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Copy pathNEG_Included.sdf
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NEG_Included.sdf
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Trifluoromethyl sulfonamide
SciTegic12111216203D
8 7 0 0 0 0 999 V2000
1.3584 0.6843 -1.3141 N 0 0 0 0 0 0 0 0 0 1 0 0
0.6807 -0.1551 0.0506 S 0 0 0 0 0 0 0 0 0 2 0 0
1.1371 0.5131 1.3337 O 0 0 0 0 0 0 0 0 0 3 0 0
1.1452 -1.5990 0.0387 O 0 0 0 0 0 0 0 0 0 4 0 0
-1.1244 -0.1026 -0.0464 C 0 0 0 0 0 0 0 0 0 5 0 0
-1.5469 1.2108 -0.0356 F 0 0 0 0 0 0 0 0 0 6 0 0
-1.5394 -0.7103 -1.2135 F 0 0 0 0 0 0 0 0 0 7 0 0
-1.6621 -0.7682 1.0359 F 0 0 0 0 0 0 0 0 0 8 0 0
1 2 1 0
2 3 2 0
2 4 2 0
2 5 1 0
5 6 1 0
5 7 1 0
5 8 1 0
M END
> <Name>
Trifluoromethyl sulfonamide
$$$$
Sulfonic acids
SciTegic12111216203D
4 3 0 0 0 0 999 V2000
-0.0204 0.0190 0.3626 S 0 0 0 0 0 0 0 0 0 1 0 0
-1.2304 0.4296 -0.4549 O 0 0 0 0 0 0 0 0 0 2 0 0
0.9113 1.2059 0.5194 O 0 0 0 0 0 0 0 0 0 3 0 0
0.7974 -1.2437 -0.4290 O 0 0 0 0 0 0 0 0 0 4 0 0
1 2 2 0
1 3 2 0
1 4 1 0
M END
> <Name>
Sulfonic acids
$$$$
Phosphonic acids
SciTegic12111216203D
4 3 0 0 0 0 999 V2000
0.3371 -0.0339 0.3316 P 0 0 0 0 0 0 0 0 0 1 0 0
0.6141 1.1056 -0.3968 O 0 0 0 0 0 0 0 0 0 2 0 0
-1.1981 -0.2167 0.4423 O 0 0 0 0 0 0 0 0 0 3 0 0
0.9549 -1.2651 -0.3791 O 0 0 0 0 0 0 0 0 0 4 0 0
1 2 2 0
1 3 1 0
1 4 1 0
M END
> <Name>
Phosphonic acids
$$$$
Sulfinic acids
SciTegic12111216203D
3 2 0 0 0 0 999 V2000
-0.6855 -0.3204 -0.0006 S 0 0 0 0 0 0 0 0 0 1 0 0
-0.5071 1.1861 -0.0010 O 0 0 0 0 0 0 0 0 0 2 0 0
0.8392 -1.0723 0.0000 O 0 0 0 0 0 0 0 0 0 3 0 0
1 2 2 0
1 3 1 0
M END
> <Name>
Sulfinic acids
$$$$
Carboxylic acids
DSViewer 3D 0
3 2 0 0 0 0 0 0 0 0999 V2000
5.6220 -6.4373 -0.0006 C 0 0 0 0 0 0 0 0 0 1
5.5886 -5.2015 -0.0010 O 0 0 0 0 0 0 0 0 0 2
4.4362 -7.1654 -0.0000 O 0 0 0 0 0 0 0 0 0 3
1 2 2 0 0 0
1 3 1 0 0 0
M END
$$$$
Phosphinic acids
SciTegic12111216203D
3 2 0 0 0 0 999 V2000
0.5569 -0.2562 -0.0006 P 0 0 0 0 0 0 0 0 0 1 0 0
0.5290 1.0834 -0.0010 O 0 0 0 0 0 0 0 0 0 2 0 0
-0.7310 -1.0359 0.0000 O 0 0 0 0 0 0 0 0 0 3 0 0
1 2 2 0
1 3 1 0
M END
> <Name>
Phosphinic acids
$$$$
Tetrazoles
SciTegic12111216203D
5 5 0 0 0 0 999 V2000
0.0212 1.0475 -0.0002 N 0 0 0 0 0 0 0 0 0 1 0 0
-1.0947 0.2470 -0.0009 C 0 0 0 0 0 0 0 0 0 2 0 0
-0.6707 -0.9476 -0.0005 N 0 0 0 0 0 0 0 0 0 3 0 0
0.6761 -0.9185 0.0004 N 0 0 0 0 0 0 0 0 0 4 0 0
1.0690 0.2336 0.0006 N 0 0 0 0 0 0 0 0 0 5 0 0
2 3 2 0
1 2 1 0
3 4 1 0
4 5 2 0
5 1 1 0
M END
> <Name>
Tetrazoles
$$$$