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/nfs/dbraw/zinc/15/48/52/169154852.db2.gz LJRBNLVYGIXJBR-SNVBAGLBSA-N -1 0 165.170 -1.695 10 0 AAAERM NC(=O)Cn1[n-]c(=O)ccc1=O 5286154 169154899 /nfs/dbraw/zinc/15/48/99/169154899.db2.gz COKHJJAZLQRIIX-UHFFFAOYSA-N -1 0 169.140 -1.978 10 0 AAAERM NC(=O)C[C@H](NO)C(=O)[O-] 2539705 169155281 /nfs/dbraw/zinc/15/52/81/169155281.db2.gz KGWIPRBCZYRDNO-REOHCLBHSA-N -1 0 148.118 -1.706 10 0 AAAERM NC(=O)Cn1nc(C(=O)[O-])ccc1=O 163543973 169155371 /nfs/dbraw/zinc/15/53/71/169155371.db2.gz AYZNXDCCEBZYKX-UHFFFAOYSA-N -1 0 197.150 -1.573 10 0 AAAERM NC(=O)Cn1nn[n-]c1=S 20587565 169155477 /nfs/dbraw/zinc/15/54/77/169155477.db2.gz RWVPFRSKYWPNIT-UHFFFAOYSA-N -1 0 159.174 -1.553 10 0 AAAERM NC(=O)C[C@H](O)C(=O)[O-] 5131747 169155576 /nfs/dbraw/zinc/15/55/76/169155576.db2.gz RTTYFXMXRFYCHM-REOHCLBHSA-N -1 0 133.103 -1.693 10 0 in-vitro AAAERM NC(=O)NC(=O)C(=O)CC(=O)[O-] 105590076 169156015 /nfs/dbraw/zinc/15/60/15/169156015.db2.gz MSDZTULMDDNHIJ-UPHRSURJSA-N -1 0 174.112 -1.292 10 0 AAAERM NC(=O)N1CCC[C@@]1(O)C(=O)[O-] 75564126 169156085 /nfs/dbraw/zinc/15/60/85/169156085.db2.gz UYEVNFPHORVCON-ZCFIWIBFSA-N -1 0 174.156 -1.066 10 0 AAAERM NC(=O)N1C(=O)[N-]C(=O)C1=O 39065144 169156308 /nfs/dbraw/zinc/15/63/08/169156308.db2.gz VAZRGWMLIVQVPH-UHFFFAOYSA-N -1 0 157.085 -1.016 10 0 AAAERM NC(=O)NC(=O)COCC(=O)[O-] 41044838 169156773 /nfs/dbraw/zinc/15/67/73/169156773.db2.gz AGAGJAJMNSXTKN-UHFFFAOYSA-N -1 0 176.128 -1.718 10 0 AAAERM NC(=O)N1CCC[C@]1(O)C(=O)[O-] 75564120 169156933 /nfs/dbraw/zinc/15/69/33/169156933.db2.gz UYEVNFPHORVCON-LURJTMIESA-N -1 0 174.156 -1.066 10 0 AAAERM NC(=O)NC(=O)CC(=O)[O-] 30729462 169157009 /nfs/dbraw/zinc/15/70/09/169157009.db2.gz UCUUMUFWVSUBOL-UHFFFAOYSA-N -1 0 146.102 -1.344 10 0 in-vitro AAAERM NC(=O)N[C@@H](CCO)C(=O)[O-] 40699153 169157450 /nfs/dbraw/zinc/15/74/50/169157450.db2.gz ZPKLHZSTXKNUST-VKHMYHEASA-N -1 0 162.145 -1.510 10 0 AAAERM NC(=O)N[C@@H]1CO[N-]C1=O 33986444 169158202 /nfs/dbraw/zinc/15/82/02/169158202.db2.gz JWDWANYTYNRWOR-UWTATZPHSA-N -1 0 145.118 -1.915 10 0 AAAERM NC(=O)N[C@H](CCO)C(=O)[O-] 39058322 169158622 /nfs/dbraw/zinc/15/86/22/169158622.db2.gz ZPKLHZSTXKNUST-GSVOUGTGSA-N -1 0 162.145 -1.510 10 0 AAAERM NC(=O)[C@@H](F)[C@H](N)C(=O)[O-] 1568479 169160003 /nfs/dbraw/zinc/16/00/03/169160003.db2.gz WCDMRIWUCBOWJP-LWMBPPNESA-N -1 0 150.109 -1.778 10 0 AAAERM NC(=O)[C@@H](O)C(=O)[O-] 14506985 169160132 /nfs/dbraw/zinc/16/01/32/169160132.db2.gz PGMCNXYKUCFNTA-PVQJCKRUSA-N -1 0 119.076 -2.083 10 0 AAAERM NC(=O)S(=O)(=O)[O-] 59815837 169160202 /nfs/dbraw/zinc/16/02/02/169160202.db2.gz BEXMOORQHNTVJZ-UHFFFAOYSA-N -1 0 125.105 -1.047 10 0 AAAERM NC(=O)[C@@H](F)[C@@H](N)C(=O)[O-] 1568477 169160246 /nfs/dbraw/zinc/16/02/46/169160246.db2.gz WCDMRIWUCBOWJP-NHYDCYSISA-N -1 0 150.109 -1.778 10 0 AAAERM NC(=O)[C@@H]1O[C@H]1C(=O)[O-] 14618973 169160605 /nfs/dbraw/zinc/16/06/05/169160605.db2.gz FCFUXIZBMYCYHI-JCYAYHJZSA-N -1 0 131.087 -1.676 10 0 AAAERM NC(=O)[C@@H]1O[N-]C(=O)[C@H]1N 5372009 169160712 /nfs/dbraw/zinc/16/07/12/169160712.db2.gz GDJHRXTXBJAERL-NHYDCYSISA-N -1 0 145.118 -2.771 10 0 AAAERM NC(=O)[C@@H]1N=CO[C@H]1C(=O)[O-] 75543309 169161008 /nfs/dbraw/zinc/16/10/08/169161008.db2.gz WZKZIPJDCJIUEM-PWNYCUMCSA-N -1 0 158.113 -1.648 10 0 AAAERM NC(=O)[C@@H]1N=CO[C@@H]1C(=O)[O-] 75543311 169161529 /nfs/dbraw/zinc/16/15/29/169161529.db2.gz WZKZIPJDCJIUEM-GBXIJSLDSA-N -1 0 158.113 -1.648 10 0 AAAERM NC(=O)[C@@H]1O[C@@H]1C(=O)[O-] 14618971 169161633 /nfs/dbraw/zinc/16/16/33/169161633.db2.gz FCFUXIZBMYCYHI-NCGGTJAESA-N -1 0 131.087 -1.676 10 0 AAAERM NC(=O)[C@@H]1NC(=O)C(=O)N=C1[O-] 100050233 169161715 /nfs/dbraw/zinc/16/17/15/169161715.db2.gz VFTXVLPVYYVSBU-SFOWXEAESA-N -1 0 171.112 -3.387 10 0 AAAERM NC(=O)[C@H](F)[C@H](N)C(=O)[O-] 1568478 169162585 /nfs/dbraw/zinc/16/25/85/169162585.db2.gz WCDMRIWUCBOWJP-NCGGTJAESA-N -1 0 150.109 -1.778 10 0 AAAERM NC(=O)[C@H](F)[C@@H](N)C(=O)[O-] 1568476 169162715 /nfs/dbraw/zinc/16/27/15/169162715.db2.gz WCDMRIWUCBOWJP-JCYAYHJZSA-N -1 0 150.109 -1.778 10 0 AAAERM NC(=O)[C@H](O)C(=O)[O-] 14506988 169162791 /nfs/dbraw/zinc/16/27/91/169162791.db2.gz PGMCNXYKUCFNTA-SFOWXEAESA-N -1 0 119.076 -2.083 10 0 AAAERM NC(=O)[C@H](F)C(=O)[O-] 1615139 169162916 /nfs/dbraw/zinc/16/29/16/169162916.db2.gz IIXDPGZGZZJNRW-SFOWXEAESA-N -1 0 121.067 -1.106 10 0 AAAERM NC(=O)[C@H]1O[N-]C(=O)[C@H]1N 5372007 169163485 /nfs/dbraw/zinc/16/34/85/169163485.db2.gz GDJHRXTXBJAERL-LWMBPPNESA-N -1 0 145.118 -2.771 10 0 AAAERM NC(=O)[C@H]1O[C@@H]1C(=O)[O-] 14618972 169163517 /nfs/dbraw/zinc/16/35/17/169163517.db2.gz FCFUXIZBMYCYHI-LWMBPPNESA-N -1 0 131.087 -1.676 10 0 AAAERM NC(=O)c1cc(=O)cc(C(N)=O)[n-]1 5286128 169163880 /nfs/dbraw/zinc/16/38/80/169163880.db2.gz QKCGAWSUGJIUTB-UHFFFAOYSA-N -1 0 181.151 -1.427 10 0 AAAERM NC(=O)[C@H]1N=CO[C@H]1C(=O)[O-] 75543307 169163908 /nfs/dbraw/zinc/16/39/08/169163908.db2.gz WZKZIPJDCJIUEM-STHAYSLISA-N -1 0 158.113 -1.648 10 0 AAAERM NC(=O)[C@H]1NC(=O)C(=O)N=C1[O-] 100050230 169164370 /nfs/dbraw/zinc/16/43/70/169164370.db2.gz VFTXVLPVYYVSBU-PVQJCKRUSA-N -1 0 171.112 -3.387 10 0 AAAERM NC(=O)[C@H]1N=CO[C@@H]1C(=O)[O-] 39065306 169164427 /nfs/dbraw/zinc/16/44/27/169164427.db2.gz WZKZIPJDCJIUEM-HRFVKAFMSA-N -1 0 158.113 -1.648 10 0 AAAERM NC(=O)[C@H]1O[C@H]1C(=O)[O-] 14618974 169164454 /nfs/dbraw/zinc/16/44/54/169164454.db2.gz FCFUXIZBMYCYHI-NHYDCYSISA-N -1 0 131.087 -1.676 10 0 AAAERM NC(=O)c1n[nH]nc1C(=O)[O-] 201348883 169165467 /nfs/dbraw/zinc/16/54/67/169165467.db2.gz