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Cn1cncc([N+](=O)[O-])c1=O 36466278 169057715 /nfs/dbraw/zinc/05/77/15/169057715.db2.gz XQMZTMBPQCSMLI-UHFFFAOYSA-N 0 0 155.113 -0.312 10 5 ABBERN Cn1nc(N)c([N+](=O)[O-])n1 38803859 169060749 /nfs/dbraw/zinc/06/07/49/169060749.db2.gz HLBLFYHNNKOMEF-UHFFFAOYSA-N 0 0 143.106 -0.695 10 5 ABBERN Cn1nc(N)c([N+](=O)[O-])c1N 34518920 169061447 /nfs/dbraw/zinc/06/14/47/169061447.db2.gz OJRAXHSUWXRJLS-UHFFFAOYSA-N 0 0 157.133 -0.507 10 5 ABBERN Cn1nc([N+](=O)[O-])n(C)c1=O 5424392 169062849 /nfs/dbraw/zinc/06/28/49/169062849.db2.gz YDYRRPJGNFKBRW-UHFFFAOYSA-N 0 0 158.117 -0.973 10 5 ABBERN Cn1ncc(C(N)=O)c1[N+](=O)[O-] 1037722 169063712 /nfs/dbraw/zinc/06/37/12/169063712.db2.gz QCOUOHBUEBYTGV-UHFFFAOYSA-N 0 0 170.128 -0.573 10 5 ABBERN Cn1ncc([N+](=O)[O-])c(N)c1=O 84312532 169064401 /nfs/dbraw/zinc/06/44/01/169064401.db2.gz VXJAKOJWLORGDT-UHFFFAOYSA-N 0 0 170.128 -0.729 10 5 ABBERN Cn1ncc([N+](=O)[O-])c1CCO 75864494 169065101 /nfs/dbraw/zinc/06/51/01/169065101.db2.gz RZABKKHXDTWSDO-UHFFFAOYSA-N 0 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82391906 169191193 /nfs/dbraw/zinc/19/11/93/169191193.db2.gz TZFARUQOKVBLAW-UHFFFAOYSA-N 0 0 187.159 -0.606 10 5 ABBERN [NH3+]Cc1cc(=O)cc([N+](=O)[O-])[n-]1 95766673 169219691 /nfs/dbraw/zinc/21/96/91/169219691.db2.gz YRCCHXYVEBZDSS-UHFFFAOYSA-N 0 0 169.140 -0.258 10 5 ABBERN NCc1nc2n(n1)CCC[C@@H]2[N+](=O)[O-] 82754216 169230984 /nfs/dbraw/zinc/23/09/84/169230984.db2.gz PNGYLCPRGPTLES-YFKPBYRVSA-N 0 0 197.198 -0.152 10 5 ABBERN NCc1nc2n(n1)CCC[C@H]2[N+](=O)[O-] 96844248 169231384 /nfs/dbraw/zinc/23/13/84/169231384.db2.gz PNGYLCPRGPTLES-RXMQYKEDSA-N 0 0 197.198 -0.152 10 5 ABBERN NNc1n[nH]cc1[N+](=O)[O-] 45235543 169237433 /nfs/dbraw/zinc/23/74/33/169237433.db2.gz HWSJKTPEMJUTLH-UHFFFAOYSA-N 0 0 143.106 -0.397 10 5 ABBERN NNc1ccc(C(N)=O)cc1[N+](=O)[O-] 35330623 169237968 /nfs/dbraw/zinc/23/79/68/169237968.db2.gz ILWFADBDWPCUCQ-UHFFFAOYSA-N 0 0 196.166 -0.021 10 5 ABBERN NNc1ncc([N+](=O)[O-])cc1C(N)=O 37737506 169238450 /nfs/dbraw/zinc/23/84/50/169238450.db2.gz CGKMZKLIKAJLCD-UHFFFAOYSA-N 0 0 197.154 -0.626 10 5 ABBERN NNc1ccc([N+](=O)[O-])cc1C(N)=O 51121950 169239117 /nfs/dbraw/zinc/23/91/17/169239117.db2.gz KLRATKJSECIDBO-UHFFFAOYSA-N 0 0 196.166 -0.021 10 5 ABBERN [NH3+][C@@H](CCC[N+](=O)[O-])C(=O)[O-] 3650103 169244248 /nfs/dbraw/zinc/24/42/48/169244248.db2.gz XEPMGNVHTHVQNX-BYPYZUCNSA-N 0 0 162.145 -0.545 10 5 ABBERN [NH3+][C@@H](CC[N+](=O)[O-])C(=O)[O-] 3646038 169244390 /nfs/dbraw/zinc/24/43/90/169244390.db2.gz YCCLEMIPIFWUCM-VKHMYHEASA-N 0 0 148.118 -0.935 10 5 in-vitro ABBERN [NH3+][C@H](C(=O)[O-])[C@@H]1C[C@H]1[N+](=O)[O-] 39058145 169261801 /nfs/dbraw/zinc/26/18/01/169261801.db2.gz CVVCIUCJCDKSIY-JJYYJPOSSA-N 0 0 160.129 -0.937 10 5 ABBERN [NH3+][C@H](C(=O)[O-])[C@H]1C[C@H]1[N+](=O)[O-] 39058144 169261946 /nfs/dbraw/zinc/26/19/46/169261946.db2.gz CVVCIUCJCDKSIY-NUNKFHFFSA-N 0 0 160.129 -0.937 10 5 ABBERN [NH3+][C@H](C(=O)[O-])[C@@H]1C[C@@H]1[N+](=O)[O-] 39058147 169262063 /nfs/dbraw/zinc/26/20/63/169262063.db2.gz CVVCIUCJCDKSIY-UZBSEBFBSA-N 0 0 160.129 -0.937 10 5 ABBERN [NH3+][C@H](C(=O)[O-])[C@H]1C[C@@H]1[N+](=O)[O-] 39058146 169262260 /nfs/dbraw/zinc/26/22/60/169262260.db2.gz CVVCIUCJCDKSIY-HZLVTQRSSA-N 0 0 160.129 -0.937 10 5 ABBERN [NH3+][C@H](CC[N+](=O)[O-])C(=O)[O-] 96347088 169265087 /nfs/dbraw/zinc/26/50/87/169265087.db2.gz YCCLEMIPIFWUCM-GSVOUGTGSA-N 0 0 148.118 -0.935 10 5 ABBERN Nc1c([N+](=O)[O-])cnn1CCO 34405068 169282749 /nfs/dbraw/zinc/28/27/49/169282749.db2.gz PJNFNECAWOORKB-UHFFFAOYSA-N 0 0 172.144 -0.634 10 5 ABBERN Nc1c([N+](=O)[O-])n[nH]c1[N+](=O)[O-] 34582934 169282811 /nfs/dbraw/zinc/28/28/11/169282811.db2.gz ZDCGXVZZNAVVFJ-UHFFFAOYSA-N 0 0 173.088 -0.192 10 5 ABBERN Nc1c([N+](=O)[O-])ncc[n+]1[O-] 39059726 169283111 /nfs/dbraw/zinc/28/31/11/169283111.db2.gz FHSDZWFQEFXUFH-UHFFFAOYSA-N 0 0 156.101 -0.795 10 5 ABBERN Nc1cc(=O)c([N+](=O)[O-])c(N)[nH]1 196567929 169284121 /nfs/dbraw/zinc/28/41/21/169284121.db2.gz UIGBMJVPPJUUPZ-UHFFFAOYSA-N 0 0 170.128 -0.553 10 5 ABBERN Nc1cc([N+](=O)[O-])cnn1 39118508 169288344 /nfs/dbraw/zinc/28/83/44/169288344.db2.gz DDLOTJTTXCYFSF-UHFFFAOYSA-N 0 0 140.102 -0.033 10 5 ABBERN Nc1cnc([N+](=O)[O-])cn1 39118580 169301914 /nfs/dbraw/zinc/30/19/14/169301914.db2.gz IEYQCJINVCBCQG-UHFFFAOYSA-N 0 0 140.102 -0.033 10 5 ABBERN Nc1cnc([N+](=O)[O-])nc1 39052564 169302001 /nfs/dbraw/zinc/30/20/01/169302001.db2.gz LNZUVQSHOGIBFC-UHFFFAOYSA-N 0 0 140.102 -0.033 10 5 ABBERN Nc1cncc([N+](=O)[O-])[n+]1[O-] 39059724 169302573 /nfs/dbraw/zinc/30/25/73/169302573.db2.gz IXRTXIYQLWEDNE-UHFFFAOYSA-N 0 0 156.101 -0.795 10 5 ABBERN Nc1cncc([N+](=O)[O-])n1 39118545 169302599 /nfs/dbraw/zinc/30/25/99/169302599.db2.gz KWEIGRDNZFXGSX-UHFFFAOYSA-N 0 0 140.102 -0.033 10 5 ABBERN Nc1cnncc1[N+](=O)[O-] 26038343 169303436 /nfs/dbraw/zinc/30/34/36/169303436.db2.gz YRRSXLDQHZIQDR-UHFFFAOYSA-N 0 0 140.102 -0.033 10 5 ABBERN Nc1cnnc(N)c1[N+](=O)[O-] 39135224 169303958 /nfs/dbraw/zinc/30/39/58/169303958.db2.gz DMOJXKMTUUJBQQ-UHFFFAOYSA-N 0 0 155.117 -0.451 10 5 ABBERN Nc1n[nH]nc1[N+](=O)[O-] 44184454 169304999 /nfs/dbraw/zinc/30/49/99/169304999.db2.gz XJNZFACGYODFBA-UHFFFAOYSA-N 0 0 129.079 -0.705 10 5 ABBERN Nc1nc(NCCO)ccc1[N+](=O)[O-] 39117333 169305773 /nfs/dbraw/zinc/30/57/73/169305773.db2.gz SGXWWLPADNJGFI-UHFFFAOYSA-N 0 0 198.182 -0.024 10 5 ABBERN Nc1nc([N+](=O)[O-])nc2[nH]cnc12 45821156 169307110 /nfs/dbraw/zinc/30/71/10/169307110.db2.gz NVIATZSDAYSNSB-UHFFFAOYSA-N 0 0 180.127 -0.157 10 5 ABBERN Nc1nccnc1[N+](=O)[O-] 26036923 169309820 /nfs/dbraw/zinc/30/98/20/169309820.db2.gz VTRZWCNUMQBCRA-UHFFFAOYSA-N 0 0 140.102 -0.033 10 5 ABBERN Nc1nnc([N+](=O)[O-])o1 95922741 169310817 /nfs/dbraw/zinc/31/08/17/169310817.db2.gz DZNMNRIBCGTLCW-UHFFFAOYSA-N 0 0 130.063 -0.440 10 5 ABBERN Nc1nonc1-n1cc([N+](=O)[O-])nn1 4171179 169311514 /nfs/dbraw/zinc/31/15/14/169311514.db2.gz FAUATVHPVUFUJA-UHFFFAOYSA-N 0 0 197.114 -0.859 10 5 ABBERN Nn1nccc1[N+](=O)[O-] 95923197 169313285 /nfs/dbraw/zinc/31/32/85/169313285.db2.gz ZATDRUZEOKGHCS-UHFFFAOYSA-N 0 0 128.091 -0.495 10 5 ABBERN Nn1ccnc1[N+](=O)[O-] 104836282 169313438 /nfs/dbraw/zinc/31/34/38/169313438.db2.gz JKGXVAZSFAMIOQ-UHFFFAOYSA-N 0 0 128.091 -0.495 10 5 ABBERN Nn1ccc([N+](=O)[O-])n1 34412232 169313463 /nfs/dbraw/zinc/31/34/63/169313463.db2.gz MWXPPBVPADPADV-UHFFFAOYSA-N 0 0 128.091 -0.495 10 5 ABBERN O=C(NCO)c1cncc([N+](=O)[O-])c1 140929219 169328825 /nfs/dbraw/zinc/32/88/25/169328825.db2.gz BCOZDCOODVFSSQ-UHFFFAOYSA-N 0 0 197.150 -0.331 10 5 ABBERN O=C1N=c2ccc([N+](=O)[O-])cc2=N1 5843697 169384352 /nfs/dbraw/zinc/38/43/52/169384352.db2.gz CLHXKSVLPCOPHR-UHFFFAOYSA-N 0 0 177.119 -0.032 10 5 ABBERN O=[N+]([O-])[C@H](CO)[C@H](O)c1cccnc1 34781627 169412887 /nfs/dbraw/zinc/41/28/87/169412887.db2.gz OBZDBQHBSIONOS-HTQZYQBOSA-N 0 0 198.178 -0.247 10 5 ABBERN O=[N+]([O-])[C@H](CO)[C@H](O)c1ccncc1 34781633 169412891 /nfs/dbraw/zinc/41/28/91/169412891.db2.gz LKKGQHPPEZLYSG-HTQZYQBOSA-N 0 0 198.178 -0.247 10 5 ABBERN O=[N+]([O-])[C@H](CO)[C@@H](O)c1cccnc1 34781625 169412960 /nfs/dbraw/zinc/41/29/60/169412960.db2.gz OBZDBQHBSIONOS-SFYZADRCSA-N 0 0 198.178 -0.247 10 5 ABBERN O=[N+]([O-])c1cc[n+]([O-])cc1NCCO 247409412 169413202 /nfs/dbraw/zinc/41/32/02/169413202.db2.gz PCAUYVLOZCPWEU-UHFFFAOYSA-N 0 0 199.166 -0.368 10 5 ABBERN O=[N+]([O-])c1ccc(-n2cnnn2)nc1 115370932 169413783 /nfs/dbraw/zinc/41/37/83/169413783.db2.gz ZUAUTYRTRACKCL-UHFFFAOYSA-N 0 0 192.138 -0.035 10 5 ABBERN O=[N+]([O-])c1cnc(-n2cnnn2)nc1 115373421 169414775 /nfs/dbraw/zinc/41/47/75/169414775.db2.gz GFRRFJQXQDEBSQ-UHFFFAOYSA-N 0 0 193.126 -0.640 10 5 ABBERN O=[N+]([O-])CC[N+](=O)[O-] 5178891 171015600 /nfs/dbraw/zinc/01/56/00/171015600.db2.gz UXGRXJVMQSSUGS-UHFFFAOYSA-N 0 0 120.064 -0.460 10 5 ABBERN O=[N+]([O-])CCC[N+](=O)[O-] 5113960 171015634 /nfs/dbraw/zinc/01/56/34/171015634.db2.gz ITUGOFFBEXBDGZ-UHFFFAOYSA-N 0 0 134.091 -0.070 10 5 ABBERN CN(C)c1nc[nH]c(=O)c1[N+](=O)[O-] 12654042 171026430 /nfs/dbraw/zinc/02/64/30/171026430.db2.gz UNRFMTVJUUGAGF-UHFFFAOYSA-N 0 0 184.155 -0.256 10 5 ABBERN CC(=O)OCC[N+](=O)[O-] 29397876 171048782 /nfs/dbraw/zinc/04/87/82/171048782.db2.gz WFOWWWKKYONWQY-UHFFFAOYSA-N 0 0 133.103 -0.174 10 5 ABBERN NC(=O)c1cnc(N)c([N+](=O)[O-])c1 31791644 171049712 /nfs/dbraw/zinc/04/97/12/171049712.db2.gz ULRAQWKBQNFNNX-UHFFFAOYSA-N 0 0 182.139 -0.329 10 5 ABBERN NC(=O)c1nc(N)ccc1[N+](=O)[O-] 39017782 171063412 /nfs/dbraw/zinc/06/34/12/171063412.db2.gz WVCKGBPVHUJMLG-UHFFFAOYSA-N 0 0 182.139 -0.329 10 5 ABBERN O=[N+]([O-])c1c[nH]c(CO)n1 39061334 171068793 /nfs/dbraw/zinc/06/87/93/171068793.db2.gz PHHAIRBPLMMDPO-UHFFFAOYSA-N 0 0 143.102 -0.190 10 5 ABBERN O=C1C=c2cc([N+](=O)[O-])ccc2=N1 38538394 171069986 /nfs/dbraw/zinc/06/99/86/171069986.db2.gz DFRKPWJGEYQSNZ-UHFFFAOYSA-N 0 0 176.131 -0.465 10 5 ABBERN NNc1ccc([N+](=O)[O-])c(C(N)=O)c1 51121953 171096754 /nfs/dbraw/zinc/09/67/54/171096754.db2.gz YCCXEDUPQUJRJH-UHFFFAOYSA-N 0 0 196.166 -0.021 10 5 ABBERN O=c1c([N+](=O)[O-])cccn1CCO 50445849 171096827 /nfs/dbraw/zinc/09/68/27/171096827.db2.gz FHLNEZMFUZADDK-UHFFFAOYSA-N 0 0 184.151 -0.251 10 5 ABBERN C[N+]1([O-])CCOCC1 62624972 171102656 /nfs/dbraw/zinc/10/26/56/171102656.db2.gz IRPGPGLVZOAFCU-UHFFFAOYSA-N 0 0 118.156 -0.148 10 5 in-vitro ABBERN O=[N+]([O-])c1n[nH]nc1[N+](=O)[O-] 81170385 171120944 /nfs/dbraw/zinc/12/09/44/171120944.db2.gz AAQNBUSGUPVHBJ-UHFFFAOYSA-N 0 0 159.061 -0.379 10 5 ABBERN NC[N+](=O)[O-] 104634196 171148047 /nfs/dbraw/zinc/14/80/47/171148047.db2.gz KHXLYFSTSOVKSI-UHFFFAOYSA-N 0 0 76.055 -0.821 10 5 ABBERN C[C@@H]1OCC1([N+](=O)[O-])[N+](=O)[O-] 104839798 171148879 /nfs/dbraw/zinc/14/88/79/171148879.db2.gz RPYQPEASKPBLMK-VKHMYHEASA-N 0 0 162.101 -0.345 10 5 ABBERN O=[N+]([O-])c1nccn1C[C@@H](O)[C@@H]1CO1 13211993 171166538 /nfs/dbraw/zinc/16/65/38/171166538.db2.gz ZCYGGQNUISTTBA-RITPCOANSA-N 0 0 199.166 -0.449 10 5 ABBERN O=[N+]([O-])c1nccn1C[C@H](O)[C@@H]1CO1 13211991 171166636 /nfs/dbraw/zinc/16/66/36/171166636.db2.gz ZCYGGQNUISTTBA-WDSKDSINSA-N 0 0 199.166 -0.449 10 5 ABBERN O=[N+]([O-])c1nccn1C[C@@H](O)[C@H]1CO1 13211997 171166739 /nfs/dbraw/zinc/16/67/39/171166739.db2.gz ZCYGGQNUISTTBA-PHDIDXHHSA-N 0 0 199.166 -0.449 10 5 ABBERN O=[N+]([O-])c1nccn1C[C@H](O)[C@H]1CO1 13211995 171166838 /nfs/dbraw/zinc/16/68/38/171166838.db2.gz ZCYGGQNUISTTBA-NTSWFWBYSA-N 0 0 199.166 -0.449 10 5 ABBERN O=[N+]([O-])c1nnn2c1NCC2 82406839 171171429 /nfs/dbraw/zinc/17/14/29/171171429.db2.gz GUHVOBOZYIIYHJ-UHFFFAOYSA-N 0 0 155.117 -0.388 10 5 ABBERN O=[N+]([O-])c1ncn(C[C@@H]2CO2)n1 34301634 171191863 /nfs/dbraw/zinc/19/18/63/171191863.db2.gz KQGCISLEQYRBPJ-SCSAIBSYSA-N 0 0 170.128 -0.415 10 5 ABBERN O=[N+]([O-])c1ncn(C[C@H]2CO2)n1 34301635 171192025 /nfs/dbraw/zinc/19/20/25/171192025.db2.gz KQGCISLEQYRBPJ-BYPYZUCNSA-N 0 0 170.128 -0.415 10 5 ABBERN O=[N+]([O-])c1nonc1[N+](=O)[O-] 34497654 171192094 /nfs/dbraw/zinc/19/20/94/171192094.db2.gz KIJCKNUNZABDBC-UHFFFAOYSA-N 0 0 160.045 -0.114 10 5 ABBERN O=[N+]([O-])c1nnco1 96347480 171199333 /nfs/dbraw/zinc/19/93/33/171199333.db2.gz HOEPMAUJYIXJPS-UHFFFAOYSA-N 0 0 115.048 -0.022 10 5 ABBERN C[N+](C)(CCO)NCCC(=O)[O-] 169309018 