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BBBDRN Cc1nn(Cc2nnn(C)n2)c(C)c1[N+](=O)[O-] ZINC000193046227 180392127 /nfs/dbraw/zinc/39/21/27/180392127.db2.gz HVDLNVJJVYSJQP-UHFFFAOYSA-N 0 0 237.223 -0.020 20 5 BBBDRN Cn1nnc(Cn2cc([N+](=O)[O-])cn2)n1 ZINC000193083432 388752060 /nfs/dbraw/zinc/75/20/60/388752060.db2.gz PDJVQDVODXILJI-UHFFFAOYSA-N 0 0 209.169 -0.637 20 5 BBBDRN Cn1nnc(Cn2nccc2[N+](=O)[O-])n1 ZINC000193375167 388862297 /nfs/dbraw/zinc/86/22/97/388862297.db2.gz FHRYCUXMLQUXGO-UHFFFAOYSA-N 0 0 209.169 -0.637 20 5 BBBDRN C[C@@H](CO)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193406841 388347525 /nfs/dbraw/zinc/34/75/25/388347525.db2.gz UUFQSTKGXJIFRN-YFKPBYRVSA-N 0 0 241.203 -0.194 20 5 BBBDRN C[C@H](CO)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193406853 388346937 /nfs/dbraw/zinc/34/69/37/388346937.db2.gz UUFQSTKGXJIFRN-RXMQYKEDSA-N 0 0 241.203 -0.194 20 5 BBBDRN Nc1ccc([N+](=O)[O-])c(NC[C@H](O)CO)c1 ZINC000193480563 388357359 /nfs/dbraw/zinc/35/73/59/388357359.db2.gz QFSCDMSRIAYTBA-ZETCQYMHSA-N 0 0 227.220 -0.058 20 5 BBBDRN Nc1ccc([N+](=O)[O-])c(NC[C@@H](O)CO)c1 ZINC000193480578 388357242 /nfs/dbraw/zinc/35/72/42/388357242.db2.gz QFSCDMSRIAYTBA-SSDOTTSWSA-N 0 0 227.220 -0.058 20 5 BBBDRN NC(=O)CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000194498463 388501336 /nfs/dbraw/zinc/50/13/36/388501336.db2.gz PHKDXEMPPXAGPP-UHFFFAOYSA-N 0 0 229.217 -0.129 20 5 BBBDRN O=C1CN(Cn2nccc2[N+](=O)[O-])CCN1 ZINC000195089134 644359961 /nfs/dbraw/zinc/35/99/61/644359961.db2.gz KNBBEWAMAYLULG-UHFFFAOYSA-N 0 0 225.208 -0.819 20 5 BBBDRN CN(CC(N)=O)c1ncc([N+](=O)[O-])s1 ZINC000195508830 388474424 /nfs/dbraw/zinc/47/44/24/388474424.db2.gz JYOFIHGJNRFTTI-UHFFFAOYSA-N 0 0 216.222 -0.027 20 5 BBBDRN COC(=O)CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000196748589 398300615 /nfs/dbraw/zinc/30/06/15/398300615.db2.gz BBLVIHRCRGNZPW-UHFFFAOYSA-N 0 0 228.164 -0.779 20 5 BBBDRN COCCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000196749354 398300708 /nfs/dbraw/zinc/30/07/08/398300708.db2.gz HHOCQUATOPZSAT-UHFFFAOYSA-N 0 0 214.181 -0.306 20 5 BBBDRN CSCCNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000197379745 397989067 /nfs/dbraw/zinc/98/90/67/397989067.db2.gz FURILSQYZNOETQ-UHFFFAOYSA-N 0 0 245.264 -0.335 20 5 BBBDRN Cc1ncc([N+](=O)[O-])n1Cc1nn[nH]n1 ZINC000197802220 411165788 /nfs/dbraw/zinc/16/57/88/411165788.db2.gz ZXAWTIJDTDHWAV-UHFFFAOYSA-N 0 0 209.169 -0.339 20 5 BBBDRN NC(=O)CS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000203739346 348208531 /nfs/dbraw/zinc/20/85/31/348208531.db2.gz YYMPQKRFQFGRLN-UHFFFAOYSA-N 0 0 244.228 -0.146 20 5 BBBDRN O=[N+]([O-])c1cccnc1N1C[C@H](O)C[C@@H]1CO ZINC000209174389 370631190 /nfs/dbraw/zinc/63/11/90/370631190.db2.gz SKQIVFVYDOLZTK-HTQZYQBOSA-N 0 0 239.231 -0.078 20 5 BBBDRN O=[N+]([O-])c1cccnc1N1C[C@@H](O)C[C@@H]1CO ZINC000209174424 370630780 /nfs/dbraw/zinc/63/07/80/370630780.db2.gz SKQIVFVYDOLZTK-SFYZADRCSA-N 0 0 239.231 -0.078 20 5 BBBDRN O=[N+]([O-])c1ccc(N2C[C@@H](O)[C@@H](O)C2)nc1 ZINC000213100811 388363221 /nfs/dbraw/zinc/36/32/21/388363221.db2.gz NYTOLMDBWQPXLF-OCAPTIKFSA-N 0 0 225.204 -0.468 20 5 BBBDRN O=[N+]([O-])c1ccc(N2C[C@@H](O)[C@H](O)C2)nc1 ZINC000213100875 388362623 /nfs/dbraw/zinc/36/26/23/388362623.db2.gz NYTOLMDBWQPXLF-HTQZYQBOSA-N 0 0 225.204 -0.468 20 5 BBBDRN O=[N+]([O-])c1ccc(N2C[C@H](O)[C@@H](O)C2)nc1 ZINC000213100928 256576612 /nfs/dbraw/zinc/57/66/12/256576612.db2.gz NYTOLMDBWQPXLF-YUMQZZPRSA-N 0 0 225.204 -0.468 20 5 BBBDRN CON(C)C(=O)Cn1cccc([N+](=O)[O-])c1=O ZINC000218168254 592153635 /nfs/dbraw/zinc/15/36/35/592153635.db2.gz GPBMRQBEDKQOGW-UHFFFAOYSA-N 0 0 241.203 -0.224 20 5 BBBDRN Cc1nn(C)c(N[C@@H]2CNC(=O)C2)c1[N+](=O)[O-] ZINC000226738602 371733305 /nfs/dbraw/zinc/73/33/05/371733305.db2.gz DBFPRVVYRCJEND-LURJTMIESA-N 0 0 239.235 -0.063 20 5 BBBDRN Cc1nn(C)c(N[C@H]2CNC(=O)C2)c1[N+](=O)[O-] ZINC000226738609 371733759 /nfs/dbraw/zinc/73/37/59/371733759.db2.gz DBFPRVVYRCJEND-ZCFIWIBFSA-N 0 0 239.235 -0.063 20 5 BBBDRN NC(=O)[C@@H](O)CNc1ccc([N+](=O)[O-])cn1 ZINC000227829755 134390466 /nfs/dbraw/zinc/39/04/66/134390466.db2.gz VOFCPHRFOKTQMO-LURJTMIESA-N 0 0 226.192 -0.752 20 5 BBBDRN NC(=O)[C@H](O)CNc1ccc([N+](=O)[O-])cn1 ZINC000227829761 134389841 /nfs/dbraw/zinc/38/98/41/134389841.db2.gz VOFCPHRFOKTQMO-ZCFIWIBFSA-N 0 0 226.192 -0.752 20 5 BBBDRN Cc1cc(NC[C@@H](O)C(N)=O)ncc1[N+](=O)[O-] ZINC000227829826 178165965 /nfs/dbraw/zinc/16/59/65/178165965.db2.gz OKNYMTFYWIXFEO-SSDOTTSWSA-N 0 0 240.219 -0.444 20 5 BBBDRN Cc1cc(NC[C@H](O)C(N)=O)ncc1[N+](=O)[O-] ZINC000227829831 178168649 /nfs/dbraw/zinc/16/86/49/178168649.db2.gz OKNYMTFYWIXFEO-ZETCQYMHSA-N 0 0 240.219 -0.444 20 5 BBBDRN NC(=O)[C@@H](O)CNc1ncccc1[N+](=O)[O-] ZINC000227829857 181265847 /nfs/dbraw/zinc/26/58/47/181265847.db2.gz XDYBGBFASYXFSR-LURJTMIESA-N 0 0 226.192 -0.752 20 5 BBBDRN NC(=O)[C@H](O)CNc1ncccc1[N+](=O)[O-] ZINC000227829865 181277708 /nfs/dbraw/zinc/27/77/08/181277708.db2.gz XDYBGBFASYXFSR-ZCFIWIBFSA-N 0 0 226.192 -0.752 20 5 BBBDRN Cc1nc(NC[C@@H](O)C(N)=O)ccc1[N+](=O)[O-] ZINC000227829957 180019285 /nfs/dbraw/zinc/01/92/85/180019285.db2.gz CDVZMBCHRTXMRM-SSDOTTSWSA-N 0 0 240.219 -0.444 20 5 BBBDRN Cc1nc(NC[C@H](O)C(N)=O)ccc1[N+](=O)[O-] ZINC000227829965 180018725 /nfs/dbraw/zinc/01/87/25/180018725.db2.gz CDVZMBCHRTXMRM-ZETCQYMHSA-N 0 0 240.219 -0.444 20 5 BBBDRN NC(=O)[C@@H](O)CNc1ccccc1[N+](=O)[O-] ZINC000227830106 134390416 /nfs/dbraw/zinc/39/04/16/134390416.db2.gz NMYHTYXVLDFPAI-QMMMGPOBSA-N 0 0 225.204 -0.147 20 5 BBBDRN NC(=O)[C@H](O)CNc1ccccc1[N+](=O)[O-] ZINC000227830112 134390493 /nfs/dbraw/zinc/39/04/93/134390493.db2.gz NMYHTYXVLDFPAI-MRVPVSSYSA-N 0 0 225.204 -0.147 20 5 BBBDRN Cc1ccnc(NC[C@@H](O)C(N)=O)c1[N+](=O)[O-] ZINC000227830584 384967580 /nfs/dbraw/zinc/96/75/80/384967580.db2.gz OHGXJLMWSUFGCG-ZCFIWIBFSA-N 0 0 240.219 -0.444 20 5 BBBDRN Cc1ccnc(NC[C@H](O)C(N)=O)c1[N+](=O)[O-] ZINC000227830591 398321329 /nfs/dbraw/zinc/32/13/29/398321329.db2.gz OHGXJLMWSUFGCG-LURJTMIESA-N 0 0 240.219 -0.444 20 5 BBBDRN NC(=O)[C@@H](O)CNc1ccc([N+](=O)[O-])cc1 ZINC000227830729 134390352 /nfs/dbraw/zinc/39/03/52/134390352.db2.gz BLMMUDLJFGGXFB-QMMMGPOBSA-N 0 0 225.204 -0.147 20 5 BBBDRN NC(=O)[C@H](O)CNc1ccc([N+](=O)[O-])cc1 ZINC000227830735 134390302 /nfs/dbraw/zinc/39/03/02/134390302.db2.gz BLMMUDLJFGGXFB-MRVPVSSYSA-N 0 0 225.204 -0.147 20 5 BBBDRN NC(=O)[C@@H](O)CNc1ccc(F)cc1[N+](=O)[O-] ZINC000227830879 134390157 /nfs/dbraw/zinc/39/01/57/134390157.db2.gz HESSOGJCYQPSPK-QMMMGPOBSA-N 0 0 243.194 -0.008 20 5 BBBDRN NC(=O)[C@H](O)CNc1ccc(F)cc1[N+](=O)[O-] ZINC000227830886 134390430 /nfs/dbraw/zinc/39/04/30/134390430.db2.gz HESSOGJCYQPSPK-MRVPVSSYSA-N 0 0 243.194 -0.008 20 5 BBBDRN NC(=O)[C@@H](O)CNc1ccc([N+](=O)[O-])cc1F ZINC000227830935 134390478 /nfs/dbraw/zinc/39/04/78/134390478.db2.gz ODCWMNJKOPICCW-QMMMGPOBSA-N 0 0 243.194 -0.008 20 5 BBBDRN NC(=O)[C@H](O)CNc1ccc([N+](=O)[O-])cc1F ZINC000227830942 134390359 /nfs/dbraw/zinc/39/03/59/134390359.db2.gz ODCWMNJKOPICCW-MRVPVSSYSA-N 0 0 243.194 -0.008 20 5 BBBDRN Cc1cc([N+](=O)[O-])cnc1NC[C@@H](O)C(N)=O ZINC000227830986 178273741 /nfs/dbraw/zinc/27/37/41/178273741.db2.gz XLSRMTURBANBBY-SSDOTTSWSA-N 0 0 240.219 -0.444 20 5 BBBDRN Cc1cc([N+](=O)[O-])cnc1NC[C@H](O)C(N)=O ZINC000227830993 178273863 /nfs/dbraw/zinc/27/38/63/178273863.db2.gz XLSRMTURBANBBY-ZETCQYMHSA-N 0 0 240.219 -0.444 20 5 BBBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCCO1 ZINC000228031501 182065888 /nfs/dbraw/zinc/06/58/88/182065888.db2.gz BYAJONROJVBPHZ-UHFFFAOYSA-N 0 0 226.192 -0.045 20 5 BBBDRN Cc1cnc(NC[C@@H](O)C(N)=O)c([N+](=O)[O-])c1 ZINC000228594140 388133465 /nfs/dbraw/zinc/13/34/65/388133465.db2.gz CAMWNMRYMFBQRC-SSDOTTSWSA-N 0 0 240.219 -0.444 20 5 BBBDRN Cc1cnc(NC[C@H](O)C(N)=O)c([N+](=O)[O-])c1 ZINC000228594146 398325084 /nfs/dbraw/zinc/32/50/84/398325084.db2.gz CAMWNMRYMFBQRC-ZETCQYMHSA-N 0 0 240.219 -0.444 20 5 BBBDRN Cc1ccc([N+](=O)[O-])c(NC[C@@H](O)C(N)=O)n1 ZINC000228595604 388134335 /nfs/dbraw/zinc/13/43/35/388134335.db2.gz RIBSOMOLLKEOIX-SSDOTTSWSA-N 0 0 240.219 -0.444 20 5 BBBDRN Cc1ccc([N+](=O)[O-])c(NC[C@H](O)C(N)=O)n1 ZINC000228595608 388145510 /nfs/dbraw/zinc/14/55/10/388145510.db2.gz RIBSOMOLLKEOIX-ZETCQYMHSA-N 0 0 240.219 -0.444 20 5 BBBDRN NC(=O)[C@@H](O)CNc1ccncc1[N+](=O)[O-] ZINC000228598071 134416282 /nfs/dbraw/zinc/41/62/82/134416282.db2.gz IIOWHEVCSMXHHP-ZETCQYMHSA-N 0 0 226.192 -0.752 20 5 BBBDRN NC(=O)[C@H](O)CNc1ccncc1[N+](=O)[O-] ZINC000228598076 134416334 /nfs/dbraw/zinc/41/63/34/134416334.db2.gz IIOWHEVCSMXHHP-SSDOTTSWSA-N 0 0 226.192 -0.752 20 5 BBBDRN NC(=O)[C@@H](O)CNc1ncc([N+](=O)[O-])s1 ZINC000228606518 388386332 /nfs/dbraw/zinc/38/63/32/388386332.db2.gz HNLDYRCSXUBEQA-VKHMYHEASA-N 0 0 232.221 -0.691 20 5 BBBDRN NC(=O)[C@H](O)CNc1ncc([N+](=O)[O-])s1 ZINC000228606523 388386273 /nfs/dbraw/zinc/38/62/73/388386273.db2.gz HNLDYRCSXUBEQA-GSVOUGTGSA-N 0 0 232.221 -0.691 20 5 BBBDRN NC(=O)[C@@H](O)CNc1cccnc1[N+](=O)[O-] ZINC000228782960 372080868 /nfs/dbraw/zinc/08/08/68/372080868.db2.gz JUULJZWLPHPMEK-LURJTMIESA-N 0 0 226.192 -0.752 20 5 BBBDRN NC(=O)[C@H](O)CNc1cccnc1[N+](=O)[O-] ZINC000228782969 372080626 /nfs/dbraw/zinc/08/06/26/372080626.db2.gz JUULJZWLPHPMEK-ZCFIWIBFSA-N 0 0 226.192 -0.752 20 5 BBBDRN Cn1cnc([N+](=O)[O-])c1NC[C@@]1(O)CCOC1 ZINC000229627225 388395226 /nfs/dbraw/zinc/39/52/26/388395226.db2.gz GCNYNQVGFRNEBY-VIFPVBQESA-N 0 0 242.235 -0.108 20 5 BBBDRN Cn1cnc([N+](=O)[O-])c1NC[C@]1(O)CCOC1 ZINC000229627233 398270084 /nfs/dbraw/zinc/27/00/84/398270084.db2.gz GCNYNQVGFRNEBY-SECBINFHSA-N 0 0 242.235 -0.108 20 5 BBBDRN O=[N+]([O-])c1cnc(NC[C@@]2(O)CCOC2)nc1 ZINC000230874937 353539289 /nfs/dbraw/zinc/53/92/89/353539289.db2.gz NQNWLBXCGSCJBW-VIFPVBQESA-N 0 0 240.219 -0.052 20 5 BBBDRN O=[N+]([O-])c1cnc(NC[C@]2(O)CCOC2)nc1 ZINC000230874943 135560704 /nfs/dbraw/zinc/56/07/04/135560704.db2.gz NQNWLBXCGSCJBW-SECBINFHSA-N 0 0 240.219 -0.052 20 5 BBBDRN COCC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000231695891 411185261 /nfs/dbraw/zinc/18/52/61/411185261.db2.gz OBUKWAFZZFEGJS-UHFFFAOYSA-N 0 0 226.188 -0.028 20 5 BBBDRN COCC(=O)Cn1cccc([N+](=O)[O-])c1=O ZINC000231696231 411185131 /nfs/dbraw/zinc/18/51/31/411185131.db2.gz JBPMZMNJNAQBIJ-UHFFFAOYSA-N 0 0 226.188 -0.028 20 5 BBBDRN O=[N+]([O-])c1nc(Br)n(CCO)n1 ZINC000231803608 641206645 /nfs/dbraw/zinc/20/66/45/641206645.db2.gz XBXAEIVMWKWNIF-UHFFFAOYSA-N 0 0 237.013 -0.059 20 5 BBBDRN Cn1cnc([N+](=O)[O-])c1N[C@@H]1CNC(=O)C1 ZINC000232180522 386003917 /nfs/dbraw/zinc/00/39/17/386003917.db2.gz ZSOHZIZRIUXHGS-YFKPBYRVSA-N 0 0 225.208 -0.371 20 5 BBBDRN Cn1cnc([N+](=O)[O-])c1N[C@H]1CNC(=O)C1 ZINC000232180525 386004546 /nfs/dbraw/zinc/00/45/46/386004546.db2.gz ZSOHZIZRIUXHGS-RXMQYKEDSA-N 0 0 225.208 -0.371 20 5 BBBDRN O=C1C[C@@H](Nc2ncc([N+](=O)[O-])cn2)CN1 ZINC000232180584 352079390 /nfs/dbraw/zinc/07/93/90/352079390.db2.gz FODJBMWVTSNBET-RXMQYKEDSA-N 0 0 223.192 -0.315 20 5 BBBDRN O=C1C[C@H](Nc2ncc([N+](=O)[O-])cn2)CN1 ZINC000232180586 352078824 /nfs/dbraw/zinc/07/88/24/352078824.db2.gz FODJBMWVTSNBET-YFKPBYRVSA-N 0 0 223.192 -0.315 20 5 BBBDRN COC[C@H](CO)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000234755923 344245694 /nfs/dbraw/zinc/24/56/94/344245694.db2.gz KSXVOWILIZZUGR-LURJTMIESA-N 0 0 243.219 -0.340 20 5 BBBDRN COC[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000234762053 383961469 /nfs/dbraw/zinc/96/14/69/383961469.db2.gz RTSZSZMHFBOSTM-LURJTMIESA-N 0 0 243.219 -0.340 20 5 BBBDRN COC[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000234762629 386096313 /nfs/dbraw/zinc/09/63/13/386096313.db2.gz QGKIDANJJCKMIS-LURJTMIESA-N 0 0 244.203 -0.075 20 5 BBBDRN COC[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000234843238 398306699 /nfs/dbraw/zinc/30/66/99/398306699.db2.gz KSXVOWILIZZUGR-ZCFIWIBFSA-N 0 0 243.219 -0.340 20 5 BBBDRN COC[C@H](CO)Nc1c([N+](=O)[O-])ncn1C ZINC000234846525 384188520 /nfs/dbraw/zinc/18/85/20/384188520.db2.gz XLFBTVSGJDIADR-LURJTMIESA-N 0 0 230.224 -0.253 20 5 BBBDRN COC[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000234848546 398306754 /nfs/dbraw/zinc/30/67/54/398306754.db2.gz RTSZSZMHFBOSTM-ZCFIWIBFSA-N 0 0 243.219 -0.340 20 5 BBBDRN 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20 5 BBBDRN Cc1cc([N+](=O)[O-])cnc1N1C[C@@H](O)[C@@H](O)C1 ZINC000235759908 178274497 /nfs/dbraw/zinc/27/44/97/178274497.db2.gz LJOIPVMVJYFCTE-DTORHVGOSA-N 0 0 239.231 -0.160 20 5 BBBDRN Cc1cc(N2C[C@@H](O)[C@H](O)C2)ncc1[N+](=O)[O-] ZINC000235857689 384786227 /nfs/dbraw/zinc/78/62/27/384786227.db2.gz KSAMVDWTUCYALW-RKDXNWHRSA-N 0 0 239.231 -0.160 20 5 BBBDRN Cc1cc(N2C[C@H](O)[C@@H](O)C2)ncc1[N+](=O)[O-] ZINC000235859047 384787851 /nfs/dbraw/zinc/78/78/51/384787851.db2.gz KSAMVDWTUCYALW-IUCAKERBSA-N 0 0 239.231 -0.160 20 5 BBBDRN Cc1cc(N2C[C@@H](O)[C@@H](O)C2)ncc1[N+](=O)[O-] ZINC000235860082 384785087 /nfs/dbraw/zinc/78/50/87/384785087.db2.gz KSAMVDWTUCYALW-DTORHVGOSA-N 0 0 239.231 -0.160 20 5 BBBDRN Cc1ccc([N+](=O)[O-])c(N2C[C@@H](O)[C@H](O)C2)n1 ZINC000235911274 178929292 /nfs/dbraw/zinc/92/92/92/178929292.db2.gz FSTYTHIQXHHZPQ-RKDXNWHRSA-N 0 0 239.231 -0.160 20 5 BBBDRN Cc1ccc([N+](=O)[O-])c(N2C[C@H](O)[C@@H](O)C2)n1 ZINC000235911309 384795588 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/nfs/dbraw/zinc/39/17/90/180391790.db2.gz UPWLBHCLUIANRE-UHFFFAOYSA-N 0 0 223.196 -0.328 20 5 BBBDRN C[C@@H](O)CN(C)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000291055351 385815679 /nfs/dbraw/zinc/81/56/79/385815679.db2.gz OFAGBVVNAMAOTL-RXMQYKEDSA-N 0 0 228.208 -0.229 20 5 BBBDRN C[C@H](O)CN(C)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000291055353 385813108 /nfs/dbraw/zinc/81/31/08/385813108.db2.gz OFAGBVVNAMAOTL-YFKPBYRVSA-N 0 0 228.208 -0.229 20 5 BBBDRN C[C@@H](O)CN(C)c1ncc([N+](=O)[O-])c(N)n1 ZINC000292263539 385633897 /nfs/dbraw/zinc/63/38/97/385633897.db2.gz IDBMEDCWUPBDBK-RXMQYKEDSA-N 0 0 227.224 -0.216 20 5 BBBDRN C[C@H](O)CN(C)c1ncc([N+](=O)[O-])c(N)n1 ZINC000292263547 176973880 /nfs/dbraw/zinc/97/38/80/176973880.db2.gz IDBMEDCWUPBDBK-YFKPBYRVSA-N 0 0 227.224 -0.216 20 5 BBBDRN CNC(=O)[C@H](C)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000292412914 173304118 /nfs/dbraw/zinc/30/41/18/173304118.db2.gz VVNPPQJTKSEICH-BYPYZUCNSA-N 0 0 240.223 -0.487 20 5 BBBDRN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C(N)=O ZINC000292677527 385711011 /nfs/dbraw/zinc/71/10/11/385711011.db2.gz CQZXNRFBPFSYHD-RXMQYKEDSA-N 0 0 240.219 -0.083 20 5 BBBDRN CC[C@H](O)CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000293643375 491107677 /nfs/dbraw/zinc/10/76/77/491107677.db2.gz HNCREYCWSYLXCB-YFKPBYRVSA-N 0 0 228.208 -0.181 20 5 BBBDRN CNC(=O)NC(=O)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000294180761 173287569 /nfs/dbraw/zinc/28/75/69/173287569.db2.gz KBWRERYOWPNUJM-UHFFFAOYSA-N 0 0 241.207 -0.445 20 5 BBBDRN Cc1nn([C@H](C)C(=O)NC(N)=O)cc1[N+](=O)[O-] ZINC000294203139 180393074 /nfs/dbraw/zinc/39/30/74/180393074.db2.gz LYILSXZASOTMCA-RXMQYKEDSA-N 0 0 241.207 -0.144 20 5 BBBDRN Cc1nn([C@@H](C)C(=O)NC(N)=O)cc1[N+](=O)[O-] ZINC000294203145 180392153 /nfs/dbraw/zinc/39/21/53/180392153.db2.gz LYILSXZASOTMCA-YFKPBYRVSA-N 0 0 241.207 -0.144 20 5 BBBDRN CNC(=O)[C@H](C)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000294537404 173302024 /nfs/dbraw/zinc/30/20/24/173302024.db2.gz GJRNVPYHNKMOOL-BYPYZUCNSA-N 0 0 241.207 -0.818 20 5 BBBDRN CNC(=O)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000294750218 173302591 /nfs/dbraw/zinc/30/25/91/173302591.db2.gz WACNEBKMTGYFJH-YFKPBYRVSA-N 0 0 240.219 -0.213 20 5 BBBDRN Nc1nc(N[C@H]2C[C@@H](O)C2)ncc1[N+](=O)[O-] ZINC000295354435 181786839 /nfs/dbraw/zinc/78/68/39/181786839.db2.gz 0 0 225.208 -0.098 20 5 BBBDRN NC(=O)c1cc([N+](=O)[O-])cnc1NCCCO ZINC000298337497 181292171 /nfs/dbraw/zinc/29/21/71/181292171.db2.gz YYKOGAKVZDNPCA-UHFFFAOYSA-N 0 0 240.219 -0.117 20 5 BBBDRN CN(CCO)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000298389766 388579943 /nfs/dbraw/zinc/57/99/43/388579943.db2.gz CZBHJYVUGHIAJG-UHFFFAOYSA-N 0 0 240.219 -0.483 20 5 BBBDRN NC(=O)c1cc([N+](=O)[O-])cnc1NCCO ZINC000298409266 181292134 /nfs/dbraw/zinc/29/21/34/181292134.db2.gz HYCMXFOKHHRWDW-UHFFFAOYSA-N 0 0 226.192 -0.507 20 5 BBBDRN CCC1(O)CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000298552905 398282460 /nfs/dbraw/zinc/28/24/60/398282460.db2.gz XYCBQGVDHFLHTP-UHFFFAOYSA-N 0 0 240.219 -0.085 20 5 BBBDRN CNC(=O)CN(C)c1ncc([N+](=O)[O-])c(N)n1 ZINC000298702610 173272688 /nfs/dbraw/zinc/27/26/88/173272688.db2.gz FHHDIYBQQICHDI-UHFFFAOYSA-N 0 0 240.223 -0.851 20 5 BBBDRN CC(=O)NCCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000298746848 187702295 /nfs/dbraw/zinc/70/22/95/187702295.db2.gz USTRROHTYAXHDU-UHFFFAOYSA-N 0 0 240.223 -0.485 20 5 BBBDRN CNC(=O)CN(C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000298851500 173266386 /nfs/dbraw/zinc/26/63/86/173266386.db2.gz CPJDOTODMBRYNL-UHFFFAOYSA-N 0 0 240.219 -0.259 20 5 BBBDRN CC(=O)NCCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000298863879 388672059 /nfs/dbraw/zinc/67/20/59/388672059.db2.gz ROVDHUBOITYUHQ-UHFFFAOYSA-N 0 0 240.219 -0.211 20 5 BBBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C(N)=O ZINC000298872251 388673904 /nfs/dbraw/zinc/67/39/04/388673904.db2.gz XYRAXNWQTRBMDX-SCSAIBSYSA-N 0 0 226.192 -0.474 20 5 BBBDRN CN(C)C(=O)CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000298891395 172369230 /nfs/dbraw/zinc/36/92/30/172369230.db2.gz WOFYCOAOOFYZCW-UHFFFAOYSA-N 0 0 240.219 -0.259 20 5 BBBDRN CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299060643 173258963 /nfs/dbraw/zinc/25/89/63/173258963.db2.gz JCDLVUHBMKLRLH-UHFFFAOYSA-N 0 0 240.219 -0.211 20 5 BBBDRN CC(C)(NC(=O)c1ccc([N+](=O)[O-])[nH]1)C(N)=O ZINC000299155897 388710050 /nfs/dbraw/zinc/71/00/50/388710050.db2.gz OTVHGYJZVSLIPE-UHFFFAOYSA-N 0 0 240.219 -0.083 20 5 BBBDRN CON(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000299477295 388839011 /nfs/dbraw/zinc/83/90/11/388839011.db2.gz DMCUKQIGDAXBSI-UHFFFAOYSA-N 0 0 241.203 -0.224 20 5 BBBDRN Cn1cnc([N+](=O)[O-])c1N[C@H]1CC(=O)N(C)C1 ZINC000299676280 173187174 /nfs/dbraw/zinc/18/71/74/173187174.db2.gz QELFKYBOEXEFKB-LURJTMIESA-N 0 0 239.235 -0.029 20 5 BBBDRN Cn1cnc([N+](=O)[O-])c1N[C@@H]1CC(=O)N(C)C1 ZINC000299676282 173195717 /nfs/dbraw/zinc/19/57/17/173195717.db2.gz QELFKYBOEXEFKB-ZCFIWIBFSA-N 0 0 239.235 -0.029 20 5 BBBDRN Nc1nc(N2CCC[C@H]2CO)ncc1[N+](=O)[O-] ZINC000301183501 388661485 /nfs/dbraw/zinc/66/14/85/388661485.db2.gz IPCNSGDDJVVJPH-LURJTMIESA-N 0 0 239.235 -0.072 20 5 BBBDRN Nc1nc(N2CC[C@H](CO)C2)ncc1[N+](=O)[O-] ZINC000301374610 398270851 /nfs/dbraw/zinc/27/08/51/398270851.db2.gz VPTFFFUKVIVGDA-LURJTMIESA-N 0 0 239.235 -0.214 20 5 BBBDRN Nc1nc(N2CC[C@@H](CO)C2)ncc1[N+](=O)[O-] ZINC000301374611 398270691 /nfs/dbraw/zinc/27/06/91/398270691.db2.gz VPTFFFUKVIVGDA-ZCFIWIBFSA-N 0 0 239.235 -0.214 20 5 BBBDRN CNC(=O)[C@@H](C)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000301585463 173296107 /nfs/dbraw/zinc/29/61/07/173296107.db2.gz VVNPPQJTKSEICH-SCSAIBSYSA-N 0 0 240.223 -0.487 20 5 BBBDRN O=[N+]([O-])c1sc(NCCO)nc1NCCO ZINC000301713214 182961439 /nfs/dbraw/zinc/96/14/39/182961439.db2.gz FMOHUWCYIPHOHG-UHFFFAOYSA-N 0 0 248.264 -0.140 20 5 BBBDRN COC[C@H](Nc1ncccc1[N+](=O)[O-])C(N)=O ZINC000301827974 386882741 /nfs/dbraw/zinc/88/27/41/386882741.db2.gz FXKISLNHUBCVOY-LURJTMIESA-N 0 0 240.219 -0.098 20 5 BBBDRN COC[C@@H](Nc1ncccc1[N+](=O)[O-])C(N)=O ZINC000301827976 386882665 /nfs/dbraw/zinc/88/26/65/386882665.db2.gz FXKISLNHUBCVOY-ZCFIWIBFSA-N 0 0 240.219 -0.098 20 5 BBBDRN COC[C@@H](Nc1ccc([N+](=O)[O-])cn1)C(N)=O ZINC000301835036 388683375 /nfs/dbraw/zinc/68/33/75/388683375.db2.gz KVQLXISCEKGKTQ-SSDOTTSWSA-N 0 0 240.219 -0.098 20 5 BBBDRN COC[C@H](Nc1ccc([N+](=O)[O-])cn1)C(N)=O ZINC000301835037 386882894 /nfs/dbraw/zinc/88/28/94/386882894.db2.gz KVQLXISCEKGKTQ-ZETCQYMHSA-N 0 0 240.219 -0.098 20 5 BBBDRN O=[N+]([O-])c1cnc2ccc(N3CC(O)C3)nn21 ZINC000301997246 388730192 /nfs/dbraw/zinc/73/01/92/388730192.db2.gz PCTKOYDWMMUWFL-UHFFFAOYSA-N 0 0 235.203 -0.182 20 5 BBBDRN CCNC(=O)CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000302024521 170067975 /nfs/dbraw/zinc/06/79/75/170067975.db2.gz PKBMEFLLKFFMHH-UHFFFAOYSA-N 0 0 240.223 -0.485 20 5 BBBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](C)O ZINC000305053197 180059798 /nfs/dbraw/zinc/05/97/98/180059798.db2.gz FOZUFSKYSYDOKJ-LURJTMIESA-N 0 0 242.235 -0.403 20 5 BBBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](C)O ZINC000305053208 180060033 /nfs/dbraw/zinc/06/00/33/180060033.db2.gz FOZUFSKYSYDOKJ-ZCFIWIBFSA-N 0 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BBBDRN Nc1ccc(NC(CO)CO)nc1[N+](=O)[O-] ZINC000309258591 350243257 /nfs/dbraw/zinc/24/32/57/350243257.db2.gz HESNQNNMMWMGIP-UHFFFAOYSA-N 0 0 228.208 -0.663 20 5 BBBDRN C[S@](=O)CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000309289202 631993532 /nfs/dbraw/zinc/99/35/32/631993532.db2.gz PREDRVHZOALFFD-INIZCTEOSA-N 0 0 245.264 -0.243 20 5 BBBDRN C[S@@](=O)CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000309289203 631994467 /nfs/dbraw/zinc/99/44/67/631994467.db2.gz PREDRVHZOALFFD-MRXNPFEDSA-N 0 0 245.264 -0.243 20 5 BBBDRN Cc1nnnn1-c1ncc([N+](=O)[O-])c(N)n1 ZINC000309300703 384799142 /nfs/dbraw/zinc/79/91/42/384799142.db2.gz TWBYMZJIZYZCCU-UHFFFAOYSA-N 0 0 222.168 -0.749 20 5 BBBDRN CNC(=O)[C@H](CO)Nc1ncc([N+](=O)[O-])s1 ZINC000309426267 173304582 /nfs/dbraw/zinc/30/45/82/173304582.db2.gz FHYSTBBSDISHAL-BYPYZUCNSA-N 0 0 246.248 -0.430 20 5 BBBDRN CNC(=O)[C@@H](CO)Nc1ncc([N+](=O)[O-])s1 ZINC000309426270 173296582 /nfs/dbraw/zinc/29/65/82/173296582.db2.gz FHYSTBBSDISHAL-SCSAIBSYSA-N 0 0 246.248 -0.430 20 5 BBBDRN NC(=O)[C@H](CO)Nc1ccccc1[N+](=O)[O-] ZINC000309489697 181277180 /nfs/dbraw/zinc/27/71/80/181277180.db2.gz HXWWJNJSRQCHRS-ZETCQYMHSA-N 0 0 225.204 -0.147 20 5 BBBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)NCCO ZINC000309537591 181797838 /nfs/dbraw/zinc/79/78/38/181797838.db2.gz FPOLXGYPHLUBBH-UHFFFAOYSA-N 0 0 226.192 -0.706 20 5 BBBDRN Cn1nncc1Cn1ncc([N+](=O)[O-])c1N ZINC000309543025 180872864 /nfs/dbraw/zinc/87/28/64/180872864.db2.gz HBFIIFLYBSQXCE-UHFFFAOYSA-N 0 0 223.196 -0.450 20 5 BBBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)OCCO ZINC000309556668 633198236 /nfs/dbraw/zinc/19/82/36/633198236.db2.gz MTKIGYWVMKFYLM-UHFFFAOYSA-N 0 0 227.176 -0.279 20 5 BBBDRN NC(=O)[C@H](CO)Nc1ncccc1[N+](=O)[O-] ZINC000309597122 181276970 /nfs/dbraw/zinc/27/69/70/181276970.db2.gz UZOSGFCNVZQORY-YFKPBYRVSA-N 0 0 226.192 -0.752 20 5 BBBDRN Nc1cccc([N+](=O)[O-])c1C(=O)NCCO ZINC000309628995 187483022 /nfs/dbraw/zinc/48/30/22/187483022.db2.gz QSRRTZNSYPPPJJ-UHFFFAOYSA-N 0 0 225.204 -0.101 20 5 BBBDRN C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)[O-] ZINC000309657185 601304230 /nfs/dbraw/zinc/30/42/30/601304230.db2.gz ZTZUFTSGZFQQNR-UHFFFAOYSA-N 0 0 228.208 -0.192 20 5 BBBDRN CN(CC(N)=O)c1ccc(N)c([N+](=O)[O-])n1 ZINC000309743246 370253513 /nfs/dbraw/zinc/25/35/13/370253513.db2.gz IKNBXIZMFBSHBY-UHFFFAOYSA-N 0 0 225.208 -0.507 20 5 BBBDRN CNC(=O)[C@@H](O)CNc1ncc([N+](=O)[O-])s1 ZINC000309983963 634029424 /nfs/dbraw/zinc/02/94/24/634029424.db2.gz XKCWMJQWYAPSKH-BYPYZUCNSA-N 0 0 246.248 -0.430 20 5 BBBDRN CNC(=O)[C@H](O)CNc1ncc([N+](=O)[O-])s1 ZINC000309983967 634028285 /nfs/dbraw/zinc/02/82/85/634028285.db2.gz XKCWMJQWYAPSKH-SCSAIBSYSA-N 0 0 246.248 -0.430 20 5 BBBDRN COC[C@@H](O)CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000310210977 632708113 /nfs/dbraw/zinc/70/81/13/632708113.db2.gz FAGMCSIXXNABGZ-LURJTMIESA-N 0 0 242.235 -0.009 20 5 BBBDRN COC[C@H](O)CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000310210978 370321339 /nfs/dbraw/zinc/32/13/39/370321339.db2.gz FAGMCSIXXNABGZ-ZCFIWIBFSA-N 0 0 242.235 -0.009 20 5 BBBDRN NC(=O)[C@H](O)CNc1c(F)cccc1[N+](=O)[O-] ZINC000310238952 181277896 /nfs/dbraw/zinc/27/78/96/181277896.db2.gz LFMDOZFPGDPNRA-SSDOTTSWSA-N 0 0 243.194 -0.008 20 5 BBBDRN NC(=O)[C@@H](O)CNc1c(F)cccc1[N+](=O)[O-] ZINC000310238953 181266818 /nfs/dbraw/zinc/26/68/18/181266818.db2.gz LFMDOZFPGDPNRA-ZETCQYMHSA-N 0 0 243.194 -0.008 20 5 BBBDRN Nc1ccc(NCCOCCO)nc1[N+](=O)[O-] ZINC000310289190 370332780 /nfs/dbraw/zinc/33/27/80/370332780.db2.gz YMYULPRVBBAEJX-UHFFFAOYSA-N 0 0 242.235 -0.007 20 5 BBBDRN COC[C@H](CO)Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000310436116 347283694 /nfs/dbraw/zinc/28/36/94/347283694.db2.gz RENFJIBTJGMMRC-LURJTMIESA-N 0 0 242.235 -0.009 20 5 BBBDRN COC[C@@H](CO)Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000310436117 370345889 /nfs/dbraw/zinc/34/58/89/370345889.db2.gz RENFJIBTJGMMRC-ZCFIWIBFSA-N 0 0 242.235 -0.009 20 5 BBBDRN Nc1ccc(N2C[C@H](O)[C@@H](O)C2)nc1[N+](=O)[O-] ZINC000310557041 343536199 /nfs/dbraw/zinc/53/61/99/343536199.db2.gz YUTWVZUVRQRTDV-BQBZGAKWSA-N 0 0 240.219 -0.886 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NC(=O)[C@@H](CO)Nc1ncccc1[N+](=O)[O-] ZINC000336714369 181264931 /nfs/dbraw/zinc/26/49/31/181264931.db2.gz UZOSGFCNVZQORY-RXMQYKEDSA-N 0 0 226.192 -0.752 20 5 BBBDRN C[C@@H](O)CN(CCO)c1c([N+](=O)[O-])ncn1C ZINC000336714638 385812860 /nfs/dbraw/zinc/81/28/60/385812860.db2.gz PFCWXLIHHORVGX-SSDOTTSWSA-N 0 0 244.251 -0.492 20 5 BBBDRN C[C@H](O)CN(CCO)c1c([N+](=O)[O-])ncn1C ZINC000336714648 385811470 /nfs/dbraw/zinc/81/14/70/385811470.db2.gz PFCWXLIHHORVGX-ZETCQYMHSA-N 0 0 244.251 -0.492 20 5 BBBDRN O=[N+]([O-])c1cnc(N2C[C@H](O)C[C@H]2CO)s1 ZINC000337011387 383827361 /nfs/dbraw/zinc/82/73/61/383827361.db2.gz GSUDDUNHADJVFM-NTSWFWBYSA-N 0 0 245.260 -0.017 20 5 BBBDRN O=[N+]([O-])c1cnc(N2C[C@H](O)C[C@@H]2CO)s1 ZINC000337011388 383824830 /nfs/dbraw/zinc/82/48/30/383824830.db2.gz GSUDDUNHADJVFM-PHDIDXHHSA-N 0 0 245.260 -0.017 20 5 BBBDRN O=[N+]([O-])c1cnc(N2C[C@@H](O)C[C@@H]2CO)s1 ZINC000337011389 383825316 /nfs/dbraw/zinc/82/53/16/383825316.db2.gz GSUDDUNHADJVFM-RITPCOANSA-N 0 0 245.260 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BBBDRN CN(c1c([N+](=O)[O-])ncn1C)[C@H]1CCNC1=O ZINC000340079474 133556913 /nfs/dbraw/zinc/55/69/13/133556913.db2.gz ZBOPLXOKZRQVRW-LURJTMIESA-N 0 0 239.235 -0.347 20 5 BBBDRN CN(c1c([N+](=O)[O-])ncn1C)[C@@H]1CCNC1=O ZINC000340079475 133556990 /nfs/dbraw/zinc/55/69/90/133556990.db2.gz ZBOPLXOKZRQVRW-ZCFIWIBFSA-N 0 0 239.235 -0.347 20 5 BBBDRN CNC(=O)CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000340438867 173276396 /nfs/dbraw/zinc/27/63/96/173276396.db2.gz GPWULULBEGWZSY-UHFFFAOYSA-N 0 0 226.192 -0.601 20 5 BBBDRN CCNC(=O)CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000340457704 170063796 /nfs/dbraw/zinc/06/37/96/170063796.db2.gz OALAYIGQLMDAIN-UHFFFAOYSA-N 0 0 240.219 -0.211 20 5 BBBDRN CNC(=O)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000340614617 173216275 /nfs/dbraw/zinc/21/62/75/173216275.db2.gz OSGFPRIYWJZALB-UHFFFAOYSA-N 0 0 237.215 -0.043 20 5 BBBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)C(N)=O ZINC000340621990 384517283 /nfs/dbraw/zinc/51/72/83/384517283.db2.gz ANPLOPICIIQYAL-RXMQYKEDSA-N 0 0 240.219 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20 5 BBBDRN Nc1nc(NCc2nc[nH]n2)ncc1[N+](=O)[O-] ZINC000341800800 411921368 /nfs/dbraw/zinc/92/13/68/411921368.db2.gz SQDRDYUJQDHMEO-UHFFFAOYSA-N 0 0 236.195 -0.303 20 5 BBBDRN Cc1nn(C[C@H](O)CO)cc1[N+](=O)[O-] ZINC000342003803 180390406 /nfs/dbraw/zinc/39/04/06/180390406.db2.gz NOKXWCWUWBZQDN-LURJTMIESA-N 0 0 201.182 -0.547 20 5 BBBDRN Cc1nn(C[C@@H](O)CO)cc1[N+](=O)[O-] ZINC000342003812 180391225 /nfs/dbraw/zinc/39/12/25/180391225.db2.gz NOKXWCWUWBZQDN-ZCFIWIBFSA-N 0 0 201.182 -0.547 20 5 BBBDRN NC(=O)c1cccc(N2CC(O)C2)c1[N+](=O)[O-] ZINC000342117695 181304593 /nfs/dbraw/zinc/30/45/93/181304593.db2.gz XNBDKVSUFIHJIY-UHFFFAOYSA-N 0 0 237.215 -0.125 20 5 BBBDRN NC(=O)CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000342331449 350060831 /nfs/dbraw/zinc/06/08/31/350060831.db2.gz BNMWSPBMYOZCOT-UHFFFAOYSA-N 0 0 237.215 -0.261 20 5 BBBDRN Nc1nc(N2CC(CCO)C2)ncc1[N+](=O)[O-] ZINC000342846855 411920073 /nfs/dbraw/zinc/92/00/73/411920073.db2.gz JWRRPXVVCQVSKO-UHFFFAOYSA-N 0 0 239.235 -0.214 20 5 BBBDRN Cn1c(C(=O)Nc2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000342861698 350816912 /nfs/dbraw/zinc/81/69/12/350816912.db2.gz VULUNVOWHSGAKN-UHFFFAOYSA-N 0 0 237.179 -0.301 20 5 BBBDRN Cc1n[nH]c(C(=O)NC[C@@H](C)CO)c1[N+](=O)[O-] ZINC000343022881 135346072 /nfs/dbraw/zinc/34/60/72/135346072.db2.gz CMQDRFZCZQLOHA-RXMQYKEDSA-N 0 0 242.235 -0.015 20 5 BBBDRN Cc1n[nH]c(C(=O)NC[C@H](C)CO)c1[N+](=O)[O-] ZINC000343022882 135345941 /nfs/dbraw/zinc/34/59/41/135345941.db2.gz CMQDRFZCZQLOHA-YFKPBYRVSA-N 0 0 242.235 -0.015 20 5 BBBDRN Cc1n[nH]c(C(=O)N(C)CCO)c1[N+](=O)[O-] ZINC000343023298 135346022 /nfs/dbraw/zinc/34/60/22/135346022.db2.gz GPQMJEZGOJSLKL-UHFFFAOYSA-N 0 0 228.208 -0.309 20 5 BBBDRN CN(CC(N)=O)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000343060689 135355154 /nfs/dbraw/zinc/35/51/54/135355154.db2.gz CZPAVRZOPVBDCN-UHFFFAOYSA-N 0 0 226.192 -0.520 20 5 BBBDRN C[C@H](CO)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000343061564 135355810 /nfs/dbraw/zinc/35/58/10/135355810.db2.gz FUVKBZNJFXAYFO-SSDOTTSWSA-N 0 0 242.235 -0.322 20 5 BBBDRN C[C@@H](CO)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000343061565 135355750 /nfs/dbraw/zinc/35/57/50/135355750.db2.gz FUVKBZNJFXAYFO-ZETCQYMHSA-N 0 0 242.235 -0.322 20 5 BBBDRN COC(=O)CCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000343092599 350899538 /nfs/dbraw/zinc/89/95/38/350899538.db2.gz COINGZRJEZTJKJ-UHFFFAOYSA-N 0 0 242.191 -0.389 20 5 BBBDRN COC(=O)[C@H](C)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000343099926 536635361 /nfs/dbraw/zinc/63/53/61/536635361.db2.gz OUBRZOQCGPXEOA-BYPYZUCNSA-N 0 0 242.191 -0.391 20 5 BBBDRN COC(=O)[C@@H](C)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000343099927 135354462 /nfs/dbraw/zinc/35/44/62/135354462.db2.gz OUBRZOQCGPXEOA-SCSAIBSYSA-N 0 0 242.191 -0.391 20 5 BBBDRN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@H](O)C1 ZINC000343105240 135362712 /nfs/dbraw/zinc/36/27/12/135362712.db2.gz HXJFRSSSGGAZEX-LURJTMIESA-N 0 0 240.219 -0.085 20 5 BBBDRN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@@H](O)C1 ZINC000343105241 135363141 /nfs/dbraw/zinc/36/31/41/135363141.db2.gz 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/nfs/dbraw/zinc/66/75/58/385667558.db2.gz SSBBXFYRVCNIJK-YFKPBYRVSA-N 0 0 242.235 -0.009 20 5 BBBDRN NC(=O)[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1F ZINC000343255133 350952325 /nfs/dbraw/zinc/95/23/25/350952325.db2.gz VGZQWXFNNBASHA-MRVPVSSYSA-N 0 0 243.194 -0.008 20 5 BBBDRN NC(=O)[C@H](CO)Nc1ccc([N+](=O)[O-])cc1F ZINC000343255134 350952512 /nfs/dbraw/zinc/95/25/12/350952512.db2.gz VGZQWXFNNBASHA-QMMMGPOBSA-N 0 0 243.194 -0.008 20 5 BBBDRN NC(=O)[C@@H](CO)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000343264745 350953446 /nfs/dbraw/zinc/95/34/46/350953446.db2.gz AYZOLTIKAVRDGR-SSDOTTSWSA-N 0 0 243.194 -0.008 20 5 BBBDRN