ZVXDDRXSNVZAEO-UHFFFAOYSA-N -1 0 156.101 -1.398 10 0 AAAERM NC(=S)[C@@H](O)[C@H](O)C(=O)[O-] 83339782 169166197 /nfs/dbraw/zinc/16/61/97/169166197.db2.gz OGHQWOFIWSFRJB-LWMBPPNESA-N -1 0 165.170 -1.921 10 0 AAAERM NC(=S)c1[nH]c(=O)[n-]c(=O)c1F 83341419 169166676 /nfs/dbraw/zinc/16/66/76/169166676.db2.gz IFQJWQMUIUMSBF-UHFFFAOYSA-N -1 0 189.171 -1.164 10 0 AAAERM NC1(C(=O)[O-])OCCO1 39083007 169169605 /nfs/dbraw/zinc/16/96/05/169169605.db2.gz PAVMKVSUENDXOG-UHFFFAOYSA-N -1 0 133.103 -1.270 10 0 AAAERM Nc1[nH][nH]c(=O)c1CCC(=O)[O-] 101719669 169170666 /nfs/dbraw/zinc/17/06/66/169170666.db2.gz LXRPVAADJCYWHV-VKHMYHEASA-N -1 0 171.156 -1.131 10 0 AAAERM NC1=NC2N=NC(N)=C2N=C1C(=O)[O-] 39083959 169170766 /nfs/dbraw/zinc/17/07/66/169170766.db2.gz FAGSRMIMPYVULT-SFOWXEAESA-N -1 0 194.154 -2.064 10 0 AAAERM NC1=CC(=O)[N-]S(=O)(=O)N1 39223614 169170925 /nfs/dbraw/zinc/17/09/25/169170925.db2.gz USBVWFJNCAPPKV-UHFFFAOYSA-N -1 0 163.158 -1.051 10 0 AAAERM N=C1NS(=O)(=O)[N-]c2[nH]ncc21 145596859 169171109 /nfs/dbraw/zinc/17/11/09/169171109.db2.gz YQWJWRZPYNRQEQ-UHFFFAOYSA-N -1 0 187.184 -2.008 10 0 AAAERM NC1=NS(=O)(=O)[N-]c2[nH]cnc21 5983598 169171412 /nfs/dbraw/zinc/17/14/12/169171412.db2.gz XHUJLOYABCEGKW-UHFFFAOYSA-N -1 0 187.184 -1.215 10 0 AAAERM Nc1[nH][nH]c(=O)c1CCC(=O)[O-] 101719666 169171413 /nfs/dbraw/zinc/17/14/13/169171413.db2.gz LXRPVAADJCYWHV-GSVOUGTGSA-N -1 0 171.156 -1.131 10 0 AAAERM NC1=c2[n-]nnc2=NS(=O)(=O)N1 38223214 169171453 /nfs/dbraw/zinc/17/14/53/169171453.db2.gz VDCBPWDUSIMYNI-UHFFFAOYSA-N -1 0 188.172 -2.536 10 0 AAAERM NC1=NC2N=NC(N)=C2N=C1C(=O)[O-] 100234191 169171465 /nfs/dbraw/zinc/17/14/65/169171465.db2.gz FAGSRMIMPYVULT-PVQJCKRUSA-N -1 0 194.154 -2.064 10 0 AAAERM NC1=NS(=O)(=O)c2[n-]cnc2N1 39250257 169171524 /nfs/dbraw/zinc/17/15/24/169171524.db2.gz ZEKWJEBMKRRVGE-UHFFFAOYSA-N -1 0 187.184 -1.161 10 0 AAAERM NC1=N[C@@H](S(=O)(=O)[O-])C=N1 100318378 169172332 /nfs/dbraw/zinc/17/23/32/169172332.db2.gz ABLRTEHCTHXALM-REOHCLBHSA-N -1 0 163.158 -1.401 10 0 AAAERM [NH3+]CCC[C@H](C(=O)[O-])[C@@H](O)C(=O)[O-] 28645221 169185181 /nfs/dbraw/zinc/18/51/81/169185181.db2.gz HOIVOWQIWSVPGC-CRCLSJGQSA-N -1 0 191.183 -1.128 10 0 AAAERM NCC[NH2+][C@@H](CC(=O)[O-])C(=O)[O-] 98090064 169189273 /nfs/dbraw/zinc/18/92/73/169189273.db2.gz PDDUTYPDHMQVSU-BYPYZUCNSA-N -1 0 176.172 -1.537 10 0 AAAERM NCC[NH2+][C@H](CC(=O)[O-])C(=O)[O-] 98090065 169190832 /nfs/dbraw/zinc/19/08/32/169190832.db2.gz PDDUTYPDHMQVSU-SCSAIBSYSA-N -1 0 176.172 -1.537 10 0 AAAERM [NH3+]CCNP(=O)([O-])[O-] 38325076 169191045 /nfs/dbraw/zinc/19/10/45/169191045.db2.gz BPOSFUDIAFBBBJ-UHFFFAOYSA-N -1 0 140.079 -1.373 10 0 AAAERM [NH3+]C[C@@H](C(=O)[O-])S(=O)(=O)[O-] 88187423 169201312 /nfs/dbraw/zinc/20/13/12/169201312.db2.gz