171214338 /nfs/dbraw/zinc/21/43/38/171214338.db2.gz LJIDCPCPNLAYTG-UHFFFAOYSA-O 0 0 177.224 -0.966 10 5 ABBERN C[N+](C)(CCO)CCCC(=O)[O-] 169308684 171214367 /nfs/dbraw/zinc/21/43/67/171214367.db2.gz DPBBPLLVCYETBX-UHFFFAOYSA-O 0 0 176.236 -0.080 10 5 ABBERN O=[N+]([O-])c1nccn1COCCO 13220211 171222693 /nfs/dbraw/zinc/22/26/93/171222693.db2.gz MXOGOOYEWPLTOB-UHFFFAOYSA-N 0 0 187.155 -0.242 10 5 ABBERN O=[N+]([O-])Cn1cnc([N+](=O)[O-])n1 32217584 171225352 /nfs/dbraw/zinc/22/53/52/171225352.db2.gz CFOHRKOGLRGZBE-UHFFFAOYSA-N 0 0 173.088 -0.580 10 5 ABBERN O=[N+]([O-])CC1(O)CCOCC1 115324215 171226548 /nfs/dbraw/zinc/22/65/48/171226548.db2.gz HVAGLCLPZYKTQQ-UHFFFAOYSA-N 0 0 161.157 -0.195 10 5 ABBERN Cn1ccc([C@](C)(CO)[N+](=O)[O-])n1 584619652 346730764 /nfs/dbraw/zinc/73/07/64/346730764.db2.gz WUFYTZMKRHEHGM-ZETCQYMHSA-N 0 0 185.183 -0.096 10 5 ABBERN C[N+]1(C)C[C@H](O)[C@H](C(=O)[O-])C1 3978723 229141226 /nfs/dbraw/zinc/14/12/26/229141226.db2.gz WTBNMEWVZFFAPJ-RITPCOANSA-O 0 0 160.193 -0.862 10 5 in-vitro ABBERN C[NH+]1CCC(O)(C[N+](=O)[O-])CC1 1708477 342960968 /nfs/dbraw/zinc/96/09/68/342960968.db2.gz XIKAWPIDTFYWLQ-UHFFFAOYSA-N 0 0 174.200 -0.280 10 5 ABBERN Nc1c([N+](=O)[O-])nnc2ccnn12 19863987 343062353 /nfs/dbraw/zinc/06/23/53/343062353.db2.gz CVNXPEBGJAZBEU-UHFFFAOYSA-N 0 0 180.127 -0.385 10 5 ABBERN Cn1cnc([N+](=O)[O-])c1NN 35663895 343136073 /nfs/dbraw/zinc/13/60/73/343136073.db2.gz ITRKQWAKOVOVHT-UHFFFAOYSA-N 0 0 157.133 -0.386 10 5 ABBERN Cc1nn(N)cc1[N+](=O)[O-] 38804974 343190617 /nfs/dbraw/zinc/19/06/17/343190617.db2.gz BNJBZMQXFRGXCD-UHFFFAOYSA-N 0 0 142.118 -0.186 10 5 ABBERN CC1(C)OC[C@H]([C@@H](O)C[N+](=O)[O-])O1 39419443 343212242 /nfs/dbraw/zinc/21/22/42/343212242.db2.gz NUMMXFZHBMAYKM-NTSWFWBYSA-N 0 0 191.183 -0.225 10 5 ABBERN 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/nfs/dbraw/zinc/15/87/07/717158707.db2.gz ITGDCTOZCYUFKI-RNFRBKRXSA-O 0 0 176.236 -0.226 10 5 ABBERN C[N+](C)(C)C[C@@H](O)CCC(=O)[O-] 197426921 717158727 /nfs/dbraw/zinc/15/87/27/717158727.db2.gz DOKDEBCRGLMMKR-ZETCQYMHSA-O 0 0 176.236 -0.082 10 5 ABBERN C[C@@H](C(=O)[O-])[C@@H](O)C[N+](C)(C)C 196970436 717158821 /nfs/dbraw/zinc/15/88/21/717158821.db2.gz ITGDCTOZCYUFKI-RQJHMYQMSA-O 0 0 176.236 -0.226 10 5 ABBERN C[N+](C)(C)C[C@H](O)CCC(=O)[O-] 197426898 717158858 /nfs/dbraw/zinc/15/88/58/717158858.db2.gz DOKDEBCRGLMMKR-SSDOTTSWSA-O 0 0 176.236 -0.082 10 5 ABBERN C[C@H](C(=O)[O-])[C@@H](O)C[N+](C)(C)C 196970424 717158902 /nfs/dbraw/zinc/15/89/02/717158902.db2.gz ITGDCTOZCYUFKI-BQBZGAKWSA-O 0 0 176.236 -0.226 10 5 ABBERN C[N+](C)(C)C[C@@H](CC(=O)[O-])ON 98091537 573184423 /nfs/dbraw/zinc/18/44/23/573184423.db2.gz UMHYJINKXTXFTO-ZCFIWIBFSA-O 0 0 177.224 -0.574 10 5 ABBERN CNC1=N[N+](C)(C)[C@@H](CC(=O)[O-])O1 238314218 573237560 /nfs/dbraw/zinc/23/75/60/573237560.db2.gz 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CC(C)[C@@H](O)C(CO)(CO)[N+](=O)[O-] 687806381 571865097 /nfs/dbraw/zinc/86/50/97/571865097.db2.gz ORKMZPIMMFTWFY-ZCFIWIBFSA-N 0 0 193.199 -0.997 10 5 ABBERN CC(C)[C@H](O)C(CO)(CO)[N+](=O)[O-] 687806380 571865244 /nfs/dbraw/zinc/86/52/44/571865244.db2.gz ORKMZPIMMFTWFY-LURJTMIESA-N 0 0 193.199 -0.997 10 5 ABBERN C[C@@H](CO)n1ncnc1[N+](=O)[O-] 687806232 571865625 /nfs/dbraw/zinc/86/56/25/571865625.db2.gz MFRYETGAJNRYMA-BYPYZUCNSA-N 0 0 172.144 -0.260 10 5 ABBERN C[C@H](CO)n1ncnc1[N+](=O)[O-] 687806236 571866568 /nfs/dbraw/zinc/86/65/68/571866568.db2.gz MFRYETGAJNRYMA-SCSAIBSYSA-N 0 0 172.144 -0.260 10 5 ABBERN CO[C@H]1O[C@@H](C)CC([N+](=O)[O-])[C@H]1O 687806428 571868499 /nfs/dbraw/zinc/86/84/99/571868499.db2.gz RZLYOFNMYGIVLL-WNJXEPBRSA-N 0 0 191.183 -0.226 10 5 ABBERN O=[N+]([O-])c1nnc(CO)s1 687806615 571885322 /nfs/dbraw/zinc/88/53/22/571885322.db2.gz KPVZVOQLJRMSAM-UHFFFAOYSA-N 0 0 161.142 -0.061 10 5 ABBERN NC[C@@](Br)(CO)[N+](=O)[O-] 687727625 571893124 /nfs/dbraw/zinc/89/31/24/571893124.db2.gz HEKKJRFBOXZUMB-VKHMYHEASA-N 0 0 199.004 -0.695 10 5 ABBERN O=[N+]([O-])C1=NCCN1C[C@@H](O)F 687806669 571889467 /nfs/dbraw/zinc/88/94/67/571889467.db2.gz ADPVMUGPPNLHKP-SCSAIBSYSA-N 0 0 177.135 -0.777 10 5 ABBERN C[C@@]1(O)CCC([N+](=O)[O-])=C2NCCN21 687727141 571889501 /nfs/dbraw/zinc/88/95/01/571889501.db2.gz FFXBDPPOVZTEJT-MRVPVSSYSA-N 0 0 199.210 -0.160 10 5 ABBERN C[C@]1(O)CCC([N+](=O)[O-])=C2NCCN21 687727142 571890475 /nfs/dbraw/zinc/89/04/75/571890475.db2.gz FFXBDPPOVZTEJT-QMMMGPOBSA-N 0 0 199.210 -0.160 10 5 ABBERN O=[N+]([O-])C1=NCCN1C[C@H](O)F 687806668 571891087 /nfs/dbraw/zinc/89/10/87/571891087.db2.gz ADPVMUGPPNLHKP-BYPYZUCNSA-N 0 0 177.135 -0.777 10 5 ABBERN Cc1nc([N+](=O)[O-])c(C(N)=O)n1C 687727183 571891095 /nfs/dbraw/zinc/89/10/95/571891095.db2.gz DYQJLPDTQGBDDR-UHFFFAOYSA-N 0 0 184.155 -0.264 10 5 ABBERN CCOc1nc(N)nc(N)c1[N+](=O)[O-] 687727470 571891384 /nfs/dbraw/zinc/89/13/84/571891384.db2.gz ZJEDJEJQTQACRL-UHFFFAOYSA-N 0 0 199.170 -0.052 10 5 ABBERN C[C@H](C[N+](=O)[O-])N[C@H](C)C[N+](=O)[O-] 687727593 571891461 /nfs/dbraw/zinc/89/14/61/571891461.db2.gz QVMJHQJKHWSACN-PHDIDXHHSA-N 0 0 191.187 -0.094 10 5 ABBERN CNc1c([N+](=O)[O-])nn(C)[n+]1[O-] 687727149 571891758 /nfs/dbraw/zinc/89/17/58/571891758.db2.gz KUVINPMCHNVQSM-UHFFFAOYSA-N 0 0 173.132 -0.997 10 5 ABBERN C[C@@H](C[N+](=O)[O-])N[C@@H](C)C[N+](=O)[O-] 687727594 571891765 /nfs/dbraw/zinc/89/17/65/571891765.db2.gz QVMJHQJKHWSACN-WDSKDSINSA-N 0 0 191.187 -0.094 10 5 ABBERN Cn1cnc(C(N)=O)c1[N+](=O)[O-] 687727576 571891802 /nfs/dbraw/zinc/89/18/02/571891802.db2.gz GZHSIZSKWUWRFN-UHFFFAOYSA-N 0 0 170.128 -0.573 10 5 ABBERN NC(=O)CCC(F)([N+](=O)[O-])[N+](=O)[O-] 687727637 571891949 /nfs/dbraw/zinc/89/19/49/571891949.db2.gz MSNRLEFCEGZYDL-UHFFFAOYSA-N 0 0 195.106 -0.571 10 5 ABBERN NC(=O)Cn1cccc1[N+](=O)[O-] 687727619 571892176 /nfs/dbraw/zinc/89/21/76/571892176.db2.gz DNAFIWKKTWINNR-UHFFFAOYSA-N 0 0 169.140 -0.118 10 5 ABBERN O=[N+]([O-])C1=C2NCCN2[C@H](O)CC1 687727156 571892206 /nfs/dbraw/zinc/89/22/06/571892206.db2.gz SSOXWHYPZGWWTG-ZCFIWIBFSA-N 0 0 185.183 -0.550 10 5 ABBERN C[C@@H](C[N+](=O)[O-])N[C@H](C)C[N+](=O)[O-] 687727592 571892810 /nfs/dbraw/zinc/89/28/10/571892810.db2.gz QVMJHQJKHWSACN-OLQVQODUSA-N 0 0 191.187 -0.094 10 5 ABBERN CC(CCC(N)=O)([N+](=O)[O-])[N+](=O)[O-] 687727458 571893034 /nfs/dbraw/zinc/89/30/34/571893034.db2.gz MFSHVWKWRWILDD-UHFFFAOYSA-N 0 0 191.143 -0.479 10 5 ABBERN O=C1CCC([N+](=O)[O-])=C2NCCN12 687727152 571893051 /nfs/dbraw/zinc/89/30/51/571893051.db2.gz QGPDCQOPLCWXDT-UHFFFAOYSA-N 0 0 183.167 -0.342 10 5 ABBERN O=[N+]([O-])C1=C2NCCN2[C@@H](O)CC1 687727155 571893055 /nfs/dbraw/zinc/89/30/55/571893055.db2.gz SSOXWHYPZGWWTG-LURJTMIESA-N 0 0 185.183 -0.550 10 5 ABBERN CNc1nc(N)n(C)c(=O)c1[N+](=O)[O-] 687727395 571893284 /nfs/dbraw/zinc/89/32/84/571893284.db2.gz AHALCTIHPUZLIS-UHFFFAOYSA-N 0 0 199.170 -0.688 10 5 ABBERN NC[C@](Br)(CO)[N+](=O)[O-] 687727624 571893342 /nfs/dbraw/zinc/89/33/42/571893342.db2.gz HEKKJRFBOXZUMB-GSVOUGTGSA-N 0 0 199.004 -0.695 10 5 ABBERN COC(=O)[C@@H](N)C[C@H]1C[C@@H]1[N+](=O)[O-] 687727456 571893688 /nfs/dbraw/zinc/89/36/88/571893688.db2.gz KAXKPDLDKKJDRH-ZLUOBGJFSA-N 0 0 188.183 -0.458 10 5 ABBERN CNc1nc(=O)n(C)cc1[N+](=O)[O-] 687727330 571898649 /nfs/dbraw/zinc/89/86/49/571898649.db2.gz CXCXJDFUPLQOTO-UHFFFAOYSA-N 0 0 184.155 -0.436 10 5 ABBERN Cc1c([N+](=O)[O-])c(=N)nc2n1CCN2 687727221 571894601 /nfs/dbraw/zinc/89/46/01/571894601.db2.gz PTKTZLANJPPHKS-UHFFFAOYSA-N 0 0 195.182 -0.253 10 5 ABBERN CC1([N+](=O)[O-])[C@@H](O)CCC[C@@H]1O 687806748 571894602 /nfs/dbraw/zinc/89/46/02/571894602.db2.gz MCIGQXLXLHKWBC-WDSKDSINSA-N 0 0 175.184 -0.073 10 5 ABBERN Nc1nc(N)c([N+](=O)[O-])nc1N 687727253 571894908 /nfs/dbraw/zinc/89/49/08/571894908.db2.gz YGLGSWFHQYNZBT-UHFFFAOYSA-N 0 0 170.132 -0.869 10 5 ABBERN C[C@]1([N+](=O)[O-])[C@@H](O)CCC[C@H]1O 687806747 571896439 /nfs/dbraw/zinc/89/64/39/571896439.db2.gz MCIGQXLXLHKWBC-KVSKUHBBSA-N 0 0 175.184 -0.073 10 5 ABBERN COC(=O)[C@H](N)C[C@@H](C)[N+](=O)[O-] 687727778 571897136 /nfs/dbraw/zinc/89/71/36/571897136.db2.gz MQZBOAPMZSFUFP-RFZPGFLSSA-N 0 0 176.172 -0.458 10 5 ABBERN CCn1nc(N)c([N+](=O)[O-])[n+]1[O-] 687727852 571897320 /nfs/dbraw/zinc/89/73/20/571897320.db2.gz RCNWVLJLTYFPOK-UHFFFAOYSA-N 0 0 173.132 -0.973 10 5 ABBERN Nc1c([N+](=O)[O-])ccc2c1no[n+]2[O-] 687727760 571897725 /nfs/dbraw/zinc/89/77/25/571897725.db2.gz XFSBOCYHVAHSFG-UHFFFAOYSA-N 0 0 196.122 -0.048 10 5 ABBERN Nc1[n-][n+](=O)ccc1[N+](=O)[O-] 687727367 571897747 /nfs/dbraw/zinc/89/77/47/571897747.db2.gz IZIBBMPGSDKOOU-UHFFFAOYSA-N 0 0 157.109 -0.580 10 5 ABBERN C[C@@H](n1ccc(N)nc1=O)[N+](=O)[O-] 687727376 571897751 /nfs/dbraw/zinc/89/77/51/571897751.db2.gz RQSXSZNYSLXLLB-BYPYZUCNSA-N 0 0 184.155 -0.137 10 5 ABBERN Nc1nc(=O)n2c(c1[N+](=O)[O-])NCC2 687727729 571897835 /nfs/dbraw/zinc/89/78/35/571897835.db2.gz KOSASRSBABOTJT-UHFFFAOYSA-N 0 0 197.154 -0.598 10 5 ABBERN Cn1c([N+](=O)[O-])cnc1CNC(N)=O 687727366 571897887 /nfs/dbraw/zinc/89/78/87/571897887.db2.gz FGJKOGODUTWXKO-UHFFFAOYSA-N 0 0 199.170 -0.503 10 5 ABBERN Cc1nc(N)c([N+](=O)[O-])c(N)[n+]1[O-] 687727830 571898274 /nfs/dbraw/zinc/89/82/74/571898274.db2.gz IZXFWKQMHMSFRW-UHFFFAOYSA-N 0 0 185.143 -0.904 10 5 ABBERN CNCC(C)([N+](=O)[O-])[N+](=O)[O-] 687727715 571898433 /nfs/dbraw/zinc/89/84/33/571898433.db2.gz FFEGWHIAKVCBTD-UHFFFAOYSA-N 0 0 163.133 -0.525 10 5 ABBERN Nn1ccnc1-c1nc([N+](=O)[O-])c[nH]1 687727761 571898766 /nfs/dbraw/zinc/89/87/66/571898766.db2.gz XVLUEIHDKQQYTI-UHFFFAOYSA-N 0 0 194.154 -0.105 10 5 ABBERN C[C@H](n1ccc(N)nc1=O)[N+](=O)[O-] 687727377 571898809 /nfs/dbraw/zinc/89/88/09/571898809.db2.gz RQSXSZNYSLXLLB-SCSAIBSYSA-N 0 0 184.155 -0.137 10 5 ABBERN O=[N+]([O-])c1c[nH]nc1NC1=NCCN1 687728284 571899124 /nfs/dbraw/zinc/89/91/24/571899124.db2.gz KTGJFWCBXFMVFK-UHFFFAOYSA-N 0 0 196.170 -0.311 10 5 ABBERN CN1CCO[C@@]12C=CC([N+](=O)[O-])=CN2 687728356 571899167 /nfs/dbraw/zinc/89/91/67/571899167.db2.gz IXHZFDODZOTWEB-MRVPVSSYSA-N 0 0 197.194 -0.120 10 5 ABBERN C[C@@H]1NC([N+](=O)[O-])=C(N)N1C 687728309 571899397 /nfs/dbraw/zinc/89/93/97/571899397.db2.gz SFGCNHTXBICFPA-GSVOUGTGSA-N 0 0 158.161 -0.771 10 5 ABBERN C[C@H]1NC([N+](=O)[O-])=C(N)N1C 687728310 571899661 /nfs/dbraw/zinc/89/96/61/571899661.db2.gz SFGCNHTXBICFPA-VKHMYHEASA-N 0 0 158.161 -0.771 10 5 ABBERN CNc1nc(OC)nc([N+](=O)[O-])n1 687727949 571900481 /nfs/dbraw/zinc/90/04/81/571900481.db2.gz XXPJDFJDEHUXBX-UHFFFAOYSA-N 0 0 185.143 -0.748 10 5 ABBERN C[C@@H]1NC(N)=C([N+](=O)[O-])N1C 687728285 571900529 /nfs/dbraw/zinc/90/05/29/571900529.db2.gz KUDWHEBWVMFJCB-GSVOUGTGSA-N 0 0 158.161 -0.771 10 5 ABBERN C[C@H]1C(=O)O[C@H](CO)[C@@H]1C[N+](=O)[O-] 687806895 571900800 /nfs/dbraw/zinc/90/08/00/571900800.db2.gz DWXVELWJYQZFPL-HSUXUTPPSA-N 0 0 189.167 -0.567 10 5 ABBERN COC(CNC(N)=C[N+](=O)[O-])OC 687728097 571902389 /nfs/dbraw/zinc/90/23/89/571902389.db2.gz ZEXDSRINAVHDJL-SNAWJCMRSA-N 0 0 191.187 -0.771 10 5 ABBERN CCNc1c([N+](=O)[O-])nn(C)[n+]1[O-] 687727922 571901185 /nfs/dbraw/zinc/90/11/85/571901185.db2.gz JIAKKTBBKZFCSV-UHFFFAOYSA-N 0 0 187.159 -0.607 10 5 ABBERN C[C@H]1NC(N)=C([N+](=O)[O-])N1C 687728286 571901189 /nfs/dbraw/zinc/90/11/89/571901189.db2.gz KUDWHEBWVMFJCB-VKHMYHEASA-N 0 0 158.161 -0.771 10 5 ABBERN CNc1no[n+]([O-])c1[N+](=O)[O-] 687727951 