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ABAFRN C/C=C/[C@@H](O)[C@H]1OC(=O)C[C@H]1O 13460654 560217080 /nfs/dbraw/zinc/21/70/80/560217080.db2.gz SCZBXCWCQZXSMJ-HFQVNHGWSA-N 0 0 172.180 -0.400 1 0 in-vitro ABAFRN Cc1nccnc1C[C@@H](O)[C@@H](O)CO 14638248 560223348 /nfs/dbraw/zinc/22/33/48/560223348.db2.gz KIUSNPVZHFRLAJ-BDAKNGLRSA-N 0 0 198.222 -0.958 1 0 biogenic,in-vitro ABAFRN Cc1nccnc1C[C@H](O)[C@@H](O)CO 14638250 560223387 /nfs/dbraw/zinc/22/33/87/560223387.db2.gz KIUSNPVZHFRLAJ-IUCAKERBSA-N 0 0 198.222 -0.958 1 0 biogenic,in-vitro ABAFRN C/C=C\[S@](=O)C[C@@H]([NH3+])C(=O)[O-] 14680221 571718153 /nfs/dbraw/zinc/71/81/53/571718153.db2.gz OKYHUOHBRKWCQJ-MEWPCDJXSA-N 0 0 177.225 -0.319 1 0 endogenous,in-man ABAFRN O=C1N[C@@H]2C=NC=N[C@H]2N1 85587794 571783370 /nfs/dbraw/zinc/78/33/70/571783370.db2.gz GIKQOZJNGHZXSN-DMTCNVIQSA-N 0 0 138.130 -0.689 1 0 endogenous,in-man ABAFRN O=C1N[C@H]2N=CN=C[C@@H]2N1 85587804 571783415 /nfs/dbraw/zinc/78/34/15/571783415.db2.gz GIKQOZJNGHZXSN-IUYQGCFVSA-N 0 0 138.130 -0.689 1 0 endogenous,in-man ABAFRN O=C1N[C@H]2C=NC=N[C@H]2N1 85587800 571783423 /nfs/dbraw/zinc/78/34/23/571783423.db2.gz GIKQOZJNGHZXSN-IMJSIDKUSA-N 0 0 138.130 -0.689 1 0 endogenous,in-man ABAFRN O=C1N[C@@H]2C=NC=N[C@@H]2N1 85587797 571783426 /nfs/dbraw/zinc/78/34/26/571783426.db2.gz GIKQOZJNGHZXSN-QWWZWVQMSA-N 0 0 138.130 -0.689 1 0 endogenous,in-man ABAFRN C[C@H]([NH3+])C(=O)NC(C(=O)[O-])[C@H](C)O 100385857 571803102 /nfs/dbraw/zinc/80/31/02/571803102.db2.gz HBUUZYFIORWACB-IMJSIDKUSA-N 0 0 190.199 -0.884 1 0 endogenous,in-vitro ABAFRN C[C@H]([NH3+])C(=O)NCC(=O)[O-] 100385787 571803286 /nfs/dbraw/zinc/80/32/86/571803286.db2.gz IDKKWWQIUDKZRD-VKHMYHEASA-N 0 0 146.146 -0.635 1 0 endogenous,in-vitro ABAFRN C[C@H](O)C(NC(=O)[C@@H](C)[NH3+])C(=O)[O-] 100385852 571803412 /nfs/dbraw/zinc/80/34/12/571803412.db2.gz HBUUZYFIORWACB-DMTCNVIQSA-N 0 0 190.199 -0.884 1 0 endogenous,in-vitro ABAFRN C[C@@H]([NH3+])C(=O)NC(C(=O)[O-])[C@@H](C)O 100385849 571803420 /nfs/dbraw/zinc/80/34/20/571803420.db2.gz HBUUZYFIORWACB-QWWZWVQMSA-N 0 0 190.199 -0.884 1 0 endogenous,in-vitro ABAFRN CC(NC(=O)[C@H]([NH3+])[C@H](C)O)C(=O)[O-] 