smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ncnc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC001164668473 719393994 /nfs/dbraw/zinc/39/39/94/719393994.db2.gz RTOJSIBSYSFHIA-DTWKUNHWSA-N 1 1 295.299 -0.087 20 5 CBBDMO Cn1cnc([N+](=O)[O-])c1N1CC[N@H+](C)[C@H](CO)C1 ZINC000687590679 790652413 /nfs/dbraw/zinc/65/24/13/790652413.db2.gz FUWORPMKSJHSCZ-QMMMGPOBSA-N 1 1 255.278 -0.559 20 5 CBBDMO Cn1cnc([N+](=O)[O-])c1N1CC[N@@H+](C)[C@H](CO)C1 ZINC000687590679 790652420 /nfs/dbraw/zinc/65/24/20/790652420.db2.gz FUWORPMKSJHSCZ-QMMMGPOBSA-N 1 1 255.278 -0.559 20 5 CBBDMO COCC[NH+]1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001031660146 799530337 /nfs/dbraw/zinc/53/03/37/799530337.db2.gz BQZKLNQUJTVKBU-NXEZZACHSA-N 1 1 257.290 -0.654 20 5 CBBDMO CC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055483811 802395644 /nfs/dbraw/zinc/39/56/44/802395644.db2.gz QSTGZYLFXDVDJX-VXGBXAGGSA-N 1 1 298.343 -0.632 20 5 CBBDMO C[N@@H+]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001322846439 803947773 /nfs/dbraw/zinc/94/77/73/803947773.db2.gz RTLMIQWGBWWEDS-UHFFFAOYSA-N 1 1 294.311 -0.079 20 5 CBBDMO C[N@H+]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001322846439 803947778 /nfs/dbraw/zinc/94/77/78/803947778.db2.gz RTLMIQWGBWWEDS-UHFFFAOYSA-N 1 1 294.311 -0.079 20 5 CBBDMO C[N@H+](CCNS(C)(=O)=O)CCn1cc([N+](=O)[O-])cn1 ZINC001323485662 804033177 /nfs/dbraw/zinc/03/31/77/804033177.db2.gz MNRWDEOXMOEJBS-UHFFFAOYSA-N 1 1 291.333 -0.728 20 5 CBBDMO C[N@@H+](CCNS(C)(=O)=O)CCn1cc([N+](=O)[O-])cn1 ZINC001323485662 804033185 /nfs/dbraw/zinc/03/31/85/804033185.db2.gz MNRWDEOXMOEJBS-UHFFFAOYSA-N 1 1 291.333 -0.728 20 5 CBBDMO O=C(NC[C@H]1C[C@@H]([NH2+]CCO)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086084132 810241900 /nfs/dbraw/zinc/24/19/00/810241900.db2.gz DXHSMKWTFNQGIO-UTINFBMNSA-N 1 1 257.290 -0.872 20 5 CBBDMO Cn1cc(CC[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001157767055 815462953 /nfs/dbraw/zinc/46/29/53/815462953.db2.gz FUIFIKCLQMHZQY-VXGBXAGGSA-N 1 1 295.343 -0.276 20 5 CBBDMO Cn1ccnc1C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157760749 815463307 /nfs/dbraw/zinc/46/33/07/815463307.db2.gz IGNOMXUGUMHNQU-NXEZZACHSA-N 1 1 281.316 -0.319 20 5 CBBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(-n2cnc(C[NH3+])n2)n1 ZINC001157931372 815484095 /nfs/dbraw/zinc/48/40/95/815484095.db2.gz JAJTVSVMVAUPSC-UHFFFAOYSA-N 1 1 292.259 -0.309 20 5 CBBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1cnc(C[NH3+])n1 ZINC001157928521 815484782 /nfs/dbraw/zinc/48/47/82/815484782.db2.gz QRYPOMPAJZVRBZ-UHFFFAOYSA-N 1 1 250.218 -0.424 20 5 CBBDMO [NH3+]Cc1ncn(-c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])n1 ZINC001157928877 815485076 /nfs/dbraw/zinc/48/50/76/815485076.db2.gz YZMANVKZKIASHW-UHFFFAOYSA-N 1 1 270.636 -0.079 20 5 CBBDMO O=C(N[C@H]1CCC[N@H+](CCCO)C1)c1c[nH]nc1[N+](=O)[O-] ZINC001158481792 815535674 /nfs/dbraw/zinc/53/56/74/815535674.db2.gz HNQPJZAABZTDBJ-VIFPVBQESA-N 1 1 297.315 -0.106 20 5 CBBDMO CSCC(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001123166762 813221174 /nfs/dbraw/zinc/22/11/74/813221174.db2.gz RVNXTJJCAJXBIE-UHFFFAOYSA-N 1 1 287.345 -0.103 20 5 CBBDMO COc1cccc(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001126932107 813695534 /nfs/dbraw/zinc/69/55/34/813695534.db2.gz IWLNBDPJIITKCO-GHMZBOCLSA-N 1 1 294.311 -0.039 20 5 CBBDMO O=C(NCC[NH2+]Cc1cccnc1)[C@@H]1CC1[N+](=O)[O-] ZINC001126932284 813695861 /nfs/dbraw/zinc/69/58/61/813695861.db2.gz QFSXLGNMJXPZRK-GHMZBOCLSA-N 1 1 264.285 -0.047 20 5 CBBDMO COCCOCC[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126936289 813697420 /nfs/dbraw/zinc/69/74/20/813697420.db2.gz FKYGDBDIWIULKZ-NXEZZACHSA-N 1 1 275.305 -0.980 20 5 CBBDMO Cc1oncc1C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126936444 813697795 /nfs/dbraw/zinc/69/77/95/813697795.db2.gz IEFRKHRDAURPGD-NXEZZACHSA-N 1 1 268.273 -0.146 20 5 CBBDMO NC(=O)C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001133206328 814229772 /nfs/dbraw/zinc/22/97/72/814229772.db2.gz LXTQYEUFUJIBGR-UHFFFAOYSA-N 1 1 272.286 -0.653 20 5 CBBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])[C@@H](C)C1 ZINC001138702010 814613741 /nfs/dbraw/zinc/61/37/41/814613741.db2.gz DJUYKIQLHZKMBQ-DTWKUNHWSA-N 1 1 297.315 -0.155 20 5 CBBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])[C@@H](C)C1 ZINC001138702010 814613745 /nfs/dbraw/zinc/61/37/45/814613745.db2.gz DJUYKIQLHZKMBQ-DTWKUNHWSA-N 1 1 297.315 -0.155 20 5 CBBDMO C[NH+]1CCN(C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001139589492 814624204 /nfs/dbraw/zinc/62/42/04/814624204.db2.gz FTCWTGUCHNTKOU-GHMZBOCLSA-N 1 1 268.317 -0.890 20 5 CBBDMO C[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC001147350944 814890165 /nfs/dbraw/zinc/89/01/65/814890165.db2.gz DQDCNLOLHVOGJJ-SCZZXKLOSA-N 1 1 296.331 -0.318 20 5 CBBDMO [NH3+][C@@H]1NCN(c2cc(Cl)ncc2[N+](=O)[O-])[C@@H]2NCN[C@H]21 ZINC001162436241 815818881 /nfs/dbraw/zinc/81/88/81/815818881.db2.gz JBXGJXYZVNCXNZ-AEJSXWLSSA-N 1 1 299.722 -0.860 20 5 CBBDMO CC[C@@H](CO)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001307803182 816808927 /nfs/dbraw/zinc/80/89/27/816808927.db2.gz APHRNRDWLUDIIM-GXSJLCMTSA-N 1 1 272.305 -0.145 20 5 CBBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](O)[C@@H](O)C2)c1 ZINC001308004772 816817726 /nfs/dbraw/zinc/81/77/26/816817726.db2.gz YNVQXCRWICINFY-ZJUUUORDSA-N 1 1 256.262 -0.781 20 5 CBBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@H](CCO)[C@H](CO)C2)c1 ZINC001308162970 816822703 /nfs/dbraw/zinc/82/27/03/816822703.db2.gz JXDJHJKIPRSBDC-QWRGUYRKSA-N 1 1 284.316 -0.286 20 5 CBBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001317997161 817061161 /nfs/dbraw/zinc/06/11/61/817061161.db2.gz SSIZHSYTGCGMIM-VHSXEESVSA-N 1 1 294.315 -0.071 20 5 CBBDMO C[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC001319607629 817225060 /nfs/dbraw/zinc/22/50/60/817225060.db2.gz OBSYNNDBDWQRTL-SECBINFHSA-N 1 1 296.331 -0.316 20 5 CBBDMO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@@H]1CO ZINC001163882267 819861386 /nfs/dbraw/zinc/86/13/86/819861386.db2.gz SPBJTIFKGWKQJP-SNVBAGLBSA-N 1 1 294.311 -0.194 20 5 CBBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@@H]1CO ZINC001163882267 819861396 /nfs/dbraw/zinc/86/13/96/819861396.db2.gz SPBJTIFKGWKQJP-SNVBAGLBSA-N 1 1 294.311 -0.194 20 5 CBBDMO NC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164491072 819916724 /nfs/dbraw/zinc/91/67/24/819916724.db2.gz ZSRUQDICVIYRBE-RKDXNWHRSA-N 1 1 284.316 -0.987 20 5 CBBDMO COc1cc(C)nc(N2CC[NH2+][C@@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC001166724464 820027120 /nfs/dbraw/zinc/02/71/20/820027120.db2.gz BGULKNXIJRBVHU-MRVPVSSYSA-N 1 1 295.299 -0.430 20 5 CBBDMO COc1nc(-n2cnc(C[NH3+])n2)nc(C)c1[N+](=O)[O-] ZINC001168749514 820171349 /nfs/dbraw/zinc/17/13/49/820171349.db2.gz KLUMMKZCDORYCK-UHFFFAOYSA-N 1 1 265.233 -0.259 20 5 CBBDMO COc1ncc([N+](=O)[O-])c(N[C@@H](N)CCC[NH3+])n1 ZINC001170896908 820334025 /nfs/dbraw/zinc/33/40/25/820334025.db2.gz BJVKGPFOOIDYIO-SSDOTTSWSA-N 1 1 256.266 -0.171 20 5 CBBDMO Cn1cc(C[N@@H+]2CCC(CO)(CO)C2)c([N+](=O)[O-])n1 ZINC001171943326 820372072 /nfs/dbraw/zinc/37/20/72/820372072.db2.gz QGXGAWNDHLQWQA-UHFFFAOYSA-N 1 1 270.289 -0.495 20 5 CBBDMO Cn1cc(C[N@H+]2CCC(CO)(CO)C2)c([N+](=O)[O-])n1 ZINC001171943326 820372084 /nfs/dbraw/zinc/37/20/84/820372084.db2.gz QGXGAWNDHLQWQA-UHFFFAOYSA-N 1 1 270.289 -0.495 20 5 CBBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC([NH2+]C3COC3)C2)n1 ZINC001179458426 820630691 /nfs/dbraw/zinc/63/06/91/820630691.db2.gz QXCGVNWXPHCOPZ-UHFFFAOYSA-N 1 1 295.299 -0.376 20 5 CBBDMO CN(CC[N@@H+](C)CCO)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001187024454 821210422 /nfs/dbraw/zinc/21/04/22/821210422.db2.gz FNXYZJPXPLMOHG-UHFFFAOYSA-N 1 1 297.315 -0.551 20 5 CBBDMO CN(C)C(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001268540924 827358640 /nfs/dbraw/zinc/35/86/40/827358640.db2.gz GMTHUZBYVKTZLM-HIHHVFROSA-N 1 1 284.316 -0.998 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC=C[C@H]2CO)c1 ZINC001175678143 884695210 /nfs/dbraw/zinc/69/52/10/884695210.db2.gz MLDUXHNVKMTHGO-GXSJLCMTSA-N 1 1 268.273 -0.615 20 5 CBBDMO Cc1cc(=O)n(Cc2noc(C[NH3+])n2)cc1[N+](=O)[O-] ZINC001326807042 885158619 /nfs/dbraw/zinc/15/86/19/885158619.db2.gz ZGIXYCBYLLGDPJ-UHFFFAOYSA-N 1 1 265.229 -0.045 20 5 CBBDMO Cc1noc(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1[N+](=O)[O-] ZINC001327535818 885393179 /nfs/dbraw/zinc/39/31/79/885393179.db2.gz SLXMYVYKAIQXIU-KNVOCYPGSA-N 1 1 280.240 -0.404 20 5 CBBDMO Cc1noc(C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1[N+](=O)[O-] ZINC001327535818 885393201 /nfs/dbraw/zinc/39/32/01/885393201.db2.gz SLXMYVYKAIQXIU-KNVOCYPGSA-N 1 1 280.240 -0.404 20 5 CBBDMO Cn1cc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CC[C@H](O)C2)n1 ZINC001330216318 886394694 /nfs/dbraw/zinc/39/46/94/886394694.db2.gz YXRZQIMVFPLGAC-QMMMGPOBSA-N 1 1 283.288 -0.875 20 5 CBBDMO C[N@H+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](CO)C1 ZINC001333428877 887635498 /nfs/dbraw/zinc/63/54/98/887635498.db2.gz LKLUVSAVKRZOSP-GFCCVEGCSA-N 1 1 296.327 -0.635 20 5 CBBDMO CN1CCN(CCn2cc([N+](=O)[O-])cn2)CC[N@@H+](C)CC1 ZINC001335245713 888466784 /nfs/dbraw/zinc/46/67/84/888466784.db2.gz ZXWJMSNFWSMHPT-UHFFFAOYSA-N 1 1 296.375 -0.030 20 5 CBBDMO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1nnnn1C ZINC001356533416 891777975 /nfs/dbraw/zinc/77/79/75/891777975.db2.gz DECWMAAWRAUMRP-IONNQARKSA-N 1 1 296.291 -0.974 20 5 CBBDMO CC(C)(CCC(=O)NC[C@@]1(CO)COCC[NH2+]1)[N+](=O)[O-] ZINC001454777344 914258619 /nfs/dbraw/zinc/25/86/19/914258619.db2.gz JEDWULJCTJWPHH-GFCCVEGCSA-N 1 1 289.332 -0.711 20 5 CBBDMO O=C(N[C@H]1C[C@H](C[NH2+]CCO)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001506883400 921634137 /nfs/dbraw/zinc/63/41/37/921634137.db2.gz GFOWNXZRKFRRBS-ZYUZMQFOSA-N 1 1 257.290 -0.872 20 5 CBBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001439895916 911308294 /nfs/dbraw/zinc/30/82/94/911308294.db2.gz UXMQYBCKQNJHNC-SECBINFHSA-N 1 1 282.304 -0.213 20 5 CBBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC([NH2+]C2COC2)C1 ZINC001472158472 915701118 /nfs/dbraw/zinc/70/11/18/915701118.db2.gz WZRCJCQQRNQXTA-UHFFFAOYSA-N 1 1 295.299 -0.701 20 5 CBBDMO Cn1nccc1CC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001480862900 916587136 /nfs/dbraw/zinc/58/71/36/916587136.db2.gz HMHOSYJZYQRSFY-VXGBXAGGSA-N 1 1 295.343 -0.324 20 5 CBBDMO Cn1nccc1CC[N@H+](C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001480862900 916587144 /nfs/dbraw/zinc/58/71/44/916587144.db2.gz HMHOSYJZYQRSFY-VXGBXAGGSA-N 1 1 295.343 -0.324 20 5 CBBDMO Cn1nccc1CC[N@@H+](C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001480862900 916587152 /nfs/dbraw/zinc/58/71/52/916587152.db2.gz HMHOSYJZYQRSFY-VXGBXAGGSA-N 1 1 295.343 -0.324 20 5 CBBDMO NC(=O)C[NH2+]CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001481998099 917028787 /nfs/dbraw/zinc/02/87/87/917028787.db2.gz JXNMLPFDBSALQI-GHMZBOCLSA-N 1 1 298.343 -0.645 20 5 CBBDMO CN(C)C(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001488729430 918763369 /nfs/dbraw/zinc/76/33/69/918763369.db2.gz HPNDIWWUWQPGFR-LMLFDSFASA-N 1 1 298.343 -0.776 20 5 CBBDMO C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC001544139059 923298257 /nfs/dbraw/zinc/29/82/57/923298257.db2.gz JHNYCYIFKPTNEV-PSASIEDQSA-N 1 1 296.331 -0.318 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]2CO)c1 ZINC000266561543 230193240 /nfs/dbraw/zinc/19/32/40/230193240.db2.gz XSIBUVVPAZYNGT-GXSJLCMTSA-N 1 1 270.289 -0.391 20 5 CBBDMO C[N@@H+](CCOCCO)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000337487384 214114643 /nfs/dbraw/zinc/11/46/43/214114643.db2.gz JHHCGEQRHZFULV-LLVKDONJSA-N 1 1 288.304 -0.907 20 5 CBBDMO CC[N@@H+](CCO)CCNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000274489676 352538978 /nfs/dbraw/zinc/53/89/78/352538978.db2.gz BPQHJYVPCDOTQV-UHFFFAOYSA-N 1 1 299.331 -0.470 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H](O)CC2)c1 ZINC000339782176 215337751 /nfs/dbraw/zinc/33/77/51/215337751.db2.gz WXKGXNOSZBQAGF-NWDGAFQWSA-N 1 1 284.316 -0.001 20 5 CBBDMO CC[N@@H+](CCO)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075714359 351670265 /nfs/dbraw/zinc/67/02/65/351670265.db2.gz CZJCPWSKSWAYGE-SNVBAGLBSA-N 1 1 258.278 -0.534 20 5 CBBDMO NS(=O)(=O)[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000339848974 215363625 /nfs/dbraw/zinc/36/36/25/215363625.db2.gz YYNRHDLYMIGLNJ-QMMMGPOBSA-N 1 1 289.317 -0.846 20 5 CBBDMO NS(=O)(=O)[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000339848974 215363627 /nfs/dbraw/zinc/36/36/27/215363627.db2.gz YYNRHDLYMIGLNJ-QMMMGPOBSA-N 1 1 289.317 -0.846 20 5 CBBDMO COCC[N@@H+](C)CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000171127102 352007701 /nfs/dbraw/zinc/00/77/01/352007701.db2.gz GCULOLAKMGCCBY-UHFFFAOYSA-N 1 1 299.331 -0.124 20 5 CBBDMO CC(C)NC(=O)C[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174708180 352049365 /nfs/dbraw/zinc/04/93/65/352049365.db2.gz PNXFGDJRFXOHRA-LLVKDONJSA-N 1 1 299.331 -0.391 20 5 CBBDMO CNC(=O)CC[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174844146 352051095 /nfs/dbraw/zinc/05/10/95/352051095.db2.gz ZKJQXLVYGWPWCM-UHFFFAOYSA-N 1 1 255.278 -0.141 20 5 CBBDMO CCCC[N@H+](CC(N)=O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173537828 352037665 /nfs/dbraw/zinc/03/76/65/352037665.db2.gz XVTQNVMAPZYHRG-NSHDSACASA-N 1 1 299.331 -0.260 20 5 CBBDMO C[C@H]1C(=O)NCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000189297775 352166802 /nfs/dbraw/zinc/16/68/02/352166802.db2.gz RBPBYAPPYNFTEC-ONGXEEELSA-N 1 1 297.315 -0.637 20 5 CBBDMO C[C@H]1C(=O)NCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000189297775 352166803 /nfs/dbraw/zinc/16/68/03/352166803.db2.gz RBPBYAPPYNFTEC-ONGXEEELSA-N 1 1 297.315 -0.637 20 5 CBBDMO [NH3+]CC(F)(F)CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000190274566 352179551 /nfs/dbraw/zinc/17/95/51/352179551.db2.gz WZVWUQNLKFXSJY-UHFFFAOYSA-N 1 1 263.204 -0.499 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H](O)C2)c1 ZINC000246692767 352337683 /nfs/dbraw/zinc/33/76/83/352337683.db2.gz IOBVTAHBCCELMF-GHMZBOCLSA-N 1 1 270.289 -0.391 20 5 CBBDMO Cc1nc(N2CC[NH2+][C@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000268521863 352452020 /nfs/dbraw/zinc/45/20/20/352452020.db2.gz VEJLSXYJLNFPKB-QMMMGPOBSA-N 1 1 265.273 -0.438 20 5 CBBDMO CC1(C)C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000279690729 352585130 /nfs/dbraw/zinc/58/51/30/352585130.db2.gz GBSAQVXVZXYOPY-QWRGUYRKSA-N 1 1 284.316 -0.145 20 5 CBBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[C@H]1O ZINC000286580536 352646900 /nfs/dbraw/zinc/64/69/00/352646900.db2.gz QEMYBLCNIUGYTB-QJPTWQEYSA-N 1 1 284.316 -0.003 20 5 CBBDMO COCC[NH+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000298690226 352713931 /nfs/dbraw/zinc/71/39/31/352713931.db2.gz NQDWHWGIJCVTRG-UHFFFAOYSA-N 1 1 297.315 -0.418 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H](O)C2)c1 ZINC000330403384 352820077 /nfs/dbraw/zinc/82/00/77/352820077.db2.gz BYJJXERTCMSEHA-ZJUUUORDSA-N 1 1 256.262 -0.781 20 5 CBBDMO CO[C@H]1C[C@@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)[N@H+](C)C1 ZINC000330575480 352851247 /nfs/dbraw/zinc/85/12/47/352851247.db2.gz OHQZKNGEUHCWFL-QWRGUYRKSA-N 1 1 297.315 -0.373 20 5 CBBDMO CO[C@H]1C[C@@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)[N@@H+](C)C1 ZINC000330575480 352851250 /nfs/dbraw/zinc/85/12/50/352851250.db2.gz OHQZKNGEUHCWFL-QWRGUYRKSA-N 1 1 297.315 -0.373 20 5 CBBDMO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000331274965 352899186 /nfs/dbraw/zinc/89/91/86/352899186.db2.gz PXINDFVFSSVFCG-VXNVDRBHSA-N 1 1 267.289 -0.058 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000338373665 353099196 /nfs/dbraw/zinc/09/91/96/353099196.db2.gz YCCQKNFJMFYFLL-UTUOFQBUSA-N 1 1 298.299 -0.748 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000338373665 353099198 /nfs/dbraw/zinc/09/91/98/353099198.db2.gz YCCQKNFJMFYFLL-UTUOFQBUSA-N 1 1 298.299 -0.748 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](CCO)CC2CC2)c1 ZINC000352469827 353486811 /nfs/dbraw/zinc/48/68/11/353486811.db2.gz ZOEQUSXEQDOEGB-LBPRGKRZSA-N 1 1 284.316 -0.144 20 5 CBBDMO Cn1c(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000358046028 353621602 /nfs/dbraw/zinc/62/16/02/353621602.db2.gz KBTCZWIFLDSBRV-LBPRGKRZSA-N 1 1 282.300 -0.270 20 5 CBBDMO CC1=CC[N@@H+](CCNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000358062982 353623532 /nfs/dbraw/zinc/62/35/32/353623532.db2.gz IMHLUMHMIKDNRK-UHFFFAOYSA-N 1 1 294.315 -0.046 20 5 CBBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405328861 353807290 /nfs/dbraw/zinc/80/72/90/353807290.db2.gz YLSPKETWGKBZML-GXSJLCMTSA-N 1 1 295.299 -0.931 20 5 CBBDMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000408152498 353859511 /nfs/dbraw/zinc/85/95/11/353859511.db2.gz AUQNKKYGDPQHIY-ZJUUUORDSA-N 1 1 294.315 -0.119 20 5 CBBDMO [NH3+]CC(F)(F)CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000417914983 353985432 /nfs/dbraw/zinc/98/54/32/353985432.db2.gz SAJOKMFCLFYRGV-UHFFFAOYSA-N 1 1 292.246 -0.316 20 5 CBBDMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000424178165 354215694 /nfs/dbraw/zinc/21/56/94/354215694.db2.gz VQOSKSGFQCOBAR-SCZZXKLOSA-N 1 1 283.288 -0.716 20 5 CBBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000445207102 354281115 /nfs/dbraw/zinc/28/11/15/354281115.db2.gz BTWBDDAQXJXPGG-LBPRGKRZSA-N 1 1 296.283 -0.508 20 5 CBBDMO CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1COC1 ZINC000451289429 354335889 /nfs/dbraw/zinc/33/58/89/354335889.db2.gz WDGSRGJFHBFCJQ-LLVKDONJSA-N 1 1 270.289 -0.127 20 5 CBBDMO CC(C)(O)C[NH+]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000548091805 354675509 /nfs/dbraw/zinc/67/55/09/354675509.db2.gz BWZSOBLKJATUTH-UHFFFAOYSA-N 1 1 297.315 -0.153 20 5 CBBDMO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[NH2+]C[C@H]1C(F)F ZINC000573565346 354914958 /nfs/dbraw/zinc/91/49/58/354914958.db2.gz FXRQLKHMDXULBA-LURJTMIESA-N 1 1 275.215 -0.003 20 5 CBBDMO C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000590044092 355073748 /nfs/dbraw/zinc/07/37/48/355073748.db2.gz GYCRAVMTCBZOMU-GXSJLCMTSA-N 1 1 279.300 -0.046 20 5 CBBDMO Cc1[nH]nc(C(=O)N2CCN(C)C[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC000592309009 355147260 /nfs/dbraw/zinc/14/72/60/355147260.db2.gz NBZCPEFHMQMWPC-MRVPVSSYSA-N 1 1 282.304 -0.659 20 5 CBBDMO COC[C@@H]1C[C@@H](O)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000593061567 355191328 /nfs/dbraw/zinc/19/13/28/355191328.db2.gz SLWRDLKAOZRQJO-VHSXEESVSA-N 1 1 270.289 -0.127 20 5 CBBDMO O=[N+]([O-])c1cnn(CCN2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000594026637 355235425 /nfs/dbraw/zinc/23/54/25/355235425.db2.gz GCWZAQAYJHSAIE-CMPLNLGQSA-N 1 1 281.316 -0.458 20 5 CBBDMO C[C@@H](O)C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000594064153 355236058 /nfs/dbraw/zinc/23/60/58/355236058.db2.gz KZRRLDACWPUBBA-BXKDBHETSA-N 1 1 284.316 -0.003 20 5 CBBDMO C[C@H](O)[C@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595765595 355305718 /nfs/dbraw/zinc/30/57/18/355305718.db2.gz JQRKEAHDYVJREI-ZMLRMANQSA-N 1 1 284.316 -0.003 20 5 CBBDMO O=C(NC[C@H]1C[N@H+]2CCN1CCC2)c1cc([N+](=O)[O-])n[nH]1 ZINC000597623597 355401991 /nfs/dbraw/zinc/40/19/91/355401991.db2.gz BFJOGXPGYPGNDW-VIFPVBQESA-N 1 1 294.315 -0.562 20 5 CBBDMO C[C@@H]([NH3+])C[C@@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599097296 355463360 /nfs/dbraw/zinc/46/33/60/355463360.db2.gz AVATUOAQHBJTEE-RNFRBKRXSA-N 1 1 291.333 -0.268 20 5 CBBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000600698984 355561434 /nfs/dbraw/zinc/56/14/34/355561434.db2.gz HECSTJNKQUFAMS-VIFPVBQESA-N 1 1 268.273 -0.281 20 5 CBBDMO Cc1n[nH]c(C(=O)NCC[N@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000600809575 355566945 /nfs/dbraw/zinc/56/69/45/355566945.db2.gz VALVALKRCBRICH-QMMMGPOBSA-N 1 1 283.288 -0.577 20 5 CBBDMO COCC[N@@H+](C)C[C@@H](O)Cn1ccnc1[N+](=O)[O-] ZINC000601966314 355623143 /nfs/dbraw/zinc/62/31/43/355623143.db2.gz ZFMMKLDKFPKXCQ-SECBINFHSA-N 1 1 258.278 -0.270 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2C[C@@H]3COC[C@@H]3C2)c1 ZINC000601973329 355623770 /nfs/dbraw/zinc/62/37/70/355623770.db2.gz KMSUOHVKUNXNAZ-UMNHJUIQSA-N 1 1 282.300 -0.270 20 5 CBBDMO Cn1cc(CN2CC[N@H+](C)C[C@H]2CO)c([N+](=O)[O-])n1 ZINC000602903170 355682606 /nfs/dbraw/zinc/68/26/06/355682606.db2.gz CESBKDRHDMKGAS-JTQLQIEISA-N 1 1 269.305 -0.563 20 5 CBBDMO Cn1cc(CN2CC[N@@H+](C)C[C@H]2CO)c([N+](=O)[O-])n1 ZINC000602903170 355682610 /nfs/dbraw/zinc/68/26/10/355682610.db2.gz CESBKDRHDMKGAS-JTQLQIEISA-N 1 1 269.305 -0.563 20 5 CBBDMO NC(=O)[C@H]1CN(c2cccnc2[N+](=O)[O-])CC[NH2+]1 ZINC000603845109 355720926 /nfs/dbraw/zinc/72/09/26/355720926.db2.gz PULSWCXNAOMNJG-SSDOTTSWSA-N 1 1 251.246 -0.747 20 5 CBBDMO C[N@H+]1CCC[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000609257910 355766741 /nfs/dbraw/zinc/76/67/41/355766741.db2.gz RXRLTBNWXDCAMK-QMMMGPOBSA-N 1 1 268.277 -0.603 20 5 CBBDMO CCNC(=O)C[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000610447458 355779014 /nfs/dbraw/zinc/77/90/14/355779014.db2.gz STBPPMHJIPVUEF-UHFFFAOYSA-N 1 1 255.278 -0.141 20 5 CBBDMO CCNC(=O)C[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000610447458 355779017 /nfs/dbraw/zinc/77/90/17/355779017.db2.gz STBPPMHJIPVUEF-UHFFFAOYSA-N 1 1 255.278 -0.141 20 5 CBBDMO NC(=O)[C@@H]1CN(c2ccncc2[N+](=O)[O-])CC[NH2+]1 ZINC000340157950 283328114 /nfs/dbraw/zinc/32/81/14/283328114.db2.gz JHPQKLMIPCRMMM-ZETCQYMHSA-N 1 1 251.246 -0.747 20 5 CBBDMO CC[N@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000341797414 216108863 /nfs/dbraw/zinc/10/88/63/216108863.db2.gz KVNYFOULJOQQAZ-VIFPVBQESA-N 1 1 282.304 -0.261 20 5 CBBDMO CC[N@H+]1CCC[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000330662290 203091398 /nfs/dbraw/zinc/09/13/98/203091398.db2.gz SHDRNJBQUCFCTO-VIFPVBQESA-N 1 1 282.304 -0.213 20 5 CBBDMO C[N@H+]1CC[C@@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000330708098 203137560 /nfs/dbraw/zinc/13/75/60/203137560.db2.gz MYIXBKOXUJHKAH-VIFPVBQESA-N 1 1 267.289 -0.141 20 5 CBBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000330804730 203256637 /nfs/dbraw/zinc/25/66/37/203256637.db2.gz LFEKFESFSDJNKC-SNVBAGLBSA-N 1 1 296.331 -0.014 20 5 CBBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000331623638 204020446 /nfs/dbraw/zinc/02/04/46/204020446.db2.gz HCOBVCJEAAOKIO-VHSXEESVSA-N 1 1 294.315 -0.071 20 5 CBBDMO CN1CCO[C@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000331755625 204127691 /nfs/dbraw/zinc/12/76/91/204127691.db2.gz HOZBFMHIENUTSA-NEPJUHHUSA-N 1 1 281.316 -0.194 20 5 CBBDMO CN1CCO[C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000331755625 204127693 /nfs/dbraw/zinc/12/76/93/204127693.db2.gz HOZBFMHIENUTSA-NEPJUHHUSA-N 1 1 281.316 -0.194 20 5 CBBDMO O=C(NC[C@@H]1CN(C2CC2)CCO1)c1n[nH]cc1[N+](=O)[O-] ZINC000158819455 372818020 /nfs/dbraw/zinc/81/80/20/372818020.db2.gz VMBSWIHHFAOSOH-SECBINFHSA-N 1 1 295.299 -0.089 20 5 CBBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285831260 372944943 /nfs/dbraw/zinc/94/49/43/372944943.db2.gz SFWHYISECGPRNW-VIFPVBQESA-N 1 1 297.315 -0.153 20 5 CBBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1COC[C@H]1O ZINC000285888003 372946608 /nfs/dbraw/zinc/94/66/08/372946608.db2.gz JVAKOYWVQAIGFC-GHMZBOCLSA-N 1 1 283.284 -0.552 20 5 CBBDMO CC[N@@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000360850810 373242521 /nfs/dbraw/zinc/24/25/21/373242521.db2.gz CXKGTJQVIRICEA-UHFFFAOYSA-N 1 1 285.304 -0.628 20 5 CBBDMO CC1(C)[C@H](O)CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000361420752 373293365 /nfs/dbraw/zinc/29/33/65/373293365.db2.gz PIZKTBPPTNTXPI-GHMZBOCLSA-N 1 1 284.316 -0.003 20 5 CBBDMO COCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000363375179 373489529 /nfs/dbraw/zinc/48/95/29/373489529.db2.gz QAZMLQCCDCGHQA-GHMZBOCLSA-N 1 1 271.317 -0.168 20 5 CBBDMO COCC[N@@H+]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000363375179 373489537 /nfs/dbraw/zinc/48/95/37/373489537.db2.gz QAZMLQCCDCGHQA-GHMZBOCLSA-N 1 1 271.317 -0.168 20 5 CBBDMO COCC[N@H+]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000363375179 373489549 /nfs/dbraw/zinc/48/95/49/373489549.db2.gz QAZMLQCCDCGHQA-GHMZBOCLSA-N 1 1 271.317 -0.168 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000376122134 248867408 /nfs/dbraw/zinc/86/74/08/248867408.db2.gz FHLQFYDFCPKAMS-MXWKQRLJSA-N 1 1 268.317 -0.842 20 5 CBBDMO C[C@H]1COCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266505581 190262344 /nfs/dbraw/zinc/26/23/44/190262344.db2.gz XMDMDWYNVNZPEV-GXSJLCMTSA-N 1 1 270.289 -0.127 20 5 CBBDMO C[C@H]1COCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266505581 190262345 /nfs/dbraw/zinc/26/23/45/190262345.db2.gz XMDMDWYNVNZPEV-GXSJLCMTSA-N 1 1 270.289 -0.127 20 5 CBBDMO C[C@H](O)CC[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266512030 190262638 /nfs/dbraw/zinc/26/26/38/190262638.db2.gz BMQQXPAEODFRPC-ONGXEEELSA-N 1 1 272.305 -0.145 20 5 CBBDMO Cn1c(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000347884311 218389251 /nfs/dbraw/zinc/38/92/51/218389251.db2.gz LQTIEHVUMSNBDX-SNVBAGLBSA-N 1 1 295.343 -0.091 20 5 CBBDMO C[N@@H+]1C[C@H]2CN(C(=O)Cn3ccc([N+](=O)[O-])n3)C[C@H]2C1 ZINC000279183387 194322608 /nfs/dbraw/zinc/32/26/08/194322608.db2.gz IYVROWDLRXXOAR-AOOOYVTPSA-N 1 1 279.300 -0.189 20 5 CBBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])[C@@H]2C1 ZINC000285642834 196353160 /nfs/dbraw/zinc/35/31/60/196353160.db2.gz FLVBLHBFVKPUGN-NXEZZACHSA-N 1 1 295.299 -0.137 20 5 CBBDMO O=[N+]([O-])c1cnc(N2CCC[N@H+](CCO)CC2)nc1 ZINC000071349616 176133564 /nfs/dbraw/zinc/13/35/64/176133564.db2.gz DCNJBTAKZSVHKE-UHFFFAOYSA-N 1 1 267.289 -0.111 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](N2CCNCC2=O)C1 ZINC000364512471 420041851 /nfs/dbraw/zinc/04/18/51/420041851.db2.gz XLFYTUVQUGYDSZ-HBNTYKKESA-N 1 1 296.327 -0.926 20 5 CBBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)[C@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000364934177 420049718 /nfs/dbraw/zinc/04/97/18/420049718.db2.gz JTMDTBDFLXIOIN-OUAUKWLOSA-N 1 1 271.317 -0.433 20 5 CBBDMO C[C@H](CO)[N@@H+]1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000364934177 420049723 /nfs/dbraw/zinc/04/97/23/420049723.db2.gz JTMDTBDFLXIOIN-OUAUKWLOSA-N 1 1 271.317 -0.433 20 5 CBBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000364934177 420049726 /nfs/dbraw/zinc/04/97/26/420049726.db2.gz JTMDTBDFLXIOIN-OUAUKWLOSA-N 1 1 271.317 -0.433 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@](O)(C3CC3)C2)c1 ZINC000365851940 420071920 /nfs/dbraw/zinc/07/19/20/420071920.db2.gz XQDDKFZPPAVKDZ-QWHCGFSZSA-N 1 1 296.327 -0.001 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2C[C@H](O)C3(CC3)C2)c1 ZINC000368787688 420143479 /nfs/dbraw/zinc/14/34/79/420143479.db2.gz ZHILTRASWCRVFB-QWRGUYRKSA-N 1 1 282.300 -0.391 20 5 CBBDMO C[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)C[C@H](C)[N@H+]1CCO ZINC000450789757 420298706 /nfs/dbraw/zinc/29/87/06/420298706.db2.gz JNUNMFHTTZXUBT-DTORHVGOSA-N 1 1 296.331 -0.142 20 5 CBBDMO C[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)C[C@H](C)[N@@H+]1CCO ZINC000450789757 420298709 /nfs/dbraw/zinc/29/87/09/420298709.db2.gz JNUNMFHTTZXUBT-DTORHVGOSA-N 1 1 296.331 -0.142 20 5 CBBDMO CCc1nn(C)c(N2CC[NH2+][C@@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000288178482 276700252 /nfs/dbraw/zinc/70/02/52/276700252.db2.gz QXERBONBHXDVFR-MRVPVSSYSA-N 1 1 282.304 -0.846 20 5 CBBDMO CNC(=O)CC[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176228033 277226175 /nfs/dbraw/zinc/22/61/75/277226175.db2.gz IGESQQGTXDUMCG-UHFFFAOYSA-N 1 1 255.278 -0.141 20 5 CBBDMO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1n[nH]cc1[N+](=O)[O-] ZINC000560508107 327316314 /nfs/dbraw/zinc/31/63/14/327316314.db2.gz RKQMHXPOPXRJQO-LBPRGKRZSA-N 1 1 295.299 -0.496 20 5 CBBDMO O=[N+]([O-])c1cc(C[NH2+]C(CO)CO)c2c(c1)COCO2 ZINC000568783920 334841040 /nfs/dbraw/zinc/84/10/40/334841040.db2.gz GNSXYOCGPCGQEC-UHFFFAOYSA-N 1 1 284.268 -0.096 20 5 CBBDMO O=C(C[N@@H+]1CCCN(CC[N+](=O)[O-])CC1)N1CCCC1 ZINC000791054791 582392385 /nfs/dbraw/zinc/39/23/85/582392385.db2.gz XVRLJDNLUKIUCO-UHFFFAOYSA-N 1 1 284.360 -0.107 20 5 CBBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc([N+](=O)[O-])n[nH]1 ZINC000795849760 582410758 /nfs/dbraw/zinc/41/07/58/582410758.db2.gz ADBUUNHFRSODGK-BDAKNGLRSA-N 1 1 295.299 -0.089 20 5 CBBDMO NC(=O)[C@@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000804338128 582429973 /nfs/dbraw/zinc/42/99/73/582429973.db2.gz UJTBXKZUQGUPAA-ZETCQYMHSA-N 1 1 295.255 -0.234 20 5 CBBDMO COCC[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839526014 583156361 /nfs/dbraw/zinc/15/63/61/583156361.db2.gz BPFDACVCVYEWNV-NXEZZACHSA-N 1 1 259.306 -0.264 20 5 CBBDMO COCC[N@H+](C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839526014 583156363 /nfs/dbraw/zinc/15/63/63/583156363.db2.gz BPFDACVCVYEWNV-NXEZZACHSA-N 1 1 259.306 -0.264 20 5 CBBDMO COCC[N@@H+](C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839526014 583156364 /nfs/dbraw/zinc/15/63/64/583156364.db2.gz BPFDACVCVYEWNV-NXEZZACHSA-N 1 1 259.306 -0.264 20 5 CBBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839605122 583156881 /nfs/dbraw/zinc/15/68/81/583156881.db2.gz JCZRKHNBUPKMLK-LMLFDSFASA-N 1 1 269.301 -0.369 20 5 CBBDMO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1CC1[N+](=O)[O-] ZINC000839605122 583156883 /nfs/dbraw/zinc/15/68/83/583156883.db2.gz JCZRKHNBUPKMLK-LMLFDSFASA-N 1 1 269.301 -0.369 20 5 CBBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1CC1[N+](=O)[O-] ZINC000839605122 583156884 /nfs/dbraw/zinc/15/68/84/583156884.db2.gz JCZRKHNBUPKMLK-LMLFDSFASA-N 1 1 269.301 -0.369 20 5 CBBDMO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000839730667 583158661 /nfs/dbraw/zinc/15/86/61/583158661.db2.gz HZLWVGOCVVATNI-GMTAPVOTSA-N 1 1 285.344 -0.045 20 5 CBBDMO C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000839730667 583158662 /nfs/dbraw/zinc/15/86/62/583158662.db2.gz HZLWVGOCVVATNI-GMTAPVOTSA-N 1 1 285.344 -0.045 20 5 CBBDMO C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000839730667 583158665 /nfs/dbraw/zinc/15/86/65/583158665.db2.gz HZLWVGOCVVATNI-GMTAPVOTSA-N 1 1 285.344 -0.045 20 5 CBBDMO Nc1ccc(C(=O)NCC[N@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000863830857 583859055 /nfs/dbraw/zinc/85/90/55/583859055.db2.gz YDVBJFTWUQWYLT-JTQLQIEISA-N 1 1 294.311 -0.027 20 5 CBBDMO Cn1cnc([N+](=O)[O-])c1N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000872757683 584062916 /nfs/dbraw/zinc/06/29/16/584062916.db2.gz FHPXFTRYGZAKDG-VHSXEESVSA-N 1 1 281.316 -0.026 20 5 CBBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889750695 584535557 /nfs/dbraw/zinc/53/55/57/584535557.db2.gz QFKCHYBJFAZLGE-WRWGMCAJSA-N 1 1 283.328 -0.291 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889750695 584535558 /nfs/dbraw/zinc/53/55/58/584535558.db2.gz QFKCHYBJFAZLGE-WRWGMCAJSA-N 1 1 283.328 -0.291 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889750695 584535560 /nfs/dbraw/zinc/53/55/60/584535560.db2.gz QFKCHYBJFAZLGE-WRWGMCAJSA-N 1 1 283.328 -0.291 20 5 CBBDMO C[C@H](O)C[NH+]1CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC000892316747 584615133 /nfs/dbraw/zinc/61/51/33/584615133.db2.gz WHFPLSYTIJPFRJ-VIFPVBQESA-N 1 1 269.305 -0.169 20 5 CBBDMO Cn1ncc([N+](=O)[O-])c1N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000894430155 584657971 /nfs/dbraw/zinc/65/79/71/584657971.db2.gz RMUXZWFUYXBLAD-DTWKUNHWSA-N 1 1 267.289 -0.417 20 5 CBBDMO O=C(NC1CC[NH+](CCO)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002786561 656841411 /nfs/dbraw/zinc/84/14/11/656841411.db2.gz BOHNJEKGLAJXBX-NXEZZACHSA-N 1 1 257.290 -0.776 20 5 CBBDMO CN(CC[N@@H+](C)CCO)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000912608161 657297724 /nfs/dbraw/zinc/29/77/24/657297724.db2.gz RXHMERDIIZIUEU-UHFFFAOYSA-N 1 1 282.300 -0.014 20 5 CBBDMO NC(=O)C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000918691073 657835640 /nfs/dbraw/zinc/83/56/40/657835640.db2.gz FIEVFYYIJAUAJF-UHFFFAOYSA-N 1 1 295.299 -0.398 20 5 CBBDMO Cn1nccc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001020138995 658017203 /nfs/dbraw/zinc/01/72/03/658017203.db2.gz LVFASTPXVUTQAU-CNVPUSNMSA-N 1 1 293.327 -0.178 20 5 CBBDMO O=C(NC1CC2(C1)CC([NH2+]CCO)C2)[C@@H]1CC1[N+](=O)[O-] ZINC000963791910 658867806 /nfs/dbraw/zinc/86/78/06/658867806.db2.gz VEISADDVXVAISQ-GYEOWSFSSA-N 1 1 283.328 -0.339 20 5 CBBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(CC[N+](=O)[O-])CC1 ZINC000930073209 659202258 /nfs/dbraw/zinc/20/22/58/659202258.db2.gz XEQMWOYOBIMLCF-NSHDSACASA-N 1 1 270.333 -0.323 20 5 CBBDMO COC(=O)CC[N@H+]1CCN(CC[N+](=O)[O-])[C@H](C)C1 ZINC000930237755 659236552 /nfs/dbraw/zinc/23/65/52/659236552.db2.gz WHLRJRZOQOOTLE-SNVBAGLBSA-N 1 1 259.306 -0.168 20 5 CBBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](CCCO)C2 ZINC000981764145 659330080 /nfs/dbraw/zinc/33/00/80/659330080.db2.gz OIDOEDAYDGEOAJ-VXGBXAGGSA-N 1 1 297.355 -0.042 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCC[N@@H+](CCCO)C2 ZINC000981764145 659330086 /nfs/dbraw/zinc/33/00/86/659330086.db2.gz OIDOEDAYDGEOAJ-VXGBXAGGSA-N 1 1 297.355 -0.042 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](CCCO)C2 ZINC000981764145 659330093 /nfs/dbraw/zinc/33/00/93/659330093.db2.gz OIDOEDAYDGEOAJ-VXGBXAGGSA-N 1 1 297.355 -0.042 20 5 CBBDMO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cn2)C[C@@H]1CO ZINC000687591393 790656068 /nfs/dbraw/zinc/65/60/68/790656068.db2.gz XBVCCMFTLWRPFB-SECBINFHSA-N 1 1 253.262 -0.503 20 5 CBBDMO C[N@H+]1CCN(c2ncc([N+](=O)[O-])cn2)C[C@@H]1CO ZINC000687591393 790656071 /nfs/dbraw/zinc/65/60/71/790656071.db2.gz XBVCCMFTLWRPFB-SECBINFHSA-N 1 1 253.262 -0.503 20 5 CBBDMO C[N@H+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1CO ZINC000828724117 790890633 /nfs/dbraw/zinc/89/06/33/790890633.db2.gz FHOMOAMISCFTQT-GFCCVEGCSA-N 1 1 296.327 -0.635 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1 ZINC001117682797 812431377 /nfs/dbraw/zinc/43/13/77/812431377.db2.gz ICGRWMCOYHNZMN-WYUUTHIRSA-N 1 1 282.300 -0.678 20 5 CBBDMO COCCO[C@@H]1C[C@H](CO)C[N@H+](CC[N+](=O)[O-])C1 ZINC001119855044 812897447 /nfs/dbraw/zinc/89/74/47/812897447.db2.gz LYELNJURTPXHHN-WDEREUQCSA-N 1 1 262.306 -0.391 20 5 CBBDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](CC[N+](=O)[O-])C1 ZINC001119855044 812897455 /nfs/dbraw/zinc/89/74/55/812897455.db2.gz LYELNJURTPXHHN-WDEREUQCSA-N 1 1 262.306 -0.391 20 5 CBBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)CCO ZINC001155245117 815273090 /nfs/dbraw/zinc/27/30/90/815273090.db2.gz YVRHHPZDNXULNK-UHFFFAOYSA-N 1 1 270.289 -0.413 20 5 CBBDMO Cc1nc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)ncc1[N+](=O)[O-] ZINC001155578826 815297683 /nfs/dbraw/zinc/29/76/83/815297683.db2.gz BWAYSKURSDVBAJ-LDYMZIIASA-N 1 1 278.272 -0.317 20 5 CBBDMO N=c1cc(C[NH3+])ncn1-c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001156621106 815369618 /nfs/dbraw/zinc/36/96/18/815369618.db2.gz SLUJLUKVFZDKQV-UHFFFAOYSA-N 1 1 262.229 -0.648 20 5 CBBDMO Cc1nc(-n2cnc(C[NH3+])cc2=N)ncc1[N+](=O)[O-] ZINC001156628418 815371506 /nfs/dbraw/zinc/37/15/06/815371506.db2.gz RVEGYBIYNCNWKT-UHFFFAOYSA-N 1 1 261.245 -0.183 20 5 CBBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CC([NH2+]C3COC3)C2)n1 ZINC001157602287 815447327 /nfs/dbraw/zinc/44/73/27/815447327.db2.gz UKHPQKSJMZDXHO-UHFFFAOYSA-N 1 1 281.272 -0.859 20 5 CBBDMO CC[C@@]([NH3+])(CO)Nc1ncnc(OC)c1[N+](=O)[O-] ZINC001159744717 815591399 /nfs/dbraw/zinc/59/13/99/815591399.db2.gz ZPAFKCHCNUDVTD-VIFPVBQESA-N 1 1 257.250 -0.137 20 5 CBBDMO COc1nc(-n2cnc(C[NH3+])n2)nc(OC)c1[N+](=O)[O-] ZINC001157928134 815484239 /nfs/dbraw/zinc/48/42/39/815484239.db2.gz BZZBTONZRJQXFO-UHFFFAOYSA-N 1 1 281.232 -0.559 20 5 CBBDMO C[N@H+]1CC[C@@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC001116028389 812213780 /nfs/dbraw/zinc/21/37/80/812213780.db2.gz PQIIRPKVHZWQKR-QMMMGPOBSA-N 1 1 268.277 -0.746 20 5 CBBDMO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ncnn1C ZINC001118090533 812469450 /nfs/dbraw/zinc/46/94/50/812469450.db2.gz LQRIYBBHAQYWCF-PSASIEDQSA-N 1 1 295.303 -0.369 20 5 CBBDMO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ncnn1C ZINC001118090539 812469635 /nfs/dbraw/zinc/46/96/35/812469635.db2.gz LQRIYBBHAQYWCF-WPRPVWTQSA-N 1 1 295.303 -0.369 20 5 CBBDMO C[NH2+]C[C@H](C)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001118808219 812632295 /nfs/dbraw/zinc/63/22/95/812632295.db2.gz OYHYMTWAMLKWLC-ZETCQYMHSA-N 1 1 291.333 -0.538 20 5 CBBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCCC[NH3+])n1 ZINC001118807056 812632379 /nfs/dbraw/zinc/63/23/79/812632379.db2.gz DZCPJYPJFMAYGN-UHFFFAOYSA-N 1 1 277.306 -0.655 20 5 CBBDMO COc1nc(N[C@@H](N)CCC[NH3+])ncc1[N+](=O)[O-] ZINC001159779434 815594637 /nfs/dbraw/zinc/59/46/37/815594637.db2.gz GVJXVMPEPKAQRH-SSDOTTSWSA-N 1 1 256.266 -0.171 20 5 CBBDMO CCOCC(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001123014319 813205397 /nfs/dbraw/zinc/20/53/97/813205397.db2.gz MPYBYHNULKJAJH-UHFFFAOYSA-N 1 1 285.304 -0.429 20 5 CBBDMO COCCCC(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001124089079 813404413 /nfs/dbraw/zinc/40/44/13/813404413.db2.gz RZZKWPXMQRWJIN-UHFFFAOYSA-N 1 1 299.331 -0.039 20 5 CBBDMO CN(CC1CC1)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126932148 813694514 /nfs/dbraw/zinc/69/45/14/813694514.db2.gz JJOREVFFUHZHQB-GHMZBOCLSA-N 1 1 298.343 -0.774 20 5 CBBDMO Cn1cncc1C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126932426 813695895 /nfs/dbraw/zinc/69/58/95/813695895.db2.gz XIZADFGWWUCWNT-NXEZZACHSA-N 1 1 267.289 -0.709 20 5 CBBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001130097943 813907984 /nfs/dbraw/zinc/90/79/84/813907984.db2.gz IKOIWZWUNOFUDR-VIFPVBQESA-N 1 1 282.304 -0.261 20 5 CBBDMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001142518922 814715129 /nfs/dbraw/zinc/71/51/29/814715129.db2.gz HZWYYLXEAPGUNJ-IUCAKERBSA-N 1 1 297.315 -0.155 20 5 CBBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001142518922 814715138 /nfs/dbraw/zinc/71/51/38/814715138.db2.gz HZWYYLXEAPGUNJ-IUCAKERBSA-N 1 1 297.315 -0.155 20 5 CBBDMO Cc1c(C)c(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)ncc1[N+](=O)[O-] ZINC001162438807 815823014 /nfs/dbraw/zinc/82/30/14/815823014.db2.gz HVXZSJWFYIITPF-JBLDHEPKSA-N 1 1 293.331 -0.896 20 5 CBBDMO C[NH+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001295202976 816560642 /nfs/dbraw/zinc/56/06/42/816560642.db2.gz XHOCQXALYXJFIX-LMLFDSFASA-N 1 1 298.343 -0.633 20 5 CBBDMO C[N@@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H](CO)C1 ZINC001301605512 816750385 /nfs/dbraw/zinc/75/03/85/816750385.db2.gz PGBRPDKFNWEGCF-LLVKDONJSA-N 1 1 297.315 -0.684 20 5 CBBDMO C[N@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H](CO)C1 ZINC001301605512 816750390 /nfs/dbraw/zinc/75/03/90/816750390.db2.gz PGBRPDKFNWEGCF-LLVKDONJSA-N 1 1 297.315 -0.684 20 5 CBBDMO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@H](CO)[C@H](CCO)C2)c1 ZINC001308162968 816822518 /nfs/dbraw/zinc/82/25/18/816822518.db2.gz JXDJHJKIPRSBDC-GHMZBOCLSA-N 1 1 284.316 -0.286 20 5 CBBDMO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC001319613023 817225379 /nfs/dbraw/zinc/22/53/79/817225379.db2.gz ZYUJOXXMBDBSEQ-MRVPVSSYSA-N 1 1 282.304 -0.707 20 5 CBBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC001319613023 817225384 /nfs/dbraw/zinc/22/53/84/817225384.db2.gz ZYUJOXXMBDBSEQ-MRVPVSSYSA-N 1 1 282.304 -0.707 20 5 CBBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)n1 ZINC001320222553 817296900 /nfs/dbraw/zinc/29/69/00/817296900.db2.gz BEXKOWWXFHXYDK-NSHDSACASA-N 1 1 283.288 -0.875 20 5 CBBDMO NC(=O)[C@H]1CN(c2ncc(F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001166724677 820025606 /nfs/dbraw/zinc/02/56/06/820025606.db2.gz WRHUKJKSSUKZSD-SSDOTTSWSA-N 1 1 269.236 -0.608 20 5 CBBDMO Cc1c(C)c(N2CC[NH2+][C@H](C(N)=O)C2)ncc1[N+](=O)[O-] ZINC001166724817 820027448 /nfs/dbraw/zinc/02/74/48/820027448.db2.gz GTSMKWUQLIHSLR-VIFPVBQESA-N 1 1 279.300 -0.130 20 5 CBBDMO COc1ncc([N+](=O)[O-])c(-n2cnc(C[NH3+])cc2=N)n1 ZINC001167351281 820083089 /nfs/dbraw/zinc/08/30/89/820083089.db2.gz LTAJGOXNZDTDRG-UHFFFAOYSA-N 1 1 277.244 -0.483 20 5 CBBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)CC[N@@H+](C)CCO ZINC001168349059 820159486 /nfs/dbraw/zinc/15/94/86/820159486.db2.gz IQBNYWDONMMGMM-UHFFFAOYSA-N 1 1 299.331 -0.518 20 5 CBBDMO CC[C@]([NH3+])(CO)Nc1c(F)c([N+](=O)[O-])cc[n+]1[O-] ZINC001170858202 820327944 /nfs/dbraw/zinc/32/79/44/820327944.db2.gz KAOPVZLKYVDYCO-SECBINFHSA-N 1 1 260.225 -0.164 20 5 CBBDMO CN(C)C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001200462318 824320022 /nfs/dbraw/zinc/32/00/22/824320022.db2.gz WPNXBRNJASRPAZ-GHMZBOCLSA-N 1 1 298.343 -0.680 20 5 CBBDMO C[N@H+]1CC[C@@H]1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001223646666 825231627 /nfs/dbraw/zinc/23/16/27/825231627.db2.gz LNEZOELVRJLCCE-SECBINFHSA-N 1 1 282.304 -0.205 20 5 CBBDMO C[N@H+]1CC[C@H]1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001223646673 825231673 /nfs/dbraw/zinc/23/16/73/825231673.db2.gz LNEZOELVRJLCCE-VIFPVBQESA-N 1 1 282.304 -0.205 20 5 CBBDMO C[N+](C)(C)C[C@H](O)CC(=O)Oc1[nH]c(=O)nc2c1COC2 ZINC001227691886 825308972 /nfs/dbraw/zinc/30/89/72/825308972.db2.gz XUATVLLNMIMIRD-MRVPVSSYSA-O 1 1 298.319 -0.425 20 5 CBBDMO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc(F)nc2nc[nH]c21 ZINC001234686264 825477194 /nfs/dbraw/zinc/47/71/94/825477194.db2.gz CDZAGQPGLLRELK-SSDOTTSWSA-N 1 1 298.298 -0.145 20 5 CBBDMO COC(=O)[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1N ZINC001246935735 825733931 /nfs/dbraw/zinc/73/39/31/825733931.db2.gz YJRQTNRGJNEHQA-DBIOUOCHSA-N 1 1 271.317 -0.136 20 5 CBBDMO COC(=O)[C@@H]1CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1[NH3+] ZINC001246935735 825733935 /nfs/dbraw/zinc/73/39/35/825733935.db2.gz YJRQTNRGJNEHQA-DBIOUOCHSA-N 1 1 271.317 -0.136 20 5 CBBDMO COC(=O)[C@@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1N ZINC001246935740 825734205 /nfs/dbraw/zinc/73/42/05/825734205.db2.gz YJRQTNRGJNEHQA-ZDCRXTMVSA-N 1 1 271.317 -0.136 20 5 CBBDMO COC(=O)[C@@H]1CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1[NH3+] ZINC001246935740 825734214 /nfs/dbraw/zinc/73/42/14/825734214.db2.gz YJRQTNRGJNEHQA-ZDCRXTMVSA-N 1 1 271.317 -0.136 20 5 CBBDMO CCC[NH+]1CCN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001266283857 826972500 /nfs/dbraw/zinc/97/25/00/826972500.db2.gz XLHXDIGDROWLPC-VXGBXAGGSA-N 1 1 284.360 -0.205 20 5 CBBDMO CCN(CC[NH2+]CC(=O)N1CCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001268450351 827332313 /nfs/dbraw/zinc/33/23/13/827332313.db2.gz UIHBRZQJQJDAMZ-GHMZBOCLSA-N 1 1 298.343 -0.678 20 5 CBBDMO CCN(CC[NH2+]CCCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001273375221 827896279 /nfs/dbraw/zinc/89/62/79/827896279.db2.gz QTLOZJQSDZIGOP-NXEZZACHSA-N 1 1 259.306 -0.528 20 5 CBBDMO Cc1noc(C[NH+]2C[C@@H](CO)[C@H](CO)C2)c1[N+](=O)[O-] ZINC001331628388 886872015 /nfs/dbraw/zinc/87/20/15/886872015.db2.gz HPKXTJALJFRZJJ-IUCAKERBSA-N 1 1 271.273 -0.076 20 5 CBBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1[nH]ncc1[N+](=O)[O-] ZINC001331883311 887029750 /nfs/dbraw/zinc/02/97/50/887029750.db2.gz QGQSKEFDNXSILS-ZETCQYMHSA-N 1 1 269.261 -0.886 20 5 CBBDMO Cc1nc(N2CC[N@@H+](C)[C@@H](CO)C2)ncc1[N+](=O)[O-] ZINC001335542349 888559371 /nfs/dbraw/zinc/55/93/71/888559371.db2.gz GICRPKWRYUGUKG-SECBINFHSA-N 1 1 267.289 -0.194 20 5 CBBDMO Cc1nc(N2CC[N@H+](C)[C@@H](CO)C2)ncc1[N+](=O)[O-] ZINC001335542349 888559385 /nfs/dbraw/zinc/55/93/85/888559385.db2.gz GICRPKWRYUGUKG-SECBINFHSA-N 1 1 267.289 -0.194 20 5 CBBDMO C[N@@H+]1CC[C@@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001340178219 889401912 /nfs/dbraw/zinc/40/19/12/889401912.db2.gz FBJYXFQQJJKMAU-SECBINFHSA-N 1 1 280.284 -0.423 20 5 CBBDMO C[N@H+]1CC[C@@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001340178219 889401924 /nfs/dbraw/zinc/40/19/24/889401924.db2.gz FBJYXFQQJJKMAU-SECBINFHSA-N 1 1 280.284 -0.423 20 5 CBBDMO CCn1c(C[N+](=O)[O-])nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001340990599 889530578 /nfs/dbraw/zinc/53/05/78/889530578.db2.gz AKZBDSLQSLJANE-SNVBAGLBSA-N 1 1 296.331 -0.405 20 5 CBBDMO CCn1c(C[N+](=O)[O-])nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001340990599 889530589 /nfs/dbraw/zinc/53/05/89/889530589.db2.gz AKZBDSLQSLJANE-SNVBAGLBSA-N 1 1 296.331 -0.405 20 5 CBBDMO CCOCC[NH+]1CCN(c2nnc(C[N+](=O)[O-])n2C)CC1 ZINC001341370993 889584134 /nfs/dbraw/zinc/58/41/34/889584134.db2.gz GHSAPAXUCMLBTI-UHFFFAOYSA-N 1 1 298.347 -0.250 20 5 CBBDMO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001348511645 890637979 /nfs/dbraw/zinc/63/79/79/890637979.db2.gz SZBDFYRYGHSXPS-MRVPVSSYSA-N 1 1 282.304 -0.707 20 5 CBBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001348511645 890637985 /nfs/dbraw/zinc/63/79/85/890637985.db2.gz SZBDFYRYGHSXPS-MRVPVSSYSA-N 1 1 282.304 -0.707 20 5 CBBDMO O=c1[nH]ccc(N2CC([N@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC001350491093 890994968 /nfs/dbraw/zinc/99/49/68/890994968.db2.gz WZKUBDSOUBPQRB-SECBINFHSA-N 1 1 280.284 -0.049 20 5 CBBDMO C[NH2+]C[C@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001350908264 891064525 /nfs/dbraw/zinc/06/45/25/891064525.db2.gz CAIRCBPLKBETHL-PWSUYJOCSA-N 1 1 283.332 -0.307 20 5 CBBDMO C[NH2+]C[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001350908262 891064709 /nfs/dbraw/zinc/06/47/09/891064709.db2.gz CAIRCBPLKBETHL-JQWIXIFHSA-N 1 1 283.332 -0.307 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC([NH2+]C2CCOCC2)C1 ZINC001455794766 914411797 /nfs/dbraw/zinc/41/17/97/914411797.db2.gz HLHKODHSBTZJFC-GHMZBOCLSA-N 1 1 269.301 -0.369 20 5 CBBDMO Cn1cc(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c([N+](=O)[O-])n1 ZINC001460136935 914765390 /nfs/dbraw/zinc/76/53/90/914765390.db2.gz UQOGFZBLSSGIEV-OCAPTIKFSA-N 1 1 279.256 -0.967 20 5 CBBDMO Cn1cc(C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c([N+](=O)[O-])n1 ZINC001460136935 914765399 /nfs/dbraw/zinc/76/53/99/914765399.db2.gz UQOGFZBLSSGIEV-OCAPTIKFSA-N 1 1 279.256 -0.967 20 5 CBBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@H](CO)[C@H](O)C2)c1 ZINC001460220869 914772573 /nfs/dbraw/zinc/77/25/73/914772573.db2.gz MMWZMIXUJVITPL-PSASIEDQSA-N 1 1 256.262 -0.924 20 5 CBBDMO Cn1cc(C[NH+]2C[C@@H](CO)[C@H](CO)C2)c([N+](=O)[O-])n1 ZINC001460523420 914794104 /nfs/dbraw/zinc/79/41/04/914794104.db2.gz YNJLPLHLILRYHM-UWVGGRQHSA-N 1 1 270.289 -0.639 20 5 CBBDMO CC[N@@H+]1CCO[C@H](C(=O)Nc2cc([N+](=O)[O-])n[nH]2)C1 ZINC001471840959 915645471 /nfs/dbraw/zinc/64/54/71/915645471.db2.gz BUKLDVDERUWNBT-ZETCQYMHSA-N 1 1 269.261 -0.023 20 5 CBBDMO CC[N@H+]1CCO[C@H](C(=O)Nc2cc([N+](=O)[O-])n[nH]2)C1 ZINC001471840959 915645479 /nfs/dbraw/zinc/64/54/79/915645479.db2.gz BUKLDVDERUWNBT-ZETCQYMHSA-N 1 1 269.261 -0.023 20 5 CBBDMO NC(=O)[C@H]1CN(c2cc(F)c([N+](=O)[O-])cc2CO)CC[NH2+]1 ZINC001472648230 915758238 /nfs/dbraw/zinc/75/82/38/915758238.db2.gz BCTUQNXNVLREFG-SECBINFHSA-N 1 1 298.274 -0.510 20 5 CBBDMO NC(=O)[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1C(N)=O ZINC001473643584 915845911 /nfs/dbraw/zinc/84/59/11/915845911.db2.gz TVTQUAHWNJFQPM-AOOOYVTPSA-N 1 1 292.295 -0.387 20 5 CBBDMO Cn1cc(C[N@H+]2C[C@H](CO)[C@H](CCO)C2)c([N+](=O)[O-])n1 ZINC001473894409 915877260 /nfs/dbraw/zinc/87/72/60/915877260.db2.gz XGDFYTVPEQTUAO-MWLCHTKSSA-N 1 1 284.316 -0.249 20 5 CBBDMO NC(=O)C(=O)NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001481642545 916925792 /nfs/dbraw/zinc/92/57/92/916925792.db2.gz IAQBKARAJWWADV-UHFFFAOYSA-N 1 1 292.295 -0.372 20 5 CBBDMO NC(=O)C(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001483763828 917672701 /nfs/dbraw/zinc/67/27/01/917672701.db2.gz VFTWNMJGSRELML-UHFFFAOYSA-N 1 1 298.324 -0.120 20 5 CBBDMO COCC[NH2+]C/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001497584163 920343472 /nfs/dbraw/zinc/34/34/72/920343472.db2.gz OPCVNNMRKUAQCI-JAFKPYBISA-N 1 1 257.290 -0.440 20 5 CBBDMO O=C(CNC(=O)[C@@H]1CC1[N+](=O)[O-])NCC[NH+]1CCCCC1 ZINC001556608227 924068928 /nfs/dbraw/zinc/06/89/28/924068928.db2.gz FNFAPYKDTOSUBF-GHMZBOCLSA-N 1 1 298.343 -0.630 20 5 CBBDMO C[C@@H](O)C[N@@H+](CCO)CCn1ccc([N+](=O)[O-])n1 ZINC000351936887 219255026 /nfs/dbraw/zinc/25/50/26/219255026.db2.gz MWCBIPFMQDILCL-SECBINFHSA-N 1 1 258.278 -0.534 20 5 CBBDMO C[NH+](C)CC[C@](C)(O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000352119219 219327424 /nfs/dbraw/zinc/32/74/24/219327424.db2.gz CTUHLPMZTBNEKS-NSHDSACASA-N 1 1 285.304 -0.250 20 5 CBBDMO Cn1cnc([N+](=O)[O-])c1N1CC[NH+](CCCO)CC1 ZINC000060127147 351564416 /nfs/dbraw/zinc/56/44/16/351564416.db2.gz GTZCFGZTCZHKPI-UHFFFAOYSA-N 1 1 269.305 -0.167 20 5 CBBDMO C[NH+](C)CCN1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000077455515 351681246 /nfs/dbraw/zinc/68/12/46/351681246.db2.gz SCUCLBZRTLYFPD-NEPJUHHUSA-N 1 1 284.360 -0.253 20 5 CBBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC(C)(C)O ZINC000075746098 351671237 /nfs/dbraw/zinc/67/12/37/351671237.db2.gz GCXZQCZBCAFYFG-SNVBAGLBSA-N 1 1 272.305 -0.145 20 5 CBBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](O)C1 ZINC000090526207 351740651 /nfs/dbraw/zinc/74/06/51/351740651.db2.gz MFSIIPOHSDZWMB-JTQLQIEISA-N 1 1 253.258 -0.177 20 5 CBBDMO CC(C)NC(=O)C[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174708168 352049156 /nfs/dbraw/zinc/04/91/56/352049156.db2.gz PNXFGDJRFXOHRA-NSHDSACASA-N 1 1 299.331 -0.391 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H](O)C2)c1 ZINC000174649576 352049320 /nfs/dbraw/zinc/04/93/20/352049320.db2.gz IOBVTAHBCCELMF-QWRGUYRKSA-N 1 1 270.289 -0.391 20 5 CBBDMO C[C@@H]1C(=O)NCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000189297755 352167067 /nfs/dbraw/zinc/16/70/67/352167067.db2.gz RBPBYAPPYNFTEC-KOLCDFICSA-N 1 1 297.315 -0.637 20 5 CBBDMO C[C@@H]1C(=O)NCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000189297755 352167069 /nfs/dbraw/zinc/16/70/69/352167069.db2.gz RBPBYAPPYNFTEC-KOLCDFICSA-N 1 1 297.315 -0.637 20 5 CBBDMO C[N@H+]1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000193130706 352203155 /nfs/dbraw/zinc/20/31/55/352203155.db2.gz YTYDFEGRQJGKLB-UHFFFAOYSA-N 1 1 267.289 -0.045 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H](O)C2)c1 ZINC000246692789 352337266 /nfs/dbraw/zinc/33/72/66/352337266.db2.gz IOBVTAHBCCELMF-MNOVXSKESA-N 1 1 270.289 -0.391 20 5 CBBDMO NC(=O)C[C@@H]([NH3+])C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000269585782 352474967 /nfs/dbraw/zinc/47/49/67/352474967.db2.gz CGLIHFPXEUKTCL-MRVPVSSYSA-N 1 1 295.299 -0.674 20 5 CBBDMO CC[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1O ZINC000271011000 352507282 /nfs/dbraw/zinc/50/72/82/352507282.db2.gz ZTRCZUQHSIEYRD-ADEWGFFLSA-N 1 1 284.316 -0.145 20 5 CBBDMO C[C@H](O)C[NH+]1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000274979434 352550430 /nfs/dbraw/zinc/55/04/30/352550430.db2.gz BLFMGZPRJLNRCF-VIFPVBQESA-N 1 1 269.305 -0.169 20 5 CBBDMO Cc1n[nH]c(C(=O)NCC(F)(F)C[NH3+])c1[N+](=O)[O-] ZINC000275176993 352554759 /nfs/dbraw/zinc/55/47/59/352554759.db2.gz VMDSPFAPNLBKLO-UHFFFAOYSA-N 1 1 263.204 -0.050 20 5 CBBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H](O)C1CC1 ZINC000304788100 352747256 /nfs/dbraw/zinc/74/72/56/352747256.db2.gz QBJUAQXSWKBRAO-NWDGAFQWSA-N 1 1 284.316 -0.145 20 5 CBBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000305764401 352750941 /nfs/dbraw/zinc/75/09/41/352750941.db2.gz PHAHWUNPXZMYNF-JLLWLGSASA-N 1 1 284.316 -0.145 20 5 CBBDMO Cn1cnc([N+](=O)[O-])c1CN1CC[NH+](CCO)CC1 ZINC000331050493 352871087 /nfs/dbraw/zinc/87/10/87/352871087.db2.gz IBWMMSYVKQLAQX-UHFFFAOYSA-N 1 1 269.305 -0.562 20 5 CBBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1COC[C@H]1O ZINC000352801307 353506268 /nfs/dbraw/zinc/50/62/68/353506268.db2.gz JVAKOYWVQAIGFC-WDEREUQCSA-N 1 1 283.284 -0.552 20 5 CBBDMO NC(=O)C[C@@H]([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000353260078 353530695 /nfs/dbraw/zinc/53/06/95/353530695.db2.gz TUPSHGXPRMCICP-LLVKDONJSA-N 1 1 292.295 -0.318 20 5 CBBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[C@@H]1O ZINC000352661011 353500062 /nfs/dbraw/zinc/50/00/62/353500062.db2.gz QEMYBLCNIUGYTB-TUAOUCFPSA-N 1 1 284.316 -0.003 20 5 CBBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000358047610 353621142 /nfs/dbraw/zinc/62/11/42/353621142.db2.gz MBFMQYMPBYJZKP-NSHDSACASA-N 1 1 269.257 -0.016 20 5 CBBDMO Cn1cnc([N+](=O)[O-])c1NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358325077 353638024 /nfs/dbraw/zinc/63/80/24/353638024.db2.gz AJBNCTZGVASSFF-JTQLQIEISA-N 1 1 255.278 -0.193 20 5 CBBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000358038637 353620379 /nfs/dbraw/zinc/62/03/79/353620379.db2.gz BMJZJJNSRBVGFI-ZDUSSCGKSA-N 1 1 294.311 -0.027 20 5 CBBDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000408152495 353859748 /nfs/dbraw/zinc/85/97/48/353859748.db2.gz AUQNKKYGDPQHIY-NXEZZACHSA-N 1 1 294.315 -0.119 20 5 CBBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)n1 ZINC000408373794 353907054 /nfs/dbraw/zinc/90/70/54/353907054.db2.gz MSXBWWDSBLJPTK-DTORHVGOSA-N 1 1 279.300 -0.038 20 5 CBBDMO C[C@@H]1[C@@H](CO)CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000488810944 354427690 /nfs/dbraw/zinc/42/76/90/354427690.db2.gz WUCCSYUSPSLFCE-FOGDFJRCSA-N 1 1 284.316 -0.145 20 5 CBBDMO C[C@H]1CC[N@@H+](CCNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000525291970 354570990 /nfs/dbraw/zinc/57/09/90/354570990.db2.gz VHHGNDDFRPCCBF-VIFPVBQESA-N 1 1 282.304 -0.356 20 5 CBBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000547274064 354657741 /nfs/dbraw/zinc/65/77/41/354657741.db2.gz WEUBGZBKPJVPMZ-LBPRGKRZSA-N 1 1 280.284 -0.214 20 5 CBBDMO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000590371620 355076444 /nfs/dbraw/zinc/07/64/44/355076444.db2.gz PANIQSLVQVPHBE-MRVPVSSYSA-N 1 1 283.288 -0.496 20 5 CBBDMO C[N@H+]1C[C@H]2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)[C@H]2C1 ZINC000590445751 355080802 /nfs/dbraw/zinc/08/08/02/355080802.db2.gz RPAWIOGWPCVYJC-BDAKNGLRSA-N 1 1 280.288 -0.651 20 5 CBBDMO C[C@@H]1CC[C@@H](O)C[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000592201757 355140394 /nfs/dbraw/zinc/14/03/94/355140394.db2.gz GUZLEQVTWZYVGV-JLLWLGSASA-N 1 1 284.316 -0.003 20 5 CBBDMO Cc1[nH]nc(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000592308920 355147141 /nfs/dbraw/zinc/14/71/41/355147141.db2.gz PBTBEQLXPPPXTA-SVRRBLITSA-N 1 1 283.288 -0.185 20 5 CBBDMO C[C@H](CCO)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000593107864 355195368 /nfs/dbraw/zinc/19/53/68/355195368.db2.gz PFUUHQFJONCYSC-KOLCDFICSA-N 1 1 272.305 -0.145 20 5 CBBDMO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593857147 355222882 /nfs/dbraw/zinc/22/28/82/355222882.db2.gz UDFHBQRMXLJCJM-MRVPVSSYSA-N 1 1 281.272 -0.791 20 5 CBBDMO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593857147 355222886 /nfs/dbraw/zinc/22/28/86/355222886.db2.gz UDFHBQRMXLJCJM-MRVPVSSYSA-N 1 1 281.272 -0.791 20 5 CBBDMO C[C@H](O)C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000594064169 355236227 /nfs/dbraw/zinc/23/62/27/355236227.db2.gz KZRRLDACWPUBBA-JOYOIKCWSA-N 1 1 284.316 -0.003 20 5 CBBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])cn1 ZINC000600532063 355556502 /nfs/dbraw/zinc/55/65/02/355556502.db2.gz GGVPKMNOAHUORJ-SNVBAGLBSA-N 1 1 280.284 -0.214 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)c1 ZINC000599681345 355508684 /nfs/dbraw/zinc/50/86/84/355508684.db2.gz NKJZHRIIDWXENC-FTYKPCCVSA-N 1 1 296.327 -0.003 20 5 CBBDMO CNC(=O)[C@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602699814 355667540 /nfs/dbraw/zinc/66/75/40/355667540.db2.gz RQTXEGVWRFDJRC-QMMMGPOBSA-N 1 1 267.289 -0.104 20 5 CBBDMO Cc1noc(CN2CC[N@@H+](C)C[C@H]2CO)c1[N+](=O)[O-] ZINC000602906936 355683568 /nfs/dbraw/zinc/68/35/68/355683568.db2.gz VHZOFXXKZNYGTF-VIFPVBQESA-N 1 1 270.289 0.000 20 5 CBBDMO Cc1noc(CN2CC[N@H+](C)C[C@H]2CO)c1[N+](=O)[O-] ZINC000602906936 355683570 /nfs/dbraw/zinc/68/35/70/355683570.db2.gz VHZOFXXKZNYGTF-VIFPVBQESA-N 1 1 270.289 0.000 20 5 CBBDMO C[N@H+]1CCC[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000604532468 355726138 /nfs/dbraw/zinc/72/61/38/355726138.db2.gz PIDSPGUGHAEMSA-JTQLQIEISA-N 1 1 294.311 -0.033 20 5 CBBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000610714621 355786320 /nfs/dbraw/zinc/78/63/20/355786320.db2.gz ZZTGSHMQWFOHBW-SCZZXKLOSA-N 1 1 294.315 -0.215 20 5 CBBDMO CC1(C)CN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000619838903 356228845 /nfs/dbraw/zinc/22/88/45/356228845.db2.gz KVBOFWDPHCPHNT-UHFFFAOYSA-N 1 1 297.315 -0.153 20 5 CBBDMO CC1(C)CN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000619838903 356228848 /nfs/dbraw/zinc/22/88/48/356228848.db2.gz KVBOFWDPHCPHNT-UHFFFAOYSA-N 1 1 297.315 -0.153 20 5 CBBDMO C[C@]1(O)CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000178013449 189085945 /nfs/dbraw/zinc/08/59/45/189085945.db2.gz JSRDGCSYONGVEG-QWRGUYRKSA-N 1 1 270.289 -0.391 20 5 CBBDMO CNC(=O)N[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000342354983 216322027 /nfs/dbraw/zinc/32/20/27/216322027.db2.gz NTUMPANOTADAQS-VIFPVBQESA-N 1 1 282.304 -0.205 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCc3n[nH]cc3C2)c1 ZINC000342382291 216333929 /nfs/dbraw/zinc/33/39/29/216333929.db2.gz BLGLEPNHUUZGCU-NSHDSACASA-N 1 1 292.299 -0.066 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCc3n[nH]cc3C2)c1 ZINC000342382291 216333932 /nfs/dbraw/zinc/33/39/32/216333932.db2.gz BLGLEPNHUUZGCU-NSHDSACASA-N 1 1 292.299 -0.066 20 5 CBBDMO COC(=O)C1(O)CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000330600590 203022311 /nfs/dbraw/zinc/02/23/11/203022311.db2.gz HLCRTOMDIPTWNH-UHFFFAOYSA-N 1 1 298.299 -0.209 20 5 CBBDMO NC(=O)[C@]1(O)CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000276491911 193353115 /nfs/dbraw/zinc/35/31/15/193353115.db2.gz VOSVQCCVZOSAEG-ZDUSSCGKSA-N 1 1 295.295 -0.104 20 5 CBBDMO NC(=O)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000265499224 372912804 /nfs/dbraw/zinc/91/28/04/372912804.db2.gz HUDUVNDXAFDERS-QMMMGPOBSA-N 1 1 285.691 -0.093 20 5 CBBDMO C[N@@H+](CCCO)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000281931794 372930355 /nfs/dbraw/zinc/93/03/55/372930355.db2.gz SNNHOMBEGMQKGU-SNVBAGLBSA-N 1 1 258.278 -0.534 20 5 CBBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1COC[C@H]1O ZINC000286100935 372958264 /nfs/dbraw/zinc/95/82/64/372958264.db2.gz UAQZAFHYQQSVJK-RKDXNWHRSA-N 1 1 256.262 -0.517 20 5 CBBDMO CC1(C)[C@@H](O)CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000361420759 373292903 /nfs/dbraw/zinc/29/29/03/373292903.db2.gz PIZKTBPPTNTXPI-QWRGUYRKSA-N 1 1 284.316 -0.003 20 5 CBBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1[nH]ncc1[N+](=O)[O-] ZINC000362397045 373402504 /nfs/dbraw/zinc/40/25/04/373402504.db2.gz QMNPXVZYWKVKIO-IUCAKERBSA-N 1 1 295.299 -0.089 20 5 CBBDMO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1n[nH]cc1[N+](=O)[O-] ZINC000362397045 373402511 /nfs/dbraw/zinc/40/25/11/373402511.db2.gz QMNPXVZYWKVKIO-IUCAKERBSA-N 1 1 295.299 -0.089 20 5 CBBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1n[nH]cc1[N+](=O)[O-] ZINC000362397045 373402521 /nfs/dbraw/zinc/40/25/21/373402521.db2.gz QMNPXVZYWKVKIO-IUCAKERBSA-N 1 1 295.299 -0.089 20 5 CBBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000561784858 374303371 /nfs/dbraw/zinc/30/33/71/374303371.db2.gz NAQOLDHVJGWQRK-ZYHUDNBSSA-N 1 1 297.311 -0.568 20 5 CBBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)c1 ZINC000554744086 374282948 /nfs/dbraw/zinc/28/29/48/374282948.db2.gz WBDPDCHIKUVTOO-ONGXEEELSA-N 1 1 270.289 -0.534 20 5 CBBDMO COCC[N@H+]1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000264584181 190120522 /nfs/dbraw/zinc/12/05/22/190120522.db2.gz UZEKMAHBWWVKOM-SNVBAGLBSA-N 1 1 297.315 -0.372 20 5 CBBDMO C[C@@H]1[C@H](C)N(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@@H+]1C ZINC000356870078 248296924 /nfs/dbraw/zinc/29/69/24/248296924.db2.gz CXQPOMRPSYSSIA-BDAKNGLRSA-N 1 1 282.304 -0.263 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000368010896 248757483 /nfs/dbraw/zinc/75/74/83/248757483.db2.gz VCHPBAUTGHPPSR-HBNTYKKESA-N 1 1 268.317 -0.842 20 5 CBBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000278717476 194119449 /nfs/dbraw/zinc/11/94/49/194119449.db2.gz KMLDZBBXBYPQCP-RTXFEEFZSA-N 1 1 298.295 -0.628 20 5 CBBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000278717484 194119606 /nfs/dbraw/zinc/11/96/06/194119606.db2.gz KMLDZBBXBYPQCP-WCFLWFBJSA-N 1 1 298.295 -0.628 20 5 CBBDMO C[C@@H]1COCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266505586 190262085 /nfs/dbraw/zinc/26/20/85/190262085.db2.gz XMDMDWYNVNZPEV-MWLCHTKSSA-N 1 1 270.289 -0.127 20 5 CBBDMO C[C@@H]1COCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266505586 190262086 /nfs/dbraw/zinc/26/20/86/190262086.db2.gz XMDMDWYNVNZPEV-MWLCHTKSSA-N 1 1 270.289 -0.127 20 5 CBBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1nnnc1C[NH3+] ZINC000574808626 335049021 /nfs/dbraw/zinc/04/90/21/335049021.db2.gz FSVKVODAQGJJLR-UHFFFAOYSA-N 1 1 291.271 -0.013 20 5 CBBDMO C[C@@H]1CC(=O)NCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000371340392 287200472 /nfs/dbraw/zinc/20/04/72/287200472.db2.gz DUSUATDIVDORCW-SNVBAGLBSA-N 1 1 294.311 -0.033 20 5 CBBDMO C[C@@H]1CC(=O)NCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000371340392 287200475 /nfs/dbraw/zinc/20/04/75/287200475.db2.gz DUSUATDIVDORCW-SNVBAGLBSA-N 1 1 294.311 -0.033 20 5 CBBDMO CN1CC[NH+](CCCNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285046044 196185732 /nfs/dbraw/zinc/18/57/32/196185732.db2.gz PYWPEUMVYCKPEQ-UHFFFAOYSA-N 1 1 296.331 -0.315 20 5 CBBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCOCC1 ZINC000356121535 228129957 /nfs/dbraw/zinc/12/99/57/228129957.db2.gz XAUMCQFCQVRBKN-UHFFFAOYSA-N 1 1 297.315 -0.220 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000364512470 420041030 /nfs/dbraw/zinc/04/10/30/420041030.db2.gz XLFYTUVQUGYDSZ-GMTAPVOTSA-N 1 1 296.327 -0.926 20 5 CBBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CC1 ZINC000364934178 420049543 /nfs/dbraw/zinc/04/95/43/420049543.db2.gz JTMDTBDFLXIOIN-VWYCJHECSA-N 1 1 271.317 -0.433 20 5 CBBDMO C[C@H](CO)[N@@H+]1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000364934178 420049545 /nfs/dbraw/zinc/04/95/45/420049545.db2.gz JTMDTBDFLXIOIN-VWYCJHECSA-N 1 1 271.317 -0.433 20 5 CBBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000364934178 420049546 /nfs/dbraw/zinc/04/95/46/420049546.db2.gz JTMDTBDFLXIOIN-VWYCJHECSA-N 1 1 271.317 -0.433 20 5 CBBDMO O=C1NC[C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CC[C@@H]12 ZINC000368232765 420126869 /nfs/dbraw/zinc/12/68/69/420126869.db2.gz SYZIAYHVIBYADT-GXSJLCMTSA-N 1 1 279.300 -0.141 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@@H](O)C3(CC3)C2)c1 ZINC000368787686 420143075 /nfs/dbraw/zinc/14/30/75/420143075.db2.gz ZHILTRASWCRVFB-GHMZBOCLSA-N 1 1 282.300 -0.391 20 5 CBBDMO Cn1ccnc1[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCN1C ZINC000369650651 420164222 /nfs/dbraw/zinc/16/42/22/420164222.db2.gz XHPZILZWFIMMBC-GMTAPVOTSA-N 1 1 293.327 -0.100 20 5 CBBDMO Nc1nc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)ncc1[N+](=O)[O-] ZINC000593507523 420483738 /nfs/dbraw/zinc/48/37/38/420483738.db2.gz JUFKDRISGHZMNW-MRVPVSSYSA-N 1 1 280.288 -0.778 20 5 CBBDMO Nc1nc(N2CC([N@H+]3CC[C@@H](O)C3)C2)ncc1[N+](=O)[O-] ZINC000593507523 420483739 /nfs/dbraw/zinc/48/37/39/420483739.db2.gz JUFKDRISGHZMNW-MRVPVSSYSA-N 1 1 280.288 -0.778 20 5 CBBDMO Cc1cnc(N2CC[NH2+][C@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000361266446 281607467 /nfs/dbraw/zinc/60/74/67/281607467.db2.gz SZPJJEIASVLELM-QMMMGPOBSA-N 1 1 265.273 -0.438 20 5 CBBDMO C[C@H](O)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)CO ZINC000190836884 290082294 /nfs/dbraw/zinc/08/22/94/290082294.db2.gz DXRGRXIZCHQSOF-QWRGUYRKSA-N 1 1 299.327 -0.180 20 5 CBBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NCC(F)(F)C[NH3+] ZINC000568748155 334838830 /nfs/dbraw/zinc/83/88/30/334838830.db2.gz HDLMSZWGTHDSSM-UHFFFAOYSA-N 1 1 263.204 -0.348 20 5 CBBDMO CC[N@H+](CC(=O)NC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000743842612 582278317 /nfs/dbraw/zinc/27/83/17/582278317.db2.gz IVNSUGSOYNVSDN-JTQLQIEISA-N 1 1 285.304 -0.780 20 5 CBBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000762715344 582317993 /nfs/dbraw/zinc/31/79/93/582317993.db2.gz BGOUPAFWIOOIOZ-CYBMUJFWSA-N 1 1 294.311 -0.027 20 5 CBBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000787269329 582381012 /nfs/dbraw/zinc/38/10/12/582381012.db2.gz DDKPINPMXOSMAC-CYBMUJFWSA-N 1 1 294.311 -0.027 20 5 CBBDMO C[C@]1(C(N)=O)CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000794708477 582406846 /nfs/dbraw/zinc/40/68/46/582406846.db2.gz BRCDISTUFIIWQC-JTQLQIEISA-N 1 1 253.262 -0.054 20 5 CBBDMO C[C@]1(C(N)=O)CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000794708477 582406847 /nfs/dbraw/zinc/40/68/47/582406847.db2.gz BRCDISTUFIIWQC-JTQLQIEISA-N 1 1 253.262 -0.054 20 5 CBBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000830136455 582921884 /nfs/dbraw/zinc/92/18/84/582921884.db2.gz XZPUZTWHXUEIJR-VIFPVBQESA-N 1 1 267.289 -0.080 20 5 CBBDMO COCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839663936 583157135 /nfs/dbraw/zinc/15/71/35/583157135.db2.gz VTDSXMZFVIOSQY-GMTAPVOTSA-N 1 1 271.317 -0.121 20 5 CBBDMO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839663936 583157139 /nfs/dbraw/zinc/15/71/39/583157139.db2.gz VTDSXMZFVIOSQY-GMTAPVOTSA-N 1 1 271.317 -0.121 20 5 CBBDMO COCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839663936 583157142 /nfs/dbraw/zinc/15/71/42/583157142.db2.gz VTDSXMZFVIOSQY-GMTAPVOTSA-N 1 1 271.317 -0.121 20 5 CBBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839729748 583158797 /nfs/dbraw/zinc/15/87/97/583158797.db2.gz DNXSOASMPMWLQW-GMTAPVOTSA-N 1 1 285.344 -0.045 20 5 CBBDMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839729748 583158799 /nfs/dbraw/zinc/15/87/99/583158799.db2.gz DNXSOASMPMWLQW-GMTAPVOTSA-N 1 1 285.344 -0.045 20 5 CBBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839729748 583158800 /nfs/dbraw/zinc/15/88/00/583158800.db2.gz DNXSOASMPMWLQW-GMTAPVOTSA-N 1 1 285.344 -0.045 20 5 CBBDMO O=C(N[C@H]1CCC[N@H+](CCCO)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839781346 583160091 /nfs/dbraw/zinc/16/00/91/583160091.db2.gz MYJFJLGAZUVRCW-HBNTYKKESA-N 1 1 271.317 -0.385 20 5 CBBDMO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839781346 583160093 /nfs/dbraw/zinc/16/00/93/583160093.db2.gz MYJFJLGAZUVRCW-HBNTYKKESA-N 1 1 271.317 -0.385 20 5 CBBDMO O=C(N[C@H]1CCC[N@H+](CCCO)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839781346 583160096 /nfs/dbraw/zinc/16/00/96/583160096.db2.gz MYJFJLGAZUVRCW-HBNTYKKESA-N 1 1 271.317 -0.385 20 5 CBBDMO O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000854354682 583600365 /nfs/dbraw/zinc/60/03/65/583600365.db2.gz UFQZFHQJYUGUSY-GMTAPVOTSA-N 1 1 268.317 -0.842 20 5 CBBDMO O=C1OC[C@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)C[C@@H]12 ZINC000860160360 583740031 /nfs/dbraw/zinc/74/00/31/583740031.db2.gz RWCQZLOLXPTFJJ-RKDXNWHRSA-N 1 1 266.257 -0.104 20 5 CBBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000861720316 583781436 /nfs/dbraw/zinc/78/14/36/583781436.db2.gz XVDNSIFNMFJXHP-LNFKQOIKSA-N 1 1 269.301 -0.681 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861720316 583781439 /nfs/dbraw/zinc/78/14/39/583781439.db2.gz XVDNSIFNMFJXHP-LNFKQOIKSA-N 1 1 269.301 -0.681 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000861720316 583781441 /nfs/dbraw/zinc/78/14/41/583781441.db2.gz XVDNSIFNMFJXHP-LNFKQOIKSA-N 1 1 269.301 -0.681 20 5 CBBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889750691 584535628 /nfs/dbraw/zinc/53/56/28/584535628.db2.gz QFKCHYBJFAZLGE-NOOOWODRSA-N 1 1 283.328 -0.291 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889750691 584535629 /nfs/dbraw/zinc/53/56/29/584535629.db2.gz QFKCHYBJFAZLGE-NOOOWODRSA-N 1 1 283.328 -0.291 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889750691 584535631 /nfs/dbraw/zinc/53/56/31/584535631.db2.gz QFKCHYBJFAZLGE-NOOOWODRSA-N 1 1 283.328 -0.291 20 5 CBBDMO O=[N+]([O-])CC[NH2+]CCS(=O)(=O)N1CCCC1 ZINC000905663901 656364722 /nfs/dbraw/zinc/36/47/22/656364722.db2.gz IPMWFBRUKUHLFB-UHFFFAOYSA-N 1 1 251.308 -0.722 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000923331667 658215634 /nfs/dbraw/zinc/21/56/34/658215634.db2.gz MQHMXNHAXGKDQY-QWHCGFSZSA-N 1 1 295.343 -0.162 20 5 CBBDMO CN(C[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1)S(C)(=O)=O ZINC000930440682 659286073 /nfs/dbraw/zinc/28/60/73/659286073.db2.gz DIYIRRBEGVZMKU-SNVBAGLBSA-N 1 1 279.362 -0.134 20 5 CBBDMO CN(C[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1)S(C)(=O)=O ZINC000930440682 659286089 /nfs/dbraw/zinc/28/60/89/659286089.db2.gz DIYIRRBEGVZMKU-SNVBAGLBSA-N 1 1 279.362 -0.134 20 5 CBBDMO COCCOCC[NH+]1CCN(CC[N+](=O)[O-])CC1 ZINC000930865720 659356809 /nfs/dbraw/zinc/35/68/09/659356809.db2.gz RIANNFLFKXMQIK-UHFFFAOYSA-N 1 1 261.322 -0.456 20 5 CBBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000931394956 659444705 /nfs/dbraw/zinc/44/47/05/659444705.db2.gz JHLYBEKAZCKSPJ-LOWVWBTDSA-N 1 1 295.343 -0.069 20 5 CBBDMO C[N@H+]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1CO ZINC000931407303 659453562 /nfs/dbraw/zinc/45/35/62/659453562.db2.gz HNPUUDVFGMLKNC-SNVBAGLBSA-N 1 1 269.305 -0.600 20 5 CBBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](CCO)C[C@H]2CC1 ZINC000946589250 659947105 /nfs/dbraw/zinc/94/71/05/659947105.db2.gz OGYLFAFTVHQBQK-YVECIDJPSA-N 1 1 297.355 -0.186 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2C[N@H+](CCO)C[C@H]2CC1 ZINC000946589250 659947106 /nfs/dbraw/zinc/94/71/06/659947106.db2.gz OGYLFAFTVHQBQK-YVECIDJPSA-N 1 1 297.355 -0.186 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](CCO)C[C@H]2CC1 ZINC000946589250 659947108 /nfs/dbraw/zinc/94/71/08/659947108.db2.gz OGYLFAFTVHQBQK-YVECIDJPSA-N 1 1 297.355 -0.186 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccon2)c1 ZINC000148874692 790398758 /nfs/dbraw/zinc/39/87/58/790398758.db2.gz NBUVUAHSKNKIBK-SNVBAGLBSA-N 1 1 267.245 -0.070 20 5 CBBDMO CN1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000304332689 790470822 /nfs/dbraw/zinc/47/08/22/790470822.db2.gz OFGQFOJJKOKJTP-NSHDSACASA-N 1 1 269.305 -0.600 20 5 CBBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC001325268166 804268679 /nfs/dbraw/zinc/26/86/79/804268679.db2.gz KMLQJIZHIXTDNZ-JTQLQIEISA-N 1 1 269.261 -0.886 20 5 CBBDMO Cn1nncc1C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157767373 815462907 /nfs/dbraw/zinc/46/29/07/815462907.db2.gz LPRVSSQDOQYQCJ-NXEZZACHSA-N 1 1 282.304 -0.924 20 5 CBBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC(CO)(CO)C2)c1 ZINC001118501529 812560598 /nfs/dbraw/zinc/56/05/98/812560598.db2.gz MGCDOPDSTHDTOL-UHFFFAOYSA-N 1 1 270.289 -0.532 20 5 CBBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1[nH]ncc1[N+](=O)[O-] ZINC001118953422 812674961 /nfs/dbraw/zinc/67/49/61/812674961.db2.gz QGQSKEFDNXSILS-SSDOTTSWSA-N 1 1 269.261 -0.886 20 5 CBBDMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1[nH]ncc1[N+](=O)[O-] ZINC001159091737 815558875 /nfs/dbraw/zinc/55/88/75/815558875.db2.gz QUYMFQWQKQFHQY-VIFPVBQESA-N 1 1 297.315 -0.106 20 5 CBBDMO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1n[nH]cc1[N+](=O)[O-] ZINC001159091737 815558878 /nfs/dbraw/zinc/55/88/78/815558878.db2.gz QUYMFQWQKQFHQY-VIFPVBQESA-N 1 1 297.315 -0.106 20 5 CBBDMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1n[nH]cc1[N+](=O)[O-] ZINC001159091737 815558879 /nfs/dbraw/zinc/55/88/79/815558879.db2.gz QUYMFQWQKQFHQY-VIFPVBQESA-N 1 1 297.315 -0.106 20 5 CBBDMO CCC(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001122344070 813151198 /nfs/dbraw/zinc/15/11/98/813151198.db2.gz YFXXOIOEDBQUBK-UHFFFAOYSA-N 1 1 255.278 -0.056 20 5 CBBDMO Cn1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001126932448 813695079 /nfs/dbraw/zinc/69/50/79/813695079.db2.gz YGXUORCTKZDEIF-NXEZZACHSA-N 1 1 267.289 -0.709 20 5 CBBDMO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001126932213 813695286 /nfs/dbraw/zinc/69/52/86/813695286.db2.gz MJOLVSVJJKBADA-GHMZBOCLSA-N 1 1 294.311 -0.039 20 5 CBBDMO CCN(C(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001126943700 813696499 /nfs/dbraw/zinc/69/64/99/813696499.db2.gz UQMLLNGGCPGCFC-GHMZBOCLSA-N 1 1 298.343 -0.632 20 5 CBBDMO CC[C@]([NH3+])(CO)Nc1nc(OC)c([N+](=O)[O-])c(OC)n1 ZINC001159744350 815591993 /nfs/dbraw/zinc/59/19/93/815591993.db2.gz VBXJKMUWWUMBJL-SNVBAGLBSA-N 1 1 287.276 -0.129 20 5 CBBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NCCN1CC[NH2+]CC1=O ZINC001161024431 815700249 /nfs/dbraw/zinc/70/02/49/815700249.db2.gz LJKFFMFCPBNOGF-UHFFFAOYSA-N 1 1 295.299 -0.620 20 5 CBBDMO [NH3+][C@@H]1NCN(c2cc([N+](=O)[O-])cc(Cl)n2)[C@@H]2NCN[C@H]21 ZINC001162436687 815817261 /nfs/dbraw/zinc/81/72/61/815817261.db2.gz OWGMYJKEQHUAMN-AEJSXWLSSA-N 1 1 299.722 -0.860 20 5 CBBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)n1 ZINC001162440502 815824778 /nfs/dbraw/zinc/82/47/78/815824778.db2.gz SDOSCRPLNQKZIN-LSJOCFKGSA-N 1 1 293.331 -0.896 20 5 CBBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)n1 ZINC001162440500 815824919 /nfs/dbraw/zinc/82/49/19/815824919.db2.gz SDOSCRPLNQKZIN-DVVUODLYSA-N 1 1 293.331 -0.896 20 5 CBBDMO CN(C(=O)CC[NH+](C)C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001286033277 816365260 /nfs/dbraw/zinc/36/52/60/816365260.db2.gz NFNIMEWSMDPQNB-GHMZBOCLSA-N 1 1 298.343 -0.728 20 5 CBBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)n1 ZINC001293349943 816516585 /nfs/dbraw/zinc/51/65/85/816516585.db2.gz KIOYKEUXTNPDPS-SECBINFHSA-N 1 1 296.331 -0.696 20 5 CBBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)n1 ZINC001293349943 816516586 /nfs/dbraw/zinc/51/65/86/816516586.db2.gz KIOYKEUXTNPDPS-SECBINFHSA-N 1 1 296.331 -0.696 20 5 CBBDMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1c[nH]nc1[N+](=O)[O-] ZINC001298329301 816677640 /nfs/dbraw/zinc/67/76/40/816677640.db2.gz YPEWODBXFXYDMN-VIFPVBQESA-N 1 1 297.315 -0.106 20 5 CBBDMO Cn1cc([N+](=O)[O-])c(N2CC[N@@H+]3CCOC[C@H]3C2)n1 ZINC001307090756 816795807 /nfs/dbraw/zinc/79/58/07/816795807.db2.gz NYPCLQSUWITZOX-SECBINFHSA-N 1 1 267.289 -0.151 20 5 CBBDMO Cn1cc([N+](=O)[O-])c(N2CC[N@H+]3CCOC[C@H]3C2)n1 ZINC001307090756 816795813 /nfs/dbraw/zinc/79/58/13/816795813.db2.gz NYPCLQSUWITZOX-SECBINFHSA-N 1 1 267.289 -0.151 20 5 CBBDMO NC(=O)C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC001316915766 816902669 /nfs/dbraw/zinc/90/26/69/816902669.db2.gz XSWUZJMDQGYHML-NXEZZACHSA-N 1 1 284.316 -0.892 20 5 CBBDMO COc1nc(N2CC[NH2+][C@@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC001166724415 820025788 /nfs/dbraw/zinc/02/57/88/820025788.db2.gz UQHFSMISRIWMTQ-SSDOTTSWSA-N 1 1 281.272 -0.738 20 5 CBBDMO COc1cnc(N2CC[NH2+][C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC001166725759 820031923 /nfs/dbraw/zinc/03/19/23/820031923.db2.gz SLRLWIFCWHXSPF-MRVPVSSYSA-N 1 1 281.272 -0.738 20 5 CBBDMO Cn1cc(-n2cnc(C[NH3+])cc2=N)cc([N+](=O)[O-])c1=O ZINC001167358622 820087103 /nfs/dbraw/zinc/08/71/03/820087103.db2.gz WZBQTVLMJIWAGD-UHFFFAOYSA-N 1 1 276.256 -0.583 20 5 CBBDMO N=C(NCCCC[NH3+])Nc1c[n+]([O-])ccc1[N+](=O)[O-] ZINC001167877739 820125235 /nfs/dbraw/zinc/12/52/35/820125235.db2.gz CSHQWCCDQMJYEJ-UHFFFAOYSA-N 1 1 268.277 -0.097 20 5 CBBDMO Nc1ncc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC001170536510 820302963 /nfs/dbraw/zinc/30/29/63/820302963.db2.gz PNLWMAPYVGZTCP-SECBINFHSA-N 1 1 295.299 -0.632 20 5 CBBDMO NC(=O)c1ccnc(N[C@@H](N)CCC[NH3+])c1[N+](=O)[O-] ZINC001170896518 820334084 /nfs/dbraw/zinc/33/40/84/820334084.db2.gz FTEYYVCILFMGMM-SSDOTTSWSA-N 1 1 268.277 -0.476 20 5 CBBDMO NC(=O)c1nc(N[C@H](N)CCC[NH3+])ccc1[N+](=O)[O-] ZINC001170899205 820336348 /nfs/dbraw/zinc/33/63/48/820336348.db2.gz SLVZDACYMAYLNN-ZETCQYMHSA-N 1 1 268.277 -0.476 20 5 CBBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C(N)=O)C(N)=O ZINC001173214870 820401152 /nfs/dbraw/zinc/40/11/52/820401152.db2.gz RBINPZVFROBZRO-SSDOTTSWSA-N 1 1 280.284 -0.545 20 5 CBBDMO COC(=O)[C@]1(O)CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC001197266330 824185689 /nfs/dbraw/zinc/18/56/89/824185689.db2.gz WVQUWEQNZHWCHV-LBPRGKRZSA-N 1 1 298.299 -0.290 20 5 CBBDMO NC(=O)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CCOCC1 ZINC001197384678 824188970 /nfs/dbraw/zinc/18/89/70/824188970.db2.gz LJEDKPFJKAFJMI-UHFFFAOYSA-N 1 1 297.315 -0.242 20 5 CBBDMO O=[N+]([O-])c1cc(F)cnc1-c1noc(C2(O)C[NH2+]C2)n1 ZINC001211856316 824491505 /nfs/dbraw/zinc/49/15/05/824491505.db2.gz QBQYQILGNRPMFF-UHFFFAOYSA-N 1 1 281.203 -0.030 20 5 CBBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])c(C(N)=O)n1)C1CC1 ZINC001261208650 826494379 /nfs/dbraw/zinc/49/43/79/826494379.db2.gz ARXJOIMZMAVBQP-QMMMGPOBSA-N 1 1 283.288 -0.655 20 5 CBBDMO [NH3+]CC(F)(F)CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001261494814 826525645 /nfs/dbraw/zinc/52/56/45/826525645.db2.gz GGGHVBGBIZGRMC-UHFFFAOYSA-N 1 1 290.226 -0.533 20 5 CBBDMO C[N@H+]1CCC[C@@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001331694014 886913865 /nfs/dbraw/zinc/91/38/65/886913865.db2.gz HFEQSBWSYOANKC-SNVBAGLBSA-N 1 1 294.311 -0.033 20 5 CBBDMO C[C@H]1[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC001332477414 887307684 /nfs/dbraw/zinc/30/76/84/887307684.db2.gz KDFPVPVWZOHNPX-UWVGGRQHSA-N 1 1 294.311 -0.035 20 5 CBBDMO C[N@H+]1CCN(CCn2ccc([N+](=O)[O-])n2)[C@@H](CO)C1 ZINC001333040298 887508684 /nfs/dbraw/zinc/50/86/84/887508684.db2.gz XCAHIHXAFXXVQH-SNVBAGLBSA-N 1 1 269.305 -0.600 20 5 CBBDMO O=C1[C@H]([NH2+]CC[N+](=O)[O-])CCN1C1CCOCC1 ZINC001336134722 888701948 /nfs/dbraw/zinc/70/19/48/888701948.db2.gz CMLATWIODMEJAC-SNVBAGLBSA-N 1 1 257.290 -0.367 20 5 CBBDMO CN1CC[NH+](CCCNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC001344129512 890008059 /nfs/dbraw/zinc/00/80/59/890008059.db2.gz NJXGSBVNYFQODP-UHFFFAOYSA-N 1 1 296.331 -0.315 20 5 CBBDMO CC[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])c(C(N)=O)n1 ZINC001346541449 890317704 /nfs/dbraw/zinc/31/77/04/890317704.db2.gz QKBWBRCBVKKTTC-SSDOTTSWSA-N 1 1 271.277 -0.797 20 5 CBBDMO NC(=O)[C@H](CO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001349319595 890794837 /nfs/dbraw/zinc/79/48/37/890794837.db2.gz OTKVMNBICHQMKG-VHSXEESVSA-N 1 1 269.257 -0.936 20 5 CBBDMO CN(CCNC(=O)CC[NH+](C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001355876285 891712553 /nfs/dbraw/zinc/71/25/53/891712553.db2.gz LNMWACYVZRMDKV-NXEZZACHSA-N 1 1 286.332 -0.822 20 5 CBBDMO Cc1nc(N2CC([NH2+]C3COC3)C2)ncc1[N+](=O)[O-] ZINC001458636243 914664842 /nfs/dbraw/zinc/66/48/42/914664842.db2.gz DXSYICSXIBUEHU-UHFFFAOYSA-N 1 1 265.273 -0.130 20 5 CBBDMO C[N@H+]1CCCC[C@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001439895917 911306319 /nfs/dbraw/zinc/30/63/19/911306319.db2.gz UXMQYBCKQNJHNC-VIFPVBQESA-N 1 1 282.304 -0.213 20 5 CBBDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC001468955825 915354753 /nfs/dbraw/zinc/35/47/53/915354753.db2.gz PTEYPSJWJADSQX-JTQLQIEISA-N 1 1 297.315 -0.684 20 5 CBBDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC001468955825 915354770 /nfs/dbraw/zinc/35/47/70/915354770.db2.gz PTEYPSJWJADSQX-JTQLQIEISA-N 1 1 297.315 -0.684 20 5 CBBDMO O=C(NC[C@@]1(CO)COCC[NH2+]1)c1cc([N+](=O)[O-])c[nH]1 ZINC001471177684 915560394 /nfs/dbraw/zinc/56/03/94/915560394.db2.gz FILCENPSZFOIBR-LLVKDONJSA-N 1 1 284.272 -0.996 20 5 CBBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@H](CCO)[C@H](CO)C2)n1 ZINC001473894439 915881708 /nfs/dbraw/zinc/88/17/08/915881708.db2.gz XVNRYOPLHSHSJB-QWRGUYRKSA-N 1 1 284.316 -0.286 20 5 CBBDMO COCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001490889182 918986800 /nfs/dbraw/zinc/98/68/00/918986800.db2.gz UOKYPSAIOWIKIJ-GWOFURMSSA-N 1 1 271.317 -0.075 20 5 CBBDMO CC(C)NC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001497584130 920345836 /nfs/dbraw/zinc/34/58/36/920345836.db2.gz OKROWMSVGDPSQN-YIZUVKHSSA-N 1 1 298.343 -0.562 20 5 CBBDMO C[N@@H+](CCNc1ncc([N+](=O)[O-])cn1)CCOCCO ZINC001559265571 924217991 /nfs/dbraw/zinc/21/79/91/924217991.db2.gz UDFPEDFBJSFBAD-UHFFFAOYSA-N 1 1 285.304 -0.263 20 5 CBBDMO C[NH+](C)CCN1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000377538090 282100248 /nfs/dbraw/zinc/10/02/48/282100248.db2.gz SCUCLBZRTLYFPD-NWDGAFQWSA-N 1 1 284.360 -0.253 20 5 CBBDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1O ZINC000351825061 219218005 /nfs/dbraw/zinc/21/80/05/219218005.db2.gz GEPLPEUTNHKZGH-DVVUODLYSA-N 1 1 270.289 -0.535 20 5 CBBDMO CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H](C)O ZINC000352233366 219376831 /nfs/dbraw/zinc/37/68/31/219376831.db2.gz YDVRWVYYOVPLSP-GXSJLCMTSA-N 1 1 272.305 -0.145 20 5 CBBDMO C[N@@H+](CC(N)=O)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000051826260 351514321 /nfs/dbraw/zinc/51/43/21/351514321.db2.gz ORTRCLIYYYVYPT-SNVBAGLBSA-N 1 1 283.284 -0.248 20 5 CBBDMO C[N@H+](CC(N)=O)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000051826260 351514327 /nfs/dbraw/zinc/51/43/27/351514327.db2.gz ORTRCLIYYYVYPT-SNVBAGLBSA-N 1 1 283.284 -0.248 20 5 CBBDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cnc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000152448473 351939273 /nfs/dbraw/zinc/93/92/73/351939273.db2.gz MBYDSYOLJDXSKZ-AEJSXWLSSA-N 1 1 285.304 -0.344 20 5 CBBDMO C[C@@H]1C[N@H+](C[C@H](O)Cn2cnc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000152448473 351939276 /nfs/dbraw/zinc/93/92/76/351939276.db2.gz MBYDSYOLJDXSKZ-AEJSXWLSSA-N 1 1 285.304 -0.344 20 5 CBBDMO COCC[N@@H+](C)CCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000131208009 351883714 /nfs/dbraw/zinc/88/37/14/351883714.db2.gz HFJOFBQMKZSNAW-UHFFFAOYSA-N 1 1 271.277 -0.374 20 5 CBBDMO COCC[N@H+](C)CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000131208009 351883717 /nfs/dbraw/zinc/88/37/17/351883717.db2.gz HFJOFBQMKZSNAW-UHFFFAOYSA-N 1 1 271.277 -0.374 20 5 CBBDMO COCC[N@@H+](C)CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000131208009 351883719 /nfs/dbraw/zinc/88/37/19/351883719.db2.gz HFJOFBQMKZSNAW-UHFFFAOYSA-N 1 1 271.277 -0.374 20 5 CBBDMO COCC[N@@H+](C)CCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000171128453 352008527 /nfs/dbraw/zinc/00/85/27/352008527.db2.gz RLQZBDNTRBFHML-UHFFFAOYSA-N 1 1 285.304 -0.514 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCC[C@@H]2CO)c1 ZINC000159734115 351965733 /nfs/dbraw/zinc/96/57/33/351965733.db2.gz HLLCNTBHELPHFV-PWSUYJOCSA-N 1 1 284.316 -0.001 20 5 CBBDMO CC(C)[N@@H+](CCO)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174659007 352049726 /nfs/dbraw/zinc/04/97/26/352049726.db2.gz RSKRPQLCJZKAAY-LLVKDONJSA-N 1 1 272.305 -0.145 20 5 CBBDMO CC(C)[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(N)=O ZINC000172717199 352029760 /nfs/dbraw/zinc/02/97/60/352029760.db2.gz DYHCODQGOYXZDT-UHFFFAOYSA-N 1 1 255.278 -0.013 20 5 CBBDMO CC(C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC(N)=O ZINC000172717199 352029762 /nfs/dbraw/zinc/02/97/62/352029762.db2.gz DYHCODQGOYXZDT-UHFFFAOYSA-N 1 1 255.278 -0.013 20 5 CBBDMO NC(=O)[C@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173504013 352038052 /nfs/dbraw/zinc/03/80/52/352038052.db2.gz DTQWTBJGORLVGS-GHMZBOCLSA-N 1 1 297.315 -0.508 20 5 CBBDMO NC(=O)[C@H]1CCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173504013 352038057 /nfs/dbraw/zinc/03/80/57/352038057.db2.gz DTQWTBJGORLVGS-GHMZBOCLSA-N 1 1 297.315 -0.508 20 5 CBBDMO CNC(=O)CC[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173636123 352039282 /nfs/dbraw/zinc/03/92/82/352039282.db2.gz QSHTUNCFQMOPQU-JTQLQIEISA-N 1 1 285.304 -0.780 20 5 CBBDMO CNC(=O)[C@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173563629 352039877 /nfs/dbraw/zinc/03/98/77/352039877.db2.gz CZVQRAWAACHZFR-WDEREUQCSA-N 1 1 297.315 -0.637 20 5 CBBDMO C[C@@H](O)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)CO ZINC000190836901 352184457 /nfs/dbraw/zinc/18/44/57/352184457.db2.gz DXRGRXIZCHQSOF-WDEREUQCSA-N 1 1 299.327 -0.180 20 5 CBBDMO C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1CCO ZINC000187703640 352142312 /nfs/dbraw/zinc/14/23/12/352142312.db2.gz BIWIUKLRDHSINK-NSHDSACASA-N 1 1 283.332 -0.210 20 5 CBBDMO C[C@H]1C(=O)NCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000249071286 352360777 /nfs/dbraw/zinc/36/07/77/352360777.db2.gz RBPBYAPPYNFTEC-GXSJLCMTSA-N 1 1 297.315 -0.637 20 5 CBBDMO C[C@H]1C(=O)NCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000249071286 352360781 /nfs/dbraw/zinc/36/07/81/352360781.db2.gz RBPBYAPPYNFTEC-GXSJLCMTSA-N 1 1 297.315 -0.637 20 5 CBBDMO CC[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000271011002 352506914 /nfs/dbraw/zinc/50/69/14/352506914.db2.gz ZTRCZUQHSIEYRD-USWWRNFRSA-N 1 1 284.316 -0.145 20 5 CBBDMO CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)CO ZINC000292098708 198161896 /nfs/dbraw/zinc/16/18/96/198161896.db2.gz GDUIZOIPEKVSIF-MWLCHTKSSA-N 1 1 272.305 -0.145 20 5 CBBDMO C[C@H](O)C[NH+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000275124654 352552809 /nfs/dbraw/zinc/55/28/09/352552809.db2.gz INJQVYKKTAUNGK-JTQLQIEISA-N 1 1 297.315 -0.684 20 5 CBBDMO C[C@@H]1C[C@@H](O)C[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000340973311 353195773 /nfs/dbraw/zinc/19/57/73/353195773.db2.gz PKHWYFCBFFOZFG-FBIMIBRVSA-N 1 1 270.289 -0.393 20 5 CBBDMO NC(=O)N[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000342872896 353237298 /nfs/dbraw/zinc/23/72/98/353237298.db2.gz ITMHRYQQFAJABW-VIFPVBQESA-N 1 1 295.299 -0.501 20 5 CBBDMO NC(=O)N[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000342872896 353237300 /nfs/dbraw/zinc/23/73/00/353237300.db2.gz ITMHRYQQFAJABW-VIFPVBQESA-N 1 1 295.299 -0.501 20 5 CBBDMO NC(=O)N[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000342868749 353237514 /nfs/dbraw/zinc/23/75/14/353237514.db2.gz QSGLHYPHHVPZJL-QMMMGPOBSA-N 1 1 268.277 -0.466 20 5 CBBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1COC[C@@H]1O ZINC000352801304 353506401 /nfs/dbraw/zinc/50/64/01/353506401.db2.gz JVAKOYWVQAIGFC-MNOVXSKESA-N 1 1 283.284 -0.552 20 5 CBBDMO NC(=O)C[C@H]([NH3+])C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000353092269 353521080 /nfs/dbraw/zinc/52/10/80/353521080.db2.gz XVMOHPNRNWBKDC-JTQLQIEISA-N 1 1 295.299 -0.674 20 5 CBBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCC[C@H]1O ZINC000352661009 353499762 /nfs/dbraw/zinc/49/97/62/353499762.db2.gz QEMYBLCNIUGYTB-SDDRHHMPSA-N 1 1 284.316 -0.003 20 5 CBBDMO Cc1n[nH]c(C(=O)NC[C@]2(O)CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000358060112 353623054 /nfs/dbraw/zinc/62/30/54/353623054.db2.gz DVIHCUAUPFOCSG-LLVKDONJSA-N 1 1 283.288 -0.577 20 5 CBBDMO C[N@H+]1CC[C@](O)(CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000358486689 353647462 /nfs/dbraw/zinc/64/74/62/353647462.db2.gz UYYYELJUJGXTAO-LBPRGKRZSA-N 1 1 295.299 -0.400 20 5 CBBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000357900321 353612781 /nfs/dbraw/zinc/61/27/81/353612781.db2.gz VEBIYIYHIUWOCR-SECBINFHSA-N 1 1 297.315 -0.221 20 5 CBBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)[C@@H]2C1 ZINC000408145358 353858176 /nfs/dbraw/zinc/85/81/76/353858176.db2.gz RSWQYSBIWCNDFB-VHSXEESVSA-N 1 1 294.315 -0.261 20 5 CBBDMO Cc1nn(CC(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000408182623 353865580 /nfs/dbraw/zinc/86/55/80/353865580.db2.gz LZWWWFNXHWLNCW-UHFFFAOYSA-N 1 1 267.289 -0.126 20 5 CBBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000408071592 353844089 /nfs/dbraw/zinc/84/40/89/353844089.db2.gz OBBLRIXXDNAFCG-IUCAKERBSA-N 1 1 282.304 -0.263 20 5 CBBDMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000416309486 353968316 /nfs/dbraw/zinc/96/83/16/353968316.db2.gz NGALURTYSHWTIN-DTWKUNHWSA-N 1 1 297.315 -0.155 20 5 CBBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000416309486 353968319 /nfs/dbraw/zinc/96/83/19/353968319.db2.gz NGALURTYSHWTIN-DTWKUNHWSA-N 1 1 297.315 -0.155 20 5 CBBDMO O=C([C@@H]1COCC[NH2+]1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000424177447 354215297 /nfs/dbraw/zinc/21/52/97/354215297.db2.gz UJUIRWUXRHBPDO-LBPRGKRZSA-N 1 1 292.295 -0.137 20 5 CBBDMO O=C(CC[N@H+]1C[C@@H](O)[C@@H](O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000444695356 354277197 /nfs/dbraw/zinc/27/71/97/354277197.db2.gz MFPUQLIGRFGQCH-TXEJJXNPSA-N 1 1 295.295 -0.039 20 5 CBBDMO CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1COC1 ZINC000451289438 354335823 /nfs/dbraw/zinc/33/58/23/354335823.db2.gz WDGSRGJFHBFCJQ-NSHDSACASA-N 1 1 270.289 -0.127 20 5 CBBDMO CN1C[C@@H]2CC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000590010464 355072901 /nfs/dbraw/zinc/07/29/01/355072901.db2.gz IUZBDAOGKHMKIG-WCFLWFBJSA-N 1 1 295.343 -0.212 20 5 CBBDMO C[N@@H+]1C[C@@H]2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000590010464 355072902 /nfs/dbraw/zinc/07/29/02/355072902.db2.gz IUZBDAOGKHMKIG-WCFLWFBJSA-N 1 1 295.343 -0.212 20 5 CBBDMO C[N@H+]1C[C@@H]2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000590010464 355072904 /nfs/dbraw/zinc/07/29/04/355072904.db2.gz IUZBDAOGKHMKIG-WCFLWFBJSA-N 1 1 295.343 -0.212 20 5 CBBDMO O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)c1[nH]ncc1[N+](=O)[O-] ZINC000585682912 355049196 /nfs/dbraw/zinc/04/91/96/355049196.db2.gz XHLNLYHZTSTMFQ-SECBINFHSA-N 1 1 294.315 -0.562 20 5 CBBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)n1 ZINC000593097711 355193928 /nfs/dbraw/zinc/19/39/28/355193928.db2.gz PZDKZXXDRBEYCX-VXAXSWHGSA-N 1 1 270.314 -0.004 20 5 CBBDMO O=[N+]([O-])c1ccn(CC[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)n1 ZINC000593097711 355193929 /nfs/dbraw/zinc/19/39/29/355193929.db2.gz PZDKZXXDRBEYCX-VXAXSWHGSA-N 1 1 270.314 -0.004 20 5 CBBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593857212 355223190 /nfs/dbraw/zinc/22/31/90/355223190.db2.gz WOENVJRQHQHTGS-MRVPVSSYSA-N 1 1 281.272 -0.791 20 5 CBBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593857212 355223192 /nfs/dbraw/zinc/22/31/92/355223192.db2.gz WOENVJRQHQHTGS-MRVPVSSYSA-N 1 1 281.272 -0.791 20 5 CBBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594392723 355245542 /nfs/dbraw/zinc/24/55/42/355245542.db2.gz KBKZUQIROZYZHM-JGVFFNPUSA-N 1 1 281.272 -0.791 20 5 CBBDMO CN1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1=O ZINC000595784379 355306965 /nfs/dbraw/zinc/30/69/65/355306965.db2.gz TUXYYUXVZZEBSL-NSHDSACASA-N 1 1 297.315 -0.684 20 5 CBBDMO O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)c1c[nH]nc1[N+](=O)[O-] ZINC000597627421 355402061 /nfs/dbraw/zinc/40/20/61/355402061.db2.gz ZQONSAZEAWRXJA-SECBINFHSA-N 1 1 294.315 -0.562 20 5 CBBDMO CCN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CC[N@@H+](C)C1 ZINC000597945526 355424396 /nfs/dbraw/zinc/42/43/96/355424396.db2.gz HOWYMRSVZLNEEH-VIFPVBQESA-N 1 1 282.304 -0.261 20 5 CBBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599646082 355505753 /nfs/dbraw/zinc/50/57/53/355505753.db2.gz YYDFNNLRXQWURI-DTORHVGOSA-N 1 1 267.289 -0.013 20 5 CBBDMO CCc1n[nH]c(C(=O)NCC[N@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000600806790 355566535 /nfs/dbraw/zinc/56/65/35/355566535.db2.gz GEBAQHCHRCPPNB-QMMMGPOBSA-N 1 1 297.315 -0.323 20 5 CBBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000609345063 355768899 /nfs/dbraw/zinc/76/88/99/355768899.db2.gz SBOIYWPOXIDFOE-QMMMGPOBSA-N 1 1 280.288 -0.461 20 5 CBBDMO CCNC(=O)C[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000610484843 355779578 /nfs/dbraw/zinc/77/95/78/355779578.db2.gz IKHITZKJPKPWAL-UHFFFAOYSA-N 1 1 255.278 -0.141 20 5 CBBDMO CCNC(=O)C[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000610484843 355779582 /nfs/dbraw/zinc/77/95/82/355779582.db2.gz IKHITZKJPKPWAL-UHFFFAOYSA-N 1 1 255.278 -0.141 20 5 CBBDMO C[C@H]1C[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C[N@H+]1C1CC1 ZINC000610654050 355784081 /nfs/dbraw/zinc/78/40/81/355784081.db2.gz FROMOJQYFFCYCV-IUCAKERBSA-N 1 1 294.315 -0.072 20 5 CBBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000610714622 355785957 /nfs/dbraw/zinc/78/59/57/355785957.db2.gz ZZTGSHMQWFOHBW-WCBMZHEXSA-N 1 1 294.315 -0.215 20 5 CBBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000610714620 355786231 /nfs/dbraw/zinc/78/62/31/355786231.db2.gz ZZTGSHMQWFOHBW-PSASIEDQSA-N 1 1 294.315 -0.215 20 5 CBBDMO C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)[C@H]1C[N@H+](C)CCO1 ZINC000610907212 355789770 /nfs/dbraw/zinc/78/97/70/355789770.db2.gz FPWHMRMGTLITMF-MWLCHTKSSA-N 1 1 297.315 -0.373 20 5 CBBDMO C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)[C@H]1C[N@@H+](C)CCO1 ZINC000610907212 355789775 /nfs/dbraw/zinc/78/97/75/355789775.db2.gz FPWHMRMGTLITMF-MWLCHTKSSA-N 1 1 297.315 -0.373 20 5 CBBDMO NC(=O)[C@@H]1CN(c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000296495745 283327958 /nfs/dbraw/zinc/32/79/58/283327958.db2.gz NVLGQIQSLPMYGM-QMMMGPOBSA-N 1 1 250.258 -0.142 20 5 CBBDMO C[NH+](C)C1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000541309550 283704499 /nfs/dbraw/zinc/70/44/99/283704499.db2.gz JYYLBTBBDAJVSA-UHFFFAOYSA-N 1 1 286.313 -0.076 20 5 CBBDMO C[C@@H](O)C[NH+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000275420390 193030178 /nfs/dbraw/zinc/03/01/78/193030178.db2.gz INJQVYKKTAUNGK-SNVBAGLBSA-N 1 1 297.315 -0.684 20 5 CBBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000330804729 203255865 /nfs/dbraw/zinc/25/58/65/203255865.db2.gz LFEKFESFSDJNKC-JTQLQIEISA-N 1 1 296.331 -0.014 20 5 CBBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@]1(CO)CCOC1 ZINC000330910534 203380470 /nfs/dbraw/zinc/38/04/70/203380470.db2.gz VLTRLOUEYRYOGX-NSHDSACASA-N 1 1 270.289 -0.126 20 5 CBBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC(O)C1 ZINC000331609249 204008819 /nfs/dbraw/zinc/00/88/19/204008819.db2.gz PAUXQGINEIXBKG-BOBPJJCASA-N 1 1 270.289 -0.393 20 5 CBBDMO C[N@@H+]1C[C@H]2CN(c3ncc([N+](=O)[O-])c(N)n3)C[C@H]2C1 ZINC000278718253 372926122 /nfs/dbraw/zinc/92/61/22/372926122.db2.gz JVKRFGRCPTWWRC-OCAPTIKFSA-N 1 1 264.289 -0.035 20 5 CBBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H]1C ZINC000285820549 372945019 /nfs/dbraw/zinc/94/50/19/372945019.db2.gz WJXDPPKRODUBKK-DTWKUNHWSA-N 1 1 297.315 -0.155 20 5 CBBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H]1C ZINC000285820549 372945023 /nfs/dbraw/zinc/94/50/23/372945023.db2.gz WJXDPPKRODUBKK-DTWKUNHWSA-N 1 1 297.315 -0.155 20 5 CBBDMO C[N@H+]1CC[C@@](O)(CNc2ccncc2[N+](=O)[O-])C1 ZINC000361014762 373254730 /nfs/dbraw/zinc/25/47/30/373254730.db2.gz OMFCDWUNHTXVNL-LLVKDONJSA-N 1 1 252.274 -0.110 20 5 CBBDMO C[C@]1(C(N)=O)CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000361558174 373309857 /nfs/dbraw/zinc/30/98/57/373309857.db2.gz VAXNRHASEZXPSG-PWSUYJOCSA-N 1 1 297.315 -0.651 20 5 CBBDMO Nc1nc(N2CCC[N@@H+](CCO)CC2)ncc1[N+](=O)[O-] ZINC000264181397 190094539 /nfs/dbraw/zinc/09/45/39/190094539.db2.gz YVGFAVREJBTSOA-UHFFFAOYSA-N 1 1 282.304 -0.529 20 5 CBBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000356413961 248246609 /nfs/dbraw/zinc/24/66/09/248246609.db2.gz BKHWHBVILHDMTR-UWVGGRQHSA-N 1 1 296.331 -0.015 20 5 CBBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000356870083 248296132 /nfs/dbraw/zinc/29/61/32/248296132.db2.gz CXQPOMRPSYSSIA-RKDXNWHRSA-N 1 1 282.304 -0.263 20 5 CBBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347354847 218202399 /nfs/dbraw/zinc/20/23/99/218202399.db2.gz ZMLMSMLIBZNTOX-TXEJJXNPSA-N 1 1 297.311 -0.426 20 5 CBBDMO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(N)=O ZINC000429128772 208109524 /nfs/dbraw/zinc/10/95/24/208109524.db2.gz BWSKPPSBJVVJJZ-UHFFFAOYSA-N 1 1 255.278 -0.011 20 5 CBBDMO CCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC(N)=O ZINC000429128772 208109528 /nfs/dbraw/zinc/10/95/28/208109528.db2.gz BWSKPPSBJVVJJZ-UHFFFAOYSA-N 1 1 255.278 -0.011 20 5 CBBDMO C[C@H](O)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C)CO ZINC000190816986 419533249 /nfs/dbraw/zinc/53/32/49/419533249.db2.gz QMSURNZKPXZMGW-UWVGGRQHSA-N 1 1 272.305 -0.145 20 5 CBBDMO CC[N@@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000183952053 419514154 /nfs/dbraw/zinc/51/41/54/419514154.db2.gz CPXPHMSYWMNUAB-UHFFFAOYSA-N 1 1 297.315 -0.384 20 5 CBBDMO C[C@H]1C[N@H+](C)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000344420237 419770447 /nfs/dbraw/zinc/77/04/47/419770447.db2.gz GDPHXJUPQRMLNM-ZETCQYMHSA-N 1 1 252.278 0.107 20 5 CBBDMO C[C@H]1C[N@@H+](C)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000344420237 419770458 /nfs/dbraw/zinc/77/04/58/419770458.db2.gz GDPHXJUPQRMLNM-ZETCQYMHSA-N 1 1 252.278 0.107 20 5 CBBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@]1(CO)CCOC1 ZINC000359574064 419971981 /nfs/dbraw/zinc/97/19/81/419971981.db2.gz AZFFYNSNBKPKJN-NSHDSACASA-N 1 1 270.289 -0.126 20 5 CBBDMO C[C@H](CO)[N@H+]1CCCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000364957975 420050089 /nfs/dbraw/zinc/05/00/89/420050089.db2.gz XTTKCESFIDAOPW-SECBINFHSA-N 1 1 296.331 -0.140 20 5 CBBDMO O=C1NC[C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CC[C@H]12 ZINC000368232766 420127200 /nfs/dbraw/zinc/12/72/00/420127200.db2.gz SYZIAYHVIBYADT-KOLCDFICSA-N 1 1 279.300 -0.141 20 5 CBBDMO Cn1ccnc1[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCN1C ZINC000369650652 420163893 /nfs/dbraw/zinc/16/38/93/420163893.db2.gz XHPZILZWFIMMBC-MXWKQRLJSA-N 1 1 293.327 -0.100 20 5 CBBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405275567 420226351 /nfs/dbraw/zinc/22/63/51/420226351.db2.gz RHWDNKQPMHBGFB-NWDGAFQWSA-N 1 1 295.343 -0.149 20 5 CBBDMO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(N)=O ZINC000191731439 276134996 /nfs/dbraw/zinc/13/49/96/276134996.db2.gz YLZDJMKLWXOHSI-UHFFFAOYSA-N 1 1 268.273 -0.436 20 5 CBBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(N)=O ZINC000191731439 276134997 /nfs/dbraw/zinc/13/49/97/276134997.db2.gz YLZDJMKLWXOHSI-UHFFFAOYSA-N 1 1 268.273 -0.436 20 5 CBBDMO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCNC1=O ZINC000281979488 279213269 /nfs/dbraw/zinc/21/32/69/279213269.db2.gz WEQVCIUSYFPMEZ-NSHDSACASA-N 1 1 294.311 -0.033 20 5 CBBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCNC1=O ZINC000281979488 279213271 /nfs/dbraw/zinc/21/32/71/279213271.db2.gz WEQVCIUSYFPMEZ-NSHDSACASA-N 1 1 294.311 -0.033 20 5 CBBDMO O=C(C[NH2+]C(CO)CO)Nc1ccccc1[N+](=O)[O-] ZINC000583761377 329475359 /nfs/dbraw/zinc/47/53/59/329475359.db2.gz PBNTWWORLNFTDB-UHFFFAOYSA-N 1 1 269.257 -0.524 20 5 CBBDMO O=C1NC[C@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)CC[C@H]12 ZINC000377683061 534787762 /nfs/dbraw/zinc/78/77/62/534787762.db2.gz ZBURGBPWQXCGFE-UWVGGRQHSA-N 1 1 279.300 -0.141 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c1 ZINC000782616048 582369974 /nfs/dbraw/zinc/36/99/74/582369974.db2.gz LRGCNRLVKUOYHX-MVWJERBFSA-N 1 1 282.300 -0.534 20 5 CBBDMO NC(=O)[C@]1(O)CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000788473210 582386137 /nfs/dbraw/zinc/38/61/37/582386137.db2.gz IDTPJSZXMPDCNK-AAEUAGOBSA-N 1 1 295.295 -0.450 20 5 CBBDMO NC(=O)C[C@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000808229880 582442456 /nfs/dbraw/zinc/44/24/56/582442456.db2.gz VCESTRZFPGLNAX-MRVPVSSYSA-N 1 1 253.262 -0.054 20 5 CBBDMO NC(=O)C[C@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000808229880 582442457 /nfs/dbraw/zinc/44/24/57/582442457.db2.gz VCESTRZFPGLNAX-MRVPVSSYSA-N 1 1 253.262 -0.054 20 5 CBBDMO NC(=O)C[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000808227278 582442585 /nfs/dbraw/zinc/44/25/85/582442585.db2.gz AMIWNRLXJDIMNV-QMMMGPOBSA-N 1 1 253.262 -0.054 20 5 CBBDMO NC(=O)C[C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000808227278 582442586 /nfs/dbraw/zinc/44/25/86/582442586.db2.gz AMIWNRLXJDIMNV-QMMMGPOBSA-N 1 1 253.262 -0.054 20 5 CBBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC[C@H]21 ZINC000827335847 582811792 /nfs/dbraw/zinc/81/17/92/582811792.db2.gz AIOHPNCDYFGRFH-NXEZZACHSA-N 1 1 294.315 -0.261 20 5 CBBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC[C@@H]21 ZINC000827335850 582811914 /nfs/dbraw/zinc/81/19/14/582811914.db2.gz AIOHPNCDYFGRFH-ZJUUUORDSA-N 1 1 294.315 -0.261 20 5 CBBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839640905 583157246 /nfs/dbraw/zinc/15/72/46/583157246.db2.gz NGJSFTJEDAITRL-HBNTYKKESA-N 1 1 271.317 -0.121 20 5 CBBDMO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839640905 583157252 /nfs/dbraw/zinc/15/72/52/583157252.db2.gz NGJSFTJEDAITRL-HBNTYKKESA-N 1 1 271.317 -0.121 20 5 CBBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839640905 583157255 /nfs/dbraw/zinc/15/72/55/583157255.db2.gz NGJSFTJEDAITRL-HBNTYKKESA-N 1 1 271.317 -0.121 20 5 CBBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])[C@H]2C1 ZINC000839778073 583159667 /nfs/dbraw/zinc/15/96/67/583159667.db2.gz MPBBHMTXISTKBZ-WISYIIOYSA-N 1 1 283.328 -0.027 20 5 CBBDMO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])[C@H]2C1 ZINC000839778073 583159670 /nfs/dbraw/zinc/15/96/70/583159670.db2.gz MPBBHMTXISTKBZ-WISYIIOYSA-N 1 1 283.328 -0.027 20 5 CBBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])[C@H]2C1 ZINC000839778073 583159671 /nfs/dbraw/zinc/15/96/71/583159671.db2.gz MPBBHMTXISTKBZ-WISYIIOYSA-N 1 1 283.328 -0.027 20 5 CBBDMO COCCN(CC[NH+](C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840324333 583163770 /nfs/dbraw/zinc/16/37/70/583163770.db2.gz BPWRTUVEYAMJJK-NXEZZACHSA-N 1 1 259.306 -0.312 20 5 CBBDMO O=C1OC[C@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)C[C@@H]12 ZINC000860159473 583739633 /nfs/dbraw/zinc/73/96/33/583739633.db2.gz JIQKXTVESFRKPT-PSASIEDQSA-N 1 1 266.257 -0.104 20 5 CBBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000863832800 583859346 /nfs/dbraw/zinc/85/93/46/583859346.db2.gz FGBUOEXPMTVGOH-VIFPVBQESA-N 1 1 295.299 -0.632 20 5 CBBDMO Cn1ncc([N+](=O)[O-])c1NC[C@H]1C[N@@H+](C)CCN1C ZINC000892467664 584617046 /nfs/dbraw/zinc/61/70/46/584617046.db2.gz KCARCXMSNOFGQK-VIFPVBQESA-N 1 1 268.321 -0.014 20 5 CBBDMO O=C(C[NH2+][C@@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)N1CCC1 ZINC001020138997 658017612 /nfs/dbraw/zinc/01/76/12/658017612.db2.gz LWCOKHFKGWGFLQ-GWOFURMSSA-N 1 1 296.327 -0.879 20 5 CBBDMO O=[N+]([O-])c1ccn(CCN2CCNCC[NH2+]CC2)n1 ZINC000923461458 658290836 /nfs/dbraw/zinc/29/08/36/658290836.db2.gz ODZFXWMFALVVMN-UHFFFAOYSA-N 1 1 268.321 -0.714 20 5 CBBDMO C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985435298 659385805 /nfs/dbraw/zinc/38/58/05/659385805.db2.gz YMLJMKAFUXSEQQ-GHMZBOCLSA-N 1 1 271.317 -0.433 20 5 CBBDMO C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985435298 659385813 /nfs/dbraw/zinc/38/58/13/659385813.db2.gz YMLJMKAFUXSEQQ-GHMZBOCLSA-N 1 1 271.317 -0.433 20 5 CBBDMO C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985435298 659385820 /nfs/dbraw/zinc/38/58/20/659385820.db2.gz YMLJMKAFUXSEQQ-GHMZBOCLSA-N 1 1 271.317 -0.433 20 5 CBBDMO C[N@H+]1CCO[C@@H]2CN(c3cc([N+](=O)[O-])cc[n+]3[O-])C[C@@H]21 ZINC001164672019 719370987 /nfs/dbraw/zinc/37/09/87/719370987.db2.gz XXMQVJFCOCXTHX-WDEREUQCSA-N 1 1 280.284 -0.253 20 5 CBBDMO C[N@H+]1CCO[C@H]2CN(c3cc([N+](=O)[O-])cc[n+]3[O-])C[C@@H]21 ZINC001164672018 719371407 /nfs/dbraw/zinc/37/14/07/719371407.db2.gz XXMQVJFCOCXTHX-QWRGUYRKSA-N 1 1 280.284 -0.253 20 5 CBBDMO Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC001022063943 790985929 /nfs/dbraw/zinc/98/59/29/790985929.db2.gz QHMJOYUWBLQVGJ-WRWGMCAJSA-N 1 1 293.327 -0.178 20 5 CBBDMO Cn1cncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001022064114 790986062 /nfs/dbraw/zinc/98/60/62/790986062.db2.gz WXBKNNWZWRRVQP-RBLKWDMZSA-N 1 1 293.327 -0.178 20 5 CBBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cnns2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022064081 790987913 /nfs/dbraw/zinc/98/79/13/790987913.db2.gz VBSFHCZTAZWXAO-BKFJMODKSA-N 1 1 297.340 -0.060 20 5 CBBDMO Cn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001022064082 790988015 /nfs/dbraw/zinc/98/80/15/790988015.db2.gz VGCTZQGIWWRBCS-JZSSXWJLSA-N 1 1 294.315 -0.783 20 5 CBBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001048812300 801972444 /nfs/dbraw/zinc/97/24/44/801972444.db2.gz FRJALZRAJMKKRY-WRWGMCAJSA-N 1 1 283.328 -0.576 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC001048812300 801972447 /nfs/dbraw/zinc/97/24/47/801972447.db2.gz FRJALZRAJMKKRY-WRWGMCAJSA-N 1 1 283.328 -0.576 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001048812300 801972452 /nfs/dbraw/zinc/97/24/52/801972452.db2.gz FRJALZRAJMKKRY-WRWGMCAJSA-N 1 1 283.328 -0.576 20 5 CBBDMO COCCO[C@@H]1C[C@@H](CO)C[N@H+](CC[N+](=O)[O-])C1 ZINC001119855041 812896516 /nfs/dbraw/zinc/89/65/16/812896516.db2.gz LYELNJURTPXHHN-GHMZBOCLSA-N 1 1 262.306 -0.391 20 5 CBBDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](CC[N+](=O)[O-])C1 ZINC001119855041 812896520 /nfs/dbraw/zinc/89/65/20/812896520.db2.gz LYELNJURTPXHHN-GHMZBOCLSA-N 1 1 262.306 -0.391 20 5 CBBDMO CN(CC[N@@H+](C)CCO)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001149207176 814976742 /nfs/dbraw/zinc/97/67/42/814976742.db2.gz YGZKITOIZNHJNK-UHFFFAOYSA-N 1 1 285.304 -0.676 20 5 CBBDMO NC(=O)C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001324141729 804112473 /nfs/dbraw/zinc/11/24/73/804112473.db2.gz NBKJLHYCLBNFQS-JTQLQIEISA-N 1 1 294.311 -0.046 20 5 CBBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@H+](CCO)C2 ZINC001072725413 805330294 /nfs/dbraw/zinc/33/02/94/805330294.db2.gz MDICNLRDLXWOOE-NXEZZACHSA-N 1 1 269.301 -0.822 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001072725413 805330305 /nfs/dbraw/zinc/33/03/05/805330305.db2.gz MDICNLRDLXWOOE-NXEZZACHSA-N 1 1 269.301 -0.822 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[N@H+](CCO)C2 ZINC001072725413 805330312 /nfs/dbraw/zinc/33/03/12/805330312.db2.gz MDICNLRDLXWOOE-NXEZZACHSA-N 1 1 269.301 -0.822 20 5 CBBDMO Cc1nc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)ncc1[N+](=O)[O-] ZINC001155578825 815297923 /nfs/dbraw/zinc/29/79/23/815297923.db2.gz BWAYSKURSDVBAJ-KWQFWETISA-N 1 1 278.272 -0.317 20 5 CBBDMO O=C(NC[C@H]1C[C@H]([NH2+]CCO)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363648 810265088 /nfs/dbraw/zinc/26/50/88/810265088.db2.gz DXHSMKWTFNQGIO-ZYUZMQFOSA-N 1 1 257.290 -0.872 20 5 CBBDMO Cn1cc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])nn1 ZINC001157767407 815462623 /nfs/dbraw/zinc/46/26/23/815462623.db2.gz LZPZCHDRXLWITP-NXEZZACHSA-N 1 1 282.304 -0.924 20 5 CBBDMO CCn1nncc1C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157767788 815463131 /nfs/dbraw/zinc/46/31/31/815463131.db2.gz UORJZAIHRMRBSY-GHMZBOCLSA-N 1 1 296.331 -0.441 20 5 CBBDMO COC(=O)c1ccc([N+](=O)[O-])c(-n2cnc(C[NH3+])n2)n1 ZINC001157931692 815484947 /nfs/dbraw/zinc/48/49/47/815484947.db2.gz UNENQFAPYPCXKM-UHFFFAOYSA-N 1 1 278.228 -0.184 20 5 CBBDMO NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001115530717 812198381 /nfs/dbraw/zinc/19/83/81/812198381.db2.gz NGQXGFFBDFOLEZ-NXEZZACHSA-N 1 1 298.343 -0.454 20 5 CBBDMO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001118808218 812632090 /nfs/dbraw/zinc/63/20/90/812632090.db2.gz OYHYMTWAMLKWLC-SSDOTTSWSA-N 1 1 291.333 -0.538 20 5 CBBDMO CN1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC[N@H+](C)CC1 ZINC001119992661 812921057 /nfs/dbraw/zinc/92/10/57/812921057.db2.gz QRTOGZQMONYENR-UHFFFAOYSA-N 1 1 296.331 -0.363 20 5 CBBDMO CN1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC[N@@H+](C)CC1 ZINC001119992661 812921061 /nfs/dbraw/zinc/92/10/61/812921061.db2.gz QRTOGZQMONYENR-UHFFFAOYSA-N 1 1 296.331 -0.363 20 5 CBBDMO COc1nc(N[C@@H](N)CCC[NH3+])nc(OC)c1[N+](=O)[O-] ZINC001159785539 815594652 /nfs/dbraw/zinc/59/46/52/815594652.db2.gz PSJXIGVJFWXWFX-ZCFIWIBFSA-N 1 1 286.292 -0.162 20 5 CBBDMO O=C(NCC[NH2+]CCOCC(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC001126949146 813696412 /nfs/dbraw/zinc/69/64/12/813696412.db2.gz NLXFAZDLIUUZBU-HTQZYQBOSA-N 1 1 299.249 -0.064 20 5 CBBDMO CCn1nnc(C)c1C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126936492 813697641 /nfs/dbraw/zinc/69/76/41/813697641.db2.gz LLKOKPCKPFCUKG-NXEZZACHSA-N 1 1 296.331 -0.523 20 5 CBBDMO C[NH+]1CCN(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC001136076541 814551721 /nfs/dbraw/zinc/55/17/21/814551721.db2.gz OSEBMYWFHBHENG-UHFFFAOYSA-N 1 1 282.304 -0.705 20 5 CBBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001138061747 814598334 /nfs/dbraw/zinc/59/83/34/814598334.db2.gz TYVGEXYCKLUVDO-ZDUSSCGKSA-N 1 1 294.311 -0.027 20 5 CBBDMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001142518923 814715864 /nfs/dbraw/zinc/71/58/64/814715864.db2.gz HZWYYLXEAPGUNJ-RKDXNWHRSA-N 1 1 297.315 -0.155 20 5 CBBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001142518923 814715867 /nfs/dbraw/zinc/71/58/67/814715867.db2.gz HZWYYLXEAPGUNJ-RKDXNWHRSA-N 1 1 297.315 -0.155 20 5 CBBDMO C[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC001147350941 814889687 /nfs/dbraw/zinc/88/96/87/814889687.db2.gz DQDCNLOLHVOGJJ-PSASIEDQSA-N 1 1 296.331 -0.318 20 5 CBBDMO CC[C@@]([NH3+])(CO)Nc1ncc([N+](=O)[O-])c(OC)n1 ZINC001159739748 815591175 /nfs/dbraw/zinc/59/11/75/815591175.db2.gz MYRNAONHOYPKQE-VIFPVBQESA-N 1 1 257.250 -0.137 20 5 CBBDMO Cc1nc(NCCN2CC[NH2+]CC2=O)ncc1[N+](=O)[O-] ZINC001161025604 815699719 /nfs/dbraw/zinc/69/97/19/815699719.db2.gz VTLNYAHETKFZDJ-UHFFFAOYSA-N 1 1 280.288 -0.463 20 5 CBBDMO [NH3+][C@@H]1NCN(c2ncc(Cl)cc2[N+](=O)[O-])[C@@H]2NCN[C@@H]21 ZINC001162436802 815820536 /nfs/dbraw/zinc/82/05/36/815820536.db2.gz PULQHMJIOSIWIZ-MRTMQBJTSA-N 1 1 299.722 -0.860 20 5 CBBDMO C[C@H](O)C[NH+]1CCN(c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001163112430 815860438 /nfs/dbraw/zinc/86/04/38/815860438.db2.gz HHEULQQLIWMFIR-VIFPVBQESA-N 1 1 269.305 -0.169 20 5 CBBDMO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ncc([N+](=O)[O-])cn2)N1 ZINC001163238088 815868371 /nfs/dbraw/zinc/86/83/71/815868371.db2.gz LMNHFBBBDZQBAJ-OIBJUYFYSA-N 1 1 264.245 -0.625 20 5 CBBDMO C[N@@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@H](CO)C1 ZINC001301605513 816749559 /nfs/dbraw/zinc/74/95/59/816749559.db2.gz PGBRPDKFNWEGCF-NSHDSACASA-N 1 1 297.315 -0.684 20 5 CBBDMO C[N@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@H](CO)C1 ZINC001301605513 816749565 /nfs/dbraw/zinc/74/95/65/816749565.db2.gz PGBRPDKFNWEGCF-NSHDSACASA-N 1 1 297.315 -0.684 20 5 CBBDMO CC(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001307857864 816814549 /nfs/dbraw/zinc/81/45/49/816814549.db2.gz ZZTHNRAUZKEMRV-ZYHUDNBSSA-N 1 1 297.315 -0.637 20 5 CBBDMO NC(=O)[C@@H]1CN(c2cccc([N+](=O)[O-])n2)CC[NH2+]1 ZINC001166724914 820029029 /nfs/dbraw/zinc/02/90/29/820029029.db2.gz ZTWIQBFSTDBRFI-ZETCQYMHSA-N 1 1 251.246 -0.747 20 5 CBBDMO CCOc1nc(N2CC[NH2+][C@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC001166725558 820031023 /nfs/dbraw/zinc/03/10/23/820031023.db2.gz PFSPAACHMYENFY-QMMMGPOBSA-N 1 1 295.299 -0.348 20 5 CBBDMO N=c1cc(C[NH3+])ncn1-c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001167355054 820083470 /nfs/dbraw/zinc/08/34/70/820083470.db2.gz OFBGSRIWQCZRQH-UHFFFAOYSA-N 1 1 289.255 -0.787 20 5 CBBDMO COc1nc(C)nc(-n2cnc(C[NH3+])cc2=N)c1[N+](=O)[O-] ZINC001167351072 820084111 /nfs/dbraw/zinc/08/41/11/820084111.db2.gz AWSQPPOEHAQQOK-UHFFFAOYSA-N 1 1 291.271 -0.174 20 5 CBBDMO O=C1COC[C@@H]2C[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CCN12 ZINC001169035522 820202372 /nfs/dbraw/zinc/20/23/72/820202372.db2.gz BRRJJNIHAYTJDF-WOPDTQHZSA-N 1 1 283.328 -0.025 20 5 CBBDMO CC[C@@]([NH3+])(CO)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001170857928 820328408 /nfs/dbraw/zinc/32/84/08/820328408.db2.gz LGJJFNVZNOTZGH-JTQLQIEISA-N 1 1 269.261 -0.442 20 5 CBBDMO CC1([NH2+]CCO)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001281490463 828419154 /nfs/dbraw/zinc/41/91/54/828419154.db2.gz YQIBHZDUUCTCCS-NXEZZACHSA-N 1 1 271.317 -0.385 20 5 CBBDMO NC(=O)[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1C(N)=O ZINC001196092551 824148020 /nfs/dbraw/zinc/14/80/20/824148020.db2.gz INAXHTUOIYMNLX-PHIMTYICSA-N 1 1 292.295 -0.387 20 5 CBBDMO CN(C)C(=O)C[N@@H+]1CCCN(CC[N+](=O)[O-])CC1 ZINC001197808677 824202960 /nfs/dbraw/zinc/20/29/60/824202960.db2.gz IUQGRUIQSSKECO-UHFFFAOYSA-N 1 1 258.322 -0.641 20 5 CBBDMO CN(C)C(=O)C[N@H+]1CCCN(CC[N+](=O)[O-])CC1 ZINC001197808677 824202963 /nfs/dbraw/zinc/20/29/63/824202963.db2.gz IUQGRUIQSSKECO-UHFFFAOYSA-N 1 1 258.322 -0.641 20 5 CBBDMO O=[N+]([O-])CC[NH2+]CCS(=O)(=O)C1CCOCC1 ZINC001262490130 826694273 /nfs/dbraw/zinc/69/42/73/826694273.db2.gz PYKAREZWIFYLQO-UHFFFAOYSA-N 1 1 266.319 -0.554 20 5 CBBDMO O=C(NC[C@H]1C[C@@H]([NH2+]CCCO)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001263832385 826783928 /nfs/dbraw/zinc/78/39/28/826783928.db2.gz PMKDDZCODFYTDM-LMLFDSFASA-N 1 1 271.317 -0.482 20 5 CBBDMO CC[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001271038749 827617439 /nfs/dbraw/zinc/61/74/39/827617439.db2.gz SFQGUHGQXLGKSJ-NXEZZACHSA-N 1 1 271.317 -0.074 20 5 CBBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001331704530 886921384 /nfs/dbraw/zinc/92/13/84/886921384.db2.gz XORPYKNMBPWODE-ZJUUUORDSA-N 1 1 253.258 -0.225 20 5 CBBDMO O=[N+]([O-])c1ncccc1C[N@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001331704530 886921396 /nfs/dbraw/zinc/92/13/96/886921396.db2.gz XORPYKNMBPWODE-ZJUUUORDSA-N 1 1 253.258 -0.225 20 5 CBBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001331704528 886922033 /nfs/dbraw/zinc/92/20/33/886922033.db2.gz XORPYKNMBPWODE-VHSXEESVSA-N 1 1 253.258 -0.225 20 5 CBBDMO O=[N+]([O-])c1ncccc1C[N@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001331704528 886922050 /nfs/dbraw/zinc/92/20/50/886922050.db2.gz XORPYKNMBPWODE-VHSXEESVSA-N 1 1 253.258 -0.225 20 5 CBBDMO Cn1c(C[N+](=O)[O-])nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001339666221 889308792 /nfs/dbraw/zinc/30/87/92/889308792.db2.gz LPBYVTVDUZYENQ-SECBINFHSA-N 1 1 282.304 -0.887 20 5 CBBDMO Cn1c(C[N+](=O)[O-])nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001339666221 889308799 /nfs/dbraw/zinc/30/87/99/889308799.db2.gz LPBYVTVDUZYENQ-SECBINFHSA-N 1 1 282.304 -0.887 20 5 CBBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC([NH2+]C2COC2)C1 ZINC001456514704 914484170 /nfs/dbraw/zinc/48/41/70/914484170.db2.gz FRILMHFLYDZJHB-UHFFFAOYSA-N 1 1 267.245 -0.869 20 5 CBBDMO CC(C)(CCC(=O)N1CC[NH+](CCO)CC1)[N+](=O)[O-] ZINC001441091061 911609948 /nfs/dbraw/zinc/60/99/48/911609948.db2.gz VGTIEZSUSLKLGR-UHFFFAOYSA-N 1 1 273.333 -0.042 20 5 CBBDMO COCC[N@@H+](C)CCNC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC001464790695 915010267 /nfs/dbraw/zinc/01/02/67/915010267.db2.gz LHBWOIUOCLITNQ-UHFFFAOYSA-N 1 1 299.331 -0.206 20 5 CBBDMO O=C(CC[NH+]1CCOCC1)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001471841517 915647902 /nfs/dbraw/zinc/64/79/02/915647902.db2.gz JWERWTMRZJQMGB-UHFFFAOYSA-N 1 1 269.261 -0.021 20 5 CBBDMO NC(=O)[C@@H]1CN(c2cc(F)c([N+](=O)[O-])cc2CO)CC[NH2+]1 ZINC001472648231 915758147 /nfs/dbraw/zinc/75/81/47/915758147.db2.gz BCTUQNXNVLREFG-VIFPVBQESA-N 1 1 298.274 -0.510 20 5 CBBDMO Cn1cc(C[NH+]2CCC(OCC(N)=O)CC2)c([N+](=O)[O-])n1 ZINC001473213031 915799299 /nfs/dbraw/zinc/79/92/99/915799299.db2.gz LGJXLWFDVIZPAD-UHFFFAOYSA-N 1 1 297.315 -0.205 20 5 CBBDMO Cn1cc(C[N@H+]2C[C@H](CO)[C@@H](CCO)C2)c([N+](=O)[O-])n1 ZINC001473894407 915881060 /nfs/dbraw/zinc/88/10/60/915881060.db2.gz XGDFYTVPEQTUAO-GXSJLCMTSA-N 1 1 284.316 -0.249 20 5 CBBDMO O=C(NC[C@H]1C[C@H]([NH2+]CCCO)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001479367686 916123678 /nfs/dbraw/zinc/12/36/78/916123678.db2.gz PMKDDZCODFYTDM-GWOFURMSSA-N 1 1 271.317 -0.482 20 5 CBBDMO COCC[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001496698142 920114494 /nfs/dbraw/zinc/11/44/94/920114494.db2.gz JTGSQWVMZLBJFY-NXEZZACHSA-N 1 1 259.306 -0.312 20 5 CBBDMO COCC[N@H+](C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001496698142 920114501 /nfs/dbraw/zinc/11/45/01/920114501.db2.gz JTGSQWVMZLBJFY-NXEZZACHSA-N 1 1 259.306 -0.312 20 5 CBBDMO COCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001496698142 920114504 /nfs/dbraw/zinc/11/45/04/920114504.db2.gz JTGSQWVMZLBJFY-NXEZZACHSA-N 1 1 259.306 -0.312 20 5 CBBDMO C[N@H+]1CC[C@@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001538351254 923243527 /nfs/dbraw/zinc/24/35/27/923243527.db2.gz FUMOPIAXHXXKHM-SSDOTTSWSA-N 1 1 254.250 -0.993 20 5 CBBDMO C[N@@H+](CCOCCO)CCn1cc([N+](=O)[O-])ccc1=O ZINC000337418851 214069143 /nfs/dbraw/zinc/06/91/43/214069143.db2.gz AIIZYROZXXXWDL-UHFFFAOYSA-N 1 1 285.300 -0.303 20 5 CBBDMO NC(=O)C[C@H]([NH3+])C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000269585784 190516214 /nfs/dbraw/zinc/51/62/14/190516214.db2.gz CGLIHFPXEUKTCL-QMMMGPOBSA-N 1 1 295.299 -0.674 20 5 CBBDMO CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)CO ZINC000339625930 215275411 /nfs/dbraw/zinc/27/54/11/215275411.db2.gz GDUIZOIPEKVSIF-ONGXEEELSA-N 1 1 272.305 -0.145 20 5 CBBDMO CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)CO ZINC000339625928 215276763 /nfs/dbraw/zinc/27/67/63/215276763.db2.gz GDUIZOIPEKVSIF-GXSJLCMTSA-N 1 1 272.305 -0.145 20 5 CBBDMO Cc1nn(C)c(NC2CC[NH+](CC(N)=O)CC2)c1[N+](=O)[O-] ZINC000037998831 351411237 /nfs/dbraw/zinc/41/12/37/351411237.db2.gz LZWLWNYTLUXGIR-UHFFFAOYSA-N 1 1 296.331 -0.002 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[NH+](C2CCOCC2)CC1 ZINC000081035493 351702885 /nfs/dbraw/zinc/70/28/85/351702885.db2.gz UDBMVQSVNDNUIZ-NEPJUHHUSA-N 1 1 283.328 -0.025 20 5 CBBDMO CCNC(=O)C[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075642595 351670247 /nfs/dbraw/zinc/67/02/47/351670247.db2.gz ILWUCBVTSOWPLN-SNVBAGLBSA-N 1 1 285.304 -0.780 20 5 CBBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC(C)(C)O ZINC000075746096 351671228 /nfs/dbraw/zinc/67/12/28/351671228.db2.gz GCXZQCZBCAFYFG-JTQLQIEISA-N 1 1 272.305 -0.145 20 5 CBBDMO NS(=O)(=O)[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000339841302 215359738 /nfs/dbraw/zinc/35/97/38/215359738.db2.gz PHESPAAIZFBOKM-VIFPVBQESA-N 1 1 289.317 -0.846 20 5 CBBDMO NS(=O)(=O)[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000339841302 215359740 /nfs/dbraw/zinc/35/97/40/215359740.db2.gz PHESPAAIZFBOKM-VIFPVBQESA-N 1 1 289.317 -0.846 20 5 CBBDMO CNC(=O)[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090519163 351740573 /nfs/dbraw/zinc/74/05/73/351740573.db2.gz IYVMZOYMNZWXCF-LLVKDONJSA-N 1 1 294.311 -0.033 20 5 CBBDMO CNC(=O)[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090519163 351740575 /nfs/dbraw/zinc/74/05/75/351740575.db2.gz IYVMZOYMNZWXCF-LLVKDONJSA-N 1 1 294.311 -0.033 20 5 CBBDMO NC(=O)[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174847958 352052500 /nfs/dbraw/zinc/05/25/00/352052500.db2.gz UZKBPZFXZMXXSU-SECBINFHSA-N 1 1 253.262 -0.259 20 5 CBBDMO NC(=O)[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174847958 352052501 /nfs/dbraw/zinc/05/25/01/352052501.db2.gz UZKBPZFXZMXXSU-SECBINFHSA-N 1 1 253.262 -0.259 20 5 CBBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@@H](O)C[C@H]2CO)c1 ZINC000186531010 352127651 /nfs/dbraw/zinc/12/76/51/352127651.db2.gz HYFHKAKOLMQRPL-WPRPVWTQSA-N 1 1 256.262 -0.781 20 5 CBBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@@H](O)C[C@H]2CO)n1 ZINC000186542236 352128888 /nfs/dbraw/zinc/12/88/88/352128888.db2.gz LJWMXKDUIBZBJP-IUCAKERBSA-N 1 1 256.262 -0.781 20 5 CBBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC(F)(F)C[NH3+] ZINC000190309582 352179859 /nfs/dbraw/zinc/17/98/59/352179859.db2.gz XUERRDFCLFOQDU-UHFFFAOYSA-N 1 1 277.231 -0.190 20 5 CBBDMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1CO ZINC000190906725 352185407 /nfs/dbraw/zinc/18/54/07/352185407.db2.gz JUQJNGNJBWVYKM-JFGNBEQYSA-N 1 1 284.316 -0.288 20 5 CBBDMO CN1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O ZINC000191135620 352186797 /nfs/dbraw/zinc/18/67/97/352186797.db2.gz OQJLGTCVVZHCMG-LLVKDONJSA-N 1 1 297.315 -0.684 20 5 CBBDMO CN1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O ZINC000191135620 352186800 /nfs/dbraw/zinc/18/68/00/352186800.db2.gz OQJLGTCVVZHCMG-LLVKDONJSA-N 1 1 297.315 -0.684 20 5 CBBDMO C[C@@H](O)C[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247525540 352347329 /nfs/dbraw/zinc/34/73/29/352347329.db2.gz NTJYTNGCEUJWMW-PSASIEDQSA-N 1 1 258.278 -0.535 20 5 CBBDMO Cc1ccnc(N2CC[NH2+][C@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000265157644 352445760 /nfs/dbraw/zinc/44/57/60/352445760.db2.gz CYTKVZBVFXKUHU-QMMMGPOBSA-N 1 1 265.273 -0.438 20 5 CBBDMO Cc1cc(N2CC[NH2+][C@@H](C(N)=O)C2)ncc1[N+](=O)[O-] ZINC000266806265 352448417 /nfs/dbraw/zinc/44/84/17/352448417.db2.gz DPSFKZCDNBZWFY-MRVPVSSYSA-N 1 1 265.273 -0.438 20 5 CBBDMO C[C@@H](CO)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000282804666 352611206 /nfs/dbraw/zinc/61/12/06/352611206.db2.gz OUMRRMWTKFTDOE-WPRPVWTQSA-N 1 1 258.278 -0.535 20 5 CBBDMO C[C@@H](CO)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000282804663 352611740 /nfs/dbraw/zinc/61/17/40/352611740.db2.gz OUMRRMWTKFTDOE-WCBMZHEXSA-N 1 1 258.278 -0.535 20 5 CBBDMO COC[C@H]1CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000293516159 352693435 /nfs/dbraw/zinc/69/34/35/352693435.db2.gz IJIWMWSMMXDVDX-KOLCDFICSA-N 1 1 270.289 -0.127 20 5 CBBDMO CC1(C)CN(c2ncc([N+](=O)[O-])c(N)n2)CC[N@H+]1CCO ZINC000302530364 352741345 /nfs/dbraw/zinc/74/13/45/352741345.db2.gz LFNVMDXHHMGBLI-UHFFFAOYSA-N 1 1 296.331 -0.140 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H](CO)C2)c1 ZINC000304380526 352746354 /nfs/dbraw/zinc/74/63/54/352746354.db2.gz YFEHPDRWCVORFL-JQWIXIFHSA-N 1 1 284.316 -0.144 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2C[C@@H](F)C[C@H]2CO)c1 ZINC000330557259 352847409 /nfs/dbraw/zinc/84/74/09/352847409.db2.gz HVPIISYFOIASRF-QXEWZRGKSA-N 1 1 288.279 -0.443 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2C[C@@H](F)C[C@H]2CO)c1 ZINC000330557259 352847413 /nfs/dbraw/zinc/84/74/13/352847413.db2.gz HVPIISYFOIASRF-QXEWZRGKSA-N 1 1 288.279 -0.443 20 5 CBBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1(CO)CCC1 ZINC000292270525 198225523 /nfs/dbraw/zinc/22/55/23/198225523.db2.gz ZPAZPEYWTHOYGT-NSHDSACASA-N 1 1 284.316 -0.001 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000338373664 353099754 /nfs/dbraw/zinc/09/97/54/353099754.db2.gz YCCQKNFJMFYFLL-SDDRHHMPSA-N 1 1 298.299 -0.748 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000338373664 353099755 /nfs/dbraw/zinc/09/97/55/353099755.db2.gz YCCQKNFJMFYFLL-SDDRHHMPSA-N 1 1 298.299 -0.748 20 5 CBBDMO C[C@@H]1C[C@@H](O)C[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000340973313 353195595 /nfs/dbraw/zinc/19/55/95/353195595.db2.gz PKHWYFCBFFOZFG-IEBDPFPHSA-N 1 1 270.289 -0.393 20 5 CBBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1COC[C@@H]1O ZINC000352801306 353506637 /nfs/dbraw/zinc/50/66/37/353506637.db2.gz JVAKOYWVQAIGFC-QWRGUYRKSA-N 1 1 283.284 -0.552 20 5 CBBDMO C[N@H+]1CC[C@](O)(CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000358043427 353621038 /nfs/dbraw/zinc/62/10/38/353621038.db2.gz HOEPZCGMFVLZGN-LBPRGKRZSA-N 1 1 297.315 -0.636 20 5 CBBDMO CCc1n[nH]c(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000358428515 353643605 /nfs/dbraw/zinc/64/36/05/353643605.db2.gz WRLBPSWOQCUIKK-GFCCVEGCSA-N 1 1 297.315 -0.323 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000376122132 353772120 /nfs/dbraw/zinc/77/21/20/353772120.db2.gz FHLQFYDFCPKAMS-GMTAPVOTSA-N 1 1 268.317 -0.842 20 5 CBBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000408024335 353827683 /nfs/dbraw/zinc/82/76/83/353827683.db2.gz ZNJUEUZCCFNAQT-SNVBAGLBSA-N 1 1 294.315 -0.117 20 5 CBBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)[C@H]2C1 ZINC000408145360 353858094 /nfs/dbraw/zinc/85/80/94/353858094.db2.gz RSWQYSBIWCNDFB-ZJUUUORDSA-N 1 1 294.315 -0.261 20 5 CBBDMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1cc([N+](=O)[O-])n[nH]1 ZINC000452349306 354349185 /nfs/dbraw/zinc/34/91/85/354349185.db2.gz BLVGFSPULJCFTI-VIFPVBQESA-N 1 1 297.315 -0.106 20 5 CBBDMO C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[N@@H+]1CCO ZINC000490030608 354438120 /nfs/dbraw/zinc/43/81/20/354438120.db2.gz YPGFAZWYGBXZFR-SECBINFHSA-N 1 1 269.305 -0.169 20 5 CBBDMO C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[N@H+]1CCO ZINC000490030608 354438123 /nfs/dbraw/zinc/43/81/23/354438123.db2.gz YPGFAZWYGBXZFR-SECBINFHSA-N 1 1 269.305 -0.169 20 5 CBBDMO C[N@@H+](CCNC(=O)Cn1cnc([N+](=O)[O-])n1)C1CC1 ZINC000479135285 354407405 /nfs/dbraw/zinc/40/74/05/354407405.db2.gz VZEMQZZFTGMAKN-UHFFFAOYSA-N 1 1 268.277 -0.603 20 5 CBBDMO C[C@]1(F)C[NH2+]CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000566250246 354759799 /nfs/dbraw/zinc/75/97/99/354759799.db2.gz CBXJQPRSIPAONK-NSHDSACASA-N 1 1 285.279 -0.049 20 5 CBBDMO NC(=O)c1ccc(C[NH2+]C(CO)CO)c([N+](=O)[O-])c1 ZINC000570407793 354861176 /nfs/dbraw/zinc/86/11/76/354861176.db2.gz LPNVTQWTJFTHBC-UHFFFAOYSA-N 1 1 269.257 -0.864 20 5 CBBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](CO)[C@@H](O)C2)n1 ZINC000578466858 354946331 /nfs/dbraw/zinc/94/63/31/354946331.db2.gz UTZNJPLECJCDRB-ZJUUUORDSA-N 1 1 270.289 -0.534 20 5 CBBDMO CN1C[C@H]2[C@@H](CC[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000590010463 355072586 /nfs/dbraw/zinc/07/25/86/355072586.db2.gz IUZBDAOGKHMKIG-UHTWSYAYSA-N 1 1 295.343 -0.212 20 5 CBBDMO C[N@H+]1C[C@H]2[C@@H](CCN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000590010463 355072590 /nfs/dbraw/zinc/07/25/90/355072590.db2.gz IUZBDAOGKHMKIG-UHTWSYAYSA-N 1 1 295.343 -0.212 20 5 CBBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000590010463 355072592 /nfs/dbraw/zinc/07/25/92/355072592.db2.gz IUZBDAOGKHMKIG-UHTWSYAYSA-N 1 1 295.343 -0.212 20 5 CBBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)[C@@H]1C[N@H+](C)CCO1 ZINC000586799496 355053653 /nfs/dbraw/zinc/05/36/53/355053653.db2.gz KKQNCYACKQSVNC-APPZFPTMSA-N 1 1 283.288 -0.233 20 5 CBBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000586799496 355053656 /nfs/dbraw/zinc/05/36/56/355053656.db2.gz KKQNCYACKQSVNC-APPZFPTMSA-N 1 1 283.288 -0.233 20 5 CBBDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000592195156 355138862 /nfs/dbraw/zinc/13/88/62/355138862.db2.gz JKKBIOBMKWRSQW-MWLCHTKSSA-N 1 1 298.299 -0.353 20 5 CBBDMO COC(=O)[C@H]1C[C@H](O)C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000592195158 355139288 /nfs/dbraw/zinc/13/92/88/355139288.db2.gz JKKBIOBMKWRSQW-ONGXEEELSA-N 1 1 298.299 -0.353 20 5 CBBDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000592198822 355140263 /nfs/dbraw/zinc/14/02/63/355140263.db2.gz OYKQFOSXJUGEKQ-ZJUUUORDSA-N 1 1 298.299 -0.353 20 5 CBBDMO Cc1nn(C)c(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000593506772 355208102 /nfs/dbraw/zinc/20/81/02/355208102.db2.gz BMBKKKXAAKRASU-SNVBAGLBSA-N 1 1 281.316 -0.108 20 5 CBBDMO Cc1nn(C)c(N2CC([N@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000593506772 355208104 /nfs/dbraw/zinc/20/81/04/355208104.db2.gz BMBKKKXAAKRASU-SNVBAGLBSA-N 1 1 281.316 -0.108 20 5 CBBDMO COC[C@H]1C[C@@H](O)C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000593065746 355191607 /nfs/dbraw/zinc/19/16/07/355191607.db2.gz AXGGBUSAARXHSC-VXGBXAGGSA-N 1 1 297.311 -0.162 20 5 CBBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)c1 ZINC000593095823 355193609 /nfs/dbraw/zinc/19/36/09/355193609.db2.gz AZMVWDKEKFQKNA-NIHYUSDNSA-N 1 1 270.314 -0.004 20 5 CBBDMO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)c1 ZINC000593095823 355193612 /nfs/dbraw/zinc/19/36/12/355193612.db2.gz AZMVWDKEKFQKNA-NIHYUSDNSA-N 1 1 270.314 -0.004 20 5 CBBDMO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593248928 355198368 /nfs/dbraw/zinc/19/83/68/355198368.db2.gz HIECOVQWTKFPQE-SNVBAGLBSA-N 1 1 280.284 -0.186 20 5 CBBDMO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593248928 355198370 /nfs/dbraw/zinc/19/83/70/355198370.db2.gz HIECOVQWTKFPQE-SNVBAGLBSA-N 1 1 280.284 -0.186 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@]3(O)C[C@H]3C2)c1 ZINC000595757617 355305781 /nfs/dbraw/zinc/30/57/81/355305781.db2.gz NZVOCDSYWWRSQB-MVWJERBFSA-N 1 1 282.300 -0.391 20 5 CBBDMO NC(=O)[C@@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])CC[NH2+]1 ZINC000596064917 355340002 /nfs/dbraw/zinc/34/00/02/355340002.db2.gz CVKRHCKLCQCMQQ-ZETCQYMHSA-N 1 1 285.691 -0.093 20 5 CBBDMO C[C@@H]([NH3+])C[C@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599097297 355463606 /nfs/dbraw/zinc/46/36/06/355463606.db2.gz AVATUOAQHBJTEE-RQJHMYQMSA-N 1 1 291.333 -0.268 20 5 CBBDMO C[C@H](C[NH3+])CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599102808 355464564 /nfs/dbraw/zinc/46/45/64/355464564.db2.gz RTUIBMDSIAYSEQ-ZCFIWIBFSA-N 1 1 277.306 -0.799 20 5 CBBDMO Cn1cnc([N+](=O)[O-])c1NCC[N@H+]1CC[C@@H](O)C1 ZINC000599176386 355470105 /nfs/dbraw/zinc/47/01/05/355470105.db2.gz SIINGAOTSNATMO-MRVPVSSYSA-N 1 1 255.278 -0.193 20 5 CBBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCN(C)C2)n1 ZINC000599218257 355473370 /nfs/dbraw/zinc/47/33/70/355473370.db2.gz OJZCCKATQLTVRM-ZETCQYMHSA-N 1 1 289.317 -0.689 20 5 CBBDMO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000599940243 355519983 /nfs/dbraw/zinc/51/99/83/355519983.db2.gz NDZACYUSOMZZIC-BDAKNGLRSA-N 1 1 295.299 -0.401 20 5 CBBDMO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000599940245 355520088 /nfs/dbraw/zinc/52/00/88/355520088.db2.gz NDZACYUSOMZZIC-IUCAKERBSA-N 1 1 295.299 -0.401 20 5 CBBDMO Nc1cccc([N+](=O)[O-])c1C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000600809269 355566642 /nfs/dbraw/zinc/56/66/42/355566642.db2.gz XXJRRXHFNDSYHZ-VIFPVBQESA-N 1 1 294.311 -0.027 20 5 CBBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000600838564 355569010 /nfs/dbraw/zinc/56/90/10/355569010.db2.gz RLCLXVUBFZJQHE-VIFPVBQESA-N 1 1 296.283 -0.508 20 5 CBBDMO C[C@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000602625584 355665602 /nfs/dbraw/zinc/66/56/02/355665602.db2.gz TXEOQUOFCOXKHH-JTQLQIEISA-N 1 1 283.332 -0.173 20 5 CBBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603086606 355695708 /nfs/dbraw/zinc/69/57/08/355695708.db2.gz LTNZHBNIFDUZSD-CABZTGNLSA-N 1 1 265.269 -0.177 20 5 CBBDMO NC(=O)[C@@H]1CN(c2cccnc2[N+](=O)[O-])CC[NH2+]1 ZINC000603845110 355720121 /nfs/dbraw/zinc/72/01/21/355720121.db2.gz PULSWCXNAOMNJG-ZETCQYMHSA-N 1 1 251.246 -0.747 20 5 CBBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H]1CCNC1=O ZINC000602797361 355672374 /nfs/dbraw/zinc/67/23/74/355672374.db2.gz VODZYXWRNJLIDI-VIFPVBQESA-N 1 1 267.289 -0.080 20 5 CBBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@H]1CCNC1=O ZINC000602797361 355672378 /nfs/dbraw/zinc/67/23/78/355672378.db2.gz VODZYXWRNJLIDI-VIFPVBQESA-N 1 1 267.289 -0.080 20 5 CBBDMO CC[N@H+](CC(=O)N(C)C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610367556 355777693 /nfs/dbraw/zinc/77/76/93/355777693.db2.gz XTZDWGPYJNRLSP-NSHDSACASA-N 1 1 299.331 -0.438 20 5 CBBDMO NC(=O)[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000286312725 283327284 /nfs/dbraw/zinc/32/72/84/283327284.db2.gz ZEYWEPYZFCFZBX-QMMMGPOBSA-N 1 1 268.248 -0.003 20 5 CBBDMO NC(=O)[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000296378119 283327565 /nfs/dbraw/zinc/32/75/65/283327565.db2.gz HNQYLBCZDTUAKB-QMMMGPOBSA-N 1 1 268.248 -0.003 20 5 CBBDMO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCNC1=O ZINC000341750092 216090736 /nfs/dbraw/zinc/09/07/36/216090736.db2.gz KFCDDFVCNOHZGR-SNVBAGLBSA-N 1 1 280.284 -0.423 20 5 CBBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCNC1=O ZINC000341750092 216090740 /nfs/dbraw/zinc/09/07/40/216090740.db2.gz KFCDDFVCNOHZGR-SNVBAGLBSA-N 1 1 280.284 -0.423 20 5 CBBDMO CC[N@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000341797412 216108003 /nfs/dbraw/zinc/10/80/03/216108003.db2.gz KVNYFOULJOQQAZ-SECBINFHSA-N 1 1 282.304 -0.261 20 5 CBBDMO C[C@@]1(O)CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000178013463 189085519 /nfs/dbraw/zinc/08/55/19/189085519.db2.gz JSRDGCSYONGVEG-WDEREUQCSA-N 1 1 270.289 -0.391 20 5 CBBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330689813 203121991 /nfs/dbraw/zinc/12/19/91/203121991.db2.gz FHIOJCJFQVOWJK-SNVBAGLBSA-N 1 1 281.316 -0.102 20 5 CBBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000330693412 203123661 /nfs/dbraw/zinc/12/36/61/203123661.db2.gz HWENGLJRSZTPNZ-JTQLQIEISA-N 1 1 296.331 -0.847 20 5 CBBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000276589095 193391853 /nfs/dbraw/zinc/39/18/53/193391853.db2.gz KGUNEVQMAZJSPD-IUCAKERBSA-N 1 1 297.315 -0.155 20 5 CBBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000276589095 193391854 /nfs/dbraw/zinc/39/18/54/193391854.db2.gz KGUNEVQMAZJSPD-IUCAKERBSA-N 1 1 297.315 -0.155 20 5 CBBDMO CC[N@H+]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000331496046 203902800 /nfs/dbraw/zinc/90/28/00/203902800.db2.gz RQAHZMXCWTYYGS-UHFFFAOYSA-N 1 1 282.304 -0.260 20 5 CBBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000331623625 204020458 /nfs/dbraw/zinc/02/04/58/204020458.db2.gz HCOBVCJEAAOKIO-NXEZZACHSA-N 1 1 294.315 -0.071 20 5 CBBDMO C[N@H+]1CC[C@](O)(CNc2ccncc2[N+](=O)[O-])C1 ZINC000361014763 373254769 /nfs/dbraw/zinc/25/47/69/373254769.db2.gz OMFCDWUNHTXVNL-NSHDSACASA-N 1 1 252.274 -0.110 20 5 CBBDMO C[C@@]1(C(N)=O)CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000361558845 373310213 /nfs/dbraw/zinc/31/02/13/373310213.db2.gz YUBKVHZLBZBGBT-LLVKDONJSA-N 1 1 267.289 -0.011 20 5 CBBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000363269610 373484821 /nfs/dbraw/zinc/48/48/21/373484821.db2.gz JCZRKHNBUPKMLK-DBIOUOCHSA-N 1 1 269.301 -0.369 20 5 CBBDMO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1CC1[N+](=O)[O-] ZINC000363269610 373484825 /nfs/dbraw/zinc/48/48/25/373484825.db2.gz JCZRKHNBUPKMLK-DBIOUOCHSA-N 1 1 269.301 -0.369 20 5 CBBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1CC1[N+](=O)[O-] ZINC000363269610 373484827 /nfs/dbraw/zinc/48/48/27/373484827.db2.gz JCZRKHNBUPKMLK-DBIOUOCHSA-N 1 1 269.301 -0.369 20 5 CBBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000363269609 373484884 /nfs/dbraw/zinc/48/48/84/373484884.db2.gz JCZRKHNBUPKMLK-CHWFTXMASA-N 1 1 269.301 -0.369 20 5 CBBDMO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1CC1[N+](=O)[O-] ZINC000363269609 373484887 /nfs/dbraw/zinc/48/48/87/373484887.db2.gz JCZRKHNBUPKMLK-CHWFTXMASA-N 1 1 269.301 -0.369 20 5 CBBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1CC1[N+](=O)[O-] ZINC000363269609 373484891 /nfs/dbraw/zinc/48/48/91/373484891.db2.gz JCZRKHNBUPKMLK-CHWFTXMASA-N 1 1 269.301 -0.369 20 5 CBBDMO COC(=O)[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[N@@H+](C)C1 ZINC000413505580 373621663 /nfs/dbraw/zinc/62/16/63/373621663.db2.gz VBGIFJXAPMVXQJ-VIFPVBQESA-N 1 1 297.315 -0.131 20 5 CBBDMO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532138839 374159044 /nfs/dbraw/zinc/15/90/44/374159044.db2.gz ABKRZFMAMVVWPP-NSHDSACASA-N 1 1 293.327 -0.035 20 5 CBBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532138839 374159050 /nfs/dbraw/zinc/15/90/50/374159050.db2.gz ABKRZFMAMVVWPP-NSHDSACASA-N 1 1 293.327 -0.035 20 5 CBBDMO [NH3+]CC(F)(F)CC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000584656370 374376631 /nfs/dbraw/zinc/37/66/31/374376631.db2.gz WAEXQDANMHOWOX-UHFFFAOYSA-N 1 1 277.231 -0.108 20 5 CBBDMO COCC[N@@H+](C)CCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000263798148 190079111 /nfs/dbraw/zinc/07/91/11/190079111.db2.gz SEPIFQJJBBOEOD-UHFFFAOYSA-N 1 1 285.304 -0.514 20 5 CBBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2C[C@@H](O)[C@H](O)C2)c1 ZINC000278799869 194161367 /nfs/dbraw/zinc/16/13/67/194161367.db2.gz OOPSMFZSQKKHHL-IJLUTSLNSA-N 1 1 268.269 -0.334 20 5 CBBDMO O=C(CC[N@H+]1C[C@@H](O)[C@@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000278859163 194186775 /nfs/dbraw/zinc/18/67/75/194186775.db2.gz RXHMSUIAWSLIFG-TXEJJXNPSA-N 1 1 295.295 -0.039 20 5 CBBDMO COC(=O)[C@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266515210 190262971 /nfs/dbraw/zinc/26/29/71/190262971.db2.gz YRTIZBCRZFMQFT-ONGXEEELSA-N 1 1 298.299 -0.353 20 5 CBBDMO CC[N@@H+](CC(=O)OC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266552324 190266389 /nfs/dbraw/zinc/26/63/89/190266389.db2.gz UMCMCXIFANUBFM-JTQLQIEISA-N 1 1 286.288 -0.353 20 5 CBBDMO CC[N@H+](CC(=O)OC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266552324 190266390 /nfs/dbraw/zinc/26/63/90/190266390.db2.gz UMCMCXIFANUBFM-JTQLQIEISA-N 1 1 286.288 -0.353 20 5 CBBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCOC1 ZINC000266564197 190267124 /nfs/dbraw/zinc/26/71/24/190267124.db2.gz YXLBUENQGHFVFL-KOLCDFICSA-N 1 1 270.289 -0.127 20 5 CBBDMO NC(=O)C[C@H]([NH3+])C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000353706488 220271057 /nfs/dbraw/zinc/27/10/57/220271057.db2.gz FFVLSMQVVKWTDP-VIFPVBQESA-N 1 1 280.284 -0.544 20 5 CBBDMO C[C@H]1C[C@@H](O)CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000429117927 208108899 /nfs/dbraw/zinc/10/88/99/208108899.db2.gz RFWFOFWRSKSFFB-ZMLRMANQSA-N 1 1 284.316 -0.003 20 5 CBBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCc3nn[nH]c3C2)n1 ZINC000429309795 208119631 /nfs/dbraw/zinc/11/96/31/208119631.db2.gz VFCUDGKBQFSIIY-UHFFFAOYSA-N 1 1 263.261 -0.032 20 5 CBBDMO CN(C(=O)Cn1nnnc1C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000575121044 335069012 /nfs/dbraw/zinc/06/90/12/335069012.db2.gz ZSYYWDIGMACAQR-UHFFFAOYSA-N 1 1 291.271 -0.297 20 5 CBBDMO CC[C@H](O)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285390748 196270503 /nfs/dbraw/zinc/27/05/03/196270503.db2.gz NXUDOUTVTSRIBF-VIFPVBQESA-N 1 1 297.315 -0.153 20 5 CBBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@]1(CO)CCOC1 ZINC000359608343 419977035 /nfs/dbraw/zinc/97/70/35/419977035.db2.gz ZAQFOFDBNDQLKL-CYBMUJFWSA-N 1 1 297.311 -0.160 20 5 CBBDMO O=C(NC[C@@H]1CN(C2CC2)CCO1)[C@H]1CC1[N+](=O)[O-] ZINC000364540757 420041636 /nfs/dbraw/zinc/04/16/36/420041636.db2.gz DDYWNYUFUSAWDY-VWYCJHECSA-N 1 1 269.301 -0.369 20 5 CBBDMO CC(C)(O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC1 ZINC000364613021 420044712 /nfs/dbraw/zinc/04/47/12/420044712.db2.gz NQXYPJHTXXVQSM-MNOVXSKESA-N 1 1 285.344 -0.043 20 5 CBBDMO CC(C)(O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000364613021 420044715 /nfs/dbraw/zinc/04/47/15/420044715.db2.gz NQXYPJHTXXVQSM-MNOVXSKESA-N 1 1 285.344 -0.043 20 5 CBBDMO CC(C)(O)C[N@H+]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000364613021 420044721 /nfs/dbraw/zinc/04/47/21/420044721.db2.gz NQXYPJHTXXVQSM-MNOVXSKESA-N 1 1 285.344 -0.043 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@](O)(C3CC3)C2)c1 ZINC000365851939 420071339 /nfs/dbraw/zinc/07/13/39/420071339.db2.gz XQDDKFZPPAVKDZ-OLZOCXBDSA-N 1 1 296.327 -0.001 20 5 CBBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000419007284 420243313 /nfs/dbraw/zinc/24/33/13/420243313.db2.gz RICBERHOTZAWQF-DTWKUNHWSA-N 1 1 296.331 -0.142 20 5 CBBDMO Nc1nc(NC[C@H]2CCCC[N@H+]2CCO)ncc1[N+](=O)[O-] ZINC000450615654 420299293 /nfs/dbraw/zinc/29/92/93/420299293.db2.gz OOLHUMMAAGGWRS-SECBINFHSA-N 1 1 296.331 -0.352 20 5 CBBDMO CN(C)CC[N@@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000290564136 230212422 /nfs/dbraw/zinc/21/24/22/230212422.db2.gz GBYZDQXLFLZABR-UHFFFAOYSA-N 1 1 298.347 -0.069 20 5 CBBDMO CN(CCCNC(=O)c1cc([N+](=O)[O-])n[nH]1)CC[NH+](C)C ZINC000290564136 230212429 /nfs/dbraw/zinc/21/24/29/230212429.db2.gz GBYZDQXLFLZABR-UHFFFAOYSA-N 1 1 298.347 -0.069 20 5 CBBDMO Cn1c[nH+]cc1CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000573770230 420459047 /nfs/dbraw/zinc/45/90/47/420459047.db2.gz YLWXTHKTDCMBLH-UHFFFAOYSA-N 1 1 290.283 0.477 20 5 CBBDMO O=[N+]([O-])c1cnc2ccc(NCC[N@@H+]3CC[C@H](O)C3)nn21 ZINC000599199833 420491847 /nfs/dbraw/zinc/49/18/47/420491847.db2.gz RYVIVPANFJAEIV-VIFPVBQESA-N 1 1 292.299 0.116 20 5 CBBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH2+][C@@H](C(N)=O)C1 ZINC000280087344 276722162 /nfs/dbraw/zinc/72/21/62/276722162.db2.gz SDOMQPCINADJET-MRVPVSSYSA-N 1 1 282.304 -0.617 20 5 CBBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 ZINC000285642837 277152983 /nfs/dbraw/zinc/15/29/83/277152983.db2.gz FLVBLHBFVKPUGN-UWVGGRQHSA-N 1 1 295.299 -0.137 20 5 CBBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)[C@@H]2C1 ZINC000285751232 277179855 /nfs/dbraw/zinc/17/98/55/277179855.db2.gz LMHDYKWURQAWEF-NXEZZACHSA-N 1 1 295.299 -0.137 20 5 CBBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000358061448 277183681 /nfs/dbraw/zinc/18/36/81/277183681.db2.gz GIWFHEIXJADGGN-ZDUSSCGKSA-N 1 1 294.311 -0.027 20 5 CBBDMO O=C1C[C@@H]([NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C(=O)N1 ZINC000584239481 327104757 /nfs/dbraw/zinc/10/47/57/327104757.db2.gz BSNJSKKVDHFTNZ-SECBINFHSA-N 1 1 293.283 -0.157 20 5 CBBDMO C[NH+]1CCN(C(=O)CNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000760518633 582313219 /nfs/dbraw/zinc/31/32/19/582313219.db2.gz ADMYOOXJOLVCFX-UHFFFAOYSA-N 1 1 280.288 -0.429 20 5 CBBDMO O=C1C[C@@]2(CC[N@@H+](Cn3nccc3[N+](=O)[O-])C2)CN1 ZINC000788383562 582385795 /nfs/dbraw/zinc/38/57/95/582385795.db2.gz RFIRZPVTMIGQFH-NSHDSACASA-N 1 1 265.273 -0.039 20 5 CBBDMO O=C1C[C@@]2(CC[N@H+](Cn3nccc3[N+](=O)[O-])C2)CN1 ZINC000788383562 582385796 /nfs/dbraw/zinc/38/57/96/582385796.db2.gz RFIRZPVTMIGQFH-NSHDSACASA-N 1 1 265.273 -0.039 20 5 CBBDMO C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000834570025 583131880 /nfs/dbraw/zinc/13/18/80/583131880.db2.gz XILNVJZJEVEDAV-CKYFFXLPSA-N 1 1 271.317 -0.433 20 5 CBBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839605127 583156696 /nfs/dbraw/zinc/15/66/96/583156696.db2.gz JCZRKHNBUPKMLK-UKKRHICBSA-N 1 1 269.301 -0.369 20 5 CBBDMO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)[C@@H]1CC1[N+](=O)[O-] ZINC000839605127 583156699 /nfs/dbraw/zinc/15/66/99/583156699.db2.gz JCZRKHNBUPKMLK-UKKRHICBSA-N 1 1 269.301 -0.369 20 5 CBBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)[C@@H]1CC1[N+](=O)[O-] ZINC000839605127 583156701 /nfs/dbraw/zinc/15/67/01/583156701.db2.gz JCZRKHNBUPKMLK-UKKRHICBSA-N 1 1 269.301 -0.369 20 5 CBBDMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839781109 583159630 /nfs/dbraw/zinc/15/96/30/583159630.db2.gz IVVLHFCYZMRNAI-GMTAPVOTSA-N 1 1 271.317 -0.385 20 5 CBBDMO O=C(NC[C@H]1CCC[N@H+]1CCCO)[C@@H]1CC1[N+](=O)[O-] ZINC000839781109 583159633 /nfs/dbraw/zinc/15/96/33/583159633.db2.gz IVVLHFCYZMRNAI-GMTAPVOTSA-N 1 1 271.317 -0.385 20 5 CBBDMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)[C@@H]1CC1[N+](=O)[O-] ZINC000839781109 583159635 /nfs/dbraw/zinc/15/96/35/583159635.db2.gz IVVLHFCYZMRNAI-GMTAPVOTSA-N 1 1 271.317 -0.385 20 5 CBBDMO NC(=O)[C@]1([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000847052794 583397477 /nfs/dbraw/zinc/39/74/77/583397477.db2.gz GHNBIEDINLSPDI-YPMHNXCESA-N 1 1 295.295 -0.138 20 5 CBBDMO O=C1OC[C@H]2C[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]12 ZINC000860159339 583739881 /nfs/dbraw/zinc/73/98/81/583739881.db2.gz DVCNJXCNFWGRHL-DVVUODLYSA-N 1 1 296.283 -0.743 20 5 CBBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC=C[C@H]1CO ZINC000880489675 584276134 /nfs/dbraw/zinc/27/61/34/584276134.db2.gz WNYHBCVIYOVRRH-NSHDSACASA-N 1 1 265.269 -0.011 20 5 CBBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC=C[C@H]1CO ZINC000880489675 584276135 /nfs/dbraw/zinc/27/61/35/584276135.db2.gz WNYHBCVIYOVRRH-NSHDSACASA-N 1 1 265.269 -0.011 20 5 CBBDMO CC[NH+]1CCN(C(=O)CNc2c([N+](=O)[O-])cnn2C)CC1 ZINC000892314025 584614718 /nfs/dbraw/zinc/61/47/18/584614718.db2.gz JBEISGWNTXJBLP-UHFFFAOYSA-N 1 1 296.331 -0.096 20 5 CBBDMO Cn1ncc([N+](=O)[O-])c1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000893156330 584635694 /nfs/dbraw/zinc/63/56/94/584635694.db2.gz CSEMDFIEKSHQGQ-VIFPVBQESA-N 1 1 267.289 -0.151 20 5 CBBDMO Cn1ncc([N+](=O)[O-])c1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000893156330 584635696 /nfs/dbraw/zinc/63/56/96/584635696.db2.gz CSEMDFIEKSHQGQ-VIFPVBQESA-N 1 1 267.289 -0.151 20 5 CBBDMO Cn1ncc([N+](=O)[O-])c1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000893156329 584635710 /nfs/dbraw/zinc/63/57/10/584635710.db2.gz CSEMDFIEKSHQGQ-SECBINFHSA-N 1 1 267.289 -0.151 20 5 CBBDMO Cn1ncc([N+](=O)[O-])c1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000893156329 584635713 /nfs/dbraw/zinc/63/57/13/584635713.db2.gz CSEMDFIEKSHQGQ-SECBINFHSA-N 1 1 267.289 -0.151 20 5 CBBDMO C[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000896536098 584701508 /nfs/dbraw/zinc/70/15/08/584701508.db2.gz VGPCPSHTCSGTNA-DBIOUOCHSA-N 1 1 270.333 -0.598 20 5 CBBDMO C[C@@H]1[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[N@H+]1C ZINC000928447578 659023857 /nfs/dbraw/zinc/02/38/57/659023857.db2.gz KZNJUUDLIITELC-MWLCHTKSSA-N 1 1 294.311 -0.035 20 5 CBBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H]1COC[C@H]1O ZINC000708609356 656194291 /nfs/dbraw/zinc/19/42/91/656194291.db2.gz NULDDRSRNBHIQR-NXEZZACHSA-N 1 1 270.289 -0.209 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000923331666 658218059 /nfs/dbraw/zinc/21/80/59/658218059.db2.gz MQHMXNHAXGKDQY-OLZOCXBDSA-N 1 1 295.343 -0.162 20 5 CBBDMO COC(=O)[C@]12C[N@@H+](CC[N+](=O)[O-])C[C@H]1COCC2 ZINC000930288662 659247504 /nfs/dbraw/zinc/24/75/04/659247504.db2.gz NJDKSYCRGXUJAP-GXSJLCMTSA-N 1 1 258.274 -0.225 20 5 CBBDMO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cn2)C[C@H]1CO ZINC000687591398 790656527 /nfs/dbraw/zinc/65/65/27/790656527.db2.gz XBVCCMFTLWRPFB-VIFPVBQESA-N 1 1 253.262 -0.503 20 5 CBBDMO C[N@H+]1CCN(c2ncc([N+](=O)[O-])cn2)C[C@H]1CO ZINC000687591398 790656534 /nfs/dbraw/zinc/65/65/34/790656534.db2.gz XBVCCMFTLWRPFB-VIFPVBQESA-N 1 1 253.262 -0.503 20 5 CBBDMO O=C(N[C@H]1C[C@@H]([NH2+]CCn2cccn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063749 790987727 /nfs/dbraw/zinc/98/77/27/790987727.db2.gz LEIWLARXVYUXCC-WRWGMCAJSA-N 1 1 293.327 -0.215 20 5 CBBDMO O=C(N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063840 790987798 /nfs/dbraw/zinc/98/77/98/790987798.db2.gz MKYULPGVVYHAAN-LMLFDSFASA-N 1 1 294.315 -0.820 20 5 CBBDMO C[NH+]1CCN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC001123996367 813386437 /nfs/dbraw/zinc/38/64/37/813386437.db2.gz XOTJVGVVEYZCBF-UHFFFAOYSA-N 1 1 295.299 -0.573 20 5 CBBDMO COCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001072726039 805331736 /nfs/dbraw/zinc/33/17/36/805331736.db2.gz YXABDRMLGRXJHY-GHMZBOCLSA-N 1 1 283.328 -0.168 20 5 CBBDMO COCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001072726039 805331745 /nfs/dbraw/zinc/33/17/45/805331745.db2.gz YXABDRMLGRXJHY-GHMZBOCLSA-N 1 1 283.328 -0.168 20 5 CBBDMO COCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001072726039 805331753 /nfs/dbraw/zinc/33/17/53/805331753.db2.gz YXABDRMLGRXJHY-GHMZBOCLSA-N 1 1 283.328 -0.168 20 5 CBBDMO N=c1cc(C[NH3+])ncn1-c1cc(N)c([N+](=O)[O-])cn1 ZINC001156625045 815369991 /nfs/dbraw/zinc/36/99/91/815369991.db2.gz WDENUDVBCCUFSY-UHFFFAOYSA-N 1 1 261.245 -0.304 20 5 CBBDMO CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001098366075 810841779 /nfs/dbraw/zinc/84/17/79/810841779.db2.gz VSMOWVMWLXZQPQ-VXGBXAGGSA-N 1 1 285.344 -0.043 20 5 CBBDMO CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001098366075 810841787 /nfs/dbraw/zinc/84/17/87/810841787.db2.gz VSMOWVMWLXZQPQ-VXGBXAGGSA-N 1 1 285.344 -0.043 20 5 CBBDMO CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001098366075 810841792 /nfs/dbraw/zinc/84/17/92/810841792.db2.gz VSMOWVMWLXZQPQ-VXGBXAGGSA-N 1 1 285.344 -0.043 20 5 CBBDMO O=C(NCCC[NH2+]Cc1cnns1)[C@@H]1CC1[N+](=O)[O-] ZINC001157767832 815463789 /nfs/dbraw/zinc/46/37/89/815463789.db2.gz WRHLNNLOPMNVKP-RKDXNWHRSA-N 1 1 285.329 -0.201 20 5 CBBDMO O=C(NCCC[NH2+]CCN1CCCC1=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157775825 815466117 /nfs/dbraw/zinc/46/61/17/815466117.db2.gz YXJARRUBDZRCDO-GHMZBOCLSA-N 1 1 298.343 -0.630 20 5 CBBDMO CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157767798 815463056 /nfs/dbraw/zinc/46/30/56/815463056.db2.gz VCDCHOIVMIFDTD-NXEZZACHSA-N 1 1 286.332 -0.728 20 5 CBBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001117737933 812441182 /nfs/dbraw/zinc/44/11/82/812441182.db2.gz XUVQGWJHZHOZTB-RKDXNWHRSA-N 1 1 295.299 -0.401 20 5 CBBDMO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ncnn1C ZINC001118090537 812469624 /nfs/dbraw/zinc/46/96/24/812469624.db2.gz LQRIYBBHAQYWCF-WCBMZHEXSA-N 1 1 295.303 -0.369 20 5 CBBDMO O=[N+]([O-])c1cnc(N2CCN3CC[C@@H]3C2)nc1C1C[NH2+]C1 ZINC001158435530 815529640 /nfs/dbraw/zinc/52/96/40/815529640.db2.gz DVFWLPHDPBWELI-SNVBAGLBSA-N 1 1 290.327 -0.034 20 5 CBBDMO C[NH+](C)/C=C/c1cc(N[C@@H](CO)C(N)=O)ncc1[N+](=O)[O-] ZINC001158444674 815533221 /nfs/dbraw/zinc/53/32/21/815533221.db2.gz VBAJZRQHEFFRRE-NWALNABHSA-N 1 1 295.299 -0.220 20 5 CBBDMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1[nH]ncc1[N+](=O)[O-] ZINC001159091736 815558748 /nfs/dbraw/zinc/55/87/48/815558748.db2.gz QUYMFQWQKQFHQY-SECBINFHSA-N 1 1 297.315 -0.106 20 5 CBBDMO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1n[nH]cc1[N+](=O)[O-] ZINC001159091736 815558750 /nfs/dbraw/zinc/55/87/50/815558750.db2.gz QUYMFQWQKQFHQY-SECBINFHSA-N 1 1 297.315 -0.106 20 5 CBBDMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1n[nH]cc1[N+](=O)[O-] ZINC001159091736 815558751 /nfs/dbraw/zinc/55/87/51/815558751.db2.gz QUYMFQWQKQFHQY-SECBINFHSA-N 1 1 297.315 -0.106 20 5 CBBDMO COC(=O)[C@H]1C[N@H+](CC[N+](=O)[O-])C[C@H]1C(=O)OC ZINC001120366960 812954626 /nfs/dbraw/zinc/95/46/26/812954626.db2.gz ZEUZDUSBJCZVOV-OCAPTIKFSA-N 1 1 260.246 -0.843 20 5 CBBDMO COC(=O)[C@H]1C[N@@H+](CC[N+](=O)[O-])C[C@H]1C(=O)OC ZINC001120366960 812954632 /nfs/dbraw/zinc/95/46/32/812954632.db2.gz ZEUZDUSBJCZVOV-OCAPTIKFSA-N 1 1 260.246 -0.843 20 5 CBBDMO COc1nc(N[C@H](N)CCC[NH3+])ncc1[N+](=O)[O-] ZINC001159779440 815595014 /nfs/dbraw/zinc/59/50/14/815595014.db2.gz GVJXVMPEPKAQRH-ZETCQYMHSA-N 1 1 256.266 -0.171 20 5 CBBDMO C[NH+]1CC(N2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)C1 ZINC001124021835 813390477 /nfs/dbraw/zinc/39/04/77/813390477.db2.gz XAMJQAHRAMMONP-UHFFFAOYSA-N 1 1 293.327 -0.005 20 5 CBBDMO Cc1noc(CCC[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001126936827 813696928 /nfs/dbraw/zinc/69/69/28/813696928.db2.gz SSZGIMYPOUJNDH-NXEZZACHSA-N 1 1 297.315 -0.318 20 5 CBBDMO CCOCCC[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126938914 813697127 /nfs/dbraw/zinc/69/71/27/813697127.db2.gz MVDBLRUPVPSAGX-NXEZZACHSA-N 1 1 259.306 -0.216 20 5 CBBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001138061745 814597989 /nfs/dbraw/zinc/59/79/89/814597989.db2.gz TYVGEXYCKLUVDO-CYBMUJFWSA-N 1 1 294.311 -0.027 20 5 CBBDMO O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001147832045 814917587 /nfs/dbraw/zinc/91/75/87/814917587.db2.gz XXQMJQUXXFAXFU-GHMZBOCLSA-N 1 1 271.317 -0.385 20 5 CBBDMO [NH3+][C@@H]1NCN(c2ncc([N+](=O)[O-])cc2Cl)[C@H]2NCN[C@@H]21 ZINC001162435133 815815722 /nfs/dbraw/zinc/81/57/22/815815722.db2.gz BBDIUJFEBXGYTQ-NQMVMOMDSA-N 1 1 299.722 -0.860 20 5 CBBDMO [NH3+][C@@H]1NCN(c2cc(Cl)ncc2[N+](=O)[O-])[C@H]2NCN[C@@H]21 ZINC001162436244 815817303 /nfs/dbraw/zinc/81/73/03/815817303.db2.gz JBXGJXYZVNCXNZ-OPRDCNLKSA-N 1 1 299.722 -0.860 20 5 CBBDMO [NH3+][C@@H]1NCN(c2ncc(Cl)cc2[N+](=O)[O-])[C@@H]2NCN[C@H]21 ZINC001162436808 815820406 /nfs/dbraw/zinc/82/04/06/815820406.db2.gz PULQHMJIOSIWIZ-XKSSXDPKSA-N 1 1 299.722 -0.860 20 5 CBBDMO [NH3+][C@@H]1NCN(c2nccc(Cl)c2[N+](=O)[O-])[C@H]2NCN[C@@H]21 ZINC001162437847 815820720 /nfs/dbraw/zinc/82/07/20/815820720.db2.gz WJMDGCZWWGGCNC-FTLITQJKSA-N 1 1 299.722 -0.860 20 5 CBBDMO [NH3+][C@@H]1NCN(c2nccc(Cl)c2[N+](=O)[O-])[C@@H]2NCN[C@H]21 ZINC001162437850 815820754 /nfs/dbraw/zinc/82/07/54/815820754.db2.gz WJMDGCZWWGGCNC-ZQARSLAVSA-N 1 1 299.722 -0.860 20 5 CBBDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC001302247014 816754656 /nfs/dbraw/zinc/75/46/56/816754656.db2.gz JXJUIGOLTNWZBG-QMMMGPOBSA-N 1 1 297.315 -0.107 20 5 CBBDMO C[N@@H+](CCNc1ccncc1[N+](=O)[O-])CCOCCO ZINC001307194392 816798311 /nfs/dbraw/zinc/79/83/11/816798311.db2.gz GQSWUVGHGQDVFG-UHFFFAOYSA-N 1 1 284.316 -0.236 20 5 CBBDMO CC(=O)N[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001307857863 816815246 /nfs/dbraw/zinc/81/52/46/816815246.db2.gz ZZTHNRAUZKEMRV-PWSUYJOCSA-N 1 1 297.315 -0.637 20 5 CBBDMO COCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317211789 816940342 /nfs/dbraw/zinc/94/03/42/816940342.db2.gz YAYGHGWIVDGYLM-ZIQFBCGOSA-N 1 1 283.328 -0.266 20 5 CBBDMO COCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001317211789 816940348 /nfs/dbraw/zinc/94/03/48/816940348.db2.gz YAYGHGWIVDGYLM-ZIQFBCGOSA-N 1 1 283.328 -0.266 20 5 CBBDMO COCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001317211789 816940353 /nfs/dbraw/zinc/94/03/53/816940353.db2.gz YAYGHGWIVDGYLM-ZIQFBCGOSA-N 1 1 283.328 -0.266 20 5 CBBDMO CN(CC[NH2+]Cc1cnn(C)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001317584520 817022683 /nfs/dbraw/zinc/02/26/83/817022683.db2.gz DUAOXDRTZNPYIP-GHMZBOCLSA-N 1 1 281.316 -0.367 20 5 CBBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC001320227637 817299028 /nfs/dbraw/zinc/29/90/28/817299028.db2.gz DTHQAEULVMMKBQ-LLVKDONJSA-N 1 1 283.288 -0.875 20 5 CBBDMO Cn1cc([N+](=O)[O-])c(C(=O)NCC[NH+]2CCC2)n1 ZINC001320577794 817357188 /nfs/dbraw/zinc/35/71/88/817357188.db2.gz QLPFCSALNJGLII-UHFFFAOYSA-N 1 1 253.262 -0.236 20 5 CBBDMO Cc1nn(C)c(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001321134967 817447601 /nfs/dbraw/zinc/44/76/01/817447601.db2.gz CBFPSCRNUWPDSQ-LBPRGKRZSA-N 1 1 297.315 -0.567 20 5 CBBDMO NC(=O)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC001166723491 820021290 /nfs/dbraw/zinc/02/12/90/820021290.db2.gz FOIQGHMFNWTWAS-QMMMGPOBSA-N 1 1 269.236 -0.608 20 5 CBBDMO NC(=O)[C@@H]1CN(c2cc([N+](=O)[O-])cc(Cl)n2)CC[NH2+]1 ZINC001166724369 820026378 /nfs/dbraw/zinc/02/63/78/820026378.db2.gz TYBXHUQGHFRFNH-ZETCQYMHSA-N 1 1 285.691 -0.093 20 5 CBBDMO COC(=O)C1([NH3+])CCN(c2cc([N+](=O)[O-])cc[n+]2[O-])CC1 ZINC001166795072 820036639 /nfs/dbraw/zinc/03/66/39/820036639.db2.gz OWWQPVVWDONNGZ-UHFFFAOYSA-N 1 1 296.283 -0.301 20 5 CBBDMO N=c1cc(C[NH3+])ncn1-c1nccc(N)c1[N+](=O)[O-] ZINC001167358665 820085911 /nfs/dbraw/zinc/08/59/11/820085911.db2.gz ZLCWFSILGFBKTA-UHFFFAOYSA-N 1 1 261.245 -0.304 20 5 CBBDMO N=c1cc(C[NH3+])ncn1-c1c[n+]([O-])ccc1[N+](=O)[O-] ZINC001167358402 820086149 /nfs/dbraw/zinc/08/61/49/820086149.db2.gz QIFKBSNQZQTYEY-UHFFFAOYSA-N 1 1 262.229 -0.648 20 5 CBBDMO NC(=O)c1nc(-n2cnc(C[NH3+])n2)ccc1[N+](=O)[O-] ZINC001168749244 820171841 /nfs/dbraw/zinc/17/18/41/820171841.db2.gz GPWGZKGQLZZYNE-UHFFFAOYSA-N 1 1 263.217 -0.872 20 5 CBBDMO CC[C@@]([NH3+])(CO)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC001170858137 820329112 /nfs/dbraw/zinc/32/91/12/820329112.db2.gz JRIOBTBZLXKTMK-JTQLQIEISA-N 1 1 269.261 -0.442 20 5 CBBDMO NC(=O)c1nc(N[C@@H](N)CCC[NH3+])ccc1[N+](=O)[O-] ZINC001170899202 820335045 /nfs/dbraw/zinc/33/50/45/820335045.db2.gz SLVZDACYMAYLNN-SSDOTTSWSA-N 1 1 268.277 -0.476 20 5 CBBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC([NH2+]C2COC2)C1 ZINC001179457529 820630087 /nfs/dbraw/zinc/63/00/87/820630087.db2.gz GXUGJBNIMBHSOX-UHFFFAOYSA-N 1 1 293.283 -0.615 20 5 CBBDMO Cn1cc(C[NH2+][C@H]2C(=O)NCC2(C)C)c([N+](=O)[O-])n1 ZINC001197432461 824190732 /nfs/dbraw/zinc/19/07/32/824190732.db2.gz WPSIYSQEYBBXTF-QMMMGPOBSA-N 1 1 267.289 -0.058 20 5 CBBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCC[NH+]1CCC1 ZINC001253507120 825915822 /nfs/dbraw/zinc/91/58/22/825915822.db2.gz DZNYECFNNQIPNE-UHFFFAOYSA-N 1 1 280.284 -0.422 20 5 CBBDMO Cc1[nH]nc(C(=O)N2CCC(O)(C[NH3+])CC2)c1[N+](=O)[O-] ZINC001261476118 826520263 /nfs/dbraw/zinc/52/02/63/826520263.db2.gz LKMBOSRVOFHWCA-UHFFFAOYSA-N 1 1 283.288 -0.448 20 5 CBBDMO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001261818840 826587305 /nfs/dbraw/zinc/58/73/05/826587305.db2.gz JDFYHPIHNGKGGK-RKDXNWHRSA-N 1 1 295.299 -0.401 20 5 CBBDMO CCN(CC[NH2+]CC(=O)NC1CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001273376093 827896243 /nfs/dbraw/zinc/89/62/43/827896243.db2.gz UQNMLRSTFYDRMZ-GHMZBOCLSA-N 1 1 298.343 -0.632 20 5 CBBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)n1 ZINC001447363203 913062510 /nfs/dbraw/zinc/06/25/10/913062510.db2.gz RLDPXVSKNJEPPK-LBPRGKRZSA-N 1 1 297.315 -0.392 20 5 CBBDMO C[C@@H]1[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC001332477412 887305861 /nfs/dbraw/zinc/30/58/61/887305861.db2.gz KDFPVPVWZOHNPX-NXEZZACHSA-N 1 1 294.311 -0.035 20 5 CBBDMO Cc1nc(N2CC[N@@H+](C)C[C@@H]2CO)ncc1[N+](=O)[O-] ZINC001348850222 890712911 /nfs/dbraw/zinc/71/29/11/890712911.db2.gz JAWFCCITDTZTQO-SECBINFHSA-N 1 1 267.289 -0.194 20 5 CBBDMO Cc1nc(N2CC[N@H+](C)C[C@@H]2CO)ncc1[N+](=O)[O-] ZINC001348850222 890712916 /nfs/dbraw/zinc/71/29/16/890712916.db2.gz JAWFCCITDTZTQO-SECBINFHSA-N 1 1 267.289 -0.194 20 5 CBBDMO CC[N@@H+]1CC[C@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001350851764 891060235 /nfs/dbraw/zinc/06/02/35/891060235.db2.gz QTSAZZVLAUTKLG-JTQLQIEISA-N 1 1 294.311 -0.033 20 5 CBBDMO CC[N@H+]1CC[C@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001350851764 891060249 /nfs/dbraw/zinc/06/02/49/891060249.db2.gz QTSAZZVLAUTKLG-JTQLQIEISA-N 1 1 294.311 -0.033 20 5 CBBDMO C[NH2+]C[C@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001350908267 891064460 /nfs/dbraw/zinc/06/44/60/891064460.db2.gz CAIRCBPLKBETHL-ZYHUDNBSSA-N 1 1 283.332 -0.307 20 5 CBBDMO Cn1ncc([N+](=O)[O-])c1NC[C@]1(CO)COCC[NH2+]1 ZINC001458572962 914661278 /nfs/dbraw/zinc/66/12/78/914661278.db2.gz OULUAISABNZDFV-JTQLQIEISA-N 1 1 271.277 -0.909 20 5 CBBDMO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@H](O)[C@@H](CO)C2)c1 ZINC001460220884 914771923 /nfs/dbraw/zinc/77/19/23/914771923.db2.gz MMWZMIXUJVITPL-SCZZXKLOSA-N 1 1 256.262 -0.924 20 5 CBBDMO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@H](O)[C@H](CO)C2)c1 ZINC001460220889 914772655 /nfs/dbraw/zinc/77/26/55/914772655.db2.gz MMWZMIXUJVITPL-WPRPVWTQSA-N 1 1 256.262 -0.924 20 5 CBBDMO O=C(NC[C@]1(CO)COCC[NH2+]1)c1ccc([N+](=O)[O-])[nH]1 ZINC001471178299 915560922 /nfs/dbraw/zinc/56/09/22/915560922.db2.gz NVJITDIWHSGMPX-NSHDSACASA-N 1 1 284.272 -0.996 20 5 CBBDMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001471840891 915646512 /nfs/dbraw/zinc/64/65/12/915646512.db2.gz