571901421 /nfs/dbraw/zinc/90/14/21/571901421.db2.gz YSUPVRGLSGJHKV-UHFFFAOYSA-N 0 0 160.089 -0.742 10 5 ABBERN CN(C)c1nc(N)c([N+](=O)[O-])c(N)n1 687727967 571901498 /nfs/dbraw/zinc/90/14/98/571901498.db2.gz CLKYRWLFMBYWPK-UHFFFAOYSA-N 0 0 198.186 -0.385 10 5 ABBERN CC[NH2+]C[C@](C)(CO)[N+](=O)[O-] 687728115 571903483 /nfs/dbraw/zinc/90/34/83/571903483.db2.gz KADWXYZIGXVMGE-ZCFIWIBFSA-N 0 0 162.189 -0.376 10 5 ABBERN CNC(=O)c1[nH]c([N+](=O)[O-])nc1NC 687728017 571903504 /nfs/dbraw/zinc/90/35/04/571903504.db2.gz BWFBPQNILFJQBX-UHFFFAOYSA-N 0 0 199.170 -0.281 10 5 ABBERN Cn1c(N)nc(=O)c([N+](=O)[O-])c1N 687728727 571902376 /nfs/dbraw/zinc/90/23/76/571902376.db2.gz KBOPLILFJIQJSS-UHFFFAOYSA-N 0 0 185.143 -0.904 10 5 ABBERN NC(=O)CC(Cl)([N+](=O)[O-])[N+](=O)[O-] 687728722 571902667 /nfs/dbraw/zinc/90/26/67/571902667.db2.gz HMCVWDJFPZACEI-UHFFFAOYSA-N 0 0 197.534 -0.692 10 5 ABBERN N=C(N)C(F)([N+](=O)[O-])[N+](=O)[O-] 687728780 571903521 /nfs/dbraw/zinc/90/35/21/571903521.db2.gz RVOLOVMMWQQTHM-UHFFFAOYSA-N 0 0 166.068 -0.901 10 5 ABBERN Nc1n[n+]([O-])c(Cl)cc1[N+](=O)[O-] 687728078 571902909 /nfs/dbraw/zinc/90/29/09/571902909.db2.gz OEBWEJXXBSQAQG-UHFFFAOYSA-N 0 0 190.546 -0.141 10 5 ABBERN CC[NH2+]C[C@@](C)(CO)[N+](=O)[O-] 687728114 571902946 /nfs/dbraw/zinc/90/29/46/571902946.db2.gz KADWXYZIGXVMGE-LURJTMIESA-N 0 0 162.189 -0.376 10 5 ABBERN Cn1cc(N)c(=O)c([N+](=O)[O-])c1 687728723 571902972 /nfs/dbraw/zinc/90/29/72/571902972.db2.gz ISEPWDBXZVQFTN-UHFFFAOYSA-N 0 0 169.140 -0.124 10 5 ABBERN CC[C@](CO)(C[NH2+]C)[N+](=O)[O-] 687728132 571903053 /nfs/dbraw/zinc/90/30/53/571903053.db2.gz OTTHSWKRKNGKFH-ZCFIWIBFSA-N 0 0 162.189 -0.376 10 5 ABBERN O=c1[n-]c(=O)n2c(c1[N+](=O)[O-])NCC2 687728040 571903061 /nfs/dbraw/zinc/90/30/61/571903061.db2.gz SNRINFVLXYOJGP-UHFFFAOYSA-N 0 0 198.138 -0.717 10 5 ABBERN CC[C@@](CO)(C[NH2+]C)[N+](=O)[O-] 687728131 571903418 /nfs/dbraw/zinc/90/34/18/571903418.db2.gz OTTHSWKRKNGKFH-LURJTMIESA-N 0 0 162.189 -0.376 10 5 ABBERN Cc1nc(=N)c([N+](=O)[O-])c2n1CCN2 687728773 571903572 /nfs/dbraw/zinc/90/35/72/571903572.db2.gz PEPPOHFKZYCDES-UHFFFAOYSA-N 0 0 195.182 -0.463 10 5 ABBERN C=C1C([N+](=O)[O-])=C(N)NC2=[NH+]CCN12 687728156 571903574 /nfs/dbraw/zinc/90/35/74/571903574.db2.gz XUCFJIGWWFVFFS-UHFFFAOYSA-N 0 0 195.182 -0.821 10 5 ABBERN Cn1c(N)c([N+](=O)[O-])cnc1=O 687728219 571903730 /nfs/dbraw/zinc/90/37/30/571903730.db2.gz ILSYVYBMQZSRBQ-UHFFFAOYSA-N 0 0 170.128 -0.729 10 5 ABBERN COC(CNC(N)=C[N+](=O)[O-])OC 687728096 571903940 /nfs/dbraw/zinc/90/39/40/571903940.db2.gz ZEXDSRINAVHDJL-PLNGDYQASA-N 0 0 191.187 -0.771 10 5 ABBERN CC1(C)OCC(C[NH3+])([N+](=O)[O-])CO1 687728225 571904166 /nfs/dbraw/zinc/90/41/66/571904166.db2.gz LKBOJBYCMFGIMW-UHFFFAOYSA-N 0 0 190.199 -0.257 10 5 ABBERN CNc1c([N+](=O)[O-])c(=O)cc(N)n1C 687728215 571904454 /nfs/dbraw/zinc/90/44/54/571904454.db2.gz HKPDENPHZCJAKK-UHFFFAOYSA-N 0 0 198.182 -0.083 10 5 ABBERN CO[C@H]1C[C@@H](C)C([N+](=O)[O-])=C(N)N1 687728032 571904533 /nfs/dbraw/zinc/90/45/33/571904533.db2.gz OUAIIVCWIISHPS-UHNVWZDZSA-N 0 0 187.199 -0.007 10 5 ABBERN NC(=O)c1c([N+](=O)[O-])ccc(N)c1N 687728449 571905119 /nfs/dbraw/zinc/90/51/19/571905119.db2.gz OUBIUYIJBKYGIL-UHFFFAOYSA-N 0 0 196.166 -0.142 10 5 ABBERN Cc1c([N+](=O)[O-])c(N)nc(=O)n1C 687728440 571905448 /nfs/dbraw/zinc/90/54/48/571905448.db2.gz IGDDKQMQIHCXMU-UHFFFAOYSA-N 0 0 184.155 -0.178 10 5 ABBERN CC[C@]1([N+](=O)[O-])CNCOC1 687728391 571905704 /nfs/dbraw/zinc/90/57/04/571905704.db2.gz ZYWDTQMAACTSTP-LURJTMIESA-N 0 0 160.173 -0.011 10 5 ABBERN CN1CCO[C@]12C=CC([N+](=O)[O-])=CN2 687728357 571906931 /nfs/dbraw/zinc/90/69/31/571906931.db2.gz IXHZFDODZOTWEB-QMMMGPOBSA-N 0 0 197.194 -0.120 10 5 ABBERN CC[C@@]1([N+](=O)[O-])CNCOC1 687728392 571907006 /nfs/dbraw/zinc/90/70/06/571907006.db2.gz ZYWDTQMAACTSTP-ZCFIWIBFSA-N 0 0 160.173 -0.011 10 5 ABBERN Nc1c([N+](=O)[O-])ccc2no[n+]([O-])c12 687728453 571907255 /nfs/dbraw/zinc/90/72/55/571907255.db2.gz PPTKOSIDIFJWPB-UHFFFAOYSA-N 0 0 196.122 -0.048 10 5 ABBERN CCn1c([N+](=O)[O-])cnc1C(N)=O 687728795 571907294 /nfs/dbraw/zinc/90/72/94/571907294.db2.gz YHUXXOFIKXLSSQ-UHFFFAOYSA-N 0 0 184.155 -0.090 10 5 ABBERN CCOC(=O)[C@H](N)C[N+](=O)[O-] 687728513 571907777 /nfs/dbraw/zinc/90/77/77/571907777.db2.gz ZKMIXUFGBMYNCA-SCSAIBSYSA-N 0 0 162.145 -0.847 10 5 ABBERN CN1C=C[C@H](C[N+](=O)[O-])C(C(N)=O)=C1 687728599 571907939 /nfs/dbraw/zinc/90/79/39/571907939.db2.gz NESAKKCNMGSEQA-ZCFIWIBFSA-N 0 0 197.194 -0.292 10 5 ABBERN O=C1CNC(=C([N+](=O)[O-])[N+](=O)[O-])N1 687728490 571908422 /nfs/dbraw/zinc/90/84/22/571908422.db2.gz JJBHMENTGZEVNX-UHFFFAOYSA-N 0 0 188.099 -0.784 10 5 ABBERN COC(=O)[C@H](N)C(C)(C)C[N+](=O)[O-] 687728493 571908926 /nfs/dbraw/zinc/90/89/26/571908926.db2.gz LLRFNXTUVONNJG-YFKPBYRVSA-N 0 0 190.199 -0.210 10 5 ABBERN CN1C=C[C@@H](C[N+](=O)[O-])C(C(N)=O)=C1 687728598 571909123 /nfs/dbraw/zinc/90/91/23/571909123.db2.gz NESAKKCNMGSEQA-LURJTMIESA-N 0 0 197.194 -0.292 10 5 ABBERN Nc1cc(N)c([N+](=O)[O-])c(=O)[nH]1 687728590 571909614 /nfs/dbraw/zinc/90/96/14/571909614.db2.gz JWQZZDAGRHWTGB-UHFFFAOYSA-N 0 0 170.128 -0.140 10 5 ABBERN CCOC(=O)[C@@H](N)C[N+](=O)[O-] 687728512 571909619 /nfs/dbraw/zinc/90/96/19/571909619.db2.gz ZKMIXUFGBMYNCA-BYPYZUCNSA-N 0 0 162.145 -0.847 10 5 ABBERN COc1nc(N)c([N+](=O)[O-])c(N)n1 687728492 571909522 /nfs/dbraw/zinc/90/95/22/571909522.db2.gz KWPHJZIOAXIBLL-UHFFFAOYSA-N 0 0 185.143 -0.442 10 5 ABBERN Cc1nc(=N)n2c(c1[N+](=O)[O-])NCC2 687728499 571910087 /nfs/dbraw/zinc/91/00/87/571910087.db2.gz PUGSVSVEJODZJQ-UHFFFAOYSA-N 0 0 195.182 -0.253 10 5 ABBERN C[C@]1(C(N)=O)CC[C@@H]1[N+](=O)[O-] 