OFQOAYWZEYNFQC-REOHCLBHSA-N -1 0 169.158 -1.714 10 0 AAAERM [NH3+]C[C@@H](NC(=O)C(=O)[O-])C(=O)[O-] 5131905 169203620 /nfs/dbraw/zinc/20/36/20/169203620.db2.gz FNXJKVNOUQAQMB-UWTATZPHSA-N -1 0 176.128 -2.401 10 0 endogenous,in-man AAAERM [NH3+]C[C@H](C(=O)[O-])S(=O)(=O)[O-] 88187425 169211166 /nfs/dbraw/zinc/21/11/66/169211166.db2.gz OFQOAYWZEYNFQC-UWTATZPHSA-N -1 0 169.158 -1.714 10 0 AAAERM [NH3+]C[C@H](NC(=O)C(=O)[O-])C(=O)[O-] 5131743 169213211 /nfs/dbraw/zinc/21/32/11/169213211.db2.gz FNXJKVNOUQAQMB-REOHCLBHSA-N -1 0 176.128 -2.401 10 0 endogenous,in-man AAAERM NCc1n[n-]c2nccc(=O)n12 105865121 169228980 /nfs/dbraw/zinc/22/89/80/169228980.db2.gz MJUVUIHZDTZEDO-UHFFFAOYSA-N -1 0 165.156 -1.124 10 0 AAAERM NCc1nn2c(=O)ccnc2[n-]1 105865119 169231882 /nfs/dbraw/zinc/23/18/82/169231882.db2.gz CKWZMZZEAXBKEW-UHFFFAOYSA-N -1 0 165.156 -1.124 10 0 AAAERM NCc1nnc([C@H](O)C(=O)[O-])o1 83340147 169232570 /nfs/dbraw/zinc/23/25/70/169232570.db2.gz IZOZXJKCMBSSQA-VKHMYHEASA-N -1 0 173.128 -1.354 10 0 AAAERM Nn1c([O-])cc(=O)[nH]c1=O 105577565 169233105 /nfs/dbraw/zinc/23/31/05/169233105.db2.gz BBFYCVVJYIJGIJ-UHFFFAOYSA-N -1 0 143.102 -1.671 10 0 AAAERM NCc1nnc([C@@H](O)C(=O)[O-])o1 83340148 169233128 /nfs/dbraw/zinc/23/31/28/169233128.db2.gz IZOZXJKCMBSSQA-GSVOUGTGSA-N -1 0 173.128 -1.354 10 0 AAAERM NN1CCN(C(=O)C(=O)[O-])CC1 71496721 169234077 /nfs/dbraw/zinc/23/40/77/169234077.db2.gz KIDGERYOKGOWIM-UHFFFAOYSA-N -1 0 173.172 -1.911 10 0 AAAERM NN1C[C@@]([NH3+])(C(=O)[O-])C[C@@H]1C(=O)[O-] 26578760 169234295 /nfs/dbraw/zinc/23/42/95/169234295.db2.gz MJUZIVFENBZUFH-AWFVSMACSA-N -1 0 189.171 -2.199 10 0 AAAERM NN[C@@H]1C[C@H]1C(=O)[O-] 19172818 169237300 /nfs/dbraw/zinc/23/73/00/169237300.db2.gz ICXCBLNGRQALIO-PWNYCUMCSA-N -1 0 116.120 -1.077 10 0 AAAERM NN[C@H]1C[C@@H]1C(=O)[O-] 19172815 169237321 /nfs/dbraw/zinc/23/73/21/169237321.db2.gz ICXCBLNGRQALIO-HRFVKAFMSA-N -1 0 116.120 -1.077 10 0 AAAERM NNc1[nH]c(=O)nc2[n-]ncc12 89222269 169237322 /nfs/dbraw/zinc/23/73/22/169237322.db2.gz NGZMAJQMSLIMPM-UHFFFAOYSA-N -1 0 166.144 -1.068 10 0 AAAERM NN[C@](N)(Cc1c[nH]cn1)C(=O)[O-] 19170068 169237343 /nfs/dbraw/zinc/23/73/43/169237343.db2.gz WKIGVYWGXYLOTK-ZCFIWIBFSA-N -1 0 185.187 -1.845 10 0 AAAERM NN[C@@H]1C[C@@H]1C(=O)[O-] 19172813 169237387 /nfs/dbraw/zinc/23/73/87/169237387.db2.gz ICXCBLNGRQALIO-STHAYSLISA-N -1 0 116.120 -1.077 10 0 AAAERM NNc1c(C(=O)[O-])[nH]c(=O)[nH]c1=O 26506400 169237576 /nfs/dbraw/zinc/23/75/76/169237576.db2.gz IMHXPNKLBFHKET-UHFFFAOYSA-N -1 0 186.127 -1.953 10 0 AAAERM NN[C@@H](Cc1c[nH]cn1)C(=O)[O-] 19168821 169237713 /nfs/dbraw/zinc/23/77/13/169237713.db2.gz OTXNLKCKMZUQKX-YFKPBYRVSA-N -1 0 170.172 -1.131 10 0 AAAERM NNc1cc(CC(=O)[O-])c(=O)[nH]n1 39207667 169237869 /nfs/dbraw/zinc/23/78/69/169237869.db2.gz BCJDODGBZANSKH-UHFFFAOYSA-N -1 0 184.155 -1.317 10 0 AAAERM NNc1cc(=O)[nH][n-]c1=O 75528354 169237950 /nfs/dbraw/zinc/23/79/50/169237950.db2.gz YXHFIQGWKAKEKY-UHFFFAOYSA-N -1 0 142.118 -1.651 10 0 AAAERM NN[C@H]1C[C@H]1C(=O)[O-] 19172820 169238062 /nfs/dbraw/zinc/23/80/62/169238062.db2.gz ICXCBLNGRQALIO-GBXIJSLDSA-N -1 0 116.120 -1.077 10 0 AAAERM NNc1nc2nncc-2c(NN)[n-]1 39017730 169238409 /nfs/dbraw/zinc/23/84/09/169238409.db2.gz XDGSNFLECHXLQP-UHFFFAOYSA-N -1 0 180.175 -1.076 10 0 AAAERM NNc1n[n-]c(N)nc1=O 39238558 169238726 /nfs/dbraw/zinc/23/87/26/169238726.db2.gz WWGNAOPWQJPSBZ-UHFFFAOYSA-N -1 0 142.122 -1.967 10 0 AAAERM NNc1nc2ncnc-2c(NN)[n-]1 16892817 169239053 /nfs/dbraw/zinc/23/90/53/169239053.db2.gz VRLDULPVKJSIRN-UHFFFAOYSA-N -1 0 180.175 -1.076 10 0 AAAERM NNc1[n-]c(N)nc2nnc(N)c1-2 39017731 169239066 /nfs/dbraw/zinc/23/90/66/169239066.db2.gz YLSMHRGSCKRIOL-UHFFFAOYSA-N -1 0 180.175 -1.197 10 0 AAAERM NN=c1nncn[n-]1 39167958 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10 0 AAAERM [NH3+][C@@]1(C(=O)[O-])C[C@H]1C[P@@](=O)([O-])O 28246012 169261366 /nfs/dbraw/zinc/26/13/66/169261366.db2.gz RACNCOSUCJNQDH-UCORVYFPSA-N -1 0 195.111 -1.034 10 0 AAAERM [NH3+][C@@]1(C(=O)[O-])CO[C@@H]2[C@H](C(=O)[O-])[C@@H]21 26579471 169261401 /nfs/dbraw/zinc/26/14/01/169261401.db2.gz YASVRZWVUGJELU-PEXRZSOISA-N -1 0 187.151 -1.502 10 0 in-vitro AAAERM [NH3+][C@H](C(=O)[O-])c1c(CO)o[n-]c1=O 13738676 169261716 /nfs/dbraw/zinc/26/17/16/169261716.db2.gz NWDORXFLFUEQIP-BYPYZUCNSA-N -1 0 188.139 -1.455 10 0 AAAERM [NH3+][C@H](C(=O)[O-])[C@H]1C[C@@H]1[P@@](=O)([O-])O 28565633 169261727 /nfs/dbraw/zinc/26/17/27/169261727.db2.gz KZOMBNQLBSHMFV-HZLVTQRSSA-N -1 0 195.111 -1.036 10 0 in-vivo AAAERM [NH3+][C@H](C(=O)[O-])[C@@H](CO)C(=O)[O-] 39136195 169261877 /nfs/dbraw/zinc/26/18/77/169261877.db2.gz VSSATYAPIIISEK-GBXIJSLDSA-N -1 0 163.129 -1.909 10 0 AAAERM [NH3+][C@H](C(=O)[O-])[C@H]1C[C@H]1S(=O)(=O)[O-] 28711356 169261890 /nfs/dbraw/zinc/26/18/90/169261890.db2.gz XFYDZMMMXYAZLT-NUNKFHFFSA-N -1 0 195.196 -1.325 10 0 AAAERM NC(C(=O)[O-])=C1CNc2ncccc21 238643560 169262040 /nfs/dbraw/zinc/26/20/40/169262040.db2.gz IBSFLVRTWNBPGZ-ZETCQYMHSA-N -1 0 191.190 -1.723 10 0 AAAERM [NH3+][C@H](C(=O)[O-])[C@@H]1[C@H](C(=O)[O-])[C@@H]1CO 28129449 169262141 /nfs/dbraw/zinc/26/21/41/169262141.db2.gz CQOQGFPPQJNODN-LECHCGJUSA-N -1 0 189.167 -1.663 10 0 AAAERM [NH3+][C@H](C(=O)[O-])[C@H]1[C@@H](CO)[C@@H]1C(=O)[O-] 3994777 169262259 /nfs/dbraw/zinc/26/22/59/169262259.db2.gz CQOQGFPPQJNODN-STGXQOJASA-N -1 0 189.167 -1.663 10 0 AAAERM [NH3+][C@H](C(=O)[O-])[C@H]1C[C@@H]1S(=O)(=O)[O-] 28711351 169262322 /nfs/dbraw/zinc/26/23/22/169262322.db2.gz XFYDZMMMXYAZLT-HZLVTQRSSA-N -1 0 195.196 -1.325 