KSJLKKYAMLQOCF-SFYZADRCSA-N 1 1 280.288 -0.355 20 5 CBBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001473538942 915831447 /nfs/dbraw/zinc/83/14/47/915831447.db2.gz ZVCKJVAZXZSONQ-GXSJLCMTSA-N 1 1 283.284 -0.959 20 5 CBBDMO Cn1cc(C[NH+]2[C@H](CO)CC[C@H]2CO)c([N+](=O)[O-])n1 ZINC001473594999 915845638 /nfs/dbraw/zinc/84/56/38/915845638.db2.gz MDZDPGISVJOZGX-UWVGGRQHSA-N 1 1 270.289 -0.354 20 5 CBBDMO CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cnnn1C ZINC001492949971 919454687 /nfs/dbraw/zinc/45/46/87/919454687.db2.gz DPNVTVAGDZXIHB-GHMZBOCLSA-N 1 1 296.331 -0.582 20 5 CBBDMO COCC[NH2+]C/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001497584160 920345262 /nfs/dbraw/zinc/34/52/62/920345262.db2.gz OPCVNNMRKUAQCI-HLKOZVMDSA-N 1 1 257.290 -0.440 20 5 CBBDMO Cc1nn(C)c(C(=O)NCC[N@@H+](C)CCO)c1[N+](=O)[O-] ZINC001559032452 924210423 /nfs/dbraw/zinc/21/04/23/924210423.db2.gz VFELDLKKJOAGSL-UHFFFAOYSA-N 1 1 285.304 -0.709 20 5 CBBDMO C[NH+]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000269168516 190473606 /nfs/dbraw/zinc/47/36/06/190473606.db2.gz WOUYFBGPKJLCMA-UHFFFAOYSA-N 1 1 282.304 -0.252 20 5 CBBDMO NC(=O)c1ccc(C[N@H+](CCO)CCCO)c([N+](=O)[O-])c1 ZINC000111245328 186376054 /nfs/dbraw/zinc/37/60/54/186376054.db2.gz CZRPWIXFYOZJLO-UHFFFAOYSA-N 1 1 297.311 -0.130 20 5 CBBDMO NC(=O)c1ccc(C[N@@H+](CCO)CCCO)c([N+](=O)[O-])c1 ZINC000111245328 186376055 /nfs/dbraw/zinc/37/60/55/186376055.db2.gz CZRPWIXFYOZJLO-UHFFFAOYSA-N 1 1 297.311 -0.130 20 5 CBBDMO CC[N@@H+](C[C@H](C)O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352233369 219377331 /nfs/dbraw/zinc/37/73/31/219377331.db2.gz YDVRWVYYOVPLSP-ONGXEEELSA-N 1 1 272.305 -0.145 20 5 CBBDMO CC(C)C[N@H+](CC(N)=O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075624272 351668959 /nfs/dbraw/zinc/66/89/59/351668959.db2.gz QPKAMBIYBOAGIQ-LLVKDONJSA-N 1 1 299.331 -0.405 20 5 CBBDMO COCC[N@@H+](C)CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000076269997 351676011 /nfs/dbraw/zinc/67/60/11/351676011.db2.gz MNBXFYFHTGGXOG-UHFFFAOYSA-N 1 1 270.293 -0.043 20 5 CBBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](O)C1 ZINC000090526213 351740724 /nfs/dbraw/zinc/74/07/24/351740724.db2.gz MFSIIPOHSDZWMB-SNVBAGLBSA-N 1 1 253.258 -0.177 20 5 CBBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H]1C ZINC000120865610 351844334 /nfs/dbraw/zinc/84/43/34/351844334.db2.gz WACHDGSPHCGNIB-RKDXNWHRSA-N 1 1 297.315 -0.155 20 5 CBBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H]1C ZINC000120865610 351844336 /nfs/dbraw/zinc/84/43/36/351844336.db2.gz WACHDGSPHCGNIB-RKDXNWHRSA-N 1 1 297.315 -0.155 20 5 CBBDMO C[C@]1(O)CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000124082434 187121580 /nfs/dbraw/zinc/12/15/80/187121580.db2.gz ICPORKCTRWXGMI-RYUDHWBXSA-N 1 1 284.316 -0.001 20 5 CBBDMO COCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](C)C(N)=O ZINC000176235052 352063221 /nfs/dbraw/zinc/06/32/21/352063221.db2.gz ZVQNJJAJYDSKMM-SECBINFHSA-N 1 1 285.304 -0.387 20 5 CBBDMO COCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](C)C(N)=O ZINC000176235052 352063225 /nfs/dbraw/zinc/06/32/25/352063225.db2.gz ZVQNJJAJYDSKMM-SECBINFHSA-N 1 1 285.304 -0.387 20 5 CBBDMO C[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)N1CCOCC1 ZINC000176238361 352063665 /nfs/dbraw/zinc/06/36/65/352063665.db2.gz VVLKFZKVAHNZPX-UHFFFAOYSA-N 1 1 297.315 -0.418 20 5 CBBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)N1CCOCC1 ZINC000176238361 352063666 /nfs/dbraw/zinc/06/36/66/352063666.db2.gz VVLKFZKVAHNZPX-UHFFFAOYSA-N 1 1 297.315 -0.418 20 5 CBBDMO CNC(=O)[C@H](C)C[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246234360 352330251 /nfs/dbraw/zinc/33/02/51/352330251.db2.gz QQBJQCRHYZULCL-MWLCHTKSSA-N 1 1 299.331 -0.534 20 5 CBBDMO C[C@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000246650029 352335624 /nfs/dbraw/zinc/33/56/24/352335624.db2.gz DBILEVYEHUGMJI-GXSJLCMTSA-N 1 1 270.289 -0.127 20 5 CBBDMO C[C@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000246650029 352335625 /nfs/dbraw/zinc/33/56/25/352335625.db2.gz DBILEVYEHUGMJI-GXSJLCMTSA-N 1 1 270.289 -0.127 20 5 CBBDMO C[C@]1(C(N)=O)CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000280820584 352598460 /nfs/dbraw/zinc/59/84/60/352598460.db2.gz USWZXVQKSIMFDJ-NSHDSACASA-N 1 1 267.289 -0.011 20 5 CBBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C[C@H]2C1 ZINC000287189430 352653646 /nfs/dbraw/zinc/65/36/46/352653646.db2.gz TVNGTLHZFMPMHD-OCAPTIKFSA-N 1 1 265.273 -0.049 20 5 CBBDMO COC[C@@H]1CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000293516161 352693502 /nfs/dbraw/zinc/69/35/02/352693502.db2.gz IJIWMWSMMXDVDX-ONGXEEELSA-N 1 1 270.289 -0.127 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCN(C3CC3)CC2)c1 ZINC000304320088 352746241 /nfs/dbraw/zinc/74/62/41/352746241.db2.gz QDUXAPYDCPIJIA-CYBMUJFWSA-N 1 1 295.343 -0.068 20 5 CBBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H](O)C1CC1 ZINC000304788099 352747777 /nfs/dbraw/zinc/74/77/77/352747777.db2.gz QBJUAQXSWKBRAO-NEPJUHHUSA-N 1 1 284.316 -0.145 20 5 CBBDMO C[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1O ZINC000305764400 352750562 /nfs/dbraw/zinc/75/05/62/352750562.db2.gz PHAHWUNPXZMYNF-ADEWGFFLSA-N 1 1 284.316 -0.145 20 5 CBBDMO C[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[N@H+]1CCO ZINC000331120247 352880019 /nfs/dbraw/zinc/88/00/19/352880019.db2.gz AOPWUHCJRVHMNN-JTQLQIEISA-N 1 1 283.332 -0.173 20 5 CBBDMO COCCC[N@@H+](C)CCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000152525036 188025806 /nfs/dbraw/zinc/02/58/06/188025806.db2.gz NJTKBDFLUCLILP-UHFFFAOYSA-N 1 1 299.331 -0.124 20 5 CBBDMO NC(=O)C[C@H]([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000353260080 353530876 /nfs/dbraw/zinc/53/08/76/353530876.db2.gz TUPSHGXPRMCICP-NSHDSACASA-N 1 1 292.295 -0.318 20 5 CBBDMO C[N@H+]1CCC[C@@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000353960101 353536544 /nfs/dbraw/zinc/53/65/44/353536544.db2.gz MUQOHMCTLVAPCV-MRVPVSSYSA-N 1 1 268.277 -0.603 20 5 CBBDMO CN(CC[N@@H+](C)C1CC1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000354093635 353543319 /nfs/dbraw/zinc/54/33/19/353543319.db2.gz SJBPYLDMVLFNEI-UHFFFAOYSA-N 1 1 282.304 -0.261 20 5 CBBDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000355160571 353588424 /nfs/dbraw/zinc/58/84/24/353588424.db2.gz FXADWVZKVXORBR-VIFPVBQESA-N 1 1 297.315 -0.153 20 5 CBBDMO C[N@H+]1CC[C@@](O)(CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000358324665 353638177 /nfs/dbraw/zinc/63/81/77/353638177.db2.gz UUEDIVCJUNDTAM-SNVBAGLBSA-N 1 1 253.262 -0.137 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CC(O)(C3CC3)C2)c1 ZINC000372689281 353721097 /nfs/dbraw/zinc/72/10/97/353721097.db2.gz DACUBDPAYUXBPB-NSHDSACASA-N 1 1 282.300 -0.391 20 5 CBBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)[C@@H]2C1 ZINC000408145354 353858330 /nfs/dbraw/zinc/85/83/30/353858330.db2.gz RSWQYSBIWCNDFB-NXEZZACHSA-N 1 1 294.315 -0.261 20 5 CBBDMO C[C@]1(CO)CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000546103500 354651293 /nfs/dbraw/zinc/65/12/93/354651293.db2.gz CQLVOSLTFGABDJ-VXGBXAGGSA-N 1 1 284.316 -0.001 20 5 CBBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000547761904 354667672 /nfs/dbraw/zinc/66/76/72/354667672.db2.gz FEEXCSURVSXWKO-SECBINFHSA-N 1 1 297.315 -0.153 20 5 CBBDMO Cc1[nH]nc(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000592308922 355147356 /nfs/dbraw/zinc/14/73/56/355147356.db2.gz PBTBEQLXPPPXTA-XPUUQOCRSA-N 1 1 283.288 -0.185 20 5 CBBDMO CN1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCC1=O ZINC000595772878 355306505 /nfs/dbraw/zinc/30/65/05/355306505.db2.gz OIUUTYOTPIQABI-UHFFFAOYSA-N 1 1 294.311 -0.079 20 5 CBBDMO CN1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCC1=O ZINC000595772878 355306509 /nfs/dbraw/zinc/30/65/09/355306509.db2.gz OIUUTYOTPIQABI-UHFFFAOYSA-N 1 1 294.311 -0.079 20 5 CBBDMO [NH3+]CCN(Cc1cc(O)ccc1[N+](=O)[O-])C[C@H](O)CO ZINC000595901657 355316460 /nfs/dbraw/zinc/31/64/60/355316460.db2.gz HBPPYLORZBHCHI-NSHDSACASA-N 1 1 285.300 -0.586 20 5 CBBDMO O=C(NCC12CC(C1)C[NH2+]2)c1n[nH]cc1[N+](=O)[O-] ZINC000595946663 355324459 /nfs/dbraw/zinc/32/44/59/355324459.db2.gz MJROBTSNMKMLHV-UHFFFAOYSA-N 1 1 251.246 -0.200 20 5 CBBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(C)(C)CC[NH3+])n1 ZINC000599098945 355464429 /nfs/dbraw/zinc/46/44/29/355464429.db2.gz DUHSMFBMISISAY-UHFFFAOYSA-N 1 1 291.333 -0.266 20 5 CBBDMO O=C(CCn1cc([N+](=O)[O-])cn1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000600530149 355557062 /nfs/dbraw/zinc/55/70/62/355557062.db2.gz AXPKQVFGTRVKNM-LLVKDONJSA-N 1 1 297.315 -0.636 20 5 CBBDMO O=C(NCC[N@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])o1 ZINC000600808736 355567052 /nfs/dbraw/zinc/56/70/52/355567052.db2.gz QLCLHRHPZPZAJV-QMMMGPOBSA-N 1 1 269.257 -0.016 20 5 CBBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])o1 ZINC000600808736 355567056 /nfs/dbraw/zinc/56/70/56/355567056.db2.gz QLCLHRHPZPZAJV-QMMMGPOBSA-N 1 1 269.257 -0.016 20 5 CBBDMO Cn1cc(C[N@@H+]2CCN3CCOC[C@H]3C2)c([N+](=O)[O-])n1 ZINC000602612314 355665620 /nfs/dbraw/zinc/66/56/20/355665620.db2.gz HSPZZVLDHYUFSY-LLVKDONJSA-N 1 1 281.316 -0.155 20 5 CBBDMO Cn1cc(C[N@H+]2CCN3CCOC[C@H]3C2)c([N+](=O)[O-])n1 ZINC000602612314 355665625 /nfs/dbraw/zinc/66/56/25/355665625.db2.gz HSPZZVLDHYUFSY-LLVKDONJSA-N 1 1 281.316 -0.155 20 5 CBBDMO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cn2)[C@H](CO)C1 ZINC000601980237 355624697 /nfs/dbraw/zinc/62/46/97/355624697.db2.gz SRTZGJQGENSGEG-VIFPVBQESA-N 1 1 253.262 -0.503 20 5 CBBDMO C[N@H+]1CCN(c2ncc([N+](=O)[O-])cn2)[C@H](CO)C1 ZINC000601980237 355624699 /nfs/dbraw/zinc/62/46/99/355624699.db2.gz SRTZGJQGENSGEG-VIFPVBQESA-N 1 1 253.262 -0.503 20 5 CBBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603086605 355695856 /nfs/dbraw/zinc/69/58/56/355695856.db2.gz LTNZHBNIFDUZSD-BXKDBHETSA-N 1 1 265.269 -0.177 20 5 CBBDMO Cc1noc(CN2CC[N@@H+](C)C[C@@H]2CO)c1[N+](=O)[O-] ZINC000602906935 355683456 /nfs/dbraw/zinc/68/34/56/355683456.db2.gz VHZOFXXKZNYGTF-SECBINFHSA-N 1 1 270.289 0.000 20 5 CBBDMO Cc1noc(CN2CC[N@H+](C)C[C@@H]2CO)c1[N+](=O)[O-] ZINC000602906935 355683458 /nfs/dbraw/zinc/68/34/58/355683458.db2.gz VHZOFXXKZNYGTF-SECBINFHSA-N 1 1 270.289 0.000 20 5 CBBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000610714623 355786050 /nfs/dbraw/zinc/78/60/50/355786050.db2.gz ZZTGSHMQWFOHBW-WPRPVWTQSA-N 1 1 294.315 -0.215 20 5 CBBDMO C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1C[N@H+](C)CCO1 ZINC000610907213 355790153 /nfs/dbraw/zinc/79/01/53/355790153.db2.gz FPWHMRMGTLITMF-ONGXEEELSA-N 1 1 297.315 -0.373 20 5 CBBDMO C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1C[N@@H+](C)CCO1 ZINC000610907213 355790156 /nfs/dbraw/zinc/79/01/56/355790156.db2.gz FPWHMRMGTLITMF-ONGXEEELSA-N 1 1 297.315 -0.373 20 5 CBBDMO NC(=O)[C@@H]1CN(c2sccc2[N+](=O)[O-])CC[NH2+]1 ZINC000611411412 355802378 /nfs/dbraw/zinc/80/23/78/355802378.db2.gz UGZMEZOKCQCWKY-LURJTMIESA-N 1 1 256.287 -0.080 20 5 CBBDMO O=C(Cn1ccc([N+](=O)[O-])n1)NCC[N@H+]1CCCOCC1 ZINC000275916326 193161270 /nfs/dbraw/zinc/16/12/70/193161270.db2.gz UJLBEGPMXFRPTM-UHFFFAOYSA-N 1 1 297.315 -0.370 20 5 CBBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H](C)C1 ZINC000330601652 203025940 /nfs/dbraw/zinc/02/59/40/203025940.db2.gz IMDLMORWBXKAMG-BDAKNGLRSA-N 1 1 297.315 -0.155 20 5 CBBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H](C)C1 ZINC000330601652 203025942 /nfs/dbraw/zinc/02/59/42/203025942.db2.gz IMDLMORWBXKAMG-BDAKNGLRSA-N 1 1 297.315 -0.155 20 5 CBBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000331623641 204021482 /nfs/dbraw/zinc/02/14/82/204021482.db2.gz HCOBVCJEAAOKIO-ZJUUUORDSA-N 1 1 294.315 -0.071 20 5 CBBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC1(O)CCC1 ZINC000353476710 220104571 /nfs/dbraw/zinc/10/45/71/220104571.db2.gz AOHKSUCXMMFOHC-LLVKDONJSA-N 1 1 284.316 -0.001 20 5 CBBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H]1C ZINC000285820558 372945191 /nfs/dbraw/zinc/94/51/91/372945191.db2.gz WJXDPPKRODUBKK-RKDXNWHRSA-N 1 1 297.315 -0.155 20 5 CBBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H]1C ZINC000285820558 372945195 /nfs/dbraw/zinc/94/51/95/372945195.db2.gz WJXDPPKRODUBKK-RKDXNWHRSA-N 1 1 297.315 -0.155 20 5 CBBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000360842331 373240342 /nfs/dbraw/zinc/24/03/42/373240342.db2.gz WDOGQGQFTYQLSL-NSHDSACASA-N 1 1 283.288 -0.875 20 5 CBBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000363269612 373485649 /nfs/dbraw/zinc/48/56/49/373485649.db2.gz JCZRKHNBUPKMLK-ZNSHCXBVSA-N 1 1 269.301 -0.369 20 5 CBBDMO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1CC1[N+](=O)[O-] ZINC000363269612 373485655 /nfs/dbraw/zinc/48/56/55/373485655.db2.gz JCZRKHNBUPKMLK-ZNSHCXBVSA-N 1 1 269.301 -0.369 20 5 CBBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1CC1[N+](=O)[O-] ZINC000363269612 373485661 /nfs/dbraw/zinc/48/56/61/373485661.db2.gz JCZRKHNBUPKMLK-ZNSHCXBVSA-N 1 1 269.301 -0.369 20 5 CBBDMO CC[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000264118206 190092142 /nfs/dbraw/zinc/09/21/42/190092142.db2.gz MXDKVHRTBFOWJK-UHFFFAOYSA-N 1 1 294.311 -0.079 20 5 CBBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000264760377 190133336 /nfs/dbraw/zinc/13/33/36/190133336.db2.gz OESDHOYVTCPNHJ-VIFPVBQESA-N 1 1 281.316 -0.102 20 5 CBBDMO CC[N@@H+](CCCO)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266604369 190270488 /nfs/dbraw/zinc/27/04/88/190270488.db2.gz XXUVZKYQRSAQRE-LLVKDONJSA-N 1 1 272.305 -0.144 20 5 CBBDMO CC[N@@H+](CCO)CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000347793265 218358974 /nfs/dbraw/zinc/35/89/74/218358974.db2.gz NQSZFRQHAZYAKQ-UHFFFAOYSA-N 1 1 284.316 -0.023 20 5 CBBDMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000155547966 207384105 /nfs/dbraw/zinc/38/41/05/207384105.db2.gz VTTVXAWGLWVONM-DTORHVGOSA-N 1 1 282.304 -0.263 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](CCO)C2CCC2)c1 ZINC000439270732 208323288 /nfs/dbraw/zinc/32/32/88/208323288.db2.gz HJLXUUOSSZNSAV-LBPRGKRZSA-N 1 1 284.316 -0.001 20 5 CBBDMO C[C@H]1CN(c2ncc([N+](=O)[O-])cn2)CC[N@@H+]1CCO ZINC000302488930 419616521 /nfs/dbraw/zinc/61/65/21/419616521.db2.gz ZAMIJPNAQYQLMH-VIFPVBQESA-N 1 1 267.289 -0.112 20 5 CBBDMO C[C@H]1CN(c2ncc([N+](=O)[O-])cn2)CC[N@H+]1CCO ZINC000302488930 419616529 /nfs/dbraw/zinc/61/65/29/419616529.db2.gz ZAMIJPNAQYQLMH-VIFPVBQESA-N 1 1 267.289 -0.112 20 5 CBBDMO C[C@@H]1C[N@H+](C)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000344420236 419771004 /nfs/dbraw/zinc/77/10/04/419771004.db2.gz GDPHXJUPQRMLNM-SSDOTTSWSA-N 1 1 252.278 0.107 20 5 CBBDMO C[C@@H]1C[N@@H+](C)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000344420236 419771009 /nfs/dbraw/zinc/77/10/09/419771009.db2.gz GDPHXJUPQRMLNM-SSDOTTSWSA-N 1 1 252.278 0.107 20 5 CBBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH2+][C@@H](C(N)=O)C1 ZINC000360879341 420017151 /nfs/dbraw/zinc/01/71/51/420017151.db2.gz FJDJMVXLMVKXLJ-MRVPVSSYSA-N 1 1 282.304 -0.617 20 5 CBBDMO CC(C)(O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000364613020 420044511 /nfs/dbraw/zinc/04/45/11/420044511.db2.gz NQXYPJHTXXVQSM-GHMZBOCLSA-N 1 1 285.344 -0.043 20 5 CBBDMO CC(C)(O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000364613020 420044517 /nfs/dbraw/zinc/04/45/17/420044517.db2.gz NQXYPJHTXXVQSM-GHMZBOCLSA-N 1 1 285.344 -0.043 20 5 CBBDMO CC(C)(O)C[N@H+]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000364613020 420044518 /nfs/dbraw/zinc/04/45/18/420044518.db2.gz NQXYPJHTXXVQSM-GHMZBOCLSA-N 1 1 285.344 -0.043 20 5 CBBDMO CC(C)(O)C[N@H+]1CCCN(C(=O)[C@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000364613023 420044841 /nfs/dbraw/zinc/04/48/41/420044841.db2.gz NQXYPJHTXXVQSM-WDEREUQCSA-N 1 1 285.344 -0.043 20 5 CBBDMO CC(C)(O)C[N@@H+]1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000364613023 420044844 /nfs/dbraw/zinc/04/48/44/420044844.db2.gz NQXYPJHTXXVQSM-WDEREUQCSA-N 1 1 285.344 -0.043 20 5 CBBDMO CC(C)(O)C[N@H+]1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000364613023 420044847 /nfs/dbraw/zinc/04/48/47/420044847.db2.gz NQXYPJHTXXVQSM-WDEREUQCSA-N 1 1 285.344 -0.043 20 5 CBBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[NH2+]C[C@H]1C(F)F ZINC000368010240 420122269 /nfs/dbraw/zinc/12/22/69/420122269.db2.gz REEKYWRZNDQJBY-QMMMGPOBSA-N 1 1 289.242 -0.143 20 5 CBBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCN3CCOC[C@H]3C2)n1 ZINC000368834846 420143424 /nfs/dbraw/zinc/14/34/24/420143424.db2.gz POWISWZEWLFXQG-LLVKDONJSA-N 1 1 281.316 -0.192 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@H](O)C3(CC3)C2)c1 ZINC000368787687 420144976 /nfs/dbraw/zinc/14/49/76/420144976.db2.gz ZHILTRASWCRVFB-MNOVXSKESA-N 1 1 282.300 -0.391 20 5 CBBDMO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405283343 420226647 /nfs/dbraw/zinc/22/66/47/420226647.db2.gz CUUWRDZYOAGAOM-DTWKUNHWSA-N 1 1 280.284 -0.186 20 5 CBBDMO O=[N+]([O-])c1cnc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)nc1 ZINC000405282007 420227064 /nfs/dbraw/zinc/22/70/64/420227064.db2.gz WCIYGPYYNBYPSM-WCBMZHEXSA-N 1 1 265.273 -0.360 20 5 CBBDMO C[N@H+]1CC[C@@H]2CN(c3ncc([N+](=O)[O-])c(N)n3)C[C@@H]21 ZINC000450787119 420298889 /nfs/dbraw/zinc/29/88/89/420298889.db2.gz IAJMCDOUYKHLLM-APPZFPTMSA-N 1 1 264.289 0.107 20 5 CBBDMO CC[N@@H+](CCO)CCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000568105897 420450248 /nfs/dbraw/zinc/45/02/48/420450248.db2.gz BLOHOSGMQBBBBD-UHFFFAOYSA-N 1 1 297.315 -0.384 20 5 CBBDMO Nc1nc(N2CC(C[NH+]3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC000590567976 420479931 /nfs/dbraw/zinc/47/99/31/420479931.db2.gz KUDSYFQKJKLQSN-UHFFFAOYSA-N 1 1 294.315 -0.265 20 5 CBBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH2+][C@H](C(N)=O)C1 ZINC000280087346 276722168 /nfs/dbraw/zinc/72/21/68/276722168.db2.gz SDOMQPCINADJET-QMMMGPOBSA-N 1 1 282.304 -0.617 20 5 CBBDMO C[C@@H](O)C[N@@H+](CCO)CCn1cc([N+](=O)[O-])ccc1=O ZINC000289738514 278394048 /nfs/dbraw/zinc/39/40/48/278394048.db2.gz JKPINJNVOOHFKC-SNVBAGLBSA-N 1 1 285.300 -0.568 20 5 CBBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)Cn1nnnc1C[NH3+] ZINC000580308498 327778647 /nfs/dbraw/zinc/77/86/47/327778647.db2.gz HMKKPQNGGOICJY-UHFFFAOYSA-N 1 1 291.271 -0.013 20 5 CBBDMO CC(=O)NCC[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000576277139 335181245 /nfs/dbraw/zinc/18/12/45/335181245.db2.gz QPMJWYGMCIIXDQ-NSHDSACASA-N 1 1 285.304 -0.780 20 5 CBBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[NH2+]C[C@H]1C(F)F ZINC000567672725 334750305 /nfs/dbraw/zinc/75/03/05/334750305.db2.gz GXEBDVDZDAOMRV-LURJTMIESA-N 1 1 290.230 -0.748 20 5 CBBDMO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)NC ZINC000747962001 582287140 /nfs/dbraw/zinc/28/71/40/582287140.db2.gz PEICYIYDGHNYMB-UHFFFAOYSA-N 1 1 255.278 -0.141 20 5 CBBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)NC ZINC000747962001 582287141 /nfs/dbraw/zinc/28/71/41/582287141.db2.gz PEICYIYDGHNYMB-UHFFFAOYSA-N 1 1 255.278 -0.141 20 5 CBBDMO O=C(CC[NH+]1CCOCC1)NCCn1cc([N+](=O)[O-])cn1 ZINC000769382454 582335945 /nfs/dbraw/zinc/33/59/45/582335945.db2.gz PHDFAJVWIPSJFK-UHFFFAOYSA-N 1 1 297.315 -0.370 20 5 CBBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000776588675 582355567 /nfs/dbraw/zinc/35/55/67/582355567.db2.gz AJOVJWJPFDTTKD-UTUOFQBUSA-N 1 1 268.269 -0.334 20 5 CBBDMO COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839666452 583157180 /nfs/dbraw/zinc/15/71/80/583157180.db2.gz NDVRNRPPBOLDOJ-OPRDCNLKSA-N 1 1 257.290 -0.512 20 5 CBBDMO COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839666452 583157183 /nfs/dbraw/zinc/15/71/83/583157183.db2.gz NDVRNRPPBOLDOJ-OPRDCNLKSA-N 1 1 257.290 -0.512 20 5 CBBDMO COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839666452 583157186 /nfs/dbraw/zinc/15/71/86/583157186.db2.gz NDVRNRPPBOLDOJ-OPRDCNLKSA-N 1 1 257.290 -0.512 20 5 CBBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839729749 583158734 /nfs/dbraw/zinc/15/87/34/583158734.db2.gz DNXSOASMPMWLQW-HBNTYKKESA-N 1 1 285.344 -0.045 20 5 CBBDMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839729749 583158735 /nfs/dbraw/zinc/15/87/35/583158735.db2.gz DNXSOASMPMWLQW-HBNTYKKESA-N 1 1 285.344 -0.045 20 5 CBBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839729749 583158738 /nfs/dbraw/zinc/15/87/38/583158738.db2.gz DNXSOASMPMWLQW-HBNTYKKESA-N 1 1 285.344 -0.045 20 5 CBBDMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839781246 583160050 /nfs/dbraw/zinc/16/00/50/583160050.db2.gz LBDLXEBSXWGHIB-GMTAPVOTSA-N 1 1 271.317 -0.385 20 5 CBBDMO O=C(NC[C@H]1CCCC[N@H+]1CCO)[C@@H]1CC1[N+](=O)[O-] ZINC000839781246 583160051 /nfs/dbraw/zinc/16/00/51/583160051.db2.gz LBDLXEBSXWGHIB-GMTAPVOTSA-N 1 1 271.317 -0.385 20 5 CBBDMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)[C@@H]1CC1[N+](=O)[O-] ZINC000839781246 583160053 /nfs/dbraw/zinc/16/00/53/583160053.db2.gz LBDLXEBSXWGHIB-GMTAPVOTSA-N 1 1 271.317 -0.385 20 5 CBBDMO COC(=O)[C@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000840500431 583165448 /nfs/dbraw/zinc/16/54/48/583165448.db2.gz WPEFRENJGYISBS-OPRDCNLKSA-N 1 1 285.300 -0.785 20 5 CBBDMO CON1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000846977062 583394666 /nfs/dbraw/zinc/39/46/66/583394666.db2.gz OOMXGAZSSGXNHM-NSHDSACASA-N 1 1 285.304 -0.669 20 5 CBBDMO C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000854642083 583614130 /nfs/dbraw/zinc/61/41/30/583614130.db2.gz INQDIGKOUJSKNV-DDHJBXDOSA-N 1 1 283.328 -0.027 20 5 CBBDMO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000854642083 583614131 /nfs/dbraw/zinc/61/41/31/583614131.db2.gz INQDIGKOUJSKNV-DDHJBXDOSA-N 1 1 283.328 -0.027 20 5 CBBDMO C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000854642083 583614132 /nfs/dbraw/zinc/61/41/32/583614132.db2.gz INQDIGKOUJSKNV-DDHJBXDOSA-N 1 1 283.328 -0.027 20 5 CBBDMO C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000854642086 583614176 /nfs/dbraw/zinc/61/41/76/583614176.db2.gz INQDIGKOUJSKNV-WRWGMCAJSA-N 1 1 283.328 -0.027 20 5 CBBDMO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000854642086 583614177 /nfs/dbraw/zinc/61/41/77/583614177.db2.gz INQDIGKOUJSKNV-WRWGMCAJSA-N 1 1 283.328 -0.027 20 5 CBBDMO C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000854642086 583614178 /nfs/dbraw/zinc/61/41/78/583614178.db2.gz INQDIGKOUJSKNV-WRWGMCAJSA-N 1 1 283.328 -0.027 20 5 CBBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2C[C@H](O)[C@@H](O)C2)c1 ZINC000859455743 583721143 /nfs/dbraw/zinc/72/11/43/583721143.db2.gz OOPSMFZSQKKHHL-SRVKXCTJSA-N 1 1 268.269 -0.334 20 5 CBBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000874846347 584092723 /nfs/dbraw/zinc/09/27/23/584092723.db2.gz YCOXGBXFKMCFSV-NXEZZACHSA-N 1 1 294.315 -0.119 20 5 CBBDMO O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000879993678 584258836 /nfs/dbraw/zinc/25/88/36/584258836.db2.gz ZRRZVLCGOQGORV-OPRDCNLKSA-N 1 1 257.290 -0.776 20 5 CBBDMO O=[N+]([O-])c1ccn(CCN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)n1 ZINC000880071448 584260575 /nfs/dbraw/zinc/26/05/75/584260575.db2.gz ACAVIRGLOYLIHW-NWDGAFQWSA-N 1 1 295.343 -0.068 20 5 CBBDMO C[C@H]1CN(c2c([N+](=O)[O-])cnn2C)CC[N@@H+]1CCO ZINC000893277829 584638494 /nfs/dbraw/zinc/63/84/94/584638494.db2.gz WJMMGCLGZCTATO-VIFPVBQESA-N 1 1 269.305 -0.169 20 5 CBBDMO C[C@H]1CN(c2c([N+](=O)[O-])cnn2C)CC[N@H+]1CCO ZINC000893277829 584638495 /nfs/dbraw/zinc/63/84/95/584638495.db2.gz WJMMGCLGZCTATO-VIFPVBQESA-N 1 1 269.305 -0.169 20 5 CBBDMO CN(CC(=O)N1CC[NH+](C)CC1)c1c([N+](=O)[O-])cnn1C ZINC000894958169 584667677 /nfs/dbraw/zinc/66/76/77/584667677.db2.gz MNWYJTUJSUUVRX-UHFFFAOYSA-N 1 1 296.331 -0.462 20 5 CBBDMO CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC000941407208 614604842 /nfs/dbraw/zinc/60/48/42/614604842.db2.gz MWBAGPXGPQCOEM-CHWSQXEVSA-N 1 1 296.371 -0.110 20 5 CBBDMO C[NH2+]CCCN(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000923377027 658246156 /nfs/dbraw/zinc/24/61/56/658246156.db2.gz FBIWYWSWTRBEQA-NSHDSACASA-N 1 1 271.321 -0.307 20 5 CBBDMO O=C([C@H]1CCC[N@H+](CC[N+](=O)[O-])C1)N1CCOCC1 ZINC000929198622 659098536 /nfs/dbraw/zinc/09/85/36/659098536.db2.gz HFCOGCJGXIDAGV-NSHDSACASA-N 1 1 271.317 -0.166 20 5 CBBDMO CN(CCc1ccccn1)C(=O)C[NH2+]CC[N+](=O)[O-] ZINC000905087642 656336956 /nfs/dbraw/zinc/33/69/56/656336956.db2.gz FTCRCVZJUWCJCO-UHFFFAOYSA-N 1 1 266.301 -0.051 20 5 CBBDMO C[C@@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000905146918 656341166 /nfs/dbraw/zinc/34/11/66/656341166.db2.gz SWBMKHFKJYEZIX-PSASIEDQSA-N 1 1 267.289 -0.220 20 5 CBBDMO CON(C)C(=O)[C@H](CCSC)[NH2+]CC[N+](=O)[O-] ZINC000905167430 656342436 /nfs/dbraw/zinc/34/24/36/656342436.db2.gz VANRMFQRORKNLA-QMMMGPOBSA-N 1 1 265.335 -0.006 20 5 CBBDMO C[N@H+]1CC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000928563779 659045197 /nfs/dbraw/zinc/04/51/97/659045197.db2.gz RINICIQSAGTWDG-VIFPVBQESA-N 1 1 280.284 -0.423 20 5 CBBDMO C[N@H+]1CC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000928567521 659049576 /nfs/dbraw/zinc/04/95/76/659049576.db2.gz QBBKNRPBJOXJFC-QMMMGPOBSA-N 1 1 253.262 -0.388 20 5 CBBDMO CN(CC[N@@H+](C)CCO)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000691297427 790674570 /nfs/dbraw/zinc/67/45/70/790674570.db2.gz GMKMWQCFWKLLOE-UHFFFAOYSA-N 1 1 284.316 -0.071 20 5 CBBDMO O=C(C[NH2+][C@@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)N1CCC1 ZINC001022061514 790987527 /nfs/dbraw/zinc/98/75/27/790987527.db2.gz LWCOKHFKGWGFLQ-LMLFDSFASA-N 1 1 296.327 -0.879 20 5 CBBDMO O=C(N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775186 798974629 /nfs/dbraw/zinc/97/46/29/798974629.db2.gz BPRJANSEOFSEIC-NZFPMDFQSA-N 1 1 269.301 -0.920 20 5 CBBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775186 798974632 /nfs/dbraw/zinc/97/46/32/798974632.db2.gz BPRJANSEOFSEIC-NZFPMDFQSA-N 1 1 269.301 -0.920 20 5 CBBDMO O=C(N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775186 798974636 /nfs/dbraw/zinc/97/46/36/798974636.db2.gz BPRJANSEOFSEIC-NZFPMDFQSA-N 1 1 269.301 -0.920 20 5 CBBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001029305426 799194735 /nfs/dbraw/zinc/19/47/35/799194735.db2.gz YJTYBILUDCNNME-LMLFDSFASA-N 1 1 269.301 -0.681 20 5 CBBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCO ZINC001029304919 799194796 /nfs/dbraw/zinc/19/47/96/799194796.db2.gz NSWGOLRDROEOTP-WRWGMCAJSA-N 1 1 283.328 -0.291 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCO ZINC001029304919 799194797 /nfs/dbraw/zinc/19/47/97/799194797.db2.gz NSWGOLRDROEOTP-WRWGMCAJSA-N 1 1 283.328 -0.291 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCO ZINC001029304919 799194799 /nfs/dbraw/zinc/19/47/99/799194799.db2.gz NSWGOLRDROEOTP-WRWGMCAJSA-N 1 1 283.328 -0.291 20 5 CBBDMO O=C(NCC1C[NH+](CCCO)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031660832 799530493 /nfs/dbraw/zinc/53/04/93/799530493.db2.gz TXEQVSCZYTUTGC-NXEZZACHSA-N 1 1 257.290 -0.918 20 5 CBBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC[N@H+](CCO)C2)CC1 ZINC001035186426 799868679 /nfs/dbraw/zinc/86/86/79/799868679.db2.gz DWZVMWMTJAYYKM-VXGBXAGGSA-N 1 1 297.355 -0.042 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC[N@@H+](CCO)C2)CC1 ZINC001035186426 799868688 /nfs/dbraw/zinc/86/86/88/799868688.db2.gz DWZVMWMTJAYYKM-VXGBXAGGSA-N 1 1 297.355 -0.042 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC[N@H+](CCO)C2)CC1 ZINC001035186426 799868696 /nfs/dbraw/zinc/86/86/96/799868696.db2.gz DWZVMWMTJAYYKM-VXGBXAGGSA-N 1 1 297.355 -0.042 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(C[NH+](CCO)C2)CC1 ZINC001035707591 799960213 /nfs/dbraw/zinc/96/02/13/799960213.db2.gz PEJWCFBQJNIQKI-GHMZBOCLSA-N 1 1 283.328 -0.432 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(C[NH+](CCCO)C2)CC1 ZINC001035707625 799960306 /nfs/dbraw/zinc/96/03/06/799960306.db2.gz PKASFVMSLMKGBC-VXGBXAGGSA-N 1 1 297.355 -0.042 20 5 CBBDMO NC(=O)C[C@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001323419342 804025819 /nfs/dbraw/zinc/02/58/19/804025819.db2.gz PELVHHJSYUFTEA-MWLCHTKSSA-N 1 1 297.315 -0.651 20 5 CBBDMO Cc1ncc([N+](=O)[O-])c(-n2cnc(C[NH3+])cc2=N)n1 ZINC001156623637 815370466 /nfs/dbraw/zinc/37/04/66/815370466.db2.gz CTLYVFZMILTOCJ-UHFFFAOYSA-N 1 1 261.245 -0.183 20 5 CBBDMO Cn1cncc1C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157761099 815462737 /nfs/dbraw/zinc/46/27/37/815462737.db2.gz MVFBVZFKUDWFJY-GHMZBOCLSA-N 1 1 281.316 -0.319 20 5 CBBDMO O=C(N[C@@H]1CCC[N@H+](CCCO)C1)c1c[nH]nc1[N+](=O)[O-] ZINC001158481790 815535581 /nfs/dbraw/zinc/53/55/81/815535581.db2.gz HNQPJZAABZTDBJ-SECBINFHSA-N 1 1 297.315 -0.106 20 5 CBBDMO Cn1cc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CC[C@@H](O)C2)n1 ZINC001118954344 812674902 /nfs/dbraw/zinc/67/49/02/812674902.db2.gz YXRZQIMVFPLGAC-MRVPVSSYSA-N 1 1 283.288 -0.875 20 5 CBBDMO CCOCCC(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001124691505 813469985 /nfs/dbraw/zinc/46/99/85/813469985.db2.gz SZPXJTIZPCDCHG-UHFFFAOYSA-N 1 1 299.331 -0.039 20 5 CBBDMO COc1ncccc1C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126932335 813694419 /nfs/dbraw/zinc/69/44/19/813694419.db2.gz SUBUSDWEJBXBEK-GHMZBOCLSA-N 1 1 294.311 -0.039 20 5 CBBDMO COc1cc(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])ccn1 ZINC001126932211 813695229 /nfs/dbraw/zinc/69/52/29/813695229.db2.gz MIYBTSFVGREXBA-GHMZBOCLSA-N 1 1 294.311 -0.039 20 5 CBBDMO Cc1cc(C)n(CC[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001126936685 813696877 /nfs/dbraw/zinc/69/68/77/813696877.db2.gz QLMZRVSLNQGXJH-VXGBXAGGSA-N 1 1 295.343 -0.129 20 5 CBBDMO COCCCC[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126938763 813698095 /nfs/dbraw/zinc/69/80/95/813698095.db2.gz KEEXPKRDYRDRLZ-NXEZZACHSA-N 1 1 259.306 -0.216 20 5 CBBDMO O=C1C[NH2+]CCN1CCNc1ncc([N+](=O)[O-])cc1F ZINC001161019093 815695904 /nfs/dbraw/zinc/69/59/04/815695904.db2.gz KRUMOUNAXMZAKY-UHFFFAOYSA-N 1 1 283.263 -0.027 20 5 CBBDMO [NH3+][C@@H]1NCN(c2ncc([N+](=O)[O-])cc2Cl)[C@@H]2NCN[C@H]21 ZINC001162435137 815816307 /nfs/dbraw/zinc/81/63/07/815816307.db2.gz BBDIUJFEBXGYTQ-XKSSXDPKSA-N 1 1 299.722 -0.860 20 5 CBBDMO [NH3+][C@@H]1NCN(c2cc(Cl)ncc2[N+](=O)[O-])[C@H]2NCN[C@H]21 ZINC001162436243 815818040 /nfs/dbraw/zinc/81/80/40/815818040.db2.gz JBXGJXYZVNCXNZ-IVZWLZJFSA-N 1 1 299.722 -0.860 20 5 CBBDMO C[N@H+]1CCCN(CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001292967697 816492622 /nfs/dbraw/zinc/49/26/22/816492622.db2.gz AVQRYJOIOGEEGQ-VXGBXAGGSA-N 1 1 284.360 -0.205 20 5 CBBDMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1c[nH]nc1[N+](=O)[O-] ZINC001298329300 816677956 /nfs/dbraw/zinc/67/79/56/816677956.db2.gz YPEWODBXFXYDMN-SECBINFHSA-N 1 1 297.315 -0.106 20 5 CBBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)CC[NH+](C)C)C1 ZINC001299345742 816721104 /nfs/dbraw/zinc/72/11/04/816721104.db2.gz MFTDYFHWSDWGFF-GHMZBOCLSA-N 1 1 298.343 -0.728 20 5 CBBDMO Cn1cc([N+](=O)[O-])c(N2CC[N@@H+]3CCOC[C@@H]3C2)n1 ZINC001307090757 816795135 /nfs/dbraw/zinc/79/51/35/816795135.db2.gz NYPCLQSUWITZOX-VIFPVBQESA-N 1 1 267.289 -0.151 20 5 CBBDMO Cn1cc([N+](=O)[O-])c(N2CC[N@H+]3CCOC[C@@H]3C2)n1 ZINC001307090757 816795140 /nfs/dbraw/zinc/79/51/40/816795140.db2.gz NYPCLQSUWITZOX-VIFPVBQESA-N 1 1 267.289 -0.151 20 5 CBBDMO CC(=O)N[C@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001307857861 816814038 /nfs/dbraw/zinc/81/40/38/816814038.db2.gz ZZTHNRAUZKEMRV-CMPLNLGQSA-N 1 1 297.315 -0.637 20 5 CBBDMO CC(=O)N[C@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001307857862 816814755 /nfs/dbraw/zinc/81/47/55/816814755.db2.gz ZZTHNRAUZKEMRV-JQWIXIFHSA-N 1 1 297.315 -0.637 20 5 CBBDMO CN1C(=O)[C@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)C[C@H]2C1=O ZINC001308005052 816816098 /nfs/dbraw/zinc/81/60/98/816816098.db2.gz BHNYSXUOURQNRJ-DTORHVGOSA-N 1 1 293.283 -0.662 20 5 CBBDMO CC[N@@H+](CCO)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001316891311 816899929 /nfs/dbraw/zinc/89/99/29/816899929.db2.gz WYCFBKLEGBDLJU-NXEZZACHSA-N 1 1 259.306 -0.528 20 5 CBBDMO CC[N@H+](CCO)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001316891311 816899936 /nfs/dbraw/zinc/89/99/36/816899936.db2.gz WYCFBKLEGBDLJU-NXEZZACHSA-N 1 1 259.306 -0.528 20 5 CBBDMO CC[N@@H+](CCO)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001316891311 816899941 /nfs/dbraw/zinc/89/99/41/816899941.db2.gz WYCFBKLEGBDLJU-NXEZZACHSA-N 1 1 259.306 -0.528 20 5 CBBDMO CCCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001317109417 816932826 /nfs/dbraw/zinc/93/28/26/816932826.db2.gz JCZPMMJBIDADOP-LMLFDSFASA-N 1 1 298.343 -0.585 20 5 CBBDMO C[C@H]1C[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@H+]1C ZINC001318748144 817139472 /nfs/dbraw/zinc/13/94/72/817139472.db2.gz HNCKFAOSOPBTDH-DTWKUNHWSA-N 1 1 282.304 -0.215 20 5 CBBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCC[NH+]1CC=CC1 ZINC001319376779 817198124 /nfs/dbraw/zinc/19/81/24/817198124.db2.gz ANICBYSYFIUZBE-UHFFFAOYSA-N 1 1 292.295 -0.256 20 5 CBBDMO C[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC001319607630 817225334 /nfs/dbraw/zinc/22/53/34/817225334.db2.gz OBSYNNDBDWQRTL-VIFPVBQESA-N 1 1 296.331 -0.316 20 5 CBBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC001320227638 817298685 /nfs/dbraw/zinc/29/86/85/817298685.db2.gz DTHQAEULVMMKBQ-NSHDSACASA-N 1 1 283.288 -0.875 20 5 CBBDMO NC(=O)[C@@H]1CN(c2nccc(Cl)c2[N+](=O)[O-])CC[NH2+]1 ZINC001166724115 820023326 /nfs/dbraw/zinc/02/33/26/820023326.db2.gz QOVLYZMHNVHWFP-ZETCQYMHSA-N 1 1 285.691 -0.093 20 5 CBBDMO Cc1c(C)c(N2CC[NH2+][C@@H](C(N)=O)C2)ncc1[N+](=O)[O-] ZINC001166724816 820027305 /nfs/dbraw/zinc/02/73/05/820027305.db2.gz GTSMKWUQLIHSLR-SECBINFHSA-N 1 1 279.300 -0.130 20 5 CBBDMO COc1cnc(N2CC[NH2+][C@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC001166725760 820031573 /nfs/dbraw/zinc/03/15/73/820031573.db2.gz SLRLWIFCWHXSPF-QMMMGPOBSA-N 1 1 281.272 -0.738 20 5 CBBDMO N=c1cc(C[NH3+])ncn1-c1cc([N+](=O)[O-])c2nncn2c1 ZINC001167359637 820086304 /nfs/dbraw/zinc/08/63/04/820086304.db2.gz RVRSJSMHIUYYKF-UHFFFAOYSA-N 1 1 286.255 -0.239 20 5 CBBDMO CN1CCN(C(=[NH2+])Nc2cnc([N+](=O)[O-])cn2)CC1 ZINC001168736136 820169076 /nfs/dbraw/zinc/16/90/76/820169076.db2.gz BMUPJKHJHCIMIT-UHFFFAOYSA-N 1 1 265.277 -0.021 20 5 CBBDMO COC(=O)c1cc([N+](=O)[O-])cc(-n2cnc(C[NH3+])n2)n1 ZINC001168749881 820174678 /nfs/dbraw/zinc/17/46/78/820174678.db2.gz HQJAESAVJFKGOQ-UHFFFAOYSA-N 1 1 278.228 -0.184 20 5 CBBDMO Cc1c[n+]([O-])c(-n2cnc(C[NH3+])n2)cc1[N+](=O)[O-] ZINC001168749958 820174860 /nfs/dbraw/zinc/17/48/60/820174860.db2.gz OZNMLWPTJPEUCC-UHFFFAOYSA-N 1 1 250.218 -0.424 20 5 CBBDMO CC[C@@]([NH3+])(CO)Nc1c(F)c([N+](=O)[O-])cc[n+]1[O-] ZINC001170858206 820328675 /nfs/dbraw/zinc/32/86/75/820328675.db2.gz KAOPVZLKYVDYCO-VIFPVBQESA-N 1 1 260.225 -0.164 20 5 CBBDMO C[C@H]1C[N@H+](CCO)CCN1c1ncc([N+](=O)[O-])cn1 ZINC001186681377 821193160 /nfs/dbraw/zinc/19/31/60/821193160.db2.gz RNAHBPITWBTQMF-VIFPVBQESA-N 1 1 267.289 -0.112 20 5 CBBDMO C[C@H]1C[N@@H+](CCO)CCN1c1ncc([N+](=O)[O-])cn1 ZINC001186681377 821193163 /nfs/dbraw/zinc/19/31/63/821193163.db2.gz RNAHBPITWBTQMF-VIFPVBQESA-N 1 1 267.289 -0.112 20 5 CBBDMO C[NH+]1CCC(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001283004356 828488456 /nfs/dbraw/zinc/48/84/56/828488456.db2.gz DNPJNTAAEKEQJF-GHMZBOCLSA-N 1 1 298.343 -0.774 20 5 CBBDMO C[NH+]1CCN(C(=O)CO[C@@H](C[N+](=O)[O-])C2CC2)CC1 ZINC001222543069 825217194 /nfs/dbraw/zinc/21/71/94/825217194.db2.gz MITINNJWVZDIFG-NSHDSACASA-N 1 1 271.317 -0.168 20 5 CBBDMO Cn1c(C[N+](=O)[O-])nnc1N1CC[NH+](C2CC2)CC1 ZINC001338061371 889112014 /nfs/dbraw/zinc/11/20/14/889112014.db2.gz ZPCGTEHAOJSHFF-UHFFFAOYSA-N 1 1 266.305 -0.124 20 5 CBBDMO Cc1nc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001326839441 885170804 /nfs/dbraw/zinc/17/08/04/885170804.db2.gz RLIDNWIFHSLYCI-VHSXEESVSA-N 1 1 279.300 -0.052 20 5 CBBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)n1 ZINC001447363201 913063620 /nfs/dbraw/zinc/06/36/20/913063620.db2.gz RLDPXVSKNJEPPK-GFCCVEGCSA-N 1 1 297.315 -0.392 20 5 CBBDMO C[N@@H+](CCCO)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001331016746 886646479 /nfs/dbraw/zinc/64/64/79/886646479.db2.gz RYPHSRKFCZJCCY-VXGBXAGGSA-N 1 1 285.344 -0.043 20 5 CBBDMO C[N@H+](CCCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001331016746 886646488 /nfs/dbraw/zinc/64/64/88/886646488.db2.gz RYPHSRKFCZJCCY-VXGBXAGGSA-N 1 1 285.344 -0.043 20 5 CBBDMO C[N@@H+](CCCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001331016746 886646495 /nfs/dbraw/zinc/64/64/95/886646495.db2.gz RYPHSRKFCZJCCY-VXGBXAGGSA-N 1 1 285.344 -0.043 20 5 CBBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)n1 ZINC001332710484 887415831 /nfs/dbraw/zinc/41/58/31/887415831.db2.gz BIXPFLLOBFQDTR-SECBINFHSA-N 1 1 295.299 -0.781 20 5 CBBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)n1 ZINC001332710484 887415834 /nfs/dbraw/zinc/41/58/34/887415834.db2.gz BIXPFLLOBFQDTR-SECBINFHSA-N 1 1 295.299 -0.781 20 5 CBBDMO C[N@H+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@H](CO)C1 ZINC001333428879 887635156 /nfs/dbraw/zinc/63/51/56/887635156.db2.gz LKLUVSAVKRZOSP-LBPRGKRZSA-N 1 1 296.327 -0.635 20 5 CBBDMO Cn1c(C[N+](=O)[O-])nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001339666222 889307837 /nfs/dbraw/zinc/30/78/37/889307837.db2.gz LPBYVTVDUZYENQ-VIFPVBQESA-N 1 1 282.304 -0.887 20 5 CBBDMO Cn1c(C[N+](=O)[O-])nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001339666222 889307850 /nfs/dbraw/zinc/30/78/50/889307850.db2.gz LPBYVTVDUZYENQ-VIFPVBQESA-N 1 1 282.304 -0.887 20 5 CBBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC001341498540 889609638 /nfs/dbraw/zinc/60/96/38/889609638.db2.gz KUZDRZNXBMKGBL-JTQLQIEISA-N 1 1 255.278 -0.316 20 5 CBBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC001341498540 889609641 /nfs/dbraw/zinc/60/96/41/889609641.db2.gz KUZDRZNXBMKGBL-JTQLQIEISA-N 1 1 255.278 -0.316 20 5 CBBDMO Cc1nn(C)c(C(=O)NCC[N@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC001348480591 890631594 /nfs/dbraw/zinc/63/15/94/890631594.db2.gz ZQTNQZKAXUMTNB-SECBINFHSA-N 1 1 297.315 -0.567 20 5 CBBDMO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001348511647 890637146 /nfs/dbraw/zinc/63/71/46/890637146.db2.gz SZBDFYRYGHSXPS-QMMMGPOBSA-N 1 1 282.304 -0.707 20 5 CBBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001348511647 890637152 /nfs/dbraw/zinc/63/71/52/890637152.db2.gz SZBDFYRYGHSXPS-QMMMGPOBSA-N 1 1 282.304 -0.707 20 5 CBBDMO CC[N@@H+]1CC[C@@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001350851766 891058325 /nfs/dbraw/zinc/05/83/25/891058325.db2.gz QTSAZZVLAUTKLG-SNVBAGLBSA-N 1 1 294.311 -0.033 20 5 CBBDMO CC[N@H+]1CC[C@@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001350851766 891058334 /nfs/dbraw/zinc/05/83/34/891058334.db2.gz QTSAZZVLAUTKLG-SNVBAGLBSA-N 1 1 294.311 -0.033 20 5 CBBDMO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC([NH2+]C2COC2)C1 ZINC001456515034 914483014 /nfs/dbraw/zinc/48/30/14/914483014.db2.gz MQBHTKCYVKTYCU-UHFFFAOYSA-N 1 1 266.257 -0.264 20 5 CBBDMO O=[N+]([O-])c1cnc(NC[C@@]2(CO)COCC[NH2+]2)c(F)c1 ZINC001472866984 915775313 /nfs/dbraw/zinc/77/53/13/915775313.db2.gz BMWKRHVRIREFIW-LLVKDONJSA-N 1 1 286.263 -0.108 20 5 CBBDMO O=c1cc([C@H]2CC[N@@H+](CC[N+](=O)[O-])C2)[nH]c(=O)[nH]1 ZINC001473602434 915842447 /nfs/dbraw/zinc/84/24/47/915842447.db2.gz QMKRPRLTFSCUBB-ZETCQYMHSA-N 1 1 254.246 -0.046 20 5 CBBDMO O=c1cc([C@H]2CC[N@H+](CC[N+](=O)[O-])C2)[nH]c(=O)[nH]1 ZINC001473602434 915842461 /nfs/dbraw/zinc/84/24/61/915842461.db2.gz QMKRPRLTFSCUBB-ZETCQYMHSA-N 1 1 254.246 -0.046 20 5 CBBDMO O=C(NC/C=C\C[NH2+]CCCO)[C@@H]1CC1[N+](=O)[O-] ZINC001483006977 917374029 /nfs/dbraw/zinc/37/40/29/917374029.db2.gz CBXPRNWDVNXLPI-BSANDHCLSA-N 1 1 257.290 -0.704 20 5 CBBDMO C[N@@H+](CCNC(=O)C1CC1)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001492249098 919374528 /nfs/dbraw/zinc/37/45/28/919374528.db2.gz AODRATKMGFAODX-GHMZBOCLSA-N 1 1 298.343 -0.774 20 5 CBBDMO C[N@H+](CCNC(=O)C1CC1)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001492249098 919374543 /nfs/dbraw/zinc/37/45/43/919374543.db2.gz AODRATKMGFAODX-GHMZBOCLSA-N 1 1 298.343 -0.774 20 5 CBBDMO C[N@@H+](CCNC(=O)C1CC1)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001492249098 919374559 /nfs/dbraw/zinc/37/45/59/919374559.db2.gz AODRATKMGFAODX-GHMZBOCLSA-N 1 1 298.343 -0.774 20 5 CBBDMO CC(C)[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(N)=O ZINC001493858939 919632102 /nfs/dbraw/zinc/63/21/02/919632102.db2.gz KLQJKCDPCCHPEA-NXEZZACHSA-N 1 1 286.332 -0.646 20 5 CBBDMO CC(C)[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC(N)=O ZINC001493858939 919632112 /nfs/dbraw/zinc/63/21/12/919632112.db2.gz KLQJKCDPCCHPEA-NXEZZACHSA-N 1 1 286.332 -0.646 20 5 CBBDMO CC(C)[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC(N)=O ZINC001493858939 919632121 /nfs/dbraw/zinc/63/21/21/919632121.db2.gz KLQJKCDPCCHPEA-NXEZZACHSA-N 1 1 286.332 -0.646 20 5 CBBDMO CC[NH+](CC)CC(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001498174441 920509900 /nfs/dbraw/zinc/50/99/00/920509900.db2.gz DALSTIIEJSOMKN-GHMZBOCLSA-N 1 1 298.343 -0.680 20 5 CBBDMO C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC001544139075 923298873 /nfs/dbraw/zinc/29/88/73/923298873.db2.gz JHNYCYIFKPTNEV-SCZZXKLOSA-N 1 1 296.331 -0.318 20 5 CBBDMO CN(CC[N@@H+](C)CCO)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC001557695413 924130973 /nfs/dbraw/zinc/13/09/73/924130973.db2.gz SWRUHCPIWBSOAS-UHFFFAOYSA-N 1 1 271.277 -0.686 20 5 CBBDMO O=C(NC12CC[NH+](CC1)C2)c1c[nH]nc1[N+](=O)[O-] ZINC001557917429 924140728 /nfs/dbraw/zinc/14/07/28/924140728.db2.gz ZIXVOSSFMDXPKZ-UHFFFAOYSA-N 1 1 251.246 -0.104 20 5 CBBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC([NH2+]C2COC2)C1 ZINC001558611448 924186461 /nfs/dbraw/zinc/18/64/61/924186461.db2.gz WIXIEHYRUWMUOO-UHFFFAOYSA-N 1 1 292.295 -0.010 20 5 CBBDMO CCNC(=O)C[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075642593 351669502 /nfs/dbraw/zinc/66/95/02/351669502.db2.gz ILWUCBVTSOWPLN-JTQLQIEISA-N 1 1 285.304 -0.780 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCOCC2)c1 ZINC000075675097 351670235 /nfs/dbraw/zinc/67/02/35/351670235.db2.gz UTHXONVXZYEHDT-LLVKDONJSA-N 1 1 270.289 -0.126 20 5 CBBDMO CN1CC[C@H]([N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O ZINC000075752620 351671070 /nfs/dbraw/zinc/67/10/70/351671070.db2.gz GCMHBXPWGNENKT-QWRGUYRKSA-N 1 1 297.315 -0.685 20 5 CBBDMO NC(=O)[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090512373 351740778 /nfs/dbraw/zinc/74/07/78/351740778.db2.gz QAEODKDVMRYNRV-JTQLQIEISA-N 1 1 280.284 -0.294 20 5 CBBDMO NC(=O)[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090512373 351740782 /nfs/dbraw/zinc/74/07/82/351740782.db2.gz QAEODKDVMRYNRV-JTQLQIEISA-N 1 1 280.284 -0.294 20 5 CBBDMO COCC[N@@H+](CCO)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090525270 351741264 /nfs/dbraw/zinc/74/12/64/351741264.db2.gz IKDDYOSCTAFGJU-UHFFFAOYSA-N 1 1 285.300 -0.303 20 5 CBBDMO C[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H]1C[N@H+](C)CCO1 ZINC000119053776 351831088 /nfs/dbraw/zinc/83/10/88/351831088.db2.gz HVGQNISZXNUILD-UWVGGRQHSA-N 1 1 297.315 -0.373 20 5 CBBDMO C[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H]1C[N@@H+](C)CCO1 ZINC000119053776 351831092 /nfs/dbraw/zinc/83/10/92/351831092.db2.gz HVGQNISZXNUILD-UWVGGRQHSA-N 1 1 297.315 -0.373 20 5 CBBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000129221639 351869942 /nfs/dbraw/zinc/86/99/42/351869942.db2.gz TZHOLYBXLHOETC-VIFPVBQESA-N 1 1 297.315 -0.153 20 5 CBBDMO NC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[NH2+]1 ZINC000140020366 351924230 /nfs/dbraw/zinc/92/42/30/351924230.db2.gz WGMICMDCLGDYEV-QMMMGPOBSA-N 1 1 251.246 -0.747 20 5 CBBDMO C[C@@H]1C[NH+](C[C@H](O)Cn2cnc([N+](=O)[O-])n2)C[C@@H](C)O1 ZINC000152448649 351938497 /nfs/dbraw/zinc/93/84/97/351938497.db2.gz MBYDSYOLJDXSKZ-BBBLOLIVSA-N 1 1 285.304 -0.344 20 5 CBBDMO CC(C)(C)[N@H+](CC(N)=O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000131147529 351883537 /nfs/dbraw/zinc/88/35/37/351883537.db2.gz FSTVDSIGOJNMFS-SNVBAGLBSA-N 1 1 299.331 -0.262 20 5 CBBDMO CNC(=O)CCC[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000155337322 351950013 /nfs/dbraw/zinc/95/00/13/351950013.db2.gz CJNOIQVWKTUQSC-LLVKDONJSA-N 1 1 299.331 -0.390 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC[C@@H]2CO)c1 ZINC000159733988 351965347 /nfs/dbraw/zinc/96/53/47/351965347.db2.gz HLLCNTBHELPHFV-ZYHUDNBSSA-N 1 1 284.316 -0.001 20 5 CBBDMO COCC[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)N(C)C ZINC000176245417 352063686 /nfs/dbraw/zinc/06/36/86/352063686.db2.gz GZIVZIBCCMHWSA-UHFFFAOYSA-N 1 1 299.331 -0.172 20 5 CBBDMO COCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)N(C)C ZINC000176245417 352063687 /nfs/dbraw/zinc/06/36/87/352063687.db2.gz GZIVZIBCCMHWSA-UHFFFAOYSA-N 1 1 299.331 -0.172 20 5 CBBDMO C[C@@H](O)C[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173799703 352041238 /nfs/dbraw/zinc/04/12/38/352041238.db2.gz NTJYTNGCEUJWMW-SCZZXKLOSA-N 1 1 258.278 -0.535 20 5 CBBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@@H](O)C[C@@H]2CO)n1 ZINC000185175842 352116693 /nfs/dbraw/zinc/11/66/93/352116693.db2.gz LJWMXKDUIBZBJP-BDAKNGLRSA-N 1 1 256.262 -0.781 20 5 CBBDMO C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1CCO ZINC000188785486 352159520 /nfs/dbraw/zinc/15/95/20/352159520.db2.gz SQJXXIHOJLTDMY-JTQLQIEISA-N 1 1 297.315 -0.684 20 5 CBBDMO C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1CCO ZINC000188785486 352159522 /nfs/dbraw/zinc/15/95/22/352159522.db2.gz SQJXXIHOJLTDMY-JTQLQIEISA-N 1 1 297.315 -0.684 20 5 CBBDMO CNC(=O)[C@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247226932 352345179 /nfs/dbraw/zinc/34/51/79/352345179.db2.gz CZVQRAWAACHZFR-GHMZBOCLSA-N 1 1 297.315 -0.637 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC[C@H]2CO)c1 ZINC000247450789 352346715 /nfs/dbraw/zinc/34/67/15/352346715.db2.gz HLLCNTBHELPHFV-CMPLNLGQSA-N 1 1 284.316 -0.001 20 5 CBBDMO CC1(C)C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000279690727 352585255 /nfs/dbraw/zinc/58/52/55/352585255.db2.gz GBSAQVXVZXYOPY-MNOVXSKESA-N 1 1 284.316 -0.145 20 5 CBBDMO CC1(C)C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1O ZINC000279690731 352585699 /nfs/dbraw/zinc/58/56/99/352585699.db2.gz GBSAQVXVZXYOPY-WDEREUQCSA-N 1 1 284.316 -0.145 20 5 CBBDMO COC[C@@H]1CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000293516157 352693744 /nfs/dbraw/zinc/69/37/44/352693744.db2.gz IJIWMWSMMXDVDX-GXSJLCMTSA-N 1 1 270.289 -0.127 20 5 CBBDMO Cc1cc([N+](=O)[O-])cn(CC(=O)N2CC[NH+](C)CC2)c1=O ZINC000330526562 352839789 /nfs/dbraw/zinc/83/97/89/352839789.db2.gz QOMJKOYBPODKEG-UHFFFAOYSA-N 1 1 294.311 -0.161 20 5 CBBDMO C[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@@H+]1CCO ZINC000331139426 352882988 /nfs/dbraw/zinc/88/29/88/352882988.db2.gz GHJAVJBGWDBBFD-JTQLQIEISA-N 1 1 297.315 -0.684 20 5 CBBDMO C[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@H+]1CCO ZINC000331139426 352882991 /nfs/dbraw/zinc/88/29/91/352882991.db2.gz GHJAVJBGWDBBFD-JTQLQIEISA-N 1 1 297.315 -0.684 20 5 CBBDMO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCNC1=O ZINC000340221252 353158190 /nfs/dbraw/zinc/15/81/90/353158190.db2.gz OSCIOUPANUAXSI-SECBINFHSA-N 1 1 253.262 -0.388 20 5 CBBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCNC1=O ZINC000340221252 353158195 /nfs/dbraw/zinc/15/81/95/353158195.db2.gz OSCIOUPANUAXSI-SECBINFHSA-N 1 1 253.262 -0.388 20 5 CBBDMO CC[NH+]1CCN(C(=O)CNc2ccncc2[N+](=O)[O-])CC1 ZINC000340152436 353153558 /nfs/dbraw/zinc/15/35/58/353153558.db2.gz MIAJAKUKRLPYRU-UHFFFAOYSA-N 1 1 293.327 -0.012 20 5 CBBDMO C[C@@H]1C[C@H](O)C[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000340973315 353195685 /nfs/dbraw/zinc/19/56/85/353195685.db2.gz PKHWYFCBFFOZFG-MIMYLULJSA-N 1 1 270.289 -0.393 20 5 CBBDMO Cc1ccn(CC(=O)N2CC[NH+](C)CC2)c(=O)c1[N+](=O)[O-] ZINC000340695231 353182586 /nfs/dbraw/zinc/18/25/86/353182586.db2.gz KFQLPOVJVWYYJV-UHFFFAOYSA-N 1 1 294.311 -0.161 20 5 CBBDMO C[C@H]1[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CCC[N@H+]1C ZINC000343565594 353278972 /nfs/dbraw/zinc/27/89/72/353278972.db2.gz RUSZWJHHLGXTAD-IUCAKERBSA-N 1 1 282.304 -0.215 20 5 CBBDMO C[N@@H+](CCCCO)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000349919198 353467737 /nfs/dbraw/zinc/46/77/37/353467737.db2.gz GUVWPXDJCAQPCO-NSHDSACASA-N 1 1 272.305 -0.144 20 5 CBBDMO C[N@H+]1CC[C@@H](Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)C1 ZINC000352910510 353510620 /nfs/dbraw/zinc/51/06/20/353510620.db2.gz DQGNKGVCJVSUSQ-MRVPVSSYSA-N 1 1 280.284 -0.193 20 5 CBBDMO CN1CC[C@@H]([N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O ZINC000352657296 353499114 /nfs/dbraw/zinc/49/91/14/353499114.db2.gz GCMHBXPWGNENKT-GHMZBOCLSA-N 1 1 297.315 -0.685 20 5 CBBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000358080971 353625455 /nfs/dbraw/zinc/62/54/55/353625455.db2.gz QSKLAPISBDDRLF-LBPRGKRZSA-N 1 1 295.299 -0.632 20 5 CBBDMO C[N@H+]1CC[C@@](O)(CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000358043415 353620837 /nfs/dbraw/zinc/62/08/37/353620837.db2.gz HOEPZCGMFVLZGN-GFCCVEGCSA-N 1 1 297.315 -0.636 20 5 CBBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)[C@H]2C1 ZINC000408145356 353858313 /nfs/dbraw/zinc/85/83/13/353858313.db2.gz RSWQYSBIWCNDFB-UWVGGRQHSA-N 1 1 294.315 -0.261 20 5 CBBDMO Cn1cnc([N+](=O)[O-])c1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000408199877 353870693 /nfs/dbraw/zinc/87/06/93/353870693.db2.gz XODBNBDGPYWNKY-SECBINFHSA-N 1 1 267.289 -0.151 20 5 CBBDMO Cn1cnc([N+](=O)[O-])c1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000408199877 353870695 /nfs/dbraw/zinc/87/06/95/353870695.db2.gz XODBNBDGPYWNKY-SECBINFHSA-N 1 1 267.289 -0.151 20 5 CBBDMO C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](C)C[N@H+]1C ZINC000408071588 353844301 /nfs/dbraw/zinc/84/43/01/353844301.db2.gz OBBLRIXXDNAFCG-BDAKNGLRSA-N 1 1 282.304 -0.263 20 5 CBBDMO C[C@H]1C[N@H+](C)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000408111962 353851850 /nfs/dbraw/zinc/85/18/50/353851850.db2.gz GRKCNYRNRMDJBR-QMMMGPOBSA-N 1 1 268.277 -0.651 20 5 CBBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000408111962 353851851 /nfs/dbraw/zinc/85/18/51/353851851.db2.gz GRKCNYRNRMDJBR-QMMMGPOBSA-N 1 1 268.277 -0.651 20 5 CBBDMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)c1cc([N+](=O)[O-])n[nH]1 ZINC000452379170 354349691 /nfs/dbraw/zinc/34/96/91/354349691.db2.gz QLXMYGSZEMQJRY-SECBINFHSA-N 1 1 297.315 -0.106 20 5 CBBDMO C[C@@]1(CO)CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000546103497 354651269 /nfs/dbraw/zinc/65/12/69/354651269.db2.gz CQLVOSLTFGABDJ-NEPJUHHUSA-N 1 1 284.316 -0.001 20 5 CBBDMO C[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000578892406 354957571 /nfs/dbraw/zinc/95/75/71/354957571.db2.gz UPYRSMZLBWGHGI-MRVPVSSYSA-N 1 1 286.313 -0.028 20 5 CBBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000590044108 355073575 /nfs/dbraw/zinc/07/35/75/355073575.db2.gz GYCRAVMTCBZOMU-ONGXEEELSA-N 1 1 279.300 -0.046 20 5 CBBDMO O=C(N[C@H](CO)C[NH+]1CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000590371623 355076290 /nfs/dbraw/zinc/07/62/90/355076290.db2.gz PANIQSLVQVPHBE-QMMMGPOBSA-N 1 1 283.288 -0.496 20 5 CBBDMO CC1(C)CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@@H+]1CCO ZINC000586810071 355053617 /nfs/dbraw/zinc/05/36/17/355053617.db2.gz NCQISIHKANZTJY-UHFFFAOYSA-N 1 1 297.315 -0.153 20 5 CBBDMO CC1(C)CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@H+]1CCO ZINC000586810071 355053619 /nfs/dbraw/zinc/05/36/19/355053619.db2.gz NCQISIHKANZTJY-UHFFFAOYSA-N 1 1 297.315 -0.153 20 5 CBBDMO Cc1[nH]nc(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000592308916 355147313 /nfs/dbraw/zinc/14/73/13/355147313.db2.gz PBTBEQLXPPPXTA-HTRCEHHLSA-N 1 1 283.288 -0.185 20 5 CBBDMO C[C@@H](CCO)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000593107857 355195273 /nfs/dbraw/zinc/19/52/73/355195273.db2.gz PFUUHQFJONCYSC-GXSJLCMTSA-N 1 1 272.305 -0.145 20 5 CBBDMO C[C@@H](CCO)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000593107868 355195313 /nfs/dbraw/zinc/19/53/13/355195313.db2.gz PFUUHQFJONCYSC-ONGXEEELSA-N 1 1 272.305 -0.145 20 5 CBBDMO Cn1c(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000593853846 355223165 /nfs/dbraw/zinc/22/31/65/355223165.db2.gz GFEQYQVLMGOMKG-SNVBAGLBSA-N 1 1 294.311 -0.176 20 5 CBBDMO Cn1c(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000593853846 355223168 /nfs/dbraw/zinc/22/31/68/355223168.db2.gz GFEQYQVLMGOMKG-SNVBAGLBSA-N 1 1 294.311 -0.176 20 5 CBBDMO C[C@@H](O)C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000594064170 355236108 /nfs/dbraw/zinc/23/61/08/355236108.db2.gz KZRRLDACWPUBBA-SKDRFNHKSA-N 1 1 284.316 -0.003 20 5 CBBDMO CN1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)CCC1=O ZINC000595773531 355306706 /nfs/dbraw/zinc/30/67/06/355306706.db2.gz OUTSQSOHRQGNNM-UHFFFAOYSA-N 1 1 267.289 -0.045 20 5 CBBDMO CN1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCC1=O ZINC000595773531 355306708 /nfs/dbraw/zinc/30/67/08/355306708.db2.gz OUTSQSOHRQGNNM-UHFFFAOYSA-N 1 1 267.289 -0.045 20 5 CBBDMO NC(=O)c1cc([N+](=O)[O-])cnc1NCC[N@H+]1CC[C@H](O)C1 ZINC000599199636 355472593 /nfs/dbraw/zinc/47/25/93/355472593.db2.gz NYZVMFKMLQGRHE-VIFPVBQESA-N 1 1 295.299 -0.433 20 5 CBBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000600535706 355557138 /nfs/dbraw/zinc/55/71/38/355557138.db2.gz RFGRBSQGWFZEQY-SNVBAGLBSA-N 1 1 297.315 -0.717 20 5 CBBDMO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000599940244 355519621 /nfs/dbraw/zinc/51/96/21/355519621.db2.gz NDZACYUSOMZZIC-DTWKUNHWSA-N 1 1 295.299 -0.401 20 5 CBBDMO Nc1c(C(=O)NCC[N@H+]2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000600807396 355567112 /nfs/dbraw/zinc/56/71/12/355567112.db2.gz BTZZFLKRGYHYIH-VIFPVBQESA-N 1 1 294.311 -0.027 20 5 CBBDMO CO[C@@H]1COC[C@@H]1[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602841843 355674056 /nfs/dbraw/zinc/67/40/56/355674056.db2.gz WBOYVEAVIFRZJX-DTWKUNHWSA-N 1 1 256.262 -0.168 20 5 CBBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000609383433 355768535 /nfs/dbraw/zinc/76/85/35/355768535.db2.gz NUZZCWVONIEGAL-JTQLQIEISA-N 1 1 294.315 -0.213 20 5 CBBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)CO ZINC000610369761 355777757 /nfs/dbraw/zinc/77/77/57/355777757.db2.gz UNSFKTMFVVZCOC-JTQLQIEISA-N 1 1 272.305 -0.145 20 5 CBBDMO CC[N@H+](CC(=O)N(C)C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610367555 355777797 /nfs/dbraw/zinc/77/77/97/355777797.db2.gz XTZDWGPYJNRLSP-LLVKDONJSA-N 1 1 299.331 -0.438 20 5 CBBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@H](O)C[C@H](O)C2)n1 ZINC000610604424 355782791 /nfs/dbraw/zinc/78/27/91/355782791.db2.gz RLUAPTROHORSMJ-DTORHVGOSA-N 1 1 256.262 -0.781 20 5 CBBDMO NC(=O)c1ccc(C[N@H+]2C[C@H](O)C[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000610614585 355783258 /nfs/dbraw/zinc/78/32/58/355783258.db2.gz ALYONJRXOBDKHC-PHIMTYICSA-N 1 1 295.295 -0.379 20 5 CBBDMO NC(=O)c1ccc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000610614585 355783262 /nfs/dbraw/zinc/78/32/62/355783262.db2.gz ALYONJRXOBDKHC-PHIMTYICSA-N 1 1 295.295 -0.379 20 5 CBBDMO C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1C[N@H+](C)CCO1 ZINC000610907211 355790079 /nfs/dbraw/zinc/79/00/79/355790079.db2.gz FPWHMRMGTLITMF-KOLCDFICSA-N 1 1 297.315 -0.373 20 5 CBBDMO C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1C[N@@H+](C)CCO1 ZINC000610907211 355790081 /nfs/dbraw/zinc/79/00/81/355790081.db2.gz FPWHMRMGTLITMF-KOLCDFICSA-N 1 1 297.315 -0.373 20 5 CBBDMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000294780151 199179234 /nfs/dbraw/zinc/17/92/34/199179234.db2.gz YZUVVTPGFMXRGO-PSASIEDQSA-N 1 1 297.315 -0.155 20 5 CBBDMO NC(=O)[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000269371632 283356380 /nfs/dbraw/zinc/35/63/80/283356380.db2.gz MLBUEQPXBWSFIE-SSDOTTSWSA-N 1 1 285.691 -0.093 20 5 CBBDMO NC(=O)c1ccc(N2CC[NH+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000015209333 283378589 /nfs/dbraw/zinc/37/85/89/283378589.db2.gz FTWLUCOBJPPEKU-UHFFFAOYSA-N 1 1 294.311 -0.192 20 5 CBBDMO NC(=O)c1cccc(N2CC[NH+](CCO)CC2)c1[N+](=O)[O-] ZINC000439133615 283385179 /nfs/dbraw/zinc/38/51/79/283385179.db2.gz METKWOIWFISBGG-UHFFFAOYSA-N 1 1 294.311 -0.192 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCc3n[nH]cc3C2)c1 ZINC000342382288 216333540 /nfs/dbraw/zinc/33/35/40/216333540.db2.gz BLGLEPNHUUZGCU-LLVKDONJSA-N 1 1 292.299 -0.066 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCc3n[nH]cc3C2)c1 ZINC000342382288 216333542 /nfs/dbraw/zinc/33/35/42/216333542.db2.gz BLGLEPNHUUZGCU-LLVKDONJSA-N 1 1 292.299 -0.066 20 5 CBBDMO CC[NH+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000330368628 202744980 /nfs/dbraw/zinc/74/49/80/202744980.db2.gz AEZLRYWTDVMJQH-UHFFFAOYSA-N 1 1 268.277 -0.650 20 5 CBBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000330695130 203125327 /nfs/dbraw/zinc/12/53/27/203125327.db2.gz IZXBIKWLRZYKNA-JTQLQIEISA-N 1 1 296.331 -0.847 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)c1 ZINC000344067569 217035379 /nfs/dbraw/zinc/03/53/79/217035379.db2.gz PVEHDEWHQRQEBL-ZBAXXZLZSA-N 1 1 296.327 -0.145 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)c1 ZINC000344067562 217035984 /nfs/dbraw/zinc/03/59/84/217035984.db2.gz PVEHDEWHQRQEBL-RYDUCSDGSA-N 1 1 296.327 -0.145 20 5 CBBDMO O=C(NCC1CC[NH+](CCO)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000344404660 217182710 /nfs/dbraw/zinc/18/27/10/217182710.db2.gz ZJUJHIIAEHXNCM-UHFFFAOYSA-N 1 1 297.315 -0.248 20 5 CBBDMO CN1CC[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)C1=O ZINC000266939009 372915176 /nfs/dbraw/zinc/91/51/76/372915176.db2.gz PIDXJVXYDMQWLE-JTQLQIEISA-N 1 1 267.289 -0.046 20 5 CBBDMO CN1CC[C@H]([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)C1=O ZINC000266939009 372915189 /nfs/dbraw/zinc/91/51/89/372915189.db2.gz PIDXJVXYDMQWLE-JTQLQIEISA-N 1 1 267.289 -0.046 20 5 CBBDMO CC[N@@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285948928 372949414 /nfs/dbraw/zinc/94/94/14/372949414.db2.gz CGDXQPCDTGKZAN-UHFFFAOYSA-N 1 1 271.277 -0.638 20 5 CBBDMO Cc1cnc(N2CC[NH2+][C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000361266445 373271076 /nfs/dbraw/zinc/27/10/76/373271076.db2.gz SZPJJEIASVLELM-MRVPVSSYSA-N 1 1 265.273 -0.438 20 5 CBBDMO CC1(C)[C@H](O)CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000361420761 373292431 /nfs/dbraw/zinc/29/24/31/373292431.db2.gz PIZKTBPPTNTXPI-WDEREUQCSA-N 1 1 284.316 -0.003 20 5 CBBDMO C[C@@]1(C(N)=O)CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000361558172 373309102 /nfs/dbraw/zinc/30/91/02/373309102.db2.gz VAXNRHASEZXPSG-CMPLNLGQSA-N 1 1 297.315 -0.651 20 5 CBBDMO CO[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000361371678 373285632 /nfs/dbraw/zinc/28/56/32/373285632.db2.gz IKCQFSKWNDMRBJ-WDEREUQCSA-N 1 1 270.289 -0.127 20 5 CBBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1[nH]ncc1[N+](=O)[O-] ZINC000362397046 373402729 /nfs/dbraw/zinc/40/27/29/373402729.db2.gz QMNPXVZYWKVKIO-RKDXNWHRSA-N 1 1 295.299 -0.089 20 5 CBBDMO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1n[nH]cc1[N+](=O)[O-] ZINC000362397046 373402735 /nfs/dbraw/zinc/40/27/35/373402735.db2.gz QMNPXVZYWKVKIO-RKDXNWHRSA-N 1 1 295.299 -0.089 20 5 CBBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1n[nH]cc1[N+](=O)[O-] ZINC000362397046 373402747 /nfs/dbraw/zinc/40/27/47/373402747.db2.gz QMNPXVZYWKVKIO-RKDXNWHRSA-N 1 1 295.299 -0.089 20 5 CBBDMO C[C@H]1C[NH2+]CCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000574572446 335030583 /nfs/dbraw/zinc/03/05/83/335030583.db2.gz UPYRSMZLBWGHGI-QMMMGPOBSA-N 1 1 286.313 -0.028 20 5 CBBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000356413960 248244105 /nfs/dbraw/zinc/24/41/05/248244105.db2.gz BKHWHBVILHDMTR-NXEZZACHSA-N 1 1 296.331 -0.015 20 5 CBBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000356870079 248295489 /nfs/dbraw/zinc/29/54/89/248295489.db2.gz CXQPOMRPSYSSIA-DTWKUNHWSA-N 1 1 282.304 -0.263 20 5 CBBDMO O=C(Cn1cc([N+](=O)[O-])cn1)NCC[NH+]1CCSCC1 ZINC000264786852 190134450 /nfs/dbraw/zinc/13/44/50/190134450.db2.gz JSNWKJVMAJZTQI-UHFFFAOYSA-N 1 1 299.356 -0.044 20 5 CBBDMO CC[N@@H+](C)CCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000264947884 190147008 /nfs/dbraw/zinc/14/70/08/190147008.db2.gz XNCJHVSWZNUOSE-UHFFFAOYSA-N 1 1 255.278 -0.141 20 5 CBBDMO C[N@H+]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000265293845 190172962 /nfs/dbraw/zinc/17/29/62/190172962.db2.gz OPKVIWISEHHHFE-UHFFFAOYSA-N 1 1 294.311 -0.079 20 5 CBBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000353698287 220264600 /nfs/dbraw/zinc/26/46/00/220264600.db2.gz VMWAGFFKXXMCHC-UHFFFAOYSA-N 1 1 297.315 -0.220 20 5 CBBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCCOCC1 ZINC000353698287 220264603 /nfs/dbraw/zinc/26/46/03/220264603.db2.gz VMWAGFFKXXMCHC-UHFFFAOYSA-N 1 1 297.315 -0.220 20 5 CBBDMO C[C@@H](O)CC[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266512029 190262663 /nfs/dbraw/zinc/26/26/63/190262663.db2.gz BMQQXPAEODFRPC-MWLCHTKSSA-N 1 1 272.305 -0.145 20 5 CBBDMO CC[N@@H+](CC(=O)OC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266552327 190266381 /nfs/dbraw/zinc/26/63/81/190266381.db2.gz UMCMCXIFANUBFM-SNVBAGLBSA-N 1 1 286.288 -0.353 20 5 CBBDMO CC[N@H+](CC(=O)OC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266552327 190266382 /nfs/dbraw/zinc/26/63/82/190266382.db2.gz UMCMCXIFANUBFM-SNVBAGLBSA-N 1 1 286.288 -0.353 20 5 CBBDMO CC[N@@H+](CCO)CCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000347791909 218357610 /nfs/dbraw/zinc/35/76/10/218357610.db2.gz JTXDVIILQUVDHS-UHFFFAOYSA-N 1 1 285.304 -0.778 20 5 CBBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@H]2C1 ZINC000279228723 194343216 /nfs/dbraw/zinc/34/32/16/194343216.db2.gz QSMVRLMTLKCGMV-OCAPTIKFSA-N 1 1 265.273 -0.049 20 5 CBBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH+](C)CC1 ZINC000068467433 207359268 /nfs/dbraw/zinc/35/92/68/207359268.db2.gz KRGPCCJTCMWCJG-UHFFFAOYSA-N 1 1 267.289 -0.126 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2CCO)c1 ZINC000426257373 208045443 /nfs/dbraw/zinc/04/54/43/208045443.db2.gz VPZJLVZWIISJRA-ZYHUDNBSSA-N 1 1 284.316 -0.001 20 5 CBBDMO C[C@@H](O)C[N@H+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)[C@H](C)C1 ZINC000275381096 135105858 /nfs/dbraw/zinc/10/58/58/135105858.db2.gz PDPGNIWGUVTANI-RKDXNWHRSA-N 1 1 296.331 -0.142 20 5 CBBDMO CC[N@@H+](C)CCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000194689772 419555296 /nfs/dbraw/zinc/55/52/96/419555296.db2.gz JHCXKIFAOGNQKO-UHFFFAOYSA-N 1 1 255.278 -0.141 20 5 CBBDMO Cc1[nH]nc(C(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2)c1[N+](=O)[O-] ZINC000359416993 419964280 /nfs/dbraw/zinc/96/42/80/419964280.db2.gz QXMHYJNZJGKUEB-HTQZYQBOSA-N 1 1 265.273 -0.082 20 5 CBBDMO Nc1nc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)ncc1[N+](=O)[O-] ZINC000363571470 420028747 /nfs/dbraw/zinc/02/87/47/420028747.db2.gz NXJCXCVIQKJLHY-BDAKNGLRSA-N 1 1 294.315 -0.336 20 5 CBBDMO Nc1nc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)ncc1[N+](=O)[O-] ZINC000363571472 420029934 /nfs/dbraw/zinc/02/99/34/420029934.db2.gz NXJCXCVIQKJLHY-IUCAKERBSA-N 1 1 294.315 -0.336 20 5 CBBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000364934173 420050995 /nfs/dbraw/zinc/05/09/95/420050995.db2.gz JTMDTBDFLXIOIN-GMTAPVOTSA-N 1 1 271.317 -0.433 20 5 CBBDMO C[C@H](CO)[N@@H+]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000364934173 420050998 /nfs/dbraw/zinc/05/09/98/420050998.db2.gz JTMDTBDFLXIOIN-GMTAPVOTSA-N 1 1 271.317 -0.433 20 5 CBBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000364934173 420051002 /nfs/dbraw/zinc/05/10/02/420051002.db2.gz JTMDTBDFLXIOIN-GMTAPVOTSA-N 1 1 271.317 -0.433 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000368010894 420121440 /nfs/dbraw/zinc/12/14/40/420121440.db2.gz VCHPBAUTGHPPSR-AXFHLTTASA-N 1 1 268.317 -0.842 20 5 CBBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000368010236 420121701 /nfs/dbraw/zinc/12/17/01/420121701.db2.gz REEKYWRZNDQJBY-MRVPVSSYSA-N 1 1 289.242 -0.143 20 5 CBBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCN3CCOC[C@H]3C2)c1 ZINC000368329345 420129083 /nfs/dbraw/zinc/12/90/83/420129083.db2.gz SJXBLWNFXBCRLH-GFCCVEGCSA-N 1 1 281.316 -0.192 20 5 CBBDMO Nc1nc(N2CC[N@@H+]3CCOC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000369408994 420158636 /nfs/dbraw/zinc/15/86/36/420158636.db2.gz OKBAHWKZZQTZOQ-QMMMGPOBSA-N 1 1 280.288 -0.512 20 5 CBBDMO Nc1nc(N2CC[N@H+]3CCOC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000369408994 420158639 /nfs/dbraw/zinc/15/86/39/420158639.db2.gz OKBAHWKZZQTZOQ-QMMMGPOBSA-N 1 1 280.288 -0.512 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](N2CCOCC2)C1 ZINC000369686235 420163195 /nfs/dbraw/zinc/16/31/95/420163195.db2.gz HVOHYMXGZSGCPM-HBNTYKKESA-N 1 1 269.301 -0.415 20 5 CBBDMO Nc1nc(NC[C@@H]2CCC[N@H+]2CCCO)ncc1[N+](=O)[O-] ZINC000450600280 420299030 /nfs/dbraw/zinc/29/90/30/420299030.db2.gz VGTOFNJDQSSTFA-VIFPVBQESA-N 1 1 296.331 -0.352 20 5 CBBDMO O=C1NC[C@@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)CC[C@H]12 ZINC000377683065 230296104 /nfs/dbraw/zinc/29/61/04/230296104.db2.gz ZBURGBPWQXCGFE-ZJUUUORDSA-N 1 1 279.300 -0.141 20 5 CBBDMO COCC[N@@H+](C)CCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000590434144 420478418 /nfs/dbraw/zinc/47/84/18/420478418.db2.gz YAXCZYMJPLMYEZ-UHFFFAOYSA-N 1 1 297.315 -0.120 20 5 CBBDMO C[C@H]1CC(=O)NCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000371340391 278322440 /nfs/dbraw/zinc/32/24/40/278322440.db2.gz DUSUATDIVDORCW-JTQLQIEISA-N 1 1 294.311 -0.033 20 5 CBBDMO C[C@H]1CC(=O)NCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000371340391 278322442 /nfs/dbraw/zinc/32/24/42/278322442.db2.gz DUSUATDIVDORCW-JTQLQIEISA-N 1 1 294.311 -0.033 20 5 CBBDMO Cc1ccc([N+](=O)[O-])c(N2CC[NH2+][C@@H](C(N)=O)C2)n1 ZINC000269065766 281012983 /nfs/dbraw/zinc/01/29/83/281012983.db2.gz YUBCCFPPUIGIDE-MRVPVSSYSA-N 1 1 265.273 -0.438 20 5 CBBDMO C[N@H+](C[C@@H](O)CNCCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000577503495 335361063 /nfs/dbraw/zinc/36/10/63/335361063.db2.gz QXPQQTYGZHMOQT-LBPRGKRZSA-N 1 1 283.332 -0.164 20 5 CBBDMO C[N@@H+](C[C@@H](O)CNCCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000577503495 335361064 /nfs/dbraw/zinc/36/10/64/335361064.db2.gz QXPQQTYGZHMOQT-LBPRGKRZSA-N 1 1 283.332 -0.164 20 5 CBBDMO COCC[N@@H+](C)C[C@@H](O)Cn1cnc([N+](=O)[O-])c1 ZINC000385886665 336159480 /nfs/dbraw/zinc/15/94/80/336159480.db2.gz CQAROWDRSNTAAA-SECBINFHSA-N 1 1 258.278 -0.270 20 5 CBBDMO CC(C)C1(O)C[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000773895348 582348637 /nfs/dbraw/zinc/34/86/37/582348637.db2.gz IFNCZYIZZOBFSI-NSHDSACASA-N 1 1 284.316 -0.145 20 5 CBBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000787269344 582381023 /nfs/dbraw/zinc/38/10/23/582381023.db2.gz DDKPINPMXOSMAC-ZDUSSCGKSA-N 1 1 294.311 -0.027 20 5 CBBDMO NC(=O)[C@]1(O)CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000788473219 582386205 /nfs/dbraw/zinc/38/62/05/582386205.db2.gz IDTPJSZXMPDCNK-YPMHNXCESA-N 1 1 295.295 -0.450 20 5 CBBDMO C[N@H+]1CC[C@H]2CN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC[C@@H]21 ZINC000827335848 582811903 /nfs/dbraw/zinc/81/19/03/582811903.db2.gz AIOHPNCDYFGRFH-UWVGGRQHSA-N 1 1 294.315 -0.261 20 5 CBBDMO CN1CC[NH+](C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000827435647 582816526 /nfs/dbraw/zinc/81/65/26/582816526.db2.gz QSNTWZOABZPIRF-CHWSQXEVSA-N 1 1 296.371 -0.110 20 5 CBBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839772266 583159653 /nfs/dbraw/zinc/15/96/53/583159653.db2.gz AZKXOHCCSGVCLH-VXGBXAGGSA-N 1 1 286.376 -0.007 20 5 CBBDMO O=C(OCCC[NH+]1CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840670245 583166299 /nfs/dbraw/zinc/16/62/99/583166299.db2.gz DRAXYNCEDWMROM-NXEZZACHSA-N 1 1 258.274 -0.083 20 5 CBBDMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000840672348 583166322 /nfs/dbraw/zinc/16/63/22/583166322.db2.gz JOVYLRLGJJTDNM-GMTAPVOTSA-N 1 1 299.327 -0.253 20 5 CBBDMO CC(C)(CCc1noc(CN2CC[NH2+]CC2=O)n1)[N+](=O)[O-] ZINC000843233397 583204316 /nfs/dbraw/zinc/20/43/16/583204316.db2.gz IYNUHWNHDROTGV-UHFFFAOYSA-N 1 1 297.315 -0.011 20 5 CBBDMO NC(=O)[C@]1([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000847052747 583397484 /nfs/dbraw/zinc/39/74/84/583397484.db2.gz GHNBIEDINLSPDI-AAEUAGOBSA-N 1 1 295.295 -0.138 20 5 CBBDMO CCn1ncc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000863564591 583847015 /nfs/dbraw/zinc/84/70/15/583847015.db2.gz XCIMNNRYYZXZBL-LLVKDONJSA-N 1 1 295.303 -0.447 20 5 CBBDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000869776529 584003545 /nfs/dbraw/zinc/00/35/45/584003545.db2.gz LTZKPMAZBHFNKD-IVZWLZJFSA-N 1 1 271.317 -0.387 20 5 CBBDMO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000869776529 584003546 /nfs/dbraw/zinc/00/35/46/584003546.db2.gz LTZKPMAZBHFNKD-IVZWLZJFSA-N 1 1 271.317 -0.387 20 5 CBBDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000869776529 584003547 /nfs/dbraw/zinc/00/35/47/584003547.db2.gz LTZKPMAZBHFNKD-IVZWLZJFSA-N 1 1 271.317 -0.387 20 5 CBBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889750678 584535472 /nfs/dbraw/zinc/53/54/72/584535472.db2.gz QFKCHYBJFAZLGE-DDHJBXDOSA-N 1 1 283.328 -0.291 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889750678 584535473 /nfs/dbraw/zinc/53/54/73/584535473.db2.gz QFKCHYBJFAZLGE-DDHJBXDOSA-N 1 1 283.328 -0.291 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889750678 584535474 /nfs/dbraw/zinc/53/54/74/584535474.db2.gz QFKCHYBJFAZLGE-DDHJBXDOSA-N 1 1 283.328 -0.291 20 5 CBBDMO C[N@@H+](CCO)CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000899738569 584778721 /nfs/dbraw/zinc/77/87/21/584778721.db2.gz HBLGTCMRFKWWSE-UHFFFAOYSA-N 1 1 261.322 -0.138 20 5 CBBDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000931337325 659437754 /nfs/dbraw/zinc/43/77/54/659437754.db2.gz FEXDWIAPVLAVHO-SECBINFHSA-N 1 1 265.335 -0.476 20 5 CBBDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000931337325 659437772 /nfs/dbraw/zinc/43/77/72/659437772.db2.gz FEXDWIAPVLAVHO-SECBINFHSA-N 1 1 265.335 -0.476 20 5 CBBDMO Cn1cnc([N+](=O)[O-])c1NC1CC[NH+](CC(N)=O)CC1 ZINC000060286185 656030464 /nfs/dbraw/zinc/03/04/64/656030464.db2.gz QHGMSKZNAYZERH-UHFFFAOYSA-N 1 1 282.304 -0.310 20 5 CBBDMO O=C(NCC1=CC[N@@H+](CCO)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000673609 656757744 /nfs/dbraw/zinc/75/77/44/656757744.db2.gz HMKZZXFTFMDEQW-GHMZBOCLSA-N 1 1 269.301 -0.608 20 5 CBBDMO O=C(NCC1=CC[N@H+](CCO)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000673609 656757747 /nfs/dbraw/zinc/75/77/47/656757747.db2.gz HMKZZXFTFMDEQW-GHMZBOCLSA-N 1 1 269.301 -0.608 20 5 CBBDMO O=C(NCC1=CC[N@@H+](CCO)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000673609 656757750 /nfs/dbraw/zinc/75/77/50/656757750.db2.gz HMKZZXFTFMDEQW-GHMZBOCLSA-N 1 1 269.301 -0.608 20 5 CBBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC[NH+](CCCO)CC1 ZINC001005380066 656899749 /nfs/dbraw/zinc/89/97/49/656899749.db2.gz BDVOEFOVPFJDKF-VXGBXAGGSA-N 1 1 285.344 -0.043 20 5 CBBDMO CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC[NH2+]CC1 ZINC000923279102 658188942 /nfs/dbraw/zinc/18/89/42/658188942.db2.gz FAKUYJBHVYMTKU-GFCCVEGCSA-N 1 1 283.332 -0.164 20 5 CBBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000923298108 658199913 /nfs/dbraw/zinc/19/99/13/658199913.db2.gz LYCMNDVLACXNCX-VHSXEESVSA-N 1 1 294.315 -0.119 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923515455 658311793 /nfs/dbraw/zinc/31/17/93/658311793.db2.gz GZXMORMLAOZIDT-LOWVWBTDSA-N 1 1 295.343 -0.307 20 5 CBBDMO NC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000963791815 658867693 /nfs/dbraw/zinc/86/76/93/658867693.db2.gz QUBNYNKGIYQYAC-WILAIQFWSA-N 1 1 296.327 -0.846 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@@H+](CCCO)CC1 ZINC000981138123 659309715 /nfs/dbraw/zinc/30/97/15/659309715.db2.gz LCNSPPVERUNYIM-GHMZBOCLSA-N 1 1 271.317 -0.432 20 5 CBBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](CCCO)CC1 ZINC000981138123 659309709 /nfs/dbraw/zinc/30/97/09/659309709.db2.gz LCNSPPVERUNYIM-GHMZBOCLSA-N 1 1 271.317 -0.432 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@H+](CCCO)CC1 ZINC000981138123 659309717 /nfs/dbraw/zinc/30/97/17/659309717.db2.gz LCNSPPVERUNYIM-GHMZBOCLSA-N 1 1 271.317 -0.432 20 5 CBBDMO Cn1cc(CN2CC[N@H+](C)[C@H](CO)C2)c([N+](=O)[O-])n1 ZINC000931398212 659448510 /nfs/dbraw/zinc/44/85/10/659448510.db2.gz JABUVEDSQWPBQT-JTQLQIEISA-N 1 1 269.305 -0.563 20 5 CBBDMO Cn1cc(CN2CC[N@@H+](C)[C@H](CO)C2)c([N+](=O)[O-])n1 ZINC000931398212 659448515 /nfs/dbraw/zinc/44/85/15/659448515.db2.gz JABUVEDSQWPBQT-JTQLQIEISA-N 1 1 269.305 -0.563 20 5 CBBDMO Cn1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC[N+](=O)[O-])cn1 ZINC000931426128 659457939 /nfs/dbraw/zinc/45/79/39/659457939.db2.gz KWYLQZOVHNSOKW-LLVKDONJSA-N 1 1 281.316 -0.109 20 5 CBBDMO Cn1cc(C(=O)NC[C@H]2CCC[N@H+]2CC[N+](=O)[O-])cn1 ZINC000931426128 659457943 /nfs/dbraw/zinc/45/79/43/659457943.db2.gz KWYLQZOVHNSOKW-LLVKDONJSA-N 1 1 281.316 -0.109 20 5 CBBDMO Cn1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001022063577 790987497 /nfs/dbraw/zinc/98/74/97/790987497.db2.gz DRVKBLDHJLXFBM-WRWGMCAJSA-N 1 1 293.327 -0.178 20 5 CBBDMO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775317 798974837 /nfs/dbraw/zinc/97/48/37/798974837.db2.gz OSWCFDBAWWXFDQ-NZFPMDFQSA-N 1 1 269.301 -0.656 20 5 CBBDMO COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001025775317 798974840 /nfs/dbraw/zinc/97/48/40/798974840.db2.gz OSWCFDBAWWXFDQ-NZFPMDFQSA-N 1 1 269.301 -0.656 20 5 CBBDMO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001025775317 798974846 /nfs/dbraw/zinc/97/48/46/798974846.db2.gz OSWCFDBAWWXFDQ-NZFPMDFQSA-N 1 1 269.301 -0.656 20 5 CBBDMO COCCO[C@H]1C[C@H](CO)C[N@H+](CC[N+](=O)[O-])C1 ZINC001119855043 812896981 /nfs/dbraw/zinc/89/69/81/812896981.db2.gz LYELNJURTPXHHN-QWRGUYRKSA-N 1 1 262.306 -0.391 20 5 CBBDMO COCCO[C@H]1C[C@H](CO)C[N@@H+](CC[N+](=O)[O-])C1 ZINC001119855043 812896989 /nfs/dbraw/zinc/89/69/89/812896989.db2.gz LYELNJURTPXHHN-QWRGUYRKSA-N 1 1 262.306 -0.391 20 5 CBBDMO NC(=O)C[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001323419340 804025924 /nfs/dbraw/zinc/02/59/24/804025924.db2.gz PELVHHJSYUFTEA-GXSJLCMTSA-N 1 1 297.315 -0.651 20 5 CBBDMO NC(=O)C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC001323484497 804032899 /nfs/dbraw/zinc/03/28/99/804032899.db2.gz WVVKSTYULYNABC-SECBINFHSA-N 1 1 267.289 -0.011 20 5 CBBDMO O=C(NCC[NH+]1CC=CC1)c1c[nH]nc1[N+](=O)[O-] ZINC001325233798 804263904 /nfs/dbraw/zinc/26/39/04/804263904.db2.gz OBPDSRWPFTZSMI-UHFFFAOYSA-N 1 1 251.246 -0.081 20 5 CBBDMO C[NH+]1CCC(CCO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001153332893 815158409 /nfs/dbraw/zinc/15/84/09/815158409.db2.gz JGYNZDLGQFTUFG-NXEZZACHSA-N 1 1 271.317 -0.385 20 5 CBBDMO COc1ncnc(-n2cnc(C[NH3+])cc2=N)c1[N+](=O)[O-] ZINC001156624186 815370176 /nfs/dbraw/zinc/37/01/76/815370176.db2.gz LTUVWBBRZTUIKN-UHFFFAOYSA-N 1 1 277.244 -0.483 20 5 CBBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC([NH2+]C2COC2)C1 ZINC001157594691 815447134 /nfs/dbraw/zinc/44/71/34/815447134.db2.gz NWVOZEBYCYGUIU-UHFFFAOYSA-N 1 1 295.299 -0.619 20 5 CBBDMO CCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157767429 815462510 /nfs/dbraw/zinc/46/25/10/815462510.db2.gz MLNCARPPGCYWOH-NXEZZACHSA-N 1 1 286.332 -0.726 20 5 CBBDMO CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157761046 815463247 /nfs/dbraw/zinc/46/32/47/815463247.db2.gz LAHKHWJNJDGERY-NXEZZACHSA-N 1 1 286.332 -0.774 20 5 CBBDMO C[NH2+][C@@H](C)CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001118865909 812645911 /nfs/dbraw/zinc/64/59/11/812645911.db2.gz UKUFYBNRABJUKF-ZETCQYMHSA-N 1 1 291.333 -0.395 20 5 CBBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+]2C)n1 ZINC001120080013 812931076 /nfs/dbraw/zinc/93/10/76/812931076.db2.gz VGEKJQTYYJJNGU-ZETCQYMHSA-N 1 1 253.262 -0.238 20 5 CBBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+]2C)n1 ZINC001120080013 812931079 /nfs/dbraw/zinc/93/10/79/812931079.db2.gz VGEKJQTYYJJNGU-ZETCQYMHSA-N 1 1 253.262 -0.238 20 5 CBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)CC(C)(C)O ZINC001126477537 813651833 /nfs/dbraw/zinc/65/18/33/813651833.db2.gz QLDUEZPTTNJGCA-UHFFFAOYSA-N 1 1 299.331 -0.305 20 5 CBBDMO O=C(NCC[NH2+]Cc1ccccn1)[C@@H]1CC1[N+](=O)[O-] ZINC001126932370 813695439 /nfs/dbraw/zinc/69/54/39/813695439.db2.gz UWLJQNKCYZOSLN-GHMZBOCLSA-N 1 1 264.285 -0.047 20 5 CBBDMO CCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126936269 813697398 /nfs/dbraw/zinc/69/73/98/813697398.db2.gz DNGVQVVOYZOTRP-NXEZZACHSA-N 1 1 286.332 -0.726 20 5 CBBDMO O=C(NCC[NH2+]CC1CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001126938906 813697825 /nfs/dbraw/zinc/69/78/25/813697825.db2.gz MJYRBFXHJZROPG-GHMZBOCLSA-N 1 1 271.317 -0.216 20 5 CBBDMO O=C(NCC[NH2+]CCCN1CCCC1=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126949776 813699291 /nfs/dbraw/zinc/69/92/91/813699291.db2.gz ZIAHVQYYTTUQAJ-GHMZBOCLSA-N 1 1 298.343 -0.630 20 5 CBBDMO Cc1ncc([N+](=O)[O-])c(NCCN2CC[NH2+]CC2=O)n1 ZINC001161019063 815696903 /nfs/dbraw/zinc/69/69/03/815696903.db2.gz JNUYABGRLLUVTI-UHFFFAOYSA-N 1 1 280.288 -0.463 20 5 CBBDMO COc1nc(NCCN2CC[NH2+]CC2=O)ccc1[N+](=O)[O-] ZINC001161019647 815698652 /nfs/dbraw/zinc/69/86/52/815698652.db2.gz RLJXLHKVJSKEHI-UHFFFAOYSA-N 1 1 295.299 -0.158 20 5 CBBDMO Cn1cc([N+](=O)[O-])c(NCC(=O)N2CC[NH+](C)CC2)n1 ZINC001162244268 815808857 /nfs/dbraw/zinc/80/88/57/815808857.db2.gz IDLOJLIAJBNPPG-UHFFFAOYSA-N 1 1 282.304 -0.486 20 5 CBBDMO [NH3+][C@@H]1NCN(c2ncc([N+](=O)[O-])cc2Cl)[C@@H]2NCN[C@@H]21 ZINC001162435129 815815601 /nfs/dbraw/zinc/81/56/01/815815601.db2.gz BBDIUJFEBXGYTQ-MRTMQBJTSA-N 1 1 299.722 -0.860 20 5 CBBDMO [NH3+][C@@H]1NCN(c2cc([N+](=O)[O-])cc(Cl)n2)[C@H]2NCN[C@H]21 ZINC001162436690 815817097 /nfs/dbraw/zinc/81/70/97/815817097.db2.gz OWGMYJKEQHUAMN-IVZWLZJFSA-N 1 1 299.722 -0.860 20 5 CBBDMO [NH3+][C@@H]1NCN(c2nccc(Cl)c2[N+](=O)[O-])[C@H]2NCN[C@H]21 ZINC001162437848 815819564 /nfs/dbraw/zinc/81/95/64/815819564.db2.gz WJMDGCZWWGGCNC-NBEYISGCSA-N 1 1 299.722 -0.860 20 5 CBBDMO [NH3+][C@@H]1NCN(c2ncc(Cl)cc2[N+](=O)[O-])[C@H]2NCN[C@@H]21 ZINC001162436804 815820585 /nfs/dbraw/zinc/82/05/85/815820585.db2.gz PULQHMJIOSIWIZ-NQMVMOMDSA-N 1 1 299.722 -0.860 20 5 CBBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)n1 ZINC001162440503 815824076 /nfs/dbraw/zinc/82/40/76/815824076.db2.gz SDOSCRPLNQKZIN-MIMYLULJSA-N 1 1 293.331 -0.896 20 5 CBBDMO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ncc([N+](=O)[O-])cn2)N1 ZINC001163238094 815868777 /nfs/dbraw/zinc/86/87/77/815868777.db2.gz LMNHFBBBDZQBAJ-XVKPBYJWSA-N 1 1 264.245 -0.625 20 5 CBBDMO O=C1OC[C@@H]2C[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]12 ZINC001307976522 816816747 /nfs/dbraw/zinc/81/67/47/816816747.db2.gz DVCNJXCNFWGRHL-LSJOCFKGSA-N 1 1 296.283 -0.743 20 5 