(CC[N+](=O)[O-])CC1(c2ccccc2)CC1 ZINC001335894845 977352353 /nfs/dbraw/zinc/35/23/53/977352353.db2.gz ZMSRELWWUJOOMK-UHFFFAOYSA-N 0 1 234.299 1.927 20 5 BDBDMN CN(Cc1cnc[nH]1)c1ccc([N+](=O)[O-])cn1 ZINC001187007849 980469169 /nfs/dbraw/zinc/46/91/69/980469169.db2.gz SCWDBRLIBQKQCE-UHFFFAOYSA-N 0 1 233.231 1.349 20 5 BDBDMN O=C(NCC=CC1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC001325151182 989104186 /nfs/dbraw/zinc/10/41/86/989104186.db2.gz LUGIQFTWVJRXKE-UPHRSURJSA-N 0 1 236.231 1.014 20 5 BDBDMN O=[N+]([O-])c1ccc(N2CCc3cn[nH]c3C2)cn1 ZINC001559147464 991042233 /nfs/dbraw/zinc/04/22/33/991042233.db2.gz XIHKZNMTTLUODP-UHFFFAOYSA-N 0 1 245.242 1.276 20 5 BDBDMN C[C@@]1(O)CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000178012100 398166466 /nfs/dbraw/zinc/16/64/66/398166466.db2.gz OOHAUYGNBXGLRX-GFCCVEGCSA-N 0 1 236.271 1.552 20 5 BDBDMN Cc1cc([N+](=O)[O-])ccc1NCCc1nc[nH]n1 ZINC000080590265 178272471 /nfs/dbraw/zinc/27/24/71/178272471.db2.gz OFUOHSMCAAZBTH-UHFFFAOYSA-N 0 1 247.258 1.676 20 5 BDBDMN O=[N+]([O-])c1ccccc1NCc1nnc[nH]1 ZINC000037920130 342838157 /nfs/dbraw/zinc/83/81/57/342838157.db2.gz WFHGYPZMYKQCEL-UHFFFAOYSA-N 0 1 219.204 1.325 20 5 BDBDMN Cc1cc(CNc2ccc([N+](=O)[O-])nc2)n[nH]1 ZINC000609797333 342911362 /nfs/dbraw/zinc/91/13/62/342911362.db2.gz LNDHEJXVJRACLP-UHFFFAOYSA-N 0 1 233.231 1.633 20 5 BDBDMN O=[N+]([O-])c1cccc(CN2CC[C@@]3(O)C[C@H]3C2)c1 ZINC000595766920 348334843 /nfs/dbraw/zinc/33/48/43/348334843.db2.gz MVYUNOGIFLUOCF-WCQYABFASA-N 0 1 248.282 1.552 20 5 BDBDMN O=[N+]([O-])c1cccc(CN2CCC3(COC3)C2)c1 ZINC000595833973 348367337 /nfs/dbraw/zinc/36/73/37/348367337.db2.gz FWPOZFSKRZIIIL-UHFFFAOYSA-N 0 1 248.282 1.817 20 5 BDBDMN CCNCc1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000090299972 363033862 /nfs/dbraw/zinc/03/38/62/363033862.db2.gz BCOQNEKZRLDFQZ-UHFFFAOYSA-N 0 1 247.258 1.285 20 5 BDBDMN C[C@@H](CO)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000035602089 358002361 /nfs/dbraw/zinc/00/23/61/358002361.db2.gz ARAFFDMCUWTKMH-ZETCQYMHSA-N 0 1 244.678 1.719 20 5 BDBDMN O=[N+]([O-])c1ccc(N2CCc3cn[nH]c3C2)nc1 ZINC000611007183 358429878 /nfs/dbraw/zinc/42/98/78/358429878.db2.gz VTBPIOHTVRMEKG-UHFFFAOYSA-N 0 1 245.242 1.276 20 5 BDBDMN C[C@H](Nc1ncccc1[N+](=O)[O-])c1nnc[nH]1 ZINC000219644973 134288879 /nfs/dbraw/zinc/28/88/79/134288879.db2.gz CRZBKBCKKASFSF-LURJTMIESA-N 0 1 234.219 1.281 20 5 BDBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](O)C1 ZINC000074324353 368837277 /nfs/dbraw/zinc/83/72/77/368837277.db2.gz AQTUTISUHBJBGU-JOYOIKCWSA-N 0 1 236.271 1.722 20 5 BDBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](O)C1 