10 0 AAAERM [NH3+][C@H](C(=O)[O-])[C@@H]1C[C@H]1S(=O)(=O)[O-] 28711352 169262358 /nfs/dbraw/zinc/26/23/58/169262358.db2.gz XFYDZMMMXYAZLT-JJYYJPOSSA-N -1 0 195.196 -1.325 10 0 AAAERM [NH3+][C@H](C(=O)[O-])[C@@H]1C[C@H]1[P@@](=O)([O-])O 28565635 169262775 /nfs/dbraw/zinc/26/27/75/169262775.db2.gz KZOMBNQLBSHMFV-JJYYJPOSSA-N -1 0 195.111 -1.036 10 0 AAAERM [NH3+][C@H](C(=O)[O-])[C@H](CO)C(=O)[O-] 39136194 169262801 /nfs/dbraw/zinc/26/28/01/169262801.db2.gz VSSATYAPIIISEK-HRFVKAFMSA-N -1 0 163.129 -1.909 10 0 AAAERM [NH3+][C@H](C(=O)[O-])[C@H]1[C@@H](O)[C@@H]1C(=O)[O-] 27523522 169262898 /nfs/dbraw/zinc/26/28/98/169262898.db2.gz LGSORWLWDBCUMM-NTAGLIMJSA-N -1 0 175.140 -1.910 10 0 AAAERM [NH3+][C@H](C(=O)[O-])[C@@H]1C[C@@H]1S(=O)(=O)[O-] 28711358 169262936 /nfs/dbraw/zinc/26/29/36/169262936.db2.gz XFYDZMMMXYAZLT-UZBSEBFBSA-N -1 0 195.196 -1.325 10 0 AAAERM [NH3+][C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] 13353960 169263194 /nfs/dbraw/zinc/26/31/94/169263194.db2.gz FYEASJKRDJYNDI-FONMRSAGSA-N -1 0 163.129 -1.766 10 0 AAAERM [NH3+][C@H](CC(=O)[O-])C[P@@](=O)([O-])O 26719982 169263486 /nfs/dbraw/zinc/26/34/86/169263486.db2.gz QPDBRCMSYBSIMU-GSVOUGTGSA-N -1 0 183.100 -1.034 10 0 AAAERM [NH3+][C@H](CC(=O)[O-])[C@@H](O)[C@@H](O)C(=O)[O-] 28771207 169263988 /nfs/dbraw/zinc/26/39/88/169263988.db2.gz GMFTYGDOHNHTPL-WITFEUSKSA-N -1 0 193.155 -2.405 10 0 AAAERM [NH3+][C@H](CC(=O)[O-])C(=O)NCC(=O)[O-] 1731777 169263992 /nfs/dbraw/zinc/26/39/92/169263992.db2.gz JHFNSBBHKSZXKB-GSVOUGTGSA-N -1 0 190.155 -2.011 10 0 endogenous,in-man AAAERM [NH3+][C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] 13353968 169264163 /nfs/dbraw/zinc/26/41/63/169264163.db2.gz FYEASJKRDJYNDI-VVJJHMBFSA-N -1 0 163.129 -1.766 10 0 AAAERM N[C@H](C(=O)[O-])c1nc[nH]n1 76135824 169264168 /nfs/dbraw/zinc/26/41/68/169264168.db2.gz SJPXUSPJTILKTA-REOHCLBHSA-N -1 0 142.118 -1.111 10 0 AAAERM N[C@H](C(=O)[O-])c1no[nH]c1=O 49089541 169264277 /nfs/dbraw/zinc/26/42/77/169264277.db2.gz IQRODORSILQJCJ-SFOWXEAESA-N -1 0 159.101 -1.140 10 0 AAAERM [NH3+][C@H](CC(=O)[O-])[C@H](O)[C@@H](O)C(=O)[O-] 28771210 169264306 /nfs/dbraw/zinc/26/43/06/169264306.db2.gz GMFTYGDOHNHTPL-UCZIYFJWSA-N -1 0 193.155 -2.405 10 0 AAAERM [NH3+][C@H](CNC[P@@](=O)([O-])O)C(=O)[O-] 26667068 169264809 /nfs/dbraw/zinc/26/48/09/169264809.db2.gz BCWPEDGTWONNJY-GSVOUGTGSA-N -1 0 198.115 -1.877 10 0 AAAERM [NH3+][C@H](CO)COP(=O)([O-])[O-] 5830216 169265254 /nfs/dbraw/zinc/26/52/54/169265254.db2.gz WDWYJNPKBKWDBL-GSVOUGTGSA-N -1 0 171.089 -1.585 10 0 in-vitro AAAERM [NH3+][C@H](CO)P(=O)([O-])[O-] 5131806 169266123 /nfs/dbraw/zinc/26/61/23/169266123.db2.gz RVUUAGQILBTWHJ-REOHCLBHSA-N -1 0 141.063 -1.559 10 0 AAAERM [NH3+][C@H](COC[P@@](=O)([O-])O)C(=O)[O-] 26667105 