NC(=O)[C@H](CO)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000343264746 350953270 /nfs/dbraw/zinc/95/32/70/350953270.db2.gz AYZOLTIKAVRDGR-ZETCQYMHSA-N 0 0 243.194 -0.008 20 5 BBBDRN Cc1nc(N[C@@H](CO)C(N)=O)ccc1[N+](=O)[O-] ZINC000343266339 133645406 /nfs/dbraw/zinc/64/54/06/133645406.db2.gz RCKGBRVUWLGURF-LURJTMIESA-N 0 0 240.219 -0.444 20 5 BBBDRN Cc1nc(N[C@H](CO)C(N)=O)ccc1[N+](=O)[O-] ZINC000343266340 350954885 /nfs/dbraw/zinc/95/48/85/350954885.db2.gz RCKGBRVUWLGURF-ZCFIWIBFSA-N 0 0 240.219 -0.444 20 5 BBBDRN Cc1cc(N[C@@H](CO)C(N)=O)ncc1[N+](=O)[O-] ZINC000343268754 350954871 /nfs/dbraw/zinc/95/48/71/350954871.db2.gz WWAILNLLBRZJKU-LURJTMIESA-N 0 0 240.219 -0.444 20 5 BBBDRN Cc1cc(N[C@H](CO)C(N)=O)ncc1[N+](=O)[O-] ZINC000343268756 133646241 /nfs/dbraw/zinc/64/62/41/133646241.db2.gz WWAILNLLBRZJKU-ZCFIWIBFSA-N 0 0 240.219 -0.444 20 5 BBBDRN Cc1cnc(N[C@H](CO)C(N)=O)c([N+](=O)[O-])c1 ZINC000343280441 350955245 /nfs/dbraw/zinc/95/52/45/350955245.db2.gz FWBPGBSXYYTYTH-ZCFIWIBFSA-N 0 0 240.219 -0.444 20 5 BBBDRN CN(CCC(N)=O)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000343463732 350971255 /nfs/dbraw/zinc/97/12/55/350971255.db2.gz CYUFRUISHGNDDC-UHFFFAOYSA-N 0 0 241.207 -0.735 20 5 BBBDRN CC(C)(O)CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000343488283 350972534 /nfs/dbraw/zinc/97/25/34/350972534.db2.gz AXAADJMQNIHIST-UHFFFAOYSA-N 0 0 228.208 -0.181 20 5 BBBDRN O=C(NCC1(O)CCC1)c1[nH]ncc1[N+](=O)[O-] 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O=[N+]([O-])c1cccnc1N1C[C@@H](O)C[C@H]1CO ZINC000355547968 411185659 /nfs/dbraw/zinc/18/56/59/411185659.db2.gz SKQIVFVYDOLZTK-YUMQZZPRSA-N 0 0 239.231 -0.078 20 5 BBBDRN CCN(CC(N)=O)Cc1c([N+](=O)[O-])ncn1C ZINC000355555312 169741788 /nfs/dbraw/zinc/74/17/88/169741788.db2.gz HAEBMOVJPGADTJ-UHFFFAOYSA-N 0 0 241.251 -0.365 20 5 BBBDRN CN(C[C@@H](O)CO)c1ccc([N+](=O)[O-])cn1 ZINC000355738859 172804672 /nfs/dbraw/zinc/80/46/72/172804672.db2.gz JVUYJCFVACQHCA-MRVPVSSYSA-N 0 0 227.220 -0.221 20 5 BBBDRN CN(C[C@@H](O)CO)c1ncccc1[N+](=O)[O-] ZINC000355741403 172805077 /nfs/dbraw/zinc/80/50/77/172805077.db2.gz MDFLMTZTLHHIFU-SSDOTTSWSA-N 0 0 227.220 -0.221 20 5 BBBDRN CC[C@@H](O)CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000355751302 385830781 /nfs/dbraw/zinc/83/07/81/385830781.db2.gz ULMYWBARDRTHFT-RXMQYKEDSA-N 0 0 228.208 -0.181 20 5 BBBDRN CC[C@H](O)CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000355751303 385829824 /nfs/dbraw/zinc/82/98/24/385829824.db2.gz ULMYWBARDRTHFT-YFKPBYRVSA-N 0 0 228.208 -0.181 20 5 BBBDRN NC(=O)CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000356292970 181234084 /nfs/dbraw/zinc/23/40/84/181234084.db2.gz KRADAVNOXMTAHS-UHFFFAOYSA-N 0 0 212.165 -0.862 20 5 BBBDRN O=C(NC1(CCO)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000356410513 182089216 /nfs/dbraw/zinc/08/92/16/182089216.db2.gz IZVDSJPCQRAADK-UHFFFAOYSA-N 0 0 240.219 -0.037 20 5 BBBDRN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1cc[nH]n1 ZINC000356467019 412185720 /nfs/dbraw/zinc/18/57/20/412185720.db2.gz NRMHBCYGUCYIHK-UHFFFAOYSA-N 0 0 236.191 0.304 20 5 BBBDRN COC(=O)CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356494645 173603110 /nfs/dbraw/zinc/60/31/10/173603110.db2.gz ATHQJLVOTQGJTK-UHFFFAOYSA-N 0 0 242.191 -0.769 20 5 BBBDRN COCCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356507526 174328017 /nfs/dbraw/zinc/32/80/17/174328017.db2.gz MYBMLUKIODTFDQ-UHFFFAOYSA-N 0 0 228.208 -0.296 20 5 BBBDRN C[C@@H](O)CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356718925 386729668 /nfs/dbraw/zinc/72/96/68/386729668.db2.gz YNLWMWJFNFGKBH-RXMQYKEDSA-N 0 0 228.208 -0.561 20 5 BBBDRN C[C@H](O)CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356718934 386730905 /nfs/dbraw/zinc/73/09/05/386730905.db2.gz YNLWMWJFNFGKBH-YFKPBYRVSA-N 0 0 228.208 -0.561 20 5 BBBDRN C[C@@H](CCO)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356729029 398176730 /nfs/dbraw/zinc/17/67/30/398176730.db2.gz GDKVARCNMWDNBW-LURJTMIESA-N 0 0 242.235 -0.171 20 5 BBBDRN C[C@H](CCO)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356729032 398176759 /nfs/dbraw/zinc/17/67/59/398176759.db2.gz GDKVARCNMWDNBW-ZCFIWIBFSA-N 0 0 242.235 -0.171 20 5 BBBDRN Cn1nc([N+](=O)[O-])cc1C(=O)NCCCO ZINC000356734464 411498706 /nfs/dbraw/zinc/49/87/06/411498706.db2.gz VUSNTJDLQQKYPO-UHFFFAOYSA-N 0 0 228.208 -0.560 20 5 BBBDRN C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356744114 386737659 /nfs/dbraw/zinc/73/76/59/386737659.db2.gz WFBQHJLBZBWLOJ-RXMQYKEDSA-N 0 0 228.208 -0.561 20 5 BBBDRN C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356744116 386738214 /nfs/dbraw/zinc/73/82/14/386738214.db2.gz WFBQHJLBZBWLOJ-YFKPBYRVSA-N 0 0 228.208 -0.561 20 5 BBBDRN Cn1nc([N+](=O)[O-])cc1C(=O)NC(C)(C)CO ZINC000356748386 386740605 /nfs/dbraw/zinc/74/06/05/386740605.db2.gz URPAXFLRDMPOLM-UHFFFAOYSA-N 0 0 242.235 -0.171 20 5 BBBDRN C[C@H](O)CCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356748892 176964642 /nfs/dbraw/zinc/96/46/42/176964642.db2.gz VVFBLAQPADKURI-LURJTMIESA-N 0 0 242.235 -0.171 20 5 BBBDRN C[C@@H](O)CCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356748893 386742080 /nfs/dbraw/zinc/74/20/80/386742080.db2.gz VVFBLAQPADKURI-ZCFIWIBFSA-N 0 0 242.235 -0.171 20 5 BBBDRN C[C@H](CO)CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356749859 176691845 /nfs/dbraw/zinc/69/18/45/176691845.db2.gz YRPBGCAICOPBIJ-LURJTMIESA-N 0 0 242.235 -0.314 20 5 BBBDRN C[C@@H](CO)CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356749861 386742900 /nfs/dbraw/zinc/74/29/00/386742900.db2.gz YRPBGCAICOPBIJ-ZCFIWIBFSA-N 0 0 242.235 -0.314 20 5 BBBDRN Cc1cc([N+](=O)[O-])cnc1NCCn1ncnn1 ZINC000356802887 411130553 /nfs/dbraw/zinc/13/05/53/411130553.db2.gz GWWKGDUWIMYYCK-UHFFFAOYSA-N 0 0 249.234 0.397 20 5 BBBDRN Cn1nnnc1Cn1nccc1[N+](=O)[O-] ZINC000356825838 386965152 /nfs/dbraw/zinc/96/51/52/386965152.db2.gz AVTKHHCWWKOSLG-UHFFFAOYSA-N 0 0 209.169 -0.637 20 5 BBBDRN CCN(CC(N)=O)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000356896631 385974181 /nfs/dbraw/zinc/97/41/81/385974181.db2.gz AEZOLKFXWKCEPX-UHFFFAOYSA-N 0 0 241.207 -0.735 20 5 BBBDRN CCN(CC(N)=O)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000356908059 398196886 /nfs/dbraw/zinc/19/68/86/398196886.db2.gz BJDWLXBMYVIIGH-UHFFFAOYSA-N 0 0 240.219 -0.130 20 5 BBBDRN O=[N+]([O-])c1cnn(-c2ccc3nnnn3n2)c1 ZINC000356921013 398328270 /nfs/dbraw/zinc/32/82/70/398328270.db2.gz XMKOWPWBIJBHNU-UHFFFAOYSA-N 0 0 232.163 -0.387 20 5 BBBDRN Cn1nnnc1Cn1cc([N+](=O)[O-])ccc1=O ZINC000356932959 398328265 /nfs/dbraw/zinc/32/82/65/398328265.db2.gz XOTIWOKMDVSRFR-UHFFFAOYSA-N 0 0 236.191 -0.672 20 5 BBBDRN CNC(=O)Cn1cccc([N+](=O)[O-])c1=O ZINC000357035115 173284267 /nfs/dbraw/zinc/28/42/67/173284267.db2.gz IBZJSFJFMWMODH-UHFFFAOYSA-N 0 0 211.177 -0.498 20 5 BBBDRN NC(=O)c1ccnc(NCCCO)c1[N+](=O)[O-] ZINC000357079965 412294472 /nfs/dbraw/zinc/29/44/72/412294472.db2.gz DRKYQPUNWVJBEJ-UHFFFAOYSA-N 0 0 240.219 -0.117 20 5 BBBDRN C[C@@H](O)CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357303810 175984288 /nfs/dbraw/zinc/98/42/88/175984288.db2.gz PMESNTIZBDWYCC-RXMQYKEDSA-N 0 0 240.219 -0.119 20 5 BBBDRN C[C@H](O)CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357303811 388391694 /nfs/dbraw/zinc/39/16/94/388391694.db2.gz PMESNTIZBDWYCC-YFKPBYRVSA-N 0 0 240.219 -0.119 20 5 BBBDRN C[C@H](CO)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357316867 388391772 /nfs/dbraw/zinc/39/17/72/388391772.db2.gz PEWBQCRVECLYQZ-RXMQYKEDSA-N 0 0 240.219 -0.119 20 5 BBBDRN C[C@@H](CO)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357316869 386875361 /nfs/dbraw/zinc/87/53/61/386875361.db2.gz PEWBQCRVECLYQZ-YFKPBYRVSA-N 0 0 240.219 -0.119 20 5 BBBDRN Cn1cncc1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000357574753 487966096 /nfs/dbraw/zinc/96/60/96/487966096.db2.gz ABPKNWMNEGQLMX-UHFFFAOYSA-N 0 0 249.234 -0.266 20 5 BBBDRN Nc1nc(NCCc2cn[nH]c2)ncc1[N+](=O)[O-] ZINC000357624175 411920453 /nfs/dbraw/zinc/92/04/53/411920453.db2.gz ITXUJIXYPLSXRO-UHFFFAOYSA-N 0 0 249.234 -0.233 20 5 BBBDRN C[C@@H](CC(N)=O)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000357662205 411877594 /nfs/dbraw/zinc/87/75/94/411877594.db2.gz OIFZELVTCYDQHA-BYPYZUCNSA-N 0 0 240.223 -0.357 20 5 BBBDRN C[C@H](CC(N)=O)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000357662220 411917083 /nfs/dbraw/zinc/91/70/83/411917083.db2.gz OIFZELVTCYDQHA-SCSAIBSYSA-N 0 0 240.223 -0.357 20 5 BBBDRN O=C(N[C@H]1[C@@H]2COC[C@@H]21)c1[nH]ncc1[N+](=O)[O-] ZINC000357959614 182321489 /nfs/dbraw/zinc/32/14/89/182321489.db2.gz CFUJWIGMOAZMFS-KCQQBQQISA-N 0 0 238.203 -0.308 20 5 BBBDRN Cc1nn(CCS(N)(=O)=O)c(C)c1[N+](=O)[O-] ZINC000358302894 180389776 /nfs/dbraw/zinc/38/97/76/180389776.db2.gz TUXUQTOCJBMUAT-UHFFFAOYSA-N 0 0 248.264 -0.303 20 5 BBBDRN Cc1ncc([N+](=O)[O-])n1CC(=O)NC(N)=O ZINC000358444465 180176663 /nfs/dbraw/zinc/17/66/63/180176663.db2.gz ULLFYZWSCMWBTQ-UHFFFAOYSA-N 0 0 227.180 -0.705 20 5 BBBDRN CN(C)c1noc(Cn2cnc([N+](=O)[O-])n2)n1 ZINC000358570750 172591309 /nfs/dbraw/zinc/59/13/09/172591309.db2.gz RVVKMPDSXKRJAV-UHFFFAOYSA-N 0 0 239.195 -0.316 20 5 BBBDRN CNC(=O)[C@@H](CO)Nc1ccc([N+](=O)[O-])cn1 ZINC000358858539 173296304 /nfs/dbraw/zinc/29/63/04/173296304.db2.gz GYBITIZGPOBUHC-SSDOTTSWSA-N 0 0 240.219 -0.491 20 5 BBBDRN CNC(=O)[C@H](CO)Nc1ccc([N+](=O)[O-])cn1 ZINC000358858541 173304807 /nfs/dbraw/zinc/30/48/07/173304807.db2.gz GYBITIZGPOBUHC-ZETCQYMHSA-N 0 0 240.219 -0.491 20 5 BBBDRN CNC(=O)[C@H](CO)Nc1ncccc1[N+](=O)[O-] ZINC000358863865 173304847 /nfs/dbraw/zinc/30/48/47/173304847.db2.gz SROZMBCVHHGKKU-LURJTMIESA-N 0 0 240.219 -0.491 20 5 BBBDRN CNC(=O)[C@@H](CO)Nc1ncccc1[N+](=O)[O-] ZINC000358863869 173296279 /nfs/dbraw/zinc/29/62/79/173296279.db2.gz SROZMBCVHHGKKU-ZCFIWIBFSA-N 0 0 240.219 -0.491 20 5 BBBDRN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)C(N)=O ZINC000359429008 384390972 /nfs/dbraw/zinc/39/09/72/384390972.db2.gz RLJYLIDGHUPDKD-ZCFIWIBFSA-N 0 0 240.219 -0.083 20 5 BBBDRN COC1CN(C(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000359478827 174035678 /nfs/dbraw/zinc/03/56/78/174035678.db2.gz HYPOKRQURFGUGC-UHFFFAOYSA-N 0 0 240.219 -0.201 20 5 BBBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)NCCCO ZINC000359799850 181798060 /nfs/dbraw/zinc/79/80/60/181798060.db2.gz TYJOXMBMKKHLIB-UHFFFAOYSA-N 0 0 240.219 -0.316 20 5 BBBDRN Cn1cnc([N+](=O)[O-])c1N1CC(CC(N)=O)C1 ZINC000360074130 180772027 /nfs/dbraw/zinc/77/20/27/180772027.db2.gz XYQOYGBWHCXESI-UHFFFAOYSA-N 0 0 239.235 -0.360 20 5 BBBDRN Nc1nc(N[C@H]2[C@@H]3COC[C@@H]32)ncc1[N+](=O)[O-] ZINC000360116451 411923043 /nfs/dbraw/zinc/92/30/43/411923043.db2.gz SNBVJUFWCZCAMS-KCQQBQQISA-N 0 0 237.219 0.024 20 5 BBBDRN Cn1cnc([N+](=O)[O-])c1N(CCO)CCCO ZINC000360240373 383996695 /nfs/dbraw/zinc/99/66/95/383996695.db2.gz UQHDTAXTXSEAJN-UHFFFAOYSA-N 0 0 244.251 -0.491 20 5 BBBDRN CN1CN(CCn2ccc([N+](=O)[O-])n2)CC1=O ZINC000360491347 173180302 /nfs/dbraw/zinc/18/03/02/173180302.db2.gz NAJRZJQPPJWBHK-UHFFFAOYSA-N 0 0 239.235 -0.477 20 5 BBBDRN Cn1ccnc(-n2ccc([N+](=O)[O-])n2)c1=O ZINC000360522822 384946566 /nfs/dbraw/zinc/94/65/66/384946566.db2.gz VQRIWUYJMNSCBS-UHFFFAOYSA-N 0 0 221.176 -0.126 20 5 BBBDRN Cn1nc([N+](=O)[O-])cc1C(=O)NC1(CO)CC1 ZINC000360646389 384031512 /nfs/dbraw/zinc/03/15/12/384031512.db2.gz IINXCGMSRANLTK-UHFFFAOYSA-N 0 0 240.219 -0.417 20 5 BBBDRN CC[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000360668840 384035303 /nfs/dbraw/zinc/03/53/03/384035303.db2.gz LXUBROMSCKJCOR-LURJTMIESA-N 0 0 242.235 -0.171 20 5 BBBDRN CC[C@H](CO)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000360668841 384036701 /nfs/dbraw/zinc/03/67/01/384036701.db2.gz LXUBROMSCKJCOR-ZCFIWIBFSA-N 0 0 242.235 -0.171 20 5 BBBDRN Cn1nc([N+](=O)[O-])cc1C(=O)NCC(C)(C)O ZINC000360763000 384051185 /nfs/dbraw/zinc/05/11/85/384051185.db2.gz IJNBSTUQCOWOKL-UHFFFAOYSA-N 0 0 242.235 -0.171 20 5 BBBDRN C[C@@H](O)CN(C)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000360931518 398149362 /nfs/dbraw/zinc/14/93/62/398149362.db2.gz OQAKPPGCLRQWKG-RXMQYKEDSA-N 0 0 228.208 -0.229 20 5 BBBDRN O=[N+]([O-])c1cnccc1NCCn1ncnn1 ZINC000361046376 133966742 /nfs/dbraw/zinc/96/67/42/133966742.db2.gz OVEJJTUDVVRUPZ-UHFFFAOYSA-N 0 0 235.207 -0.490 20 5 BBBDRN CN(C[C@H](O)CO)c1ccncc1[N+](=O)[O-] ZINC000361063495 384183552 /nfs/dbraw/zinc/18/35/52/384183552.db2.gz RLENIHALPLPRDZ-ZETCQYMHSA-N 0 0 227.220 -0.221 20 5 BBBDRN O=[N+]([O-])c1cnn(CCN2CC[NH+]=C2[O-])c1 ZINC000361072778 384185088 /nfs/dbraw/zinc/18/50/88/384185088.db2.gz JMGGJHGFBLNIGJ-UHFFFAOYSA-N 0 0 225.208 -0.184 20 5 BBBDRN O=[N+]([O-])c1cnccc1NCC1(CO)COC1 ZINC000361075162 188243376 /nfs/dbraw/zinc/24/33/76/188243376.db2.gz XGBSEPSYIIKRKF-UHFFFAOYSA-N 0 0 239.231 -0.168 20 5 BBBDRN O=[N+]([O-])c1ccnn1CCN1CC[NH+]=C1[O-] ZINC000361086114 182805341 /nfs/dbraw/zinc/80/53/41/182805341.db2.gz MGMKIUJCYNXQQG-UHFFFAOYSA-N 0 0 225.208 -0.184 20 5 BBBDRN Cn1cc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)nn1 ZINC000361152005 398171317 /nfs/dbraw/zinc/17/13/17/398171317.db2.gz WXABFERGRSQROH-UHFFFAOYSA-N 0 0 237.179 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O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[C@](F)(CO)C1 ZINC000376564792 388722558 /nfs/dbraw/zinc/72/25/58/388722558.db2.gz IVSNEGPHARYOBP-NQMVMOMDSA-N 0 0 246.238 -0.025 20 5 BBBDRN O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCC[C@@](F)(CO)C1 ZINC000376564793 388722679 /nfs/dbraw/zinc/72/26/79/388722679.db2.gz IVSNEGPHARYOBP-WEDXCCLWSA-N 0 0 246.238 -0.025 20 5 BBBDRN O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCn2cncc2C1 ZINC000378088311 388727827 /nfs/dbraw/zinc/72/78/27/388727827.db2.gz CPAIZEDTLVITNV-BDAKNGLRSA-N 0 0 236.231 -0.110 20 5 BBBDRN O=C([C@H]1C[C@H]1[N+](=O)[O-])N1CCn2cncc2C1 ZINC000378088318 388727398 /nfs/dbraw/zinc/72/73/98/388727398.db2.gz CPAIZEDTLVITNV-DTWKUNHWSA-N 0 0 236.231 -0.110 20 5 BBBDRN O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1CCn2cncc2C1 ZINC000378088320 388727064 /nfs/dbraw/zinc/72/70/64/388727064.db2.gz CPAIZEDTLVITNV-IUCAKERBSA-N 0 0 236.231 -0.110 20 5 BBBDRN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCn2cncc2C1 ZINC000378088322 388726702 /nfs/dbraw/zinc/72/67/02/388726702.db2.gz CPAIZEDTLVITNV-RKDXNWHRSA-N 0 0 236.231 -0.110 20 5 BBBDRN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC(n2ccnn2)C1 ZINC000378548300 388728888 /nfs/dbraw/zinc/72/88/88/388728888.db2.gz KGRLLAOMSLGCNL-HTQZYQBOSA-N 0 0 237.219 -0.673 20 5 BBBDRN O=C([C@H]1C[C@H]1[N+](=O)[O-])N1CC(n2ccnn2)C1 ZINC000378548301 388728779 /nfs/dbraw/zinc/72/87/79/388728779.db2.gz KGRLLAOMSLGCNL-JGVFFNPUSA-N 0 0 237.219 -0.673 20 5 BBBDRN O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CC(n2ccnn2)C1 ZINC000378548302 182625121 /nfs/dbraw/zinc/62/51/21/182625121.db2.gz KGRLLAOMSLGCNL-SFYZADRCSA-N 0 0 237.219 -0.673 20 5 BBBDRN O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1CC(n2ccnn2)C1 ZINC000378548303 388728023 /nfs/dbraw/zinc/72/80/23/388728023.db2.gz KGRLLAOMSLGCNL-YUMQZZPRSA-N 0 0 237.219 -0.673 20 5 BBBDRN Nc1nc(N[C@@H]2CC[C@H]2O)ncc1[N+](=O)[O-] ZINC000378666119 411922742 /nfs/dbraw/zinc/92/27/42/411922742.db2.gz ASDLTAULLCICJN-INEUFUBQSA-N 0 0 225.208 -0.098 20 5 BBBDRN Nc1nc(SCCO)ncc1[N+](=O)[O-] ZINC000379600084 411921984 /nfs/dbraw/zinc/92/19/84/411921984.db2.gz KNWYTNZVDVYIJH-UHFFFAOYSA-N 0 0 216.222 0.051 20 5 BBBDRN Cc1nc(NCCn2ncnn2)ccc1[N+](=O)[O-] ZINC000380121020 411748165 /nfs/dbraw/zinc/74/81/65/411748165.db2.gz BQNLMUSILCHQQY-UHFFFAOYSA-N 0 0 249.234 0.397 20 5 BBBDRN NC(=O)c1ccccc1NCC(=O)NO ZINC000380191349 712710391 /nfs/dbraw/zinc/71/03/91/712710391.db2.gz PCMVKRZZNOGHTF-UHFFFAOYSA-N 0 0 209.205 -0.297 20 5 BBBDRN Cc1cc(NCCn2ncnn2)ncc1[N+](=O)[O-] ZINC000380204621 411650952 /nfs/dbraw/zinc/65/09/52/411650952.db2.gz RYSCNHZLCHLOPR-UHFFFAOYSA-N 0 0 249.234 0.397 20 5 BBBDRN O=c1c([N+](=O)[O-])cccn1CC1(CO)COC1 ZINC000384552288 356665677 /nfs/dbraw/zinc/66/56/77/356665677.db2.gz IJJTZQXUEACSBU-UHFFFAOYSA-N 0 0 240.215 -0.235 20 5 BBBDRN O=c1ccc([N+](=O)[O-])cn1CC1(CO)COC1 ZINC000384638549 387170636 /nfs/dbraw/zinc/17/06/36/387170636.db2.gz WXKZVGCQPFLWKP-UHFFFAOYSA-N 0 0 240.215 -0.235 20 5 BBBDRN Cn1cc(Cn2ncc([N+](=O)[O-])c2N)nn1 ZINC000390477125 347362241 /nfs/dbraw/zinc/36/22/41/347362241.db2.gz JPBLWIGFTODOQD-UHFFFAOYSA-N 0 0 223.196 -0.450 20 5 BBBDRN O=[N+]([O-])c1cc(F)cnc1N1C[C@@H](O)[C@@H](O)C1 ZINC000400337454 344494603 /nfs/dbraw/zinc/49/46/03/344494603.db2.gz FWETWDVZUSAEJK-OCAPTIKFSA-N 0 0 243.194 -0.329 20 5 BBBDRN O=[N+]([O-])c1cc(F)cnc1N1C[C@H](O)[C@@H](O)C1 ZINC000400337461 344494539 /nfs/dbraw/zinc/49/45/39/344494539.db2.gz FWETWDVZUSAEJK-YUMQZZPRSA-N 0 0 243.194 -0.329 20 5 BBBDRN Cn1cc([N+](=O)[O-])c(C(=O)N2CC(C)(O)C2)n1 ZINC000407984874 136208864 /nfs/dbraw/zinc/20/88/64/136208864.db2.gz KIBHZFXVBRVGQE-UHFFFAOYSA-N 0 0 240.219 -0.465 20 5 BBBDRN O=C(c1n[nH]cc1[N+](=O)[O-])N1CC(O)C1 ZINC000408034928 384175616 /nfs/dbraw/zinc/17/56/16/384175616.db2.gz ILAMGXJTEZNXLC-UHFFFAOYSA-N 0 0 212.165 -0.865 20 5 BBBDRN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@@H](O)C1 ZINC000408074661 136210185 /nfs/dbraw/zinc/21/01/85/136210185.db2.gz VBIXGNSNFPNTIO-RXMQYKEDSA-N 0 0 226.192 -0.475 20 5 BBBDRN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@H](O)C1 ZINC000408074664 136210107 /nfs/dbraw/zinc/21/01/07/136210107.db2.gz VBIXGNSNFPNTIO-YFKPBYRVSA-N 0 0 226.192 -0.475 20 5 BBBDRN C[C@H]1C[C@@H](O)CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000408078960 134388280 /nfs/dbraw/zinc/38/82/80/134388280.db2.gz DYVDZMWQFMTQMX-NTSWFWBYSA-N 0 0 240.219 -0.087 20 5 BBBDRN C[C@@H]1C[C@@H](O)CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000408078961 134388591 /nfs/dbraw/zinc/38/85/91/134388591.db2.gz DYVDZMWQFMTQMX-PHDIDXHHSA-N 0 0 240.219 -0.087 20 5 BBBDRN C[C@@H]1C[C@H](O)CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000408078962 134388283 /nfs/dbraw/zinc/38/82/83/134388283.db2.gz DYVDZMWQFMTQMX-RITPCOANSA-N 0 0 240.219 -0.087 20 5 BBBDRN C[C@H]1C[C@H](O)CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000408078963 134388265 /nfs/dbraw/zinc/38/82/65/134388265.db2.gz DYVDZMWQFMTQMX-WDSKDSINSA-N 0 0 240.219 -0.087 20 5 BBBDRN Cc1nn(C)c(N2CC(=O)N(C)C2)c1[N+](=O)[O-] ZINC000408148778 397937727 /nfs/dbraw/zinc/93/77/27/397937727.db2.gz IGCDTACFAKXVLL-UHFFFAOYSA-N 0 0 239.235 -0.127 20 5 BBBDRN Cn1ncc([N+](=O)[O-])c1C(=O)N1CC(C)(O)C1 ZINC000408166385 134429263 /nfs/dbraw/zinc/42/92/63/134429263.db2.gz YCNOQTBYKGYNCN-UHFFFAOYSA-N 0 0 240.219 -0.465 20 5 BBBDRN Cn1cnc([N+](=O)[O-])c1N1CC(=O)N(C)C1 ZINC000408170056 411147026 /nfs/dbraw/zinc/14/70/26/411147026.db2.gz BVTJDOAXXUXHAV-UHFFFAOYSA-N 0 0 225.208 -0.436 20 5 BBBDRN Cc1nnnn1-c1c([N+](=O)[O-])ncn1C ZINC000408178307 180453505 /nfs/dbraw/zinc/45/35/05/180453505.db2.gz WZEQVZZYHFCXHQ-UHFFFAOYSA-N 0 0 209.169 -0.388 20 5 BBBDRN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCCCO1 ZINC000408264138 344394506 /nfs/dbraw/zinc/39/45/06/344394506.db2.gz IHGOYHLYVKFLEM-UHFFFAOYSA-N 0 0 241.207 -0.260 20 5 BBBDRN Cc1n[nH]c(C(=O)N2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000408276227 344425306 /nfs/dbraw/zinc/42/53/06/344425306.db2.gz HJEBCLRSVVWUNL-ZCFIWIBFSA-N 0 0 240.219 -0.167 20 5 BBBDRN Cc1n[nH]c(C(=O)N2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000408370141 386437409 /nfs/dbraw/zinc/43/74/09/386437409.db2.gz HJEBCLRSVVWUNL-LURJTMIESA-N 0 0 240.219 -0.167 20 5 BBBDRN C[C@@]1(O)C[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000416287740 387232930 /nfs/dbraw/zinc/23/29/30/387232930.db2.gz KEACOAQAIHFGRE-LCIHJAJSSA-N 0 0 240.219 -0.039 20 5 BBBDRN NCC(F)(F)CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000423557488 388693743 /nfs/dbraw/zinc/69/37/43/388693743.db2.gz ZVQSEYPYMVJUCB-UHFFFAOYSA-N 0 0 249.177 -0.358 20 5 BBBDRN O=C(N[C@@H]1CC[C@H]1O)c1cc([N+](=O)[O-])n[nH]1 ZINC000425046333 192071563 /nfs/dbraw/zinc/07/15/63/192071563.db2.gz SALNVGLAGBVRRO-INEUFUBQSA-N 0 0 226.192 -0.429 20 5 BBBDRN Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@H]1O ZINC000425054034 192072070 /nfs/dbraw/zinc/07/20/70/192072070.db2.gz YVLBSEZBCAAVJR-IYSWYEEDSA-N 0 0 240.219 -0.419 20 5 BBBDRN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CC[C@H]1O ZINC000425059454 192072877 /nfs/dbraw/zinc/07/28/77/192072877.db2.gz LEVJGGUDXJGVQB-RNFRBKRXSA-N 0 0 240.219 -0.569 20 5 BBBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[C@H]1O ZINC000425060055 192073183 /nfs/dbraw/zinc/07/31/83/192073183.db2.gz MUWANCUEHPCURE-HTQZYQBOSA-N 0 0 240.219 -0.569 20 5 BBBDRN O=[N+]([O-])c1cnc2ccc(N[C@@H]3CC[C@H]3O)nn21 ZINC000425289590 411685649 /nfs/dbraw/zinc/68/56/49/411685649.db2.gz VTPGVCCNRFOHAC-RNFRBKRXSA-N 0 0 249.230 0.573 20 5 BBBDRN O=C(NCCO)NCCn1cc([N+](=O)[O-])cn1 ZINC000426085134 388708637 /nfs/dbraw/zinc/70/86/37/388708637.db2.gz NUWKSXGHHCKNJO-UHFFFAOYSA-N 0 0 243.223 -0.917 20 5 BBBDRN NC(=O)C1(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000426924772 191048450 /nfs/dbraw/zinc/04/84/50/191048450.db2.gz IFKQUJBGQYQJPH-UHFFFAOYSA-N 0 0 238.203 -0.329 20 5 BBBDRN NC(=O)C1(NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000426926806 191048787 /nfs/dbraw/zinc/04/87/87/191048787.db2.gz QMYDXZYUDDYBND-UHFFFAOYSA-N 0 0 239.187 -0.065 20 5 BBBDRN CCn1cc([N+](=O)[O-])c(C(=O)N2CC(O)C2)n1 ZINC000427624978 370848349 /nfs/dbraw/zinc/84/83/49/370848349.db2.gz BVRHVCSTPHHTSI-UHFFFAOYSA-N 0 0 240.219 -0.372 20 5 BBBDRN NC(=O)COc1ccc([N+](=O)[O-])c(CO)c1 ZINC000428079214 388719382 /nfs/dbraw/zinc/71/93/82/388719382.db2.gz KTLNAQVQEHTJOV-UHFFFAOYSA-N 0 0 226.188 -0.049 20 5 BBBDRN O=C1CNC(=O)N1CCn1nccc1[N+](=O)[O-] ZINC000428275872 201005333 /nfs/dbraw/zinc/00/53/33/201005333.db2.gz KACMIHKPMISUCJ-UHFFFAOYSA-N 0 0 239.191 -0.657 20 5 BBBDRN NS(=O)(=O)CCCn1nccc1[N+](=O)[O-] ZINC000428286446 201005501 /nfs/dbraw/zinc/00/55/01/201005501.db2.gz LYKPKDQHMUGNKD-UHFFFAOYSA-N 0 0 234.237 -0.530 20 5 BBBDRN Cn1nnc(Cn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000430099514 201145831 /nfs/dbraw/zinc/14/58/31/201145831.db2.gz LXIZPFBDUJODCZ-UHFFFAOYSA-N 0 0 236.191 -0.672 20 5 BBBDRN Cn1nnc(Cn2cccc([N+](=O)[O-])c2=O)n1 ZINC000430103112 201145340 /nfs/dbraw/zinc/14/53/40/201145340.db2.gz BVUDMJCBBFQZBL-UHFFFAOYSA-N 0 0 236.191 -0.672 20 5 BBBDRN Nc1nc(NCc2cccnn2)ncc1[N+](=O)[O-] ZINC000436427637 411920244 /nfs/dbraw/zinc/92/02/44/411920244.db2.gz IIPOJSXHVYPITC-UHFFFAOYSA-N 0 0 247.218 -0.209 20 5 BBBDRN Cc1nn(CC(=O)NC(N)=O)cc1[N+](=O)[O-] ZINC000436472830 201329424 /nfs/dbraw/zinc/32/94/24/201329424.db2.gz AKPXTEFAZNMNQW-UHFFFAOYSA-N 0 0 227.180 -0.705 20 5 BBBDRN Cc1nn(CCCS(N)(=O)=O)cc1[N+](=O)[O-] ZINC000436473659 385668811 /nfs/dbraw/zinc/66/88/11/385668811.db2.gz KJDRZPNORZZFDM-UHFFFAOYSA-N 0 0 248.264 -0.222 20 5 BBBDRN Cn1ccnc(-n2cc([N+](=O)[O-])cn2)c1=O ZINC000439599129 386789019 /nfs/dbraw/zinc/78/90/19/386789019.db2.gz WGXNVCDOMOXXKA-UHFFFAOYSA-N 0 0 221.176 -0.126 20 5 BBBDRN Nc1nc(=NCC[NH+]2CCC2)[n-]cc1[N+](=O)[O-] ZINC000443885753 411918054 /nfs/dbraw/zinc/91/80/54/411918054.db2.gz AVNHCFIBTPFIRH-UHFFFAOYSA-N 0 0 238.251 -0.494 20 5 BBBDRN O=[N+]([O-])c1cnc2ccc(N[C@H]3C[C@@H](O)C3)nn21 ZINC000450923705 411684904 /nfs/dbraw/zinc/68/49/04/411684904.db2.gz DMZKOZNLOXRHAN-LJGSYFOKSA-N 0 0 249.230 0.573 20 5 BBBDRN CNc1nc(C(=O)NCCO)ccc1[N+](=O)[O-] ZINC000454159256 386455184 /nfs/dbraw/zinc/45/51/84/386455184.db2.gz NGZOHLUPKHTCFA-UHFFFAOYSA-N 0 0 240.219 -0.246 20 5 BBBDRN 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0 0 240.219 -0.100 20 5 BBBDRN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCOCCN1 ZINC000597707705 348786833 /nfs/dbraw/zinc/78/68/33/348786833.db2.gz SMCSDQBOLBECJS-UHFFFAOYSA-N 0 0 240.219 -0.100 20 5 BBBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCOC1 ZINC000597720927 348790611 /nfs/dbraw/zinc/79/06/11/348790611.db2.gz CMDOOFCXDWJIDY-UHFFFAOYSA-N 0 0 240.219 -0.002 20 5 BBBDRN O=C(Cn1ccc([N+](=O)[O-])n1)N1CCOC1 ZINC000597720985 348790624 /nfs/dbraw/zinc/79/06/24/348790624.db2.gz GAMPDJHAXOFNMY-UHFFFAOYSA-N 0 0 226.192 -0.392 20 5 BBBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCOC1 ZINC000597721024 348790777 /nfs/dbraw/zinc/79/07/77/348790777.db2.gz IQOCYINTAFOOKO-UHFFFAOYSA-N 0 0 240.219 -0.084 20 5 BBBDRN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCOC1 ZINC000597721359 348790847 /nfs/dbraw/zinc/79/08/47/348790847.db2.gz UXZGXAUPMXZIAZ-UHFFFAOYSA-N 0 0 227.180 -0.997 20 5 BBBDRN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCOC1 ZINC000597722603 348791218 /nfs/dbraw/zinc/79/12/18/348791218.db2.gz GGUBTFZRKKYDJL-UHFFFAOYSA-N 0 0 212.165 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/nfs/dbraw/zinc/95/47/62/348954762.db2.gz XGZOQULWZSNZHA-YFKPBYRVSA-N 0 0 240.219 -0.039 20 5 BBBDRN O=C(N[C@H]1C[C@H](O)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000598527536 348983763 /nfs/dbraw/zinc/98/37/63/348983763.db2.gz BEBNBHISDDDQNJ-URHBZAFASA-N 0 0 226.192 -0.429 20 5 BBBDRN O=C(N[C@H]1C[C@H](O)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000598527543 348984043 /nfs/dbraw/zinc/98/40/43/348984043.db2.gz BOMGUCRIYFJYPT-URHBZAFASA-N 0 0 226.192 -0.429 20 5 BBBDRN O=C(N[C@H]1C[C@H](O)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000598528301 348984631 /nfs/dbraw/zinc/98/46/31/348984631.db2.gz MUBJBQLTHNCFHK-URHBZAFASA-N 0 0 226.192 -0.429 20 5 BBBDRN Cc1n[nH]c(C(=O)N[C@H]2C[C@H](O)C2)c1[N+](=O)[O-] ZINC000598530088 348985102 /nfs/dbraw/zinc/98/51/02/348985102.db2.gz OMSQGZYGVJEEJE-IZLXSQMJSA-N 0 0 240.219 -0.121 20 5 BBBDRN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1C[C@H](O)C1 ZINC000598530141 348985123 /nfs/dbraw/zinc/98/51/23/348985123.db2.gz PRNBMTNMQVFIBL-LJGSYFOKSA-N 0 0 240.219 -0.569 20 5 BBBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1C[C@H](O)C1 ZINC000598530478 348985371 /nfs/dbraw/zinc/98/53/71/348985371.db2.gz ROJNNIHDPTXJQS-FKQCQYRASA-N 0 0 240.219 -0.569 20 5 BBBDRN CNS(=O)(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000598708169 349023805 /nfs/dbraw/zinc/02/38/05/349023805.db2.gz GWCRDKWDYGGPHG-UHFFFAOYSA-N 0 0 234.237 -0.660 20 5 BBBDRN CNS(=O)(=O)CCn1cnc([N+](=O)[O-])c1 ZINC000598708224 349023800 /nfs/dbraw/zinc/02/38/00/349023800.db2.gz HJISMXJELUGRJR-UHFFFAOYSA-N 0 0 234.237 -0.660 20 5 BBBDRN CNS(=O)(=O)CCn1nccc1[N+](=O)[O-] ZINC000598708736 349024551 /nfs/dbraw/zinc/02/45/51/349024551.db2.gz IEILOTASHXPEPQ-UHFFFAOYSA-N 0 0 234.237 -0.660 20 5 BBBDRN CNS(=O)(=O)CCn1cc([N+](=O)[O-])c(C)n1 ZINC000598710361 349024669 /nfs/dbraw/zinc/02/46/69/349024669.db2.gz ATNBLHIPASUMJB-UHFFFAOYSA-N 0 0 248.264 -0.351 20 5 BBBDRN CNS(=O)(=O)CCn1c(C)ncc1[N+](=O)[O-] ZINC000598712078 349025334 /nfs/dbraw/zinc/02/53/34/349025334.db2.gz YDEVHQVRNXGIOU-UHFFFAOYSA-N 0 0 248.264 -0.351 20 5 BBBDRN O=C(NC1(CO)CCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000598739561 349036166 /nfs/dbraw/zinc/03/61/66/349036166.db2.gz FADGMNMRISRPOO-UHFFFAOYSA-N 0 0 240.219 -0.037 20 5 BBBDRN O=[N+]([O-])c1cnc(N2C[C@H](O)[C@@H](O)C2)c(F)c1 ZINC000599126134 349102040 /nfs/dbraw/zinc/10/20/40/349102040.db2.gz WKDDSMBZFWUTFW-YUMQZZPRSA-N 0 0 243.194 -0.329 20 5 BBBDRN O=[N+]([O-])c1ncccc1N1C[C@H](O)[C@@H](O)C1 ZINC000599126341 349102255 /nfs/dbraw/zinc/10/22/55/349102255.db2.gz CMCBHPVCYYWKOW-YUMQZZPRSA-N 0 0 225.204 -0.468 20 5 BBBDRN NC(=O)[C@@H]1CCCN1c1ncc([N+](=O)[O-])cn1 ZINC000599152602 349106985 /nfs/dbraw/zinc/10/69/85/349106985.db2.gz KIJGYTBPGCIEIF-ZETCQYMHSA-N 0 0 237.219 -0.161 20 5 BBBDRN Nc1nc(NC[C@H]2C[C@@H](O)C2)ncc1[N+](=O)[O-] ZINC000599174876 411920131 /nfs/dbraw/zinc/92/01/31/411920131.db2.gz JEZQLNXWLALPRX-IZLXSQMJSA-N 0 0 239.235 -0.428 20 5 BBBDRN O=[N+]([O-])c1cnc(NC[C@H]2C[C@@H](O)C2)nc1 ZINC000599174941 411684755 /nfs/dbraw/zinc/68/47/55/411684755.db2.gz MYLYGIOHQNRWAN-FKQCQYRASA-N 0 0 224.220 0.568 20 5 BBBDRN O=[N+]([O-])c1cnc(NCC2COC2)nc1 ZINC000599175913 411685134 /nfs/dbraw/zinc/68/51/34/411685134.db2.gz PVQMEOITBLMKBF-UHFFFAOYSA-N 0 0 210.193 0.443 20 5 BBBDRN Nc1nc(NCC2COC2)ncc1[N+](=O)[O-] ZINC000599176685 411918404 /nfs/dbraw/zinc/91/84/04/411918404.db2.gz YDESGSVWXPUNHA-UHFFFAOYSA-N 0 0 225.208 -0.553 20 5 BBBDRN Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCOC[C@H]1O ZINC000599179495 349121378 /nfs/dbraw/zinc/12/13/78/349121378.db2.gz XEGIACYNSSCGKM-RNFRBKRXSA-N 0 0 242.235 -0.110 20 5 BBBDRN CN(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599202365 349118058 /nfs/dbraw/zinc/11/80/58/349118058.db2.gz CLDIREOJJFHDFP-UHFFFAOYSA-N 0 0 234.237 -0.421 20 5 BBBDRN CCN(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599226823 349128068 /nfs/dbraw/zinc/12/80/68/349128068.db2.gz JCRHANFEHJRZSI-UHFFFAOYSA-N 0 0 248.264 -0.031 20 5 BBBDRN Cc1noc(CN2C[C@H](O)[C@@H](O)C2)c1[N+](=O)[O-] ZINC000599531867 349210640 /nfs/dbraw/zinc/21/06/40/349210640.db2.gz SQXURMBAJGJTHW-BQBZGAKWSA-N 0 0 243.219 -0.571 20 5 BBBDRN CC[C@H](O)CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000600002680 349280025 /nfs/dbraw/zinc/28/00/25/349280025.db2.gz CBQILRQMYZZKHD-YFKPBYRVSA-N 0 0 228.208 -0.181 20 5 BBBDRN C/C=C\CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000600490858 344235533 /nfs/dbraw/zinc/23/55/33/344235533.db2.gz IYDNEYWQHRKFQY-IHWYPQMZSA-N 0 0 225.208 -0.121 20 5 BBBDRN C/C=C/CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000600490867 371674563 /nfs/dbraw/zinc/67/45/63/371674563.db2.gz IYDNEYWQHRKFQY-NSCUHMNNSA-N 0 0 225.208 -0.121 20 5 BBBDRN O=C(NC[C@H]1C[C@@H](O)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000600512072 371677988 /nfs/dbraw/zinc/67/79/88/371677988.db2.gz UPOKFIUUNSJKGP-OLQVQODUSA-N 0 0 240.219 -0.181 20 5 BBBDRN O=C(NCC1COC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000600575701 344290778 /nfs/dbraw/zinc/29/07/78/344290778.db2.gz XUKQJDZLLNMSSO-UHFFFAOYSA-N 0 0 226.192 -0.306 20 5 BBBDRN CN(C[C@H](O)CO)c1ncc(F)cc1[N+](=O)[O-] ZINC000601136502 371729753 /nfs/dbraw/zinc/72/97/53/371729753.db2.gz GMYXRJABHQENLB-ZETCQYMHSA-N 0 0 245.210 -0.082 20 5 BBBDRN O=[N+]([O-])c1cc(F)cnc1N1CC(O)(CO)C1 ZINC000601170395 371733634 /nfs/dbraw/zinc/73/36/34/371733634.db2.gz QOPMNUZBFDHGMY-UHFFFAOYSA-N 0 0 243.194 -0.328 20 5 BBBDRN O=[N+]([O-])c1ncccc1N1C[C@H](O)[C@@H](CO)C1 ZINC000601173486 371733496 /nfs/dbraw/zinc/73/34/96/371733496.db2.gz COYGEWQHNFXTIY-APPZFPTMSA-N 0 0 239.231 -0.221 20 5 BBBDRN O=[N+]([O-])c1ncccc1N1C[C@H](O)[C@H](CO)C1 ZINC000601173487 371733782 /nfs/dbraw/zinc/73/37/82/371733782.db2.gz COYGEWQHNFXTIY-CBAPKCEASA-N 0 0 239.231 -0.221 20 5 BBBDRN O=[N+]([O-])c1ncccc1N1C[C@@H](O)[C@H](CO)C1 ZINC000601173488 371733240 /nfs/dbraw/zinc/73/32/40/371733240.db2.gz COYGEWQHNFXTIY-IONNQARKSA-N 0 0 239.231 -0.221 20 5 BBBDRN O=[N+]([O-])c1ncccc1N1C[C@H](CO)[C@H](O)C1 ZINC000601173489 371735138 /nfs/dbraw/zinc/73/51/38/371735138.db2.gz COYGEWQHNFXTIY-VXNVDRBHSA-N 0 0 239.231 -0.221 20 5 BBBDRN CC1(NC(=O)Cn2cc([N+](=O)[O-])cn2)COC1 ZINC000601797241 371768387 /nfs/dbraw/zinc/76/83/87/371768387.db2.gz