CBBDMO CCCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001317584425 817022743 /nfs/dbraw/zinc/02/27/43/817022743.db2.gz BMZXYXCYFSZNBY-NXEZZACHSA-N 1 1 286.332 -0.774 20 5 CBBDMO NC(=O)C(=O)NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001318150383 817081051 /nfs/dbraw/zinc/08/10/51/817081051.db2.gz OIUUMMKOTGEZFY-UHFFFAOYSA-N 1 1 292.295 -0.372 20 5 CBBDMO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC001319613024 817225565 /nfs/dbraw/zinc/22/55/65/817225565.db2.gz ZYUJOXXMBDBSEQ-QMMMGPOBSA-N 1 1 282.304 -0.707 20 5 CBBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC001319613024 817225569 /nfs/dbraw/zinc/22/55/69/817225569.db2.gz ZYUJOXXMBDBSEQ-QMMMGPOBSA-N 1 1 282.304 -0.707 20 5 CBBDMO C[N@H+]1CCC[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001320009177 817267494 /nfs/dbraw/zinc/26/74/94/817267494.db2.gz HEECYEVVTDFMRP-JTQLQIEISA-N 1 1 294.311 -0.033 20 5 CBBDMO NC(=O)[C@H]1CN(c2cc(Cl)cc([N+](=O)[O-])n2)CC[NH2+]1 ZINC001166724098 820023716 /nfs/dbraw/zinc/02/37/16/820023716.db2.gz PTJCEZKWLALCFT-SSDOTTSWSA-N 1 1 285.691 -0.093 20 5 CBBDMO NC(=O)[C@@H]1CN(c2cc([N+](=O)[O-])ccn2)CC[NH2+]1 ZINC001166724635 820025414 /nfs/dbraw/zinc/02/54/14/820025414.db2.gz WAFOGADSVFUITD-QMMMGPOBSA-N 1 1 251.246 -0.747 20 5 CBBDMO NC(=O)[C@@H]1CN(c2ncc(F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001166724678 820025849 /nfs/dbraw/zinc/02/58/49/820025849.db2.gz WRHUKJKSSUKZSD-ZETCQYMHSA-N 1 1 269.236 -0.608 20 5 CBBDMO NC(=O)[C@@H]1CN(c2nc(Cl)ncc2[N+](=O)[O-])CC[NH2+]1 ZINC001166724625 820026362 /nfs/dbraw/zinc/02/63/62/820026362.db2.gz VTQAVAYMNCTWRN-YFKPBYRVSA-N 1 1 286.679 -0.698 20 5 CBBDMO CCOc1nc(N2CC[NH2+][C@@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC001166725557 820031504 /nfs/dbraw/zinc/03/15/04/820031504.db2.gz PFSPAACHMYENFY-MRVPVSSYSA-N 1 1 295.299 -0.348 20 5 CBBDMO NC(=O)[C@H]1CN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)CC[NH2+]1 ZINC001166725980 820032103 /nfs/dbraw/zinc/03/21/03/820032103.db2.gz SVMMTYSVQJLHLG-MRVPVSSYSA-N 1 1 290.283 -0.265 20 5 CBBDMO N=c1cc(C[NH3+])ncn1-c1c(F)c([N+](=O)[O-])cc[n+]1[O-] ZINC001167351235 820082932 /nfs/dbraw/zinc/08/29/32/820082932.db2.gz JPDGVAIERVKNCN-UHFFFAOYSA-N 1 1 280.219 -0.509 20 5 CBBDMO [NH3+]CCc1nnn(-c2ccc3[nH]cnc3c2[N+](=O)[O-])n1 ZINC001167792012 820120076 /nfs/dbraw/zinc/12/00/76/820120076.db2.gz PYRKVESTUACGKF-UHFFFAOYSA-N 1 1 274.244 -0.052 20 5 CBBDMO CN(CC[N@@H+](C)CCO)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001168350939 820158706 /nfs/dbraw/zinc/15/87/06/820158706.db2.gz YJBJMDKWANWKBV-UHFFFAOYSA-N 1 1 271.277 -0.686 20 5 CBBDMO O=C1COC[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CCN12 ZINC001169035520 820201619 /nfs/dbraw/zinc/20/16/19/820201619.db2.gz BRRJJNIHAYTJDF-TUAOUCFPSA-N 1 1 283.328 -0.025 20 5 CBBDMO O=C1COC[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CCN12 ZINC001169035521 820201970 /nfs/dbraw/zinc/20/19/70/820201970.db2.gz BRRJJNIHAYTJDF-UTUOFQBUSA-N 1 1 283.328 -0.025 20 5 CBBDMO C[N@@H+]1CCc2c(N[C@H](CO)C(N)=O)ccc([N+](=O)[O-])c2C1 ZINC001169338509 820240708 /nfs/dbraw/zinc/24/07/08/820240708.db2.gz CWOOWCNYEHOHTO-LLVKDONJSA-N 1 1 294.311 -0.159 20 5 CBBDMO C[N@H+]1CCc2c(N[C@H](CO)C(N)=O)ccc([N+](=O)[O-])c2C1 ZINC001169338509 820240714 /nfs/dbraw/zinc/24/07/14/820240714.db2.gz CWOOWCNYEHOHTO-LLVKDONJSA-N 1 1 294.311 -0.159 20 5 CBBDMO O=[N+]([O-])c1c(NC[C@@H]2COCCN2)ncnc1C1C[NH2+]C1 ZINC001170044785 820275885 /nfs/dbraw/zinc/27/58/85/820275885.db2.gz OQLHILSJKBHXJZ-SECBINFHSA-N 1 1 294.315 -0.528 20 5 CBBDMO CC[C@]([NH3+])(CO)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC001170858139 820328429 /nfs/dbraw/zinc/32/84/29/820328429.db2.gz JRIOBTBZLXKTMK-SNVBAGLBSA-N 1 1 269.261 -0.442 20 5 CBBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@H](CO)[C@H](CO)C2)c1 ZINC001197154035 824179085 /nfs/dbraw/zinc/17/90/85/824179085.db2.gz DMZNQHQHBGYGEY-AOOOYVTPSA-N 1 1 270.289 -0.676 20 5 CBBDMO Cc1[nH]nc(C(=O)N2CCCO[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC001261474420 826519797 /nfs/dbraw/zinc/51/97/97/826519797.db2.gz CWXPLMXIIUPMFW-QMMMGPOBSA-N 1 1 283.288 -0.184 20 5 CBBDMO CC[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O ZINC001261558921 826540527 /nfs/dbraw/zinc/54/05/27/826540527.db2.gz UZGSKBIJHBUIAF-VIFPVBQESA-N 1 1 298.299 -0.832 20 5 CBBDMO CC[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O ZINC001261558920 826540780 /nfs/dbraw/zinc/54/07/80/826540780.db2.gz UZGSKBIJHBUIAF-SECBINFHSA-N 1 1 298.299 -0.832 20 5 CBBDMO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001261818838 826586863 /nfs/dbraw/zinc/58/68/63/826586863.db2.gz JDFYHPIHNGKGGK-DTWKUNHWSA-N 1 1 295.299 -0.401 20 5 CBBDMO CN(CC[NH2+]CC(=O)N1CCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001267371567 827160124 /nfs/dbraw/zinc/16/01/24/827160124.db2.gz MMPAANLJMFIPBD-GHMZBOCLSA-N 1 1 298.343 -0.678 20 5 CBBDMO CNC(=O)[C@H](CO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001326503824 885050064 /nfs/dbraw/zinc/05/00/64/885050064.db2.gz WDZAYSNVSMJLRD-QWRGUYRKSA-N 1 1 283.284 -0.675 20 5 CBBDMO Cc1ccc([N+](=O)[O-])c(=O)n1Cc1noc(C[NH3+])n1 ZINC001326582797 885074768 /nfs/dbraw/zinc/07/47/68/885074768.db2.gz RMIWETMDSAFJIX-UHFFFAOYSA-N 1 1 265.229 -0.045 20 5 CBBDMO Cn1c(C[N+](=O)[O-])nnc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001338059867 889112748 /nfs/dbraw/zinc/11/27/48/889112748.db2.gz MHKOWTDRCZSEGN-JTQLQIEISA-N 1 1 296.331 -0.497 20 5 CBBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1c[nH]nc1[N+](=O)[O-] ZINC001340015691 889366692 /nfs/dbraw/zinc/36/66/92/889366692.db2.gz FBYNRPMZSNOYTI-RKDXNWHRSA-N 1 1 295.299 -0.089 20 5 CBBDMO O=CN1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001347758152 890508623 /nfs/dbraw/zinc/50/86/23/890508623.db2.gz ALIMCOYVRZBQSK-LBPRGKRZSA-N 1 1 297.315 -0.684 20 5 CBBDMO C[NH+]1CC(N2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)C1 ZINC001347771694 890514291 /nfs/dbraw/zinc/51/42/91/890514291.db2.gz DEEZRLLJBSKAHN-UHFFFAOYSA-N 1 1 294.315 -0.610 20 5 CBBDMO CC[N@@H+](CCO)CCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001348510388 890637441 /nfs/dbraw/zinc/63/74/41/890637441.db2.gz HNRNNMGSADZUPM-UHFFFAOYSA-N 1 1 271.277 -0.638 20 5 CBBDMO O=C(NC[C@H]1C[NH2+]CCO1)c1n[nH]cc1[N+](=O)[O-] ZINC001349271291 890786103 /nfs/dbraw/zinc/78/61/03/890786103.db2.gz JRJJZNDNCVQLCV-ZCFIWIBFSA-N 1 1 255.234 -0.964 20 5 CBBDMO C[NH2+]C[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001350908259 891064573 /nfs/dbraw/zinc/06/45/73/891064573.db2.gz CAIRCBPLKBETHL-CMPLNLGQSA-N 1 1 283.332 -0.307 20 5 CBBDMO O=C(Cn1cnc([N+](=O)[O-])n1)NCc1c[nH+]c2n1CCC2 ZINC001455698730 914392614 /nfs/dbraw/zinc/39/26/14/914392614.db2.gz SOZWZUWNKXNOPO-UHFFFAOYSA-N 1 1 291.271 -0.355 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)c1 ZINC001460774782 914821201 /nfs/dbraw/zinc/82/12/01/914821201.db2.gz PVEHDEWHQRQEBL-FOUMNBMASA-N 1 1 296.327 -0.145 20 5 CBBDMO CN(C)C(=O)C[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001479770036 916170173 /nfs/dbraw/zinc/17/01/73/916170173.db2.gz HZCKZDKVIAMTQO-NXEZZACHSA-N 1 1 286.332 -0.822 20 5 CBBDMO NC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001501694148 921054573 /nfs/dbraw/zinc/05/45/73/921054573.db2.gz IWDLGXCGZWALAJ-GWOFURMSSA-N 1 1 298.343 -0.599 20 5 CBBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001543383139 923288934 /nfs/dbraw/zinc/28/89/34/923288934.db2.gz ICIWZVWAXQPFPL-VIFPVBQESA-N 1 1 296.331 -0.696 20 5 CBBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001543383139 923288947 /nfs/dbraw/zinc/28/89/47/923288947.db2.gz ICIWZVWAXQPFPL-VIFPVBQESA-N 1 1 296.331 -0.696 20 5 CBBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001543383136 923289462 /nfs/dbraw/zinc/28/94/62/923289462.db2.gz ICIWZVWAXQPFPL-SECBINFHSA-N 1 1 296.331 -0.696 20 5 CBBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001543383136 923289481 /nfs/dbraw/zinc/28/94/81/923289481.db2.gz ICIWZVWAXQPFPL-SECBINFHSA-N 1 1 296.331 -0.696 20 5 CBBDMO C[N@@H+](CC(N)=O)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273030964 529852577 /nfs/dbraw/zinc/85/25/77/529852577.db2.gz MSZMNAFUPVQLOC-VIFPVBQESA-N 1 1 283.284 -0.248 20 5 CBBDMO C[N@H+](CC(N)=O)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273030964 529852578 /nfs/dbraw/zinc/85/25/78/529852578.db2.gz MSZMNAFUPVQLOC-VIFPVBQESA-N 1 1 283.284 -0.248 20 5 CBBDMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1O ZINC000351825062 219218509 /nfs/dbraw/zinc/21/85/09/219218509.db2.gz GEPLPEUTNHKZGH-FBIMIBRVSA-N 1 1 270.289 -0.535 20 5 CBBDMO COCC[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000044685448 351446166 /nfs/dbraw/zinc/44/61/66/351446166.db2.gz NVUOWKSPKNENFN-UHFFFAOYSA-N 1 1 297.315 -0.418 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[NH+](C2CCOCC2)CC1 ZINC000081035498 351702992 /nfs/dbraw/zinc/70/29/92/351702992.db2.gz UDBMVQSVNDNUIZ-VXGBXAGGSA-N 1 1 283.328 -0.025 20 5 CBBDMO NS(=O)(=O)[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000339848970 215363003 /nfs/dbraw/zinc/36/30/03/215363003.db2.gz YYNRHDLYMIGLNJ-MRVPVSSYSA-N 1 1 289.317 -0.846 20 5 CBBDMO NS(=O)(=O)[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000339848970 215363004 /nfs/dbraw/zinc/36/30/04/215363004.db2.gz YYNRHDLYMIGLNJ-MRVPVSSYSA-N 1 1 289.317 -0.846 20 5 CBBDMO C[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000095069633 351767654 /nfs/dbraw/zinc/76/76/54/351767654.db2.gz SMYQRAHWRGEVRT-MRVPVSSYSA-N 1 1 286.313 -0.028 20 5 CBBDMO COCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C)C(N)=O ZINC000174851694 352051731 /nfs/dbraw/zinc/05/17/31/352051731.db2.gz RZSQDZPFDQGBGZ-VIFPVBQESA-N 1 1 285.304 -0.387 20 5 CBBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C)C(N)=O ZINC000174851694 352051734 /nfs/dbraw/zinc/05/17/34/352051734.db2.gz RZSQDZPFDQGBGZ-VIFPVBQESA-N 1 1 285.304 -0.387 20 5 CBBDMO C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)N1CCOCC1 ZINC000174856271 352052503 /nfs/dbraw/zinc/05/25/03/352052503.db2.gz PWKRVVYHFZHRSC-UHFFFAOYSA-N 1 1 297.315 -0.418 20 5 CBBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)N1CCOCC1 ZINC000174856271 352052504 /nfs/dbraw/zinc/05/25/04/352052504.db2.gz PWKRVVYHFZHRSC-UHFFFAOYSA-N 1 1 297.315 -0.418 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000173365759 352036449 /nfs/dbraw/zinc/03/64/49/352036449.db2.gz CCJMQDKFHNTXMF-YPMHNXCESA-N 1 1 295.343 -0.068 20 5 CBBDMO CCCC[N@H+](CC(N)=O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173537844 352038475 /nfs/dbraw/zinc/03/84/75/352038475.db2.gz XVTQNVMAPZYHRG-LLVKDONJSA-N 1 1 299.331 -0.260 20 5 CBBDMO C[C@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1CO ZINC000190374917 352179506 /nfs/dbraw/zinc/17/95/06/352179506.db2.gz IXPSBSOCJWHIOH-ZMLRMANQSA-N 1 1 284.316 -0.145 20 5 CBBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H]1C ZINC000245915033 352325874 /nfs/dbraw/zinc/32/58/74/352325874.db2.gz WACHDGSPHCGNIB-BDAKNGLRSA-N 1 1 297.315 -0.155 20 5 CBBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H]1C ZINC000245915033 352325876 /nfs/dbraw/zinc/32/58/76/352325876.db2.gz WACHDGSPHCGNIB-BDAKNGLRSA-N 1 1 297.315 -0.155 20 5 CBBDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@H]1O ZINC000249602978 352369538 /nfs/dbraw/zinc/36/95/38/352369538.db2.gz YWLVQTFFFGLTPC-ADEWGFFLSA-N 1 1 284.316 -0.145 20 5 CBBDMO CC[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000271011001 352506664 /nfs/dbraw/zinc/50/66/64/352506664.db2.gz ZTRCZUQHSIEYRD-JLLWLGSASA-N 1 1 284.316 -0.145 20 5 CBBDMO C[C@H](O)C[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000275124693 352553008 /nfs/dbraw/zinc/55/30/08/352553008.db2.gz IQMHPWZGQDBZFJ-JTQLQIEISA-N 1 1 297.315 -0.684 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H](O)C2)c1 ZINC000304289835 352746194 /nfs/dbraw/zinc/74/61/94/352746194.db2.gz BYJJXERTCMSEHA-UWVGGRQHSA-N 1 1 256.262 -0.781 20 5 CBBDMO C[N@H+]1CC[C@@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000330519484 352838644 /nfs/dbraw/zinc/83/86/44/352838644.db2.gz PISRZJGOVZNMPD-ZETCQYMHSA-N 1 1 253.262 -0.001 20 5 CBBDMO C[N@@H+]1CC[C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000330519484 352838645 /nfs/dbraw/zinc/83/86/45/352838645.db2.gz PISRZJGOVZNMPD-ZETCQYMHSA-N 1 1 253.262 -0.001 20 5 CBBDMO C[N@H+]1CC[C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000330519484 352838648 /nfs/dbraw/zinc/83/86/48/352838648.db2.gz PISRZJGOVZNMPD-ZETCQYMHSA-N 1 1 253.262 -0.001 20 5 CBBDMO Cc1cc(=O)n(CC(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000330541687 352843824 /nfs/dbraw/zinc/84/38/24/352843824.db2.gz YFSWWYVQHXTLPX-UHFFFAOYSA-N 1 1 294.311 -0.161 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@](F)(CO)C2)c1 ZINC000338597873 353107970 /nfs/dbraw/zinc/10/79/70/353107970.db2.gz YLCSMJFNSZZEPI-WDEREUQCSA-N 1 1 288.279 -0.442 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@](F)(CO)C2)c1 ZINC000338597873 353107974 /nfs/dbraw/zinc/10/79/74/353107974.db2.gz YLCSMJFNSZZEPI-WDEREUQCSA-N 1 1 288.279 -0.442 20 5 CBBDMO CC(=O)N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174646547 137634575 /nfs/dbraw/zinc/63/45/75/137634575.db2.gz QSAKHCJODNUABF-LBPRGKRZSA-N 1 1 297.315 -0.684 20 5 CBBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000153727225 188100067 /nfs/dbraw/zinc/10/00/67/188100067.db2.gz SMQHZYZKKMIKFH-SNVBAGLBSA-N 1 1 296.331 -0.015 20 5 CBBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000358038635 353620080 /nfs/dbraw/zinc/62/00/80/353620080.db2.gz BMJZJJNSRBVGFI-CYBMUJFWSA-N 1 1 294.311 -0.027 20 5 CBBDMO C[C@@H]1CC(=O)NCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000375844326 353768171 /nfs/dbraw/zinc/76/81/71/353768171.db2.gz VGJXQIKPKVDCND-MWLCHTKSSA-N 1 1 297.315 -0.637 20 5 CBBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000408024334 353828023 /nfs/dbraw/zinc/82/80/23/353828023.db2.gz ZNJUEUZCCFNAQT-JTQLQIEISA-N 1 1 294.315 -0.117 20 5 CBBDMO C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H](C)[N@@H+]1C ZINC000408170980 353863453 /nfs/dbraw/zinc/86/34/53/353863453.db2.gz ZFEMKOOPSFDMHT-DTORHVGOSA-N 1 1 282.304 -0.263 20 5 CBBDMO Cn1cnc([N+](=O)[O-])c1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000408199878 353870532 /nfs/dbraw/zinc/87/05/32/353870532.db2.gz XODBNBDGPYWNKY-VIFPVBQESA-N 1 1 267.289 -0.151 20 5 CBBDMO Cn1cnc([N+](=O)[O-])c1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000408199878 353870535 /nfs/dbraw/zinc/87/05/35/353870535.db2.gz XODBNBDGPYWNKY-VIFPVBQESA-N 1 1 267.289 -0.151 20 5 CBBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000408111609 353850808 /nfs/dbraw/zinc/85/08/08/353850808.db2.gz DIMOCTBVDSUFPL-SECBINFHSA-N 1 1 267.289 -0.046 20 5 CBBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000408111609 353850811 /nfs/dbraw/zinc/85/08/11/353850811.db2.gz DIMOCTBVDSUFPL-SECBINFHSA-N 1 1 267.289 -0.046 20 5 CBBDMO COC(=O)C1(C)C[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000424141989 354210987 /nfs/dbraw/zinc/21/09/87/354210987.db2.gz XYZAJFAAJABYAI-JTQLQIEISA-N 1 1 298.299 -0.353 20 5 CBBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)Cn3cnc([N+](=O)[O-])n3)[C@@H]2C1 ZINC000425058420 354235724 /nfs/dbraw/zinc/23/57/24/354235724.db2.gz PAQMZKKHZSSUAR-VHSXEESVSA-N 1 1 294.315 -0.261 20 5 CBBDMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1cc([N+](=O)[O-])n[nH]1 ZINC000452349301 354349770 /nfs/dbraw/zinc/34/97/70/354349770.db2.gz BLVGFSPULJCFTI-SECBINFHSA-N 1 1 297.315 -0.106 20 5 CBBDMO CC[C@]1(O)CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000495194067 354499743 /nfs/dbraw/zinc/49/97/43/354499743.db2.gz NNGSRXUOCYYIJJ-NEPJUHHUSA-N 1 1 284.316 -0.001 20 5 CBBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000547294433 354657697 /nfs/dbraw/zinc/65/76/97/354657697.db2.gz ORPZCAQVPXIFJZ-LBPRGKRZSA-N 1 1 282.300 -0.270 20 5 CBBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000547274063 354657772 /nfs/dbraw/zinc/65/77/72/354657772.db2.gz WEUBGZBKPJVPMZ-GFCCVEGCSA-N 1 1 280.284 -0.214 20 5 CBBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000547761905 354668116 /nfs/dbraw/zinc/66/81/16/354668116.db2.gz FEEXCSURVSXWKO-VIFPVBQESA-N 1 1 297.315 -0.153 20 5 CBBDMO COC[C@@]1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000570962845 354874226 /nfs/dbraw/zinc/87/42/26/354874226.db2.gz KCDUARWHWBDTFB-NSHDSACASA-N 1 1 283.288 -0.184 20 5 CBBDMO C[N@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1(C)C ZINC000574097514 354928759 /nfs/dbraw/zinc/92/87/59/354928759.db2.gz ADTGIPAXKNADGJ-UHFFFAOYSA-N 1 1 282.304 -0.261 20 5 CBBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)n1 ZINC000578466856 354947090 /nfs/dbraw/zinc/94/70/90/354947090.db2.gz UTZNJPLECJCDRB-UWVGGRQHSA-N 1 1 270.289 -0.534 20 5 CBBDMO CC1(C(N)=O)C[NH+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000581009755 355003701 /nfs/dbraw/zinc/00/37/01/355003701.db2.gz VMEQKNXVXRJTIN-UHFFFAOYSA-N 1 1 280.284 -0.436 20 5 CBBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[NH2+]C[C@H]1C(F)F ZINC000580552540 354995438 /nfs/dbraw/zinc/99/54/38/354995438.db2.gz GSVNZUNEYRSDPI-LURJTMIESA-N 1 1 275.215 -0.003 20 5 CBBDMO C[N@H+]1CC[C@@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000584816755 355039044 /nfs/dbraw/zinc/03/90/44/355039044.db2.gz YJLRVODXDOGKTB-ZETCQYMHSA-N 1 1 253.262 -0.001 20 5 CBBDMO C[N@H+]1C[C@@H]2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)[C@@H]2C1 ZINC000590444953 355081091 /nfs/dbraw/zinc/08/10/91/355081091.db2.gz OJFQGWXGKHSYFP-VHSXEESVSA-N 1 1 279.300 -0.046 20 5 CBBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)[C@H]1C[N@H+](C)CCO1 ZINC000586799499 355053188 /nfs/dbraw/zinc/05/31/88/355053188.db2.gz KKQNCYACKQSVNC-VXNVDRBHSA-N 1 1 283.288 -0.233 20 5 CBBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)[C@H]1C[N@@H+](C)CCO1 ZINC000586799499 355053191 /nfs/dbraw/zinc/05/31/91/355053191.db2.gz KKQNCYACKQSVNC-VXNVDRBHSA-N 1 1 283.288 -0.233 20 5 CBBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)[C@@H]1C[N@H+](C)CCO1 ZINC000586799497 355053395 /nfs/dbraw/zinc/05/33/95/355053395.db2.gz KKQNCYACKQSVNC-CBAPKCEASA-N 1 1 283.288 -0.233 20 5 CBBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000586799497 355053398 /nfs/dbraw/zinc/05/33/98/355053398.db2.gz KKQNCYACKQSVNC-CBAPKCEASA-N 1 1 283.288 -0.233 20 5 CBBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+]C(CO)CO)c1 ZINC000589506735 355068639 /nfs/dbraw/zinc/06/86/39/355068639.db2.gz PWYVGBDCESSWTR-UHFFFAOYSA-N 1 1 284.268 -0.176 20 5 CBBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CSC[NH2+]1 ZINC000592564073 355165495 /nfs/dbraw/zinc/16/54/95/355165495.db2.gz DLJGXDWLGPMYLG-QMMMGPOBSA-N 1 1 271.302 -0.430 20 5 CBBDMO Cc1n[nH]c(C(=O)N(C)CCN2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000592468669 355155617 /nfs/dbraw/zinc/15/56/17/355155617.db2.gz CXVSKSVEEYEKEC-UHFFFAOYSA-N 1 1 296.331 -0.396 20 5 CBBDMO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594385121 355245552 /nfs/dbraw/zinc/24/55/52/355245552.db2.gz DCYMHGXXXLJLRB-JGVFFNPUSA-N 1 1 281.272 -0.791 20 5 CBBDMO C[C@@H](O)[C@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595765593 355305245 /nfs/dbraw/zinc/30/52/45/355305245.db2.gz JQRKEAHDYVJREI-YUSALJHKSA-N 1 1 284.316 -0.003 20 5 CBBDMO O=c1[nH]ccc(N2CC[NH+](CCO)CC2)c1[N+](=O)[O-] ZINC000596056144 355340270 /nfs/dbraw/zinc/34/02/70/355340270.db2.gz RYIGNULIBJIHDC-UHFFFAOYSA-N 1 1 268.273 -0.190 20 5 CBBDMO O=C(NC[C@H]1C[N@H+]2CCN1CCC2)c1c[nH]nc1[N+](=O)[O-] ZINC000597627423 355402083 /nfs/dbraw/zinc/40/20/83/355402083.db2.gz ZQONSAZEAWRXJA-VIFPVBQESA-N 1 1 294.315 -0.562 20 5 CBBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC2CC[NH2+]CC2)n1 ZINC000599096687 355463327 /nfs/dbraw/zinc/46/33/27/355463327.db2.gz VEUACRIJPLXBGK-UHFFFAOYSA-N 1 1 289.317 -0.641 20 5 CBBDMO C[C@H](C[C@H](C)[NH3+])NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599097295 355463340 /nfs/dbraw/zinc/46/33/40/355463340.db2.gz AVATUOAQHBJTEE-NKWVEPMBSA-N 1 1 291.333 -0.268 20 5 CBBDMO C[C@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000599098197 355463398 /nfs/dbraw/zinc/46/33/98/355463398.db2.gz QPQGMNFXXDKYGK-ZETCQYMHSA-N 1 1 289.317 -0.689 20 5 CBBDMO O=C(CCn1cc([N+](=O)[O-])cn1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000600805877 355567012 /nfs/dbraw/zinc/56/70/12/355567012.db2.gz AXPKQVFGTRVKNM-NSHDSACASA-N 1 1 297.315 -0.636 20 5 CBBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000600839839 355569026 /nfs/dbraw/zinc/56/90/26/355569026.db2.gz RLCLXVUBFZJQHE-SECBINFHSA-N 1 1 296.283 -0.508 20 5 CBBDMO Cn1cc(CN2CC[NH+](CCO)CC2)c([N+](=O)[O-])n1 ZINC000602426182 355649614 /nfs/dbraw/zinc/64/96/14/355649614.db2.gz YNRAFUIIDMTFEQ-UHFFFAOYSA-N 1 1 269.305 -0.562 20 5 CBBDMO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCNC1=O ZINC000341750091 216089274 /nfs/dbraw/zinc/08/92/74/216089274.db2.gz KFCDDFVCNOHZGR-JTQLQIEISA-N 1 1 280.284 -0.423 20 5 CBBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCNC1=O ZINC000341750091 216089278 /nfs/dbraw/zinc/08/92/78/216089278.db2.gz KFCDDFVCNOHZGR-JTQLQIEISA-N 1 1 280.284 -0.423 20 5 CBBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000330676329 203106068 /nfs/dbraw/zinc/10/60/68/203106068.db2.gz UDNYLVBWJHRPJO-SNVBAGLBSA-N 1 1 294.311 -0.081 20 5 CBBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000330676329 203106070 /nfs/dbraw/zinc/10/60/70/203106070.db2.gz UDNYLVBWJHRPJO-SNVBAGLBSA-N 1 1 294.311 -0.081 20 5 CBBDMO NC(=O)[C@@]1(O)CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000276491908 193354158 /nfs/dbraw/zinc/35/41/58/193354158.db2.gz VOSVQCCVZOSAEG-CYBMUJFWSA-N 1 1 295.295 -0.104 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1 ZINC000344067564 217035912 /nfs/dbraw/zinc/03/59/12/217035912.db2.gz PVEHDEWHQRQEBL-SQNXGDPESA-N 1 1 296.327 -0.145 20 5 CBBDMO NC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000296486724 372963123 /nfs/dbraw/zinc/96/31/23/372963123.db2.gz NKBJDCJUNCXCDQ-JTQLQIEISA-N 1 1 250.258 -0.142 20 5 CBBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000356413965 248247065 /nfs/dbraw/zinc/24/70/65/248247065.db2.gz BKHWHBVILHDMTR-ZJUUUORDSA-N 1 1 296.331 -0.015 20 5 CBBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356461360 248254815 /nfs/dbraw/zinc/25/48/15/248254815.db2.gz OURSMYPOXQCYNR-SECBINFHSA-N 1 1 297.315 -0.221 20 5 CBBDMO NC(=O)C[C@@H]([NH3+])C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000353706487 220270361 /nfs/dbraw/zinc/27/03/61/220270361.db2.gz FFVLSMQVVKWTDP-SECBINFHSA-N 1 1 280.284 -0.544 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H]2CCO)c1 ZINC000426257371 208045334 /nfs/dbraw/zinc/04/53/34/208045334.db2.gz VPZJLVZWIISJRA-JQWIXIFHSA-N 1 1 284.316 -0.001 20 5 CBBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278659526 285164595 /nfs/dbraw/zinc/16/45/95/285164595.db2.gz HTICRBQHTSHOIZ-ZMLRMANQSA-N 1 1 298.295 -0.628 20 5 CBBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285557607 196325587 /nfs/dbraw/zinc/32/55/87/196325587.db2.gz VBYOUGKCJRHGPZ-MRVPVSSYSA-N 1 1 283.288 -0.232 20 5 CBBDMO C[C@H](O)C[NH+]1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000302447156 419616682 /nfs/dbraw/zinc/61/66/82/419616682.db2.gz RNITXKMHOJAEBJ-VIFPVBQESA-N 1 1 267.289 -0.112 20 5 CBBDMO Cc1[nH]nc(C(=O)N2CCO[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000358510771 419897309 /nfs/dbraw/zinc/89/73/09/419897309.db2.gz MENRVFNOKLZRSM-SSDOTTSWSA-N 1 1 269.261 -0.574 20 5 CBBDMO Cc1[nH]nc(C(=O)N2C[C@@H]3C[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC000359417008 419964155 /nfs/dbraw/zinc/96/41/55/419964155.db2.gz QXMHYJNZJGKUEB-YUMQZZPRSA-N 1 1 265.273 -0.082 20 5 CBBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000364932484 420049081 /nfs/dbraw/zinc/04/90/81/420049081.db2.gz FOJZWLILKJADPY-SECBINFHSA-N 1 1 297.315 -0.153 20 5 CBBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC000365334303 420061830 /nfs/dbraw/zinc/06/18/30/420061830.db2.gz ISIWMHYSQCINBC-YNEHKIRRSA-N 1 1 296.371 -0.110 20 5 CBBDMO C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC000365334303 420061832 /nfs/dbraw/zinc/06/18/32/420061832.db2.gz ISIWMHYSQCINBC-YNEHKIRRSA-N 1 1 296.371 -0.110 20 5 CBBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC000365334303 420061837 /nfs/dbraw/zinc/06/18/37/420061837.db2.gz ISIWMHYSQCINBC-YNEHKIRRSA-N 1 1 296.371 -0.110 20 5 CBBDMO Cn1ccnc1[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCN1C ZINC000369650653 420164535 /nfs/dbraw/zinc/16/45/35/420164535.db2.gz XHPZILZWFIMMBC-OUAUKWLOSA-N 1 1 293.327 -0.100 20 5 CBBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405214719 420225475 /nfs/dbraw/zinc/22/54/75/420225475.db2.gz JOYHDJKIOJAOAW-GXSJLCMTSA-N 1 1 294.311 -0.176 20 5 CBBDMO C[NH+](C)CCN1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000377538091 230290478 /nfs/dbraw/zinc/29/04/78/230290478.db2.gz SCUCLBZRTLYFPD-VXGBXAGGSA-N 1 1 284.360 -0.253 20 5 CBBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000572899091 420458149 /nfs/dbraw/zinc/45/81/49/420458149.db2.gz SKPUCRIMGUSSPZ-GFCCVEGCSA-N 1 1 295.299 -0.632 20 5 CBBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2CC[C@H](O)C2)nc1 ZINC000599201222 420491933 /nfs/dbraw/zinc/49/19/33/420491933.db2.gz GRYQBCGUTGSLJF-JTQLQIEISA-N 1 1 252.274 0.468 20 5 CBBDMO O=[N+]([O-])c1cnc(N2CC[NH+](CCCO)CC2)nc1 ZINC000273239413 275041055 /nfs/dbraw/zinc/04/10/55/275041055.db2.gz YJMHVJDVAIJJEM-UHFFFAOYSA-N 1 1 267.289 -0.111 20 5 CBBDMO C[NH+]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000357101234 277115069 /nfs/dbraw/zinc/11/50/69/277115069.db2.gz GXQUUAXJDVEZER-UHFFFAOYSA-N 1 1 265.273 -0.160 20 5 CBBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH2+][C@H](C(N)=O)C2)n1 ZINC000359108845 278665299 /nfs/dbraw/zinc/66/52/99/278665299.db2.gz MWMKHHHUJYHLOX-VIFPVBQESA-N 1 1 279.300 -0.130 20 5 CBBDMO CO[C@@H]1COC[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000571043818 327982289 /nfs/dbraw/zinc/98/22/89/327982289.db2.gz SXWDUTWWPULCAS-VXNVDRBHSA-N 1 1 256.262 -0.168 20 5 CBBDMO COCC[N@@H+](C)CCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000558749854 327118914 /nfs/dbraw/zinc/11/89/14/327118914.db2.gz YRZLCYXXOXVFOU-UHFFFAOYSA-N 1 1 271.277 -0.374 20 5 CBBDMO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1n[nH]cc1[N+](=O)[O-] ZINC000560508106 327316341 /nfs/dbraw/zinc/31/63/41/327316341.db2.gz RKQMHXPOPXRJQO-GFCCVEGCSA-N 1 1 295.299 -0.496 20 5 CBBDMO COCCCNC(=O)C[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000157820895 523318770 /nfs/dbraw/zinc/31/87/70/523318770.db2.gz LJUHMBVTZAOKKS-UHFFFAOYSA-N 1 1 299.331 -0.124 20 5 CBBDMO COCCCNC(=O)C[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000157820895 523318784 /nfs/dbraw/zinc/31/87/84/523318784.db2.gz LJUHMBVTZAOKKS-UHFFFAOYSA-N 1 1 299.331 -0.124 20 5 CBBDMO CC[N@@H+](CCNC(=O)Cn1cnc([N+](=O)[O-])n1)C1CC1 ZINC000354875679 528484074 /nfs/dbraw/zinc/48/40/74/528484074.db2.gz ANSJEDXOMDVTTI-UHFFFAOYSA-N 1 1 282.304 -0.213 20 5 CBBDMO CN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CCC[N@@H+](C)C1 ZINC000356809275 536012967 /nfs/dbraw/zinc/01/29/67/536012967.db2.gz RFZMSFCJSKFVCG-VIFPVBQESA-N 1 1 282.304 -0.261 20 5 CBBDMO CN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1CCC[N@@H+](C)C1 ZINC000356809273 536013073 /nfs/dbraw/zinc/01/30/73/536013073.db2.gz RFZMSFCJSKFVCG-SECBINFHSA-N 1 1 282.304 -0.261 20 5 CBBDMO Cc1nn(C)c(NCC(=O)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000734140819 582168041 /nfs/dbraw/zinc/16/80/41/582168041.db2.gz BRCJNFPZNNJJQG-UHFFFAOYSA-N 1 1 296.331 -0.177 20 5 CBBDMO C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000743272075 582276298 /nfs/dbraw/zinc/27/62/98/582276298.db2.gz MANSSKMJJGVFOF-PWSUYJOCSA-N 1 1 283.332 -0.212 20 5 CBBDMO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000743272075 582276299 /nfs/dbraw/zinc/27/62/99/582276299.db2.gz MANSSKMJJGVFOF-PWSUYJOCSA-N 1 1 283.332 -0.212 20 5 CBBDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000743272075 582276300 /nfs/dbraw/zinc/27/63/00/582276300.db2.gz MANSSKMJJGVFOF-PWSUYJOCSA-N 1 1 283.332 -0.212 20 5 CBBDMO Cc1[nH+]ccn1CCOC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000771923925 582342383 /nfs/dbraw/zinc/34/23/83/582342383.db2.gz ZAHRVQMYZAZNGQ-UHFFFAOYSA-N 1 1 280.244 -0.065 20 5 CBBDMO CC(C)C1(O)C[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000773895345 582348684 /nfs/dbraw/zinc/34/86/84/582348684.db2.gz IFNCZYIZZOBFSI-LLVKDONJSA-N 1 1 284.316 -0.145 20 5 CBBDMO C[C@@]1(C(N)=O)CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000794702928 582406677 /nfs/dbraw/zinc/40/66/77/582406677.db2.gz GLQSQUBOFIXLLN-SNVBAGLBSA-N 1 1 253.262 -0.054 20 5 CBBDMO C[C@@]1(C(N)=O)CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000794702928 582406678 /nfs/dbraw/zinc/40/66/78/582406678.db2.gz GLQSQUBOFIXLLN-SNVBAGLBSA-N 1 1 253.262 -0.054 20 5 CBBDMO COCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839663937 583157371 /nfs/dbraw/zinc/15/73/71/583157371.db2.gz VTDSXMZFVIOSQY-HBNTYKKESA-N 1 1 271.317 -0.121 20 5 CBBDMO COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839663937 583157373 /nfs/dbraw/zinc/15/73/73/583157373.db2.gz VTDSXMZFVIOSQY-HBNTYKKESA-N 1 1 271.317 -0.121 20 5 CBBDMO COCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839663937 583157375 /nfs/dbraw/zinc/15/73/75/583157375.db2.gz VTDSXMZFVIOSQY-HBNTYKKESA-N 1 1 271.317 -0.121 20 5 CBBDMO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000848024194 583421400 /nfs/dbraw/zinc/42/14/00/583421400.db2.gz FPPDWCADDMNWCQ-HBNTYKKESA-N 1 1 273.333 -0.139 20 5 CBBDMO NC(=O)C[N@@H+]1CCCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000853214542 583580396 /nfs/dbraw/zinc/58/03/96/583580396.db2.gz JXZHVAHALJJBDY-UHFFFAOYSA-N 1 1 294.315 -0.431 20 5 CBBDMO NC(=O)C[N@H+]1CCCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000853214542 583580398 /nfs/dbraw/zinc/58/03/98/583580398.db2.gz JXZHVAHALJJBDY-UHFFFAOYSA-N 1 1 294.315 -0.431 20 5 CBBDMO Cc1c[nH+]cn1CC(=O)OCCn1cnc([N+](=O)[O-])n1 ZINC000860584408 583750790 /nfs/dbraw/zinc/75/07/90/583750790.db2.gz JMIOFLWUEXAWOM-UHFFFAOYSA-N 1 1 280.244 -0.065 20 5 CBBDMO Cn1ncc([N+](=O)[O-])c1NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000893186783 584636317 /nfs/dbraw/zinc/63/63/17/584636317.db2.gz FCBRFNPWAPTIEK-JTQLQIEISA-N 1 1 255.278 -0.193 20 5 CBBDMO C[C@@H]1CN(c2c([N+](=O)[O-])cnn2C)CC[N@@H+]1CCO ZINC000893277828 584638348 /nfs/dbraw/zinc/63/83/48/584638348.db2.gz WJMMGCLGZCTATO-SECBINFHSA-N 1 1 269.305 -0.169 20 5 CBBDMO C[C@@H]1CN(c2c([N+](=O)[O-])cnn2C)CC[N@H+]1CCO ZINC000893277828 584638349 /nfs/dbraw/zinc/63/83/49/584638349.db2.gz WJMMGCLGZCTATO-SECBINFHSA-N 1 1 269.305 -0.169 20 5 CBBDMO C[NH+](C)CC1(O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000913677110 657580348 /nfs/dbraw/zinc/58/03/48/657580348.db2.gz ALBQYFBGVCMIFB-NXEZZACHSA-N 1 1 271.317 -0.433 20 5 CBBDMO Cn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC001020139378 658016587 /nfs/dbraw/zinc/01/65/87/658016587.db2.gz ZUMBMCCIYLPALD-YJFSRANCSA-N 1 1 294.315 -0.783 20 5 CBBDMO Cn1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001020138848 658018290 /nfs/dbraw/zinc/01/82/90/658018290.db2.gz DRVKBLDHJLXFBM-DDHJBXDOSA-N 1 1 293.327 -0.178 20 5 CBBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CC[N@@H+]1C ZINC000928563817 659046180 /nfs/dbraw/zinc/04/61/80/659046180.db2.gz SKEKOPRGDJKZQU-SECBINFHSA-N 1 1 267.289 -0.080 20 5 CBBDMO C[N@H+]1CC[C@@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000928569604 659048425 /nfs/dbraw/zinc/04/84/25/659048425.db2.gz NJZNIEQRNOCUDE-MRVPVSSYSA-N 1 1 253.262 -0.388 20 5 CBBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](CCO)CC1 ZINC000981138162 659309784 /nfs/dbraw/zinc/30/97/84/659309784.db2.gz NQNPRFGKWHJPQX-NXEZZACHSA-N 1 1 257.290 -0.822 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@@H+](CCO)CC1 ZINC000981138162 659309788 /nfs/dbraw/zinc/30/97/88/659309788.db2.gz NQNPRFGKWHJPQX-NXEZZACHSA-N 1 1 257.290 -0.822 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@H+](CCO)CC1 ZINC000981138162 659309792 /nfs/dbraw/zinc/30/97/92/659309792.db2.gz NQNPRFGKWHJPQX-NXEZZACHSA-N 1 1 257.290 -0.822 20 5 CBBDMO Cn1cc(CN2CC[N@H+](C)[C@@H](CO)C2)c([N+](=O)[O-])n1 ZINC000931398213 659446107 /nfs/dbraw/zinc/44/61/07/659446107.db2.gz JABUVEDSQWPBQT-SNVBAGLBSA-N 1 1 269.305 -0.563 20 5 CBBDMO Cn1cc(CN2CC[N@@H+](C)[C@@H](CO)C2)c([N+](=O)[O-])n1 ZINC000931398213 659446115 /nfs/dbraw/zinc/44/61/15/659446115.db2.gz JABUVEDSQWPBQT-SNVBAGLBSA-N 1 1 269.305 -0.563 20 5 CBBDMO COc1ncnc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC001164668475 719394341 /nfs/dbraw/zinc/39/43/41/719394341.db2.gz RTOJSIBSYSFHIA-IUCAKERBSA-N 1 1 295.299 -0.087 20 5 CBBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC001324153158 804114156 /nfs/dbraw/zinc/11/41/56/804114156.db2.gz JFQKTSKPHFKGKA-GDNZZTSVSA-N 1 1 279.296 -0.073 20 5 CBBDMO O=C(NC[C@@]1(CO)COCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC001151817527 815095412 /nfs/dbraw/zinc/09/54/12/815095412.db2.gz RLCBMCYCLUQYQB-CYBMUJFWSA-N 1 1 295.295 -0.325 20 5 CBBDMO Cc1nc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)ncc1[N+](=O)[O-] ZINC001155578824 815297734 /nfs/dbraw/zinc/29/77/34/815297734.db2.gz BWAYSKURSDVBAJ-KCJUWKMLSA-N 1 1 278.272 -0.317 20 5 CBBDMO Cn1ccc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001157767556 815462547 /nfs/dbraw/zinc/46/25/47/815462547.db2.gz QLDOSXJGIZTDPC-GHMZBOCLSA-N 1 1 281.316 -0.319 20 5 CBBDMO O=C(C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])NCC1CC1 ZINC001157761389 815462580 /nfs/dbraw/zinc/46/25/80/815462580.db2.gz QKMKVQTYADEAHH-GHMZBOCLSA-N 1 1 298.343 -0.726 20 5 CBBDMO O=C(C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])NC1CC1 ZINC001157767145 815463204 /nfs/dbraw/zinc/46/32/04/815463204.db2.gz ICMPRVUUNMLUQA-NXEZZACHSA-N 1 1 284.316 -0.974 20 5 CBBDMO [NH3+]Cc1ncn(-c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])n1 ZINC001157928826 815483986 /nfs/dbraw/zinc/48/39/86/815483986.db2.gz XBSUEERUAKUIJE-UHFFFAOYSA-N 1 1 270.636 -0.079 20 5 CBBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001117737929 812441614 /nfs/dbraw/zinc/44/16/14/812441614.db2.gz XUVQGWJHZHOZTB-DTWKUNHWSA-N 1 1 295.299 -0.401 20 5 CBBDMO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ncnn1C ZINC001118090535 812469309 /nfs/dbraw/zinc/46/93/09/812469309.db2.gz LQRIYBBHAQYWCF-SCZZXKLOSA-N 1 1 295.303 -0.369 20 5 CBBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@H](N)CCC[NH3+] ZINC001159787063 815596161 /nfs/dbraw/zinc/59/61/61/815596161.db2.gz QODMCYOQNKOMKI-VIFPVBQESA-N 1 1 255.278 -0.028 20 5 CBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1ccon1 ZINC001124187151 813416933 /nfs/dbraw/zinc/41/69/33/813416933.db2.gz ZHXOVZDIDHUDNK-UHFFFAOYSA-N 1 1 294.271 -0.164 20 5 CBBDMO CCCOCC(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001124483831 813444007 /nfs/dbraw/zinc/44/40/07/813444007.db2.gz PPVNWONYFNATNC-UHFFFAOYSA-N 1 1 299.331 -0.039 20 5 CBBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])NCC1CCC1 ZINC001126932070 813694325 /nfs/dbraw/zinc/69/43/25/813694325.db2.gz HDKVCVCEKKTQSA-GHMZBOCLSA-N 1 1 298.343 -0.726 20 5 CBBDMO CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126936675 813698051 /nfs/dbraw/zinc/69/80/51/813698051.db2.gz QGDDQZPVQOKNPX-NXEZZACHSA-N 1 1 286.332 -0.774 20 5 CBBDMO C[NH+]1CCC(CCO)(NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC001137991067 814598969 /nfs/dbraw/zinc/59/89/69/814598969.db2.gz QABJIVOCMHOJFX-UHFFFAOYSA-N 1 1 297.315 -0.106 20 5 CBBDMO COc1cc(NCCN2CC[NH2+]CC2=O)ncc1[N+](=O)[O-] ZINC001161019479 815698038 /nfs/dbraw/zinc/69/80/38/815698038.db2.gz OVGXJECNAYLJKL-UHFFFAOYSA-N 1 1 295.299 -0.158 20 5 CBBDMO [NH3+][C@@H]1NCN(c2cc(Cl)ncc2[N+](=O)[O-])[C@@H]2NCN[C@@H]21 ZINC001162436242 815818438 /nfs/dbraw/zinc/81/84/38/815818438.db2.gz JBXGJXYZVNCXNZ-BBBLOLIVSA-N 1 1 299.722 -0.860 20 5 CBBDMO [NH3+][C@@H]1NCN(c2ncc(Cl)cc2[N+](=O)[O-])[C@H]2NCN[C@H]21 ZINC001162436806 815820287 /nfs/dbraw/zinc/82/02/87/815820287.db2.gz PULQHMJIOSIWIZ-QXFUBDJGSA-N 1 1 299.722 -0.860 20 5 CBBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)n1 ZINC001162440501 815824377 /nfs/dbraw/zinc/82/43/77/815824377.db2.gz SDOSCRPLNQKZIN-INTQDDNPSA-N 1 1 293.331 -0.896 20 5 CBBDMO O=C1OC[C@@H]2C[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]12 ZINC001307976521 816816516 /nfs/dbraw/zinc/81/65/16/816816516.db2.gz DVCNJXCNFWGRHL-GDPRMGEGSA-N 1 1 296.283 -0.743 20 5 CBBDMO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@@H](CO)[C@H](CCO)C2)c1 ZINC001308162969 816822841 /nfs/dbraw/zinc/82/28/41/816822841.db2.gz JXDJHJKIPRSBDC-MNOVXSKESA-N 1 1 284.316 -0.286 20 5 CBBDMO CN(CC[NH2+]CCc1ccnn1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001317585339 817022258 /nfs/dbraw/zinc/02/22/58/817022258.db2.gz PQRDTEINMCQIRU-VXGBXAGGSA-N 1 1 295.343 -0.324 20 5 CBBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001317997160 817061109 /nfs/dbraw/zinc/06/11/09/817061109.db2.gz SSIZHSYTGCGMIM-UWVGGRQHSA-N 1 1 294.315 -0.071 20 5 CBBDMO C[C@H]1C[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@H+]1C ZINC001318748145 817139305 /nfs/dbraw/zinc/13/93/05/817139305.db2.gz HNCKFAOSOPBTDH-IUCAKERBSA-N 1 1 282.304 -0.215 20 5 CBBDMO C[C@@H]1C[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@H+]1C ZINC001318748146 817139670 /nfs/dbraw/zinc/13/96/70/817139670.db2.gz HNCKFAOSOPBTDH-RKDXNWHRSA-N 1 1 282.304 -0.215 20 5 CBBDMO O=C(NCCC[NH+]1CCC(O)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC001319616247 817225222 /nfs/dbraw/zinc/22/52/22/817225222.db2.gz OZTWYBLYUFXAKM-UHFFFAOYSA-N 1 1 297.315 -0.106 20 5 CBBDMO CNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164490709 819916475 /nfs/dbraw/zinc/91/64/75/819916475.db2.gz SRZXMGVSJVUWNG-NXEZZACHSA-N 1 1 298.343 -0.726 20 5 CBBDMO NC(=O)[C@H]1CN(c2cc([N+](=O)[O-])cc(Cl)n2)CC[NH2+]1 ZINC001166724368 820026130 /nfs/dbraw/zinc/02/61/30/820026130.db2.gz TYBXHUQGHFRFNH-SSDOTTSWSA-N 1 1 285.691 -0.093 20 5 CBBDMO NC(=O)[C@H]1CN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)CC[NH2+]1 ZINC001166725451 820028397 /nfs/dbraw/zinc/02/83/97/820028397.db2.gz MZMCCEIPCDIERA-MRVPVSSYSA-N 1 1 290.283 -0.265 20 5 CBBDMO NC(=O)[C@@H]1CN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)CC[NH2+]1 ZINC001166725452 820029590 /nfs/dbraw/zinc/02/95/90/820029590.db2.gz MZMCCEIPCDIERA-QMMMGPOBSA-N 1 1 290.283 -0.265 20 5 CBBDMO [NH3+]Cc1ncn(-c2ccc([N+](=O)[O-])c3c2CNC3=O)n1 ZINC001168757151 820177833 /nfs/dbraw/zinc/17/78/33/820177833.db2.gz ZDKWUAFGFRQZJL-UHFFFAOYSA-N 1 1 274.240 -0.122 20 5 CBBDMO CS(=O)(=O)c1ccc(-n2nnnc2C[NH3+])c([N+](=O)[O-])c1 ZINC001168923197 820192353 /nfs/dbraw/zinc/19/23/53/820192353.db2.gz GUYSCLZHTKSNCA-UHFFFAOYSA-N 1 1 298.284 -0.567 20 5 CBBDMO C[N@@H+]1CCc2c(N[C@@H](CO)C(N)=O)ccc([N+](=O)[O-])c2C1 ZINC001169338510 820240124 /nfs/dbraw/zinc/24/01/24/820240124.db2.gz CWOOWCNYEHOHTO-NSHDSACASA-N 1 1 294.311 -0.159 20 5 CBBDMO C[N@H+]1CCc2c(N[C@@H](CO)C(N)=O)ccc([N+](=O)[O-])c2C1 ZINC001169338510 820240131 /nfs/dbraw/zinc/24/01/31/820240131.db2.gz CWOOWCNYEHOHTO-NSHDSACASA-N 1 1 294.311 -0.159 20 5 CBBDMO C[N@@H+](CCO)CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC001187593661 822283373 /nfs/dbraw/zinc/28/33/73/822283373.db2.gz NFLMKWQRIISZMK-UHFFFAOYSA-N 1 1 256.266 -0.697 20 5 CBBDMO CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001200462104 824319842 /nfs/dbraw/zinc/31/98/42/824319842.db2.gz SVUFYJFXAQGRPF-GHMZBOCLSA-N 1 1 298.343 -0.632 20 5 CBBDMO Cc1cc(=O)[nH]c(OC(=O)C[C@@H](O)C[N+](C)(C)C)n1 ZINC001226154942 825273139 /nfs/dbraw/zinc/27/31/39/825273139.db2.gz BFBPJYPHBPQOSZ-SECBINFHSA-O 1 1 270.309 -0.147 20 5 CBBDMO Cc1nnc(=S)[nH]c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001227597946 825304308 /nfs/dbraw/zinc/30/43/08/825304308.db2.gz GDLSXLHHOBCQNY-MRVPVSSYSA-O 1 1 287.365 -0.169 20 5 CBBDMO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cnnc(=S)[nH]1 ZINC001228641685 825321236 /nfs/dbraw/zinc/32/12/36/825321236.db2.gz GYANQHROZKQBRC-SSDOTTSWSA-O 1 1 273.338 -0.477 20 5 CBBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C(C(N)=O)C(N)=O ZINC001254535381 825966279 /nfs/dbraw/zinc/96/62/79/825966279.db2.gz IVDWBBSNKFHWQX-ZETCQYMHSA-N 1 1 280.284 -0.545 20 5 CBBDMO O=C(NC[C@@H]1C[NH2+]CCCO1)c1n[nH]cc1[N+](=O)[O-] ZINC001261473173 826519888 /nfs/dbraw/zinc/51/98/88/826519888.db2.gz DPUJXJPJJJDUNM-ZETCQYMHSA-N 1 1 269.261 -0.574 20 5 CBBDMO CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001263832279 826782122 /nfs/dbraw/zinc/78/21/22/826782122.db2.gz NXNVCEGDJNYTBB-LMLFDSFASA-N 1 1 298.343 -0.728 20 5 CBBDMO CN(CCC[NH2+]CC(=O)NC1CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001268792352 827424064 /nfs/dbraw/zinc/42/40/64/827424064.db2.gz YJTVPVLTSXPSJE-GHMZBOCLSA-N 1 1 298.343 -0.632 20 5 CBBDMO CC[N@@H+](C)CCOCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001277494048 828190270 /nfs/dbraw/zinc/19/02/70/828190270.db2.gz NPQCMEHBQFYLDE-NXEZZACHSA-N 1 1 259.306 -0.264 20 5 CBBDMO CC[N@H+](C)CCOCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001277494048 828190275 /nfs/dbraw/zinc/19/02/75/828190275.db2.gz NPQCMEHBQFYLDE-NXEZZACHSA-N 1 1 259.306 -0.264 20 5 CBBDMO CC[N@@H+](C)CCOCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001277494048 828190280 /nfs/dbraw/zinc/19/02/80/828190280.db2.gz NPQCMEHBQFYLDE-NXEZZACHSA-N 1 1 259.306 -0.264 20 5 CBBDMO CC(C)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])c(C(N)=O)n1 ZINC001327889290 885513819 /nfs/dbraw/zinc/51/38/19/885513819.db2.gz QBVJZYZJDAHUIQ-QMMMGPOBSA-N 1 1 285.304 -0.409 20 5 CBBDMO O=[N+]([O-])CC[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC001336829114 888894919 /nfs/dbraw/zinc/89/49/19/888894919.db2.gz KGQBFSUENDHASB-UHFFFAOYSA-N 1 1 264.225 -0.170 20 5 CBBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001326573734 885070101 /nfs/dbraw/zinc/07/01/01/885070101.db2.gz LGZNHZYIVAFTGI-SECBINFHSA-N 1 1 295.299 -0.781 20 5 CBBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001326573734 885070116 /nfs/dbraw/zinc/07/01/16/885070116.db2.gz LGZNHZYIVAFTGI-SECBINFHSA-N 1 1 295.299 -0.781 20 5 CBBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1c[nH]nc1[N+](=O)[O-] ZINC001329567462 886124607 /nfs/dbraw/zinc/12/46/07/886124607.db2.gz IOOZMQJXDKPLNT-SSDOTTSWSA-N 1 1 269.261 -0.886 20 5 CBBDMO C[N@H+]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@H](CO)C1 ZINC001333037355 887509527 /nfs/dbraw/zinc/50/95/27/887509527.db2.gz DVUPXRHSSSKBAG-NSHDSACASA-N 1 1 269.305 -0.600 20 5 CBBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1c[nH]nc1[N+](=O)[O-] ZINC001340015690 889365682 /nfs/dbraw/zinc/36/56/82/889365682.db2.gz FBYNRPMZSNOYTI-IUCAKERBSA-N 1 1 295.299 -0.089 20 5 CBBDMO CCn1c(C[N+](=O)[O-])nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001340990598 889530874 /nfs/dbraw/zinc/53/08/74/889530874.db2.gz AKZBDSLQSLJANE-JTQLQIEISA-N 1 1 296.331 -0.405 20 5 CBBDMO CCn1c(C[N+](=O)[O-])nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001340990598 889530887 /nfs/dbraw/zinc/53/08/87/889530887.db2.gz AKZBDSLQSLJANE-JTQLQIEISA-N 1 1 296.331 -0.405 20 5 CBBDMO Cc1cc([N+](=O)[O-])cn(Cc2noc(C[NH3+])n2)c1=O ZINC001345781253 890164044 /nfs/dbraw/zinc/16/40/44/890164044.db2.gz NGOHSLAEOPWWBW-UHFFFAOYSA-N 1 1 265.229 -0.045 20 5 CBBDMO C[NH+](C)C[C@]1(O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001348964916 890736402 /nfs/dbraw/zinc/73/64/02/890736402.db2.gz HQTJCTQGZKKNDD-FXPVBKGRSA-N 1 1 257.290 -0.823 20 5 CBBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC12CC[NH+](CC1)C2 ZINC001350837112 891057124 /nfs/dbraw/zinc/05/71/24/891057124.db2.gz WPEZCOOGINYZQZ-UHFFFAOYSA-N 1 1 265.273 -0.094 20 5 CBBDMO O=C(NC[C@]1(CO)COCC[NH2+]1)c1ccc([N+](=O)[O-])cn1 ZINC001454777587 914256499 /nfs/dbraw/zinc/25/64/99/914256499.db2.gz KTQBALKLEQTXQU-LBPRGKRZSA-N 1 1 296.283 -0.930 20 5 CBBDMO O=C(NC[C@@]1(CO)COCC[NH2+]1)c1ccc([N+](=O)[O-])cn1 ZINC001454777583 914256646 /nfs/dbraw/zinc/25/66/46/914256646.db2.gz KTQBALKLEQTXQU-GFCCVEGCSA-N 1 1 296.283 -0.930 20 5 CBBDMO CC[N@@H+](CCO)CCNC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC001467376748 915208808 /nfs/dbraw/zinc/20/88/08/915208808.db2.gz STXLEKJPVHQFHS-UHFFFAOYSA-N 1 1 299.331 -0.470 20 5 CBBDMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001471840886 915647085 /nfs/dbraw/zinc/64/70/85/915647085.db2.gz KSJLKKYAMLQOCF-HTQZYQBOSA-N 1 1 280.288 -0.355 20 5 CBBDMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001471840893 915647344 /nfs/dbraw/zinc/64/73/44/915647344.db2.gz KSJLKKYAMLQOCF-YUMQZZPRSA-N 1 1 280.288 -0.355 20 5 CBBDMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001471840888 915648984 /nfs/dbraw/zinc/64/89/84/915648984.db2.gz KSJLKKYAMLQOCF-JGVFFNPUSA-N 1 1 280.288 -0.355 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001472083587 915692005 /nfs/dbraw/zinc/69/20/05/915692005.db2.gz ODHJUHFIHIUZNK-SZEHBUNVSA-N 1 1 255.274 -0.759 20 5 CBBDMO CNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001484634457 917903097 /nfs/dbraw/zinc/90/30/97/917903097.db2.gz MXGVTUAGQLLYKI-RKDXNWHRSA-N 1 1 284.316 -0.974 20 5 CBBDMO COCC[NH+]1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2C)CC1 ZINC001519606304 922281859 /nfs/dbraw/zinc/28/18/59/922281859.db2.gz MXIZEUGZTUEZOT-JTQLQIEISA-N 1 1 298.347 -0.079 20 5 CBBDMO Nc1ccc(C(=O)N2CC([NH2+]C3COC3)C2)cc1[N+](=O)[O-] ZINC001558610931 924188847 /nfs/dbraw/zinc/18/88/47/924188847.db2.gz CTBYKJROTIAHLE-UHFFFAOYSA-N 1 1 292.295 -0.010 20 5 CBBDMO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C[C@H]1CO ZINC001559253730 924217815 /nfs/dbraw/zinc/21/78/15/924217815.db2.gz JVYWYEZRRCUMKD-VIFPVBQESA-N 1 1 295.299 -0.799 20 5 CBBDMO C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C[C@H]1CO ZINC001559253730 924217824 /nfs/dbraw/zinc/21/78/24/924217824.db2.gz JVYWYEZRRCUMKD-VIFPVBQESA-N 1 1 295.299 -0.799 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H]2CO)c1 ZINC000266561544 230192881 /nfs/dbraw/zinc/19/28/81/230192881.db2.gz XSIBUVVPAZYNGT-ONGXEEELSA-N 1 1 270.289 -0.391 20 5 CBBDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000351825064 219217467 /nfs/dbraw/zinc/21/74/67/219217467.db2.gz GEPLPEUTNHKZGH-MIMYLULJSA-N 1 1 270.289 -0.535 20 5 CBBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(C)(CO)CO ZINC000090552790 180002259 /nfs/dbraw/zinc/00/22/59/180002259.db2.gz AWLRJMYPCHSPGI-UHFFFAOYSA-N 1 1 299.327 -0.321 20 5 CBBDMO CC[N@@H+](C[C@@H](C)O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352233368 219376405 /nfs/dbraw/zinc/37/64/05/219376405.db2.gz YDVRWVYYOVPLSP-MWLCHTKSSA-N 1 1 272.305 -0.145 20 5 CBBDMO C[N@@H+](CC(N)=O)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000051826259 351514220 /nfs/dbraw/zinc/51/42/20/351514220.db2.gz ORTRCLIYYYVYPT-JTQLQIEISA-N 1 1 283.284 -0.248 20 5 CBBDMO C[N@H+](CC(N)=O)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000051826259 351514228 /nfs/dbraw/zinc/51/42/28/351514228.db2.gz ORTRCLIYYYVYPT-JTQLQIEISA-N 1 1 283.284 -0.248 20 5 CBBDMO C[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000095069634 351767584 /nfs/dbraw/zinc/76/75/84/351767584.db2.gz SMYQRAHWRGEVRT-QMMMGPOBSA-N 1 1 286.313 -0.028 20 5 CBBDMO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC[NH2+]1 ZINC000095069543 351767837 /nfs/dbraw/zinc/76/78/37/351767837.db2.gz LTFDTDLFXWWYAD-MRVPVSSYSA-N 1 1 286.313 -0.028 20 5 CBBDMO NC(=O)[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CC[NH2+]1 ZINC000148180264 351929172 /nfs/dbraw/zinc/92/91/72/351929172.db2.gz DEFJPFQHQSZIFC-LURJTMIESA-N 1 1 296.312 -0.433 20 5 CBBDMO CNC(=O)CCC[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000155337208 351950096 /nfs/dbraw/zinc/95/00/96/351950096.db2.gz CJNOIQVWKTUQSC-NSHDSACASA-N 1 1 299.331 -0.390 20 5 CBBDMO CCN1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174646091 352049207 /nfs/dbraw/zinc/04/92/07/352049207.db2.gz SGSIOASESQLBHR-GFCCVEGCSA-N 1 1 283.332 -0.210 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H](O)C2)c1 ZINC000174649562 352049765 /nfs/dbraw/zinc/04/97/65/352049765.db2.gz IOBVTAHBCCELMF-WDEREUQCSA-N 1 1 270.289 -0.391 20 5 CBBDMO NC(=O)[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174847970 352052341 /nfs/dbraw/zinc/05/23/41/352052341.db2.gz UZKBPZFXZMXXSU-VIFPVBQESA-N 1 1 253.262 -0.259 20 5 CBBDMO NC(=O)[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174847970 352052343 /nfs/dbraw/zinc/05/23/43/352052343.db2.gz UZKBPZFXZMXXSU-VIFPVBQESA-N 1 1 253.262 -0.259 20 5 CBBDMO C[C@]1(O)CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000245880906 352325124 /nfs/dbraw/zinc/32/51/24/352325124.db2.gz ICPORKCTRWXGMI-NEPJUHHUSA-N 1 1 284.316 -0.001 20 5 CBBDMO CNC(=O)[C@@H](C)C[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246234348 352330253 /nfs/dbraw/zinc/33/02/53/352330253.db2.gz QQBJQCRHYZULCL-GXSJLCMTSA-N 1 1 299.331 -0.534 20 5 CBBDMO CN1CC[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1=O ZINC000270604081 352496961 /nfs/dbraw/zinc/49/69/61/352496961.db2.gz XOSQOSXAWAJPCE-LLVKDONJSA-N 1 1 294.311 -0.081 20 5 CBBDMO CN1CC[C@@H]([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1=O ZINC000270604081 352496964 /nfs/dbraw/zinc/49/69/64/352496964.db2.gz XOSQOSXAWAJPCE-LLVKDONJSA-N 1 1 294.311 -0.081 20 5 CBBDMO CC(C)[NH+]1CC(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000275297459 352557055 /nfs/dbraw/zinc/55/70/55/352557055.db2.gz YATCGBZQFCBXDS-UHFFFAOYSA-N 1 1 294.311 -0.035 20 5 CBBDMO Cc1[nH]nc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC000280043812 352589503 /nfs/dbraw/zinc/58/95/03/352589503.db2.gz QXMHYJNZJGKUEB-OCAPTIKFSA-N 1 1 265.273 -0.082 20 5 CBBDMO C[C@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CC[N@@H+]1CCO ZINC000302401080 352740115 /nfs/dbraw/zinc/74/01/15/352740115.db2.gz JYIKWGFTOJXEOI-QMMMGPOBSA-N 1 1 282.304 -0.530 20 5 CBBDMO C[C@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CC[N@H+]1CCO ZINC000302401080 352740118 /nfs/dbraw/zinc/74/01/18/352740118.db2.gz JYIKWGFTOJXEOI-QMMMGPOBSA-N 1 1 282.304 -0.530 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H](CO)C2)c1 ZINC000304380525 352746374 /nfs/dbraw/zinc/74/63/74/352746374.db2.gz YFEHPDRWCVORFL-CMPLNLGQSA-N 1 1 284.316 -0.144 20 5 CBBDMO C[N@H+]1CC[C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000330519479 352839014 /nfs/dbraw/zinc/83/90/14/352839014.db2.gz PISRZJGOVZNMPD-SSDOTTSWSA-N 1 1 253.262 -0.001 20 5 CBBDMO C[N@@H+]1CC[C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000330519479 352839017 /nfs/dbraw/zinc/83/90/17/352839017.db2.gz PISRZJGOVZNMPD-SSDOTTSWSA-N 1 1 253.262 -0.001 20 5 CBBDMO C[N@H+]1CC[C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000330519479 352839019 /nfs/dbraw/zinc/83/90/19/352839019.db2.gz PISRZJGOVZNMPD-SSDOTTSWSA-N 1 1 253.262 -0.001 20 5 CBBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1(CO)CCC1 ZINC000292270524 198225501 /nfs/dbraw/zinc/22/55/01/198225501.db2.gz ZPAZPEYWTHOYGT-LLVKDONJSA-N 1 1 284.316 -0.001 20 5 CBBDMO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCNC1=O ZINC000340227049 353159125 /nfs/dbraw/zinc/15/91/25/353159125.db2.gz VLCKQANVMMCKJU-MRVPVSSYSA-N 1 1 253.262 -0.388 20 5 CBBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCNC1=O ZINC000340227049 353159126 /nfs/dbraw/zinc/15/91/26/353159126.db2.gz VLCKQANVMMCKJU-MRVPVSSYSA-N 1 1 253.262 -0.388 20 5 CBBDMO NC(=O)N[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000342872895 353237234 /nfs/dbraw/zinc/23/72/34/353237234.db2.gz ITMHRYQQFAJABW-SECBINFHSA-N 1 1 295.299 -0.501 20 5 CBBDMO NC(=O)N[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000342872895 353237236 /nfs/dbraw/zinc/23/72/36/353237236.db2.gz ITMHRYQQFAJABW-SECBINFHSA-N 1 1 295.299 -0.501 20 5 CBBDMO C[C@@H]1[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CCC[N@H+]1C ZINC000343565595 353279476 /nfs/dbraw/zinc/27/94/76/353279476.db2.gz RUSZWJHHLGXTAD-RKDXNWHRSA-N 1 1 282.304 -0.215 20 5 CBBDMO O=C(NCCNc1cc[nH+]cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000343199828 353259414 /nfs/dbraw/zinc/25/94/14/353259414.db2.gz HKRUPVSOQXCPHB-UHFFFAOYSA-N 1 1 276.256 -0.023 20 5 CBBDMO CN(C)C(=O)NCC[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000348917359 353440787 /nfs/dbraw/zinc/44/07/87/353440787.db2.gz HMKDYJALGXFPKA-UHFFFAOYSA-N 1 1 284.320 -0.006 20 5 CBBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000354006708 353537647 /nfs/dbraw/zinc/53/76/47/353537647.db2.gz NCTFHCWMWNHADI-VIFPVBQESA-N 1 1 282.304 -0.261 20 5 CBBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000358047609 353621446 /nfs/dbraw/zinc/62/14/46/353621446.db2.gz MBFMQYMPBYJZKP-LLVKDONJSA-N 1 1 269.257 -0.016 20 5 CBBDMO Cn1cnc([N+](=O)[O-])c1NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358325087 353638062 /nfs/dbraw/zinc/63/80/62/353638062.db2.gz AJBNCTZGVASSFF-SNVBAGLBSA-N 1 1 255.278 -0.193 20 5 CBBDMO C[N@H+]1CC[C@](O)(CNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000358359233 353639787 /nfs/dbraw/zinc/63/97/87/353639787.db2.gz UHJUZSODBCQPQA-LBPRGKRZSA-N 1 1 295.299 -0.433 20 5 CBBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000358427196 353643696 /nfs/dbraw/zinc/64/36/96/353643696.db2.gz VJFFTIBGWHCPTQ-LBPRGKRZSA-N 1 1 296.283 -0.508 20 5 CBBDMO C[N@H+]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000408063581 353841470 /nfs/dbraw/zinc/84/14/70/353841470.db2.gz VWWVUAUJQPKGHY-UHFFFAOYSA-N 1 1 268.277 -0.650 20 5 CBBDMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000416309488 353968122 /nfs/dbraw/zinc/96/81/22/353968122.db2.gz NGALURTYSHWTIN-RKDXNWHRSA-N 1 1 297.315 -0.155 20 5 CBBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000416309488 353968123 /nfs/dbraw/zinc/96/81/23/353968123.db2.gz NGALURTYSHWTIN-RKDXNWHRSA-N 1 1 297.315 -0.155 20 5 CBBDMO CC[N@@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000546719557 354655391 /nfs/dbraw/zinc/65/53/91/354655391.db2.gz KLTSHSUEOGZTLU-UHFFFAOYSA-N 1 1 284.316 -0.023 20 5 CBBDMO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000573565347 354915479 /nfs/dbraw/zinc/91/54/79/354915479.db2.gz FXRQLKHMDXULBA-ZCFIWIBFSA-N 1 1 275.215 -0.003 20 5 CBBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](CO)[C@H](O)C2)n1 ZINC000578466855 354947117 /nfs/dbraw/zinc/94/71/17/354947117.db2.gz UTZNJPLECJCDRB-NXEZZACHSA-N 1 1 270.289 -0.534 20 5 CBBDMO C[N@H+]1C[C@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000590044105 355073532 /nfs/dbraw/zinc/07/35/32/355073532.db2.gz GYCRAVMTCBZOMU-MWLCHTKSSA-N 1 1 279.300 -0.046 20 5 CBBDMO C[N@H+]1C[C@H]2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)[C@@H]2C1 ZINC000590444951 355080725 /nfs/dbraw/zinc/08/07/25/355080725.db2.gz OJFQGWXGKHSYFP-NXEZZACHSA-N 1 1 279.300 -0.046 20 5 CBBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)[C@H]1C[N@H+](C)CCO1 ZINC000586799498 355053254 /nfs/dbraw/zinc/05/32/54/355053254.db2.gz KKQNCYACKQSVNC-IONNQARKSA-N 1 1 283.288 -0.233 20 5 CBBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)[C@H]1C[N@@H+](C)CCO1 ZINC000586799498 355053255 /nfs/dbraw/zinc/05/32/55/355053255.db2.gz KKQNCYACKQSVNC-IONNQARKSA-N 1 1 283.288 -0.233 20 5 CBBDMO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000592195148 355139382 /nfs/dbraw/zinc/13/93/82/355139382.db2.gz JKKBIOBMKWRSQW-GXSJLCMTSA-N 1 1 298.299 -0.353 20 5 CBBDMO Cc1[nH]nc(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000592308918 355147492 /nfs/dbraw/zinc/14/74/92/355147492.db2.gz PBTBEQLXPPPXTA-POYBYMJQSA-N 1 1 283.288 -0.185 20 5 CBBDMO O=C(c1ccc([N+](=O)[O-])cn1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593856665 355223096 /nfs/dbraw/zinc/22/30/96/355223096.db2.gz YWDZHXIAEDAJMI-LLVKDONJSA-N 1 1 292.295 -0.119 20 5 CBBDMO O=C(c1ccc([N+](=O)[O-])cn1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593856665 355223099 /nfs/dbraw/zinc/22/30/99/355223099.db2.gz YWDZHXIAEDAJMI-LLVKDONJSA-N 1 1 292.295 -0.119 20 5 CBBDMO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593854731 355223153 /nfs/dbraw/zinc/22/31/53/355223153.db2.gz CUIIURHKFJPPJG-MRVPVSSYSA-N 1 1 281.272 -0.791 20 5 CBBDMO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593854731 355223157 /nfs/dbraw/zinc/22/31/57/355223157.db2.gz CUIIURHKFJPPJG-MRVPVSSYSA-N 1 1 281.272 -0.791 20 5 CBBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C(CO)CO ZINC000594001862 355234432 /nfs/dbraw/zinc/23/44/32/355234432.db2.gz BLJHQBCRMOFTAM-UHFFFAOYSA-N 1 1 283.284 -0.215 20 5 CBBDMO O=[N+]([O-])c1ccn(CCN2CC[N@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC000594027917 355234799 /nfs/dbraw/zinc/23/47/99/355234799.db2.gz VGDZYDKRQCJSQL-WDEREUQCSA-N 1 1 281.316 -0.458 20 5 CBBDMO [NH3+]C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(F)(F)F ZINC000594451374 355248798 /nfs/dbraw/zinc/24/87/98/355248798.db2.gz SNTWWUWUYBFLJV-SCSAIBSYSA-N 1 1 267.167 -0.063 20 5 CBBDMO NC(=O)c1cc(N2CC[NH+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000596056257 355340028 /nfs/dbraw/zinc/34/00/28/355340028.db2.gz VOJPGWOLTSCRTK-UHFFFAOYSA-N 1 1 294.311 -0.192 20 5 CBBDMO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC(C[NH+]2CCOCC2)C1 ZINC000597681827 355408865 /nfs/dbraw/zinc/40/88/65/355408865.db2.gz IMHCWJDMPOYBMC-UHFFFAOYSA-N 1 1 295.299 -0.278 20 5 CBBDMO CCN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1CC[N@@H+](C)C1 ZINC000597945525 355423949 /nfs/dbraw/zinc/42/39/49/355423949.db2.gz HOWYMRSVZLNEEH-SECBINFHSA-N 1 1 282.304 -0.261 20 5 CBBDMO C[NH2+]CCCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599098432 355464433 /nfs/dbraw/zinc/46/44/33/355464433.db2.gz UMUHEPLUVVIFAG-UHFFFAOYSA-N 1 1 277.306 -0.784 20 5 CBBDMO O=[N+]([O-])c1cnccc1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000599175958 355469830 /nfs/dbraw/zinc/46/98/30/355469830.db2.gz LAJZDKMEFXCUAM-SECBINFHSA-N 1 1 252.274 -0.110 20 5 CBBDMO O=[N+]([O-])c1cnccc1NCC[N@@H+]1CC[C@H](O)C1 ZINC000599199443 355472454 /nfs/dbraw/zinc/47/24/54/355472454.db2.gz LAJZDKMEFXCUAM-VIFPVBQESA-N 1 1 252.274 -0.110 20 5 CBBDMO Nc1c(C(=O)NCC[N@H+]2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000600530264 355556697 /nfs/dbraw/zinc/55/66/97/355556697.db2.gz BTZZFLKRGYHYIH-SECBINFHSA-N 1 1 294.311 -0.027 20 5 CBBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1C[C@@H](O)C1 ZINC000599670375 355507668 /nfs/dbraw/zinc/50/76/68/355507668.db2.gz FGCPQDXXUYDYHF-ADEWGFFLSA-N 1 1 284.316 -0.145 20 5 CBBDMO Cn1cc(CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])n1 ZINC000602707263 355667436 /nfs/dbraw/zinc/66/74/36/355667436.db2.gz UPXLCVUCKNWSAL-WDEREUQCSA-N 1 1 281.316 -0.421 20 5 CBBDMO CO[C@@H]1COC[C@H]1[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602853256 355676392 /nfs/dbraw/zinc/67/63/92/355676392.db2.gz WBOYVEAVIFRZJX-RKDXNWHRSA-N 1 1 256.262 -0.168 20 5 CBBDMO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602866119 355678532 /nfs/dbraw/zinc/67/85/32/355678532.db2.gz NAMMIXVIMCQYLM-VHSXEESVSA-N 1 1 270.289 -0.090 20 5 CBBDMO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602866119 355678533 /nfs/dbraw/zinc/67/85/33/355678533.db2.gz NAMMIXVIMCQYLM-VHSXEESVSA-N 1 1 270.289 -0.090 20 5 CBBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)CO ZINC000610369762 355777905 /nfs/dbraw/zinc/77/79/05/355777905.db2.gz UNSFKTMFVVZCOC-SNVBAGLBSA-N 1 1 272.305 -0.145 20 5 CBBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000611185342 355796621 /nfs/dbraw/zinc/79/66/21/355796621.db2.gz ZJCDYFRHSDJMMS-PHIMTYICSA-N 1 1 283.284 -0.816 20 5 CBBDMO CC[N@H+]1CCC[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000330662289 203091563 /nfs/dbraw/zinc/09/15/63/203091563.db2.gz SHDRNJBQUCFCTO-SECBINFHSA-N 1 1 282.304 -0.213 20 5 CBBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000330693414 203124161 /nfs/dbraw/zinc/12/41/61/203124161.db2.gz HWENGLJRSZTPNZ-SNVBAGLBSA-N 1 1 296.331 -0.847 20 5 CBBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@H](C)C1 ZINC000276589092 193392559 /nfs/dbraw/zinc/39/25/59/193392559.db2.gz KGUNEVQMAZJSPD-BDAKNGLRSA-N 1 1 297.315 -0.155 20 5 CBBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@H](C)C1 ZINC000276589092 193392560 /nfs/dbraw/zinc/39/25/60/193392560.db2.gz KGUNEVQMAZJSPD-BDAKNGLRSA-N 1 1 297.315 -0.155 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c1 ZINC000344067566 217035418 /nfs/dbraw/zinc/03/54/18/217035418.db2.gz PVEHDEWHQRQEBL-WKSBVSIWSA-N 1 1 296.327 -0.145 20 5 CBBDMO C[NH+](C)C[C@@](C)(O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000344676753 217272351 /nfs/dbraw/zinc/27/23/51/217272351.db2.gz MAFODXNEDIHYRT-JTQLQIEISA-N 1 1 271.277 -0.640 20 5 CBBDMO CC1(C)[C@@H](O)CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000361420757 373292170 /nfs/dbraw/zinc/29/21/70/373292170.db2.gz PIZKTBPPTNTXPI-MNOVXSKESA-N 1 1 284.316 -0.003 20 5 CBBDMO C[C@]1(C(N)=O)CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000361558846 373309791 /nfs/dbraw/zinc/30/97/91/373309791.db2.gz YUBKVHZLBZBGBT-NSHDSACASA-N 1 1 267.289 -0.011 20 5 CBBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1[nH]ncc1[N+](=O)[O-] ZINC000362397043 373403768 /nfs/dbraw/zinc/40/37/68/373403768.db2.gz QMNPXVZYWKVKIO-BDAKNGLRSA-N 1 1 295.299 -0.089 20 5 CBBDMO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1n[nH]cc1[N+](=O)[O-] ZINC000362397043 373403776 /nfs/dbraw/zinc/40/37/76/373403776.db2.gz QMNPXVZYWKVKIO-BDAKNGLRSA-N 1 1 295.299 -0.089 20 5 CBBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1n[nH]cc1[N+](=O)[O-] ZINC000362397043 373403790 /nfs/dbraw/zinc/40/37/90/373403790.db2.gz QMNPXVZYWKVKIO-BDAKNGLRSA-N 1 1 295.299 -0.089 20 5 CBBDMO COCC[N@H+]1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000363375181 373490088 /nfs/dbraw/zinc/49/00/88/373490088.db2.gz QAZMLQCCDCGHQA-QWRGUYRKSA-N 1 1 271.317 -0.168 20 5 CBBDMO COCC[N@H+]1CCCN(C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CC1 ZINC000363375181 373490073 /nfs/dbraw/zinc/49/00/73/373490073.db2.gz QAZMLQCCDCGHQA-QWRGUYRKSA-N 1 1 271.317 -0.168 20 5 CBBDMO COCC[N@@H+]1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000363375181 373490079 /nfs/dbraw/zinc/49/00/79/373490079.db2.gz QAZMLQCCDCGHQA-QWRGUYRKSA-N 1 1 271.317 -0.168 20 5 CBBDMO CCc1[nH]nc(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000515497640 373789170 /nfs/dbraw/zinc/78/91/70/373789170.db2.gz YCXWADPGOZFNJH-IUCAKERBSA-N 1 1 297.315 -0.373 20 5 CBBDMO C[N@H+]1CC[C@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000532688208 374171236 /nfs/dbraw/zinc/17/12/36/374171236.db2.gz ADYLJEPRYZQMHB-VIFPVBQESA-N 1 1 267.289 -0.141 20 5 CBBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000561784852 374302563 /nfs/dbraw/zinc/30/25/63/374302563.db2.gz NAQOLDHVJGWQRK-JQWIXIFHSA-N 1 1 297.311 -0.568 20 5 CBBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000356413962 248246111 /nfs/dbraw/zinc/24/61/11/248246111.db2.gz BKHWHBVILHDMTR-VHSXEESVSA-N 1 1 296.331 -0.015 20 5 CBBDMO CN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000347003558 218088725 /nfs/dbraw/zinc/08/87/25/218088725.db2.gz GKQVPKKXYFXKIE-JTQLQIEISA-N 1 1 294.315 -0.119 20 5 CBBDMO O=[N+]([O-])c1ccn(CC[N@H+]2[C@@H](CO)CC[C@H]2CO)n1 ZINC000347292530 218179988 /nfs/dbraw/zinc/17/99/88/218179988.db2.gz BVFQCQLCIXKUOK-AOOOYVTPSA-N 1 1 270.289 -0.391 20 5 CBBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000278799879 194160742 /nfs/dbraw/zinc/16/07/42/194160742.db2.gz OOPSMFZSQKKHHL-UTUOFQBUSA-N 1 1 268.269 -0.334 20 5 CBBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000278799879 194160744 /nfs/dbraw/zinc/16/07/44/194160744.db2.gz OOPSMFZSQKKHHL-UTUOFQBUSA-N 1 1 268.269 -0.334 20 5 CBBDMO COC(=O)[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266515207 190263453 /nfs/dbraw/zinc/26/34/53/190263453.db2.gz YRTIZBCRZFMQFT-KOLCDFICSA-N 1 1 298.299 -0.353 20 5 CBBDMO C[C@H]1COCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266505588 190262251 /nfs/dbraw/zinc/26/22/51/190262251.db2.gz XMDMDWYNVNZPEV-ONGXEEELSA-N 1 1 270.289 -0.127 20 5 CBBDMO C[C@H]1COCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266505588 190262252 /nfs/dbraw/zinc/26/22/52/190262252.db2.gz XMDMDWYNVNZPEV-ONGXEEELSA-N 1 1 270.289 -0.127 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](CCO)C2CC2)c1 ZINC000266543053 190265261 /nfs/dbraw/zinc/26/52/61/190265261.db2.gz QWHIJIVGYOCZKV-LLVKDONJSA-N 1 1 270.289 -0.391 20 5 CBBDMO CN1CC[C@@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C1=O ZINC000267108755 190304012 /nfs/dbraw/zinc/30/40/12/190304012.db2.gz WXDSTGVIMJULJJ-SECBINFHSA-N 1 1 267.289 -0.046 20 5 CBBDMO CN1CC[C@@H]([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)C1=O ZINC000267108755 190304013 /nfs/dbraw/zinc/30/40/13/190304013.db2.gz WXDSTGVIMJULJJ-SECBINFHSA-N 1 1 267.289 -0.046 20 5 CBBDMO CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCNC1=O ZINC000440964162 208347411 /nfs/dbraw/zinc/34/74/11/208347411.db2.gz NLPBFMHJEJIQKK-MNOVXSKESA-N 1 1 297.315 -0.637 20 5 CBBDMO C[C@H](O)C[N@H+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)[C@H](C)C1 ZINC000275381085 135105606 /nfs/dbraw/zinc/10/56/06/135105606.db2.gz PDPGNIWGUVTANI-BDAKNGLRSA-N 1 1 296.331 -0.142 20 5 CBBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1COC[C@H]1O ZINC000285399481 196272074 /nfs/dbraw/zinc/27/20/74/196272074.db2.gz AVLQXIOHSZITIR-NXEZZACHSA-N 1 1 256.262 -0.517 20 5 CBBDMO COCC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285557613 196325719 /nfs/dbraw/zinc/32/57/19/196325719.db2.gz VBYOUGKCJRHGPZ-QMMMGPOBSA-N 1 1 283.288 -0.232 20 5 CBBDMO CC(=O)NCC[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000575178617 335076024 /nfs/dbraw/zinc/07/60/24/335076024.db2.gz KZKLTZNCTLSABC-UHFFFAOYSA-N 1 1 282.300 -0.176 20 5 CBBDMO CCc1nn(C)c(N2CC[NH2+][C@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000288178484 419611245 /nfs/dbraw/zinc/61/12/45/419611245.db2.gz QXERBONBHXDVFR-QMMMGPOBSA-N 1 1 282.304 -0.846 20 5 CBBDMO C[C@H](O)C[N@@H+](CCO)CCn1cc([N+](=O)[O-])ccc1=O ZINC000289738510 419611637 /nfs/dbraw/zinc/61/16/37/419611637.db2.gz JKPINJNVOOHFKC-JTQLQIEISA-N 1 1 285.300 -0.568 20 5 CBBDMO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000331274962 419658387 /nfs/dbraw/zinc/65/83/87/419658387.db2.gz PXINDFVFSSVFCG-APPZFPTMSA-N 1 1 267.289 -0.058 20 5 CBBDMO Nc1nc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)ncc1[N+](=O)[O-] ZINC000363571471 420029265 /nfs/dbraw/zinc/02/92/65/420029265.db2.gz NXJCXCVIQKJLHY-DTWKUNHWSA-N 1 1 294.315 -0.336 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@](O)(C3CC3)C2)c1 ZINC000365851938 420070245 /nfs/dbraw/zinc/07/02/45/420070245.db2.gz XQDDKFZPPAVKDZ-CHWSQXEVSA-N 1 1 296.327 -0.001 20 5 CBBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3C[C@@H]3[N+](=O)[O-])CC2)C1 ZINC000365334300 420061199 /nfs/dbraw/zinc/06/11/99/420061199.db2.gz ISIWMHYSQCINBC-AVGNSLFASA-N 1 1 296.371 -0.110 20 5 CBBDMO C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3CC3[N+](=O)[O-])CC2)C1 ZINC000365334300 420061205 /nfs/dbraw/zinc/06/12/05/420061205.db2.gz ISIWMHYSQCINBC-AVGNSLFASA-N 1 1 296.371 -0.110 20 5 CBBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3CC3[N+](=O)[O-])CC2)C1 ZINC000365334300 420061209 /nfs/dbraw/zinc/06/12/09/420061209.db2.gz ISIWMHYSQCINBC-AVGNSLFASA-N 1 1 296.371 -0.110 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2C[C@@H](O)C3(CC3)C2)c1 ZINC000368787689 420143237 /nfs/dbraw/zinc/14/32/37/420143237.db2.gz ZHILTRASWCRVFB-WDEREUQCSA-N 1 1 282.300 -0.391 20 5 CBBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000367383533 420105088 /nfs/dbraw/zinc/10/50/88/420105088.db2.gz CGHVWSFINAPDFT-SSDOTTSWSA-N 1 1 289.242 -0.143 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000368010897 420121744 /nfs/dbraw/zinc/12/17/44/420121744.db2.gz VCHPBAUTGHPPSR-MXWKQRLJSA-N 1 1 268.317 -0.842 20 5 CBBDMO Nc1nc(N2CC[N@@H+]3CCOC[C@H]3C2)ncc1[N+](=O)[O-] ZINC000369408993 420158954 /nfs/dbraw/zinc/15/89/54/420158954.db2.gz OKBAHWKZZQTZOQ-MRVPVSSYSA-N 1 1 280.288 -0.512 20 5 CBBDMO Nc1nc(N2CC[N@H+]3CCOC[C@H]3C2)ncc1[N+](=O)[O-] ZINC000369408993 420158956 /nfs/dbraw/zinc/15/89/56/420158956.db2.gz OKBAHWKZZQTZOQ-MRVPVSSYSA-N 1 1 280.288 -0.512 20 5 CBBDMO Cn1cnc([N+](=O)[O-])c1N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405261754 420225787 /nfs/dbraw/zinc/22/57/87/420225787.db2.gz JIRYQKOABQHLHP-DTWKUNHWSA-N 1 1 267.289 -0.417 20 5 CBBDMO O=C1NC[C@@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)CC[C@@H]12 ZINC000377683060 230296497 /nfs/dbraw/zinc/29/64/97/230296497.db2.gz ZBURGBPWQXCGFE-NXEZZACHSA-N 1 1 279.300 -0.141 20 5 CBBDMO NC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC000298454079 274937235 /nfs/dbraw/zinc/93/72/35/274937235.db2.gz IMURKATVRAKFJG-VIFPVBQESA-N 1 1 268.248 -0.003 20 5 CBBDMO Cc1ccc([N+](=O)[O-])c(N2CC[NH2+][C@H](C(N)=O)C2)n1 ZINC000269065768 281012834 /nfs/dbraw/zinc/01/28/34/281012834.db2.gz YUBCCFPPUIGIDE-QMMMGPOBSA-N 1 1 265.273 -0.438 20 5 CBBDMO O=C1C[C@H]([NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C(=O)N1 ZINC000584239482 327104806 /nfs/dbraw/zinc/10/48/06/327104806.db2.gz BSNJSKKVDHFTNZ-VIFPVBQESA-N 1 1 293.283 -0.157 20 5 CBBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C(CO)CO)nc2c1 ZINC000572300499 329970854 /nfs/dbraw/zinc/97/08/54/329970854.db2.gz CSRYSVIWBSXDSK-UHFFFAOYSA-N 1 1 266.257 -0.086 20 5 CBBDMO C[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cc(F)c2=O)CC1 ZINC000567860209 334769366 /nfs/dbraw/zinc/76/93/66/334769366.db2.gz CQPXIRJZMQCVGI-UHFFFAOYSA-N 1 1 298.274 -0.330 20 5 CBBDMO C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+]1C ZINC000742193809 582271970 /nfs/dbraw/zinc/27/19/70/582271970.db2.gz CLPGMIIWOXBSQJ-SNVBAGLBSA-N 1 1 294.311 -0.081 20 5 CBBDMO C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[N@H+]1C ZINC000742193809 582271971 /nfs/dbraw/zinc/27/19/71/582271971.db2.gz CLPGMIIWOXBSQJ-SNVBAGLBSA-N 1 1 294.311 -0.081 20 5 CBBDMO NC(=O)[C@@]1(O)CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000788473215 582386151 /nfs/dbraw/zinc/38/61/51/582386151.db2.gz IDTPJSZXMPDCNK-WCQYABFASA-N 1 1 295.295 -0.450 20 5 CBBDMO COC(=O)c1cn(C2CC[NH+](CC[N+](=O)[O-])CC2)nn1 ZINC000791055802 582392394 /nfs/dbraw/zinc/39/23/94/582392394.db2.gz YOTYKXWMCTVJMN-UHFFFAOYSA-N 1 1 283.288 -0.022 20 5 CBBDMO C[N@@H+](CC[N+](=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000791054295 582392415 /nfs/dbraw/zinc/39/24/15/582392415.db2.gz ZJGLDDINEMROHD-UHFFFAOYSA-N 1 1 265.335 -0.381 20 5 CBBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc([N+](=O)[O-])n[nH]1 ZINC000795849766 582410726 /nfs/dbraw/zinc/41/07/26/582410726.db2.gz ADBUUNHFRSODGK-RKDXNWHRSA-N 1 1 295.299 -0.089 20 5 CBBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cc([N+](=O)[O-])n[nH]1 ZINC000795849762 582410762 /nfs/dbraw/zinc/41/07/62/582410762.db2.gz ADBUUNHFRSODGK-DTWKUNHWSA-N 1 1 295.299 -0.089 20 5 CBBDMO C[C@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000839730669 583158774 /nfs/dbraw/zinc/15/87/74/583158774.db2.gz HZLWVGOCVVATNI-HBNTYKKESA-N 1 1 285.344 -0.045 20 5 CBBDMO C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000839730669 583158775 /nfs/dbraw/zinc/15/87/75/583158775.db2.gz HZLWVGOCVVATNI-HBNTYKKESA-N 1 1 285.344 -0.045 20 5 CBBDMO C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000839730669 583158776 /nfs/dbraw/zinc/15/87/76/583158776.db2.gz HZLWVGOCVVATNI-HBNTYKKESA-N 1 1 285.344 -0.045 20 5 CBBDMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839781110 583159620 /nfs/dbraw/zinc/15/96/20/583159620.db2.gz IVVLHFCYZMRNAI-HBNTYKKESA-N 1 1 271.317 -0.385 20 5 CBBDMO O=C(NC[C@@H]1CCC[N@H+]1CCCO)[C@@H]1CC1[N+](=O)[O-] ZINC000839781110 583159623 /nfs/dbraw/zinc/15/96/23/583159623.db2.gz IVVLHFCYZMRNAI-HBNTYKKESA-N 1 1 271.317 -0.385 20 5 CBBDMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)[C@@H]1CC1[N+](=O)[O-] ZINC000839781110 583159625 /nfs/dbraw/zinc/15/96/25/583159625.db2.gz IVVLHFCYZMRNAI-HBNTYKKESA-N 1 1 271.317 -0.385 20 5 CBBDMO O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000840452968 583165046 /nfs/dbraw/zinc/16/50/46/583165046.db2.gz MBCZRMRJPVWNGZ-HBNTYKKESA-N 1 1 271.317 -0.385 20 5 CBBDMO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000854642084 583614143 /nfs/dbraw/zinc/61/41/43/583614143.db2.gz INQDIGKOUJSKNV-KKOKHZNYSA-N 1 1 283.328 -0.027 20 5 CBBDMO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000854642084 583614144 /nfs/dbraw/zinc/61/41/44/583614144.db2.gz INQDIGKOUJSKNV-KKOKHZNYSA-N 1 1 283.328 -0.027 20 5 CBBDMO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000854642084 583614145 /nfs/dbraw/zinc/61/41/45/583614145.db2.gz INQDIGKOUJSKNV-KKOKHZNYSA-N 1 1 283.328 -0.027 20 5 CBBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000863833931 583859233 /nfs/dbraw/zinc/85/92/33/583859233.db2.gz YINWSPCGXAWFRB-JTQLQIEISA-N 1 1 294.311 -0.027 20 5 CBBDMO O=C(N[C@H](CO)C[NH+]1CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000879993669 584258715 /nfs/dbraw/zinc/25/87/15/584258715.db2.gz ZRRZVLCGOQGORV-IVZWLZJFSA-N 1 1 257.290 -0.776 20 5 CBBDMO C[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000896536099 584701597 /nfs/dbraw/zinc/70/15/97/584701597.db2.gz VGPCPSHTCSGTNA-GWOFURMSSA-N 1 1 270.333 -0.598 20 5 CBBDMO CC(C)[NH+]1CC(N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC000941406514 614316763 /nfs/dbraw/zinc/31/67/63/614316763.db2.gz BDZAAZVSQWZJCE-CHWSQXEVSA-N 1 1 296.371 -0.112 20 5 CBBDMO C[C@H]1[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[N@H+]1C ZINC000928447576 659024492 /nfs/dbraw/zinc/02/44/92/659024492.db2.gz KZNJUUDLIITELC-GXSJLCMTSA-N 1 1 294.311 -0.035 20 5 CBBDMO CNS(=O)(=O)C[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000931337326 659437029 /nfs/dbraw/zinc/43/70/29/659437029.db2.gz FEXDWIAPVLAVHO-VIFPVBQESA-N 1 1 265.335 -0.476 20 5 CBBDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000931337326 659437038 /nfs/dbraw/zinc/43/70/38/659437038.db2.gz FEXDWIAPVLAVHO-VIFPVBQESA-N 1 1 265.335 -0.476 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC3(C2)OCCO3)c1 ZINC000173326514 656084997 /nfs/dbraw/zinc/08/49/97/656084997.db2.gz DICZFAGHXNQXRO-LLVKDONJSA-N 1 1 298.299 -0.399 20 5 CBBDMO Cc1cc(N2CC[C@@H]([NH2+]CC[N+](=O)[O-])C2=O)n(C)n1 ZINC000905136884 656340394 /nfs/dbraw/zinc/34/03/94/656340394.db2.gz TVFYIAFOICEESF-SECBINFHSA-N 1 1 267.289 -0.300 20 5 CBBDMO Cn1ccc(N2CCC[C@@H]([NH2+]CC[N+](=O)[O-])C2=O)n1 ZINC000905135679 656340480 /nfs/dbraw/zinc/34/04/80/656340480.db2.gz JGEOKDUHFOVVPZ-SECBINFHSA-N 1 1 267.289 -0.218 20 5 CBBDMO C[C@@H]1C[C@H]([NH2+]CC[N+](=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000905146919 656341313 /nfs/dbraw/zinc/34/13/13/656341313.db2.gz SWBMKHFKJYEZIX-SCZZXKLOSA-N 1 1 267.289 -0.220 20 5 CBBDMO CN(OCC(F)(F)F)C(=O)C[NH2+]CC[N+](=O)[O-] ZINC000905384926 656355371 /nfs/dbraw/zinc/35/53/71/656355371.db2.gz HWZYWJDXRAJGIK-UHFFFAOYSA-N 1 1 259.184 -0.195 20 5 CBBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000913537338 657496503 /nfs/dbraw/zinc/49/65/03/657496503.db2.gz DHRCZQFKPUQUES-DTORHVGOSA-N 1 1 280.288 -0.509 20 5 CBBDMO Cn1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC001020139095 658016724 /nfs/dbraw/zinc/01/67/24/658016724.db2.gz QHMJOYUWBLQVGJ-DDHJBXDOSA-N 1 1 293.327 -0.178 20 5 CBBDMO C[N@H+]1CCC[C@H](N2CCN(CC[N+](=O)[O-])CC2)C1 ZINC000929982367 659192006 /nfs/dbraw/zinc/19/20/06/659192006.db2.gz SSJMNWUQGNCSCK-LBPRGKRZSA-N 1 1 256.350 -0.025 20 5 CBBDMO C[N@H+]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1CO ZINC000931404434 659454627 /nfs/dbraw/zinc/45/46/27/659454627.db2.gz ZDEWHSUTSYTFIR-NSHDSACASA-N 1 1 269.305 -0.600 20 5 CBBDMO C[N@H+]1CCO[C@H]2CN(c3cc([N+](=O)[O-])cc[n+]3[O-])C[C@H]21 ZINC001164672016 719371202 /nfs/dbraw/zinc/37/12/02/719371202.db2.gz XXMQVJFCOCXTHX-MNOVXSKESA-N 1 1 280.284 -0.253 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccon2)c1 ZINC000148874507 790397908 /nfs/dbraw/zinc/39/79/08/790397908.db2.gz NBUVUAHSKNKIBK-JTQLQIEISA-N 1 1 267.245 -0.070 20 5 CBBDMO O=C(NCC1C[NH+](CCn2cccn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031660728 799530372 /nfs/dbraw/zinc/53/03/72/799530372.db2.gz QDAZHNNSBZDZKN-VXGBXAGGSA-N 1 1 293.327 -0.404 20 5 CBBDMO O=C(N[C@H]1CC[C@H]([NH2+]CCO)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034645822 799850667 /nfs/dbraw/zinc/85/06/67/799850667.db2.gz WTZILDHMNJAQCL-GWOFURMSSA-N 1 1 271.317 -0.339 20 5 CBBDMO CCn1cc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])nn1 ZINC001157775078 815466141 /nfs/dbraw/zinc/46/61/41/815466141.db2.gz LBXXWEOZNPOROW-GHMZBOCLSA-N 1 1 296.331 -0.441 20 5 CBBDMO COc1cc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])on1 ZINC001157767106 815463176 /nfs/dbraw/zinc/46/31/76/815463176.db2.gz HQPUXLZRTQVOJI-NXEZZACHSA-N 1 1 298.299 -0.056 20 5 CBBDMO COC(=O)c1cnc(-n2cnc(C[NH3+])n2)c([N+](=O)[O-])c1 ZINC001157928313 815483927 /nfs/dbraw/zinc/48/39/27/815483927.db2.gz HGTDHGUFHJMVKO-UHFFFAOYSA-N 1 1 278.228 -0.184 20 5 CBBDMO COC(=O)c1cc([N+](=O)[O-])cnc1-n1cnc(C[NH3+])n1 ZINC001157926626 815484267 /nfs/dbraw/zinc/48/42/67/815484267.db2.gz MJBYWOMUSVOAMU-UHFFFAOYSA-N 1 1 278.228 -0.184 20 5 CBBDMO C[N@H+]1CC[C@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC001116028382 812213964 /nfs/dbraw/zinc/21/39/64/812213964.db2.gz PQIIRPKVHZWQKR-MRVPVSSYSA-N 1 1 268.277 -0.746 20 5 CBBDMO Cc1[nH+]ccn1CCNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001116054650 812217319 /nfs/dbraw/zinc/21/73/19/812217319.db2.gz IBJNTUVNUMQUJP-UHFFFAOYSA-N 1 1 279.260 -0.492 20 5 CBBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC001116148010 812226806 /nfs/dbraw/zinc/22/68/06/812226806.db2.gz WKIGEMIOICBURC-SNVBAGLBSA-N 1 1 296.331 -0.014 20 5 CBBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NCC[NH+]1CC=CC1 ZINC001116431666 812259256 /nfs/dbraw/zinc/25/92/56/812259256.db2.gz JAALIBUEXJPAKH-UHFFFAOYSA-N 1 1 265.273 -0.070 20 5 CBBDMO O=[N+]([O-])c1cnc(N2CCN3CC[C@H]3C2)nc1C1C[NH2+]C1 ZINC001158435529 815529625 /nfs/dbraw/zinc/52/96/25/815529625.db2.gz DVFWLPHDPBWELI-JTQLQIEISA-N 1 1 290.327 -0.034 20 5 CBBDMO O=[N+]([O-])c1cnc(NC[C@H]2COCCN2)nc1C1C[NH2+]C1 ZINC001159049195 815557606 /nfs/dbraw/zinc/55/76/06/815557606.db2.gz KEHNLLZUDXPVIX-VIFPVBQESA-N 1 1 294.315 -0.528 20 5 CBBDMO O=C(NCC[NH2+]CCOCC(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC001126936815 813697212 /nfs/dbraw/zinc/69/72/12/813697212.db2.gz SJULPYQQQDHGIX-HTQZYQBOSA-N 1 1 281.259 -0.361 20 5 CBBDMO O=C(NCC[NH2+]Cc1cnns1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936975 813697998 /nfs/dbraw/zinc/69/79/98/813697998.db2.gz ZIPTWRCFRWSKDM-HTQZYQBOSA-N 1 1 271.302 -0.591 20 5 CBBDMO COc1nc(NCCN2CC[NH2+]CC2=O)ncc1[N+](=O)[O-] ZINC001161020166 815698741 /nfs/dbraw/zinc/69/87/41/815698741.db2.gz WVZZGDFEYGAHAN-UHFFFAOYSA-N 1 1 296.287 -0.763 20 5 CBBDMO Cc1nnc(CN)n1-c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001163353657 815882053 /nfs/dbraw/zinc/88/20/53/815882053.db2.gz LFBGNORQWNDVKZ-UHFFFAOYSA-N 1 1 290.287 -0.581 20 5 CBBDMO CN(CC[NH2+]CCn1cccn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001317584587 817023104 /nfs/dbraw/zinc/02/31/04/817023104.db2.gz DWFOTASMRFFQIH-GHMZBOCLSA-N 1 1 281.316 -0.404 20 5 CBBDMO C[C@@H]1C[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@H+]1C ZINC001318748126 817139258 /nfs/dbraw/zinc/13/92/58/817139258.db2.gz HNCKFAOSOPBTDH-BDAKNGLRSA-N 1 1 282.304 -0.215 20 5 CBBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)n1 