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/nfs/dbraw/zinc/72/93/54/343729354.db2.gz AJDSAUKNRZFLTF-KTKRTIGZSA-N 0 0 197.198 -0.366 40 10 ABCBRN NC=C1SC(=S)NC1=O 117979413 343774110 /nfs/dbraw/zinc/77/41/10/343774110.db2.gz XYIWBFQEHFJEMF-UPHRSURJSA-N 0 0 160.223 -0.066 40 10 ABCBRN C[C@H](O)C1=CNS(C)(=O)=CC1=O 218807397 344416744 /nfs/dbraw/zinc/41/67/44/344416744.db2.gz ISYPVMGTOZXQOL-UJOLQPBBSA-N 0 0 189.236 -0.105 40 10 ABCBRN CNC=C1SC(NC(C)=O)=NC1=O 618254921 347187902 /nfs/dbraw/zinc/18/79/02/347187902.db2.gz KCQXQXYKBYHLET-HYXAFXHYSA-N 0 0 199.235 -0.187 40 10 ABCBRN CCO[C@@H]1OC(=O)C(=O)C1=O 1653813 351291487 /nfs/dbraw/zinc/29/14/87/351291487.db2.gz LXMMOXKZFRDUTE-ZCFIWIBFSA-N 0 0 158.109 -0.956 40 10 ABCBRN CCO[C@H]1OC(=O)C(=O)C1=O 4974761 351336212 /nfs/dbraw/zinc/33/62/12/351336212.db2.gz LXMMOXKZFRDUTE-LURJTMIESA-N 0 0 158.109 -0.956 40 10 ABCBRN N#[N+]c1[n-]ncc1C(N)=O 17419165 351383662 /nfs/dbraw/zinc/38/36/62/351383662.db2.gz BQSJKVZIMIYYKM-UHFFFAOYSA-N 0 0 137.102 -0.550 40 10 ABCBRN N#[N+]c1[n-]cnc1-c1nc[nH]n1 17014314 351381748 /nfs/dbraw/zinc/38/17/48/351381748.db2.gz GCNHJMIFEBTWOD-UHFFFAOYSA-N 0 0 161.128 -0.736 40 10 ABCBRN C[C@@H]1NC(=O)NC(=O)C1=S 100493018 351697910 /nfs/dbraw/zinc/69/79/10/351697910.db2.gz LSQMQHRHCMXGGO-REOHCLBHSA-N 0 0 158.182 -0.416 40 10 ABCBRN N#[N+]C1=C([O-])CCCC1=O 16137612 371622346 /nfs/dbraw/zinc/62/23/46/371622346.db2.gz RYKJHLDHDQWHEK-UHFFFAOYSA-N 0 0 138.126 -0.021 40 10 ABCBRN N#[N+]C1=C([O-])NC(=O)NC1 5956545 534973714 /nfs/dbraw/zinc/97/37/14/534973714.db2.gz LMVCXUQSILHPLZ-UHFFFAOYSA-N 0 0 140.102 -0.663 40 10 ABCBRN C[C@@H]1O[C@H](C)C(=O)C1=O 15849047 572052872 /nfs/dbraw/zinc/05/28/72/572052872.db2.gz PUVDDHUFFRRFMN-ZXZARUISSA-N 0 0 128.127 -0.068 40 10 ABCBRN