NSWRORHWIMDFEP-UHFFFAOYSA-N 0 0 240.219 -0.304 20 5 BBBDRN Cn1cc([N+](=O)[O-])c(C(=O)NC2(C)COC2)n1 ZINC000601797723 371767778 /nfs/dbraw/zinc/76/77/78/371767778.db2.gz OHQPOOMAEFFOQE-UHFFFAOYSA-N 0 0 240.219 -0.153 20 5 BBBDRN CC1(NC(=O)Cn2ccc([N+](=O)[O-])n2)COC1 ZINC000601797817 371767580 /nfs/dbraw/zinc/76/75/80/371767580.db2.gz PVLFNXWLBBRPBX-UHFFFAOYSA-N 0 0 240.219 -0.304 20 5 BBBDRN Cn1ncc([N+](=O)[O-])c1C(=O)NC1(C)COC1 ZINC000601797864 371767983 /nfs/dbraw/zinc/76/79/83/371767983.db2.gz QWODBBFXKOVJLY-UHFFFAOYSA-N 0 0 240.219 -0.153 20 5 BBBDRN CCn1cc([N+](=O)[O-])c(C(=O)NC2COC2)n1 ZINC000601842501 371769798 /nfs/dbraw/zinc/76/97/98/371769798.db2.gz IFTHFDAZICZGNK-UHFFFAOYSA-N 0 0 240.219 -0.060 20 5 BBBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)NC1COC1 ZINC000601843141 371770723 /nfs/dbraw/zinc/77/07/23/371770723.db2.gz OJKRFMQAMZGIDK-UHFFFAOYSA-N 0 0 240.219 -0.385 20 5 BBBDRN O=C(CCn1cc([N+](=O)[O-])cn1)NC1COC1 ZINC000601844260 371770733 /nfs/dbraw/zinc/77/07/33/371770733.db2.gz ZWIOSXTZMRTCLO-UHFFFAOYSA-N 0 0 240.219 -0.304 20 5 BBBDRN COCCOC[C@H](O)Cn1ccnc1[N+](=O)[O-] ZINC000601966310 371779181 /nfs/dbraw/zinc/77/91/81/371779181.db2.gz ZCKGEFSBFOKOGT-MRVPVSSYSA-N 0 0 245.235 -0.185 20 5 BBBDRN COCCOC[C@@H](O)Cn1ccnc1[N+](=O)[O-] ZINC000601966311 371779367 /nfs/dbraw/zinc/77/93/67/371779367.db2.gz ZCKGEFSBFOKOGT-QMMMGPOBSA-N 0 0 245.235 -0.185 20 5 BBBDRN CN(CCO)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602430366 342912221 /nfs/dbraw/zinc/91/22/21/342912221.db2.gz YZDWENNPAJXZNB-UHFFFAOYSA-N 0 0 214.225 -0.248 20 5 BBBDRN Cn1cc(CN2CCNC(=O)C2)c([N+](=O)[O-])n1 ZINC000602436104 342913457 /nfs/dbraw/zinc/91/34/57/342913457.db2.gz WVBCQPPPERYUDD-UHFFFAOYSA-N 0 0 239.235 -0.740 20 5 BBBDRN Cn1cc(CN2CC[C@@H](O)C2)c([N+](=O)[O-])n1 ZINC000602436910 371803686 /nfs/dbraw/zinc/80/36/86/371803686.db2.gz AMZYCVXTOJBBEI-MRVPVSSYSA-N 0 0 226.236 -0.105 20 5 BBBDRN Cn1cc(CN2CC[C@H](O)C2)c([N+](=O)[O-])n1 ZINC000602440701 371805189 /nfs/dbraw/zinc/80/51/89/371805189.db2.gz AMZYCVXTOJBBEI-QMMMGPOBSA-N 0 0 226.236 -0.105 20 5 BBBDRN COC(=O)CN(C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602440782 371805489 /nfs/dbraw/zinc/80/54/89/371805489.db2.gz BDDQPGRKDPUGNQ-UHFFFAOYSA-N 0 0 242.235 -0.067 20 5 BBBDRN Cn1cc(CN2CC(=O)N(C)C2)c([N+](=O)[O-])n1 ZINC000602597043 371822148 /nfs/dbraw/zinc/82/21/48/371822148.db2.gz QOKRHLOLCGHEJC-UHFFFAOYSA-N 0 0 239.235 -0.440 20 5 BBBDRN CNC(=O)CN(C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602715483 371831689 /nfs/dbraw/zinc/83/16/89/371831689.db2.gz NUIXFMLWKLLSPY-UHFFFAOYSA-N 0 0 241.251 -0.494 20 5 BBBDRN Cn1cc(CN2C[C@H]3C[C@@]3(O)C2)c([N+](=O)[O-])n1 ZINC000603086913 371866855 /nfs/dbraw/zinc/86/68/55/371866855.db2.gz MCIQRBRCTOWDOS-PSASIEDQSA-N 0 0 238.247 -0.105 20 5 BBBDRN Cn1cc(CN2C[C@@H]3C[C@]3(O)C2)c([N+](=O)[O-])n1 ZINC000603086916 371867907 /nfs/dbraw/zinc/86/79/07/371867907.db2.gz MCIQRBRCTOWDOS-WPRPVWTQSA-N 0 0 238.247 -0.105 20 5 BBBDRN Cn1cc(Cn2ncsc2=O)c([N+](=O)[O-])n1 ZINC000603327346 371883990 /nfs/dbraw/zinc/88/39/90/371883990.db2.gz OKDMDTCJSPQRNI-UHFFFAOYSA-N 0 0 241.232 -0.005 20 5 BBBDRN Cn1cc(Cn2ccnn2)c([N+](=O)[O-])n1 ZINC000603333615 371885607 /nfs/dbraw/zinc/88/56/07/371885607.db2.gz HXKZVAUJEFYPAV-UHFFFAOYSA-N 0 0 208.181 -0.032 20 5 BBBDRN Cn1nnn(Cc2csc([N+](=O)[O-])c2)c1=O ZINC000603353940 371887515 /nfs/dbraw/zinc/88/75/15/371887515.db2.gz NJFPHBLNVIDWLZ-UHFFFAOYSA-N 0 0 241.232 -0.005 20 5 BBBDRN O=[N+]([O-])c1cnc(NCCF)nc1NCCF ZINC000603365335 349933753 /nfs/dbraw/zinc/93/37/53/349933753.db2.gz GDCYKRVYISBWRZ-UHFFFAOYSA-N 0 0 247.205 -0.009 20 5 BBBDRN Cn1cc(Cn2cncn2)c([N+](=O)[O-])n1 ZINC000603419347 371892902 /nfs/dbraw/zinc/89/29/02/371892902.db2.gz CQDXTCFRRQSVQS-UHFFFAOYSA-N 0 0 208.181 -0.032 20 5 BBBDRN Cn1cnc([N+](=O)[O-])c1N1C[C@H]2C[C@@]2(O)C1 ZINC000603419591 371892999 /nfs/dbraw/zinc/89/29/99/371892999.db2.gz DJMFCMTWYFYNFV-HZGVNTEJSA-N 0 0 224.220 -0.101 20 5 BBBDRN Cn1cnc([N+](=O)[O-])c1N1C[C@@H]2C[C@]2(O)C1 ZINC000603419595 344514032 /nfs/dbraw/zinc/51/40/32/344514032.db2.gz DJMFCMTWYFYNFV-RCOVLWMOSA-N 0 0 224.220 -0.101 20 5 BBBDRN O=[N+]([O-])c1cnc(N2C[C@H]3C[C@@]3(O)C2)nc1 ZINC000603420572 371892886 /nfs/dbraw/zinc/89/28/86/371892886.db2.gz MDNHKOVWZLZHBX-HZGVNTEJSA-N 0 0 222.204 -0.044 20 5 BBBDRN O=[N+]([O-])c1cnc(N2C[C@@H]3C[C@]3(O)C2)nc1 ZINC000603420575 371892334 /nfs/dbraw/zinc/89/23/34/371892334.db2.gz MDNHKOVWZLZHBX-RCOVLWMOSA-N 0 0 222.204 -0.044 20 5 BBBDRN O=C1CN(c2cccnc2[N+](=O)[O-])CCN1 ZINC000603838211 371933023 /nfs/dbraw/zinc/93/30/23/371933023.db2.gz ISLOIDJGPLDJES-UHFFFAOYSA-N 0 0 222.204 -0.074 20 5 BBBDRN CN(CC(N)=O)c1cccnc1[N+](=O)[O-] ZINC000603855930 371936851 /nfs/dbraw/zinc/93/68/51/371936851.db2.gz IKPRCVMNIAJDIY-UHFFFAOYSA-N 0 0 210.193 -0.089 20 5 BBBDRN Nc1nc(NCc2cocn2)ncc1[N+](=O)[O-] ZINC000609350796 411919730 /nfs/dbraw/zinc/91/97/30/411919730.db2.gz NJCOXSPKPIZGHQ-UHFFFAOYSA-N 0 0 236.191 -0.011 20 5 BBBDRN CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610260143 343937096 /nfs/dbraw/zinc/93/70/96/343937096.db2.gz QKVJMPMYCDKLIG-UHFFFAOYSA-N 0 0 217.206 -0.102 20 5 BBBDRN Nc1nc(NCc2cn[nH]n2)ncc1[N+](=O)[O-] ZINC000610497294 411920683 /nfs/dbraw/zinc/92/06/83/411920683.db2.gz AOCZTHUFAIIKKO-UHFFFAOYSA-N 0 0 236.195 -0.881 20 5 BBBDRN COC(=O)C[C@@H](O)Cn1cnc([N+](=O)[O-])c1 ZINC000610510020 343965889 /nfs/dbraw/zinc/96/58/89/343965889.db2.gz IKKCJOHJKTZJPB-ZCFIWIBFSA-N 0 0 229.192 -0.285 20 5 BBBDRN O=[N+]([O-])c1ncccc1N1C[C@@H](O)[C@@H](O)C1 ZINC000610573407 343972486 /nfs/dbraw/zinc/97/24/86/343972486.db2.gz CMCBHPVCYYWKOW-OCAPTIKFSA-N 0 0 225.204 -0.468 20 5 BBBDRN O=[N+]([O-])c1ncccc1N1C[C@H](O)C[C@H](O)C1 ZINC000610588054 343974231 /nfs/dbraw/zinc/97/42/31/343974231.db2.gz AHJBZHNMXUXTFQ-OCAPTIKFSA-N 0 0 239.231 -0.078 20 5 BBBDRN O=[N+]([O-])c1cnccc1N1C[C@H](O)C[C@H](O)C1 ZINC000610588194 358006140 /nfs/dbraw/zinc/00/61/40/358006140.db2.gz KUAFQTRIQUELTM-OCAPTIKFSA-N 0 0 239.231 -0.078 20 5 BBBDRN O=[N+]([O-])c1cccnc1N1C[C@H](O)C[C@H](O)C1 ZINC000610588212 358005935 /nfs/dbraw/zinc/00/59/35/358005935.db2.gz NEDGEXVRSDJBMQ-OCAPTIKFSA-N 0 0 239.231 -0.078 20 5 BBBDRN Cn1cnc([N+](=O)[O-])c1N1C[C@H](O)C[C@H](O)C1 ZINC000610588266 343973728 /nfs/dbraw/zinc/97/37/28/343973728.db2.gz SMMCTHQTLLOXML-KNVOCYPGSA-N 0 0 242.235 -0.740 20 5 BBBDRN O=[N+]([O-])c1ccc(N2C[C@H](O)C[C@H](O)C2)nc1 ZINC000610588272 358006649 /nfs/dbraw/zinc/00/66/49/358006649.db2.gz SUWPTLINEMRACJ-DTORHVGOSA-N 0 0 239.231 -0.078 20 5 BBBDRN O=[N+]([O-])c1ccc(N2C[C@H](O)C[C@H](O)C2)cn1 ZINC000610588286 631501494 /nfs/dbraw/zinc/50/14/94/631501494.db2.gz UUOLLLOOUUIZNG-DTORHVGOSA-N 0 0 239.231 -0.078 20 5 BBBDRN O=C(CNc1cccnc1[N+](=O)[O-])NCCO ZINC000610734432 344116085 /nfs/dbraw/zinc/11/60/85/344116085.db2.gz XDSDVWRFLPNPJT-UHFFFAOYSA-N 0 0 240.219 -0.490 20 5 BBBDRN O=C(NCc1nnn[n-]1)c1ccc([N+](=O)[O-])cn1 ZINC000610773128 344153709 /nfs/dbraw/zinc/15/37/09/344153709.db2.gz YLVWTQNVPITXTM-UHFFFAOYSA-N 0 0 249.190 -0.567 20 5 BBBDRN O=[N+]([O-])c1ncccc1S(=O)(=O)NCCO ZINC000611018626 344230559 /nfs/dbraw/zinc/23/05/59/344230559.db2.gz VTSFVZJFJRCXTA-UHFFFAOYSA-N 0 0 247.232 -0.740 20 5 BBBDRN O=C(NCC1(CO)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000611212529 344277178 /nfs/dbraw/zinc/27/71/78/344277178.db2.gz DYCVMKRJOKQQLE-UHFFFAOYSA-N 0 0 240.219 -0.180 20 5 BBBDRN O=C(NC1(CO)CCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000611246099 344402418 /nfs/dbraw/zinc/40/24/18/344402418.db2.gz RCZNFMSGLHZLRT-UHFFFAOYSA-N 0 0 240.219 -0.037 20 5 BBBDRN Cn1nnnc1CCNc1ccncc1[N+](=O)[O-] ZINC000611306633 344470412 /nfs/dbraw/zinc/47/04/12/344470412.db2.gz OXXPQTSGNMKLJT-UHFFFAOYSA-N 0 0 249.234 -0.410 20 5 BBBDRN O=C(Cn1cnc([N+](=O)[O-])n1)N1CC=CCC1 ZINC000611517867 344748009 /nfs/dbraw/zinc/74/80/09/344748009.db2.gz QIWPLVSUCUTKDV-UHFFFAOYSA-N 0 0 237.219 -0.025 20 5 BBBDRN CN(C[C@H](O)CO)c1cccnc1[N+](=O)[O-] ZINC000611530798 344749384 /nfs/dbraw/zinc/74/93/84/344749384.db2.gz NVDWARRQQIVMOM-ZETCQYMHSA-N 0 0 227.220 -0.221 20 5 BBBDRN CN(C[C@H](O)CO)c1c([N+](=O)[O-])ncn1C ZINC000611530823 344747898 /nfs/dbraw/zinc/74/78/98/344747898.db2.gz ZVXNALMNJVTKGN-LURJTMIESA-N 0 0 230.224 -0.882 20 5 BBBDRN O=C1CN(c2ncc([N+](=O)[O-])cn2)CCN1 ZINC000612398640 344894076 /nfs/dbraw/zinc/89/40/76/344894076.db2.gz GAWOXFDGAWRJRQ-UHFFFAOYSA-N 0 0 223.192 -0.679 20 5 BBBDRN CCOCn1cc([N+](=O)[O-])cc(C(N)=O)c1=O ZINC000612616520 359930200 /nfs/dbraw/zinc/93/02/00/359930200.db2.gz KJXRGEWVNLUCAL-UHFFFAOYSA-N 0 0 241.203 -0.151 20 5 BBBDRN CCNC(=O)CN(C)c1ncc([N+](=O)[O-])cn1 ZINC000612778919 344924658 /nfs/dbraw/zinc/92/46/58/344924658.db2.gz BTEPWJHYNFAVMN-UHFFFAOYSA-N 0 0 239.235 -0.043 20 5 BBBDRN O=C1CCN(c2ncc([N+](=O)[O-])cn2)CCN1 ZINC000612781122 360063733 /nfs/dbraw/zinc/06/37/33/360063733.db2.gz LBQVQZAXXLKECT-UHFFFAOYSA-N 0 0 237.219 -0.289 20 5 BBBDRN O=[N+]([O-])c1cnc(N2C[C@H](O)C[C@H](O)C2)nc1 ZINC000612785763 344923699 /nfs/dbraw/zinc/92/36/99/344923699.db2.gz VGAGPPPOZDBQCJ-OCAPTIKFSA-N 0 0 240.219 -0.683 20 5 BBBDRN CN1CN(c2ncc([N+](=O)[O-])cn2)CC1=O ZINC000612793953 360061323 /nfs/dbraw/zinc/06/13/23/360061323.db2.gz AMEFRZKGKVKOGV-UHFFFAOYSA-N 0 0 223.192 -0.379 20 5 BBBDRN CN(CCO)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000618926630 357668602 /nfs/dbraw/zinc/66/86/02/357668602.db2.gz FHHBCBCFCBPKKF-UHFFFAOYSA-N 0 0 214.181 -0.618 20 5 BBBDRN O=C(NCC1(CO)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC000618937150 357845986 /nfs/dbraw/zinc/84/59/86/357845986.db2.gz OJSKLKYKKQSMND-UHFFFAOYSA-N 0 0 240.219 -0.180 20 5 BBBDRN C[C@@H](CO)CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000618937181 363262966 /nfs/dbraw/zinc/26/29/66/363262966.db2.gz QMTCWKQRMOYIMB-RXMQYKEDSA-N 0 0 228.208 -0.324 20 5 BBBDRN C[C@H](CO)CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000618937186 357846232 /nfs/dbraw/zinc/84/62/32/357846232.db2.gz QMTCWKQRMOYIMB-YFKPBYRVSA-N 0 0 228.208 -0.324 20 5 BBBDRN O=C(N[C@H]1CCOC1)c1c[nH]nc1[N+](=O)[O-] ZINC000618939873 357846510 /nfs/dbraw/zinc/84/65/10/357846510.db2.gz FKYFNOCGWRUNEX-YFKPBYRVSA-N 0 0 226.192 -0.163 20 5 BBBDRN 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CC(=O)N[C@@H](C)C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814040770 586612467 /nfs/dbraw/zinc/61/24/67/586612467.db2.gz KZLLCZDFDWVQTI-RITPCOANSA-N 0 0 218.209 -0.281 20 5 BBBDRN CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814040771 586612488 /nfs/dbraw/zinc/61/24/88/586612488.db2.gz KZLLCZDFDWVQTI-WDSKDSINSA-N 0 0 218.209 -0.281 20 5 BBBDRN C[C@H](C[N+](=O)[O-])OC(=O)c1cnnn1C ZINC000814041678 586612647 /nfs/dbraw/zinc/61/26/47/586612647.db2.gz RXIRWGNYULWYHD-RXMQYKEDSA-N 0 0 214.181 -0.363 20 5 BBBDRN C[C@@H](C[N+](=O)[O-])OC(=O)c1cnnn1C ZINC000814041679 586612540 /nfs/dbraw/zinc/61/25/40/586612540.db2.gz RXIRWGNYULWYHD-YFKPBYRVSA-N 0 0 214.181 -0.363 20 5 BBBDRN CC(=O)N(C)CC(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814041847 586612626 /nfs/dbraw/zinc/61/26/26/586612626.db2.gz DUSBVGBCDUDVJC-LURJTMIESA-N 0 0 218.209 -0.327 20 5 BBBDRN CC(=O)N(C)CC(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814041848 586612679 /nfs/dbraw/zinc/61/26/79/586612679.db2.gz DUSBVGBCDUDVJC-ZCFIWIBFSA-N 0 0 218.209 -0.327 20 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BBBDRN CNC(=O)NCCC(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814043038 586612509 /nfs/dbraw/zinc/61/25/09/586612509.db2.gz RZZXJCPFVQRIIT-LURJTMIESA-N 0 0 233.224 -0.486 20 5 BBBDRN CNC(=O)NCCC(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814043040 586612630 /nfs/dbraw/zinc/61/26/30/586612630.db2.gz RZZXJCPFVQRIIT-ZCFIWIBFSA-N 0 0 233.224 -0.486 20 5 BBBDRN CCN1CCOC[C@H]1C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814044391 586612834 /nfs/dbraw/zinc/61/28/34/586612834.db2.gz PIHFUQVNBIFCLL-BDAKNGLRSA-N 0 0 246.263 -0.085 20 5 BBBDRN CCN1CCOC[C@@H]1C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814044394 586612736 /nfs/dbraw/zinc/61/27/36/586612736.db2.gz PIHFUQVNBIFCLL-DTWKUNHWSA-N 0 0 246.263 -0.085 20 5 BBBDRN CCN1CCOC[C@H]1C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814044396 586612718 /nfs/dbraw/zinc/61/27/18/586612718.db2.gz PIHFUQVNBIFCLL-IUCAKERBSA-N 0 0 246.263 -0.085 20 5 BBBDRN CCN1CCOC[C@@H]1C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814044397 586612867 /nfs/dbraw/zinc/61/28/67/586612867.db2.gz PIHFUQVNBIFCLL-RKDXNWHRSA-N 0 0 246.263 -0.085 20 5 BBBDRN C[C@H](C[N+](=O)[O-])OC(=O)c1cnn(C)n1 ZINC000814045379 586612493 /nfs/dbraw/zinc/61/24/93/586612493.db2.gz QTUHYRGRSCJEHM-RXMQYKEDSA-N 0 0 214.181 -0.363 20 5 BBBDRN C[C@@H](C[N+](=O)[O-])OC(=O)c1cnn(C)n1 ZINC000814045380 586612442 /nfs/dbraw/zinc/61/24/42/586612442.db2.gz QTUHYRGRSCJEHM-YFKPBYRVSA-N 0 0 214.181 -0.363 20 5 BBBDRN C[C@@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCC(=O)N1C ZINC000814045513 586612768 /nfs/dbraw/zinc/61/27/68/586612768.db2.gz UILOKUWKJYEVTN-BQBZGAKWSA-N 0 0 230.220 -0.184 20 5 BBBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCC(=O)N1C ZINC000814045514 586612868 /nfs/dbraw/zinc/61/28/68/586612868.db2.gz UILOKUWKJYEVTN-RQJHMYQMSA-N 0 0 230.220 -0.184 20 5 BBBDRN C[C@H](C[N+](=O)[O-])OC(=O)CCn1ccnn1 ZINC000814045537 586612747 /nfs/dbraw/zinc/61/27/47/586612747.db2.gz UPHYQDBJEONYTM-SSDOTTSWSA-N 0 0 228.208 -0.123 20 5 BBBDRN C[C@@H](C[N+](=O)[O-])OC(=O)CCn1ccnn1 ZINC000814045538 586612797 /nfs/dbraw/zinc/61/27/97/586612797.db2.gz UPHYQDBJEONYTM-ZETCQYMHSA-N 0 0 228.208 -0.123 20 5 BBBDRN C[C@@H](C[N+](=O)[O-])OC(=O)[C@H]1CCNC(=O)C1 ZINC000814045711 586612975 /nfs/dbraw/zinc/61/29/75/586612975.db2.gz XXSWLUSCQHUVDK-BQBZGAKWSA-N 0 0 230.220 -0.279 20 5 BBBDRN C[C@@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCNC(=O)C1 ZINC000814045712 586613027 /nfs/dbraw/zinc/61/30/27/586613027.db2.gz XXSWLUSCQHUVDK-NKWVEPMBSA-N 0 0 230.220 -0.279 20 5 BBBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCNC(=O)C1 ZINC000814045713 586612957 /nfs/dbraw/zinc/61/29/57/586612957.db2.gz XXSWLUSCQHUVDK-RNFRBKRXSA-N 0 0 230.220 -0.279 20 5 BBBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@H]1CCNC(=O)C1 ZINC000814045714 586612900 /nfs/dbraw/zinc/61/29/00/586612900.db2.gz XXSWLUSCQHUVDK-RQJHMYQMSA-N 0 0 230.220 -0.279 20 5 BBBDRN Cc1c(C(=O)O[C@H](C)C[N+](=O)[O-])nnn1C ZINC000814047086 586612740 /nfs/dbraw/zinc/61/27/40/586612740.db2.gz KXJZBJPRFNTDHB-RXMQYKEDSA-N 0 0 228.208 -0.054 20 5 BBBDRN Cc1c(C(=O)O[C@@H](C)C[N+](=O)[O-])nnn1C ZINC000814047090 586612739 /nfs/dbraw/zinc/61/27/39/586612739.db2.gz KXJZBJPRFNTDHB-YFKPBYRVSA-N 0 0 228.208 -0.054 20 5 BBBDRN CC(=O)N1CC(C(=O)O[C@@H](C)C[N+](=O)[O-])C1 ZINC000814050410 586613242 /nfs/dbraw/zinc/61/32/42/586613242.db2.gz XBEQAJZIVKKSEV-LURJTMIESA-N 0 0 230.220 -0.327 20 5 BBBDRN CC(=O)N1CC(C(=O)O[C@H](C)C[N+](=O)[O-])C1 ZINC000814050411 586613194 /nfs/dbraw/zinc/61/31/94/586613194.db2.gz XBEQAJZIVKKSEV-ZCFIWIBFSA-N 0 0 230.220 -0.327 20 5 BBBDRN Cn1c(C(=O)O[C@H]2CNOC2)ccc1[N+](=O)[O-] ZINC000816571654 644963681 /nfs/dbraw/zinc/96/36/81/644963681.db2.gz LMIYWTYIHNWEBD-LURJTMIESA-N 0 0 241.203 -0.007 20 5 BBBDRN O=C(O[C@H]1CNOC1)c1n[nH]cc1[N+](=O)[O-] ZINC000816571701 644963762 /nfs/dbraw/zinc/96/37/62/644963762.db2.gz NGLUADNXCTYUQQ-BYPYZUCNSA-N 0 0 228.164 -0.622 20 5 BBBDRN CON(C)C(=O)CNc1ccncc1[N+](=O)[O-] ZINC000817125413 586783078 /nfs/dbraw/zinc/78/30/78/586783078.db2.gz RDWBHZKEEOQLPW-UHFFFAOYSA-N 0 0 240.219 -0.157 20 5 BBBDRN C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(=O)[O-] ZINC000818053101 