ZINC001320222552 817297185 /nfs/dbraw/zinc/29/71/85/817297185.db2.gz BEXKOWWXFHXYDK-LLVKDONJSA-N 1 1 283.288 -0.875 20 5 CBBDMO Cc1nn(C)c(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001321134966 817447700 /nfs/dbraw/zinc/44/77/00/817447700.db2.gz CBFPSCRNUWPDSQ-GFCCVEGCSA-N 1 1 297.315 -0.567 20 5 CBBDMO NC(=O)[C@@H]1CN(c2cc(Cl)cc([N+](=O)[O-])n2)CC[NH2+]1 ZINC001166724099 820023439 /nfs/dbraw/zinc/02/34/39/820023439.db2.gz PTJCEZKWLALCFT-ZETCQYMHSA-N 1 1 285.691 -0.093 20 5 CBBDMO COc1cc(C)nc(N2CC[NH2+][C@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC001166724465 820026053 /nfs/dbraw/zinc/02/60/53/820026053.db2.gz BGULKNXIJRBVHU-QMMMGPOBSA-N 1 1 295.299 -0.430 20 5 CBBDMO NC(=O)c1cc([N+](=O)[O-])cnc1-n1cnc(C[NH3+])n1 ZINC001168749800 820174387 /nfs/dbraw/zinc/17/43/87/820174387.db2.gz MMRIOKLTNPCVFW-UHFFFAOYSA-N 1 1 263.217 -0.872 20 5 CBBDMO [NH3+]Cc1ncn(-c2ncnc3[nH]cc([N+](=O)[O-])c32)n1 ZINC001168750603 820174469 /nfs/dbraw/zinc/17/44/69/820174469.db2.gz QDNHBYYUOKCCOE-UHFFFAOYSA-N 1 1 260.217 -0.095 20 5 CBBDMO [NH3+]Cc1ncn(-c2cc([N+](=O)[O-])c3nncn3c2)n1 ZINC001168756686 820176831 /nfs/dbraw/zinc/17/68/31/820176831.db2.gz JPKKBOUAIYEPDB-UHFFFAOYSA-N 1 1 260.217 -0.323 20 5 CBBDMO O=C1COC[C@@H]2C[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CCN12 ZINC001169035519 820201283 /nfs/dbraw/zinc/20/12/83/820201283.db2.gz BRRJJNIHAYTJDF-SRVKXCTJSA-N 1 1 283.328 -0.025 20 5 CBBDMO C[C@@H]1C[N@H+](CCO)CCN1c1ncc([N+](=O)[O-])cn1 ZINC001186681374 821193149 /nfs/dbraw/zinc/19/31/49/821193149.db2.gz RNAHBPITWBTQMF-SECBINFHSA-N 1 1 267.289 -0.112 20 5 CBBDMO C[C@@H]1C[N@@H+](CCO)CCN1c1ncc([N+](=O)[O-])cn1 ZINC001186681374 821193153 /nfs/dbraw/zinc/19/31/53/821193153.db2.gz RNAHBPITWBTQMF-SECBINFHSA-N 1 1 267.289 -0.112 20 5 CBBDMO NC(=O)c1ccnc(N2CC([NH2+]C3COC3)C2)c1[N+](=O)[O-] ZINC001187724298 822288008 /nfs/dbraw/zinc/28/80/08/822288008.db2.gz FYANSJQJBSXCBP-UHFFFAOYSA-N 1 1 293.283 -0.734 20 5 CBBDMO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nccc(=O)[nH]1 ZINC001226323418 825275131 /nfs/dbraw/zinc/27/51/31/825275131.db2.gz DJTLUIOJNPVVBC-MRVPVSSYSA-O 1 1 256.282 -0.455 20 5 CBBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1c[nH]nc1[N+](=O)[O-] ZINC001261839610 826596100 /nfs/dbraw/zinc/59/61/00/826596100.db2.gz IOOZMQJXDKPLNT-ZETCQYMHSA-N 1 1 269.261 -0.886 20 5 CBBDMO O=C(NCCCCCC[NH2+]CCO)[C@@H]1CC1[N+](=O)[O-] ZINC001178464730 884706833 /nfs/dbraw/zinc/70/68/33/884706833.db2.gz ZSHNIHDJOMZNKY-GHMZBOCLSA-N 1 1 273.333 -0.090 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC=C[C@H]2CO)c1 ZINC001175678147 884695181 /nfs/dbraw/zinc/69/51/81/884695181.db2.gz MLDUXHNVKMTHGO-ONGXEEELSA-N 1 1 268.273 -0.615 20 5 CBBDMO O=C(NCC1=CC[NH2+]CC1)c1n[nH]cc1[N+](=O)[O-] ZINC001328505365 885707946 /nfs/dbraw/zinc/70/79/46/885707946.db2.gz ZUEKWUXYKGFRGX-UHFFFAOYSA-N 1 1 251.246 -0.033 20 5 CBBDMO C[N@H+]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@@H](CO)C1 ZINC001333037344 887508126 /nfs/dbraw/zinc/50/81/26/887508126.db2.gz DVUPXRHSSSKBAG-LLVKDONJSA-N 1 1 269.305 -0.600 20 5 CBBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC(CO)(CO)C2)n1 ZINC001333621726 887721215 /nfs/dbraw/zinc/72/12/15/887721215.db2.gz FFBXGAFIOXAOHK-UHFFFAOYSA-N 1 1 270.289 -0.532 20 5 CBBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1c[nH]nc1[N+](=O)[O-] ZINC001340015688 889365044 /nfs/dbraw/zinc/36/50/44/889365044.db2.gz FBYNRPMZSNOYTI-BDAKNGLRSA-N 1 1 295.299 -0.089 20 5 CBBDMO C[N@@H+]1CC[C@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001340178221 889405053 /nfs/dbraw/zinc/40/50/53/889405053.db2.gz FBJYXFQQJJKMAU-VIFPVBQESA-N 1 1 280.284 -0.423 20 5 CBBDMO C[N@H+]1CC[C@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001340178221 889405060 /nfs/dbraw/zinc/40/50/60/889405060.db2.gz FBJYXFQQJJKMAU-VIFPVBQESA-N 1 1 280.284 -0.423 20 5 CBBDMO CC[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])c(C(N)=O)n1 ZINC001346541450 890319861 /nfs/dbraw/zinc/31/98/61/890319861.db2.gz QKBWBRCBVKKTTC-ZETCQYMHSA-N 1 1 271.277 -0.797 20 5 CBBDMO O=C(NC[C@@H]1C[NH2+]CCO1)c1n[nH]cc1[N+](=O)[O-] ZINC001349271276 890786253 /nfs/dbraw/zinc/78/62/53/890786253.db2.gz JRJJZNDNCVQLCV-LURJTMIESA-N 1 1 255.234 -0.964 20 5 CBBDMO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1nnnn1C ZINC001356533396 891776422 /nfs/dbraw/zinc/77/64/22/891776422.db2.gz DECWMAAWRAUMRP-APPZFPTMSA-N 1 1 296.291 -0.974 20 5 CBBDMO CC(C)C[C@H](NCC[N+](=O)[O-])C(=O)NCC[NH+](C)C ZINC001356623410 891783181 /nfs/dbraw/zinc/78/31/81/891783181.db2.gz ZTEAKPFXIJYXDE-NSHDSACASA-N 1 1 274.365 -0.055 20 5 CBBDMO C[N@H+]1CCC[C@@H]1Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O ZINC001458892557 914688940 /nfs/dbraw/zinc/68/89/40/914688940.db2.gz JQQOQCPZZKWNIP-MRVPVSSYSA-N 1 1 280.284 -0.050 20 5 CBBDMO O=C1NC(=O)[C@@H]2C[N@H+](Cc3cccnc3[N+](=O)[O-])C[C@H]12 ZINC001460135407 914765497 /nfs/dbraw/zinc/76/54/97/914765497.db2.gz NLSRHWLKFRNALX-DTORHVGOSA-N 1 1 276.252 -0.306 20 5 CBBDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3cccnc3[N+](=O)[O-])C[C@H]12 ZINC001460135407 914765507 /nfs/dbraw/zinc/76/55/07/914765507.db2.gz NLSRHWLKFRNALX-DTORHVGOSA-N 1 1 276.252 -0.306 20 5 CBBDMO CCC1([NH2+]CC(N)=O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001502494241 921360792 /nfs/dbraw/zinc/36/07/92/921360792.db2.gz AKYBNSQIVMCKRT-NXEZZACHSA-N 1 1 298.343 -0.502 20 5 CBBDMO CC[N@@H+]1CCO[C@@H](C(=O)Nc2cc([N+](=O)[O-])n[nH]2)C1 ZINC001471840957 915647381 /nfs/dbraw/zinc/64/73/81/915647381.db2.gz BUKLDVDERUWNBT-SSDOTTSWSA-N 1 1 269.261 -0.023 20 5 CBBDMO CC[N@H+]1CCO[C@@H](C(=O)Nc2cc([N+](=O)[O-])n[nH]2)C1 ZINC001471840957 915647389 /nfs/dbraw/zinc/64/73/89/915647389.db2.gz BUKLDVDERUWNBT-SSDOTTSWSA-N 1 1 269.261 -0.023 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC([NH2+][C@H]2CCOC2)C1 ZINC001472083586 915690848 /nfs/dbraw/zinc/69/08/48/915690848.db2.gz ODHJUHFIHIUZNK-FXBDTBDDSA-N 1 1 255.274 -0.759 20 5 CBBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001473538948 915831229 /nfs/dbraw/zinc/83/12/29/915831229.db2.gz ZVCKJVAZXZSONQ-KOLCDFICSA-N 1 1 283.284 -0.959 20 5 CBBDMO CN(CC[N@@H+](C)CCO)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001557695438 924130190 /nfs/dbraw/zinc/13/01/90/924130190.db2.gz UDMGNQNWRQUWFO-UHFFFAOYSA-N 1 1 271.277 -0.686 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H](O)CC2)c1 ZINC000339782175 215337876 /nfs/dbraw/zinc/33/78/76/215337876.db2.gz WXKGXNOSZBQAGF-NEPJUHHUSA-N 1 1 284.316 -0.001 20 5 CBBDMO CNC(=O)C[NH+]1CCC(Nc2c([N+](=O)[O-])ncn2C)CC1 ZINC000025579854 351363974 /nfs/dbraw/zinc/36/39/74/351363974.db2.gz MDPAQLQETZFFIL-UHFFFAOYSA-N 1 1 296.331 -0.049 20 5 CBBDMO CC[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000044666717 351446840 /nfs/dbraw/zinc/44/68/40/351446840.db2.gz LVYGAGNAWAFOMM-UHFFFAOYSA-N 1 1 267.289 -0.045 20 5 CBBDMO O=C([C@H]1CC1[N+](=O)[O-])N1CC[NH+](C2CCOCC2)CC1 ZINC000081035501 351703182 /nfs/dbraw/zinc/70/31/82/351703182.db2.gz UDBMVQSVNDNUIZ-NWDGAFQWSA-N 1 1 283.328 -0.025 20 5 CBBDMO CCNC(=O)C[N@@H+](CC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075598041 351668070 /nfs/dbraw/zinc/66/80/70/351668070.db2.gz KZJSVSZXWWWBNB-NSHDSACASA-N 1 1 299.331 -0.390 20 5 CBBDMO CN1CC[C@@H]([N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O ZINC000075752623 351670978 /nfs/dbraw/zinc/67/09/78/351670978.db2.gz GCMHBXPWGNENKT-WDEREUQCSA-N 1 1 297.315 -0.685 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000075716053 351671617 /nfs/dbraw/zinc/67/16/17/351671617.db2.gz XSIBUVVPAZYNGT-KOLCDFICSA-N 1 1 270.289 -0.391 20 5 CBBDMO CNC(=O)[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090519162 351740840 /nfs/dbraw/zinc/74/08/40/351740840.db2.gz IYVMZOYMNZWXCF-NSHDSACASA-N 1 1 294.311 -0.033 20 5 CBBDMO CNC(=O)[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090519162 351740844 /nfs/dbraw/zinc/74/08/44/351740844.db2.gz IYVMZOYMNZWXCF-NSHDSACASA-N 1 1 294.311 -0.033 20 5 CBBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[NH+](CCO)CC1 ZINC000097682008 351778943 /nfs/dbraw/zinc/77/89/43/351778943.db2.gz FBMNFFMJTFMQEG-UHFFFAOYSA-N 1 1 297.315 -0.682 20 5 CBBDMO CCC[N@@H+](CCO)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174658245 352049858 /nfs/dbraw/zinc/04/98/58/352049858.db2.gz CFACLRWXHQWGJY-NSHDSACASA-N 1 1 272.305 -0.144 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000173365744 352036458 /nfs/dbraw/zinc/03/64/58/352036458.db2.gz CCJMQDKFHNTXMF-DGCLKSJQSA-N 1 1 295.343 -0.068 20 5 CBBDMO NC(=O)[C@H]1CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173504029 352038036 /nfs/dbraw/zinc/03/80/36/352038036.db2.gz DTQWTBJGORLVGS-WDEREUQCSA-N 1 1 297.315 -0.508 20 5 CBBDMO NC(=O)[C@H]1CCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173504029 352038039 /nfs/dbraw/zinc/03/80/39/352038039.db2.gz DTQWTBJGORLVGS-WDEREUQCSA-N 1 1 297.315 -0.508 20 5 CBBDMO CCC[N@H+](CC(=O)NC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173556335 352039291 /nfs/dbraw/zinc/03/92/91/352039291.db2.gz GQEBADFMFMINHS-NSHDSACASA-N 1 1 299.331 -0.390 20 5 CBBDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1O ZINC000186783733 352131700 /nfs/dbraw/zinc/13/17/00/352131700.db2.gz YWLVQTFFFGLTPC-USWWRNFRSA-N 1 1 284.316 -0.145 20 5 CBBDMO C[N@@H+]1C[C@H]2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@H]2C1 ZINC000192523095 352197829 /nfs/dbraw/zinc/19/78/29/352197829.db2.gz CHGYDZOZHRFYTB-AOOOYVTPSA-N 1 1 279.300 -0.189 20 5 CBBDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1CO ZINC000190906703 352184976 /nfs/dbraw/zinc/18/49/76/352184976.db2.gz JUQJNGNJBWVYKM-SCVCMEIPSA-N 1 1 284.316 -0.288 20 5 CBBDMO C[C@H](O)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C)CO ZINC000190919020 352185168 /nfs/dbraw/zinc/18/51/68/352185168.db2.gz NDNZQPUZEQHOCY-UWVGGRQHSA-N 1 1 272.305 -0.145 20 5 CBBDMO C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@H+]1CCO ZINC000187696486 352141385 /nfs/dbraw/zinc/14/13/85/352141385.db2.gz KYACOVYKPWDWAA-NSHDSACASA-N 1 1 283.332 -0.210 20 5 CBBDMO C[C@H](CO)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H](C)O ZINC000248885720 352357765 /nfs/dbraw/zinc/35/77/65/352357765.db2.gz DXRGRXIZCHQSOF-MNOVXSKESA-N 1 1 299.327 -0.180 20 5 CBBDMO COCC[NH+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000263964915 352444820 /nfs/dbraw/zinc/44/48/20/352444820.db2.gz RCUIFRZOYSNLGJ-UHFFFAOYSA-N 1 1 282.304 -0.265 20 5 CBBDMO CCc1[nH]nc(C(=O)N2CCN(CCO)CC2)c1[N+](=O)[O-] ZINC000269335925 352467068 /nfs/dbraw/zinc/46/70/68/352467068.db2.gz BIXWFTJVZLNPIW-UHFFFAOYSA-N 1 1 297.315 -0.370 20 5 CBBDMO CN1CC[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1=O ZINC000270604083 352497017 /nfs/dbraw/zinc/49/70/17/352497017.db2.gz XOSQOSXAWAJPCE-NSHDSACASA-N 1 1 294.311 -0.081 20 5 CBBDMO CN1CC[C@H]([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1=O ZINC000270604083 352497020 /nfs/dbraw/zinc/49/70/20/352497020.db2.gz XOSQOSXAWAJPCE-NSHDSACASA-N 1 1 294.311 -0.081 20 5 CBBDMO COCC[N@H+]1CC[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000270805812 352502083 /nfs/dbraw/zinc/50/20/83/352502083.db2.gz VMZJXYZDPNZQDL-QMMMGPOBSA-N 1 1 283.288 -0.232 20 5 CBBDMO COCC[N@@H+]1CC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000270805812 352502087 /nfs/dbraw/zinc/50/20/87/352502087.db2.gz VMZJXYZDPNZQDL-QMMMGPOBSA-N 1 1 283.288 -0.232 20 5 CBBDMO COCC[N@H+]1CC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000270805812 352502089 /nfs/dbraw/zinc/50/20/89/352502089.db2.gz VMZJXYZDPNZQDL-QMMMGPOBSA-N 1 1 283.288 -0.232 20 5 CBBDMO CC[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1O ZINC000271011003 352506876 /nfs/dbraw/zinc/50/68/76/352506876.db2.gz ZTRCZUQHSIEYRD-YUSALJHKSA-N 1 1 284.316 -0.145 20 5 CBBDMO COC[C@H]1CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000293516160 352693371 /nfs/dbraw/zinc/69/33/71/352693371.db2.gz IJIWMWSMMXDVDX-MWLCHTKSSA-N 1 1 270.289 -0.127 20 5 CBBDMO C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000298318825 352711365 /nfs/dbraw/zinc/71/13/65/352711365.db2.gz ZJFGRBZRTVOGHZ-UHFFFAOYSA-N 1 1 265.273 -0.160 20 5 CBBDMO C[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000298658139 352714197 /nfs/dbraw/zinc/71/41/97/352714197.db2.gz BNHBUVWUYVBANE-UHFFFAOYSA-N 1 1 280.284 -0.470 20 5 CBBDMO CC[NH+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000298684991 352714283 /nfs/dbraw/zinc/71/42/83/352714283.db2.gz BCIFJAUIDGYYAF-UHFFFAOYSA-N 1 1 267.289 -0.045 20 5 CBBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H](O)C1CC1 ZINC000304788102 352747429 /nfs/dbraw/zinc/74/74/29/352747429.db2.gz QBJUAQXSWKBRAO-VXGBXAGGSA-N 1 1 284.316 -0.145 20 5 CBBDMO CO[C@H]1C[C@@H](CO)[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000330557252 352847956 /nfs/dbraw/zinc/84/79/56/352847956.db2.gz WHSYBHGGRHAETD-ONGXEEELSA-N 1 1 270.289 -0.127 20 5 CBBDMO C[C@H]1C[N@@H+](C)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331256444 352897633 /nfs/dbraw/zinc/89/76/33/352897633.db2.gz WKMZPVSXSYSIOG-JQWIXIFHSA-N 1 1 283.332 -0.212 20 5 CBBDMO C[C@H]1CN(C)CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331256444 352897635 /nfs/dbraw/zinc/89/76/35/352897635.db2.gz WKMZPVSXSYSIOG-JQWIXIFHSA-N 1 1 283.332 -0.212 20 5 CBBDMO C[C@H]1CN(C)CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331256444 352897637 /nfs/dbraw/zinc/89/76/37/352897637.db2.gz WKMZPVSXSYSIOG-JQWIXIFHSA-N 1 1 283.332 -0.212 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@](F)(CO)C2)c1 ZINC000338597870 353107923 /nfs/dbraw/zinc/10/79/23/353107923.db2.gz YLCSMJFNSZZEPI-GHMZBOCLSA-N 1 1 288.279 -0.442 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@](F)(CO)C2)c1 ZINC000338597870 353107928 /nfs/dbraw/zinc/10/79/28/353107928.db2.gz YLCSMJFNSZZEPI-GHMZBOCLSA-N 1 1 288.279 -0.442 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](CCO)CC2CC2)c1 ZINC000352469826 353486343 /nfs/dbraw/zinc/48/63/43/353486343.db2.gz ZOEQUSXEQDOEGB-GFCCVEGCSA-N 1 1 284.316 -0.144 20 5 CBBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000354689422 353578296 /nfs/dbraw/zinc/57/82/96/353578296.db2.gz WNKBFQBSMIKHQY-SNVBAGLBSA-N 1 1 269.261 -0.886 20 5 CBBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000358056212 353622625 /nfs/dbraw/zinc/62/26/25/353622625.db2.gz ZWVNSVALGUWFPQ-LLVKDONJSA-N 1 1 268.273 -0.281 20 5 CBBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000358080969 353625536 /nfs/dbraw/zinc/62/55/36/353625536.db2.gz QSKLAPISBDDRLF-GFCCVEGCSA-N 1 1 295.299 -0.632 20 5 CBBDMO C[N@H+]1CC[C@](O)(CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000358324664 353638301 /nfs/dbraw/zinc/63/83/01/353638301.db2.gz UUEDIVCJUNDTAM-JTQLQIEISA-N 1 1 253.262 -0.137 20 5 CBBDMO C[N@H+]1CC[C@@](O)(CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000358486688 353647633 /nfs/dbraw/zinc/64/76/33/353647633.db2.gz UYYYELJUJGXTAO-GFCCVEGCSA-N 1 1 295.299 -0.400 20 5 CBBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000445207101 354280530 /nfs/dbraw/zinc/28/05/30/354280530.db2.gz BTWBDDAQXJXPGG-GFCCVEGCSA-N 1 1 296.283 -0.508 20 5 CBBDMO CC[C@@]1(O)CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000495194073 354499521 /nfs/dbraw/zinc/49/95/21/354499521.db2.gz NNGSRXUOCYYIJJ-VXGBXAGGSA-N 1 1 284.316 -0.001 20 5 CBBDMO C[C@@]1(CO)CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000546103499 354651214 /nfs/dbraw/zinc/65/12/14/354651214.db2.gz CQLVOSLTFGABDJ-RYUDHWBXSA-N 1 1 284.316 -0.001 20 5 CBBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCn3nncc3C2)c1 ZINC000570580520 354865215 /nfs/dbraw/zinc/86/52/15/354865215.db2.gz YLAQDHKPEBNWDI-UHFFFAOYSA-N 1 1 263.261 -0.101 20 5 CBBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCn3nncc3C2)c1 ZINC000570580520 354865218 /nfs/dbraw/zinc/86/52/18/354865218.db2.gz YLAQDHKPEBNWDI-UHFFFAOYSA-N 1 1 263.261 -0.101 20 5 CBBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1 ZINC000590005471 355072311 /nfs/dbraw/zinc/07/23/11/355072311.db2.gz ZGSLXJNKZGVLBZ-URLYPYJESA-N 1 1 252.274 -0.039 20 5 CBBDMO C[N@H+]1C[C@H]2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)[C@H]2C1 ZINC000590444954 355080906 /nfs/dbraw/zinc/08/09/06/355080906.db2.gz OJFQGWXGKHSYFP-ZJUUUORDSA-N 1 1 279.300 -0.046 20 5 CBBDMO C[NH+](C)C1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593574209 355210437 /nfs/dbraw/zinc/21/04/37/355210437.db2.gz MVYQYFOOEADEGJ-UHFFFAOYSA-N 1 1 286.313 -0.076 20 5 CBBDMO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593856470 355223326 /nfs/dbraw/zinc/22/33/26/355223326.db2.gz XWCGMSXJQQMVIA-SECBINFHSA-N 1 1 280.284 -0.186 20 5 CBBDMO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593856470 355223328 /nfs/dbraw/zinc/22/33/28/355223328.db2.gz XWCGMSXJQQMVIA-SECBINFHSA-N 1 1 280.284 -0.186 20 5 CBBDMO CN1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1=O ZINC000595784366 355307446 /nfs/dbraw/zinc/30/74/46/355307446.db2.gz TUXYYUXVZZEBSL-LLVKDONJSA-N 1 1 297.315 -0.684 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC3(COC3)C2)c1 ZINC000595832159 355310828 /nfs/dbraw/zinc/31/08/28/355310828.db2.gz CRCAHUKYZIBYRK-LLVKDONJSA-N 1 1 282.300 -0.126 20 5 CBBDMO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC(C[NH+]2CCOCC2)C1 ZINC000597681829 355408820 /nfs/dbraw/zinc/40/88/20/355408820.db2.gz INNRYSUYLAQIEK-UHFFFAOYSA-N 1 1 295.299 -0.278 20 5 CBBDMO CCC[N@H+]1CC[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000598343069 355438643 /nfs/dbraw/zinc/43/86/43/355438643.db2.gz RYZMGYWAGITRNU-VIFPVBQESA-N 1 1 282.304 -0.213 20 5 CBBDMO CC[NH2+]CCCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599097955 355463637 /nfs/dbraw/zinc/46/36/37/355463637.db2.gz OGSRLKAHXWNBEW-UHFFFAOYSA-N 1 1 291.333 -0.394 20 5 CBBDMO NC(=O)c1ccnc(NCC[N@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000599176019 355470007 /nfs/dbraw/zinc/47/00/07/355470007.db2.gz OKHIAWRGIODUPT-MRVPVSSYSA-N 1 1 295.299 -0.433 20 5 CBBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1C[C@@H](O)C1 ZINC000599670376 355508093 /nfs/dbraw/zinc/50/80/93/355508093.db2.gz FGCPQDXXUYDYHF-WCQGTBRESA-N 1 1 284.316 -0.145 20 5 CBBDMO C[C@@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000602625585 355665531 /nfs/dbraw/zinc/66/55/31/355665531.db2.gz TXEOQUOFCOXKHH-SNVBAGLBSA-N 1 1 283.332 -0.173 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@@H]3COC[C@@H]3C2)c1 ZINC000601973328 355623679 /nfs/dbraw/zinc/62/36/79/355623679.db2.gz KMSUOHVKUNXNAZ-JFGNBEQYSA-N 1 1 282.300 -0.270 20 5 CBBDMO CC[N@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H]1C ZINC000611088430 355793649 /nfs/dbraw/zinc/79/36/49/355793649.db2.gz VBSXFFCRNSCEMG-SECBINFHSA-N 1 1 282.304 -0.261 20 5 CBBDMO NC(=O)[C@H]1CN(c2sccc2[N+](=O)[O-])CC[NH2+]1 ZINC000611411413 355802234 /nfs/dbraw/zinc/80/22/34/355802234.db2.gz UGZMEZOKCQCWKY-ZCFIWIBFSA-N 1 1 256.287 -0.080 20 5 CBBDMO CCC[N@@H+](CCO)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174658261 188912052 /nfs/dbraw/zinc/91/20/52/188912052.db2.gz CFACLRWXHQWGJY-LLVKDONJSA-N 1 1 272.305 -0.144 20 5 CBBDMO NC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000296486725 283355937 /nfs/dbraw/zinc/35/59/37/283355937.db2.gz NKBJDCJUNCXCDQ-SNVBAGLBSA-N 1 1 250.258 -0.142 20 5 CBBDMO C[C@@H](O)C[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000275420472 193030837 /nfs/dbraw/zinc/03/08/37/193030837.db2.gz IQMHPWZGQDBZFJ-SNVBAGLBSA-N 1 1 297.315 -0.684 20 5 CBBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H](C)C1 ZINC000330601653 203025485 /nfs/dbraw/zinc/02/54/85/203025485.db2.gz IMDLMORWBXKAMG-DTWKUNHWSA-N 1 1 297.315 -0.155 20 5 CBBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H](C)C1 ZINC000330601653 203025489 /nfs/dbraw/zinc/02/54/89/203025489.db2.gz IMDLMORWBXKAMG-DTWKUNHWSA-N 1 1 297.315 -0.155 20 5 CBBDMO CC(C)(O)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000330609489 203033935 /nfs/dbraw/zinc/03/39/35/203033935.db2.gz NVKNGRVDMGBVPS-UHFFFAOYSA-N 1 1 297.315 -0.153 20 5 CBBDMO COC(=O)[C@H]1CN(c2ncc([N+](=O)[O-])cn2)CC[N@H+](C)C1 ZINC000413511456 373622602 /nfs/dbraw/zinc/62/26/02/373622602.db2.gz ZQFLNKCMYYTSBX-SECBINFHSA-N 1 1 295.299 -0.074 20 5 CBBDMO COC(=O)[C@H]1CN(c2ncc([N+](=O)[O-])cn2)CC[N@@H+](C)C1 ZINC000413511456 373622610 /nfs/dbraw/zinc/62/26/10/373622610.db2.gz ZQFLNKCMYYTSBX-SECBINFHSA-N 1 1 295.299 -0.074 20 5 CBBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c1 ZINC000554744084 374283074 /nfs/dbraw/zinc/28/30/74/374283074.db2.gz WBDPDCHIKUVTOO-KOLCDFICSA-N 1 1 270.289 -0.534 20 5 CBBDMO COCC[N@H+]1CC[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000264558006 190118403 /nfs/dbraw/zinc/11/84/03/190118403.db2.gz QEXMIKQXHSRSIR-SNVBAGLBSA-N 1 1 297.315 -0.372 20 5 CBBDMO COC(=O)[C@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266515205 190263366 /nfs/dbraw/zinc/26/33/66/190263366.db2.gz YRTIZBCRZFMQFT-GXSJLCMTSA-N 1 1 298.299 -0.353 20 5 CBBDMO C[C@@H](O)CC[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266512027 190262905 /nfs/dbraw/zinc/26/29/05/190262905.db2.gz BMQQXPAEODFRPC-KOLCDFICSA-N 1 1 272.305 -0.145 20 5 CBBDMO COCC[N@@H+](CCO)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266526954 190264180 /nfs/dbraw/zinc/26/41/80/190264180.db2.gz KRSXHSKWYJXETH-NSHDSACASA-N 1 1 288.304 -0.907 20 5 CBBDMO O=[N+]([O-])c1cnn(CC[N@H+](CCO)CCCO)c1 ZINC000266935158 190291866 /nfs/dbraw/zinc/29/18/66/190291866.db2.gz NWWAMPBFKCQMAL-UHFFFAOYSA-N 1 1 258.278 -0.532 20 5 CBBDMO C[N@H+]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000438796718 208312857 /nfs/dbraw/zinc/31/28/57/208312857.db2.gz XHAHHXKNSSGKJJ-LBPRGKRZSA-N 1 1 283.332 -0.210 20 5 CBBDMO CN1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000438796718 208312864 /nfs/dbraw/zinc/31/28/64/208312864.db2.gz XHAHHXKNSSGKJJ-LBPRGKRZSA-N 1 1 283.332 -0.210 20 5 CBBDMO CN1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000438796718 208312869 /nfs/dbraw/zinc/31/28/69/208312869.db2.gz XHAHHXKNSSGKJJ-LBPRGKRZSA-N 1 1 283.332 -0.210 20 5 CBBDMO O=[N+]([O-])c1cnc(N2CC[N@@H+]3CCOC[C@@H]3C2)nc1 ZINC000363906222 285175301 /nfs/dbraw/zinc/17/53/01/285175301.db2.gz GGSVYKPZUGICPU-JTQLQIEISA-N 1 1 265.273 -0.094 20 5 CBBDMO O=[N+]([O-])c1cnc(N2CC[N@H+]3CCOC[C@@H]3C2)nc1 ZINC000363906222 285175302 /nfs/dbraw/zinc/17/53/02/285175302.db2.gz GGSVYKPZUGICPU-JTQLQIEISA-N 1 1 265.273 -0.094 20 5 CBBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](CCO)CCCO ZINC000090548690 285221230 /nfs/dbraw/zinc/22/12/30/285221230.db2.gz GVNZTYRVWGSZGM-UHFFFAOYSA-N 1 1 285.300 -0.567 20 5 CBBDMO C[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285076690 196191451 /nfs/dbraw/zinc/19/14/51/196191451.db2.gz MCBSDKLYQVMCSX-SSDOTTSWSA-N 1 1 253.262 -0.001 20 5 CBBDMO CC(C)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(N)=O ZINC000090511900 419472573 /nfs/dbraw/zinc/47/25/73/419472573.db2.gz UOPJBDXJSLWCEQ-UHFFFAOYSA-N 1 1 282.300 -0.048 20 5 CBBDMO CC(C)[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(N)=O ZINC000090511900 419472579 /nfs/dbraw/zinc/47/25/79/419472579.db2.gz UOPJBDXJSLWCEQ-UHFFFAOYSA-N 1 1 282.300 -0.048 20 5 CBBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@]1(CO)CCOC1 ZINC000359608344 419976732 /nfs/dbraw/zinc/97/67/32/419976732.db2.gz ZAQFOFDBNDQLKL-ZDUSSCGKSA-N 1 1 297.311 -0.160 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](N2CCNCC2=O)C1 ZINC000364512467 420041863 /nfs/dbraw/zinc/04/18/63/420041863.db2.gz XLFYTUVQUGYDSZ-AXFHLTTASA-N 1 1 296.327 -0.926 20 5 CBBDMO O=[N+]([O-])c1cnc(NCC[N@H+]2CC[C@@H](O)C2)s1 ZINC000599175420 420491339 /nfs/dbraw/zinc/49/13/39/420491339.db2.gz AUPGIDGRYNBHBA-SSDOTTSWSA-N 1 1 258.303 0.530 20 5 CBBDMO O=[N+]([O-])c1cnc(NCC[N@@H+]2CC[C@@H](O)C2)s1 ZINC000599175420 420491340 /nfs/dbraw/zinc/49/13/40/420491340.db2.gz AUPGIDGRYNBHBA-SSDOTTSWSA-N 1 1 258.303 0.530 20 5 CBBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000563645574 328080685 /nfs/dbraw/zinc/08/06/85/328080685.db2.gz FGGUXFZLCYBBMW-SECBINFHSA-N 1 1 282.304 -0.261 20 5 CBBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000564188811 333240619 /nfs/dbraw/zinc/24/06/19/333240619.db2.gz PUQHZCLKJOXOKF-MRVPVSSYSA-N 1 1 283.288 -0.232 20 5 CBBDMO C[N@H+]1CC[C@](O)(CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000357451133 536482099 /nfs/dbraw/zinc/48/20/99/536482099.db2.gz FTMUKDCJFXOPSC-LBPRGKRZSA-N 1 1 295.299 -0.433 20 5 CBBDMO CC(C)[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@H+]1C ZINC000490298647 528723443 /nfs/dbraw/zinc/72/34/43/528723443.db2.gz KTSKFNLLSKROKU-JTQLQIEISA-N 1 1 296.331 -0.015 20 5 CBBDMO NC(=O)C[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000808227277 582442513 /nfs/dbraw/zinc/44/25/13/582442513.db2.gz AMIWNRLXJDIMNV-MRVPVSSYSA-N 1 1 253.262 -0.054 20 5 CBBDMO NC(=O)C[C@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000808227277 582442514 /nfs/dbraw/zinc/44/25/14/582442514.db2.gz AMIWNRLXJDIMNV-MRVPVSSYSA-N 1 1 253.262 -0.054 20 5 CBBDMO O=C(NCCNc1cc[nH+]cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839554121 583156424 /nfs/dbraw/zinc/15/64/24/583156424.db2.gz VPKZAFFTJFEWLE-NXEZZACHSA-N 1 1 250.258 -0.303 20 5 CBBDMO COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839666451 583157474 /nfs/dbraw/zinc/15/74/74/583157474.db2.gz NDVRNRPPBOLDOJ-IVZWLZJFSA-N 1 1 257.290 -0.512 20 5 CBBDMO COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839666451 583157477 /nfs/dbraw/zinc/15/74/77/583157477.db2.gz NDVRNRPPBOLDOJ-IVZWLZJFSA-N 1 1 257.290 -0.512 20 5 CBBDMO COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839666451 583157480 /nfs/dbraw/zinc/15/74/80/583157480.db2.gz NDVRNRPPBOLDOJ-IVZWLZJFSA-N 1 1 257.290 -0.512 20 5 CBBDMO NC(=O)[C@@]1([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000847052790 583397374 /nfs/dbraw/zinc/39/73/74/583397374.db2.gz GHNBIEDINLSPDI-WCQYABFASA-N 1 1 295.295 -0.138 20 5 CBBDMO CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000855417451 583638907 /nfs/dbraw/zinc/63/89/07/583638907.db2.gz GYWDNRQFIDKHAB-GHMZBOCLSA-N 1 1 272.349 -0.349 20 5 CBBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000861720317 583781311 /nfs/dbraw/zinc/78/13/11/583781311.db2.gz XVDNSIFNMFJXHP-UKKRHICBSA-N 1 1 269.301 -0.681 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861720317 583781314 /nfs/dbraw/zinc/78/13/14/583781314.db2.gz XVDNSIFNMFJXHP-UKKRHICBSA-N 1 1 269.301 -0.681 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000861720317 583781316 /nfs/dbraw/zinc/78/13/16/583781316.db2.gz XVDNSIFNMFJXHP-UKKRHICBSA-N 1 1 269.301 -0.681 20 5 CBBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000874846358 584092994 /nfs/dbraw/zinc/09/29/94/584092994.db2.gz YCOXGBXFKMCFSV-ZJUUUORDSA-N 1 1 294.315 -0.119 20 5 CBBDMO Cc1nn(C)c(NCC[N@@H+](C)CCO)c1[N+](=O)[O-] ZINC000884823797 584404016 /nfs/dbraw/zinc/40/40/16/584404016.db2.gz FOTXBOUXHRCQLM-UHFFFAOYSA-N 1 1 257.294 -0.027 20 5 CBBDMO C[C@@H](O)C[NH+]1CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC000892316745 584615086 /nfs/dbraw/zinc/61/50/86/584615086.db2.gz WHFPLSYTIJPFRJ-SECBINFHSA-N 1 1 269.305 -0.169 20 5 CBBDMO Cn1ncc([N+](=O)[O-])c1NC[C@]1(O)CC[N@@H+](C)C1 ZINC000893186784 584636491 /nfs/dbraw/zinc/63/64/91/584636491.db2.gz FCBRFNPWAPTIEK-SNVBAGLBSA-N 1 1 255.278 -0.193 20 5 CBBDMO C[NH2+]CCCN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000923377023 658244986 /nfs/dbraw/zinc/24/49/86/658244986.db2.gz FBIWYWSWTRBEQA-LLVKDONJSA-N 1 1 271.321 -0.307 20 5 CBBDMO C[C@H]1[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[N@H+]1C ZINC000928447579 659023010 /nfs/dbraw/zinc/02/30/10/659023010.db2.gz KZNJUUDLIITELC-ONGXEEELSA-N 1 1 294.311 -0.035 20 5 CBBDMO C[C@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000905146920 656341184 /nfs/dbraw/zinc/34/11/84/656341184.db2.gz SWBMKHFKJYEZIX-WCBMZHEXSA-N 1 1 267.289 -0.220 20 5 CBBDMO O=C(NC1CC[NH+](CCCO)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002788085 656841075 /nfs/dbraw/zinc/84/10/75/656841075.db2.gz NDOKGKSWEBVELI-GHMZBOCLSA-N 1 1 271.317 -0.385 20 5 CBBDMO C[N@@H+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H](CO)C1 ZINC000912736983 657324033 /nfs/dbraw/zinc/32/40/33/657324033.db2.gz DOUVCMZQVPNALQ-SNVBAGLBSA-N 1 1 273.333 -0.043 20 5 CBBDMO C[N@H+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H](CO)C1 ZINC000912736983 657324044 /nfs/dbraw/zinc/32/40/44/657324044.db2.gz DOUVCMZQVPNALQ-SNVBAGLBSA-N 1 1 273.333 -0.043 20 5 CBBDMO O=C(N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139764 658016387 /nfs/dbraw/zinc/01/63/87/658016387.db2.gz MKYULPGVVYHAAN-GWOFURMSSA-N 1 1 294.315 -0.820 20 5 CBBDMO C[N@H+]1CC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000928563778 659046938 /nfs/dbraw/zinc/04/69/38/659046938.db2.gz RINICIQSAGTWDG-SECBINFHSA-N 1 1 280.284 -0.423 20 5 CBBDMO C[N@H+]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1CO ZINC000931407302 659454869 /nfs/dbraw/zinc/45/48/69/659454869.db2.gz HNPUUDVFGMLKNC-JTQLQIEISA-N 1 1 269.305 -0.600 20 5 CBBDMO COc1nc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)ncc1[N+](=O)[O-] ZINC001164667111 719368696 /nfs/dbraw/zinc/36/86/96/719368696.db2.gz IBYMRGQTPSWDLP-ZJUUUORDSA-N 1 1 295.299 -0.087 20 5 CBBDMO COc1nc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164667110 719369165 /nfs/dbraw/zinc/36/91/65/719369165.db2.gz IBYMRGQTPSWDLP-VHSXEESVSA-N 1 1 295.299 -0.087 20 5 CBBDMO Cn1ccnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001022061559 790987432 /nfs/dbraw/zinc/98/74/32/790987432.db2.gz OCZVDOLBSBLCTQ-LMLFDSFASA-N 1 1 293.327 -0.178 20 5 CBBDMO COCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001048812581 801971181 /nfs/dbraw/zinc/97/11/81/801971181.db2.gz LHJISIVZOYYSAP-WRWGMCAJSA-N 1 1 283.328 -0.312 20 5 CBBDMO COCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001048812581 801971188 /nfs/dbraw/zinc/97/11/88/801971188.db2.gz LHJISIVZOYYSAP-WRWGMCAJSA-N 1 1 283.328 -0.312 20 5 CBBDMO COCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001048812581 801971193 /nfs/dbraw/zinc/97/11/93/801971193.db2.gz LHJISIVZOYYSAP-WRWGMCAJSA-N 1 1 283.328 -0.312 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[NH+](CCCO)CC2 ZINC001050516982 802066949 /nfs/dbraw/zinc/06/69/49/802066949.db2.gz LRRZMTAMDMKQQS-VXGBXAGGSA-N 1 1 297.355 -0.042 20 5 CBBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@H+](CCCO)C2 ZINC001072726010 805331703 /nfs/dbraw/zinc/33/17/03/805331703.db2.gz XELFBUMBVHOUGC-GHMZBOCLSA-N 1 1 283.328 -0.432 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](CCCO)C2 ZINC001072726010 805331710 /nfs/dbraw/zinc/33/17/10/805331710.db2.gz XELFBUMBVHOUGC-GHMZBOCLSA-N 1 1 283.328 -0.432 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[N@H+](CCCO)C2 ZINC001072726010 805331718 /nfs/dbraw/zinc/33/17/18/805331718.db2.gz XELFBUMBVHOUGC-GHMZBOCLSA-N 1 1 283.328 -0.432 20 5 CBBDMO N=c1cc(C[NH3+])ncn1-c1ccc([N+](=O)[O-])c(N)n1 ZINC001156624047 815369881 /nfs/dbraw/zinc/36/98/81/815369881.db2.gz JGPOWVPOCYBAFD-UHFFFAOYSA-N 1 1 261.245 -0.304 20 5 CBBDMO COCCC[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157767769 815462613 /nfs/dbraw/zinc/46/26/13/815462613.db2.gz TWIAYFGMARAVPR-NXEZZACHSA-N 1 1 259.306 -0.216 20 5 CBBDMO O=C(NCCC[NH2+]CCn1cccn1)[C@@H]1CC1[N+](=O)[O-] ZINC001157767575 815463189 /nfs/dbraw/zinc/46/31/89/815463189.db2.gz QZYZQTVXEHKEPX-GHMZBOCLSA-N 1 1 281.316 -0.356 20 5 CBBDMO CC[N@@H+](CCO)CCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC001116626566 812287085 /nfs/dbraw/zinc/28/70/85/812287085.db2.gz YPESYPIXEOOYLE-UHFFFAOYSA-N 1 1 285.304 -0.628 20 5 CBBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001118382774 812542446 /nfs/dbraw/zinc/54/24/46/812542446.db2.gz PPCHMVMUBCBLHF-DTWKUNHWSA-N 1 1 295.299 -0.781 20 5 CBBDMO C[NH+]1CC2(CN(c3cc([N+](=O)[O-])cc[n+]3[O-])C2)C1 ZINC001158860203 815550510 /nfs/dbraw/zinc/55/05/10/815550510.db2.gz ZQCMPLPVYXHNMR-UHFFFAOYSA-N 1 1 250.258 -0.020 20 5 CBBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+]2C)n1 ZINC001120080012 812930280 /nfs/dbraw/zinc/93/02/80/812930280.db2.gz VGEKJQTYYJJNGU-SSDOTTSWSA-N 1 1 253.262 -0.238 20 5 CBBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+]2C)n1 ZINC001120080012 812930284 /nfs/dbraw/zinc/93/02/84/812930284.db2.gz VGEKJQTYYJJNGU-SSDOTTSWSA-N 1 1 253.262 -0.238 20 5 CBBDMO CCn1c(C[N+](=O)[O-])nnc1N1CC[NH+](CCOC)CC1 ZINC001121698864 813074357 /nfs/dbraw/zinc/07/43/57/813074357.db2.gz GSERONZRSYATHV-UHFFFAOYSA-N 1 1 298.347 -0.157 20 5 CBBDMO Cn1cc(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001126932030 813695328 /nfs/dbraw/zinc/69/53/28/813695328.db2.gz FTFLOTZXDOQJMJ-NXEZZACHSA-N 1 1 267.289 -0.709 20 5 CBBDMO CC(C)CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126938941 813696892 /nfs/dbraw/zinc/69/68/92/813696892.db2.gz OIIPCGIMRDBWNI-NXEZZACHSA-N 1 1 286.332 -0.870 20 5 CBBDMO CCn1nncc1C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126936256 813697627 /nfs/dbraw/zinc/69/76/27/813697627.db2.gz CZPOGAJEBNDHEQ-NXEZZACHSA-N 1 1 282.304 -0.831 20 5 CBBDMO O=C(NCC[NH2+]CCOCC1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001126939420 813697741 /nfs/dbraw/zinc/69/77/41/813697741.db2.gz XTMQZUHGYAXNFT-GHMZBOCLSA-N 1 1 271.317 -0.216 20 5 CBBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cnc([N+](=O)[O-])n3)C[C@@H]21 ZINC001129073892 813818444 /nfs/dbraw/zinc/81/84/44/813818444.db2.gz MCDIYWWBWDJSJF-BDAKNGLRSA-N 1 1 280.288 -0.651 20 5 CBBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001130097942 813908260 /nfs/dbraw/zinc/90/82/60/813908260.db2.gz IKOIWZWUNOFUDR-SECBINFHSA-N 1 1 282.304 -0.261 20 5 CBBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])[C@@H](C)C1 ZINC001138702011 814613754 /nfs/dbraw/zinc/61/37/54/814613754.db2.gz DJUYKIQLHZKMBQ-IUCAKERBSA-N 1 1 297.315 -0.155 20 5 CBBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])[C@@H](C)C1 ZINC001138702011 814613759 /nfs/dbraw/zinc/61/37/59/814613759.db2.gz DJUYKIQLHZKMBQ-IUCAKERBSA-N 1 1 297.315 -0.155 20 5 CBBDMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001142518921 814715546 /nfs/dbraw/zinc/71/55/46/814715546.db2.gz HZWYYLXEAPGUNJ-DTWKUNHWSA-N 1 1 297.315 -0.155 20 5 CBBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001142518921 814715549 /nfs/dbraw/zinc/71/55/49/814715549.db2.gz HZWYYLXEAPGUNJ-DTWKUNHWSA-N 1 1 297.315 -0.155 20 5 CBBDMO C[C@@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1CCO ZINC001142518920 814715695 /nfs/dbraw/zinc/71/56/95/814715695.db2.gz HZWYYLXEAPGUNJ-BDAKNGLRSA-N 1 1 297.315 -0.155 20 5 CBBDMO C[C@@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])[C@@H](C)C[N@H+]1CCO ZINC001142518920 814715697 /nfs/dbraw/zinc/71/56/97/814715697.db2.gz HZWYYLXEAPGUNJ-BDAKNGLRSA-N 1 1 297.315 -0.155 20 5 CBBDMO Nc1nc(NCCN2CC[NH2+]CC2=O)ccc1[N+](=O)[O-] ZINC001161024165 815700407 /nfs/dbraw/zinc/70/04/07/815700407.db2.gz HXBDIMUAMNHRQW-UHFFFAOYSA-N 1 1 280.288 -0.584 20 5 CBBDMO Nc1cc(NCCN2CC[NH2+]CC2=O)ncc1[N+](=O)[O-] ZINC001161024143 815700507 /nfs/dbraw/zinc/70/05/07/815700507.db2.gz GPISKIYEEBDNBH-UHFFFAOYSA-N 1 1 280.288 -0.584 20 5 CBBDMO Cc1c(C)c(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)ncc1[N+](=O)[O-] ZINC001162438809 815822977 /nfs/dbraw/zinc/82/29/77/815822977.db2.gz HVXZSJWFYIITPF-NHCYSSNCSA-N 1 1 293.331 -0.896 20 5 CBBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@H+](C)CCN2C)n1 ZINC001293349947 816516546 /nfs/dbraw/zinc/51/65/46/816516546.db2.gz KIOYKEUXTNPDPS-VIFPVBQESA-N 1 1 296.331 -0.696 20 5 CBBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)n1 ZINC001293349947 816516548 /nfs/dbraw/zinc/51/65/48/816516548.db2.gz KIOYKEUXTNPDPS-VIFPVBQESA-N 1 1 296.331 -0.696 20 5 CBBDMO NC(=O)[C@H]1CN(c2ccsc2[N+](=O)[O-])CC[NH2+]1 ZINC001306922179 816795862 /nfs/dbraw/zinc/79/58/62/816795862.db2.gz HBQSWEVVTDNHRO-ZCFIWIBFSA-N 1 1 256.287 -0.080 20 5 CBBDMO Cn1cc([N+](=O)[O-])c(NCC[N@H+]2CC[C@@H](O)C2)n1 ZINC001307182807 816798258 /nfs/dbraw/zinc/79/82/58/816798258.db2.gz SZDVQZQKFSQQGH-MRVPVSSYSA-N 1 1 255.278 -0.193 20 5 CBBDMO C[N@H+]1CC[C@@H]2CN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC001307785597 816810037 /nfs/dbraw/zinc/81/00/37/816810037.db2.gz NTADODPSEDVCMC-WXHSDQCUSA-N 1 1 295.343 -0.212 20 5 CBBDMO CN1CC[C@@H]2C[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC001307785597 816810044 /nfs/dbraw/zinc/81/00/44/816810044.db2.gz NTADODPSEDVCMC-WXHSDQCUSA-N 1 1 295.343 -0.212 20 5 CBBDMO CN1CC[C@@H]2C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC001307785597 816810051 /nfs/dbraw/zinc/81/00/51/816810051.db2.gz NTADODPSEDVCMC-WXHSDQCUSA-N 1 1 295.343 -0.212 20 5 CBBDMO CC[C@H](CO)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001307803224 816810083 /nfs/dbraw/zinc/81/00/83/816810083.db2.gz APHRNRDWLUDIIM-KOLCDFICSA-N 1 1 272.305 -0.145 20 5 CBBDMO O=C(NCCN1CC[NH+](CC2CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001316962324 816905980 /nfs/dbraw/zinc/90/59/80/816905980.db2.gz AEAMCNUTJVARRO-CHWSQXEVSA-N 1 1 296.371 -0.205 20 5 CBBDMO CCOCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317447713 816982062 /nfs/dbraw/zinc/98/20/62/816982062.db2.gz FCPWOCUUASCEAB-NXEZZACHSA-N 1 1 259.306 -0.264 20 5 CBBDMO CCOCC[N@H+](C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001317447713 816982068 /nfs/dbraw/zinc/98/20/68/816982068.db2.gz FCPWOCUUASCEAB-NXEZZACHSA-N 1 1 259.306 -0.264 20 5 CBBDMO CCOCC[N@@H+](C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001317447713 816982070 /nfs/dbraw/zinc/98/20/70/816982070.db2.gz FCPWOCUUASCEAB-NXEZZACHSA-N 1 1 259.306 -0.264 20 5 CBBDMO N=c1cc(C[NH3+])ncn1-c1ccc([N+](=O)[O-])c(C(N)=O)n1 ZINC001167351133 820084129 /nfs/dbraw/zinc/08/41/29/820084129.db2.gz DUSGTBYVPVFIGE-UHFFFAOYSA-N 1 1 289.255 -0.787 20 5 CBBDMO O=[N+]([O-])c1c(NC[C@H]2COCCN2)ncnc1C1C[NH2+]C1 ZINC001170044786 820275805 /nfs/dbraw/zinc/27/58/05/820275805.db2.gz OQLHILSJKBHXJZ-VIFPVBQESA-N 1 1 294.315 -0.528 20 5 CBBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CCC(N)=O ZINC001170053994 820277054 /nfs/dbraw/zinc/27/70/54/820277054.db2.gz POVANUYBJXDLOP-UHFFFAOYSA-N 1 1 255.278 -0.093 20 5 CBBDMO CO[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1O ZINC001170299953 820286503 /nfs/dbraw/zinc/28/65/03/820286503.db2.gz IFTORPNBASJFCQ-RKDXNWHRSA-N 1 1 256.262 -0.517 20 5 CBBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC001170535287 820301091 /nfs/dbraw/zinc/30/10/91/820301091.db2.gz MKAAVJLIMMGGQX-SNVBAGLBSA-N 1 1 297.315 -0.717 20 5 CBBDMO O=C(c1c[nH]nc1[N+](=O)[O-])N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001176532621 820450637 /nfs/dbraw/zinc/45/06/37/820450637.db2.gz BQOBALCPEXQKIZ-DTWKUNHWSA-N 1 1 295.299 -0.401 20 5 CBBDMO Cc1nc(N2CC[NH+](CCO)CC2)ncc1[N+](=O)[O-] ZINC001184598670 821080697 /nfs/dbraw/zinc/08/06/97/821080697.db2.gz QQSFQJDREGLDPH-UHFFFAOYSA-N 1 1 267.289 -0.192 20 5 CBBDMO C[N@@H+](CCO)CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001187593719 822282650 /nfs/dbraw/zinc/28/26/50/822282650.db2.gz PIAJKZHBYPUPAW-UHFFFAOYSA-N 1 1 283.288 -0.575 20 5 CBBDMO C[NH+]1CCN(C(=O)Cn2nc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001189415900 823755426 /nfs/dbraw/zinc/75/54/26/823755426.db2.gz FUIXHVOMCKRASS-UHFFFAOYSA-N 1 1 298.259 -0.527 20 5 CBBDMO Cn1cc(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c([N+](=O)[O-])n1 ZINC001197021429 824175306 /nfs/dbraw/zinc/17/53/06/824175306.db2.gz WDARTSUSLRSBGZ-DTORHVGOSA-N 1 1 293.283 -0.625 20 5 CBBDMO Cn1cc(C[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c([N+](=O)[O-])n1 ZINC001197021429 824175315 /nfs/dbraw/zinc/17/53/15/824175315.db2.gz WDARTSUSLRSBGZ-DTORHVGOSA-N 1 1 293.283 -0.625 20 5 CBBDMO COC(=O)[C@@]1(O)CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC001197266324 824185792 /nfs/dbraw/zinc/18/57/92/824185792.db2.gz WVQUWEQNZHWCHV-GFCCVEGCSA-N 1 1 298.299 -0.290 20 5 CBBDMO Cn1cc(C[NH2+][C@@H]2C(=O)NCC2(C)C)c([N+](=O)[O-])n1 ZINC001197432460 824190960 /nfs/dbraw/zinc/19/09/60/824190960.db2.gz WPSIYSQEYBBXTF-MRVPVSSYSA-N 1 1 267.289 -0.058 20 5 CBBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C(C(N)=O)C(N)=O ZINC001254535378 825966551 /nfs/dbraw/zinc/96/65/51/825966551.db2.gz IVDWBBSNKFHWQX-SSDOTTSWSA-N 1 1 280.284 -0.545 20 5 CBBDMO Cc1[nH]nc(C(=O)N2CCCO[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC001261474419 826519918 /nfs/dbraw/zinc/51/99/18/826519918.db2.gz CWXPLMXIIUPMFW-MRVPVSSYSA-N 1 1 283.288 -0.184 20 5 CBBDMO O=C(NC[C@H]1C[NH2+]CCCO1)c1n[nH]cc1[N+](=O)[O-] ZINC001261473172 826520256 /nfs/dbraw/zinc/52/02/56/826520256.db2.gz DPUJXJPJJJDUNM-SSDOTTSWSA-N 1 1 269.261 -0.574 20 5 CBBDMO O=C(N[C@H]1C[C@@H]([NH2+]CCCO)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001265538661 826902238 /nfs/dbraw/zinc/90/22/38/826902238.db2.gz HOUBMNYXISLIIY-UTINFBMNSA-N 1 1 257.290 -0.729 20 5 CBBDMO CN(C)C(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001268540925 827359361 /nfs/dbraw/zinc/35/93/61/827359361.db2.gz GMTHUZBYVKTZLM-HWKXXFMVSA-N 1 1 284.316 -0.998 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC=C[C@@H]2CO)c1 ZINC001175678144 884694950 /nfs/dbraw/zinc/69/49/50/884694950.db2.gz MLDUXHNVKMTHGO-KOLCDFICSA-N 1 1 268.273 -0.615 20 5 CBBDMO Cc1nc(N2CC[N@@H+](C)[C@H](CO)C2)ncc1[N+](=O)[O-] ZINC001335542351 888559494 /nfs/dbraw/zinc/55/94/94/888559494.db2.gz GICRPKWRYUGUKG-VIFPVBQESA-N 1 1 267.289 -0.194 20 5 CBBDMO Cc1nc(N2CC[N@H+](C)[C@H](CO)C2)ncc1[N+](=O)[O-] ZINC001335542351 888559501 /nfs/dbraw/zinc/55/95/01/888559501.db2.gz GICRPKWRYUGUKG-VIFPVBQESA-N 1 1 267.289 -0.194 20 5 CBBDMO CC(C)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])c(C(N)=O)n1 ZINC001327889288 885514159 /nfs/dbraw/zinc/51/41/59/885514159.db2.gz QBVJZYZJDAHUIQ-MRVPVSSYSA-N 1 1 285.304 -0.409 20 5 CBBDMO Cc1nn(C)c(C(=O)NCC[N@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC001329627327 886152340 /nfs/dbraw/zinc/15/23/40/886152340.db2.gz ZQTNQZKAXUMTNB-VIFPVBQESA-N 1 1 297.315 -0.567 20 5 CBBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC001329626611 886152869 /nfs/dbraw/zinc/15/28/69/886152869.db2.gz RORDOGYCJGSCEH-QMMMGPOBSA-N 1 1 283.288 -0.875 20 5 CBBDMO Cc1nc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)ncc1[N+](=O)[O-] ZINC001329648760 886160013 /nfs/dbraw/zinc/16/00/13/886160013.db2.gz USJRZSSBDVWWSJ-SNVBAGLBSA-N 1 1 279.300 -0.052 20 5 CBBDMO Cc1nc(N2CC([N@H+]3CC[C@@H](O)C3)C2)ncc1[N+](=O)[O-] ZINC001329648760 886160022 /nfs/dbraw/zinc/16/00/22/886160022.db2.gz USJRZSSBDVWWSJ-SNVBAGLBSA-N 1 1 279.300 -0.052 20 5 CBBDMO C[C@@H]1[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC001332477417 887310604 /nfs/dbraw/zinc/31/06/04/887310604.db2.gz KDFPVPVWZOHNPX-ZJUUUORDSA-N 1 1 294.311 -0.035 20 5 CBBDMO CN1CC[NH+](CCCn2cnc([N+](=O)[O-])n2)CC1 ZINC001337467898 889014487 /nfs/dbraw/zinc/01/44/87/889014487.db2.gz QCSJYVNLGYXOAA-UHFFFAOYSA-N 1 1 254.294 -0.176 20 5 CBBDMO NC(=O)C[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC001342950620 889849258 /nfs/dbraw/zinc/84/92/58/889849258.db2.gz HUMOCJYRKUUCJU-VIFPVBQESA-N 1 1 267.289 -0.011 20 5 CBBDMO CC[NH+]1CCN(C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001347439931 890465266 /nfs/dbraw/zinc/46/52/66/890465266.db2.gz BGJLHCMYPJUZIQ-VXGBXAGGSA-N 1 1 282.344 -0.500 20 5 CBBDMO Cn1ncc([N+](=O)[O-])c1NC[C@@]1(CO)COCC[NH2+]1 ZINC001458572966 914661332 /nfs/dbraw/zinc/66/13/32/914661332.db2.gz OULUAISABNZDFV-SNVBAGLBSA-N 1 1 271.277 -0.909 20 5 CBBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC001459634497 914734414 /nfs/dbraw/zinc/73/44/14/914734414.db2.gz MKGFMCZQUVARNT-AOOOYVTPSA-N 1 1 270.289 -0.473 20 5 CBBDMO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@@H](O)[C@H](CO)C2)c1 ZINC001460220886 914774496 /nfs/dbraw/zinc/77/44/96/914774496.db2.gz MMWZMIXUJVITPL-WCBMZHEXSA-N 1 1 256.262 -0.924 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)c1 ZINC001460774785 914817532 /nfs/dbraw/zinc/81/75/32/914817532.db2.gz PVEHDEWHQRQEBL-LPTSXCQYSA-N 1 1 296.327 -0.145 20 5 CBBDMO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)[C@H](CO)C1 ZINC001472843247 915773137 /nfs/dbraw/zinc/77/31/37/915773137.db2.gz RCGPJBZJEQGKLF-ZETCQYMHSA-N 1 1 268.277 -0.920 20 5 CBBDMO C[N@H+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)[C@H](CO)C1 ZINC001472843247 915773143 /nfs/dbraw/zinc/77/31/43/915773143.db2.gz RCGPJBZJEQGKLF-ZETCQYMHSA-N 1 1 268.277 -0.920 20 5 CBBDMO CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)NC ZINC001493289794 919519100 /nfs/dbraw/zinc/51/91/00/919519100.db2.gz AJLBGLIAIKZLOJ-NXEZZACHSA-N 1 1 286.332 -0.774 20 5 CBBDMO CCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)NC ZINC001493289794 919519112 /nfs/dbraw/zinc/51/91/12/919519112.db2.gz AJLBGLIAIKZLOJ-NXEZZACHSA-N 1 1 286.332 -0.774 20 5 CBBDMO COCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC001493370736 919536635 /nfs/dbraw/zinc/53/66/35/919536635.db2.gz NEPPZTOOQYBXPE-GHMZBOCLSA-N 1 1 271.317 -0.121 20 5 CBBDMO COCC[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001493370736 919536644 /nfs/dbraw/zinc/53/66/44/919536644.db2.gz NEPPZTOOQYBXPE-GHMZBOCLSA-N 1 1 271.317 -0.121 20 5 CBBDMO COCC[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001493370736 919536654 /nfs/dbraw/zinc/53/66/54/919536654.db2.gz NEPPZTOOQYBXPE-GHMZBOCLSA-N 1 1 271.317 -0.121 20 5 CBBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1COC[C@H]1O ZINC000352795688 529939669 /nfs/dbraw/zinc/93/96/69/529939669.db2.gz UAQZAFHYQQSVJK-DTWKUNHWSA-N 1 1 256.262 -0.517 20 5 CBBDMO C[C@H](O)C[N@@H+](CCO)CCn1ccc([N+](=O)[O-])n1 ZINC000351936888 219255997 /nfs/dbraw/zinc/25/59/97/219255997.db2.gz MWCBIPFMQDILCL-VIFPVBQESA-N 1 1 258.278 -0.534 20 5 CBBDMO C[C@@H](O)C[N@@H+](CCO)CCn1cc([N+](=O)[O-])cn1 ZINC000351939901 219257711 /nfs/dbraw/zinc/25/77/11/219257711.db2.gz XQZRSNRPWBOMDF-SECBINFHSA-N 1 1 258.278 -0.534 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H](O)CC2)c1 ZINC000339782177 215338384 /nfs/dbraw/zinc/33/83/84/215338384.db2.gz WXKGXNOSZBQAGF-RYUDHWBXSA-N 1 1 284.316 -0.001 20 5 CBBDMO COCC[N@@H+](C)CCCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000055341538 351543300 /nfs/dbraw/zinc/54/33/00/351543300.db2.gz GLFUGDVYTJOUSL-UHFFFAOYSA-N 1 1 299.331 -0.124 20 5 CBBDMO CC(C)C[N@H+](CC(N)=O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075624269 351668371 /nfs/dbraw/zinc/66/83/71/351668371.db2.gz QPKAMBIYBOAGIQ-NSHDSACASA-N 1 1 299.331 -0.405 20 5 CBBDMO CC(C)[N@H+](CC(N)=O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075611830 351668557 /nfs/dbraw/zinc/66/85/57/351668557.db2.gz XDNRFQSHILCMKE-JTQLQIEISA-N 1 1 285.304 -0.652 20 5 CBBDMO CC[N@@H+](CCO)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075714358 351670342 /nfs/dbraw/zinc/67/03/42/351670342.db2.gz CZJCPWSKSWAYGE-JTQLQIEISA-N 1 1 258.278 -0.534 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000075716052 351670414 /nfs/dbraw/zinc/67/04/14/351670414.db2.gz XSIBUVVPAZYNGT-MWLCHTKSSA-N 1 1 270.289 -0.391 20 5 CBBDMO C[N@@H+](CCn1cccn1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075722014 351671053 /nfs/dbraw/zinc/67/10/53/351671053.db2.gz KBQSDJNKQWLULL-LBPRGKRZSA-N 1 1 294.315 -0.019 20 5 CBBDMO C[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000093333011 351759382 /nfs/dbraw/zinc/75/93/82/351759382.db2.gz PHAHWUNPXZMYNF-USWWRNFRSA-N 1 1 284.316 -0.145 20 5 CBBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H]1C ZINC000120865763 351844616 /nfs/dbraw/zinc/84/46/16/351844616.db2.gz WACHDGSPHCGNIB-DTWKUNHWSA-N 1 1 297.315 -0.155 20 5 CBBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H]1C ZINC000120865763 351844617 /nfs/dbraw/zinc/84/46/17/351844617.db2.gz WACHDGSPHCGNIB-DTWKUNHWSA-N 1 1 297.315 -0.155 20 5 CBBDMO O=C1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCN1 ZINC000174845188 352051935 /nfs/dbraw/zinc/05/19/35/352051935.db2.gz RWMMJKUKYCKGCO-UHFFFAOYSA-N 1 1 253.262 -0.387 20 5 CBBDMO COCC[N@@H+](CCO)CCn1ccc([N+](=O)[O-])n1 ZINC000176250744 352064621 /nfs/dbraw/zinc/06/46/21/352064621.db2.gz WYPLFVXGPVJLRU-UHFFFAOYSA-N 1 1 258.278 -0.268 20 5 CBBDMO COCCC[N@@H+](C)CCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000172669033 352028467 /nfs/dbraw/zinc/02/84/67/352028467.db2.gz JGOCVXUDHLVTHW-UHFFFAOYSA-N 1 1 299.331 -0.124 20 5 CBBDMO O=C(Cn1cc([N+](=O)[O-])cn1)NCC[N@H+]1CCCOCC1 ZINC000189436548 352169435 /nfs/dbraw/zinc/16/94/35/352169435.db2.gz GYFVGJBFBQKUQP-UHFFFAOYSA-N 1 1 297.315 -0.370 20 5 CBBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H]1C ZINC000245915037 352326071 /nfs/dbraw/zinc/32/60/71/352326071.db2.gz WACHDGSPHCGNIB-IUCAKERBSA-N 1 1 297.315 -0.155 20 5 CBBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H]1C ZINC000245915037 352326073 /nfs/dbraw/zinc/32/60/73/352326073.db2.gz WACHDGSPHCGNIB-IUCAKERBSA-N 1 1 297.315 -0.155 20 5 CBBDMO NC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247247014 352344321 /nfs/dbraw/zinc/34/43/21/352344321.db2.gz DTQWTBJGORLVGS-MNOVXSKESA-N 1 1 297.315 -0.508 20 5 CBBDMO NC(=O)[C@@H]1CCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247247014 352344325 /nfs/dbraw/zinc/34/43/25/352344325.db2.gz DTQWTBJGORLVGS-MNOVXSKESA-N 1 1 297.315 -0.508 20 5 CBBDMO C[C@@]1(O)CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000248342720 352350159 /nfs/dbraw/zinc/35/01/59/352350159.db2.gz JSRDGCSYONGVEG-GHMZBOCLSA-N 1 1 270.289 -0.391 20 5 CBBDMO Cc1cc(N2CC[NH2+][C@H](C(N)=O)C2)ncc1[N+](=O)[O-] ZINC000266806267 352448599 /nfs/dbraw/zinc/44/85/99/352448599.db2.gz DPSFKZCDNBZWFY-QMMMGPOBSA-N 1 1 265.273 -0.438 20 5 CBBDMO Cc1nc(N2CC[NH2+][C@@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000268521861 352452252 /nfs/dbraw/zinc/45/22/52/352452252.db2.gz VEJLSXYJLNFPKB-MRVPVSSYSA-N 1 1 265.273 -0.438 20 5 CBBDMO CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)CO ZINC000292098705 198162546 /nfs/dbraw/zinc/16/25/46/198162546.db2.gz GDUIZOIPEKVSIF-KOLCDFICSA-N 1 1 272.305 -0.145 20 5 CBBDMO C[NH+]1CCN(C(=O)CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000283163930 352619519 /nfs/dbraw/zinc/61/95/19/352619519.db2.gz VVDVDJXSQWNOPD-UHFFFAOYSA-N 1 1 294.311 -0.079 20 5 CBBDMO CN(C)CC[N@@H+](C)CCCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000290668261 352679117 /nfs/dbraw/zinc/67/91/17/352679117.db2.gz PBVCVFMXMOGATI-UHFFFAOYSA-N 1 1 298.347 -0.069 20 5 CBBDMO CN(CCCNC(=O)c1[nH]ncc1[N+](=O)[O-])CC[NH+](C)C ZINC000290668261 352679120 /nfs/dbraw/zinc/67/91/20/352679120.db2.gz PBVCVFMXMOGATI-UHFFFAOYSA-N 1 1 298.347 -0.069 20 5 CBBDMO C[N@H+]1CCC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000299638484 352727130 /nfs/dbraw/zinc/72/71/30/352727130.db2.gz PORPISRRUKGEKZ-JTQLQIEISA-N 1 1 294.311 -0.033 20 5 CBBDMO C[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)CC[N@@H+]1CCO ZINC000302488929 352740675 /nfs/dbraw/zinc/74/06/75/352740675.db2.gz ZAMIJPNAQYQLMH-SECBINFHSA-N 1 1 267.289 -0.112 20 5 CBBDMO C[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)CC[N@H+]1CCO ZINC000302488929 352740680 /nfs/dbraw/zinc/74/06/80/352740680.db2.gz ZAMIJPNAQYQLMH-SECBINFHSA-N 1 1 267.289 -0.112 20 5 CBBDMO COCC[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000312722059 352776007 /nfs/dbraw/zinc/77/60/07/352776007.db2.gz IOTBAUZUTCFUJE-LLVKDONJSA-N 1 1 285.300 -0.304 20 5 CBBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1O ZINC000305764402 352750511 /nfs/dbraw/zinc/75/05/11/352750511.db2.gz PHAHWUNPXZMYNF-YUSALJHKSA-N 1 1 284.316 -0.145 20 5 CBBDMO C[NH+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000330465374 352830016 /nfs/dbraw/zinc/83/00/16/352830016.db2.gz VRSRIBGDPQYPGT-UHFFFAOYSA-N 1 1 267.289 -0.045 20 5 CBBDMO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000331274963 352899148 /nfs/dbraw/zinc/89/91/48/352899148.db2.gz PXINDFVFSSVFCG-CBAPKCEASA-N 1 1 267.289 -0.058 20 5 CBBDMO CN1CC[C@H]([N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O ZINC000352657297 353499247 /nfs/dbraw/zinc/49/92/47/353499247.db2.gz GCMHBXPWGNENKT-MNOVXSKESA-N 1 1 297.315 -0.685 20 5 CBBDMO C[N@H+]1CC[C@@](O)(CNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000358358569 353639985 /nfs/dbraw/zinc/63/99/85/353639985.db2.gz UHJUZSODBCQPQA-GFCCVEGCSA-N 1 1 295.299 -0.433 20 5 CBBDMO C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000371649940 353704731 /nfs/dbraw/zinc/70/47/31/353704731.db2.gz KTKPDLHESFBBHU-OPRDCNLKSA-N 1 1 257.290 -0.559 20 5 CBBDMO C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CC2[N+](=O)[O-])CCO1 ZINC000371649942 353705275 /nfs/dbraw/zinc/70/52/75/353705275.db2.gz KTKPDLHESFBBHU-UTLUCORTSA-N 1 1 257.290 -0.559 20 5 CBBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000408375674 353906841 /nfs/dbraw/zinc/90/68/41/353906841.db2.gz UGJDYLUDMRVUJY-DTORHVGOSA-N 1 1 279.300 -0.038 20 5 CBBDMO O=C([C@H]1COCC[NH2+]1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000424177446 354215742 /nfs/dbraw/zinc/21/57/42/354215742.db2.gz UJUIRWUXRHBPDO-GFCCVEGCSA-N 1 1 292.295 -0.137 20 5 CBBDMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)c1cc([N+](=O)[O-])n[nH]1 ZINC000452379171 354349201 /nfs/dbraw/zinc/34/92/01/354349201.db2.gz QLXMYGSZEMQJRY-VIFPVBQESA-N 1 1 297.315 -0.106 20 5 CBBDMO C[C@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC[NH2+]1 ZINC000566216526 354758169 /nfs/dbraw/zinc/75/81/69/354758169.db2.gz JRLLEZIMTBKREF-QMMMGPOBSA-N 1 1 286.313 -0.028 20 5 CBBDMO O=C(NCCCN1CC[NH2+]CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000572481096 354892223 /nfs/dbraw/zinc/89/22/23/354892223.db2.gz PVPBGPLTIDIYJH-UHFFFAOYSA-N 1 1 282.304 -0.657 20 5 CBBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1C(F)F ZINC000580552541 354995454 /nfs/dbraw/zinc/99/54/54/354995454.db2.gz GSVNZUNEYRSDPI-ZCFIWIBFSA-N 1 1 275.215 -0.003 20 5 CBBDMO C[N@H+]1CC[C@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000584816754 355039353 /nfs/dbraw/zinc/03/93/53/355039353.db2.gz YJLRVODXDOGKTB-SSDOTTSWSA-N 1 1 253.262 -0.001 20 5 CBBDMO C[N@H+]1C[C@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000590044102 355073825 /nfs/dbraw/zinc/07/38/25/355073825.db2.gz GYCRAVMTCBZOMU-KOLCDFICSA-N 1 1 279.300 -0.046 20 5 CBBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC(C[NH+]2CCOCC2)C1 ZINC000590393010 355077764 /nfs/dbraw/zinc/07/77/64/355077764.db2.gz WRMNLIPYGXCILC-UHFFFAOYSA-N 1 1 295.299 -0.278 20 5 CBBDMO C[C@@H]1CC[C@@H](O)C[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000592201762 355140037 /nfs/dbraw/zinc/14/00/37/355140037.db2.gz GUZLEQVTWZYVGV-YUSALJHKSA-N 1 1 284.316 -0.003 20 5 CBBDMO Cn1cnc([N+](=O)[O-])c1N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593507881 355207725 /nfs/dbraw/zinc/20/77/25/355207725.db2.gz OTXNQBXZKRRUOL-SECBINFHSA-N 1 1 267.289 -0.417 20 5 CBBDMO Cn1cnc([N+](=O)[O-])c1N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593507881 355207726 /nfs/dbraw/zinc/20/77/26/355207726.db2.gz OTXNQBXZKRRUOL-SECBINFHSA-N 1 1 267.289 -0.417 20 5 CBBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)c1 ZINC000593095830 355193598 /nfs/dbraw/zinc/19/35/98/355193598.db2.gz AZMVWDKEKFQKNA-HDESESHFSA-N 1 1 270.314 -0.004 20 5 CBBDMO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)c1 ZINC000593095830 355193602 /nfs/dbraw/zinc/19/36/02/355193602.db2.gz AZMVWDKEKFQKNA-HDESESHFSA-N 1 1 270.314 -0.004 20 5 CBBDMO [NH3+]C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(F)(F)F ZINC000594451373 355248760 /nfs/dbraw/zinc/24/87/60/355248760.db2.gz SNTWWUWUYBFLJV-BYPYZUCNSA-N 1 1 267.167 -0.063 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC3(COC3)C2)c1 ZINC000595832163 355310894 /nfs/dbraw/zinc/31/08/94/355310894.db2.gz CRCAHUKYZIBYRK-NSHDSACASA-N 1 1 282.300 -0.126 20 5 CBBDMO O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)c1cc([N+](=O)[O-])n[nH]1 ZINC000597623596 355402027 /nfs/dbraw/zinc/40/20/27/355402027.db2.gz BFJOGXPGYPGNDW-SECBINFHSA-N 1 1 294.315 -0.562 20 5 CBBDMO C[NH+](C)C[C@H](CO)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000597654559 355403412 /nfs/dbraw/zinc/40/34/12/355403412.db2.gz UJLDWSBYAUBWHB-SECBINFHSA-N 1 1 283.284 -0.047 20 5 CBBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599643686 355505819 /nfs/dbraw/zinc/50/58/19/355505819.db2.gz DEIRWKBCKQJFJQ-WCABBAIRSA-N 1 1 297.315 -0.652 20 5 CBBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599644662 355506262 /nfs/dbraw/zinc/50/62/62/355506262.db2.gz LWOJYQXNHWFUQT-JGZJWPJOSA-N 1 1 294.311 -0.048 20 5 CBBDMO C[C@H]1C[NH2+]CCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599097904 355463629 /nfs/dbraw/zinc/46/36/29/355463629.db2.gz MTDSNKKRHKCCGR-ZETCQYMHSA-N 1 1 289.317 -0.689 20 5 CBBDMO C[C@@H](C[NH3+])CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599102804 355464452 /nfs/dbraw/zinc/46/44/52/355464452.db2.gz RTUIBMDSIAYSEQ-LURJTMIESA-N 1 1 277.306 -0.799 20 5 CBBDMO C[C@@H](CC[NH3+])NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599105390 355464624 /nfs/dbraw/zinc/46/46/24/355464624.db2.gz ZLATYAOYZDODSU-LURJTMIESA-N 1 1 277.306 -0.656 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)c1 ZINC000599681346 355508560 /nfs/dbraw/zinc/50/85/60/355508560.db2.gz NKJZHRIIDWXENC-WKSBVSIWSA-N 1 1 296.327 -0.003 20 5 CBBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cn1 ZINC000600808000 355566905 /nfs/dbraw/zinc/56/69/05/355566905.db2.gz GGVPKMNOAHUORJ-JTQLQIEISA-N 1 1 280.284 -0.214 20 5 CBBDMO Cn1cc(C[N@@H+]2CCN3CCOC[C@@H]3C2)c([N+](=O)[O-])n1 ZINC000602612315 355665672 /nfs/dbraw/zinc/66/56/72/355665672.db2.gz HSPZZVLDHYUFSY-NSHDSACASA-N 1 1 281.316 -0.155 20 5 CBBDMO Cn1cc(C[N@H+]2CCN3CCOC[C@@H]3C2)c([N+](=O)[O-])n1 ZINC000602612315 355665675 /nfs/dbraw/zinc/66/56/75/355665675.db2.gz HSPZZVLDHYUFSY-NSHDSACASA-N 1 1 281.316 -0.155 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](CCCO)C2CC2)c1 ZINC000610369665 355777890 /nfs/dbraw/zinc/77/78/90/355777890.db2.gz RRMSYBXJWNOKLV-LBPRGKRZSA-N 1 1 284.316 -0.001 20 5 CBBDMO C[C@@H]1C[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C[N@H+]1C1CC1 ZINC000610654051 355784184 /nfs/dbraw/zinc/78/41/84/355784184.db2.gz FROMOJQYFFCYCV-RKDXNWHRSA-N 1 1 294.315 -0.072 20 5 CBBDMO CC[N@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H]1C ZINC000611088431 355793386 /nfs/dbraw/zinc/79/33/86/355793386.db2.gz VBSXFFCRNSCEMG-VIFPVBQESA-N 1 1 282.304 -0.261 20 5 CBBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000330588364 203007543 /nfs/dbraw/zinc/00/75/43/203007543.db2.gz YPTNLUSBWOLVGR-SECBINFHSA-N 1 1 297.315 -0.221 20 5 CBBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000330695231 203126059 /nfs/dbraw/zinc/12/60/59/203126059.db2.gz IZXBIKWLRZYKNA-SNVBAGLBSA-N 1 1 296.331 -0.847 20 5 CBBDMO NC(=O)[C@]1(O)CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000276461727 193341060 /nfs/dbraw/zinc/34/10/60/193341060.db2.gz OUVHCLJLSPGYSH-ZDUSSCGKSA-N 1 1 295.295 -0.104 20 5 CBBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@H](C)C1 ZINC000276589097 193392017 /nfs/dbraw/zinc/39/20/17/193392017.db2.gz KGUNEVQMAZJSPD-RKDXNWHRSA-N 1 1 297.315 -0.155 20 5 CBBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@H](C)C1 ZINC000276589097 193392018 /nfs/dbraw/zinc/39/20/18/193392018.db2.gz KGUNEVQMAZJSPD-RKDXNWHRSA-N 1 1 297.315 -0.155 20 5 CBBDMO CN1CC[C@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C1=O ZINC000267108757 372915979 /nfs/dbraw/zinc/91/59/79/372915979.db2.gz WXDSTGVIMJULJJ-VIFPVBQESA-N 1 1 267.289 -0.046 20 5 CBBDMO CN1CC[C@H]([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)C1=O ZINC000267108757 372915988 /nfs/dbraw/zinc/91/59/88/372915988.db2.gz WXDSTGVIMJULJJ-VIFPVBQESA-N 1 1 267.289 -0.046 20 5 CBBDMO C[C@]1(C(N)=O)CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000361558173 373308982 /nfs/dbraw/zinc/30/89/82/373308982.db2.gz VAXNRHASEZXPSG-JQWIXIFHSA-N 1 1 297.315 -0.651 20 5 CBBDMO C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)NCC[NH+](C)C ZINC000552077722 374259720 /nfs/dbraw/zinc/25/97/20/374259720.db2.gz VLUTWRHHFDUUAV-ZETCQYMHSA-N 1 1 298.303 -0.886 20 5 CBBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](CO)[C@H](O)C2)c1 ZINC000554744085 374281688 /nfs/dbraw/zinc/28/16/88/374281688.db2.gz WBDPDCHIKUVTOO-MWLCHTKSSA-N 1 1 270.289 -0.534 20 5 CBBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c1 ZINC000554744083 374283137 /nfs/dbraw/zinc/28/31/37/374283137.db2.gz WBDPDCHIKUVTOO-GXSJLCMTSA-N 1 1 270.289 -0.534 20 5 CBBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000264760373 190133342 /nfs/dbraw/zinc/13/33/42/190133342.db2.gz OESDHOYVTCPNHJ-SECBINFHSA-N 1 1 281.316 -0.102 20 5 CBBDMO C[C@H](O)CC[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266512026 190262740 /nfs/dbraw/zinc/26/27/40/190262740.db2.gz BMQQXPAEODFRPC-GXSJLCMTSA-N 1 1 272.305 -0.145 20 5 CBBDMO COCC[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266527522 190264449 /nfs/dbraw/zinc/26/44/49/190264449.db2.gz DNZQKZJHWMTKFK-JTQLQIEISA-N 1 1 258.278 -0.270 20 5 CBBDMO COCC[N@@H+](CCO)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266526952 190264004 /nfs/dbraw/zinc/26/40/04/190264004.db2.gz KRSXHSKWYJXETH-LLVKDONJSA-N 1 1 288.304 -0.907 20 5 CBBDMO CC[N@@H+](CCCO)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266604370 190270561 /nfs/dbraw/zinc/27/05/61/190270561.db2.gz XXUVZKYQRSAQRE-NSHDSACASA-N 1 1 272.305 -0.144 20 5 CBBDMO CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCNC1=O ZINC000440964160 208347911 /nfs/dbraw/zinc/34/79/11/208347911.db2.gz NLPBFMHJEJIQKK-GHMZBOCLSA-N 1 1 297.315 -0.637 20 5 CBBDMO C[C@H](O)C[N@H+](CCO)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000289375898 197318331 /nfs/dbraw/zinc/31/83/31/197318331.db2.gz BUCFEXQGDCWEKL-VIFPVBQESA-N 1 1 297.311 -0.131 20 5 CBBDMO C[C@H](O)C[N@@H+](CCO)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000289375898 197318333 /nfs/dbraw/zinc/31/83/33/197318333.db2.gz BUCFEXQGDCWEKL-VIFPVBQESA-N 1 1 297.311 -0.131 20 5 CBBDMO C[C@H](CO)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000284804307 196134844 /nfs/dbraw/zinc/13/48/44/196134844.db2.gz OUMRRMWTKFTDOE-SCZZXKLOSA-N 1 1 258.278 -0.535 20 5 CBBDMO COCC[N@@H+](C)CCCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000041967701 419422235 /nfs/dbraw/zinc/42/22/35/419422235.db2.gz XKNMQFGPPQZYNO-UHFFFAOYSA-N 1 1 299.331 -0.124 20 5 CBBDMO Nc1nc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)ncc1[N+](=O)[O-] ZINC000363571473 420028567 /nfs/dbraw/zinc/02/85/67/420028567.db2.gz NXJCXCVIQKJLHY-RKDXNWHRSA-N 1 1 294.315 -0.336 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@](O)(C3CC3)C2)c1 ZINC000365851941 420070808 /nfs/dbraw/zinc/07/08/08/420070808.db2.gz XQDDKFZPPAVKDZ-STQMWFEESA-N 1 1 296.327 -0.001 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H](N2CCOCC2)C1 ZINC000369686234 420162573 /nfs/dbraw/zinc/16/25/73/420162573.db2.gz HVOHYMXGZSGCPM-GMTAPVOTSA-N 1 1 269.301 -0.415 20 5 CBBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405207341 420226058 /nfs/dbraw/zinc/22/60/58/420226058.db2.gz AZBFAVDPNCXZBC-VHSXEESVSA-N 1 1 295.299 -0.931 20 5 CBBDMO C[C@H]1C[N@H+](CCO)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000450952013 420302083 /nfs/dbraw/zinc/30/20/83/420302083.db2.gz HIQLUAQDZAEKDC-QMMMGPOBSA-N 1 1 282.304 -0.530 20 5 CBBDMO C[C@H]1C[N@@H+](CCO)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000450952013 420302087 /nfs/dbraw/zinc/30/20/87/420302087.db2.gz HIQLUAQDZAEKDC-QMMMGPOBSA-N 1 1 282.304 -0.530 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000376122133 280112887 /nfs/dbraw/zinc/11/28/87/280112887.db2.gz FHLQFYDFCPKAMS-HBNTYKKESA-N 1 1 268.317 -0.842 20 5 CBBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCn3nncc3C2)n1 ZINC000584300023 327230023 /nfs/dbraw/zinc/23/00/23/327230023.db2.gz DZYVMJMFFFHTGP-UHFFFAOYSA-N 1 1 263.261 -0.101 20 5 CBBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCn3nncc3C2)n1 ZINC000584300023 327230024 /nfs/dbraw/zinc/23/00/24/327230024.db2.gz DZYVMJMFFFHTGP-UHFFFAOYSA-N 1 1 263.261 -0.101 20 5 CBBDMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cnc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000339303360 335143243 /nfs/dbraw/zinc/14/32/43/335143243.db2.gz MBYDSYOLJDXSKZ-KXUCPTDWSA-N 1 1 285.304 -0.344 20 5 CBBDMO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cnc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000339303360 335143244 /nfs/dbraw/zinc/14/32/44/335143244.db2.gz MBYDSYOLJDXSKZ-KXUCPTDWSA-N 1 1 285.304 -0.344 20 5 CBBDMO C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+]1C ZINC000742193808 582271992 /nfs/dbraw/zinc/27/19/92/582271992.db2.gz CLPGMIIWOXBSQJ-JTQLQIEISA-N 1 1 294.311 -0.081 20 5 CBBDMO C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[N@H+]1C ZINC000742193808 582271994 /nfs/dbraw/zinc/27/19/94/582271994.db2.gz CLPGMIIWOXBSQJ-JTQLQIEISA-N 1 1 294.311 -0.081 20 5 CBBDMO O=C(C1CC[NH+](CC[N+](=O)[O-])CC1)N1CCOCC1 ZINC000791053304 582392396 /nfs/dbraw/zinc/39/23/96/582392396.db2.gz KRDKYVADVDPOQB-UHFFFAOYSA-N 1 1 271.317 -0.166 20 5 CBBDMO NC(=O)[C@@]1(O)CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000794569946 582405984 /nfs/dbraw/zinc/40/59/84/582405984.db2.gz ZDNDDZMSWTZWSK-WCQYABFASA-N 1 1 295.295 -0.450 20 5 CBBDMO NC(=O)[C@@]1(O)CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000794569945 582406020 /nfs/dbraw/zinc/40/60/20/582406020.db2.gz ZDNDDZMSWTZWSK-DGCLKSJQSA-N 1 1 295.295 -0.450 20 5 CBBDMO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000823728324 582678805 /nfs/dbraw/zinc/67/88/05/582678805.db2.gz WXASHOWPFZSXJZ-HBNTYKKESA-N 1 1 271.317 -0.385 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000839702494 583158000 /nfs/dbraw/zinc/15/80/00/583158000.db2.gz XICYSMDIZUPVRF-IJLUTSLNSA-N 1 1 283.328 -0.168 20 5 CBBDMO C[N@H+]1CCN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1(C)C ZINC000839757262 583159554 /nfs/dbraw/zinc/15/95/54/583159554.db2.gz HWBKAKBELURTON-GHMZBOCLSA-N 1 1 284.360 -0.206 20 5 CBBDMO C[N@@H+]1CCN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1(C)C ZINC000839757262 583159555 /nfs/dbraw/zinc/15/95/55/583159555.db2.gz HWBKAKBELURTON-GHMZBOCLSA-N 1 1 284.360 -0.206 20 5 CBBDMO C[N@H+]1CCN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1(C)C ZINC000839757262 583159558 /nfs/dbraw/zinc/15/95/58/583159558.db2.gz HWBKAKBELURTON-GHMZBOCLSA-N 1 1 284.360 -0.206 20 5 CBBDMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000840672350 583166348 /nfs/dbraw/zinc/16/63/48/583166348.db2.gz JOVYLRLGJJTDNM-HBNTYKKESA-N 1 1 299.327 -0.253 20 5 CBBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000856256653 583657396 /nfs/dbraw/zinc/65/73/96/583657396.db2.gz MYNIMHTXWXSMRA-IJLUTSLNSA-N 1 1 283.328 -0.291 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000856256653 583657397 /nfs/dbraw/zinc/65/73/97/583657397.db2.gz MYNIMHTXWXSMRA-IJLUTSLNSA-N 1 1 283.328 -0.291 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000856256653 583657399 /nfs/dbraw/zinc/65/73/99/583657399.db2.gz MYNIMHTXWXSMRA-IJLUTSLNSA-N 1 1 283.328 -0.291 20 5 CBBDMO O=C1OC[C@H]2C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@@H]12 ZINC000860166296 583740427 /nfs/dbraw/zinc/74/04/27/583740427.db2.gz XNZOGSKJFYHVTQ-MWLCHTKSSA-N 1 1 293.279 -0.139 20 5 CBBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000861720314 583781405 /nfs/dbraw/zinc/78/14/05/583781405.db2.gz XVDNSIFNMFJXHP-GWOFURMSSA-N 1 1 269.301 -0.681 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861720314 583781409 /nfs/dbraw/zinc/78/14/09/583781409.db2.gz XVDNSIFNMFJXHP-GWOFURMSSA-N 1 1 269.301 -0.681 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000861720314 583781410 /nfs/dbraw/zinc/78/14/10/583781410.db2.gz XVDNSIFNMFJXHP-GWOFURMSSA-N 1 1 269.301 -0.681 20 5 CBBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC=C[C@@H]1CO ZINC000880489673 584276236 /nfs/dbraw/zinc/27/62/36/584276236.db2.gz WNYHBCVIYOVRRH-LLVKDONJSA-N 1 1 265.269 -0.011 20 5 CBBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC=C[C@@H]1CO ZINC000880489673 584276237 /nfs/dbraw/zinc/27/62/37/584276237.db2.gz WNYHBCVIYOVRRH-LLVKDONJSA-N 1 1 265.269 -0.011 20 5 CBBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889750693 584535521 /nfs/dbraw/zinc/53/55/21/584535521.db2.gz QFKCHYBJFAZLGE-WISYIIOYSA-N 1 1 283.328 -0.291 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889750693 584535523 /nfs/dbraw/zinc/53/55/23/584535523.db2.gz QFKCHYBJFAZLGE-WISYIIOYSA-N 1 1 283.328 -0.291 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889750693 584535525 /nfs/dbraw/zinc/53/55/25/584535525.db2.gz QFKCHYBJFAZLGE-WISYIIOYSA-N 1 1 283.328 -0.291 20 5 CBBDMO Cn1ncc([N+](=O)[O-])c1N1CCC[N@@H+](CCO)CC1 ZINC000892338267 584615362 /nfs/dbraw/zinc/61/53/62/584615362.db2.gz UDOKXIRAKSWCFH-UHFFFAOYSA-N 1 1 269.305 -0.167 20 5 CBBDMO C[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000896536501 584701579 /nfs/dbraw/zinc/70/15/79/584701579.db2.gz VGPCPSHTCSGTNA-ZDCRXTMVSA-N 1 1 270.333 -0.598 20 5 CBBDMO C[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000896536100 584701607 /nfs/dbraw/zinc/70/16/07/584701607.db2.gz VGPCPSHTCSGTNA-LNFKQOIKSA-N 1 1 270.333 -0.598 20 5 CBBDMO CCOC(=O)[C@H]1C[N@H+](CC[N+](=O)[O-])CC12COC2 ZINC000930599806 659309815 /nfs/dbraw/zinc/30/98/15/659309815.db2.gz ZJMWGEVCXHZWFJ-SECBINFHSA-N 1 1 258.274 -0.225 20 5 CBBDMO CCOC(=O)[C@H]1C[N@@H+](CC[N+](=O)[O-])CC12COC2 ZINC000930599806 659309819 /nfs/dbraw/zinc/30/98/19/659309819.db2.gz ZJMWGEVCXHZWFJ-SECBINFHSA-N 1 1 258.274 -0.225 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC3(C2)OCCO3)c1 ZINC000173326528 656085064 /nfs/dbraw/zinc/08/50/64/656085064.db2.gz DICZFAGHXNQXRO-NSHDSACASA-N 1 1 298.299 -0.399 20 5 CBBDMO Cn1cc(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c([N+](=O)[O-])n1 ZINC000877660789 656248365 /nfs/dbraw/zinc/24/83/65/656248365.db2.gz QUAARXZFRLTGMG-RKDXNWHRSA-N 1 1 266.257 -0.067 20 5 CBBDMO Cn1cc(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c([N+](=O)[O-])n1 ZINC000877660789 656248367 /nfs/dbraw/zinc/24/83/67/656248367.db2.gz QUAARXZFRLTGMG-RKDXNWHRSA-N 1 1 266.257 -0.067 20 5 CBBDMO O=[N+]([O-])c1cnn(CCN2CCNCC[NH2+]CC2)c1 ZINC000923462599 658290654 /nfs/dbraw/zinc/29/06/54/658290654.db2.gz LUKOQYVNPQCYRI-UHFFFAOYSA-N 1 1 268.321 -0.714 20 5 CBBDMO C[N@H+]1CC[C@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000928569605 659049758 /nfs/dbraw/zinc/04/97/58/659049758.db2.gz NJZNIEQRNOCUDE-QMMMGPOBSA-N 1 1 253.262 -0.388 20 5 CBBDMO C[N@H+]1CCC[C@@H](N2CCN(CC[N+](=O)[O-])CC2)C1 ZINC000929982364 659191604 /nfs/dbraw/zinc/19/16/04/659191604.db2.gz SSJMNWUQGNCSCK-GFCCVEGCSA-N 1 1 256.350 -0.025 20 5 CBBDMO COC(=O)CC[N@H+]1CCN(CC[N+](=O)[O-])[C@@H](C)C1 ZINC000930237752 659236305 /nfs/dbraw/zinc/23/63/05/659236305.db2.gz WHLRJRZOQOOTLE-JTQLQIEISA-N 1 1 259.306 -0.168 20 5 CBBDMO CN(C[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1)S(C)(=O)=O ZINC000930440681 659287111 /nfs/dbraw/zinc/28/71/11/659287111.db2.gz DIYIRRBEGVZMKU-JTQLQIEISA-N 1 1 279.362 -0.134 20 5 CBBDMO CN(C[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1)S(C)(=O)=O ZINC000930440681 659287129 /nfs/dbraw/zinc/28/71/29/659287129.db2.gz DIYIRRBEGVZMKU-JTQLQIEISA-N 1 1 279.362 -0.134 20 5 CBBDMO C[N@@H+](CC(N)=O)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985424884 659385076 /nfs/dbraw/zinc/38/50/76/659385076.db2.gz BYFRKCAQWMUOST-NXEZZACHSA-N 1 1 284.316 -0.940 20 5 CBBDMO C[N@H+](CC(N)=O)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985424884 659385081 /nfs/dbraw/zinc/38/50/81/659385081.db2.gz BYFRKCAQWMUOST-NXEZZACHSA-N 1 1 284.316 -0.940 20 5 CBBDMO C[N@@H+](CC(N)=O)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985424884 659385086 /nfs/dbraw/zinc/38/50/86/659385086.db2.gz BYFRKCAQWMUOST-NXEZZACHSA-N 1 1 284.316 -0.940 20 5 CBBDMO CN(C)[C@@H]1[C@H]2C[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000931279877 659424174 /nfs/dbraw/zinc/42/41/74/659424174.db2.gz RLGCEEPHFMHJEP-NDBYEHHHSA-N 1 1 295.343 -0.356 20 5 CBBDMO CN(C)[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000931279877 659424196 /nfs/dbraw/zinc/42/41/96/659424196.db2.gz RLGCEEPHFMHJEP-NDBYEHHHSA-N 1 1 295.343 -0.356 20 5 CBBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H]1CO ZINC000934015804 659757227 /nfs/dbraw/zinc/75/72/27/659757227.db2.gz BWSSTEVYNMWISB-SNVBAGLBSA-N 1 1 253.258 -0.177 20 5 CBBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H]1CO ZINC000934015804 659757233 /nfs/dbraw/zinc/75/72/33/659757233.db2.gz BWSSTEVYNMWISB-SNVBAGLBSA-N 1 1 253.258 -0.177 20 5 CBBDMO COc1ncnc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001164668476 719394125 /nfs/dbraw/zinc/39/41/25/719394125.db2.gz RTOJSIBSYSFHIA-RKDXNWHRSA-N 1 1 295.299 -0.087 20 5 CBBDMO Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC001022064187 790987014 /nfs/dbraw/zinc/98/70/14/790987014.db2.gz ZUMBMCCIYLPALD-JZSSXWJLSA-N 1 1 294.315 -0.783 20 5 CBBDMO CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[NH+](CCO)CC1 ZINC001045437687 801697628 /nfs/dbraw/zinc/69/76/28/801697628.db2.gz YPICSWWZZFFRIO-NXEZZACHSA-N 1 1 271.317 -0.385 20 5 CBBDMO CC(C)OCC(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001124424957 813441146 /nfs/dbraw/zinc/44/11/46/813441146.db2.gz KUIWUFYGLHHNOQ-UHFFFAOYSA-N 1 1 299.331 -0.041 20 5 CBBDMO NC(=O)C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC001323484499 804032068 /nfs/dbraw/zinc/03/20/68/804032068.db2.gz WVVKSTYULYNABC-VIFPVBQESA-N 1 1 267.289 -0.011 20 5 CBBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NCC[NH+]1CCC1 ZINC001323513053 804036194 /nfs/dbraw/zinc/03/61/94/804036194.db2.gz AKRAYFUUFZJRBZ-UHFFFAOYSA-N 1 1 253.262 -0.236 20 5 CBBDMO C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1C[N@H+](C)CCO1 ZINC001324126388 804111321 /nfs/dbraw/zinc/11/13/21/804111321.db2.gz BKPCXDMXHBZYDM-DTWKUNHWSA-N 1 1 298.303 -0.978 20 5 CBBDMO C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1C[N@@H+](C)CCO1 ZINC001324126388 804111323 /nfs/dbraw/zinc/11/13/23/804111323.db2.gz BKPCXDMXHBZYDM-DTWKUNHWSA-N 1 1 298.303 -0.978 20 5 CBBDMO COc1nc(C)c([N+](=O)[O-])c(-n2cnc(C[NH3+])cc2=N)n1 ZINC001156625103 815371449 /nfs/dbraw/zinc/37/14/49/815371449.db2.gz YYJGXSZCLCKRQN-UHFFFAOYSA-N 1 1 291.271 -0.174 20 5 CBBDMO CC[C@]([NH3+])(CO)Nc1ncc([N+](=O)[O-])c(OC)n1 ZINC001159739747 815591209 /nfs/dbraw/zinc/59/12/09/815591209.db2.gz MYRNAONHOYPKQE-SECBINFHSA-N 1 1 257.250 -0.137 20 5 CBBDMO COC(=O)[C@@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(N)n1 ZINC001157774045 815465435 /nfs/dbraw/zinc/46/54/35/815465435.db2.gz VDHFPYDNFAQQKF-VIFPVBQESA-N 1 1 295.299 -0.135 20 5 CBBDMO COC(=O)[C@@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c(N)n1 ZINC001157774045 815465438 /nfs/dbraw/zinc/46/54/38/815465438.db2.gz VDHFPYDNFAQQKF-VIFPVBQESA-N 1 1 295.299 -0.135 20 5 CBBDMO CCOCC[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157775623 815465976 /nfs/dbraw/zinc/46/59/76/815465976.db2.gz SHPWPAIJPPYKCD-NXEZZACHSA-N 1 1 259.306 -0.216 20 5 CBBDMO Cn1cnnc1C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157760704 815463139 /nfs/dbraw/zinc/46/31/39/815463139.db2.gz HQIXLQXNJGHCMM-RKDXNWHRSA-N 1 1 282.304 -0.924 20 5 CBBDMO COc1nc(C)c([N+](=O)[O-])c(-n2cnc(C[NH3+])n2)n1 ZINC001157928924 815485034 /nfs/dbraw/zinc/48/50/34/815485034.db2.gz RMOLGOIRJNGAEE-UHFFFAOYSA-N 1 1 265.233 -0.259 20 5 CBBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001117737930 812441476 /nfs/dbraw/zinc/44/14/76/812441476.db2.gz XUVQGWJHZHOZTB-IUCAKERBSA-N 1 1 295.299 -0.401 20 5 CBBDMO COC(=O)[C@@H]1C[NH+](CC[N+](=O)[O-])C[C@H]1C(=O)OC ZINC001120366959 812954215 /nfs/dbraw/zinc/95/42/15/812954215.db2.gz ZEUZDUSBJCZVOV-HTQZYQBOSA-N 1 1 260.246 -0.843 20 5 CBBDMO Cc1nc(C)n(CC[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001126936891 813696465 /nfs/dbraw/zinc/69/64/65/813696465.db2.gz WLYWKYBIYIOLFE-GHMZBOCLSA-N 1 1 296.331 -0.734 20 5 CBBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])N1CCCCC1 ZINC001126943467 813696483 /nfs/dbraw/zinc/69/64/83/813696483.db2.gz PBUYSGITNIPTPR-GHMZBOCLSA-N 1 1 298.343 -0.630 20 5 CBBDMO Cn1cc(CC[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001126936281 813697270 /nfs/dbraw/zinc/69/72/70/813697270.db2.gz DVCHJZMDYRSNNQ-GHMZBOCLSA-N 1 1 281.316 -0.666 20 5 CBBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])NC1CCCC1 ZINC001126936981 813697585 /nfs/dbraw/zinc/69/75/85/813697585.db2.gz ZSAAOLVZTPWGHA-GHMZBOCLSA-N 1 1 298.343 -0.584 20 5 CBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1cnco1 ZINC001132030305 814094926 /nfs/dbraw/zinc/09/49/26/814094926.db2.gz PHCDNZFXMKSQGH-UHFFFAOYSA-N 1 1 294.271 -0.164 20 5 CBBDMO [NH3+][C@@H]1NCN(c2nccc(Cl)c2[N+](=O)[O-])[C@@H]2NCN[C@@H]21 ZINC001162437849 815819781 /nfs/dbraw/zinc/81/97/81/815819781.db2.gz WJMDGCZWWGGCNC-VDAHYXPESA-N 1 1 299.722 -0.860 20 5 CBBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC([NH2+]C2COC2)C1 ZINC001304209103 816783210 /nfs/dbraw/zinc/78/32/10/816783210.db2.gz VOOLGFHEBOSQJU-UHFFFAOYSA-N 1 1 280.284 -0.254 20 5 CBBDMO CC[C@H](CO)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001307803226 816809013 /nfs/dbraw/zinc/80/90/13/816809013.db2.gz APHRNRDWLUDIIM-MWLCHTKSSA-N 1 1 272.305 -0.145 20 5 CBBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001317997162 817061066 /nfs/dbraw/zinc/06/10/66/817061066.db2.gz SSIZHSYTGCGMIM-ZJUUUORDSA-N 1 1 294.315 -0.071 20 5 CBBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001317997159 817061477 /nfs/dbraw/zinc/06/14/77/817061477.db2.gz SSIZHSYTGCGMIM-NXEZZACHSA-N 1 1 294.315 -0.071 20 5 CBBDMO O=C(NCCC1CC[NH+](CCO)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001319018576 817159364 /nfs/dbraw/zinc/15/93/64/817159364.db2.gz ADYGTBQOLCOKGV-VXGBXAGGSA-N 1 1 285.344 -0.138 20 5 CBBDMO O=C(Cn1cnc([N+](=O)[O-])n1)NCC[N@H+]1CCCOCC1 ZINC001320698063 817378484 /nfs/dbraw/zinc/37/84/84/817378484.db2.gz FEKIUAKGYVFYBZ-UHFFFAOYSA-N 1 1 298.303 -0.975 20 5 CBBDMO Cn1cc([N+](=O)[O-])c(NCC[N@@H+](C)CCOCCO)n1 ZINC001163984298 819876942 /nfs/dbraw/zinc/87/69/42/819876942.db2.gz SKHSTOBPAFCIBW-UHFFFAOYSA-N 1 1 287.320 -0.319 20 5 CBBDMO COc1nc(N2CC[NH2+][C@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC001166724430 820026256 /nfs/dbraw/zinc/02/62/56/820026256.db2.gz UQHFSMISRIWMTQ-ZETCQYMHSA-N 1 1 281.272 -0.738 20 5 CBBDMO NC(=O)[C@H]1CN(c2cc([N+](=O)[O-])ccn2)CC[NH2+]1 ZINC001166724634 820026534 /nfs/dbraw/zinc/02/65/34/820026534.db2.gz WAFOGADSVFUITD-MRVPVSSYSA-N 1 1 251.246 -0.747 20 5 CBBDMO Cc1c[n+]([O-])c(-n2cnc(C[NH3+])cc2=N)cc1[N+](=O)[O-] ZINC001167351150 820083810 /nfs/dbraw/zinc/08/38/10/820083810.db2.gz FPNGCQPOWWCUNB-UHFFFAOYSA-N 1 1 276.256 -0.340 20 5 CBBDMO [NH3+]Cc1ncn(-c2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])n1 ZINC001168750352 820175090 /nfs/dbraw/zinc/17/50/90/820175090.db2.gz UKRIRAAWKGSUSY-UHFFFAOYSA-N 1 1 270.636 -0.079 20 5 CBBDMO NC(=O)[C@@H]1C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCO1 ZINC001169040202 820202235 /nfs/dbraw/zinc/20/22/35/820202235.db2.gz YRALAMBUAXGTTR-UTLUCORTSA-N 1 1 257.290 -0.382 20 5 CBBDMO O=C1CO[C@@H]2CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C[C@H]2N1 ZINC001170905220 820336165 /nfs/dbraw/zinc/33/61/65/820336165.db2.gz MYQCMABIZZDDOK-NXEZZACHSA-N 1 1 295.299 -0.619 20 5 CBBDMO O=C1CO[C@@H]2CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C[C@H]2N1 ZINC001170905220 820336176 /nfs/dbraw/zinc/33/61/76/820336176.db2.gz MYQCMABIZZDDOK-NXEZZACHSA-N 1 1 295.299 -0.619 20 5 CBBDMO O=C(NCC1([NH2+]CCO)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001280480560 828355730 /nfs/dbraw/zinc/35/57/30/828355730.db2.gz SWCLOEQRKHUTPY-RKDXNWHRSA-N 