169267484 /nfs/dbraw/zinc/26/74/84/169267484.db2.gz JBCFYVGLRMZJNM-GSVOUGTGSA-N -1 0 199.099 -1.450 10 0 AAAERM [NH3+][C@H](C[S@](=O)CC(=O)[O-])C(=O)[O-] 1706921 169267647 /nfs/dbraw/zinc/26/76/47/169267647.db2.gz DUGSIUCROZRSMS-GJJZLTNQSA-N -1 0 195.196 -1.768 10 0 AAAERM [NH3+][C@H](C[C@H](O)CO)C(=O)[O-] 13351326 169267675 /nfs/dbraw/zinc/26/76/75/169267675.db2.gz MNEGOIQRDZMOLW-IUYQGCFVSA-N -1 0 149.146 -1.858 10 0 AAAERM [NH3+][C@H](Cc1cnnn1[O-])C(=O)[O-] 13471558 169267881 /nfs/dbraw/zinc/26/78/81/169267881.db2.gz JMIPYZRGHRHYAI-SCSAIBSYSA-N -1 0 172.144 -1.530 10 0 AAAERM [NH3+][C@H](CS(=O)([O-])=S)C(=O)[O-] 214717360 169268287 /nfs/dbraw/zinc/26/82/87/169268287.db2.gz PYFCCAJXYQNRBS-UWTATZPHSA-N -1 0 185.226 -1.382 10 0 AAAERM [NH3+][C@H](Cc1cc(=O)[n-]o1)C(=O)[O-] 3647769 169268326 /nfs/dbraw/zinc/26/83/26/169268326.db2.gz PEHXWVXZPICGAV-SCSAIBSYSA-N -1 0 172.140 -1.078 10 0 in-vitro AAAERM [NH3+][C@H](C[S@@](=O)CC(=O)[O-])C(=O)[O-] 4429053 169268355 /nfs/dbraw/zinc/26/83/55/169268355.db2.gz DUGSIUCROZRSMS-HERGUZPUSA-N -1 0 195.196 -1.768 10 0 AAAERM [NH3+][C@H](Cc1co[n-]c1=O)C(=O)[O-] 6091033 169268705 /nfs/dbraw/zinc/26/87/05/169268705.db2.gz ZKLGQYGPVBFAQQ-SCSAIBSYSA-N -1 0 172.140 -1.078 10 0 in-vitro AAAERM N[C@H]1C(=O)N2C(C(=O)[O-])=CCO[C@H]12 238609056 169269174 /nfs/dbraw/zinc/26/91/74/169269174.db2.gz CRUJXMFYSGSSRX-UJURSFKZSA-N -1 0 184.151 -1.519 10 0 AAAERM N[C@H]1C(=O)N2C(C(=O)[O-])=CCO[C@@H]12 238605836 169269405 /nfs/dbraw/zinc/26/94/05/169269405.db2.gz CRUJXMFYSGSSRX-NJGYIYPDSA-N -1 0 184.151 -1.519 10 0 AAAERM NC1=C(C(=O)[O-])NC(O)NC1=O 16137390 169269517 /nfs/dbraw/zinc/26/95/17/169269517.db2.gz TZQQUWODRHDHNS-NCGGTJAESA-N -1 0 173.128 -2.394 10 0 AAAERM NC1=C(C(=O)[O-])NC(O)NC1=O 1558704 169270046 /nfs/dbraw/zinc/27/00/46/169270046.db2.gz TZQQUWODRHDHNS-JCYAYHJZSA-N -1 0 173.128 -2.394 10 0 AAAERM N[C@H]1C(=O)NN=C1C(=O)[O-] 100233597 169270976 /nfs/dbraw/zinc/27/09/76/169270976.db2.gz DFZDSVCIGKAJGT-PVQJCKRUSA-N -1 0 143.102 -2.116 10 0 AAAERM [NH3+][C@H]1C(=O)[N-]O[C@H]1CC(=O)[O-] 5411557 169271149 /nfs/dbraw/zinc/27/11/49/169271149.db2.gz JFHNXMMEPVYAIC-ZAFYKAAXSA-N -1 0 160.129 -1.782 10 0 AAAERM [NH3+][C@H]1C(=O)[N-]O[C@@H]1CC(=O)[O-] 96330916 169271185 /nfs/dbraw/zinc/27/11/85/169271185.db2.gz JFHNXMMEPVYAIC-VVJJHMBFSA-N -1 0 160.129 -1.782 10 0 AAAERM [NH3+][C@H]1C(=O)[N-]O[C@@H]1C(=O)[O-] 39065919 169271437 /nfs/dbraw/zinc/27/14/37/169271437.db2.gz XJBBOTQATSWWQY-NCGGTJAESA-N -1 0 146.102 -2.172 10 0 AAAERM [NH3+][C@H]1C(=O)[N-]O[C@H]1C(=O)[O-] 39065915 169271541 /nfs/dbraw/zinc/27/15/41/169271541.db2.gz XJBBOTQATSWWQY-JCYAYHJZSA-N -1 0 146.102 -2.172 10 0 AAAERM N[C@H]1CN(S(=O)(=O)[O-])C1=O 39373035 169277566 /nfs/dbraw/zinc/27/75/66/169277566.db2.gz