ZINC000074324358 368837821 /nfs/dbraw/zinc/83/78/21/368837821.db2.gz AQTUTISUHBJBGU-BXKDBHETSA-N 0 1 236.271 1.722 20 5 BDBDMN CC(C)CN(C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602438469 371804066 /nfs/dbraw/zinc/80/40/66/371804066.db2.gz RCCBGMJTZVCUMV-UHFFFAOYSA-N 0 1 226.280 1.416 20 5 BDBDMN C[C@@H]1[C@@H](C)CCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602486430 371813461 /nfs/dbraw/zinc/81/34/61/371813461.db2.gz UFIFTMWNXHQEPQ-DTWKUNHWSA-N 0 1 238.291 1.559 20 5 BDBDMN O=C(NCC12CCC(CC1)C2)[C@H]1CC1[N+](=O)[O-] ZINC000366690806 182133908 /nfs/dbraw/zinc/13/39/08/182133908.db2.gz VAXZEOFOHZJEFW-QLWZBITOSA-N 0 1 238.287 1.348 20 5 BDBDMN O=[N+]([O-])c1ccc(CNCCO)c(Cl)c1 ZINC000049963350 384072812 /nfs/dbraw/zinc/07/28/12/384072812.db2.gz IZPQWTTYWHTPJP-UHFFFAOYSA-N 0 1 230.651 1.330 20 5 BDBDMN CN(Cc1c([N+](=O)[O-])ncn1C)C1CCCC1 ZINC000331058521 385883562 /nfs/dbraw/zinc/88/35/62/385883562.db2.gz MMTHQOXKIYHZKD-UHFFFAOYSA-N 0 1 238.291 1.703 20 5 BDBDMN O=[N+]([O-])c1ccccc1CN1CC[C@H](CO)C1 ZINC000051886643 386566357 /nfs/dbraw/zinc/56/63/57/386566357.db2.gz ZBCHIJPIUPJUAH-JTQLQIEISA-N 0 1 236.271 1.409 20 5 BDBDMN Cc1nc(N(C)Cc2nnc[nH]2)ccc1[N+](=O)[O-] ZINC000268425895 387019872 /nfs/dbraw/zinc/01/98/72/387019872.db2.gz AGYHIEUGQSXMCH-UHFFFAOYSA-N 0 1 248.246 1.053 20 5 BDBDMN CC[C@H](O)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000171646772 388405745 /nfs/dbraw/zinc/40/57/45/388405745.db2.gz HKXXQMKPUZGJRL-NSHDSACASA-N 0 1 238.287 1.798 20 5 BDBDMN Cc1[nH]ncc1CNc1ncc([N+](=O)[O-])cn1 ZINC000040454799 388416696 /nfs/dbraw/zinc/41/66/96/388416696.db2.gz WEYWSRNFPRKMII-UHFFFAOYSA-N 0 1 234.219 1.028 20 5 BDBDMN Cc1[nH]nc(C(=O)N2[C@@H](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000526931447 388696013 /nfs/dbraw/zinc/69/60/13/388696013.db2.gz NDUHYNCFXBCTTB-WDSKDSINSA-N 0 1 238.247 1.249 20 5 BDBDMN O=[N+]([O-])c1ccc(NCCN2CC=CCC2)nc1 ZINC000280241921 388781792 /nfs/dbraw/zinc/78/17/92/388781792.db2.gz MNFONONOPIKVCH-UHFFFAOYSA-N 0 1 248.286 1.664 20 5 BDBDMN CN(Cc1ccc([N+](=O)[O-])cc1)C1CC(O)C1 ZINC000332472958 388790251 /nfs/dbraw/zinc/79/02/51/388790251.db2.gz SNNQHRIJTXDJLF-UHFFFAOYSA-N 0 1 236.271 1.550 20 5 BDBDMN Cc1[nH]n(-c2cccc([N+](=O)[O-])c2)c(=O)c1C ZINC000100337611 168135343 /nfs/dbraw/zinc/13/53/43/168135343.db2.gz WOTVSTDISBPIJX-SSDOTTSWSA-N 0 1 233.227 1.953 20 5 BDBDMN CC(C)N(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000840319859 586621831 /nfs/dbraw/zinc/62/18/31/586621831.db2.gz PKRIOWALTRRDAG-RKDXNWHRSA-N 0 1 212.249 1.051 20 5 BDBDMN C[C@@H]1COC[C@H]1OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000853193440 