1 1 257.290 -0.728 20 5 CBBDMO CC(C)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001265476849 826898733 /nfs/dbraw/zinc/89/87/33/826898733.db2.gz SDUYDDVNOFHVKD-GWOFURMSSA-N 1 1 298.343 -0.587 20 5 CBBDMO [NH3+]CC1(O)CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC001326421319 885023421 /nfs/dbraw/zinc/02/34/21/885023421.db2.gz PUULIKMOBZKCFG-UHFFFAOYSA-N 1 1 269.305 -0.423 20 5 CBBDMO C[C@H]1[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC001332477416 887310988 /nfs/dbraw/zinc/31/09/88/887310988.db2.gz KDFPVPVWZOHNPX-VHSXEESVSA-N 1 1 294.311 -0.035 20 5 CBBDMO CN1C(=O)NC2(CC[NH+](CC[N+](=O)[O-])CC2)C1=O ZINC001333730199 887756444 /nfs/dbraw/zinc/75/64/44/887756444.db2.gz PXAWQQUQADSZBZ-UHFFFAOYSA-N 1 1 256.262 -0.721 20 5 CBBDMO C[C@H](c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C)[N+](=O)[O-] ZINC001338207306 889124619 /nfs/dbraw/zinc/12/46/19/889124619.db2.gz AHTXJCXBPIZFFV-ZJUUUORDSA-N 1 1 296.331 -0.326 20 5 CBBDMO C[C@H](c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C)[N+](=O)[O-] ZINC001338207306 889124628 /nfs/dbraw/zinc/12/46/28/889124628.db2.gz AHTXJCXBPIZFFV-ZJUUUORDSA-N 1 1 296.331 -0.326 20 5 CBBDMO C[C@@H](c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C)[N+](=O)[O-] ZINC001338207305 889125599 /nfs/dbraw/zinc/12/55/99/889125599.db2.gz AHTXJCXBPIZFFV-VHSXEESVSA-N 1 1 296.331 -0.326 20 5 CBBDMO C[C@@H](c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C)[N+](=O)[O-] ZINC001338207305 889125602 /nfs/dbraw/zinc/12/56/02/889125602.db2.gz AHTXJCXBPIZFFV-VHSXEESVSA-N 1 1 296.331 -0.326 20 5 CBBDMO O=CN1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001347758151 890509444 /nfs/dbraw/zinc/50/94/44/890509444.db2.gz ALIMCOYVRZBQSK-GFCCVEGCSA-N 1 1 297.315 -0.684 20 5 CBBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@@H+]1C ZINC001350999878 891087368 /nfs/dbraw/zinc/08/73/68/891087368.db2.gz FQKHZQJXLNGVTI-SSDOTTSWSA-N 1 1 253.262 -0.238 20 5 CBBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@H+]1C ZINC001350999878 891087378 /nfs/dbraw/zinc/08/73/78/891087378.db2.gz FQKHZQJXLNGVTI-SSDOTTSWSA-N 1 1 253.262 -0.238 20 5 CBBDMO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1nnnn1C ZINC001356533413 891776508 /nfs/dbraw/zinc/77/65/08/891776508.db2.gz DECWMAAWRAUMRP-CBAPKCEASA-N 1 1 296.291 -0.974 20 5 CBBDMO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1nnnn1C ZINC001356533418 891776825 /nfs/dbraw/zinc/77/68/25/891776825.db2.gz DECWMAAWRAUMRP-VXNVDRBHSA-N 1 1 296.291 -0.974 20 5 CBBDMO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC([NH2+]C2COC2)C1 ZINC001456517059 914483165 /nfs/dbraw/zinc/48/31/65/914483165.db2.gz OXLPLGJRPAZSGN-UHFFFAOYSA-N 1 1 266.257 -0.264 20 5 CBBDMO Cc1nn(C)c(N2CC([NH2+]C3COC3)C2)c1[N+](=O)[O-] ZINC001458644165 914668772 /nfs/dbraw/zinc/66/87/72/914668772.db2.gz WGIIXVUNSMTHCU-UHFFFAOYSA-N 1 1 267.289 -0.186 20 5 CBBDMO Cn1cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)nn1 ZINC001461312786 914853722 /nfs/dbraw/zinc/85/37/22/914853722.db2.gz GKAYLBTXRFANBH-UHFFFAOYSA-N 1 1 251.250 -0.290 20 5 CBBDMO NC(=O)[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[NH2+]1 ZINC001472648968 915755946 /nfs/dbraw/zinc/75/59/46/915755946.db2.gz VWKXAAPXEIPURA-SNVBAGLBSA-N 1 1 290.283 -0.265 20 5 CBBDMO COC[C@@](C)(CO)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC001473710807 915846436 /nfs/dbraw/zinc/84/64/36/915846436.db2.gz GJQJLHRAXICZJQ-SNVBAGLBSA-N 1 1 258.278 -0.185 20 5 CBBDMO Cc1noc(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)c1[N+](=O)[O-] ZINC001473736530 915855988 /nfs/dbraw/zinc/85/59/88/915855988.db2.gz HPKXTJALJFRZJJ-DTORHVGOSA-N 1 1 271.273 -0.076 20 5 CBBDMO Cc1noc(C[N@H+]2C[C@H](CO)[C@H](CO)C2)c1[N+](=O)[O-] ZINC001473736530 915855998 /nfs/dbraw/zinc/85/59/98/915855998.db2.gz HPKXTJALJFRZJJ-DTORHVGOSA-N 1 1 271.273 -0.076 20 5 CBBDMO Cn1cc(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)c([N+](=O)[O-])n1 ZINC001473737292 915857084 /nfs/dbraw/zinc/85/70/84/915857084.db2.gz YNJLPLHLILRYHM-AOOOYVTPSA-N 1 1 270.289 -0.639 20 5 CBBDMO Cn1cc(C[N@H+]2C[C@H](CO)[C@H](CO)C2)c([N+](=O)[O-])n1 ZINC001473737292 915857103 /nfs/dbraw/zinc/85/71/03/915857103.db2.gz YNJLPLHLILRYHM-AOOOYVTPSA-N 1 1 270.289 -0.639 20 5 CBBDMO Cn1cc(C[N@@H+]2C[C@H](CCO)[C@H](CO)C2)c([N+](=O)[O-])n1 ZINC001473894410 915878337 /nfs/dbraw/zinc/87/83/37/915878337.db2.gz XGDFYTVPEQTUAO-ONGXEEELSA-N 1 1 284.316 -0.249 20 5 CBBDMO CN(CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)C(N)=O ZINC001482624366 917183352 /nfs/dbraw/zinc/18/33/52/917183352.db2.gz MGXBYUBJAQSEOL-UHFFFAOYSA-N 1 1 294.311 -0.030 20 5 CBBDMO CN(CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)C(N)=O ZINC001482624366 917183362 /nfs/dbraw/zinc/18/33/62/917183362.db2.gz MGXBYUBJAQSEOL-UHFFFAOYSA-N 1 1 294.311 -0.030 20 5 CBBDMO CCN(CC[NH2+]CCOC)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001482924808 917338176 /nfs/dbraw/zinc/33/81/76/917338176.db2.gz MHPMUQWNYPLRKF-NXEZZACHSA-N 1 1 259.306 -0.264 20 5 CBBDMO CC[NH+]1CCN(C(=O)CNc2nn(C)cc2[N+](=O)[O-])CC1 ZINC001559096149 924212734 /nfs/dbraw/zinc/21/27/34/924212734.db2.gz AHSQODQJBNFIHK-UHFFFAOYSA-N 1 1 296.331 -0.096 20 5 CBBDMO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C[C@@H]1CO ZINC001559253729 924217239 /nfs/dbraw/zinc/21/72/39/924217239.db2.gz JVYWYEZRRCUMKD-SECBINFHSA-N 1 1 295.299 -0.799 20 5 CBBDMO C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C[C@@H]1CO ZINC001559253729 924217257 /nfs/dbraw/zinc/21/72/57/924217257.db2.gz JVYWYEZRRCUMKD-SECBINFHSA-N 1 1 295.299 -0.799 20 5 CBBDMO CC[N@@H+](CCO)CCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000274483931 352538648 /nfs/dbraw/zinc/53/86/48/352538648.db2.gz ARONVUORCPHAIA-UHFFFAOYSA-N 1 1 285.304 -0.778 20 5 CBBDMO NC(=O)[C@@H]1CN(c2ncccc2[N+](=O)[O-])CC[NH2+]1 ZINC000011174004 351329778 /nfs/dbraw/zinc/32/97/78/351329778.db2.gz CPFKWUMDYMOUAS-ZETCQYMHSA-N 1 1 251.246 -0.747 20 5 CBBDMO C[NH+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000070262509 351638074 /nfs/dbraw/zinc/63/80/74/351638074.db2.gz WQCFJWSXYDMRNE-UHFFFAOYSA-N 1 1 253.262 -0.435 20 5 CBBDMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075619332 351668713 /nfs/dbraw/zinc/66/87/13/351668713.db2.gz CBHQIGJJZIUTHK-SNVBAGLBSA-N 1 1 285.304 -0.828 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCOCC2)c1 ZINC000075675099 351670127 /nfs/dbraw/zinc/67/01/27/351670127.db2.gz UTHXONVXZYEHDT-NSHDSACASA-N 1 1 270.289 -0.126 20 5 CBBDMO C[C@@]1(O)CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000124082613 187121528 /nfs/dbraw/zinc/12/15/28/187121528.db2.gz ICPORKCTRWXGMI-NWDGAFQWSA-N 1 1 284.316 -0.001 20 5 CBBDMO O=C(NCCC[NH+]1CCOCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000140255004 351924625 /nfs/dbraw/zinc/92/46/25/351924625.db2.gz ULTIUHDNDACPNJ-UHFFFAOYSA-N 1 1 283.288 -0.230 20 5 CBBDMO NC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[NH2+]1 ZINC000140020526 351924711 /nfs/dbraw/zinc/92/47/11/351924711.db2.gz WGMICMDCLGDYEV-MRVPVSSYSA-N 1 1 251.246 -0.747 20 5 CBBDMO O=C(Cn1ccc([N+](=O)[O-])n1)NCCC[NH+]1CCOCC1 ZINC000143064502 351925598 /nfs/dbraw/zinc/92/55/98/351925598.db2.gz KAHBOZLCVWYKEH-UHFFFAOYSA-N 1 1 297.315 -0.370 20 5 CBBDMO NC(=O)[C@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CC[NH2+]1 ZINC000148180513 351929251 /nfs/dbraw/zinc/92/92/51/351929251.db2.gz DEFJPFQHQSZIFC-ZCFIWIBFSA-N 1 1 296.312 -0.433 20 5 CBBDMO O=C(NCCCN1CCOCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000158999107 351960622 /nfs/dbraw/zinc/96/06/22/351960622.db2.gz RAVWZZNWSWBIBW-UHFFFAOYSA-N 1 1 283.288 -0.230 20 5 CBBDMO O=C(NCCC[NH+]1CCOCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000158999107 351960628 /nfs/dbraw/zinc/96/06/28/351960628.db2.gz RAVWZZNWSWBIBW-UHFFFAOYSA-N 1 1 283.288 -0.230 20 5 CBBDMO COCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C)C(N)=O ZINC000176235033 352063050 /nfs/dbraw/zinc/06/30/50/352063050.db2.gz ZVQNJJAJYDSKMM-VIFPVBQESA-N 1 1 285.304 -0.387 20 5 CBBDMO COCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C)C(N)=O ZINC000176235033 352063052 /nfs/dbraw/zinc/06/30/52/352063052.db2.gz ZVQNJJAJYDSKMM-VIFPVBQESA-N 1 1 285.304 -0.387 20 5 CBBDMO O=C1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCN1 ZINC000176229086 352063389 /nfs/dbraw/zinc/06/33/89/352063389.db2.gz XWACCARHQZMCGW-UHFFFAOYSA-N 1 1 253.262 -0.387 20 5 CBBDMO COCCCNC(=O)C[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176218645 352063560 /nfs/dbraw/zinc/06/35/60/352063560.db2.gz LCDGCTMMPPOENZ-UHFFFAOYSA-N 1 1 299.331 -0.124 20 5 CBBDMO COCCCNC(=O)C[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176218645 352063562 /nfs/dbraw/zinc/06/35/62/352063562.db2.gz LCDGCTMMPPOENZ-UHFFFAOYSA-N 1 1 299.331 -0.124 20 5 CBBDMO C[N@H+](CC(=O)NC1CC1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173501274 352037552 /nfs/dbraw/zinc/03/75/52/352037552.db2.gz DRADBXSIQGBFMK-NSHDSACASA-N 1 1 297.315 -0.637 20 5 CBBDMO NC(=O)c1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC000186519776 352128128 /nfs/dbraw/zinc/12/81/28/352128128.db2.gz PGCQDIKYMJFMTI-QWRGUYRKSA-N 1 1 295.295 -0.379 20 5 CBBDMO NC(=O)c1ccc(C[N@H+]2C[C@@H](O)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC000186519776 352128130 /nfs/dbraw/zinc/12/81/30/352128130.db2.gz PGCQDIKYMJFMTI-QWRGUYRKSA-N 1 1 295.295 -0.379 20 5 CBBDMO C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@H+]1CCO ZINC000187696465 352140971 /nfs/dbraw/zinc/14/09/71/352140971.db2.gz KYACOVYKPWDWAA-LLVKDONJSA-N 1 1 283.332 -0.210 20 5 CBBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@H](O)C[C@H]2CO)c1 ZINC000248390293 352351794 /nfs/dbraw/zinc/35/17/94/352351794.db2.gz HYFHKAKOLMQRPL-WCBMZHEXSA-N 1 1 256.262 -0.781 20 5 CBBDMO C[C@]1(O)CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000248342721 352351974 /nfs/dbraw/zinc/35/19/74/352351974.db2.gz JSRDGCSYONGVEG-MNOVXSKESA-N 1 1 270.289 -0.391 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000246818827 352338811 /nfs/dbraw/zinc/33/88/11/352338811.db2.gz CCJMQDKFHNTXMF-WCQYABFASA-N 1 1 295.343 -0.068 20 5 CBBDMO C[C@H](O)C[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247525560 352347489 /nfs/dbraw/zinc/34/74/89/352347489.db2.gz NTJYTNGCEUJWMW-WCBMZHEXSA-N 1 1 258.278 -0.535 20 5 CBBDMO CC1(C)C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1O ZINC000279690726 352585674 /nfs/dbraw/zinc/58/56/74/352585674.db2.gz GBSAQVXVZXYOPY-GHMZBOCLSA-N 1 1 284.316 -0.145 20 5 CBBDMO C[NH+]1CCN(C(=O)CCn2nccc2[N+](=O)[O-])CC1 ZINC000286782449 352649391 /nfs/dbraw/zinc/64/93/91/352649391.db2.gz ZBISKFYLYPCCKE-UHFFFAOYSA-N 1 1 267.289 -0.045 20 5 CBBDMO CC[NH+]1CCN(C(=O)CNc2c([N+](=O)[O-])ncn2C)CC1 ZINC000299314586 352722206 /nfs/dbraw/zinc/72/22/06/352722206.db2.gz DVZJXKOTJCCXJC-UHFFFAOYSA-N 1 1 296.331 -0.096 20 5 CBBDMO NC(=O)C[NH+]1CCC(Nc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000301126074 352734960 /nfs/dbraw/zinc/73/49/60/352734960.db2.gz WGSDRSBQDLXGAT-UHFFFAOYSA-N 1 1 295.303 -0.671 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](O)C2)c1 ZINC000330403383 352819936 /nfs/dbraw/zinc/81/99/36/352819936.db2.gz BYJJXERTCMSEHA-NXEZZACHSA-N 1 1 256.262 -0.781 20 5 CBBDMO C[NH+]1CCN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)CC1 ZINC000330496494 352834252 /nfs/dbraw/zinc/83/42/52/352834252.db2.gz VCHMKAQQNPTTBM-UHFFFAOYSA-N 1 1 280.284 -0.470 20 5 CBBDMO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCNC1=O ZINC000340221253 353158370 /nfs/dbraw/zinc/15/83/70/353158370.db2.gz OSCIOUPANUAXSI-VIFPVBQESA-N 1 1 253.262 -0.388 20 5 CBBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCNC1=O ZINC000340221253 353158373 /nfs/dbraw/zinc/15/83/73/353158373.db2.gz OSCIOUPANUAXSI-VIFPVBQESA-N 1 1 253.262 -0.388 20 5 CBBDMO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCNC1=O ZINC000340227051 353159368 /nfs/dbraw/zinc/15/93/68/353159368.db2.gz VLCKQANVMMCKJU-QMMMGPOBSA-N 1 1 253.262 -0.388 20 5 CBBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCNC1=O ZINC000340227051 353159371 /nfs/dbraw/zinc/15/93/71/353159371.db2.gz VLCKQANVMMCKJU-QMMMGPOBSA-N 1 1 253.262 -0.388 20 5 CBBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000153727129 188100142 /nfs/dbraw/zinc/10/01/42/188100142.db2.gz SMQHZYZKKMIKFH-JTQLQIEISA-N 1 1 296.331 -0.015 20 5 CBBDMO C[C@@H]1[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CCC[N@H+]1C ZINC000343565592 353278845 /nfs/dbraw/zinc/27/88/45/353278845.db2.gz RUSZWJHHLGXTAD-BDAKNGLRSA-N 1 1 282.304 -0.215 20 5 CBBDMO CN(C)C(=O)C[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000157439008 188317536 /nfs/dbraw/zinc/31/75/36/188317536.db2.gz XWGITUIISLDTQQ-UHFFFAOYSA-N 1 1 255.278 -0.189 20 5 CBBDMO CN(C)C(=O)C[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000157439008 188317538 /nfs/dbraw/zinc/31/75/38/188317538.db2.gz XWGITUIISLDTQQ-UHFFFAOYSA-N 1 1 255.278 -0.189 20 5 CBBDMO NC(=O)C[C@@H]([NH3+])C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000353092270 353521005 /nfs/dbraw/zinc/52/10/05/353521005.db2.gz XVMOHPNRNWBKDC-SNVBAGLBSA-N 1 1 295.299 -0.674 20 5 CBBDMO C[N@H+]1CCC[C@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000353960102 353536648 /nfs/dbraw/zinc/53/66/48/353536648.db2.gz MUQOHMCTLVAPCV-QMMMGPOBSA-N 1 1 268.277 -0.603 20 5 CBBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000358058900 353623484 /nfs/dbraw/zinc/62/34/84/353623484.db2.gz RKVYVEZAYLSMKO-NSHDSACASA-N 1 1 268.273 -0.281 20 5 CBBDMO Cc1n[nH]c(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000358060121 353623851 /nfs/dbraw/zinc/62/38/51/353623851.db2.gz DVIHCUAUPFOCSG-NSHDSACASA-N 1 1 283.288 -0.577 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CC(O)(C3CC3)C2)c1 ZINC000372689280 353721277 /nfs/dbraw/zinc/72/12/77/353721277.db2.gz DACUBDPAYUXBPB-LLVKDONJSA-N 1 1 282.300 -0.391 20 5 CBBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000408071593 353843761 /nfs/dbraw/zinc/84/37/61/353843761.db2.gz OBBLRIXXDNAFCG-RKDXNWHRSA-N 1 1 282.304 -0.263 20 5 CBBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000408087474 353846309 /nfs/dbraw/zinc/84/63/09/353846309.db2.gz BBDDRQMZOYJMLF-VIFPVBQESA-N 1 1 280.288 -0.507 20 5 CBBDMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000416309487 353968241 /nfs/dbraw/zinc/96/82/41/353968241.db2.gz NGALURTYSHWTIN-IUCAKERBSA-N 1 1 297.315 -0.155 20 5 CBBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000416309487 353968243 /nfs/dbraw/zinc/96/82/43/353968243.db2.gz NGALURTYSHWTIN-IUCAKERBSA-N 1 1 297.315 -0.155 20 5 CBBDMO COC(=O)[C@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[N@@H+](C)C1 ZINC000413505579 353956438 /nfs/dbraw/zinc/95/64/38/353956438.db2.gz VBGIFJXAPMVXQJ-SECBINFHSA-N 1 1 297.315 -0.131 20 5 CBBDMO CC[C@@]1(O)CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000495194069 354499380 /nfs/dbraw/zinc/49/93/80/354499380.db2.gz NNGSRXUOCYYIJJ-NWDGAFQWSA-N 1 1 284.316 -0.001 20 5 CBBDMO C[C@@H]1CC[N@@H+](CCNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000525291967 354571342 /nfs/dbraw/zinc/57/13/42/354571342.db2.gz VHHGNDDFRPCCBF-SECBINFHSA-N 1 1 282.304 -0.356 20 5 CBBDMO COC[C@]1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000570962841 354873605 /nfs/dbraw/zinc/87/36/05/354873605.db2.gz KCDUARWHWBDTFB-LLVKDONJSA-N 1 1 283.288 -0.184 20 5 CBBDMO Cc1[nH]nc(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000573631873 354917983 /nfs/dbraw/zinc/91/79/83/354917983.db2.gz DFDAHGBDNNSCDJ-YUMQZZPRSA-N 1 1 283.288 -0.627 20 5 CBBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000573803528 354921874 /nfs/dbraw/zinc/92/18/74/354921874.db2.gz AKHBFWKOGYQQML-LLVKDONJSA-N 1 1 285.279 -0.049 20 5 CBBDMO CN1C[C@@H]2CC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000590010455 355072862 /nfs/dbraw/zinc/07/28/62/355072862.db2.gz IUZBDAOGKHMKIG-CYZMBNFOSA-N 1 1 295.343 -0.212 20 5 CBBDMO C[N@@H+]1C[C@@H]2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000590010455 355072863 /nfs/dbraw/zinc/07/28/63/355072863.db2.gz IUZBDAOGKHMKIG-CYZMBNFOSA-N 1 1 295.343 -0.212 20 5 CBBDMO C[N@H+]1C[C@@H]2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000590010455 355072865 /nfs/dbraw/zinc/07/28/65/355072865.db2.gz IUZBDAOGKHMKIG-CYZMBNFOSA-N 1 1 295.343 -0.212 20 5 CBBDMO C[N@H+]1C[C@H]2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)[C@@H]2C1 ZINC000590445765 355080811 /nfs/dbraw/zinc/08/08/11/355080811.db2.gz RPAWIOGWPCVYJC-RKDXNWHRSA-N 1 1 280.288 -0.651 20 5 CBBDMO O=C(NC[C@H]1C[N@H+]2CCN1CCC2)c1[nH]ncc1[N+](=O)[O-] ZINC000585682913 355048612 /nfs/dbraw/zinc/04/86/12/355048612.db2.gz XHLNLYHZTSTMFQ-VIFPVBQESA-N 1 1 294.315 -0.562 20 5 CBBDMO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000592198821 355140330 /nfs/dbraw/zinc/14/03/30/355140330.db2.gz OYKQFOSXJUGEKQ-VHSXEESVSA-N 1 1 298.299 -0.353 20 5 CBBDMO O=[N+]([O-])c1cnc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)nc1 ZINC000593507146 355207893 /nfs/dbraw/zinc/20/78/93/355207893.db2.gz CSSYNZCPOTXBRI-SNVBAGLBSA-N 1 1 265.273 -0.360 20 5 CBBDMO O=[N+]([O-])c1cnc(N2CC([N@H+]3CC[C@@H](O)C3)C2)nc1 ZINC000593507146 355207896 /nfs/dbraw/zinc/20/78/96/355207896.db2.gz CSSYNZCPOTXBRI-SNVBAGLBSA-N 1 1 265.273 -0.360 20 5 CBBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593249639 355198359 /nfs/dbraw/zinc/19/83/59/355198359.db2.gz IKZIURHLQWNCNM-LLVKDONJSA-N 1 1 294.311 -0.176 20 5 CBBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593249639 355198361 /nfs/dbraw/zinc/19/83/61/355198361.db2.gz IKZIURHLQWNCNM-LLVKDONJSA-N 1 1 294.311 -0.176 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@]3(O)C[C@H]3C2)c1 ZINC000595757618 355305346 /nfs/dbraw/zinc/30/53/46/355305346.db2.gz NZVOCDSYWWRSQB-ZMLRMANQSA-N 1 1 282.300 -0.391 20 5 CBBDMO C[NH+](C)C[C@@H](CO)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000597654560 355403654 /nfs/dbraw/zinc/40/36/54/355403654.db2.gz UJLDWSBYAUBWHB-VIFPVBQESA-N 1 1 283.284 -0.047 20 5 CBBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2C[C@@H]([NH3+])C2)n1 ZINC000599097021 355463335 /nfs/dbraw/zinc/46/33/35/355463335.db2.gz ARXHANBJWSMXIP-OLQVQODUSA-N 1 1 275.290 -0.904 20 5 CBBDMO C[C@@H](CCC[NH3+])NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599108249 355464594 /nfs/dbraw/zinc/46/45/94/355464594.db2.gz NZAXXVIDIBPKGX-ZETCQYMHSA-N 1 1 291.333 -0.266 20 5 CBBDMO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000599940246 355519933 /nfs/dbraw/zinc/51/99/33/355519933.db2.gz NDZACYUSOMZZIC-RKDXNWHRSA-N 1 1 295.299 -0.401 20 5 CBBDMO O=C(NC1CC([NH+]2CCOCC2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000600067391 355525039 /nfs/dbraw/zinc/52/50/39/355525039.db2.gz UNCWLNHJADQJPX-UHFFFAOYSA-N 1 1 295.299 -0.089 20 5 CBBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000600807350 355566388 /nfs/dbraw/zinc/56/63/88/355566388.db2.gz BBSARXISUJYFPT-ZETCQYMHSA-N 1 1 269.261 -0.886 20 5 CBBDMO C[N@H+]1CCC[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000609257903 355767180 /nfs/dbraw/zinc/76/71/80/355767180.db2.gz RXRLTBNWXDCAMK-MRVPVSSYSA-N 1 1 268.277 -0.603 20 5 CBBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000609345062 355768658 /nfs/dbraw/zinc/76/86/58/355768658.db2.gz SBOIYWPOXIDFOE-MRVPVSSYSA-N 1 1 280.288 -0.461 20 5 CBBDMO CNC(=O)C[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000611821772 355812703 /nfs/dbraw/zinc/81/27/03/355812703.db2.gz VLHOUDDKVQSAND-UHFFFAOYSA-N 1 1 255.278 -0.222 20 5 CBBDMO CNC(=O)C[N@@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000611821772 355812705 /nfs/dbraw/zinc/81/27/05/355812705.db2.gz VLHOUDDKVQSAND-UHFFFAOYSA-N 1 1 255.278 -0.222 20 5 CBBDMO C[N@@H+](CCCO)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000281931793 372930362 /nfs/dbraw/zinc/93/03/62/372930362.db2.gz SNNHOMBEGMQKGU-JTQLQIEISA-N 1 1 258.278 -0.534 20 5 CBBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285831254 372943837 /nfs/dbraw/zinc/94/38/37/372943837.db2.gz SFWHYISECGPRNW-SECBINFHSA-N 1 1 297.315 -0.153 20 5 CBBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1COC[C@@H]1O ZINC000352795689 373107723 /nfs/dbraw/zinc/10/77/23/373107723.db2.gz UAQZAFHYQQSVJK-IUCAKERBSA-N 1 1 256.262 -0.517 20 5 CBBDMO COC(=O)[C@H](C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000361636570 373320076 /nfs/dbraw/zinc/32/00/76/373320076.db2.gz IFRPLTLIAVRURD-WCBMZHEXSA-N 1 1 286.288 -0.355 20 5 CBBDMO COC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000361636570 373320086 /nfs/dbraw/zinc/32/00/86/373320086.db2.gz IFRPLTLIAVRURD-WCBMZHEXSA-N 1 1 286.288 -0.355 20 5 CBBDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1CO ZINC000362089706 373367297 /nfs/dbraw/zinc/36/72/97/373367297.db2.gz JUQJNGNJBWVYKM-FOGDFJRCSA-N 1 1 284.316 -0.288 20 5 CBBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000363269611 373485484 /nfs/dbraw/zinc/48/54/84/373485484.db2.gz JCZRKHNBUPKMLK-GWOFURMSSA-N 1 1 269.301 -0.369 20 5 CBBDMO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1CC1[N+](=O)[O-] ZINC000363269611 373485495 /nfs/dbraw/zinc/48/54/95/373485495.db2.gz JCZRKHNBUPKMLK-GWOFURMSSA-N 1 1 269.301 -0.369 20 5 CBBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1CC1[N+](=O)[O-] ZINC000363269611 373485503 /nfs/dbraw/zinc/48/55/03/373485503.db2.gz JCZRKHNBUPKMLK-GWOFURMSSA-N 1 1 269.301 -0.369 20 5 CBBDMO CC(=O)NCC[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000520576775 373832385 /nfs/dbraw/zinc/83/23/85/373832385.db2.gz WCWHFMMFSDYQMK-UHFFFAOYSA-N 1 1 255.278 -0.141 20 5 CBBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000561784855 374301923 /nfs/dbraw/zinc/30/19/23/374301923.db2.gz NAQOLDHVJGWQRK-PWSUYJOCSA-N 1 1 297.311 -0.568 20 5 CBBDMO COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266515208 190263433 /nfs/dbraw/zinc/26/34/33/190263433.db2.gz YRTIZBCRZFMQFT-MWLCHTKSSA-N 1 1 298.299 -0.353 20 5 CBBDMO COC(=O)C1(C)C[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000424142373 207963743 /nfs/dbraw/zinc/96/37/43/207963743.db2.gz XYZAJFAAJABYAI-SNVBAGLBSA-N 1 1 298.299 -0.353 20 5 CBBDMO Cc1nn(C)c(C(=O)NCC(F)(F)C[NH3+])c1[N+](=O)[O-] ZINC000427312231 208059531 /nfs/dbraw/zinc/05/95/31/208059531.db2.gz IEDVNRGGCMTBSE-UHFFFAOYSA-N 1 1 277.231 -0.039 20 5 CBBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCc3nn[nH]c3C2)c1 ZINC000429308300 208119740 /nfs/dbraw/zinc/11/97/40/208119740.db2.gz QLTZOENOUBSYTJ-UHFFFAOYSA-N 1 1 263.261 -0.032 20 5 CBBDMO CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCNC1=O ZINC000440964164 208347823 /nfs/dbraw/zinc/34/78/23/208347823.db2.gz NLPBFMHJEJIQKK-QWRGUYRKSA-N 1 1 297.315 -0.637 20 5 CBBDMO C[C@@H](O)C[N@H+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)[C@@H](C)C1 ZINC000275381089 135105599 /nfs/dbraw/zinc/10/55/99/135105599.db2.gz PDPGNIWGUVTANI-DTWKUNHWSA-N 1 1 296.331 -0.142 20 5 CBBDMO C[C@H](O)C[N@H+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)[C@@H](C)C1 ZINC000275381091 135105809 /nfs/dbraw/zinc/10/58/09/135105809.db2.gz PDPGNIWGUVTANI-IUCAKERBSA-N 1 1 296.331 -0.142 20 5 CBBDMO C[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285076693 196191398 /nfs/dbraw/zinc/19/13/98/196191398.db2.gz MCBSDKLYQVMCSX-ZETCQYMHSA-N 1 1 253.262 -0.001 20 5 CBBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])[C@@H]2C1 ZINC000285642840 196353442 /nfs/dbraw/zinc/35/34/42/196353442.db2.gz FLVBLHBFVKPUGN-ZJUUUORDSA-N 1 1 295.299 -0.137 20 5 CBBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1(CO)CC1 ZINC000285667056 196359956 /nfs/dbraw/zinc/35/99/56/196359956.db2.gz ZKWFLLDQFRPBMZ-JTQLQIEISA-N 1 1 270.289 -0.391 20 5 CBBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC1 ZINC000364934176 420050389 /nfs/dbraw/zinc/05/03/89/420050389.db2.gz JTMDTBDFLXIOIN-MXWKQRLJSA-N 1 1 271.317 -0.433 20 5 CBBDMO C[C@H](CO)[N@@H+]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000364934176 420050390 /nfs/dbraw/zinc/05/03/90/420050390.db2.gz JTMDTBDFLXIOIN-MXWKQRLJSA-N 1 1 271.317 -0.433 20 5 CBBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000364934176 420050394 /nfs/dbraw/zinc/05/03/94/420050394.db2.gz JTMDTBDFLXIOIN-MXWKQRLJSA-N 1 1 271.317 -0.433 20 5 CBBDMO C[C@@H](CO)[N@H+]1CCCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000364957976 420051074 /nfs/dbraw/zinc/05/10/74/420051074.db2.gz XTTKCESFIDAOPW-VIFPVBQESA-N 1 1 296.331 -0.140 20 5 CBBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])CC2)C1 ZINC000365334302 420061700 /nfs/dbraw/zinc/06/17/00/420061700.db2.gz ISIWMHYSQCINBC-XQQFMLRXSA-N 1 1 296.371 -0.110 20 5 CBBDMO C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC000365334302 420061707 /nfs/dbraw/zinc/06/17/07/420061707.db2.gz ISIWMHYSQCINBC-XQQFMLRXSA-N 1 1 296.371 -0.110 20 5 CBBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC000365334302 420061710 /nfs/dbraw/zinc/06/17/10/420061710.db2.gz ISIWMHYSQCINBC-XQQFMLRXSA-N 1 1 296.371 -0.110 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1CN1CCOCC1 ZINC000367972763 420120345 /nfs/dbraw/zinc/12/03/45/420120345.db2.gz DXWLFOXXAMDUBC-QJPTWQEYSA-N 1 1 283.328 -0.025 20 5 CBBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC000368329352 420129013 /nfs/dbraw/zinc/12/90/13/420129013.db2.gz SJXBLWNFXBCRLH-LBPRGKRZSA-N 1 1 281.316 -0.192 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](N2CCOCC2)C1 ZINC000369686233 420163620 /nfs/dbraw/zinc/16/36/20/420163620.db2.gz HVOHYMXGZSGCPM-AXFHLTTASA-N 1 1 269.301 -0.415 20 5 CBBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000419007286 420243284 /nfs/dbraw/zinc/24/32/84/420243284.db2.gz RICBERHOTZAWQF-IUCAKERBSA-N 1 1 296.331 -0.142 20 5 CBBDMO Nc1nc(NC[C@@H]2CCCC[N@H+]2CCO)ncc1[N+](=O)[O-] ZINC000450615655 420298848 /nfs/dbraw/zinc/29/88/48/420298848.db2.gz OOLHUMMAAGGWRS-VIFPVBQESA-N 1 1 296.331 -0.352 20 5 CBBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000358061444 277158689 /nfs/dbraw/zinc/15/86/89/277158689.db2.gz GIWFHEIXJADGGN-CYBMUJFWSA-N 1 1 294.311 -0.027 20 5 CBBDMO C[C@@H](O)C[N@H+](CCO)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000289375894 278394409 /nfs/dbraw/zinc/39/44/09/278394409.db2.gz BUCFEXQGDCWEKL-SECBINFHSA-N 1 1 297.311 -0.131 20 5 CBBDMO C[C@@H](O)C[N@@H+](CCO)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000289375894 278394410 /nfs/dbraw/zinc/39/44/10/278394410.db2.gz BUCFEXQGDCWEKL-SECBINFHSA-N 1 1 297.311 -0.131 20 5 CBBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000567672726 327534156 /nfs/dbraw/zinc/53/41/56/327534156.db2.gz GXEBDVDZDAOMRV-ZCFIWIBFSA-N 1 1 290.230 -0.748 20 5 CBBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000776588661 582355540 /nfs/dbraw/zinc/35/55/40/582355540.db2.gz AJOVJWJPFDTTKD-SDDRHHMPSA-N 1 1 268.269 -0.334 20 5 CBBDMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839781247 583160018 /nfs/dbraw/zinc/16/00/18/583160018.db2.gz LBDLXEBSXWGHIB-HBNTYKKESA-N 1 1 271.317 -0.385 20 5 CBBDMO O=C(NC[C@@H]1CCCC[N@H+]1CCO)[C@@H]1CC1[N+](=O)[O-] ZINC000839781247 583160020 /nfs/dbraw/zinc/16/00/20/583160020.db2.gz LBDLXEBSXWGHIB-HBNTYKKESA-N 1 1 271.317 -0.385 20 5 CBBDMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)[C@@H]1CC1[N+](=O)[O-] ZINC000839781247 583160022 /nfs/dbraw/zinc/16/00/22/583160022.db2.gz LBDLXEBSXWGHIB-HBNTYKKESA-N 1 1 271.317 -0.385 20 5 CBBDMO CC[N@H+]1CC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000882486656 584318516 /nfs/dbraw/zinc/31/85/16/584318516.db2.gz UKVMTYQEZNTCCQ-JTQLQIEISA-N 1 1 294.311 -0.033 20 5 CBBDMO Cn1ncc([N+](=O)[O-])c1N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000894348411 584655771 /nfs/dbraw/zinc/65/57/71/584655771.db2.gz APUFIABISQFXIQ-SECBINFHSA-N 1 1 267.289 -0.417 20 5 CBBDMO Cn1ncc([N+](=O)[O-])c1N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000894348411 584655774 /nfs/dbraw/zinc/65/57/74/584655774.db2.gz APUFIABISQFXIQ-SECBINFHSA-N 1 1 267.289 -0.417 20 5 CBBDMO CN(CC[N@@H+](C)CCO)c1c([N+](=O)[O-])cnn1C ZINC000894592248 584661317 /nfs/dbraw/zinc/66/13/17/584661317.db2.gz RRLYOOIRJCOKRP-UHFFFAOYSA-N 1 1 257.294 -0.311 20 5 CBBDMO CN(CC(=O)N1CC[NH+](C)CC1)c1ncc([N+](=O)[O-])cn1 ZINC000894955198 584667464 /nfs/dbraw/zinc/66/74/64/584667464.db2.gz OTKFYNSUXSECEP-UHFFFAOYSA-N 1 1 294.315 -0.405 20 5 CBBDMO O=C([C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1)N1CCOCC1 ZINC000929198621 659098175 /nfs/dbraw/zinc/09/81/75/659098175.db2.gz HFCOGCJGXIDAGV-LLVKDONJSA-N 1 1 271.317 -0.166 20 5 CBBDMO C[N@@H+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@H](CO)C1 ZINC000912736966 657322875 /nfs/dbraw/zinc/32/28/75/657322875.db2.gz DOUVCMZQVPNALQ-JTQLQIEISA-N 1 1 273.333 -0.043 20 5 CBBDMO C[N@H+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@H](CO)C1 ZINC000912736966 657322882 /nfs/dbraw/zinc/32/28/82/657322882.db2.gz DOUVCMZQVPNALQ-JTQLQIEISA-N 1 1 273.333 -0.043 20 5 CBBDMO CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC[NH2+]CC1 ZINC000923279103 658192826 /nfs/dbraw/zinc/19/28/26/658192826.db2.gz FAKUYJBHVYMTKU-LBPRGKRZSA-N 1 1 283.332 -0.164 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000923331661 658218818 /nfs/dbraw/zinc/21/88/18/658218818.db2.gz MQHMXNHAXGKDQY-CHWSQXEVSA-N 1 1 295.343 -0.162 20 5 CBBDMO Cn1cc(CN2CCNCC[NH2+]CC2)c([N+](=O)[O-])n1 ZINC000923460478 658294613 /nfs/dbraw/zinc/29/46/13/658294613.db2.gz OXUZHICEQFBPJV-UHFFFAOYSA-N 1 1 268.321 -0.677 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923515454 658310837 /nfs/dbraw/zinc/31/08/37/658310837.db2.gz GZXMORMLAOZIDT-DMDPSCGWSA-N 1 1 295.343 -0.307 20 5 CBBDMO CN1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000304332687 790470477 /nfs/dbraw/zinc/47/04/77/790470477.db2.gz OFGQFOJJKOKJTP-LLVKDONJSA-N 1 1 269.305 -0.600 20 5 CBBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@H+](C)[C@H](CO)C1 ZINC000687591237 790652270 /nfs/dbraw/zinc/65/22/70/790652270.db2.gz VHXYEQALXIIYKC-NSHDSACASA-N 1 1 283.332 -0.292 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1 ZINC001117682794 812430629 /nfs/dbraw/zinc/43/06/29/812430629.db2.gz ICGRWMCOYHNZMN-NNYUYHANSA-N 1 1 282.300 -0.678 20 5 CBBDMO Cc1n[nH]c(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC001321717858 803806033 /nfs/dbraw/zinc/80/60/33/803806033.db2.gz HIKGMOIRUNNGAD-VIFPVBQESA-N 1 1 296.331 -0.398 20 5 CBBDMO Cc1n[nH]c(C(=O)NC[C@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-] ZINC001321717858 803806041 /nfs/dbraw/zinc/80/60/41/803806041.db2.gz HIKGMOIRUNNGAD-VIFPVBQESA-N 1 1 296.331 -0.398 20 5 CBBDMO O=C(NCC[NH+]1CC=CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC001322068070 803856434 /nfs/dbraw/zinc/85/64/34/803856434.db2.gz BEWMPNNBGGZOSQ-UHFFFAOYSA-N 1 1 251.246 -0.081 20 5 CBBDMO C[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1C[N@H+](C)CCO1 ZINC001324126390 804110794 /nfs/dbraw/zinc/11/07/94/804110794.db2.gz BKPCXDMXHBZYDM-RKDXNWHRSA-N 1 1 298.303 -0.978 20 5 CBBDMO C[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1C[N@@H+](C)CCO1 ZINC001324126390 804110804 /nfs/dbraw/zinc/11/08/04/804110804.db2.gz BKPCXDMXHBZYDM-RKDXNWHRSA-N 1 1 298.303 -0.978 20 5 CBBDMO N=c1cc(C[NH3+])ncn1-c1ncc([N+](=O)[O-])cc1N ZINC001156624716 815370601 /nfs/dbraw/zinc/37/06/01/815370601.db2.gz XMYXMSHOCIDZQZ-UHFFFAOYSA-N 1 1 261.245 -0.304 20 5 CBBDMO CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1 ZINC001093318246 810651840 /nfs/dbraw/zinc/65/18/40/810651840.db2.gz FAEHHNLYNKJTQT-GHMZBOCLSA-N 1 1 294.315 -0.564 20 5 CBBDMO COC(=O)[C@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(N)n1 ZINC001157774044 815466186 /nfs/dbraw/zinc/46/61/86/815466186.db2.gz VDHFPYDNFAQQKF-SECBINFHSA-N 1 1 295.299 -0.135 20 5 CBBDMO COC(=O)[C@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c(N)n1 ZINC001157774044 815466190 /nfs/dbraw/zinc/46/61/90/815466190.db2.gz VDHFPYDNFAQQKF-SECBINFHSA-N 1 1 295.299 -0.135 20 5 CBBDMO Cn1nccc1C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157760328 815463184 /nfs/dbraw/zinc/46/31/84/815463184.db2.gz BZVFNGCGTVZQQR-GHMZBOCLSA-N 1 1 281.316 -0.319 20 5 CBBDMO COCC[N@H+](C)CCN1C[C@@H](NCC[N+](=O)[O-])CC1=O ZINC001120603602 812998692 /nfs/dbraw/zinc/99/86/92/812998692.db2.gz QIWJYNZNJFVVIX-NSHDSACASA-N 1 1 288.348 -0.968 20 5 CBBDMO COCC[N@@H+](C)CCN1C[C@@H](NCC[N+](=O)[O-])CC1=O ZINC001120603602 812998696 /nfs/dbraw/zinc/99/86/96/812998696.db2.gz QIWJYNZNJFVVIX-NSHDSACASA-N 1 1 288.348 -0.968 20 5 CBBDMO COCC[NH+]1CCN(c2nnc(C[N+](=O)[O-])n2C)CC1 ZINC001121391586 813065358 /nfs/dbraw/zinc/06/53/58/813065358.db2.gz HTNNYSKCRKFULH-UHFFFAOYSA-N 1 1 284.320 -0.640 20 5 CBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1cn[nH]c1 ZINC001124067989 813400562 /nfs/dbraw/zinc/40/05/62/813400562.db2.gz STKUYCQYNSWFCE-UHFFFAOYSA-N 1 1 293.287 -0.429 20 5 CBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1ncc[nH]1 ZINC001126800655 813684740 /nfs/dbraw/zinc/68/47/40/813684740.db2.gz JRTUTIHTUKCSMK-UHFFFAOYSA-N 1 1 293.287 -0.429 20 5 CBBDMO CC(C)N(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126936979 813696643 /nfs/dbraw/zinc/69/66/43/813696643.db2.gz ZQHXCNWUXUVHLX-NXEZZACHSA-N 1 1 286.332 -0.776 20 5 CBBDMO CCn1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001126936988 813696656 /nfs/dbraw/zinc/69/66/56/813696656.db2.gz ZZCJDTCBJREWKE-GHMZBOCLSA-N 1 1 281.316 -0.226 20 5 CBBDMO Cc1ncc(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001126936229 813697317 /nfs/dbraw/zinc/69/73/17/813697317.db2.gz BWDYSWGTEVVWCJ-GHMZBOCLSA-N 1 1 279.300 -0.344 20 5 CBBDMO C[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC001147350952 814889779 /nfs/dbraw/zinc/88/97/79/814889779.db2.gz DQDCNLOLHVOGJJ-WPRPVWTQSA-N 1 1 296.331 -0.318 20 5 CBBDMO COc1cnc(NCCN2CC[NH2+]CC2=O)c([N+](=O)[O-])c1 ZINC001161019489 815697975 /nfs/dbraw/zinc/69/79/75/815697975.db2.gz PESITTUETKBEQE-UHFFFAOYSA-N 1 1 295.299 -0.158 20 5 CBBDMO COc1ncnc(NCCN2CC[NH2+]CC2=O)c1[N+](=O)[O-] ZINC001161020054 815698720 /nfs/dbraw/zinc/69/87/20/815698720.db2.gz WWYSFGZXHIFNPI-UHFFFAOYSA-N 1 1 296.287 -0.763 20 5 CBBDMO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC001162348201 815815177 /nfs/dbraw/zinc/81/51/77/815815177.db2.gz FXZBXUOQDQBJDV-VIFPVBQESA-N 1 1 297.315 -0.106 20 5 CBBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC001302343468 816754480 /nfs/dbraw/zinc/75/44/80/816754480.db2.gz MIMBPHMEWFKHPV-SNVBAGLBSA-N 1 1 297.315 -0.765 20 5 CBBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC001302343468 816754486 /nfs/dbraw/zinc/75/44/86/816754486.db2.gz MIMBPHMEWFKHPV-SNVBAGLBSA-N 1 1 297.315 -0.765 20 5 CBBDMO O=C(Cn1cnc([N+](=O)[O-])n1)NCCC[NH+]1CCOCC1 ZINC001317976220 817058349 /nfs/dbraw/zinc/05/83/49/817058349.db2.gz TYICBFSTFRZLQW-UHFFFAOYSA-N 1 1 298.303 -0.975 20 5 CBBDMO CC[N@H+]1CC[C@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC001318350558 817101676 /nfs/dbraw/zinc/10/16/76/817101676.db2.gz HDODYJPGRREFOZ-SECBINFHSA-N 1 1 282.304 -0.356 20 5 CBBDMO O=C(NC1(C[NH2+]CCO)CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001318633390 817128546 /nfs/dbraw/zinc/12/85/46/817128546.db2.gz VMNMEFUGJMYXMC-NXEZZACHSA-N 1 1 271.317 -0.338 20 5 CBBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC001320513247 817348036 /nfs/dbraw/zinc/34/80/36/817348036.db2.gz JLWWVOXVBXFBLV-SNVBAGLBSA-N 1 1 269.261 -0.886 20 5 CBBDMO C[N@@H+]1CC[C@@](O)(CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC001320513247 817348041 /nfs/dbraw/zinc/34/80/41/817348041.db2.gz JLWWVOXVBXFBLV-SNVBAGLBSA-N 1 1 269.261 -0.886 20 5 CBBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC001320513247 817348047 /nfs/dbraw/zinc/34/80/47/817348047.db2.gz JLWWVOXVBXFBLV-SNVBAGLBSA-N 1 1 269.261 -0.886 20 5 CBBDMO NC(=O)[C@H]1CN(c2nc(Cl)ncc2[N+](=O)[O-])CC[NH2+]1 ZINC001166724624 820026210 /nfs/dbraw/zinc/02/62/10/820026210.db2.gz VTQAVAYMNCTWRN-RXMQYKEDSA-N 1 1 286.679 -0.698 20 5 CBBDMO Cc1ncc(C[NH3+])c(=N)n1-c1cc([N+](=O)[O-])c(=O)n(C)c1 ZINC001167673644 820110441 /nfs/dbraw/zinc/11/04/41/820110441.db2.gz FDIQMJYTAZJSFW-UHFFFAOYSA-N 1 1 290.283 -0.274 20 5 CBBDMO COc1ncc([N+](=O)[O-])c(-n2cnc(C[NH3+])n2)n1 ZINC001168749862 820174872 /nfs/dbraw/zinc/17/48/72/820174872.db2.gz NNKAEIXYAUOQOW-UHFFFAOYSA-N 1 1 251.206 -0.567 20 5 CBBDMO NC(=O)c1ccnc(N[C@H](N)CCC[NH3+])c1[N+](=O)[O-] ZINC001170896519 820334047 /nfs/dbraw/zinc/33/40/47/820334047.db2.gz FTEYYVCILFMGMM-ZETCQYMHSA-N 1 1 268.277 -0.476 20 5 CBBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC([NH2+]C2COC2)C1 ZINC001179456904 820630040 /nfs/dbraw/zinc/63/00/40/820630040.db2.gz BBDPLNNSWHZNIT-UHFFFAOYSA-N 1 1 292.295 -0.010 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]CCO)CC1 ZINC001205230908 824376372 /nfs/dbraw/zinc/37/63/72/824376372.db2.gz YAEQPWMILMLRKH-GHMZBOCLSA-N 1 1 271.317 -0.528 20 5 CBBDMO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001261818837 826586745 /nfs/dbraw/zinc/58/67/45/826586745.db2.gz JDFYHPIHNGKGGK-BDAKNGLRSA-N 1 1 295.299 -0.401 20 5 CBBDMO COCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001264420002 826809765 /nfs/dbraw/zinc/80/97/65/826809765.db2.gz LQUMSUPAPSHEOR-GWOFURMSSA-N 1 1 271.317 -0.218 20 5 CBBDMO C[N@H+]1CCN(CCn2ccc([N+](=O)[O-])n2)[C@H](CO)C1 ZINC001333040293 887508194 /nfs/dbraw/zinc/50/81/94/887508194.db2.gz XCAHIHXAFXXVQH-JTQLQIEISA-N 1 1 269.305 -0.600 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N(CCO)CC[NH2+]C/C=C/Cl ZINC001326022074 884876091 /nfs/dbraw/zinc/87/60/91/884876091.db2.gz IUXGOCJRVDODLZ-UFLMBTITSA-N 1 1 291.735 -0.185 20 5 CBBDMO NC(=O)[C@H](CO)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001326232900 884949139 /nfs/dbraw/zinc/94/91/39/884949139.db2.gz SZESMWMSRUHFMT-UWVGGRQHSA-N 1 1 269.257 -0.936 20 5 CBBDMO NC(=O)[C@H](CO)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001326232901 884951450 /nfs/dbraw/zinc/95/14/50/884951450.db2.gz SZESMWMSRUHFMT-VHSXEESVSA-N 1 1 269.257 -0.936 20 5 CBBDMO CNC(=O)[C@H](CO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001326503826 885047665 /nfs/dbraw/zinc/04/76/65/885047665.db2.gz WDZAYSNVSMJLRD-WDEREUQCSA-N 1 1 283.284 -0.675 20 5 CBBDMO C[N@H+]1CCC[C@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001329595595 886138521 /nfs/dbraw/zinc/13/85/21/886138521.db2.gz HFEQSBWSYOANKC-JTQLQIEISA-N 1 1 294.311 -0.033 20 5 CBBDMO Cn1cc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c([N+](=O)[O-])n1 ZINC001330659365 886520838 /nfs/dbraw/zinc/52/08/38/886520838.db2.gz ZFAMSLUQHHYYRP-MYJAWHEDSA-N 1 1 252.274 -0.002 20 5 CBBDMO Cn1cc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c([N+](=O)[O-])n1 ZINC001330659365 886520853 /nfs/dbraw/zinc/52/08/53/886520853.db2.gz ZFAMSLUQHHYYRP-MYJAWHEDSA-N 1 1 252.274 -0.002 20 5 CBBDMO O=C1CC2(CCOCC2)[N@@H+](CC[N+](=O)[O-])CCN1 ZINC001336186381 888713665 /nfs/dbraw/zinc/71/36/65/888713665.db2.gz LMFHHCAAYVCIBT-UHFFFAOYSA-N 1 1 257.290 -0.366 20 5 CBBDMO NC(=O)C[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC001342950619 889848695 /nfs/dbraw/zinc/84/86/95/889848695.db2.gz HUMOCJYRKUUCJU-SECBINFHSA-N 1 1 267.289 -0.011 20 5 CBBDMO C[N@@H+](CCO)CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC001455778106 914408009 /nfs/dbraw/zinc/40/80/09/914408009.db2.gz BYOSXZBAUVUPNM-UHFFFAOYSA-N 1 1 257.246 -0.158 20 5 CBBDMO COC(=O)CC1([NH2+]CC[N+](=O)[O-])CCS(=O)(=O)CC1 ZINC001459988709 914755421 /nfs/dbraw/zinc/75/54/21/914755421.db2.gz JZFNHOIFNFLBPM-UHFFFAOYSA-N 1 1 294.329 -0.637 20 5 CBBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC001468955826 915356287 /nfs/dbraw/zinc/35/62/87/915356287.db2.gz PTEYPSJWJADSQX-SNVBAGLBSA-N 1 1 297.315 -0.684 20 5 CBBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC001468955826 915356305 /nfs/dbraw/zinc/35/63/05/915356305.db2.gz PTEYPSJWJADSQX-SNVBAGLBSA-N 1 1 297.315 -0.684 20 5 CBBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CC[N@@H+](C)CCO ZINC001470572180 915505792 /nfs/dbraw/zinc/50/57/92/915505792.db2.gz UIVGNXUBOYYGEQ-UHFFFAOYSA-N 1 1 299.331 -0.518 20 5 CBBDMO NC(=O)[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[NH2+]1 ZINC001472648967 915756320 /nfs/dbraw/zinc/75/63/20/915756320.db2.gz VWKXAAPXEIPURA-JTQLQIEISA-N 1 1 290.283 -0.265 20 5 CBBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1C[C@H](CO)[C@H](O)C1 ZINC001473538950 915832181 /nfs/dbraw/zinc/83/21/81/915832181.db2.gz ZVCKJVAZXZSONQ-MWLCHTKSSA-N 1 1 283.284 -0.959 20 5 CBBDMO Cn1cc(C[N@H+]2C[C@@H](CO)[C@H](CCO)C2)c([N+](=O)[O-])n1 ZINC001473894408 915880347 /nfs/dbraw/zinc/88/03/47/915880347.db2.gz XGDFYTVPEQTUAO-KOLCDFICSA-N 1 1 284.316 -0.249 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(O)(C[NH2+]CCF)CC1 ZINC001484953802 917971730 /nfs/dbraw/zinc/97/17/30/917971730.db2.gz ZQVKOGAAMNBFAD-NXEZZACHSA-N 1 1 289.307 -0.436 20 5 CBBDMO CC(C)NC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001497584128 920343815 /nfs/dbraw/zinc/34/38/15/920343815.db2.gz OKROWMSVGDPSQN-ANDSXOESSA-N 1 1 298.343 -0.562 20 5 CBBDMO C[N@H+]1CC[C@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001538351255 923243799 /nfs/dbraw/zinc/24/37/99/923243799.db2.gz FUMOPIAXHXXKHM-ZETCQYMHSA-N 1 1 254.250 -0.993 20 5 CBBDMO C[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC001544139077 923301320 /nfs/dbraw/zinc/30/13/20/923301320.db2.gz JHNYCYIFKPTNEV-WPRPVWTQSA-N 1 1 296.331 -0.318 20 5 CBBDMO CC[N@@H+](C[C@@H](C)O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352233367 219376844 /nfs/dbraw/zinc/37/68/44/219376844.db2.gz YDVRWVYYOVPLSP-KOLCDFICSA-N 1 1 272.305 -0.145 20 5 CBBDMO NC(=O)[C@H]1CN(c2ncccc2[N+](=O)[O-])CC[NH2+]1 ZINC000011174023 351329723 /nfs/dbraw/zinc/32/97/23/351329723.db2.gz CPFKWUMDYMOUAS-SSDOTTSWSA-N 1 1 251.246 -0.747 20 5 CBBDMO O=C([C@H]1CC1[N+](=O)[O-])N1CC[NH+](C2CCOCC2)CC1 ZINC000081035495 351702718 /nfs/dbraw/zinc/70/27/18/351702718.db2.gz UDBMVQSVNDNUIZ-RYUDHWBXSA-N 1 1 283.328 -0.025 20 5 CBBDMO NC(=O)[C@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075618500 351668724 /nfs/dbraw/zinc/66/87/24/351668724.db2.gz JOPJPZIPFSHDCK-NXEZZACHSA-N 1 1 283.288 -0.898 20 5 CBBDMO CNC(=O)[C@H](C)C[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000081580083 351708778 /nfs/dbraw/zinc/70/87/78/351708778.db2.gz QQBJQCRHYZULCL-KOLCDFICSA-N 1 1 299.331 -0.534 20 5 CBBDMO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC[NH2+]1 ZINC000095069544 351767573 /nfs/dbraw/zinc/76/75/73/351767573.db2.gz LTFDTDLFXWWYAD-QMMMGPOBSA-N 1 1 286.313 -0.028 20 5 CBBDMO CN1CCO[C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000120926042 351844067 /nfs/dbraw/zinc/84/40/67/351844067.db2.gz HOZBFMHIENUTSA-NWDGAFQWSA-N 1 1 281.316 -0.194 20 5 CBBDMO CN1CCO[C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000120926042 351844071 /nfs/dbraw/zinc/84/40/71/351844071.db2.gz HOZBFMHIENUTSA-NWDGAFQWSA-N 1 1 281.316 -0.194 20 5 CBBDMO CN1CCO[C@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000120925855 351844720 /nfs/dbraw/zinc/84/47/20/351844720.db2.gz HOZBFMHIENUTSA-RYUDHWBXSA-N 1 1 281.316 -0.194 20 5 CBBDMO CN1CCO[C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000120925855 351844721 /nfs/dbraw/zinc/84/47/21/351844721.db2.gz HOZBFMHIENUTSA-RYUDHWBXSA-N 1 1 281.316 -0.194 20 5 CBBDMO NC(=O)[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176231477 352063700 /nfs/dbraw/zinc/06/37/00/352063700.db2.gz BQYFXURMNYJGAA-MRVPVSSYSA-N 1 1 253.262 -0.259 20 5 CBBDMO NC(=O)[C@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176231477 352063701 /nfs/dbraw/zinc/06/37/01/352063701.db2.gz BQYFXURMNYJGAA-MRVPVSSYSA-N 1 1 253.262 -0.259 20 5 CBBDMO C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1CCO ZINC000188785467 352159580 /nfs/dbraw/zinc/15/95/80/352159580.db2.gz SQJXXIHOJLTDMY-SNVBAGLBSA-N 1 1 297.315 -0.684 20 5 CBBDMO C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1CCO ZINC000188785467 352159582 /nfs/dbraw/zinc/15/95/82/352159582.db2.gz SQJXXIHOJLTDMY-SNVBAGLBSA-N 1 1 297.315 -0.684 20 5 CBBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@H](O)C[C@H]2CO)n1 ZINC000248392960 352351736 /nfs/dbraw/zinc/35/17/36/352351736.db2.gz LJWMXKDUIBZBJP-DTWKUNHWSA-N 1 1 256.262 -0.781 20 5 CBBDMO NC(=O)c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC000245712185 352323439 /nfs/dbraw/zinc/32/34/39/352323439.db2.gz PGCQDIKYMJFMTI-WDEREUQCSA-N 1 1 295.295 -0.379 20 5 CBBDMO NC(=O)c1ccc(C[N@H+]2C[C@H](O)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC000245712185 352323442 /nfs/dbraw/zinc/32/34/42/352323442.db2.gz PGCQDIKYMJFMTI-WDEREUQCSA-N 1 1 295.295 -0.379 20 5 CBBDMO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000246650035 352336297 /nfs/dbraw/zinc/33/62/97/352336297.db2.gz DBILEVYEHUGMJI-MWLCHTKSSA-N 1 1 270.289 -0.127 20 5 CBBDMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000246650035 352336299 /nfs/dbraw/zinc/33/62/99/352336299.db2.gz DBILEVYEHUGMJI-MWLCHTKSSA-N 1 1 270.289 -0.127 20 5 CBBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1CO ZINC000248910814 352357287 /nfs/dbraw/zinc/35/72/87/352357287.db2.gz IXPSBSOCJWHIOH-YUSALJHKSA-N 1 1 284.316 -0.145 20 5 CBBDMO C[C@@H](O)C[NH+]1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000275849464 352558172 /nfs/dbraw/zinc/55/81/72/352558172.db2.gz RNITXKMHOJAEBJ-SECBINFHSA-N 1 1 267.289 -0.112 20 5 CBBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[C@H]1O ZINC000286580534 352646981 /nfs/dbraw/zinc/64/69/81/352646981.db2.gz QEMYBLCNIUGYTB-IJLUTSLNSA-N 1 1 284.316 -0.003 20 5 CBBDMO C[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000299638487 352727194 /nfs/dbraw/zinc/72/71/94/352727194.db2.gz PORPISRRUKGEKZ-SNVBAGLBSA-N 1 1 294.311 -0.033 20 5 CBBDMO O=[N+]([O-])c1cnc2ccc(N3CC[NH+](CCO)CC3)nn21 ZINC000301848565 352737753 /nfs/dbraw/zinc/73/77/53/352737753.db2.gz VMTCARGHLCXSII-UHFFFAOYSA-N 1 1 292.299 -0.248 20 5 CBBDMO CC[N@H+]1CCC[C@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000330574785 352850942 /nfs/dbraw/zinc/85/09/42/352850942.db2.gz LJDXSNVRDKOXAP-VIFPVBQESA-N 1 1 282.304 -0.213 20 5 CBBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000330574784 352851214 /nfs/dbraw/zinc/85/12/14/352851214.db2.gz LJDXSNVRDKOXAP-SECBINFHSA-N 1 1 282.304 -0.213 20 5 CBBDMO NC(=O)N[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000330517128 352837702 /nfs/dbraw/zinc/83/77/02/352837702.db2.gz IWJXTHBJGIPYGO-QMMMGPOBSA-N 1 1 268.277 -0.052 20 5 CBBDMO C[C@@H]1C[N@@H+](C)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331256445 352897586 /nfs/dbraw/zinc/89/75/86/352897586.db2.gz WKMZPVSXSYSIOG-PWSUYJOCSA-N 1 1 283.332 -0.212 20 5 CBBDMO C[C@@H]1CN(C)CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331256445 352897588 /nfs/dbraw/zinc/89/75/88/352897588.db2.gz WKMZPVSXSYSIOG-PWSUYJOCSA-N 1 1 283.332 -0.212 20 5 CBBDMO C[C@@H]1CN(C)CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331256445 352897590 /nfs/dbraw/zinc/89/75/90/352897590.db2.gz WKMZPVSXSYSIOG-PWSUYJOCSA-N 1 1 283.332 -0.212 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@](F)(CO)C2)c1 ZINC000338597872 353108012 /nfs/dbraw/zinc/10/80/12/353108012.db2.gz YLCSMJFNSZZEPI-QWRGUYRKSA-N 1 1 288.279 -0.442 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@](F)(CO)C2)c1 ZINC000338597872 353108015 /nfs/dbraw/zinc/10/80/15/353108015.db2.gz YLCSMJFNSZZEPI-QWRGUYRKSA-N 1 1 288.279 -0.442 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@](F)(CO)C2)c1 ZINC000338597871 353108221 /nfs/dbraw/zinc/10/82/21/353108221.db2.gz YLCSMJFNSZZEPI-MNOVXSKESA-N 1 1 288.279 -0.442 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@](F)(CO)C2)c1 ZINC000338597871 353108222 /nfs/dbraw/zinc/10/82/22/353108222.db2.gz YLCSMJFNSZZEPI-MNOVXSKESA-N 1 1 288.279 -0.442 20 5 CBBDMO C[NH+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])c2)CC1 ZINC000340665668 353181987 /nfs/dbraw/zinc/18/19/87/353181987.db2.gz QGUIUNQWIAYNJP-UHFFFAOYSA-N 1 1 253.262 -0.435 20 5 CBBDMO COCC[N@H+]1CC[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000340948707 353193938 /nfs/dbraw/zinc/19/39/38/353193938.db2.gz GCEFGOSXDSRQLB-SECBINFHSA-N 1 1 298.303 -0.977 20 5 CBBDMO C[C@H]1[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CCC[N@H+]1C ZINC000343565593 353279102 /nfs/dbraw/zinc/27/91/02/353279102.db2.gz RUSZWJHHLGXTAD-DTWKUNHWSA-N 1 1 282.304 -0.215 20 5 CBBDMO CC[N@@H+]1CCO[C@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000157005365 188292844 /nfs/dbraw/zinc/29/28/44/188292844.db2.gz GDDONIHIAQETBF-NSHDSACASA-N 1 1 297.315 -0.372 20 5 CBBDMO CC[N@H+]1CCO[C@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000157005365 188292845 /nfs/dbraw/zinc/29/28/45/188292845.db2.gz GDDONIHIAQETBF-NSHDSACASA-N 1 1 297.315 -0.372 20 5 CBBDMO COCC[N@@H+](C)CCNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000345426664 353329946 /nfs/dbraw/zinc/32/99/46/353329946.db2.gz KVUMURIQOUXDGG-UHFFFAOYSA-N 1 1 285.304 -0.364 20 5 CBBDMO C[NH+](C)CCOCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000345947566 353356525 /nfs/dbraw/zinc/35/65/25/353356525.db2.gz DFPQXCGMZAUAJG-UHFFFAOYSA-N 1 1 271.277 -0.374 20 5 CBBDMO CC[N@@H+](C)CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000354017927 353539117 /nfs/dbraw/zinc/53/91/17/353539117.db2.gz CTSRXIOFTDNCJL-UHFFFAOYSA-N 1 1 282.300 -0.176 20 5 CBBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000358058898 353623639 /nfs/dbraw/zinc/62/36/39/353623639.db2.gz RKVYVEZAYLSMKO-LLVKDONJSA-N 1 1 268.273 -0.281 20 5 CBBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000358427195 353643547 /nfs/dbraw/zinc/64/35/47/353643547.db2.gz VJFFTIBGWHCPTQ-GFCCVEGCSA-N 1 1 296.283 -0.508 20 5 CBBDMO Cc1[nH]nc(C(=O)N2CCO[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000358510774 353649061 /nfs/dbraw/zinc/64/90/61/353649061.db2.gz MENRVFNOKLZRSM-ZETCQYMHSA-N 1 1 269.261 -0.574 20 5 CBBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH2+][C@@H](C(N)=O)C2)n1 ZINC000359108844 353652486 /nfs/dbraw/zinc/65/24/86/353652486.db2.gz MWMKHHHUJYHLOX-SECBINFHSA-N 1 1 279.300 -0.130 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000376122131 353771935 /nfs/dbraw/zinc/77/19/35/353771935.db2.gz FHLQFYDFCPKAMS-AXFHLTTASA-N 1 1 268.317 -0.842 20 5 CBBDMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000408152496 353859524 /nfs/dbraw/zinc/85/95/24/353859524.db2.gz AUQNKKYGDPQHIY-UWVGGRQHSA-N 1 1 294.315 -0.119 20 5 CBBDMO Cn1cnc([N+](=O)[O-])c1N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000408223121 353875227 /nfs/dbraw/zinc/87/52/27/353875227.db2.gz CWYWLBOHHKKXLM-DTWKUNHWSA-N 1 1 267.289 -0.153 20 5 CBBDMO NC(=O)NC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488779421 354426537 /nfs/dbraw/zinc/42/65/37/354426537.db2.gz FXMTWYKQEQUMOO-UHFFFAOYSA-N 1 1 296.287 -0.377 20 5 CBBDMO C[C@@H]1[C@H](CO)CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000488810945 354427911 /nfs/dbraw/zinc/42/79/11/354427911.db2.gz WUCCSYUSPSLFCE-JFGNBEQYSA-N 1 1 284.316 -0.145 20 5 CBBDMO C[C@]1(CO)CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000546103498 354651285 /nfs/dbraw/zinc/65/12/85/354651285.db2.gz CQLVOSLTFGABDJ-NWDGAFQWSA-N 1 1 284.316 -0.001 20 5 CBBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000590444952 355080846 /nfs/dbraw/zinc/08/08/46/355080846.db2.gz OJFQGWXGKHSYFP-UWVGGRQHSA-N 1 1 279.300 -0.046 20 5 CBBDMO CC(C)(CO)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000586801884 355053512 /nfs/dbraw/zinc/05/35/12/355053512.db2.gz AVFYIHOGPOGGQK-UHFFFAOYSA-N 1 1 297.315 -0.153 20 5 CBBDMO Cc1[nH]nc(C(=O)N2CCN(C)C[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC000592309014 355147225 /nfs/dbraw/zinc/14/72/25/355147225.db2.gz NBZCPEFHMQMWPC-QMMMGPOBSA-N 1 1 282.304 -0.659 20 5 CBBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)n1 ZINC000593097710 355193888 /nfs/dbraw/zinc/19/38/88/355193888.db2.gz PZDKZXXDRBEYCX-ZMFHDSSTSA-N 1 1 270.314 -0.004 20 5 CBBDMO O=[N+]([O-])c1ccn(CC[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)n1 ZINC000593097710 355193890 /nfs/dbraw/zinc/19/38/90/355193890.db2.gz PZDKZXXDRBEYCX-ZMFHDSSTSA-N 1 1 270.314 -0.004 20 5 CBBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593855989 355222897 /nfs/dbraw/zinc/22/28/97/355222897.db2.gz SSGZOJQJTNYRMD-LLVKDONJSA-N 1 1 295.299 -0.931 20 5 CBBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593855989 355222903 /nfs/dbraw/zinc/22/29/03/355222903.db2.gz SSGZOJQJTNYRMD-LLVKDONJSA-N 1 1 295.299 -0.931 20 5 CBBDMO C[NH+](C)C1CN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594772783 355261193 /nfs/dbraw/zinc/26/11/93/355261193.db2.gz MJKHHUAOPISDJP-UHFFFAOYSA-N 1 1 286.313 -0.076 20 5 CBBDMO Nc1ccc(N2CC([N@H+]3CC[C@@H](O)C3)C2)nc1[N+](=O)[O-] ZINC000596296690 355353305 /nfs/dbraw/zinc/35/33/05/355353305.db2.gz YREQIWXLYUZHLQ-SECBINFHSA-N 1 1 279.300 -0.173 20 5 CBBDMO C[C@@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000599098196 355463769 /nfs/dbraw/zinc/46/37/69/355463769.db2.gz QPQGMNFXXDKYGK-SSDOTTSWSA-N 1 1 289.317 -0.689 20 5 CBBDMO C[C@H](CC[NH3+])NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599105391 355464421 /nfs/dbraw/zinc/46/44/21/355464421.db2.gz ZLATYAOYZDODSU-ZCFIWIBFSA-N 1 1 277.306 -0.656 20 5 CBBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000600699055 355561449 /nfs/dbraw/zinc/56/14/49/355561449.db2.gz IAALENBUQMWFGC-JTQLQIEISA-N 1 1 282.300 -0.270 20 5 CBBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)Nc1ccncc1[N+](=O)[O-] ZINC000599767358 355514290 /nfs/dbraw/zinc/51/42/90/355514290.db2.gz WPIDQFXWWYPBGF-VIFPVBQESA-N 1 1 295.299 -0.400 20 5 CBBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000600809061 355566669 /nfs/dbraw/zinc/56/66/69/355566669.db2.gz RFGRBSQGWFZEQY-JTQLQIEISA-N 1 1 297.315 -0.717 20 5 CBBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCNC(=O)CC1 ZINC000602772693 355671222 /nfs/dbraw/zinc/67/12/22/355671222.db2.gz NJRZQUAMWQKRQU-UHFFFAOYSA-N 1 1 267.289 -0.078 20 5 CBBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCNC(=O)CC1 ZINC000602772693 355671224 /nfs/dbraw/zinc/67/12/24/355671224.db2.gz NJRZQUAMWQKRQU-UHFFFAOYSA-N 1 1 267.289 -0.078 20 5 CBBDMO C[C@@H]1C[N@@H+](CCO)CCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602836477 355674345 /nfs/dbraw/zinc/67/43/45/355674345.db2.gz FNYYOBGENQHBFX-SNVBAGLBSA-N 1 1 283.332 -0.173 20 5 CBBDMO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602866116 355677318 /nfs/dbraw/zinc/67/73/18/355677318.db2.gz NAMMIXVIMCQYLM-NXEZZACHSA-N 1 1 270.289 -0.090 20 5 CBBDMO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602866116 355677320 /nfs/dbraw/zinc/67/73/20/355677320.db2.gz NAMMIXVIMCQYLM-NXEZZACHSA-N 1 1 270.289 -0.090 20 5 CBBDMO CC1(C)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000614895207 355997068 /nfs/dbraw/zinc/99/70/68/355997068.db2.gz QGOSJZMMZIVERI-UHFFFAOYSA-N 1 1 297.315 -0.153 20 5 CBBDMO CC1(C)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000614895207 355997072 /nfs/dbraw/zinc/99/70/72/355997072.db2.gz QGOSJZMMZIVERI-UHFFFAOYSA-N 1 1 297.315 -0.153 20 5 CBBDMO CC[NH+]1CCN(C(=O)CNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000273591664 192220119 /nfs/dbraw/zinc/22/01/19/192220119.db2.gz HIWCQOYQMFILGA-UHFFFAOYSA-N 1 1 294.315 -0.039 20 5 CBBDMO NC(=O)[C@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000265499223 283356032 /nfs/dbraw/zinc/35/60/32/283356032.db2.gz HUDUVNDXAFDERS-MRVPVSSYSA-N 1 1 285.691 -0.093 20 5 CBBDMO CNC(=O)N[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000342354977 216322846 /nfs/dbraw/zinc/32/28/46/216322846.db2.gz NTUMPANOTADAQS-SECBINFHSA-N 1 1 282.304 -0.205 20 5 CBBDMO CC[N@@H+](CCO)CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000183933383 189371962 /nfs/dbraw/zinc/37/19/62/189371962.db2.gz FCNQBMUQQNTVRW-UHFFFAOYSA-N 1 1 299.331 -0.388 20 5 CBBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H](C)C1 ZINC000330601654 203025092 /nfs/dbraw/zinc/02/50/92/203025092.db2.gz IMDLMORWBXKAMG-IUCAKERBSA-N 1 1 297.315 -0.155 20 5 CBBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H](C)C1 ZINC000330601654 203025094 /nfs/dbraw/zinc/02/50/94/203025094.db2.gz IMDLMORWBXKAMG-IUCAKERBSA-N 1 1 297.315 -0.155 20 5 CBBDMO C[N@H+]1CC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000330668792 203096751 /nfs/dbraw/zinc/09/67/51/203096751.db2.gz CNHFGRZQLMWKEA-JTQLQIEISA-N 1 1 294.311 -0.176 20 5 CBBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330689812 203121264 /nfs/dbraw/zinc/12/12/64/203121264.db2.gz FHIOJCJFQVOWJK-JTQLQIEISA-N 1 1 281.316 -0.102 20 5 CBBDMO C[N@H+]1CC[C@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000330708097 203139303 /nfs/dbraw/zinc/13/93/03/203139303.db2.gz MYIXBKOXUJHKAH-SECBINFHSA-N 1 1 267.289 -0.141 20 5 CBBDMO NC(=O)[C@@]1(O)CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000276461725 193341207 /nfs/dbraw/zinc/34/12/07/193341207.db2.gz OUVHCLJLSPGYSH-CYBMUJFWSA-N 1 1 295.295 -0.104 20 5 CBBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000276589093 193392338 /nfs/dbraw/zinc/39/23/38/193392338.db2.gz KGUNEVQMAZJSPD-DTWKUNHWSA-N 1 1 297.315 -0.155 20 5 CBBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000276589093 193392340 /nfs/dbraw/zinc/39/23/40/193392340.db2.gz KGUNEVQMAZJSPD-DTWKUNHWSA-N 1 1 297.315 -0.155 20 5 CBBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285817228 372944300 /nfs/dbraw/zinc/94/43/00/372944300.db2.gz GPWVMDZOBSJADD-QMMMGPOBSA-N 1 1 282.304 -0.707 20 5 CBBDMO C[C@@]1(C(N)=O)CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000361558175 373309005 /nfs/dbraw/zinc/30/90/05/373309005.db2.gz VAXNRHASEZXPSG-ZYHUDNBSSA-N 1 1 297.315 -0.651 20 5 CBBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1[nH]ncc1[N+](=O)[O-] ZINC000362397044 373402609 /nfs/dbraw/zinc/40/26/09/373402609.db2.gz QMNPXVZYWKVKIO-DTWKUNHWSA-N 1 1 295.299 -0.089 20 5 CBBDMO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1n[nH]cc1[N+](=O)[O-] ZINC000362397044 373402613 /nfs/dbraw/zinc/40/26/13/373402613.db2.gz QMNPXVZYWKVKIO-DTWKUNHWSA-N 1 1 295.299 -0.089 20 5 CBBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1n[nH]cc1[N+](=O)[O-] ZINC000362397044 373402617 /nfs/dbraw/zinc/40/26/17/373402617.db2.gz QMNPXVZYWKVKIO-DTWKUNHWSA-N 1 1 295.299 -0.089 20 5 CBBDMO COCC[N@@H+](C)CCNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000263767630 190078248 /nfs/dbraw/zinc/07/82/48/190078248.db2.gz MKGJCBFMBSSSPY-UHFFFAOYSA-N 1 1 285.304 -0.066 20 5 CBBDMO COCC[N@H+]1CC[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000264558005 190118155 /nfs/dbraw/zinc/11/81/55/190118155.db2.gz QEXMIKQXHSRSIR-JTQLQIEISA-N 1 1 297.315 -0.372 20 5 CBBDMO O=[N+]([O-])c1cnn(CC[N@H+]2[C@@H](CO)CC[C@H]2CO)c1 ZINC000347325958 218191543 /nfs/dbraw/zinc/19/15/43/218191543.db2.gz ZWUBESRXISWXRO-AOOOYVTPSA-N 1 1 270.289 -0.391 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](CCO)C2CC2)c1 ZINC000266543055 190265206 /nfs/dbraw/zinc/26/52/06/190265206.db2.gz QWHIJIVGYOCZKV-NSHDSACASA-N 1 1 270.289 -0.391 20 5 CBBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000347653840 218308332 /nfs/dbraw/zinc/30/83/32/218308332.db2.gz LSLZNPWBOVQSPI-DTORHVGOSA-N 1 1 279.300 -0.038 20 5 CBBDMO CNC(=O)CC[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173636137 207409335 /nfs/dbraw/zinc/40/93/35/207409335.db2.gz QSHTUNCFQMOPQU-SNVBAGLBSA-N 1 1 285.304 -0.780 20 5 CBBDMO NC(=O)[C@@H]1CN(c2ncc([N+](=O)[O-])s2)CC[NH2+]1 ZINC000443441632 208388993 /nfs/dbraw/zinc/38/89/93/208388993.db2.gz XENWEXVEURZBRG-YFKPBYRVSA-N 1 1 257.275 -0.685 20 5 CBBDMO COC(=O)C1(O)CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000354841059 533258194 /nfs/dbraw/zinc/25/81/94/533258194.db2.gz UPJYFDRJVQURLK-UHFFFAOYSA-N 1 1 298.299 -0.209 20 5 CBBDMO C[C@@H](O)C[NH+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000275868793 135114533 /nfs/dbraw/zinc/11/45/33/135114533.db2.gz VFXYJINGBLKIFJ-MRVPVSSYSA-N 1 1 282.304 -0.530 20 5 CBBDMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285390743 196269569 /nfs/dbraw/zinc/26/95/69/196269569.db2.gz NXUDOUTVTSRIBF-SECBINFHSA-N 1 1 297.315 -0.153 20 5 CBBDMO CN1CC[NH+](CCCNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000354515275 419850695 /nfs/dbraw/zinc/85/06/95/419850695.db2.gz XSDJHPLUFQCLHH-UHFFFAOYSA-N 1 1 280.332 0.434 20 5 CBBDMO O=C(NC[C@@H]1CN(C2CC2)CCO1)[C@@H]1CC1[N+](=O)[O-] ZINC000364540749 420041811 /nfs/dbraw/zinc/04/18/11/420041811.db2.gz DDYWNYUFUSAWDY-GMTAPVOTSA-N 1 1 269.301 -0.369 20 5 CBBDMO O=C1NC[C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CC[C@@H]12 ZINC000368232767 420127652 /nfs/dbraw/zinc/12/76/52/420127652.db2.gz SYZIAYHVIBYADT-MWLCHTKSSA-N 1 1 279.300 -0.141 20 5 CBBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCC1 ZINC000356733842 230238167 /nfs/dbraw/zinc/23/81/67/230238167.db2.gz ULDUUYPPAUYWGL-UHFFFAOYSA-N 1 1 253.262 -0.236 20 5 CBBDMO O=[N+]([O-])c1cnc(NCC[N@@H+]2CC[C@H](O)C2)nc1 ZINC000599199652 420491868 /nfs/dbraw/zinc/49/18/68/420491868.db2.gz OLQCTVFZPCFVIR-VIFPVBQESA-N 1 1 253.262 -0.137 20 5 CBBDMO O=C(NCC[N@@H+]1CCCOCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000559032465 327138432 /nfs/dbraw/zinc/13/84/32/327138432.db2.gz MWHCOACTIOGWMG-UHFFFAOYSA-N 1 1 283.288 -0.230 20 5 CBBDMO O=C(NCC[N@H+]1CCCOCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000559032465 327138434 /nfs/dbraw/zinc/13/84/34/327138434.db2.gz MWHCOACTIOGWMG-UHFFFAOYSA-N 1 1 283.288 -0.230 20 5 CBBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)Cn1nnnc1C[NH3+] ZINC000568747023 334838779 /nfs/dbraw/zinc/83/87/79/334838779.db2.gz ZZTWOPLCAKQLKG-UHFFFAOYSA-N 1 1 291.271 -0.013 20 5 CBBDMO Nc1nc(N2CC[NH+](CCCCO)CC2)ncc1[N+](=O)[O-] ZINC000741748968 582270756 /nfs/dbraw/zinc/27/07/56/582270756.db2.gz LIKZFTPEBVXSGH-UHFFFAOYSA-N 1 1 296.331 -0.139 20 5 CBBDMO C[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000743272047 582276306 /nfs/dbraw/zinc/27/63/06/582276306.db2.gz MANSSKMJJGVFOF-CMPLNLGQSA-N 1 1 283.332 -0.212 20 5 CBBDMO C[C@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000743272047 582276307 /nfs/dbraw/zinc/27/63/07/582276307.db2.gz MANSSKMJJGVFOF-CMPLNLGQSA-N 1 1 283.332 -0.212 20 5 CBBDMO C[C@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000743272047 582276308 /nfs/dbraw/zinc/27/63/08/582276308.db2.gz MANSSKMJJGVFOF-CMPLNLGQSA-N 1 1 283.332 -0.212 20 5 CBBDMO C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000743272077 582276363 /nfs/dbraw/zinc/27/63/63/582276363.db2.gz MANSSKMJJGVFOF-ZYHUDNBSSA-N 1 1 283.332 -0.212 20 5 CBBDMO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000743272077 582276364 /nfs/dbraw/zinc/27/63/64/582276364.db2.gz MANSSKMJJGVFOF-ZYHUDNBSSA-N 1 1 283.332 -0.212 20 5 CBBDMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000743272077 582276365 /nfs/dbraw/zinc/27/63/65/582276365.db2.gz MANSSKMJJGVFOF-ZYHUDNBSSA-N 1 1 283.332 -0.212 20 5 CBBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000762715346 582317998 /nfs/dbraw/zinc/31/79/98/582317998.db2.gz BGOUPAFWIOOIOZ-ZDUSSCGKSA-N 1 1 294.311 -0.027 20 5 CBBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cnc([N+](=O)[O-])n3)C[C@@H]2C1 ZINC000793933816 582399915 /nfs/dbraw/zinc/39/99/15/582399915.db2.gz VNGOIGOOSOOLTF-ZJUUUORDSA-N 1 1 294.315 -0.404 20 5 CBBDMO NC(=O)[C@]1(O)CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000794569944 582406017 /nfs/dbraw/zinc/40/60/17/582406017.db2.gz ZDNDDZMSWTZWSK-AAEUAGOBSA-N 1 1 295.295 -0.450 20 5 CBBDMO NC(=O)[C@]1(O)CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000794569947 582406043 /nfs/dbraw/zinc/40/60/43/582406043.db2.gz ZDNDDZMSWTZWSK-YPMHNXCESA-N 1 1 295.295 -0.450 20 5 CBBDMO O=C(N[C@@H]1CCC[N@H+](CCCO)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839781345 583159909 /nfs/dbraw/zinc/15/99/09/583159909.db2.gz MYJFJLGAZUVRCW-GMTAPVOTSA-N 1 1 271.317 -0.385 20 5 CBBDMO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839781345 583159911 /nfs/dbraw/zinc/15/99/11/583159911.db2.gz MYJFJLGAZUVRCW-GMTAPVOTSA-N 1 1 271.317 -0.385 20 5 CBBDMO O=C(N[C@@H]1CCC[N@H+](CCCO)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839781345 583159914 /nfs/dbraw/zinc/15/99/14/583159914.db2.gz MYJFJLGAZUVRCW-GMTAPVOTSA-N 1 1 271.317 -0.385 20 5 CBBDMO C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CCO2 ZINC000844093230 583250679 /nfs/dbraw/zinc/25/06/79/583250679.db2.gz BDWFFNFMYLNZBB-GHMZBOCLSA-N 1 1 283.328 -0.025 20 5 CBBDMO NC(=O)[C@@]1([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000847052786 583397329 /nfs/dbraw/zinc/39/73/29/583397329.db2.gz GHNBIEDINLSPDI-DGCLKSJQSA-N 1 1 295.295 -0.138 20 5 CBBDMO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000848024187 583421544 /nfs/dbraw/zinc/42/15/44/583421544.db2.gz FPPDWCADDMNWCQ-GMTAPVOTSA-N 1 1 273.333 -0.139 20 5 CBBDMO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000855697716 583647863 /nfs/dbraw/zinc/64/78/63/583647863.db2.gz WQEYTSQDQBDIGX-NXEZZACHSA-N 1 1 286.332 -0.870 20 5 CBBDMO O=C1OC[C@H]2C[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]12 ZINC000860159340 583739606 /nfs/dbraw/zinc/73/96/06/583739606.db2.gz DVCNJXCNFWGRHL-FBIMIBRVSA-N 1 1 296.283 -0.743 20 5 CBBDMO C[N@H+](Cn1cc([N+](=O)[O-])cn1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863322771 583838020 /nfs/dbraw/zinc/83/80/20/583838020.db2.gz OQWIIUYTZXTOMZ-OCAPTIKFSA-N 1 1 253.262 -0.056 20 5 CBBDMO C[N@@H+](Cn1cc([N+](=O)[O-])cn1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863322771 583838022 /nfs/dbraw/zinc/83/80/22/583838022.db2.gz OQWIIUYTZXTOMZ-OCAPTIKFSA-N 1 1 253.262 -0.056 20 5 CBBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000874846354 584093066 /nfs/dbraw/zinc/09/30/66/584093066.db2.gz YCOXGBXFKMCFSV-UWVGGRQHSA-N 1 1 294.315 -0.119 20 5 CBBDMO NC(=O)C[NH+]1CCC(Nc2ncc([N+](=O)[O-])cn2)CC1 ZINC000040454784 656005600 /nfs/dbraw/zinc/00/56/00/656005600.db2.gz UVADOOYIXCZYRE-UHFFFAOYSA-N 1 1 280.288 -0.254 20 5 CBBDMO Cn1ccc(N2CCC[C@H]([NH2+]CC[N+](=O)[O-])C2=O)n1 ZINC000905135680 656340714 /nfs/dbraw/zinc/34/07/14/656340714.db2.gz JGEOKDUHFOVVPZ-VIFPVBQESA-N 1 1 267.289 -0.218 20 5 CBBDMO O=[N+]([O-])c1ncccc1CN1CCNCC[NH2+]CC1 ZINC000923460476 658292321 /nfs/dbraw/zinc/29/23/21/658292321.db2.gz OXRHPPJRTHQEJW-UHFFFAOYSA-N 1 1 265.317 -0.015 20 5 CBBDMO C[NH+](C)CCNC(=O)C1CCN(CC[N+](=O)[O-])CC1 ZINC000929952987 659187208 /nfs/dbraw/zinc/18/72/08/659187208.db2.gz KVFSHRDQKXLFQS-UHFFFAOYSA-N 1 1 272.349 -0.347 20 5 CBBDMO O=C(NC1CC[NH+](CC[N+](=O)[O-])CC1)N1CCOCC1 ZINC000930759325 659338316 /nfs/dbraw/zinc/33/83/16/659338316.db2.gz OBOXENJWHCMZPD-UHFFFAOYSA-N 1 1 286.332 -0.231 20 5 CBBDMO COc1nc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164667109 719369116 /nfs/dbraw/zinc/36/91/16/719369116.db2.gz IBYMRGQTPSWDLP-UWVGGRQHSA-N 1 1 295.299 -0.087 20 5 CBBDMO Cn1cnc([N+](=O)[O-])c1N1CC[N@H+](C)[C@@H](CO)C1 ZINC000687590678 790652434 /nfs/dbraw/zinc/65/24/34/790652434.db2.gz FUWORPMKSJHSCZ-MRVPVSSYSA-N 1 1 255.278 -0.559 20 5 CBBDMO Cn1cnc([N+](=O)[O-])c1N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000687590678 790652436 /nfs/dbraw/zinc/65/24/36/790652436.db2.gz FUWORPMKSJHSCZ-MRVPVSSYSA-N 1 1 255.278 -0.559 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(C1)CC[NH+](CCO)CC2 ZINC001040699782 801325447 /nfs/dbraw/zinc/32/54/47/801325447.db2.gz FWHRAJVBAUTXSM-VXGBXAGGSA-N 1 1 297.355 -0.042 20 5 CBBDMO COCCO[C@H]1C[C@@H](CO)C[N@H+](CC[N+](=O)[O-])C1 ZINC001119855042 812897225 /nfs/dbraw/zinc/89/72/25/812897225.db2.gz LYELNJURTPXHHN-MNOVXSKESA-N 1 1 262.306 -0.391 20 5 CBBDMO COCCO[C@H]1C[C@@H](CO)C[N@@H+](CC[N+](=O)[O-])C1 ZINC001119855042 812897234 /nfs/dbraw/zinc/89/72/34/812897234.db2.gz LYELNJURTPXHHN-MNOVXSKESA-N 1 1 262.306 -0.391 20 5 CBBDMO CN(CCC[NH2+]Cc1nncn1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001322505668 803904310 /nfs/dbraw/zinc/90/43/10/803904310.db2.gz OZMHUFUWERRIRR-NXEZZACHSA-N 1 1 296.331 -0.582 20 5 CBBDMO C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C1=CC[N@@H+](C)CC1 ZINC001323620427 804050048 /nfs/dbraw/zinc/05/00/48/804050048.db2.gz DIKIFRIFHOBTIU-VIFPVBQESA-N 1 1 294.315 -0.047 20 5 CBBDMO NC(=O)C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001324141730 804112983 /nfs/dbraw/zinc/11/29/83/804112983.db2.gz NBKJLHYCLBNFQS-SNVBAGLBSA-N 1 1 294.311 -0.046 20 5 CBBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC12CC[NH+](CC1)C2 ZINC001151416087 815075939 /nfs/dbraw/zinc/07/59/39/815075939.db2.gz JWFFHTSNLILPDP-UHFFFAOYSA-N 1 1 292.295 -0.279 20 5 CBBDMO COc1ncnc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)c1[N+](=O)[O-] ZINC001155570009 815293149 /nfs/dbraw/zinc/29/31/49/815293149.db2.gz JQBGEAZBGCLIRZ-KSBSHMNSSA-N 1 1 294.271 -0.617 20 5 CBBDMO COc1ncnc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)c1[N+](=O)[O-] ZINC001155569988 815293701 /nfs/dbraw/zinc/29/37/01/815293701.db2.gz JQBGEAZBGCLIRZ-KBUNVGBDSA-N 1 1 294.271 -0.617 20 5 CBBDMO O=C(NCC[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001157775821 815466074 /nfs/dbraw/zinc/46/60/74/815466074.db2.gz YUXXYYIEZLAYNA-GHMZBOCLSA-N 1 1 298.343 -0.726 20 5 CBBDMO Cn1nccc1CC[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157767730 815462593 /nfs/dbraw/zinc/46/25/93/815462593.db2.gz SFDZLTBGILUSKK-VXGBXAGGSA-N 1 1 295.343 -0.276 20 5 CBBDMO Cn1cc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001157760356 815462728 /nfs/dbraw/zinc/46/27/28/815462728.db2.gz DLSJJTMKFBLAEG-GHMZBOCLSA-N 1 1 281.316 -0.319 20 5 CBBDMO CN(C(=O)C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001157760655 815463179 /nfs/dbraw/zinc/46/31/79/815463179.db2.gz GQLVHZFMJYHVCS-GHMZBOCLSA-N 1 1 298.343 -0.632 20 5 CBBDMO [NH3+]Cc1ncn(-c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC001157929039 815484051 /nfs/dbraw/zinc/48/40/51/815484051.db2.gz YRGKMIJYNQOLGQ-UHFFFAOYSA-N 1 1 265.189 -0.063 20 5 CBBDMO COc1nc(-n2cnc(C[NH3+])n2)ncc1[N+](=O)[O-] ZINC001157926499 815484975 /nfs/dbraw/zinc/48/49/75/815484975.db2.gz JKOOLBVGBPMORI-UHFFFAOYSA-N 1 1 251.206 -0.567 20 5 CBBDMO CC[N@@H+](CCO)CCNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001116649366 812290073 /nfs/dbraw/zinc/29/00/73/812290073.db2.gz RJSGNKBEQBBGRG-UHFFFAOYSA-N 1 1 285.304 -0.628 20 5 CBBDMO C[NH2+][C@H](C)CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001118865908 812645999 /nfs/dbraw/zinc/64/59/99/812645999.db2.gz UKUFYBNRABJUKF-SSDOTTSWSA-N 1 1 291.333 -0.395 20 5 CBBDMO CN1CCN(CCn2ccc([N+](=O)[O-])n2)CC[N@@H+](C)CC1 ZINC001119882375 812900167 /nfs/dbraw/zinc/90/01/67/812900167.db2.gz JUPHBXSOJXUCDN-UHFFFAOYSA-N 1 1 296.375 -0.030 20 5 CBBDMO COCC[N@H+](C)CCN1C[C@H](NCC[N+](=O)[O-])CC1=O ZINC001120603601 812998875 /nfs/dbraw/zinc/99/88/75/812998875.db2.gz QIWJYNZNJFVVIX-LLVKDONJSA-N 1 1 288.348 -0.968 20 5 CBBDMO COCC[N@@H+](C)CCN1C[C@H](NCC[N+](=O)[O-])CC1=O ZINC001120603601 812998879 /nfs/dbraw/zinc/99/88/79/812998879.db2.gz QIWJYNZNJFVVIX-LLVKDONJSA-N 1 1 288.348 -0.968 20 5 CBBDMO Cc1cncc([N+](=O)[O-])c1NCC(=O)N1CC[NH+](C)CC1 ZINC001120809451 813020512 /nfs/dbraw/zinc/02/05/12/813020512.db2.gz JWYJQUVWTVSZLI-UHFFFAOYSA-N 1 1 293.327 -0.094 20 5 CBBDMO COCCC(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001122388147 813157819 /nfs/dbraw/zinc/15/78/19/813157819.db2.gz NJQMQLFFDKVWDD-UHFFFAOYSA-N 1 1 285.304 -0.429 20 5 CBBDMO COc1nc(N[C@H](N)CCC[NH3+])nc(OC)c1[N+](=O)[O-] ZINC001159785534 815594244 /nfs/dbraw/zinc/59/42/44/815594244.db2.gz PSJXIGVJFWXWFX-LURJTMIESA-N 1 1 286.292 -0.162 20 5 CBBDMO Cn1nccc1C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126932263 813695072 /nfs/dbraw/zinc/69/50/72/813695072.db2.gz OSSIOBVWZXWWTI-NXEZZACHSA-N 1 1 267.289 -0.709 20 5 CBBDMO Cn1ccc(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1=O ZINC001126943741 813696861 /nfs/dbraw/zinc/69/68/61/813696861.db2.gz WAYAIVVPMJCRGO-GHMZBOCLSA-N 1 1 294.311 -0.744 20 5 CBBDMO Cn1nccc1CC[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126936456 813698034 /nfs/dbraw/zinc/69/80/34/813698034.db2.gz IXKOZBSRCRSIDT-GHMZBOCLSA-N 1 1 281.316 -0.666 20 5 CBBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])[C@H](C)C1 ZINC001138702012 814613246 /nfs/dbraw/zinc/61/32/46/814613246.db2.gz DJUYKIQLHZKMBQ-RKDXNWHRSA-N 1 1 297.315 -0.155 20 5 CBBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])[C@H](C)C1 ZINC001138702012 814613249 /nfs/dbraw/zinc/61/32/49/814613249.db2.gz DJUYKIQLHZKMBQ-RKDXNWHRSA-N 1 1 297.315 -0.155 20 5 CBBDMO Nc1cc([N+](=O)[O-])cnc1NCCN1CC[NH2+]CC1=O ZINC001161024830 815699614 /nfs/dbraw/zinc/69/96/14/815699614.db2.gz SNHMJJOZOITYEJ-UHFFFAOYSA-N 1 1 280.288 -0.584 20 5 CBBDMO Cc1c(C)c(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)ncc1[N+](=O)[O-] ZINC001162438810 815822879 /nfs/dbraw/zinc/82/28/79/815822879.db2.gz HVXZSJWFYIITPF-SCVCMEIPSA-N 1 1 293.331 -0.896 20 5 CBBDMO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ncc([N+](=O)[O-])cn2)N1 ZINC001163238085 815868546 /nfs/dbraw/zinc/86/85/46/815868546.db2.gz LMNHFBBBDZQBAJ-GMSGAONNSA-N 1 1 264.245 -0.625 20 5 CBBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC001301605480 816750339 /nfs/dbraw/zinc/75/03/39/816750339.db2.gz ODNHVLZASDQFJF-JTQLQIEISA-N 1 1 297.315 -0.765 20 5 CBBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[N@H+](C)C[C@H]1CO ZINC001301605480 816750343 /nfs/dbraw/zinc/75/03/43/816750343.db2.gz ODNHVLZASDQFJF-JTQLQIEISA-N 1 1 297.315 -0.765 20 5 CBBDMO C[N@@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC001303625793 816771597 /nfs/dbraw/zinc/77/15/97/816771597.db2.gz HBZPWRSFUCFVMO-UHFFFAOYSA-N 1 1 282.300 -0.169 20 5 CBBDMO NC(=O)[C@@H]1CN(c2ccsc2[N+](=O)[O-])CC[NH2+]1 ZINC001306922178 816795090 /nfs/dbraw/zinc/79/50/90/816795090.db2.gz HBQSWEVVTDNHRO-LURJTMIESA-N 1 1 256.287 -0.080 20 5 CBBDMO CO[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1O ZINC001307770887 816807868 /nfs/dbraw/zinc/80/78/68/816807868.db2.gz XIIHECBNRVWBFT-GHMZBOCLSA-N 1 1 283.284 -0.552 20 5 CBBDMO CC[C@@H](CO)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001307803227 816809198 /nfs/dbraw/zinc/80/91/98/816809198.db2.gz APHRNRDWLUDIIM-ONGXEEELSA-N 1 1 272.305 -0.145 20 5 CBBDMO O=CN1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC001307796963 816810419 /nfs/dbraw/zinc/81/04/19/816810419.db2.gz IDQLTANNEAQQNE-UHFFFAOYSA-N 1 1 267.289 -0.045 20 5 CBBDMO O=CN1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC001307796963 816810426 /nfs/dbraw/zinc/81/04/26/816810426.db2.gz IDQLTANNEAQQNE-UHFFFAOYSA-N 1 1 267.289 -0.045 20 5 CBBDMO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@H](CO)[C@@H](CCO)C2)c1 ZINC001308162971 816822652 /nfs/dbraw/zinc/82/26/52/816822652.db2.gz JXDJHJKIPRSBDC-WDEREUQCSA-N 1 1 284.316 -0.286 20 5 CBBDMO O=C(N[C@H]1C[C@H]([NH2+]CCCO)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001317075871 816929844 /nfs/dbraw/zinc/92/98/44/816929844.db2.gz HOUBMNYXISLIIY-ZYUZMQFOSA-N 1 1 257.290 -0.729 20 5 CBBDMO COCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001317109650 816933138 /nfs/dbraw/zinc/93/31/38/816933138.db2.gz NAVDXVTUXSGYHW-UTINFBMNSA-N 1 1 257.290 -0.465 20 5 CBBDMO CC[N@@H+](CCCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317480071 816994157 /nfs/dbraw/zinc/99/41/57/816994157.db2.gz OCZPSJORJWNORI-NXEZZACHSA-N 1 1 259.306 -0.528 20 5 CBBDMO CC[N@H+](CCCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001317480071 816994160 /nfs/dbraw/zinc/99/41/60/816994160.db2.gz OCZPSJORJWNORI-NXEZZACHSA-N 1 1 259.306 -0.528 20 5 CBBDMO CC[N@@H+](CCCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001317480071 816994165 /nfs/dbraw/zinc/99/41/65/816994165.db2.gz OCZPSJORJWNORI-NXEZZACHSA-N 1 1 259.306 -0.528 20 5 CBBDMO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@H]1CO ZINC001163882266 819860747 /nfs/dbraw/zinc/86/07/47/819860747.db2.gz SPBJTIFKGWKQJP-JTQLQIEISA-N 1 1 294.311 -0.194 20 5 CBBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@H]1CO ZINC001163882266 819860757 /nfs/dbraw/zinc/86/07/57/819860757.db2.gz SPBJTIFKGWKQJP-JTQLQIEISA-N 1 1 294.311 -0.194 20 5 CBBDMO CN(C)C1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1 ZINC001163943090 819871636 /nfs/dbraw/zinc/87/16/36/819871636.db2.gz YZFJOVRQCGIOTK-UHFFFAOYSA-N 1 1 278.316 -0.178 20 5 CBBDMO COc1nc(C)nc(-n2cnc(C[NH3+])n2)c1[N+](=O)[O-] ZINC001168749707 820173554 /nfs/dbraw/zinc/17/35/54/820173554.db2.gz LQCDGJQTCPTJTO-UHFFFAOYSA-N 1 1 265.233 -0.259 20 5 CBBDMO Cn1cc(-n2cnc(C[NH3+])n2)cc([N+](=O)[O-])c1=O ZINC001168754485 820174401 /nfs/dbraw/zinc/17/44/01/820174401.db2.gz SUXGQBOKGUTARM-UHFFFAOYSA-N 1 1 250.218 -0.667 20 5 CBBDMO [NH3+]Cc1ncn(-c2c(F)c([N+](=O)[O-])cc[n+]2[O-])n1 ZINC001168749983 820174932 /nfs/dbraw/zinc/17/49/32/820174932.db2.gz PJPTUSXDVZOFKI-UHFFFAOYSA-N 1 1 254.181 -0.593 20 5 CBBDMO COC(=O)c1ncc([N+](=O)[O-])cc1-n1cnc(C[NH3+])n1 ZINC001168756512 820176613 /nfs/dbraw/zinc/17/66/13/820176613.db2.gz OICQKYZJTOSBAI-UHFFFAOYSA-N 1 1 278.228 -0.184 20 5 CBBDMO Cn1cc(-n2[nH]c(=O)nc2C[NH3+])cc([N+](=O)[O-])c1=O ZINC001168760714 820178482 /nfs/dbraw/zinc/17/84/82/820178482.db2.gz FKIGHWAIKNZUCL-UHFFFAOYSA-N 1 1 266.217 -0.962 20 5 CBBDMO CC[C@]([NH3+])(CO)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001170857929 820327923 /nfs/dbraw/zinc/32/79/23/820327923.db2.gz LGJJFNVZNOTZGH-SNVBAGLBSA-N 1 1 269.261 -0.442 20 5 CBBDMO C[NH+]1CCN(C(=O)CO[C@H](C[N+](=O)[O-])C2CC2)CC1 ZINC001222543068 825215880 /nfs/dbraw/zinc/21/58/80/825215880.db2.gz MITINNJWVZDIFG-LLVKDONJSA-N 1 1 271.317 -0.168 20 5 CBBDMO CN1CCN(CCOC(=O)C[C@@H](O)C[N+](C)(C)C)CC1 ZINC001224552351 825242098 /nfs/dbraw/zinc/24/20/98/825242098.db2.gz OWNVLBFKMZHSPI-CYBMUJFWSA-N 1 1 288.412 -0.766 20 5 CBBDMO C[N+](C)(C)C[C@H](O)CC(=O)Oc1n[nH]cc2nncc1-2 ZINC001230896626 825379894 /nfs/dbraw/zinc/37/98/94/825379894.db2.gz SSLPOUUJTYZCNQ-MRVPVSSYSA-N 1 1 280.308 -0.285 20 5 CBBDMO COC(=O)[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H]1N ZINC001246935736 825733882 /nfs/dbraw/zinc/73/38/82/825733882.db2.gz YJRQTNRGJNEHQA-GWOFURMSSA-N 1 1 271.317 -0.136 20 5 CBBDMO COC(=O)[C@@H]1CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H]1[NH3+] ZINC001246935736 825733883 /nfs/dbraw/zinc/73/38/83/825733883.db2.gz YJRQTNRGJNEHQA-GWOFURMSSA-N 1 1 271.317 -0.136 20 5 CBBDMO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001253825831 825934878 /nfs/dbraw/zinc/93/48/78/825934878.db2.gz RGOZDGNWLPTURZ-SECBINFHSA-N 1 1 296.331 -0.316 20 5 CBBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])c(C(N)=O)n1)C1CC1 ZINC001261208649 826494143 /nfs/dbraw/zinc/49/41/43/826494143.db2.gz ARXJOIMZMAVBQP-MRVPVSSYSA-N 1 1 283.288 -0.655 20 5 CBBDMO O=C(NCC[N@H+](CCCO)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266592200 827029595 /nfs/dbraw/zinc/02/95/95/827029595.db2.gz KJCYTLNDSLAYPU-GHMZBOCLSA-N 1 1 271.317 -0.385 20 5 CBBDMO O=C(NCC[N@@H+](CCCO)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001266592200 827029603 /nfs/dbraw/zinc/02/96/03/827029603.db2.gz KJCYTLNDSLAYPU-GHMZBOCLSA-N 1 1 271.317 -0.385 20 5 CBBDMO O=C(NCC[N@H+](CCCO)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001266592200 827029622 /nfs/dbraw/zinc/02/96/22/827029622.db2.gz KJCYTLNDSLAYPU-GHMZBOCLSA-N 1 1 271.317 -0.385 20 5 CBBDMO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCOC ZINC001267240934 827137408 /nfs/dbraw/zinc/13/74/08/827137408.db2.gz DRQRRLPIWSNDPS-NXEZZACHSA-N 1 1 259.306 -0.264 20 5 CBBDMO CC[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCOC ZINC001267240934 827137410 /nfs/dbraw/zinc/13/74/10/827137410.db2.gz DRQRRLPIWSNDPS-NXEZZACHSA-N 1 1 259.306 -0.264 20 5 CBBDMO CC[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCOC ZINC001267240934 827137414 /nfs/dbraw/zinc/13/74/14/827137414.db2.gz DRQRRLPIWSNDPS-NXEZZACHSA-N 1 1 259.306 -0.264 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N(CCO)CC[NH2+]C/C=C\Cl ZINC001326022072 884874840 /nfs/dbraw/zinc/87/48/40/884874840.db2.gz IUXGOCJRVDODLZ-BSANDHCLSA-N 1 1 291.735 -0.185 20 5 CBBDMO CNC(=O)[C@@H](CO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001326503822 885048843 /nfs/dbraw/zinc/04/88/43/885048843.db2.gz WDZAYSNVSMJLRD-MNOVXSKESA-N 1 1 283.284 -0.675 20 5 CBBDMO CNC(=O)[C@@H](CO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001326503820 885049308 /nfs/dbraw/zinc/04/93/08/885049308.db2.gz WDZAYSNVSMJLRD-GHMZBOCLSA-N 1 1 283.284 -0.675 20 5 CBBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC(CO)(CO)C1 ZINC001328430418 885685074 /nfs/dbraw/zinc/68/50/74/885685074.db2.gz ZOEVSMLCPZSEAS-UHFFFAOYSA-N 1 1 297.311 -0.567 20 5 CBBDMO O=[N+]([O-])CCN1CC[NH+](CCc2cnccn2)CC1 ZINC001335045756 888392298 /nfs/dbraw/zinc/39/22/98/888392298.db2.gz HPNROZDLDOIXDV-UHFFFAOYSA-N 1 1 265.317 -0.087 20 5 CBBDMO C[NH+]1CC(N2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)C1 ZINC001349327173 890797581 /nfs/dbraw/zinc/79/75/81/890797581.db2.gz KYJYVXRJCSTMCG-UHFFFAOYSA-N 1 1 294.315 -0.610 20 5 CBBDMO C[NH+]1CCN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC001349638373 890854542 /nfs/dbraw/zinc/85/45/42/890854542.db2.gz PORIFQJORLILLW-UHFFFAOYSA-N 1 1 296.283 -0.308 20 5 CBBDMO C[N@@H+](CCO)CCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC001455778726 914410007 /nfs/dbraw/zinc/41/00/07/914410007.db2.gz FKAGYPLWDYDISZ-UHFFFAOYSA-N 1 1 282.300 -0.169 20 5 CBBDMO CNC(=O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001506957700 921646688 /nfs/dbraw/zinc/64/66/88/921646688.db2.gz XRAWJBABBFKJFK-GHMZBOCLSA-N 1 1 298.343 -0.680 20 5 CBBDMO CNC(=O)C[N@H+](C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001506957700 921646696 /nfs/dbraw/zinc/64/66/96/921646696.db2.gz XRAWJBABBFKJFK-GHMZBOCLSA-N 1 1 298.343 -0.680 20 5 CBBDMO CNC(=O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001506957700 921646704 /nfs/dbraw/zinc/64/67/04/921646704.db2.gz XRAWJBABBFKJFK-GHMZBOCLSA-N 1 1 298.343 -0.680 20 5 CBBDMO C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@@H+]1C ZINC001465102572 915037218 /nfs/dbraw/zinc/03/72/18/915037218.db2.gz JZSXFHHEOWKLDC-MRVPVSSYSA-N 1 1 268.277 -0.651 20 5 CBBDMO C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@H+]1C ZINC001465102572 915037237 /nfs/dbraw/zinc/03/72/37/915037237.db2.gz JZSXFHHEOWKLDC-MRVPVSSYSA-N 1 1 268.277 -0.651 20 5 CBBDMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)c1c[nH]nc1[N+](=O)[O-] ZINC001468292415 915286678 /nfs/dbraw/zinc/28/66/78/915286678.db2.gz SWEFZYNAEPECEH-SECBINFHSA-N 1 1 297.315 -0.106 20 5 CBBDMO O=C(NC[C@]1(CO)COCC[NH2+]1)c1cc([N+](=O)[O-])c[nH]1 ZINC001471177685 915560830 /nfs/dbraw/zinc/56/08/30/915560830.db2.gz FILCENPSZFOIBR-NSHDSACASA-N 1 1 284.272 -0.996 20 5 CBBDMO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)[C@@H](CO)C1 ZINC001472843246 915773564 /nfs/dbraw/zinc/77/35/64/915773564.db2.gz RCGPJBZJEQGKLF-SSDOTTSWSA-N 1 1 268.277 -0.920 20 5 CBBDMO C[N@H+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)[C@@H](CO)C1 ZINC001472843246 915773578 /nfs/dbraw/zinc/77/35/78/915773578.db2.gz RCGPJBZJEQGKLF-SSDOTTSWSA-N 1 1 268.277 -0.920 20 5 CBBDMO COC[C@](C)(CO)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC001473710801 915847026 /nfs/dbraw/zinc/84/70/26/915847026.db2.gz GJQJLHRAXICZJQ-JTQLQIEISA-N 1 1 258.278 -0.185 20 5 CBBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](O)[C@@H](O)C2)n1 ZINC001473721612 915852171 /nfs/dbraw/zinc/85/21/71/915852171.db2.gz ALKNOSUCKQCOGC-BDAKNGLRSA-N 1 1 256.262 -0.781 20 5 CBBDMO O=[N+]([O-])c1ccn(CC[N@H+]2C[C@@H](CO)[C@H](CCO)C2)n1 ZINC001473894438 915881417 /nfs/dbraw/zinc/88/14/17/915881417.db2.gz XVNRYOPLHSHSJB-MNOVXSKESA-N 1 1 284.316 -0.286 20 5 CBBDMO C[N@@H+](CCCO)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001479770456 916171223 /nfs/dbraw/zinc/17/12/23/916171223.db2.gz NQXSYTZBNQXOLQ-NXEZZACHSA-N 1 1 259.306 -0.528 20 5 CBBDMO C[N@H+](CCCO)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001479770456 916171232 /nfs/dbraw/zinc/17/12/32/916171232.db2.gz NQXSYTZBNQXOLQ-NXEZZACHSA-N 1 1 259.306 -0.528 20 5 CBBDMO C[N@@H+](CCCO)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001479770456 916171242 /nfs/dbraw/zinc/17/12/42/916171242.db2.gz NQXSYTZBNQXOLQ-NXEZZACHSA-N 1 1 259.306 -0.528 20 5 CBBDMO CCN(CC[NH2+]CCn1cccn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001482924144 917338051 /nfs/dbraw/zinc/33/80/51/917338051.db2.gz CDOJPTMLTGSQQS-VXGBXAGGSA-N 1 1 295.343 -0.014 20 5 CBBDMO CN(CC(C)(C)C[NH2+]CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001485250484 918036059 /nfs/dbraw/zinc/03/60/59/918036059.db2.gz HITDFEKDXOPEEO-NXEZZACHSA-N 1 1 273.333 -0.282 20 5 CBBDMO C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)N1CCC1 ZINC001490193612 918864779 /nfs/dbraw/zinc/86/47/79/918864779.db2.gz USHNBPCAKQJRTI-GHMZBOCLSA-N 1 1 298.343 -0.678 20 5 CBBDMO COCC(=O)NCC1([NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001499144728 920709955 /nfs/dbraw/zinc/70/99/55/920709955.db2.gz QCRNQJPCAMZOJX-UHFFFAOYSA-N 1 1 297.315 -0.287 20 5 CBBDMO C[N@@H+](CC(N)=O)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273030963 529852064 /nfs/dbraw/zinc/85/20/64/529852064.db2.gz MSZMNAFUPVQLOC-SECBINFHSA-N 1 1 283.284 -0.248 20 5 CBBDMO C[N@H+](CC(N)=O)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273030963 529852065 /nfs/dbraw/zinc/85/20/65/529852065.db2.gz MSZMNAFUPVQLOC-SECBINFHSA-N 1 1 283.284 -0.248 20 5 CBBDMO CC[N@@H+](CCO)CCNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000274583955 352541367 /nfs/dbraw/zinc/54/13/67/352541367.db2.gz SXSGUYXWJVRBPU-UHFFFAOYSA-N 1 1 285.304 -0.330 20 5 CBBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[NH+](C2CC2)CC1 ZINC000049388444 351492011 /nfs/dbraw/zinc/49/20/11/351492011.db2.gz ABZHVXDMAZXLLR-UHFFFAOYSA-N 1 1 280.288 -0.507 20 5 CBBDMO NS(=O)(=O)[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000339841301 215360175 /nfs/dbraw/zinc/36/01/75/215360175.db2.gz PHESPAAIZFBOKM-SECBINFHSA-N 1 1 289.317 -0.846 20 5 CBBDMO NS(=O)(=O)[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000339841301 215360176 /nfs/dbraw/zinc/36/01/76/215360176.db2.gz PHESPAAIZFBOKM-SECBINFHSA-N 1 1 289.317 -0.846 20 5 CBBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCNC(=O)CC1 ZINC000090525904 351740961 /nfs/dbraw/zinc/74/09/61/351740961.db2.gz MOEXJSNWKQJDPU-UHFFFAOYSA-N 1 1 280.284 -0.422 20 5 CBBDMO CC(C)[N@@H+](CCO)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174658996 352049460 /nfs/dbraw/zinc/04/94/60/352049460.db2.gz RSKRPQLCJZKAAY-NSHDSACASA-N 1 1 272.305 -0.145 20 5 CBBDMO CC(=O)N1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174646557 352049688 /nfs/dbraw/zinc/04/96/88/352049688.db2.gz QSAKHCJODNUABF-GFCCVEGCSA-N 1 1 297.315 -0.684 20 5 CBBDMO CN(C)C(=O)C[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176196555 352063459 /nfs/dbraw/zinc/06/34/59/352063459.db2.gz BFJFDZOAOLQOPF-UHFFFAOYSA-N 1 1 255.278 -0.189 20 5 CBBDMO CN(C)C(=O)C[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176196555 352063463 /nfs/dbraw/zinc/06/34/63/352063463.db2.gz BFJFDZOAOLQOPF-UHFFFAOYSA-N 1 1 255.278 -0.189 20 5 CBBDMO NC(=O)c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000179171297 352088637 /nfs/dbraw/zinc/08/86/37/352088637.db2.gz PGCQDIKYMJFMTI-GHMZBOCLSA-N 1 1 295.295 -0.379 20 5 CBBDMO NC(=O)c1ccc(C[N@H+]2C[C@H](O)C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000179171297 352088640 /nfs/dbraw/zinc/08/86/40/352088640.db2.gz PGCQDIKYMJFMTI-GHMZBOCLSA-N 1 1 295.295 -0.379 20 5 CBBDMO C[C@@H](O)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C)CO ZINC000190919038 352184863 /nfs/dbraw/zinc/18/48/63/352184863.db2.gz NDNZQPUZEQHOCY-VHSXEESVSA-N 1 1 272.305 -0.145 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000246818811 352338761 /nfs/dbraw/zinc/33/87/61/352338761.db2.gz CCJMQDKFHNTXMF-AAEUAGOBSA-N 1 1 295.343 -0.068 20 5 CBBDMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1O ZINC000249602981 352369894 /nfs/dbraw/zinc/36/98/94/352369894.db2.gz YWLVQTFFFGLTPC-JLLWLGSASA-N 1 1 284.316 -0.145 20 5 CBBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000270805809 352501972 /nfs/dbraw/zinc/50/19/72/352501972.db2.gz VMZJXYZDPNZQDL-MRVPVSSYSA-N 1 1 283.288 -0.232 20 5 CBBDMO COCC[N@@H+]1CC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000270805809 352501979 /nfs/dbraw/zinc/50/19/79/352501979.db2.gz VMZJXYZDPNZQDL-MRVPVSSYSA-N 1 1 283.288 -0.232 20 5 CBBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000270805809 352501982 /nfs/dbraw/zinc/50/19/82/352501982.db2.gz VMZJXYZDPNZQDL-MRVPVSSYSA-N 1 1 283.288 -0.232 20 5 CBBDMO C[C@@]1(C(N)=O)CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000280820582 352598488 /nfs/dbraw/zinc/59/84/88/352598488.db2.gz USWZXVQKSIMFDJ-LLVKDONJSA-N 1 1 267.289 -0.011 20 5 CBBDMO O=C(N[C@H]1CCC[N@H+](CCCO)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000295492130 352706520 /nfs/dbraw/zinc/70/65/20/352706520.db2.gz OQJLZTJYLVXWJY-VIFPVBQESA-N 1 1 297.315 -0.106 20 5 CBBDMO C[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CC[N@@H+]1CCO ZINC000302401077 352740340 /nfs/dbraw/zinc/74/03/40/352740340.db2.gz JYIKWGFTOJXEOI-MRVPVSSYSA-N 1 1 282.304 -0.530 20 5 CBBDMO C[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CC[N@H+]1CCO ZINC000302401077 352740343 /nfs/dbraw/zinc/74/03/43/352740343.db2.gz JYIKWGFTOJXEOI-MRVPVSSYSA-N 1 1 282.304 -0.530 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H](CO)C2)c1 ZINC000304380528 352746431 /nfs/dbraw/zinc/74/64/31/352746431.db2.gz YFEHPDRWCVORFL-PWSUYJOCSA-N 1 1 284.316 -0.144 20 5 CBBDMO COCC[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000312722060 352776061 /nfs/dbraw/zinc/77/60/61/352776061.db2.gz IOTBAUZUTCFUJE-NSHDSACASA-N 1 1 285.300 -0.304 20 5 CBBDMO C[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)[N@@H+](C)C1CC1 ZINC000340724041 353183604 /nfs/dbraw/zinc/18/36/04/353183604.db2.gz PPXWZHLZBHWOAK-QMMMGPOBSA-N 1 1 282.304 -0.215 20 5 CBBDMO NC(=O)N[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000342868748 353237240 /nfs/dbraw/zinc/23/72/40/353237240.db2.gz QSGLHYPHHVPZJL-MRVPVSSYSA-N 1 1 268.277 -0.466 20 5 CBBDMO C[N@H+]1CC[C@H](Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)C1 ZINC000352910511 353510656 /nfs/dbraw/zinc/51/06/56/353510656.db2.gz DQGNKGVCJVSUSQ-QMMMGPOBSA-N 1 1 280.284 -0.193 20 5 CBBDMO CC[N@@H+](C)CCNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000354022482 353538825 /nfs/dbraw/zinc/53/88/25/353538825.db2.gz PJWHWOQRGNEBML-UHFFFAOYSA-N 1 1 256.266 -0.746 20 5 CBBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000354689420 353578302 /nfs/dbraw/zinc/57/83/02/353578302.db2.gz WNKBFQBSMIKHQY-JTQLQIEISA-N 1 1 269.261 -0.886 20 5 CBBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000355160568 353588505 /nfs/dbraw/zinc/58/85/05/353588505.db2.gz FXADWVZKVXORBR-SECBINFHSA-N 1 1 297.315 -0.153 20 5 CBBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000358056227 353622239 /nfs/dbraw/zinc/62/22/39/353622239.db2.gz ZWVNSVALGUWFPQ-NSHDSACASA-N 1 1 268.273 -0.281 20 5 CBBDMO COCC[N@H+]1CC[C@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000357900322 353612868 /nfs/dbraw/zinc/61/28/68/353612868.db2.gz VEBIYIYHIUWOCR-VIFPVBQESA-N 1 1 297.315 -0.221 20 5 CBBDMO C[C@@H]1CC(=O)NCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000375844325 353768103 /nfs/dbraw/zinc/76/81/03/353768103.db2.gz VGJXQIKPKVDCND-KOLCDFICSA-N 1 1 297.315 -0.637 20 5 CBBDMO C[C@H]1CC(=O)NCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000375844324 353768307 /nfs/dbraw/zinc/76/83/07/353768307.db2.gz VGJXQIKPKVDCND-GXSJLCMTSA-N 1 1 297.315 -0.637 20 5 CBBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000408071590 353843681 /nfs/dbraw/zinc/84/36/81/353843681.db2.gz OBBLRIXXDNAFCG-DTWKUNHWSA-N 1 1 282.304 -0.263 20 5 CBBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000408087473 353846489 /nfs/dbraw/zinc/84/64/89/353846489.db2.gz BBDDRQMZOYJMLF-SECBINFHSA-N 1 1 280.288 -0.507 20 5 CBBDMO C[C@@H]1[C@@H](CO)CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000488810911 354427799 /nfs/dbraw/zinc/42/77/99/354427799.db2.gz WUCCSYUSPSLFCE-CKYFFXLPSA-N 1 1 284.316 -0.145 20 5 CBBDMO CC[C@]1(O)CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000495194071 354499512 /nfs/dbraw/zinc/49/95/12/354499512.db2.gz NNGSRXUOCYYIJJ-RYUDHWBXSA-N 1 1 284.316 -0.001 20 5 CBBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000519609966 354564755 /nfs/dbraw/zinc/56/47/55/354564755.db2.gz OLHGIYYFHLTLHT-SNVBAGLBSA-N 1 1 286.267 -0.654 20 5 CBBDMO C[C@@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC[NH2+]1 ZINC000568761088 354832243 /nfs/dbraw/zinc/83/22/43/354832243.db2.gz JRLLEZIMTBKREF-MRVPVSSYSA-N 1 1 286.313 -0.028 20 5 CBBDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000592195155 355139164 /nfs/dbraw/zinc/13/91/64/355139164.db2.gz JKKBIOBMKWRSQW-KOLCDFICSA-N 1 1 298.299 -0.353 20 5 CBBDMO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593534450 355209067 /nfs/dbraw/zinc/20/90/67/355209067.db2.gz AAWYYNZZJNBVNQ-QMMMGPOBSA-N 1 1 286.313 -0.028 20 5 CBBDMO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593534450 355209070 /nfs/dbraw/zinc/20/90/70/355209070.db2.gz AAWYYNZZJNBVNQ-QMMMGPOBSA-N 1 1 286.313 -0.028 20 5 CBBDMO COC[C@H]1C[C@@H](O)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000593066351 355191437 /nfs/dbraw/zinc/19/14/37/355191437.db2.gz MJPLBPZSCVIXBW-MWLCHTKSSA-N 1 1 270.289 -0.127 20 5 CBBDMO CCC[N@H+]1CC[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000598343050 355438916 /nfs/dbraw/zinc/43/89/16/355438916.db2.gz RYZMGYWAGITRNU-SECBINFHSA-N 1 1 282.304 -0.213 20 5 CBBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2C[C@H]([NH3+])C2)n1 ZINC000599097020 355463382 /nfs/dbraw/zinc/46/33/82/355463382.db2.gz ARXHANBJWSMXIP-IZLXSQMJSA-N 1 1 275.290 -0.904 20 5 CBBDMO C[C@H]([NH3+])C[C@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599097294 355463459 /nfs/dbraw/zinc/46/34/59/355463459.db2.gz AVATUOAQHBJTEE-BQBZGAKWSA-N 1 1 291.333 -0.268 20 5 CBBDMO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])o1 ZINC000600551514 355558019 /nfs/dbraw/zinc/55/80/19/355558019.db2.gz QLCLHRHPZPZAJV-MRVPVSSYSA-N 1 1 269.257 -0.016 20 5 CBBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])o1 ZINC000600551514 355558022 /nfs/dbraw/zinc/55/80/22/355558022.db2.gz QLCLHRHPZPZAJV-MRVPVSSYSA-N 1 1 269.257 -0.016 20 5 CBBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000600807475 355566681 /nfs/dbraw/zinc/56/66/81/355566681.db2.gz HPSVCSDIFGLSFQ-QMMMGPOBSA-N 1 1 268.273 -0.281 20 5 CBBDMO CNC(=O)[C@@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602699813 355667872 /nfs/dbraw/zinc/66/78/72/355667872.db2.gz RQTXEGVWRFDJRC-MRVPVSSYSA-N 1 1 267.289 -0.104 20 5 CBBDMO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cn2)[C@@H](CO)C1 ZINC000601980236 355624708 /nfs/dbraw/zinc/62/47/08/355624708.db2.gz SRTZGJQGENSGEG-SECBINFHSA-N 1 1 253.262 -0.503 20 5 CBBDMO C[N@H+]1CCN(c2ncc([N+](=O)[O-])cn2)[C@@H](CO)C1 ZINC000601980236 355624710 /nfs/dbraw/zinc/62/47/10/355624710.db2.gz SRTZGJQGENSGEG-SECBINFHSA-N 1 1 253.262 -0.503 20 5 CBBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000609531296 355769931 /nfs/dbraw/zinc/76/99/31/355769931.db2.gz NJQSGJQSFRSCAK-LLVKDONJSA-N 1 1 295.343 -0.091 20 5 CBBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000609531299 355770304 /nfs/dbraw/zinc/77/03/04/355770304.db2.gz NJQSGJQSFRSCAK-NSHDSACASA-N 1 1 295.343 -0.091 20 5 CBBDMO CC(C)(CO)[NH+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000611516138 355804169 /nfs/dbraw/zinc/80/41/69/355804169.db2.gz VKUQLJHBSMMSLC-UHFFFAOYSA-N 1 1 297.315 -0.153 20 5 CBBDMO NC(=O)[C@H]1CN(c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000296495739 283355525 /nfs/dbraw/zinc/35/55/25/283355525.db2.gz NVLGQIQSLPMYGM-MRVPVSSYSA-N 1 1 250.258 -0.142 20 5 CBBDMO NC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC000298454077 283355753 /nfs/dbraw/zinc/35/57/53/283355753.db2.gz IMURKATVRAKFJG-SECBINFHSA-N 1 1 268.248 -0.003 20 5 CBBDMO C[C@@H]1C[C@H](O)C[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000340973308 215782726 /nfs/dbraw/zinc/78/27/26/215782726.db2.gz PKHWYFCBFFOZFG-DVVUODLYSA-N 1 1 270.289 -0.393 20 5 CBBDMO CNC(=O)CC[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000179208188 189177674 /nfs/dbraw/zinc/17/76/74/189177674.db2.gz CDQVWNBFROZFOP-UHFFFAOYSA-N 1 1 282.300 -0.176 20 5 CBBDMO COCC[N@H+]1CC[C@H](NC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000330588365 203007992 /nfs/dbraw/zinc/00/79/92/203007992.db2.gz YPTNLUSBWOLVGR-VIFPVBQESA-N 1 1 297.315 -0.221 20 5 CBBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000331623636 204020968 /nfs/dbraw/zinc/02/09/68/204020968.db2.gz HCOBVCJEAAOKIO-UWVGGRQHSA-N 1 1 294.315 -0.071 20 5 CBBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H]1C ZINC000285820553 372944562 /nfs/dbraw/zinc/94/45/62/372944562.db2.gz WJXDPPKRODUBKK-IUCAKERBSA-N 1 1 297.315 -0.155 20 5 CBBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H]1C ZINC000285820553 372944569 /nfs/dbraw/zinc/94/45/69/372944569.db2.gz WJXDPPKRODUBKK-IUCAKERBSA-N 1 1 297.315 -0.155 20 5 CBBDMO COCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC1 ZINC000363375180 373489349 /nfs/dbraw/zinc/48/93/49/373489349.db2.gz QAZMLQCCDCGHQA-MNOVXSKESA-N 1 1 271.317 -0.168 20 5 CBBDMO COCC[N@@H+]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000363375180 373489352 /nfs/dbraw/zinc/48/93/52/373489352.db2.gz QAZMLQCCDCGHQA-MNOVXSKESA-N 1 1 271.317 -0.168 20 5 CBBDMO COCC[N@H+]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000363375180 373489355 /nfs/dbraw/zinc/48/93/55/373489355.db2.gz QAZMLQCCDCGHQA-MNOVXSKESA-N 1 1 271.317 -0.168 20 5 CBBDMO COC(=O)[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)CC[N@H+](C)C1 ZINC000413511462 373622378 /nfs/dbraw/zinc/62/23/78/373622378.db2.gz ZQFLNKCMYYTSBX-VIFPVBQESA-N 1 1 295.299 -0.074 20 5 CBBDMO COC(=O)[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)CC[N@@H+](C)C1 ZINC000413511462 373622384 /nfs/dbraw/zinc/62/23/84/373622384.db2.gz ZQFLNKCMYYTSBX-VIFPVBQESA-N 1 1 295.299 -0.074 20 5 CBBDMO C[N@H+]1CC[C@@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000532688207 374170696 /nfs/dbraw/zinc/17/06/96/374170696.db2.gz ADYLJEPRYZQMHB-SECBINFHSA-N 1 1 267.289 -0.141 20 5 CBBDMO O=C(NCCC[NH+]1CCOCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000548735447 374213986 /nfs/dbraw/zinc/21/39/86/374213986.db2.gz VAUFFHFDBDGMRP-UHFFFAOYSA-N 1 1 283.288 -0.230 20 5 CBBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000561784838 374302229 /nfs/dbraw/zinc/30/22/29/374302229.db2.gz NAQOLDHVJGWQRK-CMPLNLGQSA-N 1 1 297.311 -0.568 20 5 CBBDMO CN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000347003559 218089485 /nfs/dbraw/zinc/08/94/85/218089485.db2.gz GKQVPKKXYFXKIE-SNVBAGLBSA-N 1 1 294.315 -0.119 20 5 CBBDMO CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC(N)=O ZINC000429178612 208114442 /nfs/dbraw/zinc/11/44/42/208114442.db2.gz ULHUGBRHNSEHFC-UHFFFAOYSA-N 1 1 255.278 -0.011 20 5 CBBDMO CCC[N@H+](CC(N)=O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000429180426 208114553 /nfs/dbraw/zinc/11/45/53/208114553.db2.gz XZTOQLUODGPZSO-SNVBAGLBSA-N 1 1 285.304 -0.651 20 5 CBBDMO CC(C)[N@@H+](C)CCNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000353938650 220420410 /nfs/dbraw/zinc/42/04/10/220420410.db2.gz IFSZVGJQGKWODF-UHFFFAOYSA-N 1 1 270.293 -0.357 20 5 CBBDMO C[C@H](CO)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000284804304 196134272 /nfs/dbraw/zinc/13/42/72/196134272.db2.gz OUMRRMWTKFTDOE-PSASIEDQSA-N 1 1 258.278 -0.535 20 5 CBBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1(CO)CC1 ZINC000285667058 196359719 /nfs/dbraw/zinc/35/97/19/196359719.db2.gz ZKWFLLDQFRPBMZ-SNVBAGLBSA-N 1 1 270.289 -0.391 20 5 CBBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)[C@H]2C1 ZINC000285751239 196387431 /nfs/dbraw/zinc/38/74/31/196387431.db2.gz LMHDYKWURQAWEF-VHSXEESVSA-N 1 1 295.299 -0.137 20 5 CBBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[NH2+][C@@H](C(N)=O)C1 ZINC000271616629 419601501 /nfs/dbraw/zinc/60/15/01/419601501.db2.gz VYRFGNOCJRVGFU-SECBINFHSA-N 1 1 265.273 -0.438 20 5 CBBDMO C[N@H+]1CC[C@](O)(CNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000358342515 419894708 /nfs/dbraw/zinc/89/47/08/419894708.db2.gz SCFUJUXLAZRQKZ-JTQLQIEISA-N 1 1 268.277 -0.555 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000364512472 420040982 /nfs/dbraw/zinc/04/09/82/420040982.db2.gz XLFYTUVQUGYDSZ-MXWKQRLJSA-N 1 1 296.327 -0.926 20 5 CBBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000572899092 420457965 /nfs/dbraw/zinc/45/79/65/420457965.db2.gz SKPUCRIMGUSSPZ-LBPRGKRZSA-N 1 1 295.299 -0.632 20 5 CBBDMO Nc1nccc(C(=O)NCC[NH+]2CCC2)c1[N+](=O)[O-] ZINC000594326580 420484616 /nfs/dbraw/zinc/48/46/16/420484616.db2.gz PPGIMPUGQVAVOV-UHFFFAOYSA-N 1 1 265.273 0.008 20 5 CBBDMO O=[N+]([O-])c1cnc(NCC[N@H+]2CC[C@H](O)C2)s1 ZINC000599198917 420491792 /nfs/dbraw/zinc/49/17/92/420491792.db2.gz AUPGIDGRYNBHBA-ZETCQYMHSA-N 1 1 258.303 0.530 20 5 CBBDMO O=[N+]([O-])c1cnc(NCC[N@@H+]2CC[C@H](O)C2)s1 ZINC000599198917 420491793 /nfs/dbraw/zinc/49/17/93/420491793.db2.gz AUPGIDGRYNBHBA-ZETCQYMHSA-N 1 1 258.303 0.530 20 5 CBBDMO COCC[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000564188825 333240624 /nfs/dbraw/zinc/24/06/24/333240624.db2.gz PUQHZCLKJOXOKF-QMMMGPOBSA-N 1 1 283.288 -0.232 20 5 CBBDMO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)NC ZINC000746671341 582285199 /nfs/dbraw/zinc/28/51/99/582285199.db2.gz IUEIXPBDKUJSFG-UHFFFAOYSA-N 1 1 255.278 -0.141 20 5 CBBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)NC ZINC000746671341 582285200 /nfs/dbraw/zinc/28/52/00/582285200.db2.gz IUEIXPBDKUJSFG-UHFFFAOYSA-N 1 1 255.278 -0.141 20 5 CBBDMO C[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@@H+]1C ZINC000748346132 582287629 /nfs/dbraw/zinc/28/76/29/582287629.db2.gz AFSHLMJOUXVVSF-VIFPVBQESA-N 1 1 267.289 -0.046 20 5 CBBDMO C[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@H+]1C ZINC000748346132 582287630 /nfs/dbraw/zinc/28/76/30/582287630.db2.gz AFSHLMJOUXVVSF-VIFPVBQESA-N 1 1 267.289 -0.046 20 5 CBBDMO O=C1C[C@]2(CC[N@@H+](Cn3nccc3[N+](=O)[O-])C2)CN1 ZINC000788383561 582385866 /nfs/dbraw/zinc/38/58/66/582385866.db2.gz RFIRZPVTMIGQFH-LLVKDONJSA-N 1 1 265.273 -0.039 20 5 CBBDMO O=C1C[C@]2(CC[N@H+](Cn3nccc3[N+](=O)[O-])C2)CN1 ZINC000788383561 582385867 /nfs/dbraw/zinc/38/58/67/582385867.db2.gz RFIRZPVTMIGQFH-LLVKDONJSA-N 1 1 265.273 -0.039 20 5 CBBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cc([N+](=O)[O-])n[nH]1 ZINC000795849764 582410712 /nfs/dbraw/zinc/41/07/12/582410712.db2.gz ADBUUNHFRSODGK-IUCAKERBSA-N 1 1 295.299 -0.089 20 5 CBBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1CC[N@@H+]1C ZINC000830136453 582921957 /nfs/dbraw/zinc/92/19/57/582921957.db2.gz XZPUZTWHXUEIJR-SECBINFHSA-N 1 1 267.289 -0.080 20 5 CBBDMO C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000834570026 583131838 /nfs/dbraw/zinc/13/18/38/583131838.db2.gz XILNVJZJEVEDAV-FOGDFJRCSA-N 1 1 271.317 -0.433 20 5 CBBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839605124 583156888 /nfs/dbraw/zinc/15/68/88/583156888.db2.gz JCZRKHNBUPKMLK-LNFKQOIKSA-N 1 1 269.301 -0.369 20 5 CBBDMO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@@H]1CC1[N+](=O)[O-] ZINC000839605124 583156890 /nfs/dbraw/zinc/15/68/90/583156890.db2.gz JCZRKHNBUPKMLK-LNFKQOIKSA-N 1 1 269.301 -0.369 20 5 CBBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@@H]1CC1[N+](=O)[O-] ZINC000839605124 583156891 /nfs/dbraw/zinc/15/68/91/583156891.db2.gz JCZRKHNBUPKMLK-LNFKQOIKSA-N 1 1 269.301 -0.369 20 5 CBBDMO O=C(NC[C@H]1C[N@H+]2CCN1CCC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000854354683 583600381 /nfs/dbraw/zinc/60/03/81/583600381.db2.gz UFQZFHQJYUGUSY-HBNTYKKESA-N 1 1 268.317 -0.842 20 5 CBBDMO C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000854642085 583614136 /nfs/dbraw/zinc/61/41/36/583614136.db2.gz INQDIGKOUJSKNV-KXNHARMFSA-N 1 1 283.328 -0.027 20 5 CBBDMO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000854642085 583614137 /nfs/dbraw/zinc/61/41/37/583614137.db2.gz INQDIGKOUJSKNV-KXNHARMFSA-N 1 1 283.328 -0.027 20 5 CBBDMO C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000854642085 583614138 /nfs/dbraw/zinc/61/41/38/583614138.db2.gz INQDIGKOUJSKNV-KXNHARMFSA-N 1 1 283.328 -0.027 20 5 CBBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000861720315 583781280 /nfs/dbraw/zinc/78/12/80/583781280.db2.gz XVDNSIFNMFJXHP-LMLFDSFASA-N 1 1 269.301 -0.681 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861720315 583781282 /nfs/dbraw/zinc/78/12/82/583781282.db2.gz XVDNSIFNMFJXHP-LMLFDSFASA-N 1 1 269.301 -0.681 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000861720315 583781285 /nfs/dbraw/zinc/78/12/85/583781285.db2.gz XVDNSIFNMFJXHP-LMLFDSFASA-N 1 1 269.301 -0.681 20 5 CBBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000862649378 583814027 /nfs/dbraw/zinc/81/40/27/583814027.db2.gz XXVYKCMCTILMGV-KXUCPTDWSA-N 1 1 284.316 -0.892 20 5 CBBDMO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000862649378 583814028 /nfs/dbraw/zinc/81/40/28/583814028.db2.gz XXVYKCMCTILMGV-KXUCPTDWSA-N 1 1 284.316 -0.892 20 5 CBBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000862649378 583814030 /nfs/dbraw/zinc/81/40/30/583814030.db2.gz XXVYKCMCTILMGV-KXUCPTDWSA-N 1 1 284.316 -0.892 20 5 CBBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000863319726 583837464 /nfs/dbraw/zinc/83/74/64/583837464.db2.gz FGBUOEXPMTVGOH-SECBINFHSA-N 1 1 295.299 -0.632 20 5 CBBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000863321518 583837988 /nfs/dbraw/zinc/83/79/88/583837988.db2.gz YINWSPCGXAWFRB-SNVBAGLBSA-N 1 1 294.311 -0.027 20 5 CBBDMO C[N@H+]1C[C@@H]2CN(C(=O)Cn3cnc([N+](=O)[O-])n3)C[C@]2(C)C1 ZINC000887935453 584478296 /nfs/dbraw/zinc/47/82/96/584478296.db2.gz XVNDAVQDMPPQBO-SKDRFNHKSA-N 1 1 294.315 -0.404 20 5 CBBDMO CCOC(=O)[C@@H]1C[N@H+](CC[N+](=O)[O-])CC12COC2 ZINC000930599808 659309410 /nfs/dbraw/zinc/30/94/10/659309410.db2.gz ZJMWGEVCXHZWFJ-VIFPVBQESA-N 1 1 258.274 -0.225 20 5 CBBDMO CCOC(=O)[C@@H]1C[N@@H+](CC[N+](=O)[O-])CC12COC2 ZINC000930599808 659309415 /nfs/dbraw/zinc/30/94/15/659309415.db2.gz ZJMWGEVCXHZWFJ-VIFPVBQESA-N 1 1 258.274 -0.225 20 5 CBBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNCC[N+](=O)[O-] ZINC000905088716 656337014 /nfs/dbraw/zinc/33/70/14/656337014.db2.gz KJSPOPYOVWJQSP-NSHDSACASA-N 1 1 272.349 -0.205 20 5 CBBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNCC[N+](=O)[O-] ZINC000905088711 656337111 /nfs/dbraw/zinc/33/71/11/656337111.db2.gz KJSPOPYOVWJQSP-LLVKDONJSA-N 1 1 272.349 -0.205 20 5 CBBDMO C[N@@H+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@H]1CO ZINC000913542037 657503906 /nfs/dbraw/zinc/50/39/06/657503906.db2.gz AWDRUAFWIKSIKB-JTQLQIEISA-N 1 1 273.333 -0.043 20 5 CBBDMO C[N@H+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@H]1CO ZINC000913542037 657503919 /nfs/dbraw/zinc/50/39/19/657503919.db2.gz AWDRUAFWIKSIKB-JTQLQIEISA-N 1 1 273.333 -0.043 20 5 CBBDMO Cn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001020139178 658017026 /nfs/dbraw/zinc/01/70/26/658017026.db2.gz VGCTZQGIWWRBCS-YJFSRANCSA-N 1 1 294.315 -0.783 20 5 CBBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2cnns2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020140026 658017338 /nfs/dbraw/zinc/01/73/38/658017338.db2.gz VBSFHCZTAZWXAO-KHUVANEUSA-N 1 1 297.340 -0.060 20 5 CBBDMO C[N@H+]1CC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000928567520 659048509 /nfs/dbraw/zinc/04/85/09/659048509.db2.gz QBBKNRPBJOXJFC-MRVPVSSYSA-N 1 1 253.262 -0.388 20 5 CBBDMO CCN1C(=O)[C@H]2C[N@H+](CC[N+](=O)[O-])CCN2C1=O ZINC000929809477 659176818 /nfs/dbraw/zinc/17/68/18/659176818.db2.gz KSZWMAABWJTQFU-MRVPVSSYSA-N 1 1 256.262 -0.769 20 5 CBBDMO CCN1C(=O)[C@H]2C[N@@H+](CC[N+](=O)[O-])CCN2C1=O ZINC000929809477 659176820 /nfs/dbraw/zinc/17/68/20/659176820.db2.gz KSZWMAABWJTQFU-MRVPVSSYSA-N 1 1 256.262 -0.769 20 5 CBBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(CC[N+](=O)[O-])CC1 ZINC000929847612 659181907 /nfs/dbraw/zinc/18/19/07/659181907.db2.gz XXJQFZNLHBMORU-LLVKDONJSA-N 1 1 270.333 -0.499 20 5 CBBDMO C[C@]12CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]1(C)C[N@@H+](CCO)C2 ZINC000982278875 659343335 /nfs/dbraw/zinc/34/33/35/659343335.db2.gz USONYCHUGHLZME-OXHZDVMGSA-N 1 1 297.355 -0.186 20 5 CBBDMO C[C@]12CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]1(C)C[N@H+](CCO)C2 ZINC000982278875 659343340 /nfs/dbraw/zinc/34/33/40/659343340.db2.gz USONYCHUGHLZME-OXHZDVMGSA-N 1 1 297.355 -0.186 20 5 CBBDMO C[C@]12CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]1(C)C[N@@H+](CCO)C2 ZINC000982278875 659343347 /nfs/dbraw/zinc/34/33/47/659343347.db2.gz USONYCHUGHLZME-OXHZDVMGSA-N 1 1 297.355 -0.186 20 5 CBBDMO C[N@H+]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1CO ZINC000931404433 659453811 /nfs/dbraw/zinc/45/38/11/659453811.db2.gz ZDEWHSUTSYTFIR-LLVKDONJSA-N 1 1 269.305 -0.600 20 5 CBBDMO Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CC[N+](=O)[O-])cn1 ZINC000931426129 659459707 /nfs/dbraw/zinc/45/97/07/659459707.db2.gz KWYLQZOVHNSOKW-NSHDSACASA-N 1 1 281.316 -0.109 20 5 CBBDMO Cn1cc(C(=O)NC[C@@H]2CCC[N@H+]2CC[N+](=O)[O-])cn1 ZINC000931426129 659459710 /nfs/dbraw/zinc/45/97/10/659459710.db2.gz KWYLQZOVHNSOKW-NSHDSACASA-N 1 1 281.316 -0.109 20 5 CBBDMO C[N@H+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1CO ZINC000828724128 790890967 /nfs/dbraw/zinc/89/09/67/790890967.db2.gz FHOMOAMISCFTQT-LBPRGKRZSA-N 1 1 296.327 -0.635 20 5 CBBDMO Cn1nccc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001022063765 790987665 /nfs/dbraw/zinc/98/76/65/790987665.db2.gz LVFASTPXVUTQAU-RBLKWDMZSA-N 1 1 293.327 -0.178 20 5 CBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)C(F)F ZINC001122372575 813154143 /nfs/dbraw/zinc/15/41/43/813154143.db2.gz LXEVQKGRMQKZGZ-UHFFFAOYSA-N 1 1 277.231 -0.201 20 5 CBBDMO Cc1n[nH]c(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC001321717857 803805329 /nfs/dbraw/zinc/80/53/29/803805329.db2.gz HIKGMOIRUNNGAD-SECBINFHSA-N 1 1 296.331 -0.398 20 5 CBBDMO Cc1n[nH]c(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-] ZINC001321717857 803805337 /nfs/dbraw/zinc/80/53/37/803805337.db2.gz HIKGMOIRUNNGAD-SECBINFHSA-N 1 1 296.331 -0.398 20 5 CBBDMO C[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C1=CC[N@@H+](C)CC1 ZINC001323620425 804050939 /nfs/dbraw/zinc/05/09/39/804050939.db2.gz DIKIFRIFHOBTIU-SECBINFHSA-N 1 1 294.315 -0.047 20 5 CBBDMO C[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1C[N@H+](C)CCO1 ZINC001324126387 804110414 /nfs/dbraw/zinc/11/04/14/804110414.db2.gz BKPCXDMXHBZYDM-BDAKNGLRSA-N 1 1 298.303 -0.978 20 5 CBBDMO C[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1C[N@@H+](C)CCO1 ZINC001324126387 804110421 /nfs/dbraw/zinc/11/04/21/804110421.db2.gz BKPCXDMXHBZYDM-BDAKNGLRSA-N 1 1 298.303 -0.978 20 5 CBBDMO O=C(c1cc([N+](=O)[O-])n[nH]1)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001153780319 815177022 /nfs/dbraw/zinc/17/70/22/815177022.db2.gz GZGRCPXKSCNAJO-DTWKUNHWSA-N 1 1 295.299 -0.401 20 5 CBBDMO COCCOCC[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157767718 815462769 /nfs/dbraw/zinc/46/27/69/815462769.db2.gz SCKDCEIGYNWNMO-GHMZBOCLSA-N 1 1 289.332 -0.590 20 5 CBBDMO Cc1nn(C)cc1C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157766963 815462914 /nfs/dbraw/zinc/46/29/14/815462914.db2.gz CIMQYEFCTSMUKY-VXGBXAGGSA-N 1 1 295.343 -0.010 20 5 CBBDMO C[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC001158256298 815516954 /nfs/dbraw/zinc/51/69/54/815516954.db2.gz INEBSJSOHGSTOP-DTORHVGOSA-N 1 1 297.315 -0.155 20 5 CBBDMO C[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC001158256298 815516957 /nfs/dbraw/zinc/51/69/57/815516957.db2.gz INEBSJSOHGSTOP-DTORHVGOSA-N 1 1 297.315 -0.155 20 5 CBBDMO C[NH+](C)/C=C/c1cc(N[C@H](CO)C(N)=O)ncc1[N+](=O)[O-] ZINC001158444673 815533781 /nfs/dbraw/zinc/53/37/81/815533781.db2.gz VBAJZRQHEFFRRE-CDAZIORVSA-N 1 1 295.299 -0.220 20 5 CBBDMO O=[N+]([O-])c1cnc(NC[C@@H]2COCCN2)nc1C1C[NH2+]C1 ZINC001159049194 815557505 /nfs/dbraw/zinc/55/75/05/815557505.db2.gz KEHNLLZUDXPVIX-SECBINFHSA-N 1 1 294.315 -0.528 20 5 CBBDMO Cn1c(C[N+](=O)[O-])nnc1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001121299604 813061451 /nfs/dbraw/zinc/06/14/51/813061451.db2.gz PVIGQSHTTVQJMG-SKDRFNHKSA-N 1 1 280.332 -0.020 20 5 CBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1cocn1 ZINC001124777944 813479801 /nfs/dbraw/zinc/47/98/01/813479801.db2.gz ICZCILMXDFUFDG-UHFFFAOYSA-N 1 1 294.271 -0.164 20 5 CBBDMO CCn1cc(CC[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001126936837 813697277 /nfs/dbraw/zinc/69/72/77/813697277.db2.gz UBOBCDKANFSWNU-VXGBXAGGSA-N 1 1 295.343 -0.184 20 5 CBBDMO CC(C)OCC[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126942473 813697761 /nfs/dbraw/zinc/69/77/61/813697761.db2.gz AJPAOLOXNSDSPV-NXEZZACHSA-N 1 1 259.306 -0.218 20 5 CBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1cnon1 ZINC001135573730 814494387 /nfs/dbraw/zinc/49/43/87/814494387.db2.gz QCTYPUWYNSVWDJ-UHFFFAOYSA-N 1 1 295.259 -0.769 20 5 CBBDMO C[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC001147350948 814889523 /nfs/dbraw/zinc/88/95/23/814889523.db2.gz DQDCNLOLHVOGJJ-WCBMZHEXSA-N 1 1 296.331 -0.318 20 5 CBBDMO CC[C@]([NH3+])(CO)Nc1ncnc(OC)c1[N+](=O)[O-] ZINC001159744716 815592201 /nfs/dbraw/zinc/59/22/01/815592201.db2.gz ZPAFKCHCNUDVTD-SECBINFHSA-N 1 1 257.250 -0.137 20 5 CBBDMO O=C1C[NH2+]CCN1CCNc1cccc([N+](=O)[O-])n1 ZINC001161018924 815696800 /nfs/dbraw/zinc/69/68/00/815696800.db2.gz HDPQVYWSKMSJPH-UHFFFAOYSA-N 1 1 265.273 -0.167 20 5 CBBDMO O=C1C[NH2+]CCN1CCNc1cc([N+](=O)[O-])ccn1 ZINC001161019656 815698059 /nfs/dbraw/zinc/69/80/59/815698059.db2.gz PYAYKMKJYKODEL-UHFFFAOYSA-N 1 1 265.273 -0.167 20 5 CBBDMO O=C1C[NH2+]CCN1CCNc1ncc(F)cc1[N+](=O)[O-] ZINC001161019741 815698666 /nfs/dbraw/zinc/69/86/66/815698666.db2.gz UTCAMZFAEMHJLF-UHFFFAOYSA-N 1 1 283.263 -0.027 20 5 CBBDMO [NH3+][C@@H]1NCN(c2cc([N+](=O)[O-])cc(Cl)n2)[C@@H]2NCN[C@@H]21 ZINC001162436689 815817113 /nfs/dbraw/zinc/81/71/13/815817113.db2.gz OWGMYJKEQHUAMN-BBBLOLIVSA-N 1 1 299.722 -0.860 20 5 CBBDMO C[N@H+]1CC[C@@H]2CN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC001307785596 816809261 /nfs/dbraw/zinc/80/92/61/816809261.db2.gz NTADODPSEDVCMC-RTXFEEFZSA-N 1 1 295.343 -0.212 20 5 CBBDMO CN1CC[C@@H]2C[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC001307785596 816809268 /nfs/dbraw/zinc/80/92/68/816809268.db2.gz NTADODPSEDVCMC-RTXFEEFZSA-N 1 1 295.343 -0.212 20 5 CBBDMO CN1CC[C@@H]2C[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC001307785596 816809276 /nfs/dbraw/zinc/80/92/76/816809276.db2.gz NTADODPSEDVCMC-RTXFEEFZSA-N 1 1 295.343 -0.212 20 5 CBBDMO NC(=O)c1cn(C2CC[NH+](CC[N+](=O)[O-])CC2)nn1 ZINC001307936721 816816350 /nfs/dbraw/zinc/81/63/50/816816350.db2.gz PGRJABDLXJPXGU-UHFFFAOYSA-N 1 1 268.277 -0.709 20 5 CBBDMO CC[N@H+]1CC[C@@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC001318350559 817101609 /nfs/dbraw/zinc/10/16/09/817101609.db2.gz HDODYJPGRREFOZ-VIFPVBQESA-N 1 1 282.304 -0.356 20 5 CBBDMO C[N@@H+]1CC=C(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001319828350 817245351 /nfs/dbraw/zinc/24/53/51/817245351.db2.gz KCZIITWBMHKVLP-UHFFFAOYSA-N 1 1 280.288 -0.436 20 5 CBBDMO Cn1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCCOCC2)n1 ZINC001320587369 817359320 /nfs/dbraw/zinc/35/93/20/817359320.db2.gz WUGJQWTZMJNTMF-UHFFFAOYSA-N 1 1 297.315 -0.220 20 5 CBBDMO Cn1cc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCCOCC2)n1 ZINC001320587369 817359328 /nfs/dbraw/zinc/35/93/28/817359328.db2.gz WUGJQWTZMJNTMF-UHFFFAOYSA-N 1 1 297.315 -0.220 20 5 CBBDMO O=C(NCCC1(C[NH2+]CCO)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001164494408 819916410 /nfs/dbraw/zinc/91/64/10/819916410.db2.gz IUDIXSUKQMPOCV-NXEZZACHSA-N 1 1 271.317 -0.480 20 5 CBBDMO NC(=O)c1ccnc(-n2cnc(C[NH3+])n2)c1[N+](=O)[O-] ZINC001168754166 820174718 /nfs/dbraw/zinc/17/47/18/820174718.db2.gz PKBXMAZVKAQWLQ-UHFFFAOYSA-N 1 1 263.217 -0.872 20 5 CBBDMO NC(=O)[C@@H]1C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCO1 ZINC001169040201 820202313 /nfs/dbraw/zinc/20/23/13/820202313.db2.gz YRALAMBUAXGTTR-GUBZILKMSA-N 1 1 257.290 -0.382 20 5 CBBDMO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])CC(N)=O ZINC001169985599 820271915 /nfs/dbraw/zinc/27/19/15/820271915.db2.gz CGYXRJDAQCAKQV-UHFFFAOYSA-N 1 1 255.278 -0.093 20 5 CBBDMO CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])CC(N)=O ZINC001169985599 820271921 /nfs/dbraw/zinc/27/19/21/820271921.db2.gz CGYXRJDAQCAKQV-UHFFFAOYSA-N 1 1 255.278 -0.093 20 5 CBBDMO CC[C@]([NH3+])(CO)Nc1nc(OC)ncc1[N+](=O)[O-] ZINC001170859713 820329434 /nfs/dbraw/zinc/32/94/34/820329434.db2.gz QZLUNYXUSHOAGZ-SECBINFHSA-N 1 1 257.250 -0.137 20 5 CBBDMO Cc1c[n+]([O-])c(N[C@H](N)CCC[NH3+])cc1[N+](=O)[O-] ZINC001170899895 820335690 /nfs/dbraw/zinc/33/56/90/820335690.db2.gz YSBMJRDWANFTIM-VIFPVBQESA-N 1 1 255.278 -0.028 20 5 CBBDMO CC[NH+](CC)CC(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001283004613 828488637 /nfs/dbraw/zinc/48/86/37/828488637.db2.gz GVEUTTAVFHDMEG-NXEZZACHSA-N 1 1 286.332 -0.774 20 5 CBBDMO CCC[N@@H+](C)CC(=O)NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001283004586 828488768 /nfs/dbraw/zinc/48/87/68/828488768.db2.gz GHUAMORKTZVFTF-NXEZZACHSA-N 1 1 286.332 -0.774 20 5 CBBDMO CCC[N@H+](C)CC(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001283004586 828488771 /nfs/dbraw/zinc/48/87/71/828488771.db2.gz GHUAMORKTZVFTF-NXEZZACHSA-N 1 1 286.332 -0.774 20 5 CBBDMO CCC[N@@H+](C)CC(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001283004586 828488776 /nfs/dbraw/zinc/48/87/76/828488776.db2.gz GHUAMORKTZVFTF-NXEZZACHSA-N 1 1 286.332 -0.774 20 5 CBBDMO Cn1cc(C[N@@H+]2CCC[C@@H](CO)[C@H]2CO)c([N+](=O)[O-])n1 ZINC001196554760 824165173 /nfs/dbraw/zinc/16/51/73/824165173.db2.gz YKPKYYXXOFGUKZ-GXSJLCMTSA-N 1 1 284.316 -0.107 20 5 CBBDMO Cn1cc(C[N@H+]2CCC[C@@H](CO)[C@H]2CO)c([N+](=O)[O-])n1 ZINC001196554760 824165182 /nfs/dbraw/zinc/16/51/82/824165182.db2.gz YKPKYYXXOFGUKZ-GXSJLCMTSA-N 1 1 284.316 -0.107 20 5 CBBDMO COc1nc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc(=O)[nH]1 ZINC001227000848 825293731 /nfs/dbraw/zinc/29/37/31/825293731.db2.gz TZOCYUOTDVGKHT-MRVPVSSYSA-O 1 1 286.308 -0.447 20 5 CBBDMO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001253825851 825935313 /nfs/dbraw/zinc/93/53/13/825935313.db2.gz RGOZDGNWLPTURZ-VIFPVBQESA-N 1 1 296.331 -0.316 20 5 CBBDMO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001261818839 826587340 /nfs/dbraw/zinc/58/73/40/826587340.db2.gz JDFYHPIHNGKGGK-IUCAKERBSA-N 1 1 295.299 -0.401 20 5 CBBDMO C[NH+]1CCN(C(=O)CNc2ccncc2[N+](=O)[O-])CC1 ZINC001262353216 826682429 /nfs/dbraw/zinc/68/24/29/826682429.db2.gz MQSROIBIJWOHIU-UHFFFAOYSA-N 1 1 279.300 -0.402 20 5 CBBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC001341498544 889609572 /nfs/dbraw/zinc/60/95/72/889609572.db2.gz KUZDRZNXBMKGBL-SNVBAGLBSA-N 1 1 255.278 -0.316 20 5 CBBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC001341498544 889609575 /nfs/dbraw/zinc/60/95/75/889609575.db2.gz KUZDRZNXBMKGBL-SNVBAGLBSA-N 1 1 255.278 -0.316 20 5 CBBDMO O=C1[C@@H]([NH2+]CC[N+](=O)[O-])CCN1C1CCOCC1 ZINC001336134721 888702170 /nfs/dbraw/zinc/70/21/70/888702170.db2.gz CMLATWIODMEJAC-JTQLQIEISA-N 1 1 257.290 -0.367 20 5 CBBDMO Cn1c(C[N+](=O)[O-])nnc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001338059868 889111922 /nfs/dbraw/zinc/11/19/22/889111922.db2.gz MHKOWTDRCZSEGN-SNVBAGLBSA-N 1 1 296.331 -0.497 20 5 CBBDMO C[C@@H](c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C)[N+](=O)[O-] ZINC001338207303 889124680 /nfs/dbraw/zinc/12/46/80/889124680.db2.gz AHTXJCXBPIZFFV-UWVGGRQHSA-N 1 1 296.331 -0.326 20 5 CBBDMO C[C@@H](c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C)[N+](=O)[O-] ZINC001338207303 889124691 /nfs/dbraw/zinc/12/46/91/889124691.db2.gz AHTXJCXBPIZFFV-UWVGGRQHSA-N 1 1 296.331 -0.326 20 5 CBBDMO C[C@H](c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C)[N+](=O)[O-] ZINC001338207302 889125714 /nfs/dbraw/zinc/12/57/14/889125714.db2.gz AHTXJCXBPIZFFV-NXEZZACHSA-N 1 1 296.331 -0.326 20 5 CBBDMO C[C@H](c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C)[N+](=O)[O-] ZINC001338207302 889125719 /nfs/dbraw/zinc/12/57/19/889125719.db2.gz AHTXJCXBPIZFFV-NXEZZACHSA-N 1 1 296.331 -0.326 20 5 CBBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1c[nH]nc1[N+](=O)[O-] ZINC001340015689 889366899 /nfs/dbraw/zinc/36/68/99/889366899.db2.gz FBYNRPMZSNOYTI-DTWKUNHWSA-N 1 1 295.299 -0.089 20 5 CBBDMO Cc1nc(N2CC[N@@H+](C)C[C@H]2CO)ncc1[N+](=O)[O-] ZINC001348850224 890713515 /nfs/dbraw/zinc/71/35/15/890713515.db2.gz JAWFCCITDTZTQO-VIFPVBQESA-N 1 1 267.289 -0.194 20 5 CBBDMO Cc1nc(N2CC[N@H+](C)C[C@H]2CO)ncc1[N+](=O)[O-] ZINC001348850224 890713527 /nfs/dbraw/zinc/71/35/27/890713527.db2.gz JAWFCCITDTZTQO-VIFPVBQESA-N 1 1 267.289 -0.194 20 5 CBBDMO C[NH+](C)C[C@@]1(O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001348964917 890737103 /nfs/dbraw/zinc/73/71/03/890737103.db2.gz HQTJCTQGZKKNDD-KKZNHRDASA-N 1 1 257.290 -0.823 20 5 CBBDMO NC(=O)[C@H](CO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001349319590 890794977 /nfs/dbraw/zinc/79/49/77/890794977.db2.gz OTKVMNBICHQMKG-UWVGGRQHSA-N 1 1 269.257 -0.936 20 5 CBBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC001350999879 891087496 /nfs/dbraw/zinc/08/74/96/891087496.db2.gz FQKHZQJXLNGVTI-ZETCQYMHSA-N 1 1 253.262 -0.238 20 5 CBBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@H+]1C ZINC001350999879 891087507 /nfs/dbraw/zinc/08/75/07/891087507.db2.gz FQKHZQJXLNGVTI-ZETCQYMHSA-N 1 1 253.262 -0.238 20 5 CBBDMO C[NH+](C)CCC(=O)NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001357808282 891937301 /nfs/dbraw/zinc/93/73/01/891937301.db2.gz JVKOHCYZLIATMR-ANDSXOESSA-N 1 1 298.343 -0.608 20 5 CBBDMO CC(C)(CCC(=O)NC[C@]1(CO)COCC[NH2+]1)[N+](=O)[O-] ZINC001454777346 914259140 /nfs/dbraw/zinc/25/91/40/914259140.db2.gz JEDWULJCTJWPHH-LBPRGKRZSA-N 1 1 289.332 -0.711 20 5 CBBDMO O=[N+]([O-])c1ccn(CC[NH+]2CCN(c3nc[nH]n3)CC2)n1 ZINC001460312805 914785772 /nfs/dbraw/zinc/78/57/72/914785772.db2.gz ANQPTFUZFTVWCS-UHFFFAOYSA-N 1 1 292.303 -0.268 20 5 CBBDMO O=C(NC[C@@]1(CO)COCC[NH2+]1)c1ccc([N+](=O)[O-])[nH]1 ZINC001471178298 915561757 /nfs/dbraw/zinc/56/17/57/915561757.db2.gz NVJITDIWHSGMPX-LLVKDONJSA-N 1 1 284.272 -0.996 20 5 CBBDMO O=c1cc([C@@H]2CC[N@@H+](CC[N+](=O)[O-])C2)[nH]c(=O)[nH]1 ZINC001473602433 915844195 /nfs/dbraw/zinc/84/41/95/915844195.db2.gz QMKRPRLTFSCUBB-SSDOTTSWSA-N 1 1 254.246 -0.046 20 5 CBBDMO O=c1cc([C@@H]2CC[N@H+](CC[N+](=O)[O-])C2)[nH]c(=O)[nH]1 ZINC001473602433 915844209 /nfs/dbraw/zinc/84/42/09/915844209.db2.gz QMKRPRLTFSCUBB-SSDOTTSWSA-N 1 1 254.246 -0.046 20 5 CBBDMO C[C@@H]1CC[C@H](O)C[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001473744991 915855696 /nfs/dbraw/zinc/85/56/96/915855696.db2.gz GUZLEQVTWZYVGV-ADEWGFFLSA-N 1 1 284.316 -0.003 20 5 CBBDMO O=[N+]([O-])c1ccn(CC[N@H+]2C[C@H](CO)[C@@H](CCO)C2)n1 ZINC001473894440 915876641 /nfs/dbraw/zinc/87/66/41/915876641.db2.gz XVNRYOPLHSHSJB-WDEREUQCSA-N 1 1 284.316 -0.286 20 5 CBBDMO O=C(C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)NC1CC1 ZINC001480203799 916330739 /nfs/dbraw/zinc/33/07/39/916330739.db2.gz VFWAAINYDOYUER-LMLFDSFASA-N 1 1 296.327 -0.833 20 5 CBBDMO O=C(NC/C=C/C[NH2+]CCCO)[C@@H]1CC1[N+](=O)[O-] ZINC001483006978 917375059 /nfs/dbraw/zinc/37/50/59/917375059.db2.gz CBXPRNWDVNXLPI-UFLMBTITSA-N 1 1 257.290 -0.704 20 5 CBBDMO COCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001488729936 918762162 /nfs/dbraw/zinc/76/21/62/918762162.db2.gz LQUMSUPAPSHEOR-LMLFDSFASA-N 1 1 271.317 -0.218 20 5 CBBDMO Cn1cc([N+](=O)[O-])c(NCC[N@H+]2CC[C@H](O)C2)n1 ZINC001559250101 924217040 /nfs/dbraw/zinc/21/70/40/924217040.db2.gz SZDVQZQKFSQQGH-QMMMGPOBSA-N 1 1 255.278 -0.193 20 5 CBBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1COC[C@@H]1O ZINC000352795687 529939782 /nfs/dbraw/zinc/93/97/82/529939782.db2.gz UAQZAFHYQQSVJK-BDAKNGLRSA-N 1 1 256.262 -0.517 20 5 CBBDMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000351825063 219217775 /nfs/dbraw/zinc/21/77/75/219217775.db2.gz GEPLPEUTNHKZGH-IEBDPFPHSA-N 1 1 270.289 -0.535 20 5 CBBDMO C[C@H](O)C[N@@H+](CCO)CCn1cc([N+](=O)[O-])cn1 ZINC000351939902 219256472 /nfs/dbraw/zinc/25/64/72/219256472.db2.gz XQZRSNRPWBOMDF-VIFPVBQESA-N 1 1 258.278 -0.534 20 5 CBBDMO NC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[NH2+]1 ZINC000014300855 351340854 /nfs/dbraw/zinc/34/08/54/351340854.db2.gz HJRNKNFQCYUUSJ-QMMMGPOBSA-N 1 1 295.255 -0.234 20 5 CBBDMO C[NH+](C)CCN1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000077455519 351680933 /nfs/dbraw/zinc/68/09/33/351680933.db2.gz SCUCLBZRTLYFPD-RYUDHWBXSA-N 1 1 284.360 -0.253 20 5 CBBDMO NC(=O)[C@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075618502 351668432 /nfs/dbraw/zinc/66/84/32/351668432.db2.gz JOPJPZIPFSHDCK-VHSXEESVSA-N 1 1 283.288 -0.898 20 5 CBBDMO Nc1nc(N2CC[NH+](CCCO)CC2)ncc1[N+](=O)[O-] ZINC000076269532 351676339 /nfs/dbraw/zinc/67/63/39/351676339.db2.gz FPNXAZUBDJTWEE-UHFFFAOYSA-N 1 1 282.304 -0.529 20 5 CBBDMO CNC(=O)[C@@H](C)C[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000081580081 351709375 /nfs/dbraw/zinc/70/93/75/351709375.db2.gz QQBJQCRHYZULCL-ONGXEEELSA-N 1 1 299.331 -0.534 20 5 CBBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH2+]CC2)nc1 ZINC000095091930 351767730 /nfs/dbraw/zinc/76/77/30/351767730.db2.gz VVVHCQNRXJOHQH-UHFFFAOYSA-N 1 1 272.286 -0.416 20 5 CBBDMO C[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)[C@H]1C[N@H+](C)CCO1 ZINC000119054084 351831302 /nfs/dbraw/zinc/83/13/02/351831302.db2.gz HVGQNISZXNUILD-NXEZZACHSA-N 1 1 297.315 -0.373 20 5 CBBDMO C[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)[C@H]1C[N@@H+](C)CCO1 ZINC000119054084 351831303 /nfs/dbraw/zinc/83/13/03/351831303.db2.gz HVGQNISZXNUILD-NXEZZACHSA-N 1 1 297.315 -0.373 20 5 CBBDMO C[N@@H+]1CCO[C@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000129969943 351875810 /nfs/dbraw/zinc/87/58/10/351875810.db2.gz AHNHKCDERZMTKT-JTQLQIEISA-N 1 1 283.288 -0.762 20 5 CBBDMO C[N@H+]1CCO[C@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000129969943 351875812 /nfs/dbraw/zinc/87/58/12/351875812.db2.gz AHNHKCDERZMTKT-JTQLQIEISA-N 1 1 283.288 -0.762 20 5 CBBDMO CC(C)(C)[N@H+](CC(N)=O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000131147315 351884076 /nfs/dbraw/zinc/88/40/76/351884076.db2.gz FSTVDSIGOJNMFS-JTQLQIEISA-N 1 1 299.331 -0.262 20 5 CBBDMO NC(=O)[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176231503 352063705 /nfs/dbraw/zinc/06/37/05/352063705.db2.gz BQYFXURMNYJGAA-QMMMGPOBSA-N 1 1 253.262 -0.259 20 5 CBBDMO NC(=O)[C@@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176231503 352063707 /nfs/dbraw/zinc/06/37/07/352063707.db2.gz BQYFXURMNYJGAA-QMMMGPOBSA-N 1 1 253.262 -0.259 20 5 CBBDMO C[N@H+]1CC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000171768762 352016697 /nfs/dbraw/zinc/01/66/97/352016697.db2.gz NDEYDMZAXDBXPW-VIFPVBQESA-N 1 1 267.289 -0.141 20 5 CBBDMO CCC[N@H+](CC(=O)NC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173556348 352038910 /nfs/dbraw/zinc/03/89/10/352038910.db2.gz GQEBADFMFMINHS-LLVKDONJSA-N 1 1 299.331 -0.390 20 5 CBBDMO C[C@H](O)C[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173799694 352040858 /nfs/dbraw/zinc/04/08/58/352040858.db2.gz NTJYTNGCEUJWMW-WPRPVWTQSA-N 1 1 258.278 -0.535 20 5 CBBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC1(CO)CC1 ZINC000186789077 352131084 /nfs/dbraw/zinc/13/10/84/352131084.db2.gz FIRCCRBIJTXUSK-NSHDSACASA-N 1 1 284.316 -0.144 20 5 CBBDMO [NH3+]CC(F)(F)CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000190248221 352179054 /nfs/dbraw/zinc/17/90/54/352179054.db2.gz HYTSLFKHJLITNV-UHFFFAOYSA-N 1 1 290.226 -0.533 20 5 CBBDMO NC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247475089 352347024 /nfs/dbraw/zinc/34/70/24/352347024.db2.gz JOPJPZIPFSHDCK-UWVGGRQHSA-N 1 1 283.288 -0.898 20 5 CBBDMO C[C@@H]1C(=O)NCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000249071289 352361404 /nfs/dbraw/zinc/36/14/04/352361404.db2.gz RBPBYAPPYNFTEC-MWLCHTKSSA-N 1 1 297.315 -0.637 20 5 CBBDMO C[C@@H]1C(=O)NCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000249071289 352361406 /nfs/dbraw/zinc/36/14/06/352361406.db2.gz RBPBYAPPYNFTEC-MWLCHTKSSA-N 1 1 297.315 -0.637 20 5 CBBDMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@H]1O ZINC000249602983 352369962 /nfs/dbraw/zinc/36/99/62/352369962.db2.gz YWLVQTFFFGLTPC-YUSALJHKSA-N 1 1 284.316 -0.145 20 5 CBBDMO C[C@@H](O)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H](C)CO ZINC000248885715 352357492 /nfs/dbraw/zinc/35/74/92/352357492.db2.gz DXRGRXIZCHQSOF-GHMZBOCLSA-N 1 1 299.327 -0.180 20 5 CBBDMO C[N@@H+](CCOCCO)CCn1ccc([N+](=O)[O-])n1 ZINC000282250314 352602089 /nfs/dbraw/zinc/60/20/89/352602089.db2.gz BZLPQSNEJNSPLH-UHFFFAOYSA-N 1 1 258.278 -0.268 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCN(C3CC3)CC2)c1 ZINC000304320093 352746133 /nfs/dbraw/zinc/74/61/33/352746133.db2.gz QDUXAPYDCPIJIA-ZDUSSCGKSA-N 1 1 295.343 -0.068 20 5 CBBDMO C[N@H+](C[C@H](O)C1CC1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304788101 352747665 /nfs/dbraw/zinc/74/76/65/352747665.db2.gz QBJUAQXSWKBRAO-RYUDHWBXSA-N 1 1 284.316 -0.145 20 5 CBBDMO NC(=O)N[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000330517125 352837832 /nfs/dbraw/zinc/83/78/32/352837832.db2.gz IWJXTHBJGIPYGO-MRVPVSSYSA-N 1 1 268.277 -0.052 20 5 CBBDMO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000331274964 352898958 /nfs/dbraw/zinc/89/89/58/352898958.db2.gz PXINDFVFSSVFCG-IONNQARKSA-N 1 1 267.289 -0.058 20 5 CBBDMO CC(C)(O)C[NH+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000153193854 188071001 /nfs/dbraw/zinc/07/10/01/188071001.db2.gz KJPNHKJGIJWGLI-UHFFFAOYSA-N 1 1 297.315 -0.153 20 5 CBBDMO NC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[NH2+]1 ZINC000343347928 353269318 /nfs/dbraw/zinc/26/93/18/353269318.db2.gz WKZLUTJPXNBQHJ-QMMMGPOBSA-N 1 1 251.246 -0.747 20 5 CBBDMO C[NH+](C)C1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000345308960 353322697 /nfs/dbraw/zinc/32/26/97/353322697.db2.gz UXHXIJSEZHSDGL-UHFFFAOYSA-N 1 1 280.284 -0.471 20 5 CBBDMO C[N@H+](CCC(N)=O)CCn1cc([N+](=O)[O-])ccc1=O ZINC000353193938 353527021 /nfs/dbraw/zinc/52/70/21/353527021.db2.gz CPTLPPAIKMTYHS-UHFFFAOYSA-N 1 1 268.273 -0.436 20 5 CBBDMO CCc1n[nH]c(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000358428516 353644127 /nfs/dbraw/zinc/64/41/27/353644127.db2.gz WRLBPSWOQCUIKK-LBPRGKRZSA-N 1 1 297.315 -0.323 20 5 CBBDMO C[C@H]1CC(=O)NCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000375844327 353768192 /nfs/dbraw/zinc/76/81/92/353768192.db2.gz VGJXQIKPKVDCND-ONGXEEELSA-N 1 1 297.315 -0.637 20 5 CBBDMO C[N@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C(C)(C)C1 ZINC000408050220 353838332 /nfs/dbraw/zinc/83/83/32/353838332.db2.gz IMINDSCVVKUAHY-UHFFFAOYSA-N 1 1 282.304 -0.261 20 5 CBBDMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000408152497 353859615 /nfs/dbraw/zinc/85/96/15/353859615.db2.gz AUQNKKYGDPQHIY-VHSXEESVSA-N 1 1 294.315 -0.119 20 5 CBBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000408112609 353851815 /nfs/dbraw/zinc/85/18/15/353851815.db2.gz MPCXWAUDEHUZMT-SECBINFHSA-N 1 1 267.289 -0.046 20 5 CBBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000408112609 353851817 /nfs/dbraw/zinc/85/18/17/353851817.db2.gz MPCXWAUDEHUZMT-SECBINFHSA-N 1 1 267.289 -0.046 20 5 CBBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H](C)[N@H+]1CCO ZINC000456238214 354362308 /nfs/dbraw/zinc/36/23/08/354362308.db2.gz JENCSNGHYBZVES-DTORHVGOSA-N 1 1 297.315 -0.155 20 5 CBBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H](C)[N@@H+]1CCO ZINC000456238214 354362311 /nfs/dbraw/zinc/36/23/11/354362311.db2.gz JENCSNGHYBZVES-DTORHVGOSA-N 1 1 297.315 -0.155 20 5 CBBDMO C[C@@H]1[C@H](CO)CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000488810946 354427749 /nfs/dbraw/zinc/42/77/49/354427749.db2.gz WUCCSYUSPSLFCE-SCVCMEIPSA-N 1 1 284.316 -0.145 20 5 CBBDMO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CC[NH2+]CC1 ZINC000570449492 354862237 /nfs/dbraw/zinc/86/22/37/354862237.db2.gz IMTVKUOTIDIVDT-UHFFFAOYSA-N 1 1 272.286 -0.416 20 5 CBBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](CO)[C@H](O)C2)n1 ZINC000578466857 354946773 /nfs/dbraw/zinc/94/67/73/354946773.db2.gz UTZNJPLECJCDRB-VHSXEESVSA-N 1 1 270.289 -0.534 20 5 CBBDMO CN1C[C@H]2[C@@H](CC[N@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000590010462 355072427 /nfs/dbraw/zinc/07/24/27/355072427.db2.gz IUZBDAOGKHMKIG-DRZSPHRISA-N 1 1 295.343 -0.212 20 5 CBBDMO C[N@H+]1C[C@H]2[C@@H](CCN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000590010462 355072431 /nfs/dbraw/zinc/07/24/31/355072431.db2.gz IUZBDAOGKHMKIG-DRZSPHRISA-N 1 1 295.343 -0.212 20 5 CBBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000590010462 355072435 /nfs/dbraw/zinc/07/24/35/355072435.db2.gz IUZBDAOGKHMKIG-DRZSPHRISA-N 1 1 295.343 -0.212 20 5 CBBDMO C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)[C@@H]2C1 ZINC000590445759 355080955 /nfs/dbraw/zinc/08/09/55/355080955.db2.gz RPAWIOGWPCVYJC-DTWKUNHWSA-N 1 1 280.288 -0.651 20 5 CBBDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000592198819 355140205 /nfs/dbraw/zinc/14/02/05/355140205.db2.gz OYKQFOSXJUGEKQ-NXEZZACHSA-N 1 1 298.299 -0.353 20 5 CBBDMO COC(=O)[C@H]1C[C@H](O)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000592198820 355140385 /nfs/dbraw/zinc/14/03/85/355140385.db2.gz OYKQFOSXJUGEKQ-UWVGGRQHSA-N 1 1 298.299 -0.353 20 5 CBBDMO COC[C@@H]1C[C@@H](O)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000593060990 355191837 /nfs/dbraw/zinc/19/18/37/355191837.db2.gz MJPLBPZSCVIXBW-GXSJLCMTSA-N 1 1 270.289 -0.127 20 5 CBBDMO COC[C@H]1C[C@@H](O)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000593067056 355191945 /nfs/dbraw/zinc/19/19/45/355191945.db2.gz SLWRDLKAOZRQJO-NXEZZACHSA-N 1 1 270.289 -0.127 20 5 CBBDMO C[C@H](CCO)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000593107866 355195441 /nfs/dbraw/zinc/19/54/41/355195441.db2.gz PFUUHQFJONCYSC-MWLCHTKSSA-N 1 1 272.305 -0.145 20 5 CBBDMO C[C@@H](O)[C@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595765589 355305359 /nfs/dbraw/zinc/30/53/59/355305359.db2.gz JQRKEAHDYVJREI-ADEWGFFLSA-N 1 1 284.316 -0.003 20 5 CBBDMO NC(=O)[C@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])CC[NH2+]1 ZINC000596064916 355340105 /nfs/dbraw/zinc/34/01/05/355340105.db2.gz CVKRHCKLCQCMQQ-SSDOTTSWSA-N 1 1 285.691 -0.093 20 5 CBBDMO Cc1n[nH]c(C(=O)N2CCOC3(C[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000596099892 355344051 /nfs/dbraw/zinc/34/40/51/355344051.db2.gz ZRFINFSXQKOYRQ-UHFFFAOYSA-N 1 1 281.272 -0.559 20 5 CBBDMO CN(CCC[NH+](C)C)CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000597989291 355426002 /nfs/dbraw/zinc/42/60/02/355426002.db2.gz BVLUJTAXOZGJDQ-UHFFFAOYSA-N 1 1 298.347 -0.069 20 5 CBBDMO Cn1c(C(=O)NCC[N@H+]2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000600531871 355556947 /nfs/dbraw/zinc/55/69/47/355556947.db2.gz MYXUJEDEOZNRBJ-SECBINFHSA-N 1 1 282.300 -0.270 20 5 CBBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H]1CCNC1=O ZINC000602797360 355672038 /nfs/dbraw/zinc/67/20/38/355672038.db2.gz VODZYXWRNJLIDI-SECBINFHSA-N 1 1 267.289 -0.080 20 5 CBBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H]1CCNC1=O ZINC000602797360 355672041 /nfs/dbraw/zinc/67/20/41/355672041.db2.gz VODZYXWRNJLIDI-SECBINFHSA-N 1 1 267.289 -0.080 20 5 CBBDMO COCC[N@@H+](C)C[C@H](O)Cn1ccnc1[N+](=O)[O-] ZINC000601966315 355622745 /nfs/dbraw/zinc/62/27/45/355622745.db2.gz ZFMMKLDKFPKXCQ-VIFPVBQESA-N 1 1 258.278 -0.270 20 5 CBBDMO Cn1cnc([N+](=O)[O-])c1N1CC[N@H+](C)C[C@@H]1CO ZINC000601980402 355625194 /nfs/dbraw/zinc/62/51/94/355625194.db2.gz VLFMOANIIRLMRV-MRVPVSSYSA-N 1 1 255.278 -0.559 20 5 CBBDMO Cn1cnc([N+](=O)[O-])c1N1CC[N@@H+](C)C[C@@H]1CO ZINC000601980402 355625197 /nfs/dbraw/zinc/62/51/97/355625197.db2.gz VLFMOANIIRLMRV-MRVPVSSYSA-N 1 1 255.278 -0.559 20 5 CBBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@H](O)C[C@H](O)C2)c1 ZINC000610604392 355782237 /nfs/dbraw/zinc/78/22/37/355782237.db2.gz PRLBYVCRJHTBGK-AOOOYVTPSA-N 1 1 256.262 -0.781 20 5 CBBDMO C[C@H]1C[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C[N@H+]1C1CC1 ZINC000610654049 355784491 /nfs/dbraw/zinc/78/44/91/355784491.db2.gz FROMOJQYFFCYCV-DTWKUNHWSA-N 1 1 294.315 -0.072 20 5 CBBDMO C[NH+]1CCN(CC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000610889779 355789304 /nfs/dbraw/zinc/78/93/04/355789304.db2.gz SICCYQSTQUWYPV-UHFFFAOYSA-N 1 1 296.331 -0.845 20 5 CBBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 ZINC000285642838 283156393 /nfs/dbraw/zinc/15/63/93/283156393.db2.gz FLVBLHBFVKPUGN-VHSXEESVSA-N 1 1 295.299 -0.137 20 5 CBBDMO C[C@H](O)[C@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000183150836 189348217 /nfs/dbraw/zinc/34/82/17/189348217.db2.gz URSZEJVXCWYOGT-NHCYSSNCSA-N 1 1 284.316 -0.145 20 5 CBBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H](C)C1 ZINC000330601655 203025167 /nfs/dbraw/zinc/02/51/67/203025167.db2.gz IMDLMORWBXKAMG-RKDXNWHRSA-N 1 1 297.315 -0.155 20 5 CBBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H](C)C1 ZINC000330601655 203025170 /nfs/dbraw/zinc/02/51/70/203025170.db2.gz IMDLMORWBXKAMG-RKDXNWHRSA-N 1 1 297.315 -0.155 20 5 CBBDMO C[N@H+]1CC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000330668795 203097618 /nfs/dbraw/zinc/09/76/18/203097618.db2.gz CNHFGRZQLMWKEA-SNVBAGLBSA-N 1 1 294.311 -0.176 20 5 CBBDMO C[C@H]1C[N@H+](C)CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000330676328 203106727 /nfs/dbraw/zinc/10/67/27/203106727.db2.gz UDNYLVBWJHRPJO-JTQLQIEISA-N 1 1 294.311 -0.081 20 5 CBBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000330676328 203106728 /nfs/dbraw/zinc/10/67/28/203106728.db2.gz UDNYLVBWJHRPJO-JTQLQIEISA-N 1 1 294.311 -0.081 20 5 CBBDMO COCC[N@@H+](C)CCNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000171127643 372831536 /nfs/dbraw/zinc/83/15/36/372831536.db2.gz VRGBUZJSLOGRHF-UHFFFAOYSA-N 1 1 299.331 -0.206 20 5 CBBDMO CC(C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC(N)=O ZINC000176197718 372836013 /nfs/dbraw/zinc/83/60/13/372836013.db2.gz IHTHPNVKEYVAQX-UHFFFAOYSA-N 1 1 255.278 -0.013 20 5 CBBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC1(O)CCC1 ZINC000353476711 220104074 /nfs/dbraw/zinc/10/40/74/220104074.db2.gz AOHKSUCXMMFOHC-NSHDSACASA-N 1 1 284.316 -0.001 20 5 CBBDMO C[NH+](C)C[C@](C)(O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000344676766 217272551 /nfs/dbraw/zinc/27/25/51/217272551.db2.gz MAFODXNEDIHYRT-SNVBAGLBSA-N 1 1 271.277 -0.640 20 5 CBBDMO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCNC1=O ZINC000281979477 372933162 /nfs/dbraw/zinc/93/31/62/372933162.db2.gz WEQVCIUSYFPMEZ-LLVKDONJSA-N 1 1 294.311 -0.033 20 5 CBBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCNC1=O ZINC000281979477 372933168 /nfs/dbraw/zinc/93/31/68/372933168.db2.gz WEQVCIUSYFPMEZ-LLVKDONJSA-N 1 1 294.311 -0.033 20 5 CBBDMO COC(=O)[C@H](C)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000361636571 373319670 /nfs/dbraw/zinc/31/96/70/373319670.db2.gz IFRPLTLIAVRURD-WPRPVWTQSA-N 1 1 286.288 -0.355 20 5 CBBDMO COC(=O)[C@H](C)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000361636571 373319682 /nfs/dbraw/zinc/31/96/82/373319682.db2.gz IFRPLTLIAVRURD-WPRPVWTQSA-N 1 1 286.288 -0.355 20 5 CBBDMO COC(=O)[C@@H](C)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000361636569 373320437 /nfs/dbraw/zinc/32/04/37/373320437.db2.gz IFRPLTLIAVRURD-SCZZXKLOSA-N 1 1 286.288 -0.355 20 5 CBBDMO COC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000361636569 373320445 /nfs/dbraw/zinc/32/04/45/373320445.db2.gz IFRPLTLIAVRURD-SCZZXKLOSA-N 1 1 286.288 -0.355 20 5 CBBDMO CO[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000361371677 373285573 /nfs/dbraw/zinc/28/55/73/373285573.db2.gz IKCQFSKWNDMRBJ-GHMZBOCLSA-N 1 1 270.289 -0.127 20 5 CBBDMO COCC[N@H+]1CCCN(C(=O)[C@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000363375182 373490899 /nfs/dbraw/zinc/49/08/99/373490899.db2.gz QAZMLQCCDCGHQA-WDEREUQCSA-N 1 1 271.317 -0.168 20 5 CBBDMO COCC[N@@H+]1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000363375182 373490904 /nfs/dbraw/zinc/49/09/04/373490904.db2.gz QAZMLQCCDCGHQA-WDEREUQCSA-N 1 1 271.317 -0.168 20 5 CBBDMO COCC[N@H+]1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000363375182 373490909 /nfs/dbraw/zinc/49/09/09/373490909.db2.gz QAZMLQCCDCGHQA-WDEREUQCSA-N 1 1 271.317 -0.168 20 5 CBBDMO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532138837 374160083 /nfs/dbraw/zinc/16/00/83/374160083.db2.gz ABKRZFMAMVVWPP-LLVKDONJSA-N 1 1 293.327 -0.035 20 5 CBBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532138837 374160087 /nfs/dbraw/zinc/16/00/87/374160087.db2.gz ABKRZFMAMVVWPP-LLVKDONJSA-N 1 1 293.327 -0.035 20 5 CBBDMO C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)NCC[NH+](C)C ZINC000552077721 374259704 /nfs/dbraw/zinc/25/97/04/374259704.db2.gz VLUTWRHHFDUUAV-SSDOTTSWSA-N 1 1 298.303 -0.886 20 5 CBBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1CSC[NH2+]1 ZINC000583753694 374365910 /nfs/dbraw/zinc/36/59/10/374365910.db2.gz DLJGXDWLGPMYLG-MRVPVSSYSA-N 1 1 271.302 -0.430 20 5 CBBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000356870082 248295399 /nfs/dbraw/zinc/29/53/99/248295399.db2.gz CXQPOMRPSYSSIA-IUCAKERBSA-N 1 1 282.304 -0.263 20 5 CBBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358046265 248438552 /nfs/dbraw/zinc/43/85/52/248438552.db2.gz KOKOBGQZODHOQO-GFCCVEGCSA-N 1 1 297.315 -0.717 20 5 CBBDMO COCC[N@@H+](C)CCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000347157655 218141090 /nfs/dbraw/zinc/14/10/90/218141090.db2.gz OYWOXPMBNBNCHZ-UHFFFAOYSA-N 1 1 285.304 -0.364 20 5 CBBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2C[C@H](O)[C@@H](O)C2)c1 ZINC000278799883 194161236 /nfs/dbraw/zinc/16/12/36/194161236.db2.gz OOPSMFZSQKKHHL-WOPDTQHZSA-N 1 1 268.269 -0.334 20 5 CBBDMO COCC[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266527523 190264395 /nfs/dbraw/zinc/26/43/95/190264395.db2.gz DNZQKZJHWMTKFK-SNVBAGLBSA-N 1 1 258.278 -0.270 20 5 CBBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCOC1 ZINC000266564202 190267310 /nfs/dbraw/zinc/26/73/10/190267310.db2.gz YXLBUENQGHFVFL-ONGXEEELSA-N 1 1 270.289 -0.127 20 5 CBBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCOC1 ZINC000266564199 190267579 /nfs/dbraw/zinc/26/75/79/190267579.db2.gz YXLBUENQGHFVFL-MWLCHTKSSA-N 1 1 270.289 -0.127 20 5 CBBDMO CN1CC[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)C1=O ZINC000266939010 190292534 /nfs/dbraw/zinc/29/25/34/190292534.db2.gz PIDXJVXYDMQWLE-SNVBAGLBSA-N 1 1 267.289 -0.046 20 5 CBBDMO CN1CC[C@@H]([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)C1=O ZINC000266939010 190292535 /nfs/dbraw/zinc/29/25/35/190292535.db2.gz PIDXJVXYDMQWLE-SNVBAGLBSA-N 1 1 267.289 -0.046 20 5 CBBDMO O=[N+]([O-])c1ccn(CC[N@H+](CCO)CCCO)n1 ZINC000267074723 190301412 /nfs/dbraw/zinc/30/14/12/190301412.db2.gz LNLUKFMQJGFADO-UHFFFAOYSA-N 1 1 258.278 -0.532 20 5 CBBDMO CC[N@@H+](CCO)CCNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000347795400 218360376 /nfs/dbraw/zinc/36/03/76/218360376.db2.gz SCEVVJKQYADSCE-UHFFFAOYSA-N 1 1 299.331 -0.319 20 5 CBBDMO Cn1c(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000347884310 218389105 /nfs/dbraw/zinc/38/91/05/218389105.db2.gz LQTIEHVUMSNBDX-JTQLQIEISA-N 1 1 295.343 -0.091 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H]2CCO)c1 ZINC000426257372 208045673 /nfs/dbraw/zinc/04/56/73/208045673.db2.gz VPZJLVZWIISJRA-PWSUYJOCSA-N 1 1 284.316 -0.001 20 5 CBBDMO C[C@H]1C[C@@H](O)CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000429117924 208109290 /nfs/dbraw/zinc/10/92/90/208109290.db2.gz RFWFOFWRSKSFFB-DLOVCJGASA-N 1 1 284.316 -0.003 20 5 CBBDMO CCC[N@H+](CC(N)=O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000429180424 208115388 /nfs/dbraw/zinc/11/53/88/208115388.db2.gz XZTOQLUODGPZSO-JTQLQIEISA-N 1 1 285.304 -0.651 20 5 CBBDMO C[N@H+]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000438796708 208311529 /nfs/dbraw/zinc/31/15/29/208311529.db2.gz XHAHHXKNSSGKJJ-GFCCVEGCSA-N 1 1 283.332 -0.210 20 5 CBBDMO CN1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000438796708 208311533 /nfs/dbraw/zinc/31/15/33/208311533.db2.gz XHAHHXKNSSGKJJ-GFCCVEGCSA-N 1 1 283.332 -0.210 20 5 CBBDMO CN1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000438796708 208311540 /nfs/dbraw/zinc/31/15/40/208311540.db2.gz XHAHHXKNSSGKJJ-GFCCVEGCSA-N 1 1 283.332 -0.210 20 5 CBBDMO O=C(NCC[N@@H+]1CCCOCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000438689057 208312766 /nfs/dbraw/zinc/31/27/66/208312766.db2.gz YGQGRAHRBKQUDH-UHFFFAOYSA-N 1 1 283.288 -0.230 20 5 CBBDMO O=C(NCC[N@H+]1CCCOCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000438689057 208312772 /nfs/dbraw/zinc/31/27/72/208312772.db2.gz YGQGRAHRBKQUDH-UHFFFAOYSA-N 1 1 283.288 -0.230 20 5 CBBDMO O=[N+]([O-])c1cnc(N2CC[N@@H+]3CCOC[C@H]3C2)nc1 ZINC000363906225 285175132 /nfs/dbraw/zinc/17/51/32/285175132.db2.gz GGSVYKPZUGICPU-SNVBAGLBSA-N 1 1 265.273 -0.094 20 5 CBBDMO O=[N+]([O-])c1cnc(N2CC[N@H+]3CCOC[C@H]3C2)nc1 ZINC000363906225 285175139 /nfs/dbraw/zinc/17/51/39/285175139.db2.gz GGSVYKPZUGICPU-SNVBAGLBSA-N 1 1 265.273 -0.094 20 5 CBBDMO C[C@H](O)C[NH+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000275057632 135103179 /nfs/dbraw/zinc/10/31/79/135103179.db2.gz VFXYJINGBLKIFJ-QMMMGPOBSA-N 1 1 282.304 -0.530 20 5 CBBDMO COCC[N@@H+](C)CCNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000344278948 419772332 /nfs/dbraw/zinc/77/23/32/419772332.db2.gz YSVBTGUZYPVYOE-UHFFFAOYSA-N 1 1 299.331 -0.055 20 5 CBBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@]1(CO)CCOC1 ZINC000359574063 419972230 /nfs/dbraw/zinc/97/22/30/419972230.db2.gz AZFFYNSNBKPKJN-LLVKDONJSA-N 1 1 270.289 -0.126 20 5 CBBDMO CC(C)(O)C[N@H+]1CCCN(C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CC1 ZINC000364613022 420044567 /nfs/dbraw/zinc/04/45/67/420044567.db2.gz NQXYPJHTXXVQSM-QWRGUYRKSA-N 1 1 285.344 -0.043 20 5 CBBDMO CC(C)(O)C[N@@H+]1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000364613022 420044571 /nfs/dbraw/zinc/04/45/71/420044571.db2.gz NQXYPJHTXXVQSM-QWRGUYRKSA-N 1 1 285.344 -0.043 20 5 CBBDMO CC(C)(O)C[N@H+]1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000364613022 420044575 /nfs/dbraw/zinc/04/45/75/420044575.db2.gz NQXYPJHTXXVQSM-QWRGUYRKSA-N 1 1 285.344 -0.043 20 5 CBBDMO C[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)[C@@H](C)C[N@H+]1CCO ZINC000419007282 420243943 /nfs/dbraw/zinc/24/39/43/420243943.db2.gz RICBERHOTZAWQF-BDAKNGLRSA-N 1 1 296.331 -0.142 20 5 CBBDMO Nc1nc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ncc1[N+](=O)[O-] ZINC000450795118 420298632 /nfs/dbraw/zinc/29/86/32/420298632.db2.gz SOVMNVAYHCRPQF-DTORHVGOSA-N 1 1 294.315 -0.336 20 5 CBBDMO C[C@@H]1C[N@H+](CCO)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000450952012 420300952 /nfs/dbraw/zinc/30/09/52/420300952.db2.gz HIQLUAQDZAEKDC-MRVPVSSYSA-N 1 1 282.304 -0.530 20 5 CBBDMO C[C@@H]1C[N@@H+](CCO)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000450952012 420300958 /nfs/dbraw/zinc/30/09/58/420300958.db2.gz HIQLUAQDZAEKDC-MRVPVSSYSA-N 1 1 282.304 -0.530 20 5 CBBDMO Nc1nccc(C(=O)NCC[N@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000600809189 420492701 /nfs/dbraw/zinc/49/27/01/420492701.db2.gz VUJQKXASNJTUGU-QMMMGPOBSA-N 1 1 295.299 -0.632 20 5 CBBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)[C@H]2C1 ZINC000285751235 277152169 /nfs/dbraw/zinc/15/21/69/277152169.db2.gz LMHDYKWURQAWEF-UWVGGRQHSA-N 1 1 295.299 -0.137 20 5 CBBDMO COCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C)C(N)=O ZINC000174851706 277217356 /nfs/dbraw/zinc/21/73/56/277217356.db2.gz RZSQDZPFDQGBGZ-SECBINFHSA-N 1 1 285.304 -0.387 20 5 CBBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C)C(N)=O ZINC000174851706 277217357 /nfs/dbraw/zinc/21/73/57/277217357.db2.gz RZSQDZPFDQGBGZ-SECBINFHSA-N 1 1 285.304 -0.387 20 5 CBBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000566250245 334638839 /nfs/dbraw/zinc/63/88/39/334638839.db2.gz CBXJQPRSIPAONK-LLVKDONJSA-N 1 1 285.279 -0.049 20 5 CBBDMO C[N@H+](C[C@H](O)CNCCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000577503494 335360894 /nfs/dbraw/zinc/36/08/94/335360894.db2.gz QXPQQTYGZHMOQT-GFCCVEGCSA-N 1 1 283.332 -0.164 20 5 CBBDMO C[N@@H+](C[C@H](O)CNCCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000577503494 335360895 /nfs/dbraw/zinc/36/08/95/335360895.db2.gz QXPQQTYGZHMOQT-GFCCVEGCSA-N 1 1 283.332 -0.164 20 5 CBBDMO CC(C)[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@H+]1C ZINC000490298650 527829809 /nfs/dbraw/zinc/82/98/09/527829809.db2.gz KTSKFNLLSKROKU-SNVBAGLBSA-N 1 1 296.331 -0.015 20 5 CBBDMO CC[N@H+](CC(=O)NC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000743842618 582278325 /nfs/dbraw/zinc/27/83/25/582278325.db2.gz IVNSUGSOYNVSDN-SNVBAGLBSA-N 1 1 285.304 -0.780 20 5 CBBDMO O=C(Cn1cnc([N+](=O)[O-])n1)OCCC[NH+]1CCOCC1 ZINC000750880689 582292181 /nfs/dbraw/zinc/29/21/81/582292181.db2.gz RVAYLDHUYDPKDU-UHFFFAOYSA-N 1 1 299.287 -0.548 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c1 ZINC000782616047 582369934 /nfs/dbraw/zinc/36/99/34/582369934.db2.gz LRGCNRLVKUOYHX-JLLWLGSASA-N 1 1 282.300 -0.534 20 5 CBBDMO C[C@]1(C(N)=O)CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000794702927 582406731 /nfs/dbraw/zinc/40/67/31/582406731.db2.gz GLQSQUBOFIXLLN-JTQLQIEISA-N 1 1 253.262 -0.054 20 5 CBBDMO C[C@]1(C(N)=O)CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000794702927 582406732 /nfs/dbraw/zinc/40/67/32/582406732.db2.gz GLQSQUBOFIXLLN-JTQLQIEISA-N 1 1 253.262 -0.054 20 5 CBBDMO COCCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839689494 583157650 /nfs/dbraw/zinc/15/76/50/583157650.db2.gz CIMWYVHFTLECQC-NXEZZACHSA-N 1 1 259.306 -0.264 20 5 CBBDMO COCCC[N@H+](C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839689494 583157652 /nfs/dbraw/zinc/15/76/52/583157652.db2.gz CIMWYVHFTLECQC-NXEZZACHSA-N 1 1 259.306 -0.264 20 5 CBBDMO COCCC[N@@H+](C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839689494 583157654 /nfs/dbraw/zinc/15/76/54/583157654.db2.gz CIMWYVHFTLECQC-NXEZZACHSA-N 1 1 259.306 -0.264 20 5 CBBDMO CN(C)CC[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839774083 583159724 /nfs/dbraw/zinc/15/97/24/583159724.db2.gz NKWREMTZTWXSEI-GHMZBOCLSA-N 1 1 272.349 -0.349 20 5 CBBDMO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000840403752 583164811 /nfs/dbraw/zinc/16/48/11/583164811.db2.gz WXASHOWPFZSXJZ-GMTAPVOTSA-N 1 1 271.317 -0.385 20 5 CBBDMO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000844036400 583245678 /nfs/dbraw/zinc/24/56/78/583245678.db2.gz IKMAEQDJKNNHEA-IVZWLZJFSA-N 1 1 284.316 -0.770 20 5 CBBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000856256654 583657409 /nfs/dbraw/zinc/65/74/09/583657409.db2.gz MYNIMHTXWXSMRA-QJPTWQEYSA-N 1 1 283.328 -0.291 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000856256654 583657410 /nfs/dbraw/zinc/65/74/10/583657410.db2.gz MYNIMHTXWXSMRA-QJPTWQEYSA-N 1 1 283.328 -0.291 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000856256654 583657412 /nfs/dbraw/zinc/65/74/12/583657412.db2.gz MYNIMHTXWXSMRA-QJPTWQEYSA-N 1 1 283.328 -0.291 20 5 CBBDMO Cn1ncc([N+](=O)[O-])c1NCC(=O)N1CC[NH+](C)CC1 ZINC000892085809 584603646 /nfs/dbraw/zinc/60/36/46/584603646.db2.gz PPGBRZVNMOPMKZ-UHFFFAOYSA-N 1 1 282.304 -0.486 20 5 CBBDMO Cn1ncc([N+](=O)[O-])c1N1CC[NH+](CCCO)CC1 ZINC000892164441 584606709 /nfs/dbraw/zinc/60/67/09/584606709.db2.gz DFHWKACUFAJPOE-UHFFFAOYSA-N 1 1 269.305 -0.167 20 5 CBBDMO CC1CN(CC[N+](=O)[O-])CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930654950 659317437 /nfs/dbraw/zinc/31/74/37/659317437.db2.gz FKMDJFMALKEGHF-UHFFFAOYSA-N 1 1 260.294 -0.207 20 5 CBBDMO O=[N+]([O-])CC[NH2+]CCS(=O)(=O)N1CCSCC1 ZINC000905098624 656338432 /nfs/dbraw/zinc/33/84/32/656338432.db2.gz UNZPOLWIASYHBG-UHFFFAOYSA-N 1 1 283.375 -0.769 20 5 CBBDMO C[C@H]1C[C@H]([NH2+]CC[N+](=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000905146921 656341352 /nfs/dbraw/zinc/34/13/52/656341352.db2.gz SWBMKHFKJYEZIX-WPRPVWTQSA-N 1 1 267.289 -0.220 20 5 CBBDMO O=C(NCC1=CC[N@@H+](CCCO)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000675836 656759479 /nfs/dbraw/zinc/75/94/79/656759479.db2.gz WRMYRCJPZRBKJY-VXGBXAGGSA-N 1 1 283.328 -0.218 20 5 CBBDMO O=C(NCC1=CC[N@H+](CCCO)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000675836 656759487 /nfs/dbraw/zinc/75/94/87/656759487.db2.gz WRMYRCJPZRBKJY-VXGBXAGGSA-N 1 1 283.328 -0.218 20 5 CBBDMO O=C(NCC1=CC[N@@H+](CCCO)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000675836 656759494 /nfs/dbraw/zinc/75/94/94/656759494.db2.gz WRMYRCJPZRBKJY-VXGBXAGGSA-N 1 1 283.328 -0.218 20 5 CBBDMO O=C(NCC1CC[NH+](CCO)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001001401007 656809490 /nfs/dbraw/zinc/80/94/90/656809490.db2.gz XEDPOQQPQYNCJG-GHMZBOCLSA-N 1 1 271.317 -0.528 20 5 CBBDMO Cn1ccnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001020139040 658017132 /nfs/dbraw/zinc/01/71/32/658017132.db2.gz OCZVDOLBSBLCTQ-GWOFURMSSA-N 1 1 293.327 -0.178 20 5 CBBDMO O=C(N[C@H]1C[C@H]([NH2+]CCn2cccn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139674 658017175 /nfs/dbraw/zinc/01/71/75/658017175.db2.gz LEIWLARXVYUXCC-DDHJBXDOSA-N 1 1 293.327 -0.215 20 5 CBBDMO CCn1nc2c(cc1=O)C[N@H+](CC[N+](=O)[O-])CC2 ZINC000929752909 659168775 /nfs/dbraw/zinc/16/87/75/659168775.db2.gz IBGRYQFTAUZHFV-UHFFFAOYSA-N 1 1 252.274 -0.102 20 5 CBBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(CC[N+](=O)[O-])CC1 ZINC000929847613 659181565 /nfs/dbraw/zinc/18/15/65/659181565.db2.gz XXJQFZNLHBMORU-NSHDSACASA-N 1 1 270.333 -0.499 20 5 CBBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](CCO)C2 ZINC000981764683 659330350 /nfs/dbraw/zinc/33/03/50/659330350.db2.gz YKVNERIQRQWVCF-GHMZBOCLSA-N 1 1 283.328 -0.432 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCC[N@@H+](CCO)C2 ZINC000981764683 659330355 /nfs/dbraw/zinc/33/03/55/659330355.db2.gz YKVNERIQRQWVCF-GHMZBOCLSA-N 1 1 283.328 -0.432 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](CCO)C2 ZINC000981764683 659330359 /nfs/dbraw/zinc/33/03/59/659330359.db2.gz YKVNERIQRQWVCF-GHMZBOCLSA-N 1 1 283.328 -0.432 20 5 CBBDMO O=C(C[NH+]1CCCC1)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991289457 659830315 /nfs/dbraw/zinc/83/03/15/659830315.db2.gz FOKAKZHIMKTZEO-GHMZBOCLSA-N 1 1 296.327 -0.926 20 5 CBBDMO NC(=O)N1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000175157620 790417215 /nfs/dbraw/zinc/41/72/15/790417215.db2.gz BTKUQMUPHZFOEK-UHFFFAOYSA-N 1 1 282.304 -0.122 20 5 CBBDMO NC(=O)N1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000175157620 790417222 /nfs/dbraw/zinc/41/72/22/790417222.db2.gz BTKUQMUPHZFOEK-UHFFFAOYSA-N 1 1 282.304 -0.122 20 5 CBBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001048812445 801971390 /nfs/dbraw/zinc/97/13/90/801971390.db2.gz JTCHYBFITVSEPW-LMLFDSFASA-N 1 1 269.301 -0.966 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001048812445 801971393 /nfs/dbraw/zinc/97/13/93/801971393.db2.gz JTCHYBFITVSEPW-LMLFDSFASA-N 1 1 269.301 -0.966 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001048812445 801971397 /nfs/dbraw/zinc/97/13/97/801971397.db2.gz JTCHYBFITVSEPW-LMLFDSFASA-N 1 1 269.301 -0.966 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[NH+](CCO)CC2 ZINC001050519930 802066918 /nfs/dbraw/zinc/06/69/18/802066918.db2.gz MFXQLPNKKPOEFJ-GHMZBOCLSA-N 1 1 283.328 -0.432 20 5 CBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)C1CC1 ZINC001122432263 813163817 /nfs/dbraw/zinc/16/38/17/813163817.db2.gz QPSDFKDTIQNHHP-UHFFFAOYSA-N 1 1 267.289 -0.056 20 5 CBBDMO CN(CCC[NH2+]CC(=O)N1CCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001322505750 803905430 /nfs/dbraw/zinc/90/54/30/803905430.db2.gz QFOZZDITAODUFO-GHMZBOCLSA-N 1 1 298.343 -0.678 20 5 CBBDMO C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1C[N@H+](C)CCO1 ZINC001324126389 804110394 /nfs/dbraw/zinc/11/03/94/804110394.db2.gz BKPCXDMXHBZYDM-IUCAKERBSA-N 1 1 298.303 -0.978 20 5 CBBDMO C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1C[N@@H+](C)CCO1 ZINC001324126389 804110401 /nfs/dbraw/zinc/11/04/01/804110401.db2.gz BKPCXDMXHBZYDM-IUCAKERBSA-N 1 1 298.303 -0.978 20 5 CBBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC001325268168 804268055 /nfs/dbraw/zinc/26/80/55/804268055.db2.gz KMLQJIZHIXTDNZ-SNVBAGLBSA-N 1 1 269.261 -0.886 20 5 CBBDMO O=C(NC[C@]1(CO)COCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC001151817529 815096108 /nfs/dbraw/zinc/09/61/08/815096108.db2.gz RLCBMCYCLUQYQB-ZDUSSCGKSA-N 1 1 295.295 -0.325 20 5 CBBDMO COc1ncnc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)c1[N+](=O)[O-] ZINC001155570011 815293680 /nfs/dbraw/zinc/29/36/80/815293680.db2.gz JQBGEAZBGCLIRZ-UPONEAKYSA-N 1 1 294.271 -0.617 20 5 CBBDMO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC([NH2+]C2COC2)C1 ZINC001157601917 815447603 /nfs/dbraw/zinc/44/76/03/815447603.db2.gz FGMZPGNFPKIJJJ-UHFFFAOYSA-N 1 1 267.245 -0.869 20 5 CBBDMO CC[C@@]([NH3+])(CO)Nc1nc(OC)c([N+](=O)[O-])c(OC)n1 ZINC001159744349 815591321 /nfs/dbraw/zinc/59/13/21/815591321.db2.gz VBXJKMUWWUMBJL-JTQLQIEISA-N 1 1 287.276 -0.129 20 5 CBBDMO O=C(NCCC[NH2+]CCn1cncn1)[C@@H]1CC1[N+](=O)[O-] ZINC001157775385 815466048 /nfs/dbraw/zinc/46/60/48/815466048.db2.gz QNLPRMUSEYVAEC-NXEZZACHSA-N 1 1 282.304 -0.961 20 5 CBBDMO COc1ncnc(-n2cnc(C[NH3+])n2)c1[N+](=O)[O-] ZINC001157928301 815484188 /nfs/dbraw/zinc/48/41/88/815484188.db2.gz GOWNJTWAELJPDR-UHFFFAOYSA-N 1 1 251.206 -0.567 20 5 CBBDMO C[N@@H+](CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C1CC1 ZINC001116342116 812247009 /nfs/dbraw/zinc/24/70/09/812247009.db2.gz NTHBGCKPWRORJG-UHFFFAOYSA-N 1 1 294.311 -0.033 20 5 CBBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CCCOCC1 ZINC001116707066 812300608 /nfs/dbraw/zinc/30/06/08/812300608.db2.gz SDZNFBCYJHANRK-UHFFFAOYSA-N 1 1 297.315 -0.220 20 5 CBBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NCC[N@H+]1CCCOCC1 ZINC001116707066 812300619 /nfs/dbraw/zinc/30/06/19/812300619.db2.gz SDZNFBCYJHANRK-UHFFFAOYSA-N 1 1 297.315 -0.220 20 5 CBBDMO Cc1c([N+](=O)[O-])ccc(=O)n1Cc1noc(C[NH3+])n1 ZINC001118199541 812492724 /nfs/dbraw/zinc/49/27/24/812492724.db2.gz NEGJWKMIPJAKJT-UHFFFAOYSA-N 1 1 265.229 -0.045 20 5 CBBDMO COC(=O)[C@H]1C[NH+](CC[N+](=O)[O-])C[C@@H]1C(=O)OC ZINC001120366961 812954458 /nfs/dbraw/zinc/95/44/58/812954458.db2.gz ZEUZDUSBJCZVOV-YUMQZZPRSA-N 1 1 260.246 -0.843 20 5 CBBDMO CC(C)(C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126943131 813697657 /nfs/dbraw/zinc/69/76/57/813697657.db2.gz MIURZRVEVZXILV-RKDXNWHRSA-N 1 1 286.332 -0.728 20 5 CBBDMO O=C(NCCC1=CC[N@@H+](CCO)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160107163 815609766 /nfs/dbraw/zinc/60/97/66/815609766.db2.gz KNEFZEHCKBWHQV-VXGBXAGGSA-N 