586867036 /nfs/dbraw/zinc/86/70/36/586867036.db2.gz ODCFSKUMGSHKLF-LURJTMIESA-N 0 0 228.208 -0.146 20 5 BBBDRN C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(=O)[O-] ZINC000818053102 586867197 /nfs/dbraw/zinc/86/71/97/586867197.db2.gz ODCFSKUMGSHKLF-ZCFIWIBFSA-N 0 0 228.208 -0.146 20 5 BBBDRN C[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)[O-] ZINC000818473481 586893243 /nfs/dbraw/zinc/89/32/43/586893243.db2.gz MQRGBHULJLOXCE-UHFFFAOYSA-N 0 0 228.208 -0.192 20 5 BBBDRN CCC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000819672375 586984995 /nfs/dbraw/zinc/98/49/95/586984995.db2.gz JJYRFKGLDURZJD-HTQZYQBOSA-N 0 0 241.247 -0.310 20 5 BBBDRN O=C(N[C@@H]1CC[C@H]1O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000819685575 586985966 /nfs/dbraw/zinc/98/59/66/586985966.db2.gz KTFVPBIUTOGBJE-DBRKOABJSA-N 0 0 200.194 -0.709 20 5 BBBDRN O=C(N[C@@H]1CCOC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000819740713 645014747 /nfs/dbraw/zinc/01/47/47/645014747.db2.gz DSQBIDLDPKQWDT-FSDSQADBSA-N 0 0 200.194 -0.443 20 5 BBBDRN 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O=C(NC[C@@H]1CCCO1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839459618 585104886 /nfs/dbraw/zinc/10/48/86/585104886.db2.gz SCEUPBXKGLAMEM-XLPZGREQSA-N 0 0 214.221 -0.053 20 5 BBBDRN COC[C@@H](C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839460357 585103475 /nfs/dbraw/zinc/10/34/75/585103475.db2.gz IBOJSBZWAGGGLI-FSDSQADBSA-N 0 0 202.210 -0.197 20 5 BBBDRN COC[C@H](C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839460358 585103593 /nfs/dbraw/zinc/10/35/93/585103593.db2.gz IBOJSBZWAGGGLI-RRKCRQDMSA-N 0 0 202.210 -0.197 20 5 BBBDRN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCO1 ZINC000839479760 585105188 /nfs/dbraw/zinc/10/51/88/585105188.db2.gz LMVHSLWPVSUEBC-BWZBUEFSSA-N 0 0 214.221 -0.101 20 5 BBBDRN C[C@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCO1 ZINC000839479762 585105100 /nfs/dbraw/zinc/10/51/00/585105100.db2.gz LMVHSLWPVSUEBC-XLPZGREQSA-N 0 0 214.221 -0.101 20 5 BBBDRN NC(=O)[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839482122 585105125 /nfs/dbraw/zinc/10/51/25/585105125.db2.gz 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585329290 /nfs/dbraw/zinc/32/92/90/585329290.db2.gz SFPCZIJYYJZEQS-BWZBUEFSSA-N 0 0 244.247 -0.081 20 5 BBBDRN COC(=O)[C@@H](C)CN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839534179 585329444 /nfs/dbraw/zinc/32/94/44/585329444.db2.gz SFPCZIJYYJZEQS-XLPZGREQSA-N 0 0 244.247 -0.081 20 5 BBBDRN CCOC(=O)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839548604 585330293 /nfs/dbraw/zinc/33/02/93/585330293.db2.gz QEKKRVKIJVHIKA-PHDIDXHHSA-N 0 0 216.193 -0.669 20 5 BBBDRN COC(=O)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839550299 585330432 /nfs/dbraw/zinc/33/04/32/585330432.db2.gz IIACUJSFUVIKIU-BWZBUEFSSA-N 0 0 242.231 -0.327 20 5 BBBDRN COC(=O)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839550301 585330388 /nfs/dbraw/zinc/33/03/88/585330388.db2.gz IIACUJSFUVIKIU-XLPZGREQSA-N 0 0 242.231 -0.327 20 5 BBBDRN CCCN(CC(=O)NC)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839559137 585331152 /nfs/dbraw/zinc/33/11/52/585331152.db2.gz GVJMYDMNFIQELU-HTQZYQBOSA-N 0 0 243.263 -0.364 20 5 BBBDRN CCOC(=O)[C@@H](C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839566013 585330162 /nfs/dbraw/zinc/33/01/62/585330162.db2.gz BGGCMKHJZOHOBF-FSDSQADBSA-N 0 0 230.220 -0.281 20 5 BBBDRN CCOC(=O)[C@H](C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839566047 585330758 /nfs/dbraw/zinc/33/07/58/585330758.db2.gz BGGCMKHJZOHOBF-RRKCRQDMSA-N 0 0 230.220 -0.281 20 5 BBBDRN CCOC(=O)CN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839592750 585331372 /nfs/dbraw/zinc/33/13/72/585331372.db2.gz AUPDKEWSWVRBDR-RNFRBKRXSA-N 0 0 230.220 -0.327 20 5 BBBDRN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN(C2CC2)CC1 ZINC000839595968 585331698 /nfs/dbraw/zinc/33/16/98/585331698.db2.gz PSCBVXQHHDPQGJ-NXEZZACHSA-N 0 0 239.275 -0.042 20 5 BBBDRN O=C(CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])OCC1CC1 ZINC000839626102 585332816 /nfs/dbraw/zinc/33/28/16/585332816.db2.gz PGCQCGHLHGGFGN-HTQZYQBOSA-N 0 0 242.231 -0.279 20 5 BBBDRN CC(C)OC(=O)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839654037 585333426 /nfs/dbraw/zinc/33/34/26/585333426.db2.gz BDQXPQLSHAKXED-RNFRBKRXSA-N 0 0 230.220 -0.281 20 5 BBBDRN O=C(N[C@@H]1CCCOC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839664013 585334431 /nfs/dbraw/zinc/33/44/31/585334431.db2.gz WTDUFBQLPSGHEI-BWZBUEFSSA-N 0 0 214.221 -0.053 20 5 BBBDRN O=C(N[C@H]1CCCOC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839664016 585334540 /nfs/dbraw/zinc/33/45/40/585334540.db2.gz WTDUFBQLPSGHEI-XLPZGREQSA-N 0 0 214.221 -0.053 20 5 BBBDRN CC[C@@H]1C(=O)NCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839664401 585334463 /nfs/dbraw/zinc/33/44/63/585334463.db2.gz QNSAXOMRWVWMME-BWZBUEFSSA-N 0 0 241.247 -0.611 20 5 BBBDRN CC[C@H]1C(=O)NCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839664455 585334438 /nfs/dbraw/zinc/33/44/38/585334438.db2.gz QNSAXOMRWVWMME-GJMOJQLCSA-N 0 0 241.247 -0.611 20 5 BBBDRN O=C(NC1=CC=NCC1=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839671018 585336219 /nfs/dbraw/zinc/33/62/19/585336219.db2.gz XXIYGEGAHMVEMS-IYSWYEEDSA-N 0 0 223.188 -0.187 20 5 BBBDRN COC(=O)[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C ZINC000839674275 585336602 /nfs/dbraw/zinc/33/66/02/585336602.db2.gz MJAAJOZANAQBNT-BWZBUEFSSA-N 0 0 244.247 -0.035 20 5 BBBDRN COC(=O)[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C ZINC000839674277 585336871 /nfs/dbraw/zinc/33/68/71/585336871.db2.gz MJAAJOZANAQBNT-PRJMDXOYSA-N 0 0 244.247 -0.035 20 5 BBBDRN COC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839681154 585337237 /nfs/dbraw/zinc/33/72/37/585337237.db2.gz SXRYBUXYQXFVOH-RNFRBKRXSA-N 0 0 200.194 -0.491 20 5 BBBDRN CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1CCN(C)C1=O ZINC000839688142 585335174 /nfs/dbraw/zinc/33/51/74/585335174.db2.gz PBMMCDYDMXGOJT-BWZBUEFSSA-N 0 0 241.247 -0.659 20 5 BBBDRN CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1CCN(C)C1=O ZINC000839688143 585335341 /nfs/dbraw/zinc/33/53/41/585335341.db2.gz PBMMCDYDMXGOJT-GJMOJQLCSA-N 0 0 241.247 -0.659 20 5 BBBDRN COC[C@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCO1 ZINC000839689655 585335437 /nfs/dbraw/zinc/33/54/37/585335437.db2.gz DOTCWBFLKLUCJU-IWSPIJDZSA-N 0 0 244.247 -0.475 20 5 BBBDRN CC[C@](C)(O)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839690618 585335290 /nfs/dbraw/zinc/33/52/90/585335290.db2.gz DHZXJQWQINWZAB-BHNWBGBOSA-N 0 0 216.237 -0.071 20 5 BBBDRN CC[C@@](C)(O)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839690620 585335241 /nfs/dbraw/zinc/33/52/41/585335241.db2.gz DHZXJQWQINWZAB-ZXFLCMHBSA-N 0 0 216.237 -0.071 20 5 BBBDRN C[C@](O)(CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC000839691718 585335141 /nfs/dbraw/zinc/33/51/41/585335141.db2.gz LUDHJOPUKJMGLI-MRTMQBJTSA-N 0 0 228.248 -0.071 20 5 BBBDRN C[C@@](O)(CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC000839691720 585335353 /nfs/dbraw/zinc/33/53/53/585335353.db2.gz LUDHJOPUKJMGLI-NQMVMOMDSA-N 0 0 228.248 -0.071 20 5 BBBDRN CSC[C@@](C)(O)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839692781 585335449 /nfs/dbraw/zinc/33/54/49/585335449.db2.gz RHXPPTBZBJJTKQ-BHNWBGBOSA-N 0 0 248.304 -0.118 20 5 BBBDRN CSC[C@](C)(O)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839692796 585335553 /nfs/dbraw/zinc/33/55/53/585335553.db2.gz RHXPPTBZBJJTKQ-ZXFLCMHBSA-N 0 0 248.304 -0.118 20 5 BBBDRN C[C@H]1CC(=O)NCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839693658 585335721 /nfs/dbraw/zinc/33/57/21/585335721.db2.gz PRSLEHNJCQAOGA-XLPZGREQSA-N 0 0 241.247 -0.611 20 5 BBBDRN COCCOC[C@H](C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839693688 585335682 /nfs/dbraw/zinc/33/56/82/585335682.db2.gz QCKSXJVYDQYWKL-DJLDLDEBSA-N 0 0 246.263 -0.181 20 5 BBBDRN COCCOC[C@@H](C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839693690 585335481 /nfs/dbraw/zinc/33/54/81/585335481.db2.gz QCKSXJVYDQYWKL-IWSPIJDZSA-N 0 0 246.263 -0.181 20 5 BBBDRN C[C@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCN1C ZINC000839694168 585335569 /nfs/dbraw/zinc/33/55/69/585335569.db2.gz UDQYFDRURBMKDY-DJLDLDEBSA-N 0 0 227.264 -0.186 20 5 BBBDRN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCN1C ZINC000839694170 585335578 /nfs/dbraw/zinc/33/55/78/585335578.db2.gz UDQYFDRURBMKDY-IWSPIJDZSA-N 0 0 227.264 -0.186 20 5 BBBDRN COC(=O)[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC000839694633 585335715 /nfs/dbraw/zinc/33/57/15/585335715.db2.gz QWDNOLZPWCRWGD-BWZBUEFSSA-N 0 0 242.231 -0.281 20 5 BBBDRN COC(=O)[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC000839694636 585335693 /nfs/dbraw/zinc/33/56/93/585335693.db2.gz QWDNOLZPWCRWGD-PRJMDXOYSA-N 0 0 242.231 -0.281 20 5 BBBDRN O=C(NC[C@@H](O)C(F)(F)F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839697181 585335531 /nfs/dbraw/zinc/33/55/31/585335531.db2.gz SWPSNOVNMNFYFT-UOWFLXDJSA-N 0 0 242.153 -0.309 20 5 BBBDRN CO[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839697358 585335798 /nfs/dbraw/zinc/33/57/98/585335798.db2.gz FYIJXGNRIJYTOB-BWZBUEFSSA-N 0 0 214.221 -0.101 20 5 BBBDRN CO[C@H]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839697359 585335543 /nfs/dbraw/zinc/33/55/43/585335543.db2.gz FYIJXGNRIJYTOB-XLPZGREQSA-N 0 0 214.221 -0.101 20 5 BBBDRN CN1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1=O ZINC000839697785 585335503 /nfs/dbraw/zinc/33/55/03/585335503.db2.gz IJWUNEOSOHBULG-BWZBUEFSSA-N 0 0 241.247 -0.611 20 5 BBBDRN CN1CCC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1=O ZINC000839697786 585335623 /nfs/dbraw/zinc/33/56/23/585335623.db2.gz IJWUNEOSOHBULG-GJMOJQLCSA-N 0 0 241.247 -0.611 20 5 BBBDRN O=C(NC[C@H]1CCC[C@@H]1O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839697938 585335520 /nfs/dbraw/zinc/33/55/20/585335520.db2.gz KDCIPDZBZOZIOY-BGZDPUMWSA-N 0 0 228.248 -0.071 20 5 BBBDRN O=C(NC[C@@H]1CCC[C@H]1O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839697940 585335547 /nfs/dbraw/zinc/33/55/47/585335547.db2.gz KDCIPDZBZOZIOY-JQCXWYLXSA-N 0 0 228.248 -0.071 20 5 BBBDRN CCNC(=O)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839697961 585335705 /nfs/dbraw/zinc/33/57/05/585335705.db2.gz KRKJGTAQQHEVMV-HTQZYQBOSA-N 0 0 241.247 -0.754 20 5 BBBDRN C[C@@H](O)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839699795 585336070 /nfs/dbraw/zinc/33/60/70/585336070.db2.gz AVSYCFUESBCRQY-BWZBUEFSSA-N 0 0 216.237 -0.119 20 5 BBBDRN C[C@H](O)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839699796 585335986 /nfs/dbraw/zinc/33/59/86/585335986.db2.gz AVSYCFUESBCRQY-XLPZGREQSA-N 0 0 216.237 -0.119 20 5 BBBDRN COC(=O)C(C)(C)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839699898 585335843 /nfs/dbraw/zinc/33/58/43/585335843.db2.gz DHWSXHUPGYWIIC-RNFRBKRXSA-N 0 0 244.247 -0.033 20 5 BBBDRN CCOC(=O)[C@H](C)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839699963 585335993 /nfs/dbraw/zinc/33/59/93/585335993.db2.gz HRWPKEGTGPEBBG-BWZBUEFSSA-N 0 0 244.247 -0.033 20 5 BBBDRN CCOC(=O)[C@@H](C)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839699964 585335871 /nfs/dbraw/zinc/33/58/71/585335871.db2.gz HRWPKEGTGPEBBG-XLPZGREQSA-N 0 0 244.247 -0.033 20 5 BBBDRN CC[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)OC ZINC000839700901 585336056 /nfs/dbraw/zinc/33/60/56/585336056.db2.gz QGVOUHDGVBMFIQ-DSYKOEDSSA-N 0 0 230.220 -0.281 20 5 BBBDRN CC[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)OC ZINC000839700902 585335889 /nfs/dbraw/zinc/33/58/89/585335889.db2.gz QGVOUHDGVBMFIQ-FSDSQADBSA-N 0 0 230.220 -0.281 20 5 BBBDRN CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000839703544 585337579 /nfs/dbraw/zinc/33/75/79/585337579.db2.gz GUZSQQXEARSROY-BWZBUEFSSA-N 0 0 214.221 -0.101 20 5 BBBDRN CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1CCOC1 ZINC000839703545 585337592 /nfs/dbraw/zinc/33/75/92/585337592.db2.gz GUZSQQXEARSROY-XLPZGREQSA-N 0 0 214.221 -0.101 20 5 BBBDRN COC(=O)[C@@H](C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839703804 585337506 /nfs/dbraw/zinc/33/75/06/585337506.db2.gz KLXSRLVRHWTPME-HSUXUTPPSA-N 0 0 216.193 -0.671 20 5 BBBDRN CC1(C)OC[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])O1 ZINC000839704246 585337448 /nfs/dbraw/zinc/33/74/48/585337448.db2.gz UVXBMLDUXIRABE-BWZBUEFSSA-N 0 0 244.247 -0.081 20 5 BBBDRN CC1(C)OC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])O1 ZINC000839704253 585337557 /nfs/dbraw/zinc/33/75/57/585337557.db2.gz UVXBMLDUXIRABE-XLPZGREQSA-N 0 0 244.247 -0.081 20 5 BBBDRN O=C(NCCSCCCO)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839704313 585337514 /nfs/dbraw/zinc/33/75/14/585337514.db2.gz WGSHCBUZYVUHLO-HTQZYQBOSA-N 0 0 248.304 -0.117 20 5 BBBDRN C[C@@H](CO)[C@@H](C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839704634 585337360 /nfs/dbraw/zinc/33/73/60/585337360.db2.gz BWTJINCCVFQBMD-LXGUWJNJSA-N 0 0 216.237 -0.215 20 5 BBBDRN C[C@@H](CO)[C@H](C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839704635 585337438 /nfs/dbraw/zinc/33/74/38/585337438.db2.gz BWTJINCCVFQBMD-RULNZFCNSA-N 0 0 216.237 -0.215 20 5 BBBDRN C[C@H](CO)[C@H](C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839704636 585337381 /nfs/dbraw/zinc/33/73/81/585337381.db2.gz BWTJINCCVFQBMD-ULAWRXDQSA-N 0 0 216.237 -0.215 20 5 BBBDRN C[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H](C)CO ZINC000839704637 585337600 /nfs/dbraw/zinc/33/76/00/585337600.db2.gz BWTJINCCVFQBMD-WCTZXXKLSA-N 0 0 216.237 -0.215 20 5 BBBDRN CC[C@@H](O)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839705054 585337795 /nfs/dbraw/zinc/33/77/95/585337795.db2.gz BPPIHVKMBHCPLB-BWZBUEFSSA-N 0 0 216.237 -0.071 20 5 BBBDRN CC[C@H](O)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839705055 585337720 /nfs/dbraw/zinc/33/77/20/585337720.db2.gz BPPIHVKMBHCPLB-XLPZGREQSA-N 0 0 216.237 -0.071 20 5 BBBDRN CS[C@H](CO)[C@H](C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839706269 585337758 /nfs/dbraw/zinc/33/77/58/585337758.db2.gz MLWPOGRAQHUTNM-LXGUWJNJSA-N 0 0 248.304 -0.120 20 5 BBBDRN CS[C@@H](CO)[C@H](C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839706274 585337841 /nfs/dbraw/zinc/33/78/41/585337841.db2.gz MLWPOGRAQHUTNM-OSMVPFSASA-N 0 0 248.304 -0.120 20 5 BBBDRN CS[C@H](CO)[C@@H](C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839706277 585337688 /nfs/dbraw/zinc/33/76/88/585337688.db2.gz MLWPOGRAQHUTNM-WCTZXXKLSA-N 0 0 248.304 -0.120 20 5 BBBDRN CS[C@@H](CO)[C@@H](C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839706282 585337811 /nfs/dbraw/zinc/33/78/11/585337811.db2.gz MLWPOGRAQHUTNM-XUTVFYLZSA-N 0 0 248.304 -0.120 20 5 BBBDRN O=C(N[C@@H](CCO)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839706456 585337680 /nfs/dbraw/zinc/33/76/80/585337680.db2.gz WMDVXNLXGPHLHH-HRDYMLBCSA-N 0 0 228.248 -0.071 20 5 BBBDRN O=C(N[C@H](CCO)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839706457 585337704 /nfs/dbraw/zinc/33/77/04/585337704.db2.gz WMDVXNLXGPHLHH-IWSPIJDZSA-N 0 0 228.248 -0.071 20 5 BBBDRN CC(C)(CO)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839707180 585337827 /nfs/dbraw/zinc/33/78/27/585337827.db2.gz BNRXKJYCCULMNC-RNFRBKRXSA-N 0 0 216.237 -0.214 20 5 BBBDRN