100388085 571809052 /nfs/dbraw/zinc/80/90/52/571809052.db2.gz LXBDZKRQHAIKLX-CRCLSJGQSA-N 0 0 190.199 -0.884 1 0 endogenous,in-vitro ABAFRN CC(NC(=O)[C@@H]([NH3+])[C@@H](C)O)C(=O)[O-] 100388087 571809078 /nfs/dbraw/zinc/80/90/78/571809078.db2.gz LXBDZKRQHAIKLX-UHNVWZDZSA-N 0 0 190.199 -0.884 1 0 endogenous,in-vitro ABAFRN [NH2+]=CNC(CO)C(=O)[O-] 100389347 571811569 /nfs/dbraw/zinc/81/15/69/571811569.db2.gz JXKMBPXBPMELMU-UHFFFAOYSA-N 0 0 132.119 -0.540 1 0 endogenous,in-vitro ABAFRN C[C@H](O)C(NC=[NH2+])C(=O)[O-] 100389353 571811639 /nfs/dbraw/zinc/81/16/39/571811639.db2.gz SXLTVKKLHPMNSR-VKHMYHEASA-N 0 0 146.146 -0.151 1 0 endogenous,in-vitro ABAFRN NC(=O)CC(NC=[NH2+])C(=O)[O-] 100389291 571811837 /nfs/dbraw/zinc/81/18/37/571811837.db2.gz MHADAJNBVZTCPR-UHFFFAOYSA-N 0 0 159.145 -0.656 1 0 endogenous,in-vitro ABAFRN c1cnnnn1 64624470 572583131 /nfs/dbraw/zinc/58/31/31/572583131.db2.gz DPOPAJRDYZGTIR-UHFFFAOYSA-N 0 0 82.066 -0.733 1 0 in-vitro ABAFRN CC(NC(=O)[C@@H](C)[NH3+])C(=O)[O-] 39072908 574414441 /nfs/dbraw/zinc/41/44/41/574414441.db2.gz CEPDREJBWXWTIN-GSVOUGTGSA-N 0 0 160.173 -0.245 1 0 endogenous,in-vitro ABAFRN CC(NC(=O)[C@H](C)[NH3+])C(=O)[O-] 39072907 574414450 /nfs/dbraw/zinc/41/44/50/574414450.db2.gz CEPDREJBWXWTIN-VKHMYHEASA-N 0 0 160.173 -0.245 1 0 endogenous,in-vitro ABAFRN [NH3+]CC(=O)N1CCCC1C(=O)[O-] 69486934 574415921 /nfs/dbraw/zinc/41/59/21/574415921.db2.gz WDWKXSOTLMRIMQ-UHFFFAOYSA-N 0 0 172.184 -0.147 1 0 endogenous,in-vitro ABAFRN CC(NC(=O)C[NH3+])C(=O)[O-] 69486899 574415877 /nfs/dbraw/zinc/41/58/77/574415877.db2.gz YLKVXCYIXKJAEG-UHFFFAOYSA-N 0 0 146.146 -0.634 1 0 endogenous,in-vitro ABAFRN O=C([O-])CNC(=O)[C@H]1CCC[NH2+]1 69487778 574416219 /nfs/dbraw/zinc/41/62/19/574416219.db2.gz CEGMXLZAVMUPEZ-RXMQYKEDSA-N 0 0 172.184 -0.231 1 0 endogenous,in-vitro ABAFRN O=C([O-])CNC(=O)[C@@H]1CCC[NH2+]1 69487780 574416227 /nfs/dbraw/zinc/41/62/27/574416227.db2.gz CEGMXLZAVMUPEZ-YFKPBYRVSA-N 0 0 172.184 -0.231 1 0 endogenous,in-vitro ABAFRN [NH2+]=CN[C@H](Cc1c[nH]cn1)C(=O)[O-] 69488493 574416368 /nfs/dbraw/zinc/41/63/68/574416368.db2.gz FCJOZCKZXDHABX-ZCFIWIBFSA-N 0 0 182.183 -0.398 1 0 endogenous,in-vitro ABAFRN C[C@H](O)[C@H](NC=[NH2+])C(=O)[O-] 69488534 574416390 /nfs/dbraw/zinc/41/63/90/574416390.db2.gz QWSBQCOTSFHBBJ-IMJSIDKUSA-N 0 0 146.146 -0.983 1 0 endogenous,in-vitro ABAFRN C[C@@H](O)[C@@H](NC=[NH2+])C(=O)[O-] 69488527 574416393 /nfs/dbraw/zinc/41/63/93/574416393.db2.gz QWSBQCOTSFHBBJ-QWWZWVQMSA-N 0 0 146.146 -0.983 1 0 endogenous,in-vitro ABAFRN [NH2+]=CN[C@@H](Cc1c[nH]cn1)C(=O)[O-] 69488494 574416397 /nfs/dbraw/zinc/41/63/97/574416397.db2.gz FCJOZCKZXDHABX-LURJTMIESA-N 0 0 182.183 -0.398 1 0 endogenous,in-vitro ABAFRN C[C@@H](O)[C@H](NC=[NH2+])C(=O)[O-] 69488532 574416408 /nfs/dbraw/zinc/41/64/08/574416408.db2.gz QWSBQCOTSFHBBJ-DMTCNVIQSA-N 0 0 146.146 -0.983 1 0 endogenous,in-vitro ABAFRN C[C@H](O)[C@@H](NC=[NH2+])C(=O)[O-] 69488529 574416409 /nfs/dbraw/zinc/41/64/09/574416409.db2.gz QWSBQCOTSFHBBJ-IUYQGCFVSA-N 0 0 146.146 -0.983 1 0 endogenous,in-vitro ABAFRN NC(=O)CCC(NC=[NH2+])C(=O)[O-] 69488693 574416498 /nfs/dbraw/zinc/41/64/98/574416498.db2.gz OHTMFJYAMBXBCA-UHFFFAOYSA-N 0 0 173.172 -0.266 1 0 endogenous,in-vitro ABAFRN C[C@@H]([NH3+])C(=O)NCC(=O)[O-] 100385784 574417271 /nfs/dbraw/zinc/41/72/71/574417271.db2.gz IDKKWWQIUDKZRD-GSVOUGTGSA-N 0 0 146.146 -0.635 1 0 endogenous,in-vitro ABAFRN C[C@H]([NH3+])C(=O)NC(C(=O)[O-])[C@@H](C)O 100385854 574417287 /nfs/dbraw/zinc/41/72/87/574417287.db2.gz HBUUZYFIORWACB-IUYQGCFVSA-N 0 0 190.199 -0.884 1 0 endogenous,in-vitro ABAFRN CC(NC(=O)[C@H]([NH3+])[C@@H](C)O)C(=O)[O-] 100388082 574418095 /nfs/dbraw/zinc/41/80/95/574418095.db2.gz LXBDZKRQHAIKLX-RFZPGFLSSA-N 0 0 190.199 -0.884 1 0 endogenous,in-vitro ABAFRN CC(NC(=O)[C@@H]([NH3+])[C@H](C)O)C(=O)[O-] 100388091 574418105 /nfs/dbraw/zinc/41/81/05/574418105.db2.gz LXBDZKRQHAIKLX-WHFBIAKZSA-N 0 0 190.199 -0.884 1 0 endogenous,in-vitro ABAFRN C[C@@H](O)C(NC=[NH2+])C(=O)[O-] 100389350 574418484 /nfs/dbraw/zinc/41/84/84/574418484.db2.gz SXLTVKKLHPMNSR-GSVOUGTGSA-N 0 0 146.146 -0.151 1 0 endogenous,in-vitro ABAFRN O=C1O/C(=C/CO)C=C1CO 100771998 574418554 /nfs/dbraw/zinc/41/85/54/574418554.db2.gz LYJDVGNTDYPSTE-LZCJLJQNSA-N 0 0 156.137 -0.662 1 0 endogenous,in-man ABAFRN