588724098 /nfs/dbraw/zinc/72/40/98/588724098.db2.gz QLYRKPQQTZJCDV-HTRCEHHLSA-N 0 1 240.215 1.115 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](CCF)C1 ZINC000855825707 588849481 /nfs/dbraw/zinc/84/94/81/588849481.db2.gz TWLUEXJVPJITET-OPRDCNLKSA-N 0 1 244.266 1.250 20 5 BDBDMN CC(C)CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000856192013 588863928 /nfs/dbraw/zinc/86/39/28/588863928.db2.gz PRRZEEDIISXYNV-RKDXNWHRSA-N 0 1 226.276 1.347 20 5 BDBDMN CC[C@@H]1CCC[C@H](C)N1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000856273772 588866278 /nfs/dbraw/zinc/86/62/78/588866278.db2.gz OPWAGQHPPMVCHP-LNFKQOIKSA-N 0 1 240.303 1.831 20 5 BDBDMN CN(C[C@H]1CC1(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000856459919 588872879 /nfs/dbraw/zinc/87/28/79/588872879.db2.gz SOLYELUDVJJBJD-IWSPIJDZSA-N 0 1 226.276 1.156 20 5 BDBDMN O=C(OCCCc1ccoc1)[C@@H]1CC1[N+](=O)[O-] ZINC000893335019 583107999 /nfs/dbraw/zinc/10/79/99/583107999.db2.gz WEEUIATZWJDONL-NXEZZACHSA-N 0 1 239.227 1.421 20 5 BDBDMN Cc1cccc(COC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000840670280 583403139 /nfs/dbraw/zinc/40/31/39/583403139.db2.gz FBJDGADDEZAVFZ-NXEZZACHSA-N 0 1 236.227 1.098 20 5 BDBDMN Cc1ccc(CCOC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000840670596 583403818 /nfs/dbraw/zinc/40/38/18/583403818.db2.gz ITWSAZVTCJQBMR-VXGBXAGGSA-N 0 1 249.266 1.746 20 5 BDBDMN CC1=NO[C@H](CNCc2ccc([N+](=O)[O-])cc2)C1 ZINC000895311860 583646858 /nfs/dbraw/zinc/64/68/58/583646858.db2.gz STGIDFRCVKYDLC-LBPRGKRZSA-N 0 1 249.270 1.849 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC=C(Cl)C1 ZINC000898200968 584099535 /nfs/dbraw/zinc/09/95/35/584099535.db2.gz KWPSVHWWROYCBU-HTQZYQBOSA-N 0 1 230.651 1.007 20 5 BDBDMN COc1cc(CNCC[N+](=O)[O-])ccc1C ZINC000899873570 584245622 /nfs/dbraw/zinc/24/56/22/584245622.db2.gz RTWKFWFJCFBMAQ-UHFFFAOYSA-N 0 1 224.260 1.370 20 5 BDBDMN CCc1cc(CNc2cccnc2[N+](=O)[O-])n[nH]1 ZINC000732804004 584941397 /nfs/dbraw/zinc/94/13/97/584941397.db2.gz CQCQDOGTCZFZBJ-UHFFFAOYSA-N 0 1 247.258 1.887 20 5 BDBDMN CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839524482 585105753 /nfs/dbraw/zinc/10/57/53/585105753.db2.gz HEGKEJBVVGLPSB-CHWFTXMASA-N 0 1 240.303 1.737 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1c1ccc[nH]1 ZINC000839524837 585105884 /nfs/dbraw/zinc/10/58/84/585105884.db2.gz PGLBJUJCVNZZJD-FBIMIBRVSA-N 0 1 249.270 1.343 20 5 BDBDMN O=C(OCC1CCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000744197628 585145942 /nfs/dbraw/zinc/14/59/42/585145942.db2.gz JCSJPNDDPIEXJP-UHFFFAOYSA-N 0 1 224.216 1.880 20 5 BDBDMN