1 1 283.328 -0.218 20 5 CBBDMO O=C(NCCC1=CC[N@H+](CCO)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001160107163 815609772 /nfs/dbraw/zinc/60/97/72/815609772.db2.gz KNEFZEHCKBWHQV-VXGBXAGGSA-N 1 1 283.328 -0.218 20 5 CBBDMO O=C(NCCC1=CC[N@@H+](CCO)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001160107163 815609777 /nfs/dbraw/zinc/60/97/77/815609777.db2.gz KNEFZEHCKBWHQV-VXGBXAGGSA-N 1 1 283.328 -0.218 20 5 CBBDMO O=C1C[NH2+]CCN1CCNc1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001161019769 815698406 /nfs/dbraw/zinc/69/84/06/815698406.db2.gz SSQKXWIXAKLTPO-UHFFFAOYSA-N 1 1 281.272 -0.928 20 5 CBBDMO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ncc([N+](=O)[O-])cn2)N1 ZINC001163238091 815868934 /nfs/dbraw/zinc/86/89/34/815868934.db2.gz LMNHFBBBDZQBAJ-XCBNKYQSSA-N 1 1 264.245 -0.625 20 5 CBBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC001301605481 816750624 /nfs/dbraw/zinc/75/06/24/816750624.db2.gz ODNHVLZASDQFJF-SNVBAGLBSA-N 1 1 297.315 -0.765 20 5 CBBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC001301605481 816750628 /nfs/dbraw/zinc/75/06/28/816750628.db2.gz ODNHVLZASDQFJF-SNVBAGLBSA-N 1 1 297.315 -0.765 20 5 CBBDMO C[NH+]1CCC(O)(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC001319611381 817224929 /nfs/dbraw/zinc/22/49/29/817224929.db2.gz DGQBHQTXMWJPNS-UHFFFAOYSA-N 1 1 283.288 -0.496 20 5 CBBDMO C[N@H+]1CCC[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001320009179 817267754 /nfs/dbraw/zinc/26/77/54/817267754.db2.gz HEECYEVVTDFMRP-SNVBAGLBSA-N 1 1 294.311 -0.033 20 5 CBBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC001320513246 817347798 /nfs/dbraw/zinc/34/77/98/817347798.db2.gz JLWWVOXVBXFBLV-JTQLQIEISA-N 1 1 269.261 -0.886 20 5 CBBDMO C[N@@H+]1CC[C@](O)(CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC001320513246 817347804 /nfs/dbraw/zinc/34/78/04/817347804.db2.gz JLWWVOXVBXFBLV-JTQLQIEISA-N 1 1 269.261 -0.886 20 5 CBBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC001320513246 817347811 /nfs/dbraw/zinc/34/78/11/817347811.db2.gz JLWWVOXVBXFBLV-JTQLQIEISA-N 1 1 269.261 -0.886 20 5 CBBDMO NC(=O)[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC001166723490 820020825 /nfs/dbraw/zinc/02/08/25/820020825.db2.gz FOIQGHMFNWTWAS-MRVPVSSYSA-N 1 1 269.236 -0.608 20 5 CBBDMO NC(=O)[C@H]1CN(c2nccc(Cl)c2[N+](=O)[O-])CC[NH2+]1 ZINC001166724114 820022686 /nfs/dbraw/zinc/02/26/86/820022686.db2.gz QOVLYZMHNVHWFP-SSDOTTSWSA-N 1 1 285.691 -0.093 20 5 CBBDMO NC(=O)[C@H]1CN(c2cccc([N+](=O)[O-])n2)CC[NH2+]1 ZINC001166724913 820029125 /nfs/dbraw/zinc/02/91/25/820029125.db2.gz ZTWIQBFSTDBRFI-SSDOTTSWSA-N 1 1 251.246 -0.747 20 5 CBBDMO NC(=O)[C@@H]1CN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)CC[NH2+]1 ZINC001166725982 820031116 /nfs/dbraw/zinc/03/11/16/820031116.db2.gz SVMMTYSVQJLHLG-QMMMGPOBSA-N 1 1 290.283 -0.265 20 5 CBBDMO N=c1cc(C[NH3+])ncn1-c1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001167351692 820082155 /nfs/dbraw/zinc/08/21/55/820082155.db2.gz ZJLSGQXERVCGDX-UHFFFAOYSA-N 1 1 286.255 -0.010 20 5 CBBDMO N=c1cc(C[NH3+])ncn1-c1ncc([N+](=O)[O-])cc1C(N)=O ZINC001167351357 820083672 /nfs/dbraw/zinc/08/36/72/820083672.db2.gz OTKSSPDJBXWXHZ-UHFFFAOYSA-N 1 1 289.255 -0.787 20 5 CBBDMO N=C(NCCCC[NH3+])Nc1ccc([N+](=O)[O-])c(C(N)=O)n1 ZINC001167878670 820125325 /nfs/dbraw/zinc/12/53/25/820125325.db2.gz BLKKJDQXTCUTNO-UHFFFAOYSA-N 1 1 295.303 -0.236 20 5 CBBDMO CN(CC[N@@H+](C)CCO)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001168350787 820159247 /nfs/dbraw/zinc/15/92/47/820159247.db2.gz WXKVSXBRISGQEX-UHFFFAOYSA-N 1 1 298.299 -0.309 20 5 CBBDMO CC[C@@]([NH3+])(CO)Nc1nc(OC)ncc1[N+](=O)[O-] ZINC001170859714 820329522 /nfs/dbraw/zinc/32/95/22/820329522.db2.gz QZLUNYXUSHOAGZ-VIFPVBQESA-N 1 1 257.250 -0.137 20 5 CBBDMO Cc1c[n+]([O-])c(N[C@@H](N)CCC[NH3+])cc1[N+](=O)[O-] ZINC001170899887 820336055 /nfs/dbraw/zinc/33/60/55/820336055.db2.gz YSBMJRDWANFTIM-SECBINFHSA-N 1 1 255.278 -0.028 20 5 CBBDMO Cn1cc(C[NH2+]C2(C(N)=O)CCOCC2)c([N+](=O)[O-])n1 ZINC001171820289 820371866 /nfs/dbraw/zinc/37/18/66/820371866.db2.gz LTGUMJMGIWBNPY-UHFFFAOYSA-N 1 1 283.288 -0.548 20 5 CBBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C(N)=O)C(N)=O ZINC001173214876 820399831 /nfs/dbraw/zinc/39/98/31/820399831.db2.gz RBINPZVFROBZRO-ZETCQYMHSA-N 1 1 280.284 -0.545 20 5 CBBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@H](CO)[C@H](CO)C2)n1 ZINC001175568832 820429873 /nfs/dbraw/zinc/42/98/73/820429873.db2.gz GUFVYKNMMBNXLA-AOOOYVTPSA-N 1 1 270.289 -0.676 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]CCCO)CC1 ZINC001205229569 824376585 /nfs/dbraw/zinc/37/65/85/824376585.db2.gz FATAACUYTAABHC-VXGBXAGGSA-N 1 1 285.344 -0.138 20 5 CBBDMO COC(=O)[C@@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H]1N ZINC001246935738 825734082 /nfs/dbraw/zinc/73/40/82/825734082.db2.gz YJRQTNRGJNEHQA-LNFKQOIKSA-N 1 1 271.317 -0.136 20 5 CBBDMO COC(=O)[C@@H]1CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H]1[NH3+] ZINC001246935738 825734090 /nfs/dbraw/zinc/73/40/90/825734090.db2.gz YJRQTNRGJNEHQA-LNFKQOIKSA-N 1 1 271.317 -0.136 20 5 CBBDMO Cn1cc(CC[N@@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001266273472 826968551 /nfs/dbraw/zinc/96/85/51/826968551.db2.gz SPEFDKYHUYSPBB-VXGBXAGGSA-N 1 1 295.343 -0.324 20 5 CBBDMO Cn1cc(CC[N@H+](C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001266273472 826968554 /nfs/dbraw/zinc/96/85/54/826968554.db2.gz SPEFDKYHUYSPBB-VXGBXAGGSA-N 1 1 295.343 -0.324 20 5 CBBDMO Cn1cc(CC[N@@H+](C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001266273472 826968555 /nfs/dbraw/zinc/96/85/55/826968555.db2.gz SPEFDKYHUYSPBB-VXGBXAGGSA-N 1 1 295.343 -0.324 20 5 CBBDMO O=[N+]([O-])c1ncccc1C[N@H+]1C[C@H](CO)[C@H](O)C1 ZINC001331704523 886920123 /nfs/dbraw/zinc/92/01/23/886920123.db2.gz XORPYKNMBPWODE-NXEZZACHSA-N 1 1 253.258 -0.225 20 5 CBBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1C[C@H](CO)[C@H](O)C1 ZINC001331704523 886920128 /nfs/dbraw/zinc/92/01/28/886920128.db2.gz XORPYKNMBPWODE-NXEZZACHSA-N 1 1 253.258 -0.225 20 5 CBBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC001331704526 886921437 /nfs/dbraw/zinc/92/14/37/886921437.db2.gz XORPYKNMBPWODE-UWVGGRQHSA-N 1 1 253.258 -0.225 20 5 CBBDMO O=[N+]([O-])c1ncccc1C[N@H+]1C[C@H](O)[C@H](CO)C1 ZINC001331704526 886921446 /nfs/dbraw/zinc/92/14/46/886921446.db2.gz XORPYKNMBPWODE-UWVGGRQHSA-N 1 1 253.258 -0.225 20 5 CBBDMO O=[N+]([O-])CC[NH2+]CCS(=O)(=O)C(F)(F)F ZINC001338521620 889170389 /nfs/dbraw/zinc/17/03/89/889170389.db2.gz VIOFKIPKDHKQQL-UHFFFAOYSA-N 1 1 250.198 -0.213 20 5 CBBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC23CC[NH+](CC2)C3)n1 ZINC001354111987 891521213 /nfs/dbraw/zinc/52/12/13/891521213.db2.gz WURKQVQIFHYILJ-UHFFFAOYSA-N 1 1 265.273 -0.094 20 5 CBBDMO CN(CCNC(=O)C[NH+]1CCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001355614978 891695699 /nfs/dbraw/zinc/69/56/99/891695699.db2.gz RBVYKDMFJVCAAI-GHMZBOCLSA-N 1 1 298.343 -0.678 20 5 CBBDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC001454609450 914234197 /nfs/dbraw/zinc/23/41/97/914234197.db2.gz XINMSPNJLCDIEJ-QMMMGPOBSA-N 1 1 297.315 -0.107 20 5 CBBDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC001454609450 914234228 /nfs/dbraw/zinc/23/42/28/914234228.db2.gz XINMSPNJLCDIEJ-QMMMGPOBSA-N 1 1 297.315 -0.107 20 5 CBBDMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)c1c[nH]nc1[N+](=O)[O-] ZINC001468292416 915286775 /nfs/dbraw/zinc/28/67/75/915286775.db2.gz SWEFZYNAEPECEH-VIFPVBQESA-N 1 1 297.315 -0.106 20 5 CBBDMO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC001469258337 915393012 /nfs/dbraw/zinc/39/30/12/915393012.db2.gz FXZBXUOQDQBJDV-SECBINFHSA-N 1 1 297.315 -0.106 20 5 CBBDMO Cn1cc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001483008424 917374476 /nfs/dbraw/zinc/37/44/76/917374476.db2.gz VUJPPUMCNKTCHS-JGLYPNHGSA-N 1 1 293.327 -0.153 20 5 CBBDMO CN(CC(C)(C)C[NH2+]CC(N)=O)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001485250329 918036409 /nfs/dbraw/zinc/03/64/09/918036409.db2.gz AUYJNERIDOAODU-RKDXNWHRSA-N 1 1 286.332 -0.789 20 5 CBBDMO CNC(=O)C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC001490372547 918895936 /nfs/dbraw/zinc/89/59/36/918895936.db2.gz SABSKSZNKONWBA-GHMZBOCLSA-N 1 1 298.343 -0.632 20 5 CBBDMO COCC[NH+]1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2C)CC1 ZINC001519606305 922283715 /nfs/dbraw/zinc/28/37/15/922283715.db2.gz MXIZEUGZTUEZOT-SNVBAGLBSA-N 1 1 298.347 -0.079 20 5 CBBDMO NC(=O)[C@@]1(O)CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000375701403 230249219 /nfs/dbraw/zinc/24/92/19/230249219.db2.gz NIKGBVWBYGAOHX-CYBMUJFWSA-N 1 1 295.295 -0.104 20 5 CBBDMO CC[N@@H+](CCO)CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000274584042 352541947 /nfs/dbraw/zinc/54/19/47/352541947.db2.gz TUTKCOYOHJZUTN-UHFFFAOYSA-N 1 1 270.289 -0.033 20 5 CBBDMO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000352119218 219327618 /nfs/dbraw/zinc/32/76/18/219327618.db2.gz CTUHLPMZTBNEKS-LLVKDONJSA-N 1 1 285.304 -0.250 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H](O)CC2)c1 ZINC000339782178 215338652 /nfs/dbraw/zinc/33/86/52/215338652.db2.gz WXKGXNOSZBQAGF-VXGBXAGGSA-N 1 1 284.316 -0.001 20 5 CBBDMO Cn1cnc([N+](=O)[O-])c1N1CCC[N@@H+](CCO)CC1 ZINC000071349574 351644558 /nfs/dbraw/zinc/64/45/58/351644558.db2.gz JAANFHKHORSISK-UHFFFAOYSA-N 1 1 269.305 -0.167 20 5 CBBDMO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1C[N@H+](C)CCN1C ZINC000068806634 351622300 /nfs/dbraw/zinc/62/23/00/351622300.db2.gz JRXWJACOQKTNJE-SECBINFHSA-N 1 1 268.321 -0.014 20 5 CBBDMO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1C[N@@H+](C)CCN1C ZINC000068806634 351622303 /nfs/dbraw/zinc/62/23/03/351622303.db2.gz JRXWJACOQKTNJE-SECBINFHSA-N 1 1 268.321 -0.014 20 5 CBBDMO Cn1cnc([N+](=O)[O-])c1NC[C@H]1C[N@H+](C)CCN1C ZINC000068806638 351622563 /nfs/dbraw/zinc/62/25/63/351622563.db2.gz JRXWJACOQKTNJE-VIFPVBQESA-N 1 1 268.321 -0.014 20 5 CBBDMO Cn1cnc([N+](=O)[O-])c1NC[C@H]1C[N@@H+](C)CCN1C ZINC000068806638 351622566 /nfs/dbraw/zinc/62/25/66/351622566.db2.gz JRXWJACOQKTNJE-VIFPVBQESA-N 1 1 268.321 -0.014 20 5 CBBDMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075619329 351668746 /nfs/dbraw/zinc/66/87/46/351668746.db2.gz CBHQIGJJZIUTHK-JTQLQIEISA-N 1 1 285.304 -0.828 20 5 CBBDMO CCNC(=O)C[N@@H+](CC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075598042 351668937 /nfs/dbraw/zinc/66/89/37/351668937.db2.gz KZJSVSZXWWWBNB-LLVKDONJSA-N 1 1 299.331 -0.390 20 5 CBBDMO C[N@@H+](CCn1cccn1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075722017 351671266 /nfs/dbraw/zinc/67/12/66/351671266.db2.gz KBQSDJNKQWLULL-GFCCVEGCSA-N 1 1 294.315 -0.019 20 5 CBBDMO C[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)[C@H]1C[N@H+](C)CCO1 ZINC000119053968 351830869 /nfs/dbraw/zinc/83/08/69/351830869.db2.gz HVGQNISZXNUILD-VHSXEESVSA-N 1 1 297.315 -0.373 20 5 CBBDMO C[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)[C@H]1C[N@@H+](C)CCO1 ZINC000119053968 351830874 /nfs/dbraw/zinc/83/08/74/351830874.db2.gz HVGQNISZXNUILD-VHSXEESVSA-N 1 1 297.315 -0.373 20 5 CBBDMO C[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H]1C[N@H+](C)CCO1 ZINC000119053888 351831329 /nfs/dbraw/zinc/83/13/29/351831329.db2.gz HVGQNISZXNUILD-ZJUUUORDSA-N 1 1 297.315 -0.373 20 5 CBBDMO C[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H]1C[N@@H+](C)CCO1 ZINC000119053888 351831330 /nfs/dbraw/zinc/83/13/30/351831330.db2.gz HVGQNISZXNUILD-ZJUUUORDSA-N 1 1 297.315 -0.373 20 5 CBBDMO C[N@@H+]1CCO[C@@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000129970192 351875850 /nfs/dbraw/zinc/87/58/50/351875850.db2.gz AHNHKCDERZMTKT-SNVBAGLBSA-N 1 1 283.288 -0.762 20 5 CBBDMO C[N@H+]1CCO[C@@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000129970192 351875853 /nfs/dbraw/zinc/87/58/53/351875853.db2.gz AHNHKCDERZMTKT-SNVBAGLBSA-N 1 1 283.288 -0.762 20 5 CBBDMO C[C@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000174701853 352049996 /nfs/dbraw/zinc/04/99/96/352049996.db2.gz DBILEVYEHUGMJI-ONGXEEELSA-N 1 1 270.289 -0.127 20 5 CBBDMO C[C@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000174701853 352050000 /nfs/dbraw/zinc/05/00/00/352050000.db2.gz DBILEVYEHUGMJI-ONGXEEELSA-N 1 1 270.289 -0.127 20 5 CBBDMO COCC[N@@H+](CCO)CCn1cc([N+](=O)[O-])cn1 ZINC000174870079 352052406 /nfs/dbraw/zinc/05/24/06/352052406.db2.gz ATUUZNJFJBMIMA-UHFFFAOYSA-N 1 1 258.278 -0.268 20 5 CBBDMO C[N@H+](CC(=O)NC1CC1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173501285 352038148 /nfs/dbraw/zinc/03/81/48/352038148.db2.gz DRADBXSIQGBFMK-LLVKDONJSA-N 1 1 297.315 -0.637 20 5 CBBDMO CNC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173563616 352039569 /nfs/dbraw/zinc/03/95/69/352039569.db2.gz CZVQRAWAACHZFR-QWRGUYRKSA-N 1 1 297.315 -0.637 20 5 CBBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC1(CO)CC1 ZINC000186789095 352131753 /nfs/dbraw/zinc/13/17/53/352131753.db2.gz FIRCCRBIJTXUSK-LLVKDONJSA-N 1 1 284.316 -0.144 20 5 CBBDMO NC(=O)c1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000179171312 352088784 /nfs/dbraw/zinc/08/87/84/352088784.db2.gz PGCQDIKYMJFMTI-MNOVXSKESA-N 1 1 295.295 -0.379 20 5 CBBDMO NC(=O)c1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000179171312 352088786 /nfs/dbraw/zinc/08/87/86/352088786.db2.gz PGCQDIKYMJFMTI-MNOVXSKESA-N 1 1 295.295 -0.379 20 5 CBBDMO C[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1CO ZINC000190374898 352179289 /nfs/dbraw/zinc/17/92/89/352179289.db2.gz IXPSBSOCJWHIOH-ADEWGFFLSA-N 1 1 284.316 -0.145 20 5 CBBDMO C[C@@H](O)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C)CO ZINC000190817004 352184139 /nfs/dbraw/zinc/18/41/39/352184139.db2.gz QMSURNZKPXZMGW-VHSXEESVSA-N 1 1 272.305 -0.145 20 5 CBBDMO C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1CCO ZINC000187703625 352142484 /nfs/dbraw/zinc/14/24/84/352142484.db2.gz BIWIUKLRDHSINK-LLVKDONJSA-N 1 1 283.332 -0.210 20 5 CBBDMO C[C@H](O)[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000248602159 352354096 /nfs/dbraw/zinc/35/40/96/352354096.db2.gz URSZEJVXCWYOGT-HOSYDEDBSA-N 1 1 284.316 -0.145 20 5 CBBDMO C[C@@]1(O)CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000245880912 352325515 /nfs/dbraw/zinc/32/55/15/352325515.db2.gz ICPORKCTRWXGMI-VXGBXAGGSA-N 1 1 284.316 -0.001 20 5 CBBDMO NC(=O)[C@@H]1CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247248680 352344549 /nfs/dbraw/zinc/34/45/49/352344549.db2.gz DTQWTBJGORLVGS-QWRGUYRKSA-N 1 1 297.315 -0.508 20 5 CBBDMO NC(=O)[C@@H]1CCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247248680 352344553 /nfs/dbraw/zinc/34/45/53/352344553.db2.gz DTQWTBJGORLVGS-QWRGUYRKSA-N 1 1 297.315 -0.508 20 5 CBBDMO CNC(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247226940 352344822 /nfs/dbraw/zinc/34/48/22/352344822.db2.gz CZVQRAWAACHZFR-MNOVXSKESA-N 1 1 297.315 -0.637 20 5 CBBDMO NC(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247475094 352347477 /nfs/dbraw/zinc/34/74/77/352347477.db2.gz JOPJPZIPFSHDCK-ZJUUUORDSA-N 1 1 283.288 -0.898 20 5 CBBDMO C[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1CO ZINC000248910807 352357458 /nfs/dbraw/zinc/35/74/58/352357458.db2.gz IXPSBSOCJWHIOH-USWWRNFRSA-N 1 1 284.316 -0.145 20 5 CBBDMO O=C(NCC[N@@H+]1CCCOCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000286781092 352649484 /nfs/dbraw/zinc/64/94/84/352649484.db2.gz MKVQPWSQCLSGGB-UHFFFAOYSA-N 1 1 283.288 -0.230 20 5 CBBDMO O=C(NCC[N@H+]1CCCOCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000286781092 352649489 /nfs/dbraw/zinc/64/94/89/352649489.db2.gz MKVQPWSQCLSGGB-UHFFFAOYSA-N 1 1 283.288 -0.230 20 5 CBBDMO C[N@H+]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000298688727 352714244 /nfs/dbraw/zinc/71/42/44/352714244.db2.gz CMPAOWMNXCYADM-UHFFFAOYSA-N 1 1 267.289 -0.045 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](O)C2)c1 ZINC000304289840 352746419 /nfs/dbraw/zinc/74/64/19/352746419.db2.gz BYJJXERTCMSEHA-VHSXEESVSA-N 1 1 256.262 -0.781 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H](CO)C2)c1 ZINC000304380530 352746654 /nfs/dbraw/zinc/74/66/54/352746654.db2.gz YFEHPDRWCVORFL-ZYHUDNBSSA-N 1 1 284.316 -0.144 20 5 CBBDMO CC[NH+]1CCN(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000331018303 352867187 /nfs/dbraw/zinc/86/71/87/352867187.db2.gz ZAEFRBWXSWOCEY-UHFFFAOYSA-N 1 1 296.331 -0.315 20 5 CBBDMO C[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[N@H+]1CCO ZINC000331120248 352880119 /nfs/dbraw/zinc/88/01/19/352880119.db2.gz AOPWUHCJRVHMNN-SNVBAGLBSA-N 1 1 283.332 -0.173 20 5 CBBDMO C[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@@H+]1CCO ZINC000331139428 352883071 /nfs/dbraw/zinc/88/30/71/352883071.db2.gz GHJAVJBGWDBBFD-SNVBAGLBSA-N 1 1 297.315 -0.684 20 5 CBBDMO C[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@H+]1CCO ZINC000331139428 352883074 /nfs/dbraw/zinc/88/30/74/352883074.db2.gz GHJAVJBGWDBBFD-SNVBAGLBSA-N 1 1 297.315 -0.684 20 5 CBBDMO C[C@H]1C[N@@H+](C)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331256443 352897554 /nfs/dbraw/zinc/89/75/54/352897554.db2.gz WKMZPVSXSYSIOG-CMPLNLGQSA-N 1 1 283.332 -0.212 20 5 CBBDMO C[C@H]1CN(C)CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331256443 352897555 /nfs/dbraw/zinc/89/75/55/352897555.db2.gz WKMZPVSXSYSIOG-CMPLNLGQSA-N 1 1 283.332 -0.212 20 5 CBBDMO C[C@H]1CN(C)CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331256443 352897559 /nfs/dbraw/zinc/89/75/59/352897559.db2.gz WKMZPVSXSYSIOG-CMPLNLGQSA-N 1 1 283.332 -0.212 20 5 CBBDMO COCC[N@H+]1CC[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000340948717 353194117 /nfs/dbraw/zinc/19/41/17/353194117.db2.gz GCEFGOSXDSRQLB-VIFPVBQESA-N 1 1 298.303 -0.977 20 5 CBBDMO CC[N@@H+]1CCO[C@@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000157005508 188292716 /nfs/dbraw/zinc/29/27/16/188292716.db2.gz GDDONIHIAQETBF-LLVKDONJSA-N 1 1 297.315 -0.372 20 5 CBBDMO CC[N@H+]1CCO[C@@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000157005508 188292718 /nfs/dbraw/zinc/29/27/18/188292718.db2.gz GDDONIHIAQETBF-LLVKDONJSA-N 1 1 297.315 -0.372 20 5 CBBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)C2)C1 ZINC000346303190 353370459 /nfs/dbraw/zinc/37/04/59/353370459.db2.gz WUPGZPWPDOLJSW-GFCCVEGCSA-N 1 1 294.315 -0.260 20 5 CBBDMO C[N@H+]1CC[C@]2(CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)C2)C1 ZINC000346303192 353370602 /nfs/dbraw/zinc/37/06/02/353370602.db2.gz WUPGZPWPDOLJSW-LBPRGKRZSA-N 1 1 294.315 -0.260 20 5 CBBDMO C[N@@H+](CCCCO)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000349919197 353467696 /nfs/dbraw/zinc/46/76/96/353467696.db2.gz GUVWPXDJCAQPCO-LLVKDONJSA-N 1 1 272.305 -0.144 20 5 CBBDMO CCn1cc(S(=O)(=O)N2CC[NH2+]CC2)c([N+](=O)[O-])n1 ZINC000353214682 353528579 /nfs/dbraw/zinc/52/85/79/353528579.db2.gz HAJCBWAOVUPQRB-UHFFFAOYSA-N 1 1 289.317 -0.595 20 5 CBBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000354006707 353538254 /nfs/dbraw/zinc/53/82/54/353538254.db2.gz NCTFHCWMWNHADI-SECBINFHSA-N 1 1 282.304 -0.261 20 5 CBBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N1CC[NH+](CCO)CC1 ZINC000356462658 353598186 /nfs/dbraw/zinc/59/81/86/353598186.db2.gz UOANYQMEAVHUOB-UHFFFAOYSA-N 1 1 295.299 -0.797 20 5 CBBDMO Cn1c(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000358046027 353620908 /nfs/dbraw/zinc/62/09/08/353620908.db2.gz KBTCZWIFLDSBRV-GFCCVEGCSA-N 1 1 282.300 -0.270 20 5 CBBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358046273 353621579 /nfs/dbraw/zinc/62/15/79/353621579.db2.gz KOKOBGQZODHOQO-LBPRGKRZSA-N 1 1 297.315 -0.717 20 5 CBBDMO C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CC2[N+](=O)[O-])CCO1 ZINC000371649938 353705151 /nfs/dbraw/zinc/70/51/51/353705151.db2.gz KTKPDLHESFBBHU-KXUCPTDWSA-N 1 1 257.290 -0.559 20 5 CBBDMO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405303586 353807146 /nfs/dbraw/zinc/80/71/46/353807146.db2.gz JUIQRXQUZXIXBQ-VHSXEESVSA-N 1 1 280.284 -0.186 20 5 CBBDMO Nc1ccc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)nc1[N+](=O)[O-] ZINC000405288335 353807369 /nfs/dbraw/zinc/80/73/69/353807369.db2.gz YRHPTGPFEADOFY-DTWKUNHWSA-N 1 1 279.300 -0.173 20 5 CBBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[NH+](C)CC1 ZINC000408014117 353825011 /nfs/dbraw/zinc/82/50/11/353825011.db2.gz IUWQOIUYDSRIPO-UHFFFAOYSA-N 1 1 267.289 -0.126 20 5 CBBDMO C[C@H]1C[N@H+](C)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000408111610 353850694 /nfs/dbraw/zinc/85/06/94/353850694.db2.gz DIMOCTBVDSUFPL-VIFPVBQESA-N 1 1 267.289 -0.046 20 5 CBBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000408111610 353850697 /nfs/dbraw/zinc/85/06/97/353850697.db2.gz DIMOCTBVDSUFPL-VIFPVBQESA-N 1 1 267.289 -0.046 20 5 CBBDMO C[C@H]1C[N@H+](C)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000408112610 353851783 /nfs/dbraw/zinc/85/17/83/353851783.db2.gz MPCXWAUDEHUZMT-VIFPVBQESA-N 1 1 267.289 -0.046 20 5 CBBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000408112610 353851784 /nfs/dbraw/zinc/85/17/84/353851784.db2.gz MPCXWAUDEHUZMT-VIFPVBQESA-N 1 1 267.289 -0.046 20 5 CBBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H](C)C[N@@H+]1CCO ZINC000416309485 353967657 /nfs/dbraw/zinc/96/76/57/353967657.db2.gz NGALURTYSHWTIN-BDAKNGLRSA-N 1 1 297.315 -0.155 20 5 CBBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H](C)C[N@H+]1CCO ZINC000416309485 353967659 /nfs/dbraw/zinc/96/76/59/353967659.db2.gz NGALURTYSHWTIN-BDAKNGLRSA-N 1 1 297.315 -0.155 20 5 CBBDMO C[C@]1(F)C[NH2+]CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000519609793 354564920 /nfs/dbraw/zinc/56/49/20/354564920.db2.gz OLHGIYYFHLTLHT-JTQLQIEISA-N 1 1 286.267 -0.654 20 5 CBBDMO CN(C)CC[N@@H+](C)CCCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000571816462 354881407 /nfs/dbraw/zinc/88/14/07/354881407.db2.gz NXJGGKHUDQDXGJ-UHFFFAOYSA-N 1 1 298.347 -0.069 20 5 CBBDMO CN(CCCNC(=O)c1c[nH]nc1[N+](=O)[O-])CC[NH+](C)C ZINC000571816462 354881408 /nfs/dbraw/zinc/88/14/08/354881408.db2.gz NXJGGKHUDQDXGJ-UHFFFAOYSA-N 1 1 298.347 -0.069 20 5 CBBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000590445762 355080830 /nfs/dbraw/zinc/08/08/30/355080830.db2.gz RPAWIOGWPCVYJC-IUCAKERBSA-N 1 1 280.288 -0.651 20 5 CBBDMO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593534449 355208933 /nfs/dbraw/zinc/20/89/33/355208933.db2.gz AAWYYNZZJNBVNQ-MRVPVSSYSA-N 1 1 286.313 -0.028 20 5 CBBDMO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593534449 355208934 /nfs/dbraw/zinc/20/89/34/355208934.db2.gz AAWYYNZZJNBVNQ-MRVPVSSYSA-N 1 1 286.313 -0.028 20 5 CBBDMO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594393780 355245047 /nfs/dbraw/zinc/24/50/47/355245047.db2.gz PQLNSIBDYNZFOS-WDEREUQCSA-N 1 1 292.295 -0.119 20 5 CBBDMO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594387567 355245427 /nfs/dbraw/zinc/24/54/27/355245427.db2.gz UMCCZNYOHCVIDG-JGVFFNPUSA-N 1 1 281.272 -0.791 20 5 CBBDMO C[C@H](O)[C@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595765591 355305254 /nfs/dbraw/zinc/30/52/54/355305254.db2.gz JQRKEAHDYVJREI-MVWJERBFSA-N 1 1 284.316 -0.003 20 5 CBBDMO CN1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)CCC1=O ZINC000595786653 355307414 /nfs/dbraw/zinc/30/74/14/355307414.db2.gz VIMNJEFUZYZSHJ-UHFFFAOYSA-N 1 1 267.289 -0.045 20 5 CBBDMO CN1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCC1=O ZINC000595786653 355307416 /nfs/dbraw/zinc/30/74/16/355307416.db2.gz VIMNJEFUZYZSHJ-UHFFFAOYSA-N 1 1 267.289 -0.045 20 5 CBBDMO [NH3+]CCN(Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H](O)CO ZINC000595901656 355316790 /nfs/dbraw/zinc/31/67/90/355316790.db2.gz HBPPYLORZBHCHI-LLVKDONJSA-N 1 1 285.300 -0.586 20 5 CBBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599643639 355505769 /nfs/dbraw/zinc/50/57/69/355505769.db2.gz BIDMCIXGZPICSW-DTORHVGOSA-N 1 1 267.289 -0.013 20 5 CBBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599643685 355505880 /nfs/dbraw/zinc/50/58/80/355505880.db2.gz DEIRWKBCKQJFJQ-NGZCFLSTSA-N 1 1 297.315 -0.652 20 5 CBBDMO NC(=O)c1ccnc(NCC[N@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000599199648 355472086 /nfs/dbraw/zinc/47/20/86/355472086.db2.gz OKHIAWRGIODUPT-QMMMGPOBSA-N 1 1 295.299 -0.433 20 5 CBBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCN(C)C2)n1 ZINC000599218256 355473121 /nfs/dbraw/zinc/47/31/21/355473121.db2.gz OJZCCKATQLTVRM-SSDOTTSWSA-N 1 1 289.317 -0.689 20 5 CBBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC([NH+](C)C)C2)n1 ZINC000599270998 355475616 /nfs/dbraw/zinc/47/56/16/355475616.db2.gz BVWCCYFPCMEQES-UHFFFAOYSA-N 1 1 289.317 -0.737 20 5 CBBDMO C[C@H]1C[N@@H+](CCO)CCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602836476 355674619 /nfs/dbraw/zinc/67/46/19/355674619.db2.gz FNYYOBGENQHBFX-JTQLQIEISA-N 1 1 283.332 -0.173 20 5 CBBDMO Cn1cc(CN2CC[N@H+](C)C[C@@H]2CO)c([N+](=O)[O-])n1 ZINC000602903171 355682272 /nfs/dbraw/zinc/68/22/72/355682272.db2.gz CESBKDRHDMKGAS-SNVBAGLBSA-N 1 1 269.305 -0.563 20 5 CBBDMO Cn1cc(CN2CC[N@@H+](C)C[C@@H]2CO)c([N+](=O)[O-])n1 ZINC000602903171 355682277 /nfs/dbraw/zinc/68/22/77/355682277.db2.gz CESBKDRHDMKGAS-SNVBAGLBSA-N 1 1 269.305 -0.563 20 5 CBBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000609383435 355769015 /nfs/dbraw/zinc/76/90/15/355769015.db2.gz NUZZCWVONIEGAL-SNVBAGLBSA-N 1 1 294.315 -0.213 20 5 CBBDMO C[N@H+]1CCC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000604532470 355725787 /nfs/dbraw/zinc/72/57/87/355725787.db2.gz PIDSPGUGHAEMSA-SNVBAGLBSA-N 1 1 294.311 -0.033 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](CCCO)C2CC2)c1 ZINC000610369664 355777845 /nfs/dbraw/zinc/77/78/45/355777845.db2.gz RRMSYBXJWNOKLV-GFCCVEGCSA-N 1 1 284.316 -0.001 20 5 CBBDMO NC(=O)[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000296378116 283355582 /nfs/dbraw/zinc/35/55/82/283355582.db2.gz HNQYLBCZDTUAKB-MRVPVSSYSA-N 1 1 268.248 -0.003 20 5 CBBDMO NC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[NH2+]1 ZINC000343347927 283355822 /nfs/dbraw/zinc/35/58/22/283355822.db2.gz WKZLUTJPXNBQHJ-MRVPVSSYSA-N 1 1 251.246 -0.747 20 5 CBBDMO NC(=O)[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000286312721 283355941 /nfs/dbraw/zinc/35/59/41/283355941.db2.gz ZEYWEPYZFCFZBX-MRVPVSSYSA-N 1 1 268.248 -0.003 20 5 CBBDMO C[C@H](O)[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000183150801 189348505 /nfs/dbraw/zinc/34/85/05/189348505.db2.gz URSZEJVXCWYOGT-UMNHJUIQSA-N 1 1 284.316 -0.145 20 5 CBBDMO CC[N@@H+](CCO)CCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000183975336 189373417 /nfs/dbraw/zinc/37/34/17/189373417.db2.gz ZKERYOAUOLDIMS-UHFFFAOYSA-N 1 1 271.277 -0.638 20 5 CBBDMO CC[N@H+](CCO)CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000183975336 189373418 /nfs/dbraw/zinc/37/34/18/189373418.db2.gz ZKERYOAUOLDIMS-UHFFFAOYSA-N 1 1 271.277 -0.638 20 5 CBBDMO CC[N@@H+](CCO)CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000183975336 189373419 /nfs/dbraw/zinc/37/34/19/189373419.db2.gz ZKERYOAUOLDIMS-UHFFFAOYSA-N 1 1 271.277 -0.638 20 5 CBBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC(O)C1 ZINC000331609266 204009974 /nfs/dbraw/zinc/00/99/74/204009974.db2.gz PAUXQGINEIXBKG-RFBVYIQQSA-N 1 1 270.289 -0.393 20 5 CBBDMO CN1CCO[C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000331755627 204128164 /nfs/dbraw/zinc/12/81/64/204128164.db2.gz HOZBFMHIENUTSA-VXGBXAGGSA-N 1 1 281.316 -0.194 20 5 CBBDMO CN1CCO[C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000331755627 204128167 /nfs/dbraw/zinc/12/81/67/204128167.db2.gz HOZBFMHIENUTSA-VXGBXAGGSA-N 1 1 281.316 -0.194 20 5 CBBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]([NH3+])CC(N)=O ZINC000353440967 220083264 /nfs/dbraw/zinc/08/32/64/220083264.db2.gz OIJZSZQYEODUEP-VIFPVBQESA-N 1 1 296.283 -0.578 20 5 CBBDMO NC(=O)[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000269371633 372916821 /nfs/dbraw/zinc/91/68/21/372916821.db2.gz MLBUEQPXBWSFIE-ZETCQYMHSA-N 1 1 285.691 -0.093 20 5 CBBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285817223 372944357 /nfs/dbraw/zinc/94/43/57/372944357.db2.gz GPWVMDZOBSJADD-MRVPVSSYSA-N 1 1 282.304 -0.707 20 5 CBBDMO COC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000361636568 373321122 /nfs/dbraw/zinc/32/11/22/373321122.db2.gz IFRPLTLIAVRURD-PSASIEDQSA-N 1 1 286.288 -0.355 20 5 CBBDMO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000361636568 373321124 /nfs/dbraw/zinc/32/11/24/373321124.db2.gz IFRPLTLIAVRURD-PSASIEDQSA-N 1 1 286.288 -0.355 20 5 CBBDMO COCC[N@H+]1CC[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000264584179 190120507 /nfs/dbraw/zinc/12/05/07/190120507.db2.gz UZEKMAHBWWVKOM-JTQLQIEISA-N 1 1 297.315 -0.372 20 5 CBBDMO C[N@H+]1CC[C@@](O)(CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000357451132 248365022 /nfs/dbraw/zinc/36/50/22/248365022.db2.gz FTMUKDCJFXOPSC-GFCCVEGCSA-N 1 1 295.299 -0.433 20 5 CBBDMO O=C(Cn1ccc([N+](=O)[O-])n1)NCC[NH+]1CCSCC1 ZINC000264844472 190138266 /nfs/dbraw/zinc/13/82/66/190138266.db2.gz YGCNIWRIANSYIT-UHFFFAOYSA-N 1 1 299.356 -0.044 20 5 CBBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000278799874 194160329 /nfs/dbraw/zinc/16/03/29/194160329.db2.gz OOPSMFZSQKKHHL-SDDRHHMPSA-N 1 1 268.269 -0.334 20 5 CBBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000278799874 194160331 /nfs/dbraw/zinc/16/03/31/194160331.db2.gz OOPSMFZSQKKHHL-SDDRHHMPSA-N 1 1 268.269 -0.334 20 5 CBBDMO C[C@@H]1COCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266505584 190262071 /nfs/dbraw/zinc/26/20/71/190262071.db2.gz XMDMDWYNVNZPEV-KOLCDFICSA-N 1 1 270.289 -0.127 20 5 CBBDMO C[C@@H]1COCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266505584 190262072 /nfs/dbraw/zinc/26/20/72/190262072.db2.gz XMDMDWYNVNZPEV-KOLCDFICSA-N 1 1 270.289 -0.127 20 5 CBBDMO CO[C@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000267639536 190343331 /nfs/dbraw/zinc/34/33/31/190343331.db2.gz IKCQFSKWNDMRBJ-QWRGUYRKSA-N 1 1 270.289 -0.127 20 5 CBBDMO CO[C@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000267639534 190343531 /nfs/dbraw/zinc/34/35/31/190343531.db2.gz IKCQFSKWNDMRBJ-MNOVXSKESA-N 1 1 270.289 -0.127 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]2CCO)c1 ZINC000426257370 208044677 /nfs/dbraw/zinc/04/46/77/208044677.db2.gz VPZJLVZWIISJRA-CMPLNLGQSA-N 1 1 284.316 -0.001 20 5 CBBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+](CC)CCO)n1 ZINC000427687737 208068257 /nfs/dbraw/zinc/06/82/57/208068257.db2.gz ACEMBCXLQRWVKT-UHFFFAOYSA-N 1 1 299.331 -0.145 20 5 CBBDMO CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(N)=O ZINC000429128810 208109922 /nfs/dbraw/zinc/10/99/22/208109922.db2.gz CFYNKIIQYGRDJR-UHFFFAOYSA-N 1 1 282.300 -0.046 20 5 CBBDMO CCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(N)=O ZINC000429128810 208109928 /nfs/dbraw/zinc/10/99/28/208109928.db2.gz CFYNKIIQYGRDJR-UHFFFAOYSA-N 1 1 282.300 -0.046 20 5 CBBDMO CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCNC1=O ZINC000440964166 208348048 /nfs/dbraw/zinc/34/80/48/208348048.db2.gz NLPBFMHJEJIQKK-WDEREUQCSA-N 1 1 297.315 -0.637 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](CCO)C2CCC2)c1 ZINC000439270724 208321606 /nfs/dbraw/zinc/32/16/06/208321606.db2.gz HJLXUUOSSZNSAV-GFCCVEGCSA-N 1 1 284.316 -0.001 20 5 CBBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278659509 285165385 /nfs/dbraw/zinc/16/53/85/285165385.db2.gz HTICRBQHTSHOIZ-JLLWLGSASA-N 1 1 298.295 -0.628 20 5 CBBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)[C@@H]2C1 ZINC000285751243 196387925 /nfs/dbraw/zinc/38/79/25/196387925.db2.gz LMHDYKWURQAWEF-ZJUUUORDSA-N 1 1 295.299 -0.137 20 5 CBBDMO Nc1nc(NCC[NH+]2CCSCC2)ncc1[N+](=O)[O-] ZINC000352324131 419827406 /nfs/dbraw/zinc/82/74/06/419827406.db2.gz FHQRZDOAFKTWDX-UHFFFAOYSA-N 1 1 284.345 -0.150 20 5 CBBDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000364932885 420051289 /nfs/dbraw/zinc/05/12/89/420051289.db2.gz FOJZWLILKJADPY-VIFPVBQESA-N 1 1 297.315 -0.153 20 5 CBBDMO O=C1NC[C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CC[C@H]12 ZINC000368232768 420128130 /nfs/dbraw/zinc/12/81/30/420128130.db2.gz SYZIAYHVIBYADT-ONGXEEELSA-N 1 1 279.300 -0.141 20 5 CBBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCN3CCOC[C@@H]3C2)n1 ZINC000368834847 420145032 /nfs/dbraw/zinc/14/50/32/420145032.db2.gz POWISWZEWLFXQG-NSHDSACASA-N 1 1 281.316 -0.192 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H](N2CCOCC2)C1 ZINC000369686236 420164272 /nfs/dbraw/zinc/16/42/72/420164272.db2.gz HVOHYMXGZSGCPM-MXWKQRLJSA-N 1 1 269.301 -0.415 20 5 CBBDMO Cc1nn(C)c(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1[N+](=O)[O-] ZINC000405268951 420226035 /nfs/dbraw/zinc/22/60/35/420226035.db2.gz NNFNMGWPMSUWPV-VHSXEESVSA-N 1 1 281.316 -0.108 20 5 CBBDMO Cn1c(C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000405232266 420227418 /nfs/dbraw/zinc/22/74/18/420227418.db2.gz REUNRYRYSLCKPA-VHSXEESVSA-N 1 1 294.311 -0.176 20 5 CBBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000419007288 420244264 /nfs/dbraw/zinc/24/42/64/420244264.db2.gz RICBERHOTZAWQF-RKDXNWHRSA-N 1 1 296.331 -0.142 20 5 CBBDMO Nc1nc(NC[C@H]2CCC[N@H+]2CCCO)ncc1[N+](=O)[O-] ZINC000450600279 420299601 /nfs/dbraw/zinc/29/96/01/420299601.db2.gz VGTOFNJDQSSTFA-SECBINFHSA-N 1 1 296.331 -0.352 20 5 CBBDMO Nc1ccc(NCC[N@H+]2CC[C@H](O)C2)nc1[N+](=O)[O-] ZINC000599199658 420491816 /nfs/dbraw/zinc/49/18/16/420491816.db2.gz ORPFGUQNKZXXHQ-QMMMGPOBSA-N 1 1 267.289 0.051 20 5 CBBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH2+][C@H](C(N)=O)C1 ZINC000360879342 276709334 /nfs/dbraw/zinc/70/93/34/276709334.db2.gz FJDJMVXLMVKXLJ-QMMMGPOBSA-N 1 1 282.304 -0.617 20 5 CBBDMO CN1C(=O)N[C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000332259413 277017178 /nfs/dbraw/zinc/01/71/78/277017178.db2.gz UTNLCRUMHDLDGW-MNOVXSKESA-N 1 1 294.315 -0.111 20 5 CBBDMO CN1C(=O)N[C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000332259413 277017181 /nfs/dbraw/zinc/01/71/81/277017181.db2.gz UTNLCRUMHDLDGW-MNOVXSKESA-N 1 1 294.315 -0.111 20 5 CBBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[NH2+][C@H](C(N)=O)C1 ZINC000271616630 280664694 /nfs/dbraw/zinc/66/46/94/280664694.db2.gz VYRFGNOCJRVGFU-VIFPVBQESA-N 1 1 265.273 -0.438 20 5 CBBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000563645578 328080799 /nfs/dbraw/zinc/08/07/99/328080799.db2.gz FGGUXFZLCYBBMW-VIFPVBQESA-N 1 1 282.304 -0.261 20 5 CBBDMO C[NH+]1CCN(C(=O)CNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000728051142 582143176 /nfs/dbraw/zinc/14/31/76/582143176.db2.gz JHBMXKBRBLDMPZ-UHFFFAOYSA-N 1 1 295.303 -0.847 20 5 CBBDMO C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736866059 582224727 /nfs/dbraw/zinc/22/47/27/582224727.db2.gz CEOHDXBXTWPZTH-UHFFFAOYSA-N 1 1 290.287 -0.078 20 5 CBBDMO C[C@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000743272072 582276357 /nfs/dbraw/zinc/27/63/57/582276357.db2.gz MANSSKMJJGVFOF-JQWIXIFHSA-N 1 1 283.332 -0.212 20 5 CBBDMO C[C@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000743272072 582276358 /nfs/dbraw/zinc/27/63/58/582276358.db2.gz MANSSKMJJGVFOF-JQWIXIFHSA-N 1 1 283.332 -0.212 20 5 CBBDMO C[C@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000743272072 582276359 /nfs/dbraw/zinc/27/63/59/582276359.db2.gz MANSSKMJJGVFOF-JQWIXIFHSA-N 1 1 283.332 -0.212 20 5 CBBDMO C[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@@H+]1C ZINC000748346126 582287560 /nfs/dbraw/zinc/28/75/60/582287560.db2.gz AFSHLMJOUXVVSF-SECBINFHSA-N 1 1 267.289 -0.046 20 5 CBBDMO C[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@H+]1C ZINC000748346126 582287561 /nfs/dbraw/zinc/28/75/61/582287561.db2.gz AFSHLMJOUXVVSF-SECBINFHSA-N 1 1 267.289 -0.046 20 5 CBBDMO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(=O)NC ZINC000761656626 582316045 /nfs/dbraw/zinc/31/60/45/582316045.db2.gz KOSBJZWPHKULME-UHFFFAOYSA-N 1 1 282.300 -0.176 20 5 CBBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(=O)NC ZINC000761656626 582316046 /nfs/dbraw/zinc/31/60/46/582316046.db2.gz KOSBJZWPHKULME-UHFFFAOYSA-N 1 1 282.300 -0.176 20 5 CBBDMO NC(=O)[C@@]1(O)CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000788473212 582386127 /nfs/dbraw/zinc/38/61/27/582386127.db2.gz IDTPJSZXMPDCNK-DGCLKSJQSA-N 1 1 295.295 -0.450 20 5 CBBDMO C[C@@]1(C(N)=O)CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000794708478 582406752 /nfs/dbraw/zinc/40/67/52/582406752.db2.gz BRCDISTUFIIWQC-SNVBAGLBSA-N 1 1 253.262 -0.054 20 5 CBBDMO C[C@@]1(C(N)=O)CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000794708478 582406753 /nfs/dbraw/zinc/40/67/53/582406753.db2.gz BRCDISTUFIIWQC-SNVBAGLBSA-N 1 1 253.262 -0.054 20 5 CBBDMO NC(=O)[C@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000804338127 582429917 /nfs/dbraw/zinc/42/99/17/582429917.db2.gz UJTBXKZUQGUPAA-SSDOTTSWSA-N 1 1 295.255 -0.234 20 5 CBBDMO CCO[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C[NH+](C)C ZINC000831712745 582997037 /nfs/dbraw/zinc/99/70/37/582997037.db2.gz FJWTZVFEXBTSQS-IVZWLZJFSA-N 1 1 259.306 -0.266 20 5 CBBDMO CCO[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C[NH+](C)C ZINC000831712746 582997190 /nfs/dbraw/zinc/99/71/90/582997190.db2.gz FJWTZVFEXBTSQS-OPRDCNLKSA-N 1 1 259.306 -0.266 20 5 CBBDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC000839682805 583157740 /nfs/dbraw/zinc/15/77/40/583157740.db2.gz ISIWMHYSQCINBC-JHJVBQTASA-N 1 1 296.371 -0.110 20 5 CBBDMO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC000839682805 583157742 /nfs/dbraw/zinc/15/77/42/583157742.db2.gz ISIWMHYSQCINBC-JHJVBQTASA-N 1 1 296.371 -0.110 20 5 CBBDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC000839682805 583157745 /nfs/dbraw/zinc/15/77/45/583157745.db2.gz ISIWMHYSQCINBC-JHJVBQTASA-N 1 1 296.371 -0.110 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000839702496 583158213 /nfs/dbraw/zinc/15/82/13/583158213.db2.gz XICYSMDIZUPVRF-QJPTWQEYSA-N 1 1 283.328 -0.168 20 5 CBBDMO O=C(N[C@@H](CO)C[NH+]1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000840452967 583165017 /nfs/dbraw/zinc/16/50/17/583165017.db2.gz MBCZRMRJPVWNGZ-GMTAPVOTSA-N 1 1 271.317 -0.385 20 5 CBBDMO COC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000840500428 583165331 /nfs/dbraw/zinc/16/53/31/583165331.db2.gz WPEFRENJGYISBS-IVZWLZJFSA-N 1 1 285.300 -0.785 20 5 CBBDMO C[NH+]1CCN(C(=O)CNc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000853264563 583580959 /nfs/dbraw/zinc/58/09/59/583580959.db2.gz IETBCYPIYAMLBD-UHFFFAOYSA-N 1 1 295.299 -0.119 20 5 CBBDMO O=[N+]([O-])c1cnn(CCN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)c1 ZINC000880069252 584260324 /nfs/dbraw/zinc/26/03/24/584260324.db2.gz BCBOEYIUFYKVTR-WCQYABFASA-N 1 1 295.343 -0.068 20 5 CBBDMO CC[N@H+]1CC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000882486658 584318530 /nfs/dbraw/zinc/31/85/30/584318530.db2.gz UKVMTYQEZNTCCQ-SNVBAGLBSA-N 1 1 294.311 -0.033 20 5 CBBDMO CN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@@H+](C)CC1 ZINC000888982238 584511183 /nfs/dbraw/zinc/51/11/83/584511183.db2.gz KSHFRPPNOVEHKG-GHMZBOCLSA-N 1 1 270.333 -0.643 20 5 CBBDMO CN1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@H+](C)CC1 ZINC000888988309 584511866 /nfs/dbraw/zinc/51/18/66/584511866.db2.gz JTARYGMIUPYHMH-UHFFFAOYSA-N 1 1 296.331 -0.363 20 5 CBBDMO CN1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@@H+](C)CC1 ZINC000888988309 584511869 /nfs/dbraw/zinc/51/18/69/584511869.db2.gz JTARYGMIUPYHMH-UHFFFAOYSA-N 1 1 296.331 -0.363 20 5 CBBDMO Cn1ncc([N+](=O)[O-])c1NC[C@@H]1C[N@@H+](C)CCN1C ZINC000892467662 584617018 /nfs/dbraw/zinc/61/70/18/584617018.db2.gz KCARCXMSNOFGQK-SECBINFHSA-N 1 1 268.321 -0.014 20 5 CBBDMO Cn1ncc([N+](=O)[O-])c1NCC[N@H+]1CC[C@@H](O)C1 ZINC000894782787 584664374 /nfs/dbraw/zinc/66/43/74/584664374.db2.gz ZRORAGZNRIWIST-MRVPVSSYSA-N 1 1 255.278 -0.193 20 5 CBBDMO Cn1ncc([N+](=O)[O-])c1NCC[N@H+]1CC[C@H](O)C1 ZINC000894833816 584665499 /nfs/dbraw/zinc/66/54/99/584665499.db2.gz ZRORAGZNRIWIST-QMMMGPOBSA-N 1 1 255.278 -0.193 20 5 CBBDMO C[C@@H]1[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[N@H+]1C ZINC000928447577 659023371 /nfs/dbraw/zinc/02/33/71/659023371.db2.gz KZNJUUDLIITELC-KOLCDFICSA-N 1 1 294.311 -0.035 20 5 CBBDMO O=[N+]([O-])c1ccc(C[NH2+]C(CO)CO)c([N+](=O)[O-])c1 ZINC000090359877 656057187 /nfs/dbraw/zinc/05/71/87/656057187.db2.gz HZUYKAUQRUEPED-UHFFFAOYSA-N 1 1 271.229 -0.054 20 5 CBBDMO O=C(NCC1CC[NH+](CCCO)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001001398432 656809886 /nfs/dbraw/zinc/80/98/86/656809886.db2.gz DWMJHYKDNOBXMX-VXGBXAGGSA-N 1 1 285.344 -0.138 20 5 CBBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC[NH+](CCO)CC1 ZINC001005382247 656899838 /nfs/dbraw/zinc/89/98/38/656899838.db2.gz OUEPLZNEBYQTIA-GHMZBOCLSA-N 1 1 271.317 -0.433 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000923331670 658213854 /nfs/dbraw/zinc/21/38/54/658213854.db2.gz MQHMXNHAXGKDQY-STQMWFEESA-N 1 1 295.343 -0.162 20 5 CBBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928563818 659044922 /nfs/dbraw/zinc/04/49/22/659044922.db2.gz SKEKOPRGDJKZQU-VIFPVBQESA-N 1 1 267.289 -0.080 20 5 CBBDMO CCN1C(=O)[C@@H]2C[N@H+](CC[N+](=O)[O-])CCN2C1=O ZINC000929809479 659176566 /nfs/dbraw/zinc/17/65/66/659176566.db2.gz KSZWMAABWJTQFU-QMMMGPOBSA-N 1 1 256.262 -0.769 20 5 CBBDMO CCN1C(=O)[C@@H]2C[N@@H+](CC[N+](=O)[O-])CCN2C1=O ZINC000929809479 659176570 /nfs/dbraw/zinc/17/65/70/659176570.db2.gz KSZWMAABWJTQFU-QMMMGPOBSA-N 1 1 256.262 -0.769 20 5 CBBDMO CN(C)[C@@H]1[C@H]2C[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000931279878 659425129 /nfs/dbraw/zinc/42/51/29/659425129.db2.gz RLGCEEPHFMHJEP-WUHRBBMRSA-N 1 1 295.343 -0.356 20 5 CBBDMO CN(C)[C@@H]1[C@H]2C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000931279878 659425145 /nfs/dbraw/zinc/42/51/45/659425145.db2.gz RLGCEEPHFMHJEP-WUHRBBMRSA-N 1 1 295.343 -0.356 20 5 CBBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000931394957 659443278 /nfs/dbraw/zinc/44/32/78/659443278.db2.gz JHLYBEKAZCKSPJ-NTZNESFSSA-N 1 1 295.343 -0.069 20 5 CBBDMO COc1nc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164667108 719368735 /nfs/dbraw/zinc/36/87/35/719368735.db2.gz IBYMRGQTPSWDLP-NXEZZACHSA-N 1 1 295.299 -0.087 20 5 CBBDMO C[N@H+]1CCO[C@@H]2CN(c3cc([N+](=O)[O-])cc[n+]3[O-])C[C@H]21 ZINC001164672010 719370829 /nfs/dbraw/zinc/37/08/29/719370829.db2.gz XXMQVJFCOCXTHX-GHMZBOCLSA-N 1 1 280.284 -0.253 20 5 CBBDMO COc1ncnc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1[N+](=O)[O-] ZINC001164668471 719394162 /nfs/dbraw/zinc/39/41/62/719394162.db2.gz RTOJSIBSYSFHIA-BDAKNGLRSA-N 1 1 295.299 -0.087 20 5 CBBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@H+](C)[C@@H](CO)C1 ZINC000687591236 790654113 /nfs/dbraw/zinc/65/41/13/790654113.db2.gz VHXYEQALXIIYKC-LLVKDONJSA-N 1 1 283.332 -0.292 20 5 CBBDMO NC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001034643412 799849808 /nfs/dbraw/zinc/84/98/08/799849808.db2.gz OJAPHIBJMAJIEX-ZYUZMQFOSA-N 1 1 284.316 -0.846 20 5 CBBDMO CC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055575285 802400068 /nfs/dbraw/zinc/40/00/68/802400068.db2.gz QBRDLPNKPMFSRQ-VXGBXAGGSA-N 1 1 298.343 -0.632 20 5 CBBDMO NC(=O)C[C@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001323419341 804024727 /nfs/dbraw/zinc/02/47/27/804024727.db2.gz PELVHHJSYUFTEA-KOLCDFICSA-N 1 1 297.315 -0.651 20 5 CBBDMO NC(=O)C[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001323419343 804025279 /nfs/dbraw/zinc/02/52/79/804025279.db2.gz PELVHHJSYUFTEA-ONGXEEELSA-N 1 1 297.315 -0.651 20 5 CBBDMO COc1ncnc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)c1[N+](=O)[O-] ZINC001155570007 815293040 /nfs/dbraw/zinc/29/30/40/815293040.db2.gz JQBGEAZBGCLIRZ-KGFZYKRKSA-N 1 1 294.271 -0.617 20 5 CBBDMO Cc1nc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)ncc1[N+](=O)[O-] ZINC001155578823 815298041 /nfs/dbraw/zinc/29/80/41/815298041.db2.gz BWAYSKURSDVBAJ-GZMMTYOYSA-N 1 1 278.272 -0.317 20 5 CBBDMO CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001087257060 810291459 /nfs/dbraw/zinc/29/14/59/810291459.db2.gz YBMMAYQYZSZCKY-RKDXNWHRSA-N 1 1 295.299 -0.427 20 5 CBBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1cnc(C[NH3+])cc1=N ZINC001156624693 815369710 /nfs/dbraw/zinc/36/97/10/815369710.db2.gz XDZCQFHWANADPA-UHFFFAOYSA-N 1 1 276.256 -0.340 20 5 CBBDMO Cc1cc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])nn1C ZINC001157767472 815462897 /nfs/dbraw/zinc/46/28/97/815462897.db2.gz NYASCVFPSTVWOU-VXGBXAGGSA-N 1 1 295.343 -0.010 20 5 CBBDMO O=C(C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])N1CCCC1 ZINC001157760282 815463009 /nfs/dbraw/zinc/46/30/09/815463009.db2.gz AKHVTWUOQFJJLQ-GHMZBOCLSA-N 1 1 298.343 -0.630 20 5 CBBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC001116148009 812226201 /nfs/dbraw/zinc/22/62/01/812226201.db2.gz WKIGEMIOICBURC-JTQLQIEISA-N 1 1 296.331 -0.014 20 5 CBBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001117737925 812441270 /nfs/dbraw/zinc/44/12/70/812441270.db2.gz XUVQGWJHZHOZTB-BDAKNGLRSA-N 1 1 295.299 -0.401 20 5 CBBDMO COCC(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001122316267 813144814 /nfs/dbraw/zinc/14/48/14/813144814.db2.gz GKLQPFSLQRARGN-UHFFFAOYSA-N 1 1 271.277 -0.820 20 5 CBBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@@H](N)CCC[NH3+] ZINC001159787062 815596441 /nfs/dbraw/zinc/59/64/41/815596441.db2.gz QODMCYOQNKOMKI-SECBINFHSA-N 1 1 255.278 -0.028 20 5 CBBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1ccn[nH]1 ZINC001123891227 813288871 /nfs/dbraw/zinc/28/88/71/813288871.db2.gz KWOCGGCSDFHZKK-UHFFFAOYSA-N 1 1 293.287 -0.429 20 5 CBBDMO Cc1nn(C)cc1C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126936423 813696529 /nfs/dbraw/zinc/69/65/29/813696529.db2.gz GZGKBUFUASTDKO-GHMZBOCLSA-N 1 1 281.316 -0.400 20 5 CBBDMO O=C(NCC[NH2+]CCn1cccn1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936262 813697511 /nfs/dbraw/zinc/69/75/11/813697511.db2.gz DERLPZYHZSINKV-NXEZZACHSA-N 1 1 267.289 -0.746 20 5 CBBDMO O=C(NCC[NH2+]CCOC1CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936399 813697568 /nfs/dbraw/zinc/69/75/68/813697568.db2.gz FXTBWOAPGYEVFO-GHMZBOCLSA-N 1 1 271.317 -0.074 20 5 CBBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])[C@H](C)C1 ZINC001138702009 814613604 /nfs/dbraw/zinc/61/36/04/814613604.db2.gz DJUYKIQLHZKMBQ-BDAKNGLRSA-N 1 1 297.315 -0.155 20 5 CBBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])[C@H](C)C1 ZINC001138702009 814613606 /nfs/dbraw/zinc/61/36/06/814613606.db2.gz DJUYKIQLHZKMBQ-BDAKNGLRSA-N 1 1 297.315 -0.155 20 5 CBBDMO [NH3+][C@@H]1NCN(c2ncc([N+](=O)[O-])cc2Cl)[C@H]2NCN[C@H]21 ZINC001162435135 815815825 /nfs/dbraw/zinc/81/58/25/815815825.db2.gz BBDIUJFEBXGYTQ-QXFUBDJGSA-N 1 1 299.722 -0.860 20 5 CBBDMO [NH3+][C@@H]1NCN(c2cc([N+](=O)[O-])cc(Cl)n2)[C@H]2NCN[C@@H]21 ZINC001162436691 815817391 /nfs/dbraw/zinc/81/73/91/815817391.db2.gz OWGMYJKEQHUAMN-OPRDCNLKSA-N 1 1 299.722 -0.860 20 5 CBBDMO Cc1c(C)c(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)ncc1[N+](=O)[O-] ZINC001162438808 815821402 /nfs/dbraw/zinc/82/14/02/815821402.db2.gz HVXZSJWFYIITPF-JFGNBEQYSA-N 1 1 293.331 -0.896 20 5 CBBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC001302343467 816754006 /nfs/dbraw/zinc/75/40/06/816754006.db2.gz MIMBPHMEWFKHPV-JTQLQIEISA-N 1 1 297.315 -0.765 20 5 CBBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC001302343467 816754010 /nfs/dbraw/zinc/75/40/10/816754010.db2.gz MIMBPHMEWFKHPV-JTQLQIEISA-N 1 1 297.315 -0.765 20 5 CBBDMO Nc1nc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)ncc1[N+](=O)[O-] ZINC001307200273 816798205 /nfs/dbraw/zinc/79/82/05/816798205.db2.gz JHGRPXJYZOQFAA-DTWKUNHWSA-N 1 1 294.315 -0.388 20 5 CBBDMO CCN(CC[NH2+]CC(=O)N(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001320735169 817383020 /nfs/dbraw/zinc/38/30/20/817383020.db2.gz UPLXZCVPOOZAML-NXEZZACHSA-N 1 1 286.332 -0.822 20 5 CBBDMO O=C(NCCC1(C[NH2+]CCCO)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001164494813 819916013 /nfs/dbraw/zinc/91/60/13/819916013.db2.gz UEFSUJJCFCPAQQ-GHMZBOCLSA-N 1 1 285.344 -0.090 20 5 CBBDMO COc1nc(-n2cnc(C[NH3+])cc2=N)nc(C)c1[N+](=O)[O-] ZINC001167351395 820083753 /nfs/dbraw/zinc/08/37/53/820083753.db2.gz QXZWWLDMHCEJMG-UHFFFAOYSA-N 1 1 291.271 -0.174 20 5 CBBDMO C[NH+]1CCN(C(=N)Nc2c(F)c([N+](=O)[O-])cc[n+]2[O-])CC1 ZINC001168735188 820170171 /nfs/dbraw/zinc/17/01/71/820170171.db2.gz JSIRJTGHRWOVAN-UHFFFAOYSA-N 1 1 298.278 -0.039 20 5 CBBDMO COC(=O)c1cc([N+](=O)[O-])ncc1-n1cnc(C[NH3+])n1 ZINC001168757248 820178400 /nfs/dbraw/zinc/17/84/00/820178400.db2.gz UDZFZAOJBCYWLG-UHFFFAOYSA-N 1 1 278.228 -0.184 20 5 CBBDMO NCc1nnnn1-c1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001168920401 820190938 /nfs/dbraw/zinc/19/09/38/820190938.db2.gz PUPBIPQLHRKJLY-UHFFFAOYSA-N 1 1 261.245 -0.368 20 5 CBBDMO NC(=O)[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCO1 ZINC001169040200 820201396 /nfs/dbraw/zinc/20/13/96/820201396.db2.gz YRALAMBUAXGTTR-BBBLOLIVSA-N 1 1 257.290 -0.382 20 5 CBBDMO NC(=O)[C@@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCO1 ZINC001169040199 820201936 /nfs/dbraw/zinc/20/19/36/820201936.db2.gz YRALAMBUAXGTTR-AEJSXWLSSA-N 1 1 257.290 -0.382 20 5 CBBDMO COc1ncc([N+](=O)[O-])c(N[C@H](N)CCC[NH3+])n1 ZINC001170896909 820333105 /nfs/dbraw/zinc/33/31/05/820333105.db2.gz BJVKGPFOOIDYIO-ZETCQYMHSA-N 1 1 256.266 -0.171 20 5 CBBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](CO)[C@H]2CO)n1 ZINC001174992821 820419980 /nfs/dbraw/zinc/41/99/80/820419980.db2.gz BBBXJTUVYRMLEK-WDEREUQCSA-N 1 1 284.316 -0.144 20 5 CBBDMO CN1C(=O)[C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)C[C@H]2C1=O ZINC001175436116 820426762 /nfs/dbraw/zinc/42/67/62/820426762.db2.gz GFBVJAOSFZFJIR-AOOOYVTPSA-N 1 1 293.283 -0.662 20 5 CBBDMO CN(CC[N@@H+](C)CCO)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC001187035152 821210366 /nfs/dbraw/zinc/21/03/66/821210366.db2.gz SDAUEXDFKUGNGU-UHFFFAOYSA-N 1 1 297.315 -0.551 20 5 CBBDMO CNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001205223821 824376390 /nfs/dbraw/zinc/37/63/90/824376390.db2.gz JMLGKMHIKAMIAG-GHMZBOCLSA-N 1 1 298.343 -0.774 20 5 CBBDMO C[N@H+](CCNS(C)(=O)=O)CCn1ccc([N+](=O)[O-])n1 ZINC001252578206 825876945 /nfs/dbraw/zinc/87/69/45/825876945.db2.gz JECPZLPSKQRQQC-UHFFFAOYSA-N 1 1 291.333 -0.728 20 5 CBBDMO C[N@@H+](CCNS(C)(=O)=O)CCn1ccc([N+](=O)[O-])n1 ZINC001252578206 825876954 /nfs/dbraw/zinc/87/69/54/825876954.db2.gz JECPZLPSKQRQQC-UHFFFAOYSA-N 1 1 291.333 -0.728 20 5 CBBDMO Cn1cc([N+](=O)[O-])c(C(=O)NCC[NH+]2CC=CC2)n1 ZINC001254103990 825942837 /nfs/dbraw/zinc/94/28/37/825942837.db2.gz BSXVWVPONQIBFR-UHFFFAOYSA-N 1 1 265.273 -0.070 20 5 CBBDMO O=C(NCC[N@H+](CCO)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266591962 827028248 /nfs/dbraw/zinc/02/82/48/827028248.db2.gz DMCPFNDCRFZPFC-NXEZZACHSA-N 1 1 257.290 -0.776 20 5 CBBDMO O=C(NCC[N@@H+](CCO)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001266591962 827028258 /nfs/dbraw/zinc/02/82/58/827028258.db2.gz DMCPFNDCRFZPFC-NXEZZACHSA-N 1 1 257.290 -0.776 20 5 CBBDMO O=C(NCC[N@H+](CCO)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001266591962 827028269 /nfs/dbraw/zinc/02/82/69/827028269.db2.gz DMCPFNDCRFZPFC-NXEZZACHSA-N 1 1 257.290 -0.776 20 5 CBBDMO CN(CC[NH2+]CC(=O)NCC1CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001266696863 827053570 /nfs/dbraw/zinc/05/35/70/827053570.db2.gz UWUXNLADMJNNDY-GHMZBOCLSA-N 1 1 298.343 -0.774 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC=C[C@@H]2CO)c1 ZINC001175678146 884695043 /nfs/dbraw/zinc/69/50/43/884695043.db2.gz MLDUXHNVKMTHGO-MWLCHTKSSA-N 1 1 268.273 -0.615 20 5 CBBDMO NC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001178458336 884707236 /nfs/dbraw/zinc/70/72/36/884707236.db2.gz BGDWOGDJCAIKQO-NXEZZACHSA-N 1 1 286.332 -0.597 20 5 CBBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC001329111509 885932759 /nfs/dbraw/zinc/93/27/59/885932759.db2.gz RORDOGYCJGSCEH-MRVPVSSYSA-N 1 1 283.288 -0.875 20 5 CBBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC001329925437 886284015 /nfs/dbraw/zinc/28/40/15/886284015.db2.gz QGVCGHOWLOEPRP-DTWKUNHWSA-N 1 1 295.299 -0.781 20 5 CBBDMO Cc1nc(NCC(=O)N2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC001333650873 887734775 /nfs/dbraw/zinc/73/47/75/887734775.db2.gz NZPRBQJCKBAVSR-UHFFFAOYSA-N 1 1 294.315 -0.121 20 5 CBBDMO C[NH+]1CC(N2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])CC2)C1 ZINC001347771563 890515188 /nfs/dbraw/zinc/51/51/88/890515188.db2.gz AZXXBVPSUXBMIQ-UHFFFAOYSA-N 1 1 294.315 -0.610 20 5 CBBDMO C[NH+](C)CCC(=O)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001357808283 891937476 /nfs/dbraw/zinc/93/74/76/891937476.db2.gz JVKOHCYZLIATMR-YIZUVKHSSA-N 1 1 298.343 -0.608 20 5 CBBDMO NC(=O)c1cc(N2CC([NH2+]C3COC3)C2)ccc1[N+](=O)[O-] ZINC001458644817 914668452 /nfs/dbraw/zinc/66/84/52/914668452.db2.gz YLQOPUZYRODBSR-UHFFFAOYSA-N 1 1 292.295 -0.129 20 5 CBBDMO C[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@@H+]1C ZINC001465102573 915037141 /nfs/dbraw/zinc/03/71/41/915037141.db2.gz JZSXFHHEOWKLDC-QMMMGPOBSA-N 1 1 268.277 -0.651 20 5 CBBDMO C[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@H+]1C ZINC001465102573 915037160 /nfs/dbraw/zinc/03/71/60/915037160.db2.gz JZSXFHHEOWKLDC-QMMMGPOBSA-N 1 1 268.277 -0.651 20 5 CBBDMO O=[N+]([O-])c1cnc(NC[C@]2(CO)COCC[NH2+]2)c(F)c1 ZINC001472866985 915775973 /nfs/dbraw/zinc/77/59/73/915775973.db2.gz BMWKRHVRIREFIW-NSHDSACASA-N 1 1 286.263 -0.108 20 5 CBBDMO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C(C)(C)C(N)=O ZINC001473500655 915818298 /nfs/dbraw/zinc/81/82/98/915818298.db2.gz IISWKYQXWNLUDT-UHFFFAOYSA-N 1 1 282.300 -0.048 20 5 CBBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C(C)(C)C(N)=O ZINC001473500655 915818308 /nfs/dbraw/zinc/81/83/08/915818308.db2.gz IISWKYQXWNLUDT-UHFFFAOYSA-N 1 1 282.300 -0.048 20 5 CBBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@H](O)[C@H](CO)C1 ZINC001473538951 915833698 /nfs/dbraw/zinc/83/36/98/915833698.db2.gz ZVCKJVAZXZSONQ-ONGXEEELSA-N 1 1 283.284 -0.959 20 5 CBBDMO C[C@@H]1CC[C@H](O)C[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001473744992 915853330 /nfs/dbraw/zinc/85/33/30/915853330.db2.gz GUZLEQVTWZYVGV-USWWRNFRSA-N 1 1 284.316 -0.003 20 5 CBBDMO O=[N+]([O-])c1ccn(CC[N@H+]2C[C@H](CO)[C@H](CCO)C2)n1 ZINC001473894437 915881738 /nfs/dbraw/zinc/88/17/38/915881738.db2.gz XVNRYOPLHSHSJB-GHMZBOCLSA-N 1 1 284.316 -0.286 20 5 CBBDMO Cn1cc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001483008422 917375009 /nfs/dbraw/zinc/37/50/09/917375009.db2.gz VUJPPUMCNKTCHS-JDEDCZITSA-N 1 1 293.327 -0.153 20 5 CBBDMO CCOCC[NH+]1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001494553165 919730017 /nfs/dbraw/zinc/73/00/17/919730017.db2.gz OFVUVMCYKULPEE-GHMZBOCLSA-N 1 1 271.317 -0.264 20 5 CBBDMO C[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC001544139076 923301185 /nfs/dbraw/zinc/30/11/85/923301185.db2.gz JHNYCYIFKPTNEV-WCBMZHEXSA-N 1 1 296.331 -0.318 20 5 CBBDMO C[N@@H+](CCOCCO)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000337487390 214115534 /nfs/dbraw/zinc/11/55/34/214115534.db2.gz JHHCGEQRHZFULV-NSHDSACASA-N 1 1 288.304 -0.907 20 5 CBBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC(C)(CO)CO ZINC000269255567 529939656 /nfs/dbraw/zinc/93/96/56/529939656.db2.gz CZRIAVZXZNUQPQ-UHFFFAOYSA-N 1 1 272.305 -0.286 20 5 CBBDMO CCc1n[nH]c(C(=O)NCC[N@@H+](CC)CCO)c1[N+](=O)[O-] ZINC000274505972 352539171 /nfs/dbraw/zinc/53/91/71/352539171.db2.gz GDPSHPDEZYZLJY-UHFFFAOYSA-N 1 1 299.331 -0.076 20 5 CBBDMO NC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[NH2+]1 ZINC000014300856 351340839 /nfs/dbraw/zinc/34/08/39/351340839.db2.gz HJRNKNFQCYUUSJ-MRVPVSSYSA-N 1 1 295.255 -0.234 20 5 CBBDMO Cn1cnc([N+](=O)[O-])c1N1CC[NH+](CCO)CC1 ZINC000040419696 351415227 /nfs/dbraw/zinc/41/52/27/351415227.db2.gz AEXNNLGOAOCDSK-UHFFFAOYSA-N 1 1 255.278 -0.557 20 5 CBBDMO NC(=O)c1ccc(C[NH+](CCO)CCO)c([N+](=O)[O-])c1 ZINC000050103370 351500080 /nfs/dbraw/zinc/50/00/80/351500080.db2.gz IMNUZZQENAUGPU-UHFFFAOYSA-N 1 1 283.284 -0.520 20 5 CBBDMO CC(C)[N@H+](CC(N)=O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075611833 351668664 /nfs/dbraw/zinc/66/86/64/351668664.db2.gz XDNRFQSHILCMKE-SNVBAGLBSA-N 1 1 285.304 -0.652 20 5 CBBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000129221850 351869908 /nfs/dbraw/zinc/86/99/08/351869908.db2.gz TZHOLYBXLHOETC-SECBINFHSA-N 1 1 297.315 -0.153 20 5 CBBDMO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000174701836 352049783 /nfs/dbraw/zinc/04/97/83/352049783.db2.gz DBILEVYEHUGMJI-KOLCDFICSA-N 1 1 270.289 -0.127 20 5 CBBDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000174701836 352049786 /nfs/dbraw/zinc/04/97/86/352049786.db2.gz DBILEVYEHUGMJI-KOLCDFICSA-N 1 1 270.289 -0.127 20 5 CBBDMO CCN1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174646079 352049967 /nfs/dbraw/zinc/04/99/67/352049967.db2.gz SGSIOASESQLBHR-LBPRGKRZSA-N 1 1 283.332 -0.210 20 5 CBBDMO C[N@H+]1CC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000171768758 352017160 /nfs/dbraw/zinc/01/71/60/352017160.db2.gz NDEYDMZAXDBXPW-SECBINFHSA-N 1 1 267.289 -0.141 20 5 CBBDMO COCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184211710 352112136 /nfs/dbraw/zinc/11/21/36/352112136.db2.gz PZAIQSRNKKRMJB-UHFFFAOYSA-N 1 1 297.315 -0.120 20 5 CBBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@H](O)C[C@@H]2CO)n1 ZINC000185175823 352116623 /nfs/dbraw/zinc/11/66/23/352116623.db2.gz LJWMXKDUIBZBJP-RKDXNWHRSA-N 1 1 256.262 -0.781 20 5 CBBDMO [NH3+]CC(F)(F)CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000190216531 352178974 /nfs/dbraw/zinc/17/89/74/352178974.db2.gz DKODFPFSTGTACS-UHFFFAOYSA-N 1 1 263.204 -0.499 20 5 CBBDMO [NH3+]CC(F)(F)CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000190314855 352179255 /nfs/dbraw/zinc/17/92/55/352179255.db2.gz AUPJDOIOAPZEAL-UHFFFAOYSA-N 1 1 277.231 -0.108 20 5 CBBDMO CN1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O ZINC000191135599 352187506 /nfs/dbraw/zinc/18/75/06/352187506.db2.gz OQJLGTCVVZHCMG-NSHDSACASA-N 1 1 297.315 -0.684 20 5 CBBDMO CN1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O ZINC000191135599 352187509 /nfs/dbraw/zinc/18/75/09/352187509.db2.gz OQJLGTCVVZHCMG-NSHDSACASA-N 1 1 297.315 -0.684 20 5 CBBDMO C[C@H](O)[C@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000248602164 352353629 /nfs/dbraw/zinc/35/36/29/352353629.db2.gz URSZEJVXCWYOGT-JBLDHEPKSA-N 1 1 284.316 -0.145 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCC[C@H]2CO)c1 ZINC000247450799 352346751 /nfs/dbraw/zinc/34/67/51/352346751.db2.gz HLLCNTBHELPHFV-JQWIXIFHSA-N 1 1 284.316 -0.001 20 5 CBBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1CO ZINC000248910798 352357301 /nfs/dbraw/zinc/35/73/01/352357301.db2.gz IXPSBSOCJWHIOH-JLLWLGSASA-N 1 1 284.316 -0.145 20 5 CBBDMO C[C@@]1(C(N)=O)CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000280676929 352595882 /nfs/dbraw/zinc/59/58/82/352595882.db2.gz GIMXGGPDVFKEOQ-CYBMUJFWSA-N 1 1 294.311 -0.046 20 5 CBBDMO C[C@]1(C(N)=O)CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000280676933 352595986 /nfs/dbraw/zinc/59/59/86/352595986.db2.gz GIMXGGPDVFKEOQ-ZDUSSCGKSA-N 1 1 294.311 -0.046 20 5 CBBDMO C[N@@H+](CCOCCO)CCn1cc([N+](=O)[O-])cn1 ZINC000282492569 352606863 /nfs/dbraw/zinc/60/68/63/352606863.db2.gz NBRSLDQOOAZUJC-UHFFFAOYSA-N 1 1 258.278 -0.268 20 5 CBBDMO Cn1ncc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)n1 ZINC000293163439 352689504 /nfs/dbraw/zinc/68/95/04/352689504.db2.gz FUBIIGMUGWDTKJ-UHFFFAOYSA-N 1 1 251.250 -0.290 20 5 CBBDMO O=C(N[C@@H]1CCC[N@H+](CCCO)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000295492127 352706254 /nfs/dbraw/zinc/70/62/54/352706254.db2.gz OQJLZTJYLVXWJY-SECBINFHSA-N 1 1 297.315 -0.106 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@@H](F)C[C@H]2CO)c1 ZINC000330557257 352847714 /nfs/dbraw/zinc/84/77/14/352847714.db2.gz HVPIISYFOIASRF-ATZCPNFKSA-N 1 1 288.279 -0.443 20 5 CBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@@H](F)C[C@H]2CO)c1 ZINC000330557257 352847718 /nfs/dbraw/zinc/84/77/18/352847718.db2.gz HVPIISYFOIASRF-ATZCPNFKSA-N 1 1 288.279 -0.443 20 5 CBBDMO C[C@@H]1C[N@@H+](C)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331256446 352897163 /nfs/dbraw/zinc/89/71/63/352897163.db2.gz WKMZPVSXSYSIOG-ZYHUDNBSSA-N 1 1 283.332 -0.212 20 5 CBBDMO C[C@@H]1CN(C)CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331256446 352897168 /nfs/dbraw/zinc/89/71/68/352897168.db2.gz WKMZPVSXSYSIOG-ZYHUDNBSSA-N 1 1 283.332 -0.212 20 5 CBBDMO C[C@@H]1CN(C)CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331256446 352897170 /nfs/dbraw/zinc/89/71/70/352897170.db2.gz WKMZPVSXSYSIOG-ZYHUDNBSSA-N 1 1 283.332 -0.212 20 5 CBBDMO C[NH+]1CCN(C(=O)Cn2nccc2[N+](=O)[O-])CC1 ZINC000340674215 353182167 /nfs/dbraw/zinc/18/21/67/353182167.db2.gz HESUINODMLTEMV-UHFFFAOYSA-N 1 1 253.262 -0.435 20 5 CBBDMO C[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)[N@@H+](C)C1CC1 ZINC000340724040 353183451 /nfs/dbraw/zinc/18/34/51/353183451.db2.gz PPXWZHLZBHWOAK-MRVPVSSYSA-N 1 1 282.304 -0.215 20 5 CBBDMO CC[N@@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000345804525 353349324 /nfs/dbraw/zinc/34/93/24/353349324.db2.gz AVHWWTMBGWGHKT-UHFFFAOYSA-N 1 1 270.289 -0.033 20 5 CBBDMO CN(C)C(=O)NCC[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000348917685 353441109 /nfs/dbraw/zinc/44/11/09/353441109.db2.gz JHTIHBAOAOKHJP-UHFFFAOYSA-N 1 1 284.320 -0.006 20 5 CBBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCC[C@@H]1O ZINC000352661010 353499821 /nfs/dbraw/zinc/49/98/21/353499821.db2.gz QEMYBLCNIUGYTB-SRVKXCTJSA-N 1 1 284.316 -0.003 20 5 CBBDMO C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000371649933 353704765 /nfs/dbraw/zinc/70/47/65/353704765.db2.gz KTKPDLHESFBBHU-BBBLOLIVSA-N 1 1 257.290 -0.559 20 5 CBBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000408111961 353851708 /nfs/dbraw/zinc/85/17/08/353851708.db2.gz GRKCNYRNRMDJBR-MRVPVSSYSA-N 1 1 268.277 -0.651 20 5 CBBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000408111961 353851711 /nfs/dbraw/zinc/85/17/11/353851711.db2.gz GRKCNYRNRMDJBR-MRVPVSSYSA-N 1 1 268.277 -0.651 20 5 CBBDMO C[N@@H+]1C[C@H]2CN(C(=O)Cn3cnc([N+](=O)[O-])n3)C[C@H]2C1 ZINC000408375972 353906643 /nfs/dbraw/zinc/90/66/43/353906643.db2.gz VNJXPGNVFSXYOU-DTORHVGOSA-N 1 1 280.288 -0.794 20 5 CBBDMO C[C@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[N@@H+]1CCO ZINC000490030609 354437796 /nfs/dbraw/zinc/43/77/96/354437796.db2.gz YPGFAZWYGBXZFR-VIFPVBQESA-N 1 1 269.305 -0.169 20 5 CBBDMO C[C@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[N@H+]1CCO ZINC000490030609 354437798 /nfs/dbraw/zinc/43/77/98/354437798.db2.gz YPGFAZWYGBXZFR-VIFPVBQESA-N 1 1 269.305 -0.169 20 5 CBBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000547294431 354657483 /nfs/dbraw/zinc/65/74/83/354657483.db2.gz ORPZCAQVPXIFJZ-GFCCVEGCSA-N 1 1 282.300 -0.270 20 5 CBBDMO C[C@]1(F)C[NH2+]CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000573803533 354921680 /nfs/dbraw/zinc/92/16/80/354921680.db2.gz AKHBFWKOGYQQML-NSHDSACASA-N 1 1 285.279 -0.049 20 5 CBBDMO CC(=O)NCC[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000583498102 355018116 /nfs/dbraw/zinc/01/81/16/355018116.db2.gz YIOSGBSMEUGQGS-UHFFFAOYSA-N 1 1 255.278 -0.141 20 5 CBBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)n1 ZINC000590005375 355072955 /nfs/dbraw/zinc/07/29/55/355072955.db2.gz FBVGFXSJTPTYNV-MYJAWHEDSA-N 1 1 252.274 -0.039 20 5 CBBDMO CC1(C(N)=O)C[NH+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000592136148 355133972 /nfs/dbraw/zinc/13/39/72/355133972.db2.gz IIAVFDFHZWWMSF-UHFFFAOYSA-N 1 1 253.262 -0.402 20 5 CBBDMO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1n[nH]cc1[N+](=O)[O-] ZINC000592338208 355148873 /nfs/dbraw/zinc/14/88/73/355148873.db2.gz RDUGLBVGNLSPLX-WDSKDSINSA-N 1 1 257.225 -0.252 20 5 CBBDMO COC[C@@H]1C[C@@H](O)C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000593062169 355191925 /nfs/dbraw/zinc/19/19/25/355191925.db2.gz AXGGBUSAARXHSC-NWDGAFQWSA-N 1 1 297.311 -0.162 20 5 CBBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593853872 355223044 /nfs/dbraw/zinc/22/30/44/355223044.db2.gz HAKZSOVUBKOUFF-SNVBAGLBSA-N 1 1 295.299 -0.931 20 5 CBBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593853872 355223048 /nfs/dbraw/zinc/22/30/48/355223048.db2.gz HAKZSOVUBKOUFF-SNVBAGLBSA-N 1 1 295.299 -0.931 20 5 CBBDMO C[C@H](O)C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000594064168 355236230 /nfs/dbraw/zinc/23/62/30/355236230.db2.gz KZRRLDACWPUBBA-CABZTGNLSA-N 1 1 284.316 -0.003 20 5 CBBDMO Cc1n[nH]c(C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1[N+](=O)[O-] ZINC000594391626 355245008 /nfs/dbraw/zinc/24/50/08/355245008.db2.gz AURQYWGLZNVXFG-DTWKUNHWSA-N 1 1 295.299 -0.483 20 5 CBBDMO Cc1[nH]nc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1[N+](=O)[O-] ZINC000594391626 355245013 /nfs/dbraw/zinc/24/50/13/355245013.db2.gz AURQYWGLZNVXFG-DTWKUNHWSA-N 1 1 295.299 -0.483 20 5 CBBDMO Cc1[nH]nc(C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1[N+](=O)[O-] ZINC000594391626 355245016 /nfs/dbraw/zinc/24/50/16/355245016.db2.gz AURQYWGLZNVXFG-DTWKUNHWSA-N 1 1 295.299 -0.483 20 5 CBBDMO C[C@@H]1C[NH2+]CCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599097900 355463662 /nfs/dbraw/zinc/46/36/62/355463662.db2.gz MTDSNKKRHKCCGR-SSDOTTSWSA-N 1 1 289.317 -0.689 20 5 CBBDMO C[C@H](CCC[NH3+])NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599108247 355464249 /nfs/dbraw/zinc/46/42/49/355464249.db2.gz NZAXXVIDIBPKGX-SSDOTTSWSA-N 1 1 291.333 -0.266 20 5 CBBDMO C[C@H]([NH3+])CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599098430 355464547 /nfs/dbraw/zinc/46/45/47/355464547.db2.gz ULSSRYZGWWHSAM-LURJTMIESA-N 1 1 277.306 -0.656 20 5 CBBDMO NC(=O)c1cc([N+](=O)[O-])cnc1NCC[N@H+]1CC[C@@H](O)C1 ZINC000599176010 355469939 /nfs/dbraw/zinc/46/99/39/355469939.db2.gz NYZVMFKMLQGRHE-SECBINFHSA-N 1 1 295.299 -0.433 20 5 CBBDMO Cn1cnc([N+](=O)[O-])c1NCC[N@H+]1CC[C@H](O)C1 ZINC000599202948 355472269 /nfs/dbraw/zinc/47/22/69/355472269.db2.gz SIINGAOTSNATMO-QMMMGPOBSA-N 1 1 255.278 -0.193 20 5 CBBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000600530568 355556660 /nfs/dbraw/zinc/55/66/60/355556660.db2.gz IAALENBUQMWFGC-SNVBAGLBSA-N 1 1 282.300 -0.270 20 5 CBBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000600526314 355557235 /nfs/dbraw/zinc/55/72/35/355557235.db2.gz HECSTJNKQUFAMS-SECBINFHSA-N 1 1 268.273 -0.281 20 5 CBBDMO Nc1cccc([N+](=O)[O-])c1C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000600537125 355557818 /nfs/dbraw/zinc/55/78/18/355557818.db2.gz XXJRRXHFNDSYHZ-SECBINFHSA-N 1 1 294.311 -0.027 20 5 CBBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)Nc1ccncc1[N+](=O)[O-] ZINC000599767356 355514151 /nfs/dbraw/zinc/51/41/51/355514151.db2.gz WPIDQFXWWYPBGF-SECBINFHSA-N 1 1 295.299 -0.400 20 5 CBBDMO Cn1c(C(=O)NCC[N@H+]2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000600808220 355566864 /nfs/dbraw/zinc/56/68/64/355566864.db2.gz MYXUJEDEOZNRBJ-VIFPVBQESA-N 1 1 282.300 -0.270 20 5 CBBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000600808822 355567132 /nfs/dbraw/zinc/56/71/32/355567132.db2.gz SGQAGRXKYQSDHT-VIFPVBQESA-N 1 1 296.283 -0.508 20 5 CBBDMO CNC(=O)CC[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602461615 355651866 /nfs/dbraw/zinc/65/18/66/355651866.db2.gz YFOYMBZHGKQVDC-UHFFFAOYSA-N 1 1 255.278 -0.104 20 5 CBBDMO CNC(=O)CC[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602461615 355651869 /nfs/dbraw/zinc/65/18/69/355651869.db2.gz YFOYMBZHGKQVDC-UHFFFAOYSA-N 1 1 255.278 -0.104 20 5 CBBDMO Cn1cnc([N+](=O)[O-])c1N1CC[N@H+](C)C[C@H]1CO ZINC000601980403 355625088 /nfs/dbraw/zinc/62/50/88/355625088.db2.gz VLFMOANIIRLMRV-QMMMGPOBSA-N 1 1 255.278 -0.559 20 5 CBBDMO Cn1cnc([N+](=O)[O-])c1N1CC[N@@H+](C)C[C@H]1CO ZINC000601980403 355625092 /nfs/dbraw/zinc/62/50/92/355625092.db2.gz VLFMOANIIRLMRV-QMMMGPOBSA-N 1 1 255.278 -0.559 20 5 CBBDMO C[C@@H]1C[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C[N@H+]1C1CC1 ZINC000610654048 355784283 /nfs/dbraw/zinc/78/42/83/355784283.db2.gz FROMOJQYFFCYCV-BDAKNGLRSA-N 1 1 294.315 -0.072 20 5 CBBDMO C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)[C@H]1C[N@H+](C)CCO1 ZINC000610907210 355790179 /nfs/dbraw/zinc/79/01/79/355790179.db2.gz FPWHMRMGTLITMF-GXSJLCMTSA-N 1 1 297.315 -0.373 20 5 CBBDMO C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)[C@H]1C[N@@H+](C)CCO1 ZINC000610907210 355790180 /nfs/dbraw/zinc/79/01/80/355790180.db2.gz FPWHMRMGTLITMF-GXSJLCMTSA-N 1 1 297.315 -0.373 20 5 CBBDMO NC(=O)[C@H]1CN(c2ccncc2[N+](=O)[O-])CC[NH2+]1 ZINC000340157943 283356364 /nfs/dbraw/zinc/35/63/64/283356364.db2.gz JHPQKLMIPCRMMM-SSDOTTSWSA-N 1 1 251.246 -0.747 20 5 CBBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@]1(CO)CCOC1 ZINC000330910532 203380725 /nfs/dbraw/zinc/38/07/25/203380725.db2.gz VLTRLOUEYRYOGX-LLVKDONJSA-N 1 1 270.289 -0.126 20 5 CBBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]([NH3+])CC(N)=O ZINC000353440966 220083224 /nfs/dbraw/zinc/08/32/24/220083224.db2.gz OIJZSZQYEODUEP-SECBINFHSA-N 1 1 296.283 -0.578 20 5 CBBDMO O=C(NC[C@H]1CN(C2CC2)CCO1)c1n[nH]cc1[N+](=O)[O-] ZINC000158819614 372817217 /nfs/dbraw/zinc/81/72/17/372817217.db2.gz VMBSWIHHFAOSOH-VIFPVBQESA-N 1 1 295.299 -0.089 20 5 CBBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC(C)(CO)CO ZINC000270344613 372919615 /nfs/dbraw/zinc/91/96/15/372919615.db2.gz PXWMPUWBJFISEF-UHFFFAOYSA-N 1 1 272.305 -0.286 20 5 CBBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H]1C ZINC000285820544 372944852 /nfs/dbraw/zinc/94/48/52/372944852.db2.gz WJXDPPKRODUBKK-BDAKNGLRSA-N 1 1 297.315 -0.155 20 5 CBBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H]1C ZINC000285820544 372944859 /nfs/dbraw/zinc/94/48/59/372944859.db2.gz WJXDPPKRODUBKK-BDAKNGLRSA-N 1 1 297.315 -0.155 20 5 CBBDMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1C(N)=O ZINC000286088893 372955601 /nfs/dbraw/zinc/95/56/01/372955601.db2.gz HRKSPRAKWRHOLO-PSASIEDQSA-N 1 1 267.289 -0.156 20 5 CBBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000360842330 373240754 /nfs/dbraw/zinc/24/07/54/373240754.db2.gz WDOGQGQFTYQLSL-LLVKDONJSA-N 1 1 283.288 -0.875 20 5 CBBDMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1CO ZINC000362089704 373368001 /nfs/dbraw/zinc/36/80/01/373368001.db2.gz JUQJNGNJBWVYKM-CKYFFXLPSA-N 1 1 284.316 -0.288 20 5 CBBDMO COCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356453284 248252019 /nfs/dbraw/zinc/25/20/19/248252019.db2.gz ZJHPRXRRIQOTDE-UHFFFAOYSA-N 1 1 285.304 -0.364 20 5 CBBDMO COCC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356461361 248255293 /nfs/dbraw/zinc/25/52/93/248255293.db2.gz OURSMYPOXQCYNR-VIFPVBQESA-N 1 1 297.315 -0.221 20 5 CBBDMO O=C(Cn1cnc([N+](=O)[O-])n1)NCC[N@@H+]1CC=CCC1 ZINC000357637968 248384586 /nfs/dbraw/zinc/38/45/86/248384586.db2.gz ULIDVSLIGJDQFE-UHFFFAOYSA-N 1 1 280.288 -0.436 20 5 CBBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCOC1 ZINC000266564195 190267612 /nfs/dbraw/zinc/26/76/12/190267612.db2.gz YXLBUENQGHFVFL-GXSJLCMTSA-N 1 1 270.289 -0.127 20 5 CBBDMO NC(=O)[C@H]1CN(c2ncc([N+](=O)[O-])s2)CC[NH2+]1 ZINC000443441629 208389586 /nfs/dbraw/zinc/38/95/86/208389586.db2.gz XENWEXVEURZBRG-RXMQYKEDSA-N 1 1 257.275 -0.685 20 5 CBBDMO C[C@@H](O)C[NH+]1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000275473461 287096499 /nfs/dbraw/zinc/09/64/99/287096499.db2.gz BLFMGZPRJLNRCF-SECBINFHSA-N 1 1 269.305 -0.169 20 5 CBBDMO C[N@H+]1CC[C@@](O)(CNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000358342517 419893778 /nfs/dbraw/zinc/89/37/78/419893778.db2.gz SCFUJUXLAZRQKZ-SNVBAGLBSA-N 1 1 268.277 -0.555 20 5 CBBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC000365334301 420060324 /nfs/dbraw/zinc/06/03/24/420060324.db2.gz ISIWMHYSQCINBC-RWMBFGLXSA-N 1 1 296.371 -0.110 20 5 CBBDMO C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3CC3[N+](=O)[O-])CC2)C1 ZINC000365334301 420060330 /nfs/dbraw/zinc/06/03/30/420060330.db2.gz ISIWMHYSQCINBC-RWMBFGLXSA-N 1 1 296.371 -0.110 20 5 CBBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3CC3[N+](=O)[O-])CC2)C1 ZINC000365334301 420060334 /nfs/dbraw/zinc/06/03/34/420060334.db2.gz ISIWMHYSQCINBC-RWMBFGLXSA-N 1 1 296.371 -0.110 20 5 CBBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[NH2+]C[C@H]1C(F)F ZINC000367383535 420106464 /nfs/dbraw/zinc/10/64/64/420106464.db2.gz CGHVWSFINAPDFT-ZETCQYMHSA-N 1 1 289.242 -0.143 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000368010895 420121501 /nfs/dbraw/zinc/12/15/01/420121501.db2.gz VCHPBAUTGHPPSR-GMTAPVOTSA-N 1 1 268.317 -0.842 20 5 CBBDMO Cn1ccnc1[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCN1C ZINC000369650654 420163634 /nfs/dbraw/zinc/16/36/34/420163634.db2.gz XHPZILZWFIMMBC-VWYCJHECSA-N 1 1 293.327 -0.100 20 5 CBBDMO Nc1nccc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000600536030 420492056 /nfs/dbraw/zinc/49/20/56/420492056.db2.gz VUJQKXASNJTUGU-MRVPVSSYSA-N 1 1 295.299 -0.632 20 5 CBBDMO O=[N+]([O-])c1cnc(N2CC[NH+](CCO)CC2)nc1 ZINC000040455012 275041086 /nfs/dbraw/zinc/04/10/86/275041086.db2.gz PFWGWTNUPKGRGD-UHFFFAOYSA-N 1 1 253.262 -0.501 20 5 CBBDMO Cc1ccnc(N2CC[NH2+][C@@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000265157643 281460641 /nfs/dbraw/zinc/46/06/41/281460641.db2.gz CYTKVZBVFXKUHU-MRVPVSSYSA-N 1 1 265.273 -0.438 20 5 CBBDMO C[C@@H]1C[NH+](C[C@@H](O)Cn2cnc([N+](=O)[O-])n2)C[C@@H](C)O1 ZINC000339303363 335143152 /nfs/dbraw/zinc/14/31/52/335143152.db2.gz MBYDSYOLJDXSKZ-OPRDCNLKSA-N 1 1 285.304 -0.344 20 5 CBBDMO CC(=O)NCC[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000576277138 335181051 /nfs/dbraw/zinc/18/10/51/335181051.db2.gz QPMJWYGMCIIXDQ-LLVKDONJSA-N 1 1 285.304 -0.780 20 5 CBBDMO COCC[N@@H+](C)C[C@H](O)Cn1cnc([N+](=O)[O-])c1 ZINC000385886666 336159441 /nfs/dbraw/zinc/15/94/41/336159441.db2.gz CQAROWDRSNTAAA-VIFPVBQESA-N 1 1 258.278 -0.270 20 5 CBBDMO NC(=O)[C@]1(O)CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000375701404 534466424 /nfs/dbraw/zinc/46/64/24/534466424.db2.gz NIKGBVWBYGAOHX-ZDUSSCGKSA-N 1 1 295.295 -0.104 20 5 CBBDMO O=C1NC[C@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)CC[C@@H]12 ZINC000377683063 534789275 /nfs/dbraw/zinc/78/92/75/534789275.db2.gz ZBURGBPWQXCGFE-VHSXEESVSA-N 1 1 279.300 -0.141 20 5 CBBDMO NC(=O)C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000735486647 582183488 /nfs/dbraw/zinc/18/34/88/582183488.db2.gz GADOQFBWYIAAEF-UHFFFAOYSA-N 1 1 279.300 -0.013 20 5 CBBDMO NC(=O)C[N@H+]1CCCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000735486647 582183489 /nfs/dbraw/zinc/18/34/89/582183489.db2.gz GADOQFBWYIAAEF-UHFFFAOYSA-N 1 1 279.300 -0.013 20 5 CBBDMO NC(=O)C[C@@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000808229881 582442488 /nfs/dbraw/zinc/44/24/88/582442488.db2.gz VCESTRZFPGLNAX-QMMMGPOBSA-N 1 1 253.262 -0.054 20 5 CBBDMO NC(=O)C[C@@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000808229881 582442489 /nfs/dbraw/zinc/44/24/89/582442489.db2.gz VCESTRZFPGLNAX-QMMMGPOBSA-N 1 1 253.262 -0.054 20 5 CBBDMO C[N@H+]1CC[C@H]2CN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC[C@H]21 ZINC000827335849 582811937 /nfs/dbraw/zinc/81/19/37/582811937.db2.gz AIOHPNCDYFGRFH-VHSXEESVSA-N 1 1 294.315 -0.261 20 5 CBBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839640903 583157464 /nfs/dbraw/zinc/15/74/64/583157464.db2.gz NGJSFTJEDAITRL-GMTAPVOTSA-N 1 1 271.317 -0.121 20 5 CBBDMO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839640903 583157466 /nfs/dbraw/zinc/15/74/66/583157466.db2.gz NGJSFTJEDAITRL-GMTAPVOTSA-N 1 1 271.317 -0.121 20 5 CBBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839640903 583157468 /nfs/dbraw/zinc/15/74/68/583157468.db2.gz NGJSFTJEDAITRL-GMTAPVOTSA-N 1 1 271.317 -0.121 20 5 CBBDMO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000844036401 583245545 /nfs/dbraw/zinc/24/55/45/583245545.db2.gz IKMAEQDJKNNHEA-OPRDCNLKSA-N 1 1 284.316 -0.770 20 5 CBBDMO CON1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000846977060 583394508 /nfs/dbraw/zinc/39/45/08/583394508.db2.gz OOMXGAZSSGXNHM-LLVKDONJSA-N 1 1 285.304 -0.669 20 5 CBBDMO CCn1ncc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000863564592 583847021 /nfs/dbraw/zinc/84/70/21/583847021.db2.gz XCIMNNRYYZXZBL-NSHDSACASA-N 1 1 295.303 -0.447 20 5 CBBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000874846356 584093030 /nfs/dbraw/zinc/09/30/30/584093030.db2.gz YCOXGBXFKMCFSV-VHSXEESVSA-N 1 1 294.315 -0.119 20 5 CBBDMO Cn1cc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)c([N+](=O)[O-])n1 ZINC000880073580 584261347 /nfs/dbraw/zinc/26/13/47/584261347.db2.gz INTLNOJTOKUTFQ-NWDGAFQWSA-N 1 1 295.343 -0.031 20 5 CBBDMO CN1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@H+](C)CC1 ZINC000888983909 584511397 /nfs/dbraw/zinc/51/13/97/584511397.db2.gz UNEMULSCUMVOPS-UHFFFAOYSA-N 1 1 296.331 -0.363 20 5 CBBDMO CN1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@@H+](C)CC1 ZINC000888983909 584511398 /nfs/dbraw/zinc/51/13/98/584511398.db2.gz UNEMULSCUMVOPS-UHFFFAOYSA-N 1 1 296.331 -0.363 20 5 CBBDMO Cc1cc(N2CC[C@H]([NH2+]CC[N+](=O)[O-])C2=O)n(C)n1 ZINC000905137450 656340291 /nfs/dbraw/zinc/34/02/91/656340291.db2.gz TVFYIAFOICEESF-VIFPVBQESA-N 1 1 267.289 -0.300 20 5 CBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]CCO)CC1 ZINC000996442515 656414529 /nfs/dbraw/zinc/41/45/29/656414529.db2.gz XHXNJNIDRABUFG-NXEZZACHSA-N 1 1 257.290 -0.776 20 5 CBBDMO C[NH+]1CCC(N(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000911945396 657171678 /nfs/dbraw/zinc/17/16/78/657171678.db2.gz JBFUTUVUERRZHY-GHMZBOCLSA-N 1 1 271.317 -0.433 20 5 CBBDMO C[N@@H+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@@H]1CO ZINC000913542038 657504607 /nfs/dbraw/zinc/50/46/07/657504607.db2.gz AWDRUAFWIKSIKB-SNVBAGLBSA-N 1 1 273.333 -0.043 20 5 CBBDMO C[N@H+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@@H]1CO ZINC000913542038 657504620 /nfs/dbraw/zinc/50/46/20/657504620.db2.gz AWDRUAFWIKSIKB-SNVBAGLBSA-N 1 1 273.333 -0.043 20 5 CBBDMO Cn1cncc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001020139292 658017256 /nfs/dbraw/zinc/01/72/56/658017256.db2.gz WXBKNNWZWRRVQP-CNVPUSNMSA-N 1 1 293.327 -0.178 20 5 CBBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(CC[N+](=O)[O-])CC1 ZINC000930073207 659202812 /nfs/dbraw/zinc/20/28/12/659202812.db2.gz XEQMWOYOBIMLCF-LLVKDONJSA-N 1 1 270.333 -0.323 20 5 CBBDMO CS(=O)(=O)NCC1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000930448604 659287425 /nfs/dbraw/zinc/28/74/25/659287425.db2.gz GQCCTGYVOUEZPX-UHFFFAOYSA-N 1 1 265.335 -0.476 20 5 CBBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H]1CO ZINC000934015803 659756941 /nfs/dbraw/zinc/75/69/41/659756941.db2.gz BWSSTEVYNMWISB-JTQLQIEISA-N 1 1 253.258 -0.177 20 5 CBBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H]1CO ZINC000934015803 659756947 /nfs/dbraw/zinc/75/69/47/659756947.db2.gz BWSSTEVYNMWISB-JTQLQIEISA-N 1 1 253.258 -0.177 20 5 CBBDMO O=C(C[NH+]1CCCC1)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991746430 659844139 /nfs/dbraw/zinc/84/41/39/659844139.db2.gz FFJVZWIZPULEMA-GHMZBOCLSA-N 1 1 296.327 -0.926 20 5 CBBDMO