687807613 571918701 /nfs/dbraw/zinc/91/87/01/571918701.db2.gz DAAYMPNLDNKNHG-NJGYIYPDSA-N 0 0 158.157 -0.083 10 5 ABBERN C[C@@]1(C(N)=O)CC[C@@H]1[N+](=O)[O-] 687807614 571919292 /nfs/dbraw/zinc/91/92/92/571919292.db2.gz DAAYMPNLDNKNHG-UJURSFKZSA-N 0 0 158.157 -0.083 10 5 ABBERN C[C@@]1(C(N)=O)CC[C@H]1[N+](=O)[O-] 687807612 571919044 /nfs/dbraw/zinc/91/90/44/571919044.db2.gz DAAYMPNLDNKNHG-INEUFUBQSA-N 0 0 158.157 -0.083 10 5 ABBERN C[C@]1(C(N)=O)CC[C@H]1[N+](=O)[O-] 687807615 571920252 /nfs/dbraw/zinc/92/02/52/571920252.db2.gz DAAYMPNLDNKNHG-XINAWCOVSA-N 0 0 158.157 -0.083 10 5 ABBERN NC(=O)/C=C\C(F)([N+](=O)[O-])[N+](=O)[O-] 687808253 571927110 /nfs/dbraw/zinc/92/71/10/571927110.db2.gz WLMZSYAMZQSJIQ-UPHRSURJSA-N 0 0 193.090 -0.795 10 5 ABBERN NC(=O)/C=C/C(F)([N+](=O)[O-])[N+](=O)[O-] 687808252 571927944 /nfs/dbraw/zinc/92/79/44/571927944.db2.gz WLMZSYAMZQSJIQ-OWOJBTEDSA-N 0 0 193.090 -0.795 10 5 ABBERN C[C@@H]1O[C@H](O)CC([N+](=O)[O-])[C@H]1O 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/nfs/dbraw/zinc/93/61/82/571936182.db2.gz JIABHWAPEWIZJJ-WDSKDSINSA-N 0 0 175.140 -0.489 10 5 ABBERN CO[C@@H]1OCC=C([N+](=O)[O-])[C@@H]1O 687809219 571936189 /nfs/dbraw/zinc/93/61/89/571936189.db2.gz JIABHWAPEWIZJJ-NTSWFWBYSA-N 0 0 175.140 -0.489 10 5 ABBERN CO[C@@H]1OC=C[C@H]([N+](=O)[O-])[C@@H]1O 687809212 571936246 /nfs/dbraw/zinc/93/62/46/571936246.db2.gz AORFJPYTWVAVKN-HCWXCVPCSA-N 0 0 175.140 -0.491 10 5 ABBERN CO[C@@H]1OC=C[C@@H]([N+](=O)[O-])[C@@H]1O 687809214 571936292 /nfs/dbraw/zinc/93/62/92/571936292.db2.gz AORFJPYTWVAVKN-NGJCXOISSA-N 0 0 175.140 -0.491 10 5 ABBERN COC(=O)C(=O)CCC[N+](=O)[O-] 34622041 571936620 /nfs/dbraw/zinc/93/66/20/571936620.db2.gz ZJNSWEPTZJCLPQ-UHFFFAOYSA-N 0 0 175.140 -0.215 10 5 ABBERN C[C@@H]1O[C@H](O)CC([N+](=O)[O-])[C@@H]1O 687809227 571937252 /nfs/dbraw/zinc/93/72/52/571937252.db2.gz WGNHWZFXSUCTKQ-OMMKOOBNSA-N 0 0 177.156 -0.880 10 5 ABBERN C[C@](F)(CO)[N+](=O)[O-] 687749672 571942178 /nfs/dbraw/zinc/94/21/78/571942178.db2.gz 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C[C@H](O)Cn1ncnc1[N+](=O)[O-] 687750266 571946946 /nfs/dbraw/zinc/94/69/46/571946946.db2.gz VYKYRYWBPPJLMT-BYPYZUCNSA-N 0 0 172.144 -0.433 10 5 ABBERN C[C@@H](O)Cn1ncnc1[N+](=O)[O-] 687750267 571947277 /nfs/dbraw/zinc/94/72/77/571947277.db2.gz VYKYRYWBPPJLMT-SCSAIBSYSA-N 0 0 172.144 -0.433 10 5 ABBERN C[C@@H](O)C(C)([N+](=O)[O-])[N+](=O)[O-] 687750473 571948722 /nfs/dbraw/zinc/94/87/22/571948722.db2.gz VRECDJLHUUMSAH-GSVOUGTGSA-N 0 0 164.117 -0.363 10 5 ABBERN CCOC(=O)/C=C/[C@@H](O)C[N+](=O)[O-] 687756379 571949265 /nfs/dbraw/zinc/94/92/65/571949265.db2.gz OICKKUCYJVXSKR-FCJGRKLLSA-N 0 0 189.167 -0.257 10 5 ABBERN CCO[C@](O)(C[N+](=O)[O-])C(C)=O 687751526 571949279 /nfs/dbraw/zinc/94/92/79/571949279.db2.gz WZCOVIJTMYCGJW-ZCFIWIBFSA-N 0 0 177.156 -0.423 10 5 ABBERN CC1([N+](=O)[O-])[C@H](O)CCC[C@H]1O 687756649 571949538 /nfs/dbraw/zinc/94/95/38/571949538.db2.gz MCIGQXLXLHKWBC-PHDIDXHHSA-N 0 0 175.184 -0.073 10 5 ABBERN CO[C@H]1C=C[C@@H](O)[C@H](C[N+](=O)[O-])O1 687756663 571949634 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571952249 /nfs/dbraw/zinc/95/22/49/571952249.db2.gz YAWVHHCWXDDHGS-GBXIJSLDSA-N 0 0 173.527 -0.522 10 5 ABBERN O=[N+]([O-])[C@@](F)(Cl)[C@@H](O)CO 687756705 571952312 /nfs/dbraw/zinc/95/23/12/571952312.db2.gz YAWVHHCWXDDHGS-STHAYSLISA-N 0 0 173.527 -0.522 10 5 ABBERN CC(=O)OCC[C@@H]([C@H](C)O)[N+](=O)[O-] 687757292 571953424 /nfs/dbraw/zinc/95/34/24/571953424.db2.gz YXUWLWDEANXFMF-FSPLSTOPSA-N 0 0 191.183 -0.034 10 5 ABBERN CCOC(=O)/C=C/[C@H](O)C[N+](=O)[O-] 687756382 571952487 /nfs/dbraw/zinc/95/24/87/571952487.db2.gz OICKKUCYJVXSKR-YUDCMIJISA-N 0 0 189.167 -0.257 10 5 ABBERN O=[N+]([O-])C(CO)(CCF)[N+](=O)[O-] 687757370 571953430 /nfs/dbraw/zinc/95/34/30/571953430.db2.gz DXGXLFKBHYRMIE-UHFFFAOYSA-N 0 0 182.107 -0.412 10 5 ABBERN CCOC(=O)[C@H](C)[C@H](O)C[N+](=O)[O-] 687758324 571953441 /nfs/dbraw/zinc/95/34/41/571953441.db2.gz ZONXTEYILZDRHS-PHDIDXHHSA-N 0 0 191.183 -0.177 10 5 ABBERN O=[N+]([O-])c1cc[n+]([O-])c(CO)c1 687756465 571952949 /nfs/dbraw/zinc/95/29/49/571952949.db2.gz 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571954066 /nfs/dbraw/zinc/95/40/66/571954066.db2.gz XIVDRLCUSJBYLU-RFZPGFLSSA-N 0 0 177.156 -0.424 10 5 ABBERN CC[C@H](O)[C@@H](CC(=O)OC)[N+](=O)[O-] 687757741 571954018 /nfs/dbraw/zinc/95/40/18/571954018.db2.gz LTNSEIUOLBTTSU-RITPCOANSA-N 0 0 191.183 -0.034 10 5 ABBERN CCOC(=O)C[C@H](O)C[N+](=O)[O-] 687758320 571954263 /nfs/dbraw/zinc/95/42/63/571954263.db2.gz XJRCXPTWOSCSQM-YFKPBYRVSA-N 0 0 177.156 -0.423 10 5 ABBERN C[C@@H](O)[C@@H](O)C[N+](=O)[O-] 687758261 571954173 /nfs/dbraw/zinc/95/41/73/571954173.db2.gz BSHYRZRYCWBDMX-DMTCNVIQSA-N 0 0 135.119 -0.995 10 5 ABBERN CC[C@@H](O)[C@H](CC(=O)OC)[N+](=O)[O-] 687757739 571954211 /nfs/dbraw/zinc/95/42/11/571954211.db2.gz LTNSEIUOLBTTSU-NTSWFWBYSA-N 0 0 191.183 -0.034 10 5 ABBERN CC[C@H](O)[C@](Cl)(CO)[N+](=O)[O-] 687757427 571954390 /nfs/dbraw/zinc/95/43/90/571954390.db2.gz RAXFXRQMYLLOPW-WHFBIAKZSA-N 0 0 183.591 -0.039 10 5 ABBERN C[C@H](COCCO)[N+](=O)[O-] 687758270 571954486 /nfs/dbraw/zinc/95/44/86/571954486.db2.gz 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O=[N+]([O-])c1cn2c(n1)OC[C@H](CO)C2 115609706 572627628 /nfs/dbraw/zinc/62/76/28/572627628.db2.gz BVCKGSZYCHGJLB-YFKPBYRVSA-N 0 0 199.166 -0.208 10 5 ABBERN O=[N+]([O-])c1cn2c(n1)OC[C@@H](CO)C2 115609704 572627891 /nfs/dbraw/zinc/62/78/91/572627891.db2.gz BVCKGSZYCHGJLB-RXMQYKEDSA-N 0 0 199.166 -0.208 10 5 ABBERN C[C@@H](C[N+](=O)[O-])OC(=O)[C@@H](C)O 308082038 