O=C(NC[C@@H]1Cc2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000839549039 585330229 /nfs/dbraw/zinc/33/02/29/585330229.db2.gz VHEJSVFBQZPVKC-MVWJERBFSA-N 0 1 246.266 1.108 20 5 BDBDMN CC[C@H](C)[C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839576257 585330715 /nfs/dbraw/zinc/33/07/15/585330715.db2.gz ZVHSLCWYTKMGNN-JQCXWYLXSA-N 0 1 214.265 1.202 20 5 BDBDMN C[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1C ZINC000839688252 585335332 /nfs/dbraw/zinc/33/53/32/585335332.db2.gz BLVYCUNPZWXUHL-UTINFBMNSA-N 0 1 226.276 1.299 20 5 BDBDMN C[C@@H]1CC[C@H](C)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839695113 585335506 /nfs/dbraw/zinc/33/55/06/585335506.db2.gz YTEDPKHYELQKGZ-UTINFBMNSA-N 0 1 226.276 1.299 20 5 BDBDMN CCSCC[C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839694839 585335546 /nfs/dbraw/zinc/33/55/46/585335546.db2.gz SKVHTRUPSVQHGY-IWSPIJDZSA-N 0 1 246.332 1.300 20 5 BDBDMN C[C@H]1CC[C@H](C)N1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839701023 585335853 /nfs/dbraw/zinc/33/58/53/585335853.db2.gz JDIYTJQVGPHJAX-RBXMUDONSA-N 0 1 212.249 1.051 20 5 BDBDMN Cc1ccc(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839682303 585337017 /nfs/dbraw/zinc/33/70/17/585337017.db2.gz CBEDCBVTSBDNPI-VXGBXAGGSA-N 0 1 248.282 1.319 20 5 BDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC[C@@H]1C(F)F ZINC000839758046 585340612 /nfs/dbraw/zinc/34/06/12/585340612.db2.gz OLNWIROFTARCQJ-BWZBUEFSSA-N 0 1 248.229 1.298 20 5 BDBDMN CC[C@@H]1CCC[C@@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839783493 585342031 /nfs/dbraw/zinc/34/20/31/585342031.db2.gz ILUNKNFRFLWYQI-GWOFURMSSA-N 0 1 240.303 1.594 20 5 BDBDMN CCc1noc(-c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000776762647 585704852 /nfs/dbraw/zinc/70/48/52/585704852.db2.gz FVSZCQNNYOYSAQ-UHFFFAOYSA-N 0 1 235.199 1.913 20 5 BDBDMN O=[N+]([O-])CCN1CCc2ccccc2CC1 ZINC000791053431 585973106 /nfs/dbraw/zinc/97/31/06/585973106.db2.gz SRQPFWOYRMBGSW-UHFFFAOYSA-N 0 1 220.272 1.364 20 5 BDBDMN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)C1CC1 ZINC000797967027 586135040 /nfs/dbraw/zinc/13/50/40/586135040.db2.gz ASFZSNHOYQRFNC-ZCFIWIBFSA-N 0 1 224.216 1.878 20 5 BDBDMN CCO[C@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000859721023 589056969 /nfs/dbraw/zinc/05/69/69/589056969.db2.gz YPWHFTAGKXJTCM-OPRDCNLKSA-N 0 1 243.259 1.010 20 5 BDBDMN CC1(C)CC[C@@H]1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000821828664 587141100 /nfs/dbraw/zinc/14/11/00/587141100.db2.gz NLAMCHJXECUTCY-PRJMDXOYSA-N 0 1 213.233 1.383 20 5 BDBDMN