CC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])OCCO1 ZINC000839708401 585337647 /nfs/dbraw/zinc/33/76/47/585337647.db2.gz IYRPJKFGXPLBHL-RNFRBKRXSA-N 0 0 230.220 -0.469 20 5 BBBDRN CNC(=O)[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C ZINC000839708564 585337673 /nfs/dbraw/zinc/33/76/73/585337673.db2.gz KZCWDYVMMWVDCZ-PRJMDXOYSA-N 0 0 243.263 -0.462 20 5 BBBDRN CCC[C@@H](O)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839708673 585337622 /nfs/dbraw/zinc/33/76/22/585337622.db2.gz LTOJSBRLUHEMQF-BWZBUEFSSA-N 0 0 216.237 -0.071 20 5 BBBDRN CCC[C@H](O)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839708674 585337640 /nfs/dbraw/zinc/33/76/40/585337640.db2.gz LTOJSBRLUHEMQF-XLPZGREQSA-N 0 0 216.237 -0.071 20 5 BBBDRN CC(C)[C@H](O)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839709269 585337749 /nfs/dbraw/zinc/33/77/49/585337749.db2.gz RKONTSYTTJZICQ-BWZBUEFSSA-N 0 0 216.237 -0.215 20 5 BBBDRN CC(C)[C@@H](O)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839709271 585337709 /nfs/dbraw/zinc/33/77/09/585337709.db2.gz RKONTSYTTJZICQ-PRJMDXOYSA-N 0 0 216.237 -0.215 20 5 BBBDRN CC[C@H](CCO)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839710866 585338063 /nfs/dbraw/zinc/33/80/63/585338063.db2.gz XIOZTIRHTYPLFM-BWZBUEFSSA-N 0 0 216.237 -0.071 20 5 BBBDRN CC[C@@H](CCO)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839710867 585337958 /nfs/dbraw/zinc/33/79/58/585337958.db2.gz XIOZTIRHTYPLFM-XLPZGREQSA-N 0 0 216.237 -0.071 20 5 BBBDRN CC(C)CN(CC(N)=O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839713193 585338107 /nfs/dbraw/zinc/33/81/07/585338107.db2.gz PJYPUOCBOVTXIF-HTQZYQBOSA-N 0 0 243.263 -0.379 20 5 BBBDRN CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[C@@H]1O ZINC000839713879 585338127 /nfs/dbraw/zinc/33/81/27/585338127.db2.gz HNJXRYQKSHLDCG-BGZDPUMWSA-N 0 0 228.248 -0.119 20 5 BBBDRN CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[C@H]1O ZINC000839713882 585338116 /nfs/dbraw/zinc/33/81/16/585338116.db2.gz HNJXRYQKSHLDCG-FNCVBFRFSA-N 0 0 228.248 -0.119 20 5 BBBDRN CC[C@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[C@H]1O ZINC000839713884 585337941 /nfs/dbraw/zinc/33/79/41/585337941.db2.gz HNJXRYQKSHLDCG-JQCXWYLXSA-N 0 0 228.248 -0.119 20 5 BBBDRN CC[C@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[C@@H]1O ZINC000839713886 585338019 /nfs/dbraw/zinc/33/80/19/585338019.db2.gz HNJXRYQKSHLDCG-KDXUFGMBSA-N 0 0 228.248 -0.119 20 5 BBBDRN CN(C[C@H](O)C1CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839714254 585337973 /nfs/dbraw/zinc/33/79/73/585337973.db2.gz DIHQDCLTIMAQBA-HLTSFMKQSA-N 0 0 228.248 -0.119 20 5 BBBDRN CN(C[C@@H](O)C1CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839714255 585337996 /nfs/dbraw/zinc/33/79/96/585337996.db2.gz DIHQDCLTIMAQBA-IWSPIJDZSA-N 0 0 228.248 -0.119 20 5 BBBDRN C[C@]1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOC1 ZINC000839714715 585337901 /nfs/dbraw/zinc/33/79/01/585337901.db2.gz HLFYUZBFNFBAKP-BHNWBGBOSA-N 0 0 214.221 -0.053 20 5 BBBDRN C[C@@]1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOC1 ZINC000839714716 585338068 /nfs/dbraw/zinc/33/80/68/585338068.db2.gz HLFYUZBFNFBAKP-ZXFLCMHBSA-N 0 0 214.221 -0.053 20 5 BBBDRN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCO)C1CC1 ZINC000839714986 585338146 /nfs/dbraw/zinc/33/81/46/585338146.db2.gz LZAUQQKIVIAHMB-HTQZYQBOSA-N 0 0 214.221 -0.365 20 5 BBBDRN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCO)CC1CC1 ZINC000839715049 585337963 /nfs/dbraw/zinc/33/79/63/585337963.db2.gz NGJCLCTWMCUUPG-RKDXNWHRSA-N 0 0 228.248 -0.118 20 5 BBBDRN CSC[C@@H](CCO)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839715900 585338479 /nfs/dbraw/zinc/33/84/79/585338479.db2.gz WLCGRHNSFSGIED-BWZBUEFSSA-N 0 0 248.304 -0.118 20 5 BBBDRN CSC[C@H](CCO)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839715901 585338405 /nfs/dbraw/zinc/33/84/05/585338405.db2.gz WLCGRHNSFSGIED-XLPZGREQSA-N 0 0 248.304 -0.118 20 5 BBBDRN C[C@H](CO)N(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839715968 585338486 /nfs/dbraw/zinc/33/84/86/585338486.db2.gz JQRMUTUJQJKDJS-FSDSQADBSA-N 0 0 202.210 -0.509 20 5 BBBDRN C[C@@H](CO)N(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839715969 585338361 /nfs/dbraw/zinc/33/83/61/585338361.db2.gz JQRMUTUJQJKDJS-RRKCRQDMSA-N 0 0 202.210 -0.509 20 5 BBBDRN COC1(C)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839718907 585338260 /nfs/dbraw/zinc/33/82/60/585338260.db2.gz SWSOTQXSVCVKRS-RNFRBKRXSA-N 0 0 214.221 -0.101 20 5 BBBDRN C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839719070 585338252 /nfs/dbraw/zinc/33/82/52/585338252.db2.gz MZSKAVIJDCRSHB-FSDSQADBSA-N 0 0 202.210 -0.509 20 5 BBBDRN C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839719071 585338481 /nfs/dbraw/zinc/33/84/81/585338481.db2.gz MZSKAVIJDCRSHB-RRKCRQDMSA-N 0 0 202.210 -0.509 20 5 BBBDRN CCN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1=O ZINC000839724401 585338565 /nfs/dbraw/zinc/33/85/65/585338565.db2.gz CMDURGUNLKKPLK-HTQZYQBOSA-N 0 0 241.247 -0.658 20 5 BBBDRN CC(C)[C@@H](CO)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839724807 585338729 /nfs/dbraw/zinc/33/87/29/585338729.db2.gz NVEBTRHPTPWUPK-BWZBUEFSSA-N 0 0 216.237 -0.215 20 5 BBBDRN O=C(N[C@H](CO)CC1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839724976 585338687 /nfs/dbraw/zinc/33/86/87/585338687.db2.gz POVOSDYHRVHUHR-DJLDLDEBSA-N 0 0 228.248 -0.071 20 5 BBBDRN O=C(N[C@@H](CO)CC1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839724980 585338674 /nfs/dbraw/zinc/33/86/74/585338674.db2.gz POVOSDYHRVHUHR-IWSPIJDZSA-N 0 0 228.248 -0.071 20 5 BBBDRN O=C(NCC1(CO)CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839725426 585338811 /nfs/dbraw/zinc/33/88/11/585338811.db2.gz IWUHLMGXYYBQDZ-HTQZYQBOSA-N 0 0 228.248 -0.070 20 5 BBBDRN CC1(C)OCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CO1 ZINC000839726847 585338567 /nfs/dbraw/zinc/33/85/67/585338567.db2.gz SZDGZHDNUUIQMM-HTQZYQBOSA-N 0 0 244.247 -0.081 20 5 BBBDRN CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC(O)C1 ZINC000839726857 585338799 /nfs/dbraw/zinc/33/87/99/585338799.db2.gz SZOROCNXWWBXPJ-DWYQZRHDSA-N 0 0 214.221 -0.367 20 5 BBBDRN O=C(NCC(F)(F)CO)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839727638 585338882 /nfs/dbraw/zinc/33/88/82/585338882.db2.gz FLJOKDPMRUUHAV-RFZPGFLSSA-N 0 0 224.163 -0.605 20 5 BBBDRN COC(=O)C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000839728503 585338922 /nfs/dbraw/zinc/33/89/22/585338922.db2.gz KVMBVHMHYDYSAX-RNFRBKRXSA-N 0 0 242.231 -0.279 20 5 BBBDRN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[C@@H]1CO ZINC000839728534 585338834 /nfs/dbraw/zinc/33/88/34/585338834.db2.gz LFURTCUZBIALDB-BWZBUEFSSA-N 0 0 214.221 -0.365 20 5 BBBDRN CC(C)(O)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839728771 585338845 /nfs/dbraw/zinc/33/88/45/585338845.db2.gz OGYUIBAMFMGWIO-RNFRBKRXSA-N 0 0 216.237 -0.071 20 5 BBBDRN CC(C)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839729189 644630497 /nfs/dbraw/zinc/63/04/97/644630497.db2.gz ADNVYKJDQDVNGV-RKDXNWHRSA-N 0 0 227.264 -0.140 20 5 BBBDRN C[C@@H]1C(=O)N(C)CCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839730665 644631339 /nfs/dbraw/zinc/63/13/39/644631339.db2.gz IYZBYRYVHWSEFE-BWZBUEFSSA-N 0 0 241.247 -0.659 20 5 BBBDRN C[C@H]1C(=O)N(C)CCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839730666 644631017 /nfs/dbraw/zinc/63/10/17/644631017.db2.gz IYZBYRYVHWSEFE-XLPZGREQSA-N 0 0 241.247 -0.659 20 5 BBBDRN CC(C)C1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839731889 644631326 /nfs/dbraw/zinc/63/13/26/644631326.db2.gz BAXRJYVEFPZWLQ-HTQZYQBOSA-N 0 0 228.248 -0.119 20 5 BBBDRN C[C@@H]1CN(C)C(=O)CN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839732100 644631179 /nfs/dbraw/zinc/63/11/79/644631179.db2.gz CMBIGVWYZOPWDX-BWZBUEFSSA-N 0 0 241.247 -0.659 20 5 BBBDRN C[C@H]1CN(C)C(=O)CN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839732104 644630998 /nfs/dbraw/zinc/63/09/98/644630998.db2.gz CMBIGVWYZOPWDX-XLPZGREQSA-N 0 0 241.247 -0.659 20 5 BBBDRN C[C@H](CO)N(C[C@H](C)O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839732639 585337196 /nfs/dbraw/zinc/33/71/96/585337196.db2.gz GJDZRPBIWSLZPN-BZNPZCIMSA-N 0 0 246.263 -0.758 20 5 BBBDRN C[C@@H](O)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H](C)CO ZINC000839732641 585337211 /nfs/dbraw/zinc/33/72/11/585337211.db2.gz GJDZRPBIWSLZPN-FNCVBFRFSA-N 0 0 246.263 -0.758 20 5 BBBDRN C[C@@H](O)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H](C)CO ZINC000839732644 585337043 /nfs/dbraw/zinc/33/70/43/585337043.db2.gz GJDZRPBIWSLZPN-JQCXWYLXSA-N 0 0 246.263 -0.758 20 5 BBBDRN C[C@H](O)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H](C)CO ZINC000839732646 585336985 /nfs/dbraw/zinc/33/69/85/585336985.db2.gz GJDZRPBIWSLZPN-RBXMUDONSA-N 0 0 246.263 -0.758 20 5 BBBDRN CCN1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1=O ZINC000839732783 585337161 /nfs/dbraw/zinc/33/71/61/585337161.db2.gz DIBZEXZGGNCJCE-RNFRBKRXSA-N 0 0 227.220 -0.700 20 5 BBBDRN CC1(C)[C@@H](O)C[C@@H]1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839733120 585337305 /nfs/dbraw/zinc/33/73/05/585337305.db2.gz ZOUHBPKVKLYPQD-NGJRWZKOSA-N 0 0 228.248 -0.073 20 5 BBBDRN CC1(C)[C@H](O)C[C@@H]1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839733122 585337278 /nfs/dbraw/zinc/33/72/78/585337278.db2.gz ZOUHBPKVKLYPQD-OOJXKGFFSA-N 0 0 228.248 -0.073 20 5 BBBDRN CC1(C)[C@H](O)C[C@H]1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839733123 585337037 /nfs/dbraw/zinc/33/70/37/585337037.db2.gz ZOUHBPKVKLYPQD-WCTZXXKLSA-N 0 0 228.248 -0.073 20 5 BBBDRN CC1(C)[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[C@@H]1O ZINC000839733125 585337064 /nfs/dbraw/zinc/33/70/64/585337064.db2.gz ZOUHBPKVKLYPQD-XUTVFYLZSA-N 0 0 228.248 -0.073 20 5 BBBDRN CO[C@H](C)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839733490 585337511 /nfs/dbraw/zinc/33/75/11/585337511.db2.gz JXMJSUVKMUJVLV-FSDSQADBSA-N 0 0 202.210 -0.197 20 5 BBBDRN CO[C@@H](C)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839733492 585337460 /nfs/dbraw/zinc/33/74/60/585337460.db2.gz JXMJSUVKMUJVLV-RRKCRQDMSA-N 0 0 202.210 -0.197 20 5 BBBDRN COCCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839734050 585337504 /nfs/dbraw/zinc/33/75/04/585337504.db2.gz QCCGLOUHBKFTML-RKDXNWHRSA-N 0 0 246.263 -0.491 20 5 BBBDRN C[C@H]1C(=O)NCCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839734083 585337328 /nfs/dbraw/zinc/33/73/28/585337328.db2.gz OIEHKNUMDLUIGK-XLPZGREQSA-N 0 0 241.247 -0.611 20 5 BBBDRN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[C@@H](CO)O1 ZINC000839734360 585337535 /nfs/dbraw/zinc/33/75/35/585337535.db2.gz ULSQICHKXQQMLJ-BZNPZCIMSA-N 0 0 244.247 -0.740 20 5 BBBDRN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[C@H](CO)O1 ZINC000839734367 585337374 /nfs/dbraw/zinc/33/73/74/585337374.db2.gz ULSQICHKXQQMLJ-FNCVBFRFSA-N 0 0 244.247 -0.740 20 5 BBBDRN C[C@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[C@H](CO)O1 ZINC000839734369 585337346 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BBBDRN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCO)CC(F)F ZINC000839747352 585340073 /nfs/dbraw/zinc/34/00/73/585340073.db2.gz HUPOBUCJRSEQTF-PHDIDXHHSA-N 0 0 238.190 -0.262 20 5 BBBDRN COC(=O)[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839749909 585340469 /nfs/dbraw/zinc/34/04/69/585340469.db2.gz FVCZSXXOPNLEEC-FSDSQADBSA-N 0 0 230.220 -0.329 20 5 BBBDRN COC(=O)[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839749911 585340358 /nfs/dbraw/zinc/34/03/58/585340358.db2.gz FVCZSXXOPNLEEC-RRKCRQDMSA-N 0 0 230.220 -0.329 20 5 BBBDRN CC1(C)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[C@H]1O ZINC000839749934 585340320 /nfs/dbraw/zinc/34/03/20/585340320.db2.gz WQFOWZDGZHBXMN-BWZBUEFSSA-N 0 0 228.248 -0.119 20 5 BBBDRN CC1(C)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[C@@H]1O ZINC000839749935 585340447 /nfs/dbraw/zinc/34/04/47/585340447.db2.gz WQFOWZDGZHBXMN-PRJMDXOYSA-N 0 0 228.248 -0.119 20 5 BBBDRN CCN(CCOCCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839756683 585340608 /nfs/dbraw/zinc/34/06/08/585340608.db2.gz BRINUWWYCCZNFE-RKDXNWHRSA-N 0 0 246.263 -0.491 20 5 BBBDRN O=C(OCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC000839758169 585340711 /nfs/dbraw/zinc/34/07/11/585340711.db2.gz RHBWUYRYBKREJT-HTQZYQBOSA-N 0 0 242.231 -0.279 20 5 BBBDRN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC(=O)N1C ZINC000839758718 585340500 /nfs/dbraw/zinc/34/05/00/585340500.db2.gz XIWGKQWVHKYDDZ-BWZBUEFSSA-N 0 0 241.247 -0.659 20 5 BBBDRN C[C@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC(=O)N1C ZINC000839758719 585340708 /nfs/dbraw/zinc/34/07/08/585340708.db2.gz XIWGKQWVHKYDDZ-XLPZGREQSA-N 0 0 241.247 -0.659 20 5 BBBDRN CCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1=O ZINC000839759805 585340621 /nfs/dbraw/zinc/34/06/21/585340621.db2.gz BTUSKLVPNQHJMX-BWZBUEFSSA-N 0 0 241.247 -0.611 20 5 BBBDRN CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1=O ZINC000839759806 585340569 /nfs/dbraw/zinc/34/05/69/585340569.db2.gz BTUSKLVPNQHJMX-GJMOJQLCSA-N 0 0 241.247 -0.611 20 5 BBBDRN CCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839760937 644631370 /nfs/dbraw/zinc/63/13/70/644631370.db2.gz VMNIDXYSWGVDQX-RNFRBKRXSA-N 0 0 214.221 -0.365 20 5 BBBDRN CC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839761955 585339120 /nfs/dbraw/zinc/33/91/20/585339120.db2.gz RJRGOTFPBWJKOK-PHDIDXHHSA-N 0 0 200.194 -0.755 20 5 BBBDRN CN(C)c1n[nH]c(NC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000839762250 585339084 /nfs/dbraw/zinc/33/90/84/585339084.db2.gz BSEYCLHYRKDVGB-RFZPGFLSSA-N 0 0 240.223 -0.526 20 5 BBBDRN COCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000839764277 585339148 /nfs/dbraw/zinc/33/91/48/585339148.db2.gz ZQGLVXVIHOYNIA-RNFRBKRXSA-N 0 0 214.221 -0.053 20 5 BBBDRN COCCOCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839772284 585340861 /nfs/dbraw/zinc/34/08/61/585340861.db2.gz BDXQOWAPHPEIFM-RKDXNWHRSA-N 0 0 246.263 -0.227 20 5 BBBDRN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCO[C@@H]2C[C@@H]21 ZINC000839776701 585341176 /nfs/dbraw/zinc/34/11/76/585341176.db2.gz NHPFPKIBYCUMDF-OOJXKGFFSA-N 0 0 212.205 -0.349 20 5 BBBDRN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCO[C@H]2C[C@H]21 ZINC000839776705 585341256 /nfs/dbraw/zinc/34/12/56/585341256.db2.gz NHPFPKIBYCUMDF-XUTVFYLZSA-N 0 0 212.205 -0.349 20 5 BBBDRN COCC[C@@H](COC)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839777182 585341482 /nfs/dbraw/zinc/34/14/82/585341482.db2.gz OZGHTQAXTDAREQ-DJLDLDEBSA-N 0 0 246.263 -0.181 20 5 BBBDRN COCC[C@H](COC)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839777185 585341406 /nfs/dbraw/zinc/34/14/06/585341406.db2.gz OZGHTQAXTDAREQ-IWSPIJDZSA-N 0 0 246.263 -0.181 20 5 BBBDRN CCOC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839777325 585341444 /nfs/dbraw/zinc/34/14/44/585341444.db2.gz AUPUBAMFQAXMGA-HTQZYQBOSA-N 0 0 214.221 -0.101 20 5 BBBDRN COC[C@H]1CCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839777708 585341516 /nfs/dbraw/zinc/34/15/16/585341516.db2.gz LLVZIGRDEJWUJA-BWZBUEFSSA-N 0 0 214.221 -0.101 20 5 BBBDRN COC[C@@H]1CCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839777709 585341386 /nfs/dbraw/zinc/34/13/86/585341386.db2.gz LLVZIGRDEJWUJA-XLPZGREQSA-N 0 0 214.221 -0.101 20 5 BBBDRN