572642566 /nfs/dbraw/zinc/64/25/66/572642566.db2.gz KDGGCSSNQNZFHA-CRCLSJGQSA-N 0 0 177.156 -0.424 10 5 ABBERN C[C@@H](C[N+](=O)[O-])OC(=O)[C@H](C)O 308082041 572642836 /nfs/dbraw/zinc/64/28/36/572642836.db2.gz KDGGCSSNQNZFHA-WHFBIAKZSA-N 0 0 177.156 -0.424 10 5 ABBERN C[C@H](C[N+](=O)[O-])OC(=O)[C@@H](C)O 308082039 572644621 /nfs/dbraw/zinc/64/46/21/572644621.db2.gz KDGGCSSNQNZFHA-RFZPGFLSSA-N 0 0 177.156 -0.424 10 5 ABBERN C[C@H](O)C(=O)O[C@H](C)C[N+](=O)[O-] 308082040 572644667 /nfs/dbraw/zinc/64/46/67/572644667.db2.gz KDGGCSSNQNZFHA-UHNVWZDZSA-N 0 0 177.156 -0.424 10 5 ABBERN CC(C)(C)OC(=O)[C@H](O)C[N+](=O)[O-] 116203428 572671219 /nfs/dbraw/zinc/67/12/19/572671219.db2.gz OPSCJPRSBDCGSJ-RXMQYKEDSA-N 0 0 191.183 -0.034 10 5 ABBERN CC(C)(C)OC(=O)[C@@H](O)C[N+](=O)[O-] 116203426 572670685 /nfs/dbraw/zinc/67/06/85/572670685.db2.gz OPSCJPRSBDCGSJ-YFKPBYRVSA-N 0 0 191.183 -0.034 10 5 ABBERN C[C@H]([C@H](O)CC(=O)[O-])[N+](C)(C)C 238422815 572702461 /nfs/dbraw/zinc/70/24/61/572702461.db2.gz KMFGSDONSGUIHC-RNFRBKRXSA-O 0 0 176.236 -0.083 10 5 ABBERN C[C@@H]([C@@H](O)CC(=O)[O-])[N+](C)(C)C 238429138 572702827 /nfs/dbraw/zinc/70/28/27/572702827.db2.gz KMFGSDONSGUIHC-BQBZGAKWSA-O 0 0 176.236 -0.083 10 5 ABBERN C[C@H](SCC[N+](=O)[O-])C(N)=O 307881074 572714734 /nfs/dbraw/zinc/71/47/34/572714734.db2.gz QQYZKQWOGQPNIN-BYPYZUCNSA-N 0 0 178.213 -0.130 10 5 ABBERN C[C@@H](SCC[N+](=O)[O-])C(N)=O 307881076 572716881 /nfs/dbraw/zinc/71/68/81/572716881.db2.gz QQYZKQWOGQPNIN-SCSAIBSYSA-N 0 0 178.213 -0.130 10 5 ABBERN C[N+](C)(C)CCC(=O)NCC(=O)[O-] 238484021 572738761 /nfs/dbraw/zinc/73/87/61/572738761.db2.gz RXAAPAYXNNZOCU-UHFFFAOYSA-O 0 0 189.235 -0.717 10 5 ABBERN C[C@H]([C@@H](O)CC(=O)[O-])[N+](C)(C)C 238478846 572739769 /nfs/dbraw/zinc/73/97/69/572739769.db2.gz KMFGSDONSGUIHC-RQJHMYQMSA-O 0 0 176.236 -0.083 10 5 ABBERN C[C@H](COC(=O)CO)[N+](=O)[O-] 307905328 572749093 /nfs/dbraw/zinc/74/90/93/572749093.db2.gz QWVOWZZQDYWTLJ-SCSAIBSYSA-N 0 0 163.129 -0.813 10 5 ABBERN C[C@@H](COC(=O)CO)[N+](=O)[O-] 307905327 572749339 /nfs/dbraw/zinc/74/93/39/572749339.db2.gz QWVOWZZQDYWTLJ-BYPYZUCNSA-N 0 0 163.129 -0.813 10 5 ABBERN CCOC(=O)C[C@H](O)[N+](=O)[O-] 117770120 572794516 /nfs/dbraw/zinc/79/45/16/572794516.db2.gz MKSKZQLKZFWIOT-BYPYZUCNSA-N 0 0 163.129 -0.465 10 5 ABBERN CCOC(=O)C[C@@H](O)[N+](=O)[O-] 117770118 572795986 /nfs/dbraw/zinc/79/59/86/572795986.db2.gz MKSKZQLKZFWIOT-SCSAIBSYSA-N 0 0 163.129 -0.465 10 5 ABBERN [NH3+][C@H](C[C@H]1C[C@H]1[N+](=O)[O-])C(=O)[O-] 257487347 572799713 /nfs/dbraw/zinc/79/97/13/572799713.db2.gz MTXZWQPKPBJVKF-VPENINKCSA-N 0 0 174.156 -0.546 10 5 ABBERN CC(C)[C@@H]([N+](=O)[O-])C1(O)C[NH2+]C1 713760870 572822631 /nfs/dbraw/zinc/82/26/31/572822631.db2.gz RNVLXMCMZMXIMW-ZCFIWIBFSA-N 0 0 174.200 -0.378 10 5 ABBERN CC(C)CN(CC(N)=O)C[N+](=O)[O-] 308144454 572823986 /nfs/dbraw/zinc/82/39/86/572823986.db2.gz KTVMVSZAFWWOAO-UHFFFAOYSA-N 0 0 189.215 -0.336 10 5 ABBERN CC(C)[C@H]([N+](=O)[O-])C1(O)C[NH2+]C1 713760862 572824616 /nfs/dbraw/zinc/82/46/16/572824616.db2.gz RNVLXMCMZMXIMW-LURJTMIESA-N 0 0 174.200 -0.378 10 5 ABBERN CONCCn1ccc([N+](=O)[O-])n1 308145779 572854749 /nfs/dbraw/zinc/85/47/49/572854749.db2.gz AARQRQPGVBMSAC-UHFFFAOYSA-N 0 0 186.171 -0.058 10 5 ABBERN CC(C)N(CC(N)=O)C[N+](=O)[O-] 307965473 572867539 /nfs/dbraw/zinc/86/75/39/572867539.db2.gz QMMJWSGLVQKKIG-UHFFFAOYSA-N 0 0 175.188 -0.584 10 5 ABBERN CC(=O)COC(=O)[C@H]1C[C@@H]1[N+](=O)[O-] 308166994 572885526 /nfs/dbraw/zinc/88/55/26/572885526.db2.gz XXELSJVLRDYHCR-WDSKDSINSA-N 0 0 187.151 -0.216 10 5 ABBERN CC(=O)COC(=O)[C@H]1C[C@H]1[N+](=O)[O-] 308166991 572885851 /nfs/dbraw/zinc/88/58/51/572885851.db2.gz XXELSJVLRDYHCR-NTSWFWBYSA-N 0 0 187.151 -0.216 10 5 ABBERN CN(CCS(C)(=O)=O)C[N+](=O)[O-] 307968870 572885871 /nfs/dbraw/zinc/88/58/71/572885871.db2.gz FMXPFCAGPQFPGI-UHFFFAOYSA-N 0 0 196.228 -0.803 10 5 ABBERN CC(=O)COC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] 308166993 572887229 /nfs/dbraw/zinc/88/72/29/572887229.db2.gz XXELSJVLRDYHCR-RITPCOANSA-N 0 0 187.151 -0.216 10 5 ABBERN CC(=O)COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 308166992 572887435 /nfs/dbraw/zinc/88/74/35/572887435.db2.gz XXELSJVLRDYHCR-PHDIDXHHSA-N 0 0 187.151 -0.216 10 5 ABBERN Cn1ncc([N+](=O)[O-])c1C(N)=S 75851967 572900747 /nfs/dbraw/zinc/90/07/47/572900747.db2.gz AJXJFQKYKDKTFX-UHFFFAOYSA-N 0 0 186.196 -0.038 10 5 ABBERN CC(=O)NCCn1cnc([N+](=O)[O-])c1 238092543 572929352 /nfs/dbraw/zinc/92/93/52/572929352.db2.gz BMOCLOQNPTWCBR-UHFFFAOYSA-N 0 0 198.182 -0.073 10 5 ABBERN CC[C@@](C)([C@H]([NH3+])C(=O)[O-])[N+](=O)[O-] 713799265 572963657 /nfs/dbraw/zinc/96/36/57/572963657.db2.gz JNXQANJTLKWMIW-XINAWCOVSA-N 0 0 176.172 -0.156 10 5 ABBERN O=[N+]([O-])CO 59426654 572970829 /nfs/dbraw/zinc/97/08/29/572970829.db2.gz GBAPRSGLWUEXIR-UHFFFAOYSA-N 0 0 77.039 -0.787 10 5 ABBERN CC(CCO)([N+](=O)[O-])[N+](=O)[O-] 196225226 572986071 /nfs/dbraw/zinc/98/60/71/572986071.db2.gz AXVRCGWFOUAEDC-UHFFFAOYSA-N 0 0 164.117 -0.362 10 5 ABBERN Cn1cc([N+](=O)[O-])c(N)cc1=O 257917750 572997541 /nfs/dbraw/zinc/99/75/41/572997541.db2.gz BUFIPXSBKDIVDB-UHFFFAOYSA-N 0 0 169.140 -0.124 10 5 ABBERN CN(C[N+](=O)[O-])CC(C)(CO)CO 308218429 573000576 /nfs/dbraw/zinc/00/05/76/573000576.db2.gz BEZJPEVKKFSOHA-UHFFFAOYSA-N 0 0 192.215 -0.857 10 5 ABBERN NNc1ccc2ncc([N+](=O)[O-])n2n1 104552915 573007547 /nfs/dbraw/zinc/00/75/47/573007547.db2.gz MGAINEGQQNAHLG-UHFFFAOYSA-N 0 0 194.154 -0.077 10 5 ABBERN CNC(=C[N+](=O)[O-])N(C)C 211922162 573037239 /nfs/dbraw/zinc/03/72/39/573037239.db2.gz CSGOKARRUMSGGI-PLNGDYQASA-N 0 0 145.162 -0.157 10 5 ABBERN CNC(N)=C[N+](=O)[O-] 104586488 573037334 /nfs/dbraw/zinc/03/73/34/573037334.db2.gz NESLOYMMIUOLMU-NSCUHMNNSA-N 0 0 117.108 -0.760 10 5 ABBERN CCNC(=O)CN(CC)C[N+](=O)[O-] 308248210 573048663 /nfs/dbraw/zinc/04/86/63/573048663.db2.gz YZSNTLKIQCMIMC-UHFFFAOYSA-N 0 0 189.215 -0.321 10 5 ABBERN CCc1c([N+](=O)[O-])c(C(N)=O)nn1C 143913853 573050328 /nfs/dbraw/zinc/05/03/28/573050328.db2.gz DYVHEQJLJMGEOF-UHFFFAOYSA-N 0 0 198.182 -0.010 10 5 ABBERN CONCc1ncc([N+](=O)[O-])n1C 308249774 573050602 /nfs/dbraw/zinc/05/06/02/573050602.db2.gz ASTOPQDSJIKTPK-UHFFFAOYSA-N 0 0 186.171 -0.021 10 5 ABBERN COc1cc([N+](=O)[O-])c(N)n[n+]1[O-] 224807401 573065163 /nfs/dbraw/zinc/06/51/63/573065163.db2.gz DRYVVPDMURAZMZ-UHFFFAOYSA-N 0 0 186.127 -0.786 10 5 ABBERN CN(CCO)C(=O)[C@H]1C[C@H]1[N+](=O)[O-] 308253050 573083050 /nfs/dbraw/zinc/08/30/50/573083050.db2.gz GYVLOEZICQGQBT-NTSWFWBYSA-N 0 0 188.183 -0.898 10 5 ABBERN CN(CCO)C(=O)[C@H]1C[C@@H]1[N+](=O)[O-] 308253053 573084441 /nfs/dbraw/zinc/08/44/41/573084441.db2.gz GYVLOEZICQGQBT-WDSKDSINSA-N 0 0 188.183 -0.898 10 5 ABBERN CN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 308253051 573084648 /nfs/dbraw/zinc/08/46/48/573084648.db2.gz GYVLOEZICQGQBT-PHDIDXHHSA-N 0 0 188.183 -0.898 10 5 ABBERN C[C@H](O)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 308257265 573101439 /nfs/dbraw/zinc/10/14/39/573101439.db2.gz LJSKMJHSACTMCR-KVQBGUIXSA-N 0 0 188.183 -0.851 10 5 ABBERN C[C@H](O)CNC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] 308257264 573105063 /nfs/dbraw/zinc/10/50/63/573105063.db2.gz LJSKMJHSACTMCR-JKUQZMGJSA-N 0 0 188.183 -0.851 10 5 ABBERN O=[N+]([O-])C[C@H]1CCCS1(=O)=O 257956495 573138345 /nfs/dbraw/zinc/13/83/45/573138345.db2.gz WXSUHFYMZLASNK-RXMQYKEDSA-N 0 0 179.197 -0.160 10 5 ABBERN O=[N+]([O-])C[C@@H]1CCCS1(=O)=O 257956496 573138697 /nfs/dbraw/zinc/13/86/97/573138697.db2.gz WXSUHFYMZLASNK-YFKPBYRVSA-N 0 0 179.197 -0.160 10 5 ABBERN NC(=O)CCNc1n[nH]cc1[N+](=O)[O-] 308503164 573142929 /nfs/dbraw/zinc/14/29/29/573142929.db2.gz BHRZUAKUVYISTA-UHFFFAOYSA-N 0 0 199.170 -0.395 10 5 ABBERN O=C1NCCn2ncc([N+](=O)[O-])c21 686127554 573162639 /nfs/dbraw/zinc/16/26/39/573162639.db2.gz BTZAPSTYKXEPGA-UHFFFAOYSA-N 0 0 182.139 -0.465 10 5 ABBERN CCCCOC(=O)[C@@H](O)C[N+](=O)[O-] 225783646 573187628 /nfs/dbraw/zinc/18/76/28/573187628.db2.gz OWUZYKQFGBJKEN-LURJTMIESA-N 0 0 191.183 -0.033 10 5 ABBERN C[C@@H]([C@H](O)CC(=O)[O-])[N+](C)(C)C 238434803 573282512 /nfs/dbraw/zinc/28/25/12/573282512.db2.gz KMFGSDONSGUIHC-NKWVEPMBSA-O 0 0 176.236 -0.083 10 5 ABBERN C[C@H](CO)OC(=O)[C@H]1C[C@@H]1[N+](=O)[O-] 308345571 573335229 /nfs/dbraw/zinc/33/52/29/573335229.db2.gz UXPMITQTIJTBHM-SRQIZXRXSA-N 0 0 189.167 -0.424 10 5 ABBERN C[C@H](CO)OC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] 308345570 573335306 /nfs/dbraw/zinc/33/53/06/573335306.db2.gz UXPMITQTIJTBHM-PBXRRBTRSA-N 0 0 189.167 -0.424 10 5 ABBERN C[C@H](CO)OC(=O)[C@H]1C[C@H]1[N+](=O)[O-] 308345569 573335692 /nfs/dbraw/zinc/33/56/92/573335692.db2.gz UXPMITQTIJTBHM-NGJCXOISSA-N 0 0 189.167 -0.424 10 5 ABBERN COC(=O)CC[C@@H](O)C[N+](=O)[O-] 215169935 573351125 /nfs/dbraw/zinc/35/11/25/573351125.db2.gz NMEORVYDCOTDFO-RXMQYKEDSA-N 0 0 177.156 -0.423 10 5 ABBERN CCCCN(CC(N)=O)C[N+](=O)[O-] 308357319 573351151 /nfs/dbraw/zinc/35/11/51/573351151.db2.gz LBHWMFSPBYJZII-UHFFFAOYSA-N 0 0 189.215 -0.192 10 5 ABBERN C[C@@H](O)CNC(=O)[C@H]1C[C@@H]1[N+](=O)[O-] 308372188 573387260 /nfs/dbraw/zinc/38/72/60/573387260.db2.gz LJSKMJHSACTMCR-SRQIZXRXSA-N 0 0 188.183 -0.851 10 5 ABBERN C[C@@H](O)CNC(=O)[C@H]1C[C@H]1[N+](=O)[O-] 308372184 573387757 /nfs/dbraw/zinc/38/77/57/573387757.db2.gz LJSKMJHSACTMCR-NGJCXOISSA-N 0 0 188.183 -0.851 10 5 ABBERN CONCCn1cc([N+](=O)[O-])cn1 308388579 573415400 /nfs/dbraw/zinc/41/54/00/573415400.db2.gz YKTULBILAMDMQK-UHFFFAOYSA-N 0 0 186.171 -0.058 10 5 ABBERN CNCc1noc([C@H]2CC2[N+](=O)[O-])n1 308868851 573520685 /nfs/dbraw/zinc/52/06/85/573520685.db2.gz IAADXROBSUBIGM-WHFBIAKZSA-N 0 0 198.182 -0.078 10 5 ABBERN CNCc1noc([C@@H]2CC2[N+](=O)[O-])n1 308868847 573523193 /nfs/dbraw/zinc/52/31/93/573523193.db2.gz IAADXROBSUBIGM-RFZPGFLSSA-N 0 0 198.182 -0.078 10 5 ABBERN O=[N+]([O-])C1N=CC=N1 145181764 573558742 /nfs/dbraw/zinc/55/87/42/573558742.db2.gz BWJISZYCEFPTHO-UHFFFAOYSA-N 0 0 113.076 -0.298 10 5 ABBERN O=C(OC1COC1)[C@H]1C[C@@H]1[N+](=O)[O-] 308403328 573581584 /nfs/dbraw/zinc/58/15/84/573581584.db2.gz JWSGXEVCZGTXBT-WDSKDSINSA-N 0 0 187.151 -0.406 10 5 ABBERN O=C(OC1COC1)[C@@H]1C[C@@H]1[N+](=O)[O-] 308403327 573584506 /nfs/dbraw/zinc/58/45/06/573584506.db2.gz JWSGXEVCZGTXBT-RITPCOANSA-N 0 0 187.151 -0.406 10 5 ABBERN O=C(OC1COC1)[C@@H]1C[C@H]1[N+](=O)[O-] 308403326 573584653 /nfs/dbraw/zinc/58/46/53/573584653.db2.gz JWSGXEVCZGTXBT-PHDIDXHHSA-N 0 0 187.151 -0.406 10 5 ABBERN O=C(OC1COC1)[C@H]1C[C@H]1[N+](=O)[O-] 308403325 573584770 /nfs/dbraw/zinc/58/47/70/573584770.db2.gz JWSGXEVCZGTXBT-NTSWFWBYSA-N 0 0 187.151 -0.406 10 5 ABBERN O=[N+]([O-])C[C@H](O)c1cnccn1 142727802 573607612 /nfs/dbraw/zinc/60/76/12/573607612.db2.gz CCUYSERSKMXCDK-LURJTMIESA-N 0 0 169.140 -0.213 10 5 ABBERN C[N+]1(C)N=C(N)S[C@H]1CC(=O)[O-] 238488218 573729907 /nfs/dbraw/zinc/72/99/07/573729907.db2.gz UXBTXJGIWMISEV-BYPYZUCNSA-O 0 0 190.248 -0.160 10 5 ABBERN COC(=O)Cn1cnnc1[N+](=O)[O-] 308427832 573740862 /nfs/dbraw/zinc/74/08/62/573740862.db2.gz RYMQDHOYJFJYBI-UHFFFAOYSA-N 0 0 186.127 -0.641 10 5 ABBERN O=c1[nH][n+]([O-])cc2ccc([N+](=O)[O-])n12 72232821 573812636 /nfs/dbraw/zinc/81/26/36/573812636.db2.gz QJZHGTPEWBEEQF-UHFFFAOYSA-N 0 0 196.122 -0.831 10 5 ABBERN