O=C(OC[C@H]1CCC(F)(F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000840674894 587916257 /nfs/dbraw/zinc/91/62/57/587916257.db2.gz RJOZFGSQHRGXIL-XLPZGREQSA-N 0 1 249.213 1.630 20 5 BDBDMN Cc1ccc(C)c(OC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000841003187 587935035 /nfs/dbraw/zinc/93/50/35/587935035.db2.gz PJUTUBJJSUDWRE-NXEZZACHSA-N 0 1 235.239 1.874 20 5 BDBDMN CC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000841364113 587952525 /nfs/dbraw/zinc/95/25/25/587952525.db2.gz YJOSXPWQWKWNGY-XFWSIPNHSA-N 0 1 240.303 1.593 20 5 BDBDMN C[C@@H]1[C@H](C)CN(Cn2nccc2[N+](=O)[O-])[C@H]1C ZINC000841688897 587972068 /nfs/dbraw/zinc/97/20/68/587972068.db2.gz HUVZACNFVJNSND-BBBLOLIVSA-N 0 1 238.291 1.725 20 5 BDBDMN CC[C@H](CCOC)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842326183 588018165 /nfs/dbraw/zinc/01/81/65/588018165.db2.gz HQZIZZBFAFKKOO-IWSPIJDZSA-N 0 1 231.248 1.010 20 5 BDBDMN O=C(OCCC[C@H]1CCCO1)[C@@H]1CC1[N+](=O)[O-] ZINC000842336376 588019122 /nfs/dbraw/zinc/01/91/22/588019122.db2.gz VVWFIPBYKKLJAZ-OPRDCNLKSA-N 0 1 243.259 1.154 20 5 BDBDMN CS[C@@H](C)[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842345726 588020169 /nfs/dbraw/zinc/02/01/69/588020169.db2.gz AUXYYTHEUUQOPV-RULNZFCNSA-N 0 1 233.289 1.335 20 5 BDBDMN CC[C@H](C)[C@@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])OC ZINC000842370350 588022085 /nfs/dbraw/zinc/02/20/85/588022085.db2.gz SEXGMLMYTJTVOO-SGIHWFKDSA-N 0 1 245.275 1.256 20 5 BDBDMN CC[C@@](C)(COC(=O)[C@@H]1CC1[N+](=O)[O-])OC ZINC000842375417 588022594 /nfs/dbraw/zinc/02/25/94/588022594.db2.gz GWLUCWQQTQZWAQ-MRTMQBJTSA-N 0 1 231.248 1.010 20 5 BDBDMN CC[C@@H](COC(=O)c1ccc([N+](=O)[O-])[nH]1)OC ZINC000842430263 588025105 /nfs/dbraw/zinc/02/51/05/588025105.db2.gz PJVKQMRSSJOYNZ-ZETCQYMHSA-N 0 1 242.231 1.505 20 5 BDBDMN CC(C)(C)C[C@@H]1C[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000844790083 588217308 /nfs/dbraw/zinc/21/73/08/588217308.db2.gz MSYJULZOYLCGSD-SGIHWFKDSA-N 0 1 240.303 1.593 20 5 BDBDMN O=C(OC1CCC(F)(F)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000860974084 589137258 /nfs/dbraw/zinc/13/72/58/589137258.db2.gz GBANHDGQKKLRLB-HTQZYQBOSA-N 0 1 249.213 1.773 20 5 BDBDMN Cc1ccc(CCOC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC000870497962 589669751 /nfs/dbraw/zinc/66/97/51/589669751.db2.gz FPSDCYRZEMGZRE-NXEZZACHSA-N 0 1 239.227 1.339 20 5 BDBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CC12CC2 ZINC000873624161 590062590 /nfs/dbraw/zinc/06/25/90/590062590.db2.gz MHVCDZHNJDHRCG-FNCVBFRFSA-N 0 1 225.244 1.383 20 5 BDBDMN O=C(NC1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000047238624 634382005 /nfs/dbraw/zinc/38/20/05/634382005.db2.gz MZAUTYXYXDUKMS-RKDXNWHRSA-N 0 1 212.249 1.101 20 5 BDBDMN COCc1cc(CNCC[N+](=O)[O-])ccc1F ZINC000905101733 637611960 /nfs/dbraw/zinc/61/19/60/637611960.db2.gz NMPBCFAYWOENFN-UHFFFAOYSA-N 0 1 242.250 1.338 20 5 BDBDMN O=[N+]([O-])CCN[C@H]1CCc2ccc(F)cc21 ZINC000905093664 637630709 /nfs/dbraw/zinc/63/07/09/637630709.db2.gz AFAFTOURMQZXKP-NSHDSACASA-N 0 1 224.235 1.679 20 5 BDBDMN Cc1cccc2c1CC[C@H]2NCC[N+](=O)[O-] ZINC000905095300 637633810 /nfs/dbraw/zinc/63/38/10/637633810.db2.gz RWERXIVXEFOKGB-GFCCVEGCSA-N 0 1 220.272 1.849 20 5 BDBDMN Cc1cccc2c1CC[C@@H]2NCC[N+](=O)[O-] ZINC000905095301 637634971 /nfs/dbraw/zinc/63/49/71/637634971.db2.gz RWERXIVXEFOKGB-LBPRGKRZSA-N 0 1 220.272 1.849 20 5 BDBDMN O=[N+]([O-])CCNCCc1cc2ccccc2o1 ZINC000905133362 637645096 /nfs/dbraw/zinc/64/50/96/637645096.db2.gz LDMNPYCTLTZPST-UHFFFAOYSA-N 0 1 234.255 1.842 20 5 BDBDMN Cc1cccc(O[C@H](C)CNCC[N+](=O)[O-])c1 ZINC000905135277 637646615 /nfs/dbraw/zinc/64/66/15/637646615.db2.gz JOUVZJWIZCNIGA-LLVKDONJSA-N 0 1 238.287 1.629 20 5 BDBDMN COc1cccc2c1CC[C@@H]2NCC[N+](=O)[O-] ZINC000905168459 637680020 /nfs/dbraw/zinc/68/00/20/637680020.db2.gz LKKJRXVDMQHMGY-NSHDSACASA-N 0 1 236.271 1.549 20 5 BDBDMN C[C@H](NCC[N+](=O)[O-])[C@H](O)c1ccc(F)cc1 ZINC000905351049 637770961 /nfs/dbraw/zinc/77/09/61/637770961.db2.gz QQWWCCWLEZUQJN-KWQFWETISA-N 0 1 242.250 1.114 20 5 BDBDMN C[C@@H](NCC[N+](=O)[O-])[C@H](O)c1ccc(F)cc1 ZINC000905351048 637771687 /nfs/dbraw/zinc/77/16/87/637771687.db2.gz QQWWCCWLEZUQJN-KCJUWKMLSA-N 0 1 242.250 1.114 20 5 BDBDMN CN(CC[N+](=O)[O-])C1CC(OC(C)(C)C)C1 ZINC000930750085 639896275 /nfs/dbraw/zinc/89/62/75/639896275.db2.gz FIUWGMSEPPAORM-UHFFFAOYSA-N 0 1 230.308 1.541 20 5 BDBDMN C[C@@H]1[C@@H](C)[C@H](C)CN1Cn1cc([N+](=O)[O-])cn1 ZINC000841689304 645223737 /nfs/dbraw/zinc/22/37/37/645223737.db2.gz IZPBMHDKBQAXRJ-KXUCPTDWSA-N 0 1 238.291 1.725 20 5 BDBDMN C[C@@H]1C[C@H](C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000928185921 645706824 /nfs/dbraw/zinc/70/68/24/645706824.db2.gz VADPVSQNFZMEAQ-GWOFURMSSA-N 0 1 240.303 1.546 20 5 BDBDMN O=[N+]([O-])CCN1CCC(Cc2cccnc2)CC1 ZINC000930171797 646472152 /nfs/dbraw/zinc/47/21/52/646472152.db2.gz WJEHFNAHHKRZNZ-UHFFFAOYSA-N 0 1 249.314 1.613 20 5 BDBDMN CN1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000712593135 712435245 /nfs/dbraw/zinc/43/52/45/712435245.db2.gz CFSKFYLXHHRLKJ-NSHDSACASA-N 0 1 221.260 1.711 20 5 BDBDMN CCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC000847169889 712608567 /nfs/dbraw/zinc/60/85/67/712608567.db2.gz COSGZRWRDQCXNW-RKDXNWHRSA-N 0 1 214.265 1.299 20 5 BDBDMN