CCCN(CC(N)=O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839779874 585341771 /nfs/dbraw/zinc/34/17/71/585341771.db2.gz UUKUISQLUZNGAC-RNFRBKRXSA-N 0 0 229.236 -0.625 20 5 BBBDRN C[NH+](C)CCO[N-]C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839781370 585341663 /nfs/dbraw/zinc/34/16/63/585341663.db2.gz NMLCIURLSSEZOT-RNFRBKRXSA-N 0 0 217.225 -0.739 20 5 BBBDRN CC[C@H](CO)N(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839781489 585341722 /nfs/dbraw/zinc/34/17/22/585341722.db2.gz QQZFOICMOPQBHO-BWZBUEFSSA-N 0 0 216.237 -0.119 20 5 BBBDRN CC[C@@H](CO)N(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839781490 585341820 /nfs/dbraw/zinc/34/18/20/585341820.db2.gz QQZFOICMOPQBHO-XLPZGREQSA-N 0 0 216.237 -0.119 20 5 BBBDRN CCN1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1=O ZINC000839781878 585341602 /nfs/dbraw/zinc/34/16/02/585341602.db2.gz AXZNOZHPHVHWRG-BWZBUEFSSA-N 0 0 241.247 -0.611 20 5 BBBDRN CCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1=O ZINC000839781881 585341661 /nfs/dbraw/zinc/34/16/61/585341661.db2.gz AXZNOZHPHVHWRG-XLPZGREQSA-N 0 0 241.247 -0.611 20 5 BBBDRN CC[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H](C)O ZINC000839782552 585341729 /nfs/dbraw/zinc/34/17/29/585341729.db2.gz MEXAHIOYMCLLTG-FKSUSPILSA-N 0 0 216.237 -0.073 20 5 BBBDRN CC[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H](C)O ZINC000839782554 585341827 /nfs/dbraw/zinc/34/18/27/585341827.db2.gz MEXAHIOYMCLLTG-LXGUWJNJSA-N 0 0 216.237 -0.073 20 5 BBBDRN CC[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H](C)O ZINC000839782556 585341746 /nfs/dbraw/zinc/34/17/46/585341746.db2.gz MEXAHIOYMCLLTG-OOJXKGFFSA-N 0 0 216.237 -0.073 20 5 BBBDRN CC[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H](C)O ZINC000839782557 585341614 /nfs/dbraw/zinc/34/16/14/585341614.db2.gz MEXAHIOYMCLLTG-WCTZXXKLSA-N 0 0 216.237 -0.073 20 5 BBBDRN COCC(COC)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839783027 585341667 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CO[C@@H]1COC[C@@H]1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839798892 585495449 /nfs/dbraw/zinc/49/54/49/585495449.db2.gz YAOLUCKENBCAFI-ULAWRXDQSA-N 0 0 230.220 -0.818 20 5 BBBDRN COC(=O)[C@@H](F)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839799935 585532212 /nfs/dbraw/zinc/53/22/12/585532212.db2.gz SEGGXKOUAIQAAG-NGJCXOISSA-N 0 0 234.183 -0.721 20 5 BBBDRN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCO[C@H](CF)C1 ZINC000839802178 585629400 /nfs/dbraw/zinc/62/94/00/585629400.db2.gz KONMTKFHDYZPFI-BWZBUEFSSA-N 0 0 232.211 -0.152 20 5 BBBDRN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCO[C@@H](CF)C1 ZINC000839802179 585629588 /nfs/dbraw/zinc/62/95/88/585629588.db2.gz KONMTKFHDYZPFI-XLPZGREQSA-N 0 0 232.211 -0.152 20 5 BBBDRN CCC[C@H](O)[C@@H](CO)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839819451 586035831 /nfs/dbraw/zinc/03/58/31/586035831.db2.gz ZJCXWJXDVBTMHI-BGZDPUMWSA-N 0 0 246.263 -0.710 20 5 BBBDRN CCC[C@@H](O)[C@H](CO)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839819453 586035701 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CC(C)N(CC(N)=O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840241514 586568750 /nfs/dbraw/zinc/56/87/50/586568750.db2.gz UUUIBGZIVCNXIN-RNFRBKRXSA-N 0 0 229.236 -0.626 20 5 BBBDRN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(=O)CC1 ZINC000840253351 586576938 /nfs/dbraw/zinc/57/69/38/586576938.db2.gz LZOSKOAPQGDQFT-HTQZYQBOSA-N 0 0 212.205 -0.157 20 5 BBBDRN COC(=O)[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840256679 586578314 /nfs/dbraw/zinc/57/83/14/586578314.db2.gz UONIKMNCGCHSIY-BWZBUEFSSA-N 0 0 242.231 -0.184 20 5 BBBDRN COC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840256680 586578257 /nfs/dbraw/zinc/57/82/57/586578257.db2.gz UONIKMNCGCHSIY-GJMOJQLCSA-N 0 0 242.231 -0.184 20 5 BBBDRN CCC(CC)(NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(N)=O ZINC000840303812 586608970 /nfs/dbraw/zinc/60/89/70/586608970.db2.gz FMKJSWVBRFAFPM-RNFRBKRXSA-N 0 0 243.263 -0.188 20 5 BBBDRN COC(=O)[C@H](C)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840309134 586611247 /nfs/dbraw/zinc/61/12/47/586611247.db2.gz 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/nfs/dbraw/zinc/13/09/69/589130969.db2.gz NQHZVBFYBOJZPB-ZCFIWIBFSA-N 0 0 218.209 -0.279 20 5 BBBDRN CC(=O)N(C)CC(=O)OCCC[N+](=O)[O-] ZINC000860913450 589131210 /nfs/dbraw/zinc/13/12/10/589131210.db2.gz BHRYEDGTAWTMRE-UHFFFAOYSA-N 0 0 218.209 -0.325 20 5 BBBDRN COC(=O)N(C)CC(=O)OCCC[N+](=O)[O-] ZINC000860913859 589131378 /nfs/dbraw/zinc/13/13/78/589131378.db2.gz JYKJLLUYIZGZHP-UHFFFAOYSA-N 0 0 234.208 -0.105 20 5 BBBDRN Cc1c(C(=O)OCCC[N+](=O)[O-])nnn1C ZINC000860914895 589131305 /nfs/dbraw/zinc/13/13/05/589131305.db2.gz KDUNDXXJUMMNHY-UHFFFAOYSA-N 0 0 228.208 -0.053 20 5 BBBDRN CS(=O)(=O)CC(=O)OCCC[N+](=O)[O-] ZINC000860915040 589131604 /nfs/dbraw/zinc/13/16/04/589131604.db2.gz AOLIVHHJAGCONH-UHFFFAOYSA-N 0 0 225.222 -0.759 20 5 BBBDRN COC(=O)NCC(=O)OCCC[N+](=O)[O-] ZINC000860915964 589131597 /nfs/dbraw/zinc/13/15/97/589131597.db2.gz LFEGZLQBNMVKNY-UHFFFAOYSA-N 0 0 220.181 -0.448 20 5 BBBDRN NC(=O)c1cc(C(=O)OCCC[N+](=O)[O-])c[nH]1 ZINC000860916075 589131583 /nfs/dbraw/zinc/13/15/83/589131583.db2.gz OAACQCJXSLKOAQ-UHFFFAOYSA-N 0 0 241.203 -0.063 20 5 BBBDRN O=C(OCCC[N+](=O)[O-])[C@H]1COCCO1 ZINC000860916196 589131454 /nfs/dbraw/zinc/13/14/54/589131454.db2.gz PRZYWOZKUMSOMI-SSDOTTSWSA-N 0 0 219.193 -0.388 20 5 BBBDRN O=C(OCCC[N+](=O)[O-])[C@@H]1COCCO1 ZINC000860916197 589131467 /nfs/dbraw/zinc/13/14/67/589131467.db2.gz PRZYWOZKUMSOMI-ZETCQYMHSA-N 0 0 219.193 -0.388 20 5 BBBDRN COC(=O)NCCC(=O)OCCC[N+](=O)[O-] ZINC000860916502 589131606 /nfs/dbraw/zinc/13/16/06/589131606.db2.gz VWYIDZQMJLVTFJ-UHFFFAOYSA-N 0 0 234.208 -0.058 20 5 BBBDRN COC(=O)N[C@@H](C)C(=O)OCCC[N+](=O)[O-] ZINC000860916959 589131462 /nfs/dbraw/zinc/13/14/62/589131462.db2.gz CSBBQKQZANTPTF-LURJTMIESA-N 0 0 234.208 -0.059 20 5 BBBDRN O=C(OCCC[N+](=O)[O-])[C@@H]1CCNC(=O)C1 ZINC000860917200 589131491 /nfs/dbraw/zinc/13/14/91/589131491.db2.gz HMMPBCBCDRKMPR-SSDOTTSWSA-N 0 0 230.220 -0.277 20 5 BBBDRN O=C(OCCC[N+](=O)[O-])[C@H]1CCNC(=O)C1 ZINC000860917205 589131588 /nfs/dbraw/zinc/13/15/88/589131588.db2.gz HMMPBCBCDRKMPR-ZETCQYMHSA-N 0 0 230.220 -0.277 20 5 BBBDRN COCC(=O)N(C)CC(=O)OCCC[N+](=O)[O-] ZINC000860917345 589131929 /nfs/dbraw/zinc/13/19/29/589131929.db2.gz JVQDEFFBGYTNDV-UHFFFAOYSA-N 0 0 248.235 -0.699 20 5 BBBDRN CCN1CCOC[C@@H]1C(=O)OCCC[N+](=O)[O-] ZINC000860917365 589131830 /nfs/dbraw/zinc/13/18/30/589131830.db2.gz KHNQNRGPFQPOEI-SECBINFHSA-N 0 0 246.263 -0.083 20 5 BBBDRN CCN1CCOC[C@H]1C(=O)OCCC[N+](=O)[O-] ZINC000860917368 589131804 /nfs/dbraw/zinc/13/18/04/589131804.db2.gz KHNQNRGPFQPOEI-VIFPVBQESA-N 0 0 246.263 -0.083 20 5 BBBDRN O=C(CCc1nnc[nH]1)OCCC[N+](=O)[O-] ZINC000860917963 582553776 /nfs/dbraw/zinc/55/37/76/582553776.db2.gz ULDNJCKSEQKUPX-UHFFFAOYSA-N 0 0 228.208 -0.053 20 5 BBBDRN Cn1cc(C(=O)OCCC[N+](=O)[O-])nn1 ZINC000860918240 589131978 /nfs/dbraw/zinc/13/19/78/589131978.db2.gz CPJYXYXBMXXINN-UHFFFAOYSA-N 0 0 214.181 -0.361 20 5 BBBDRN CNC(=O)NCCC(=O)OCCC[N+](=O)[O-] ZINC000860918335 589131907 /nfs/dbraw/zinc/13/19/07/589131907.db2.gz HTKCFGBKRUEOQD-UHFFFAOYSA-N 0 0 233.224 -0.485 20 5 BBBDRN O=C(OCCC[N+](=O)[O-])[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000860918732 643356966 /nfs/dbraw/zinc/35/69/66/643356966.db2.gz DWNRVDTZXMVXJT-PHDIDXHHSA-N 0 0 218.165 -0.138 20 5 BBBDRN Cn1ncc(C(=O)OCCC[N+](=O)[O-])n1 ZINC000860919153 589132110 /nfs/dbraw/zinc/13/21/10/589132110.db2.gz UNTXWFXUSJGZNJ-UHFFFAOYSA-N 0 0 214.181 -0.361 20 5 BBBDRN CN1C(=O)CC[C@@H]1C(=O)OCCC[N+](=O)[O-] ZINC000860919155 589132348 /nfs/dbraw/zinc/13/23/48/589132348.db2.gz UOCUBRZEJHDRBN-SSDOTTSWSA-N 0 0 230.220 -0.183 20 5 BBBDRN CN1C(=O)CC[C@H]1C(=O)OCCC[N+](=O)[O-] ZINC000860919160 589132334 /nfs/dbraw/zinc/13/23/34/589132334.db2.gz UOCUBRZEJHDRBN-ZETCQYMHSA-N 0 0 230.220 -0.183 20 5 BBBDRN Cn1ncc(CCC(=O)OCCC[N+](=O)[O-])n1 ZINC000860919856 643357311 /nfs/dbraw/zinc/35/73/11/643357311.db2.gz XTYIPELSMXQLCC-UHFFFAOYSA-N 0 0 242.235 -0.042 20 5 BBBDRN CC(=O)NCC(=O)OCCC[N+](=O)[O-] ZINC000860920182 589132533 /nfs/dbraw/zinc/13/25/33/589132533.db2.gz UKDVUGBRULMZKS-UHFFFAOYSA-N 0 0 204.182 -0.668 20 5 BBBDRN O=C(CCn1ccnn1)OCCC[N+](=O)[O-] ZINC000860920420 643357735 /nfs/dbraw/zinc/35/77/35/643357735.db2.gz ABWZWGSSGMKTPT-UHFFFAOYSA-N 0 0 228.208 -0.122 20 5 BBBDRN O=C(CC1OCCO1)OCCC[N+](=O)[O-] ZINC000860920602 589131338 /nfs/dbraw/zinc/13/13/38/589131338.db2.gz DMMKVUCXEZFSJV-UHFFFAOYSA-N 0 0 219.193 -0.041 20 5 BBBDRN O=C(CN1CCOCC1)OCCC[N+](=O)[O-] ZINC000860920770 589132544 /nfs/dbraw/zinc/13/25/44/589132544.db2.gz HGGLYXJAOMXIMU-UHFFFAOYSA-N 0 0 232.236 -0.471 20 5 BBBDRN O=C(CN1CCOCC1=O)OCCC[N+](=O)[O-] ZINC000860920871 589132527 /nfs/dbraw/zinc/13/25/27/589132527.db2.gz JWBORGGGTNNLSM-UHFFFAOYSA-N 0 0 246.219 -0.945 20 5 BBBDRN CC(=O)N1CC(C(=O)OCCC[N+](=O)[O-])C1 ZINC000860920896 589132581 /nfs/dbraw/zinc/13/25/81/589132581.db2.gz JBIYSBFMYOHSEW-UHFFFAOYSA-N 0 0 230.220 -0.325 20 5 BBBDRN Cn1nncc1C(=O)OCCC[N+](=O)[O-] ZINC000860921501 589132656 /nfs/dbraw/zinc/13/26/56/589132656.db2.gz VJKSSANCVMKNPE-UHFFFAOYSA-N 0 0 214.181 -0.361 20 5 BBBDRN CN1CC[C@@H](C(=O)OCCC[N+](=O)[O-])C1=O ZINC000860921771 589132523 /nfs/dbraw/zinc/13/25/23/589132523.db2.gz XAEDHVOCXSTVKK-SSDOTTSWSA-N 0 0 230.220 -0.325 20 5 BBBDRN CN1CC[C@H](C(=O)OCCC[N+](=O)[O-])C1=O ZINC000860921772 589132857 /nfs/dbraw/zinc/13/28/57/589132857.db2.gz XAEDHVOCXSTVKK-ZETCQYMHSA-N 0 0 230.220 -0.325 20 5 BBBDRN O=C(OCCC[N+](=O)[O-])[C@@H]1COC(=O)N1 ZINC000860921969 589132786 /nfs/dbraw/zinc/13/27/86/589132786.db2.gz BUPBTXFQMCVGIW-YFKPBYRVSA-N 0 0 218.165 -0.695 20 5 BBBDRN COC[C@@H](OC)C(=O)OCCC[N+](=O)[O-] ZINC000860922288 589132916 /nfs/dbraw/zinc/13/29/16/589132916.db2.gz MDCOHGIBJWKQFD-SSDOTTSWSA-N 0 0 221.209 -0.142 20 5 BBBDRN COC[C@H](OC)C(=O)OCCC[N+](=O)[O-] ZINC000860922289 589132970 /nfs/dbraw/zinc/13/29/70/589132970.db2.gz MDCOHGIBJWKQFD-ZETCQYMHSA-N 0 0 221.209 -0.142 20 5 BBBDRN Cn1cc(CCC(=O)OCCC[N+](=O)[O-])nn1 ZINC000860922825 589132845 /nfs/dbraw/zinc/13/28/45/589132845.db2.gz YVUPJIVUQNYGOF-UHFFFAOYSA-N 0 0 242.235 -0.042 20 5 BBBDRN NC(=O)[C@@H]1CC[C@H](C(=O)OCCC[N+](=O)[O-])O1 ZINC000860922947 589132866 /nfs/dbraw/zinc/13/28/66/589132866.db2.gz JWSHMXIFCFXIPB-NKWVEPMBSA-N 0 0 246.219 -0.771 20 5 BBBDRN CC(C)[C@H](NC=O)C(=O)OCCC[N+](=O)[O-] ZINC000860923618 589132859 /nfs/dbraw/zinc/13/28/59/589132859.db2.gz ZHYSEWPGZICBRF-QMMMGPOBSA-N 0 0 232.236 -0.033 20 5 BBBDRN CC(=O)N1CC[C@@H](OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000860943232 589135893 /nfs/dbraw/zinc/13/58/93/589135893.db2.gz YIHGHBVTIKPZPQ-IWSPIJDZSA-N 0 0 242.231 -0.184 20 5 BBBDRN C[C@@]1(COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])COC(=O)N1 ZINC000861005899 589138854 /nfs/dbraw/zinc/13/88/54/589138854.db2.gz NRELQNGAGSAUDF-HCVRKRLWSA-N 0 0 244.203 -0.307 20 5 BBBDRN C[C@]1(COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])COC(=O)N1 ZINC000861005900 589138745 /nfs/dbraw/zinc/13/87/45/589138745.db2.gz NRELQNGAGSAUDF-KCRUCZTKSA-N 0 0 244.203 -0.307 20 5 BBBDRN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCc2[nH]cnc2C1 ZINC000861763540 589177313 /nfs/dbraw/zinc/17/73/13/589177313.db2.gz SWRCIECVXJTBKA-HZGVNTEJSA-N 0 0 236.231 -0.040 20 5 BBBDRN O=C(NC[C@@H]1COCO1)c1[nH]ncc1[N+](=O)[O-] ZINC000861975196 589187443 /nfs/dbraw/zinc/18/74/43/589187443.db2.gz XIESNHUPDATNFB-RXMQYKEDSA-N 0 0 242.191 -0.579 20 5 BBBDRN O=C(NC[C@H]1COCO1)c1[nH]ncc1[N+](=O)[O-] ZINC000861975197 589187441 /nfs/dbraw/zinc/18/74/41/589187441.db2.gz XIESNHUPDATNFB-YFKPBYRVSA-N 0 0 242.191 -0.579 20 5 BBBDRN O=C(NC[C@@H]1COCO1)c1cc([N+](=O)[O-])n[nH]1 ZINC000861976857 589187969 /nfs/dbraw/zinc/18/79/69/589187969.db2.gz LVRYNNGVWAAYTA-RXMQYKEDSA-N 0 0 242.191 -0.579 20 5 BBBDRN O=C(NC[C@H]1COCO1)c1cc([N+](=O)[O-])n[nH]1 ZINC000861976859 589187955 /nfs/dbraw/zinc/18/79/55/589187955.db2.gz LVRYNNGVWAAYTA-YFKPBYRVSA-N 0 0 242.191 -0.579 20 5 BBBDRN O=C(NC[C@@H]1COCO1)c1c[nH]nc1[N+](=O)[O-] ZINC000861978198 589188204 /nfs/dbraw/zinc/18/82/04/589188204.db2.gz MLODQZYRDVKLDK-RXMQYKEDSA-N 0 0 242.191 -0.579 20 5 BBBDRN O=C(NC[C@H]1COCO1)c1c[nH]nc1[N+](=O)[O-] ZINC000861978199 589188120 /nfs/dbraw/zinc/18/81/20/589188120.db2.gz MLODQZYRDVKLDK-YFKPBYRVSA-N 0 0 242.191 -0.579 20 5 BBBDRN O=C(NC[C@@H]1COCO1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000861981753 589189664 /nfs/dbraw/zinc/18/96/64/589189664.db2.gz TVBRYLNTIXXFCU-FSDSQADBSA-N 0 0 216.193 -0.859 20 5 BBBDRN O=C(NC[C@H]1COCO1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000861981754 589189414 /nfs/dbraw/zinc/18/94/14/589189414.db2.gz TVBRYLNTIXXFCU-RRKCRQDMSA-N 0 0 216.193 -0.859 20 5 BBBDRN CCn1nncc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000862365128 589204739 /nfs/dbraw/zinc/20/47/39/589204739.db2.gz XULUYSILARPYJT-HTQZYQBOSA-N 0 0 239.235 -0.421 20 5 BBBDRN CCn1ncc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC000862380403 589206392 /nfs/dbraw/zinc/20/63/92/589206392.db2.gz FSUVJCXZLLGFCQ-HTQZYQBOSA-N 0 0 239.235 -0.421 20 5 BBBDRN CC(C)(CCC(=O)N1C[C@H](O)[C@@H](O)C1)[N+](=O)[O-] ZINC000862583765 589226028 /nfs/dbraw/zinc/22/60/28/589226028.db2.gz NJBJUAREABYPPT-YUMQZZPRSA-N 0 0 246.263 -0.614 20 5 BBBDRN COC[C@@H]1CCCN1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000862588811 589226337 /nfs/dbraw/zinc/22/63/37/589226337.db2.gz ORZLGOPBTWKAHE-DJLDLDEBSA-N 0 0 243.263 -0.206 20 5 BBBDRN COC[C@H]1CCCN1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000862588812 589226528 /nfs/dbraw/zinc/22/65/28/589226528.db2.gz ORZLGOPBTWKAHE-IWSPIJDZSA-N 0 0 243.263 -0.206 20 5 BBBDRN O=C(NC[C@@H](O)[C@@H]1CCCO1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000862655074 589230621 /nfs/dbraw/zinc/23/06/21/589230621.db2.gz RCWRNYQPUMCAHK-BGZDPUMWSA-N 0 0 244.247 -0.692 20 5 BBBDRN O=C(NC[C@@H](O)[C@H]1CCCO1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000862655075 589230640 /nfs/dbraw/zinc/23/06/40/589230640.db2.gz RCWRNYQPUMCAHK-FNCVBFRFSA-N 0 0 244.247 -0.692 20 5 BBBDRN O=C(NC[C@H](O)[C@@H]1CCCO1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000862655076 589230395 /nfs/dbraw/zinc/23/03/95/589230395.db2.gz RCWRNYQPUMCAHK-HXFLIBJXSA-N 0 0 244.247 -0.692 20 5 BBBDRN O=C(NC[C@H](O)[C@H]1CCCO1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000862655077 589230172 /nfs/dbraw/zinc/23/01/72/589230172.db2.gz RCWRNYQPUMCAHK-LURQLKTLSA-N 0 0 244.247 -0.692 20 5 BBBDRN O=C(NN1CCOC1=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000862705350 589235359 /nfs/dbraw/zinc/23/53/59/589235359.db2.gz UHIYTJGVICUZJK-RFZPGFLSSA-N 0 0 215.165 -0.865 20 5 BBBDRN NC(=O)[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000862817616 589242706 /nfs/dbraw/zinc/24/27/06/589242706.db2.gz PRUSFJISWNUIDQ-DBRKOABJSA-N 0 0 227.220 -0.968 20 5 BBBDRN NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000862897423 589246114 /nfs/dbraw/zinc/24/61/14/589246114.db2.gz REGXFLBMMZCIGS-DSYKOEDSSA-N 0 0 227.220 -0.872 20 5 BBBDRN O=C(N[C@H]1COCCC1=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000862935230 589247268 /nfs/dbraw/zinc/24/72/68/589247268.db2.gz OFPGBWXBZOGUDW-DSYKOEDSSA-N 0 0 228.204 -0.874 20 5 BBBDRN O=C(N[C@@H]1COCCC1=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000862935231 589247360 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