NSRVGDULUQOEBX-REOHCLBHSA-N -1 0 166.158 -2.041 10 0 AAAERM [NH3+][C@H]1C[C@@H](C(=O)[O-])N(CC(=O)[O-])C1 39083336 169277971 /nfs/dbraw/zinc/27/79/71/169277971.db2.gz DQKMXMVIFJPIEE-WHFBIAKZSA-N -1 0 188.183 -1.443 10 0 AAAERM N[C@H]1C[C@H](C(=O)[O-])OC1=O 13353950 169278597 /nfs/dbraw/zinc/27/85/97/169278597.db2.gz HTNUGEHTVQUKQQ-STHAYSLISA-N -1 0 145.114 -1.286 10 0 AAAERM [NH3+][C@H]1C[C@H](C(=O)[O-])N(CC(=O)[O-])C1 39083334 169278651 /nfs/dbraw/zinc/27/86/51/169278651.db2.gz DQKMXMVIFJPIEE-CRCLSJGQSA-N -1 0 188.183 -1.443 10 0 AAAERM N[C@H]1C[C@@H](C(=O)[O-])OC1=O 13353941 169278749 /nfs/dbraw/zinc/27/87/49/169278749.db2.gz HTNUGEHTVQUKQQ-HRFVKAFMSA-N -1 0 145.114 -1.286 10 0 AAAERM N[C@H]1NN=C(C(=O)[O-])N1 19327956 169279322 /nfs/dbraw/zinc/27/93/22/169279322.db2.gz MBNAIFCUPWEALJ-BIZFKFMOSA-N -1 0 130.107 -1.305 10 0 AAAERM N[C@H]1NN=C(C(=O)[O-])N1 33759318 169279730 /nfs/dbraw/zinc/27/97/30/169279730.db2.gz MBNAIFCUPWEALJ-NPKIIWCNSA-N -1 0 130.107 -1.305 10 0 AAAERM N[C@H]1NC(=O)[C@@H](CC(=O)[O-])S1 33799268 169279908 /nfs/dbraw/zinc/27/99/08/169279908.db2.gz JOGGAHUTIRCAQV-MVHIGOERSA-N -1 0 176.197 -1.065 10 0 AAAERM N[C@H]1NC(=O)[C@H](CC(=O)[O-])S1 33799269 169279940 /nfs/dbraw/zinc/27/99/40/169279940.db2.gz JOGGAHUTIRCAQV-VHUNDSFISA-N -1 0 176.197 -1.065 10 0 AAAERM [NH3+][C@](CO)(CC(=O)[O-])C(=O)[O-] 18682836 169280469 /nfs/dbraw/zinc/28/04/69/169280469.db2.gz YGLOQRWELYMJBX-YFKPBYRVSA-N -1 0 163.129 -1.765 10 0 AAAERM [NH3+][C@]1(C(=O)[O-])C[C@H]1C[P@@](=O)([O-])O 28246018 169280761 /nfs/dbraw/zinc/28/07/61/169280761.db2.gz RACNCOSUCJNQDH-WVZVXSGGSA-N -1 0 195.111 -1.034 10 0 AAAERM [NH3+][C@]1(C(=O)[O-])C[C@@H]1C[P@@](=O)([O-])O 28246005 169280931 /nfs/dbraw/zinc/28/09/31/169280931.db2.gz RACNCOSUCJNQDH-NQXXGFSBSA-N -1 0 195.111 -1.034 10 0 AAAERM [NH3+][C@](O)(CC(=O)[O-])C(=O)[O-] 27844077 169281089 /nfs/dbraw/zinc/28/10/89/169281089.db2.gz DZYHJDLBFUOKBD-BYPYZUCNSA-N -1 0 149.102 -1.807 10 0 AAAERM [NH3+][C@](CO)(CCC(=O)[O-])C(=O)[O-] 90697527 169281569 /nfs/dbraw/zinc/28/15/69/169281569.db2.gz UCEVIADUYUFCFO-LURJTMIESA-N -1 0 177.156 -1.374 10 0 AAAERM [NH3+][C@]1(C(=O)[O-])C[C@H]1C(=O)[O-] 34363760 169281598 /nfs/dbraw/zinc/28/15/98/169281598.db2.gz LVWULFVPVDNWOD-JLAZNSOCSA-N -1 0 145.114 -1.127 10 0 AAAERM [NH3+][C@]1(C(=O)[O-])CO[C@@H]2[C@H]1[C@H]2C(=O)[O-] 98052703 169281656 /nfs/dbraw/zinc/28/16/56/169281656.db2.gz YASVRZWVUGJELU-AIHDZSDESA-N -1 0 187.151 -1.502 10 0 AAAERM [NH3+][C@]1(C(=O)[O-])CC(=O)[C@@H]2[C@H]1[C@H]2C(=O)[O-] 3975030 169281699 /nfs/dbraw/zinc/28/16/99/169281699.db2.gz XHBZYLUDOIQPFQ-KALNXVOASA-N -1 0 199.162 -1.312 10 0 AAAERM [NH3+][C@]1(C(=O)[O-])CO[C@@H]2[C@H](C(=O)[O-])[C@@H]21 256012579 169281935 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