HMDB0259408 RDKit 3D Cyclohexanecarboxamide, N-(2-((ethylsulfonyl)amino)-5-(trifluoromethyl)-3-pyr... 45 46 0 0 0 0 0 0 0 0999 V2000 -4.1588 2.6274 1.6367 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4849 2.6610 0.1813 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1146 1.2135 -0.7118 S 0 0 0 0 0 6 0 0 0 0 0 0 -4.4951 1.3547 -2.1867 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9115 0.0388 -0.1583 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4470 0.7604 -0.7130 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0773 -0.4486 -0.0997 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0357 -1.2358 0.4900 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7183 -2.4428 1.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4490 -2.9396 0.9743 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0891 -4.2728 1.5359 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2210 -4.6005 1.2815 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.9873 -5.1765 0.9813 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2485 -4.2054 2.9042 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4560 -2.1370 0.3738 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 -0.9047 -0.1562 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2077 -0.0995 -0.7338 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5366 -0.4608 -0.9986 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0380 -1.6110 -0.7400 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5259 0.4794 -1.6335 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8294 -0.1953 -1.8914 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8333 -0.0581 -0.7969 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2698 0.2599 0.5609 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2440 1.3438 0.5829 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6448 1.6800 -0.7412 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6091 1.7566 2.1346 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6902 3.5180 2.0925 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0586 2.7459 1.8379 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6123 2.8200 0.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0230 3.5819 -0.2785 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7683 1.3794 -1.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4783 -3.0709 1.4713 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5337 -2.5311 0.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0223 0.9209 -0.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0310 0.8142 -2.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2814 0.2580 -2.8167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6351 -1.2660 -2.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6381 0.6437 -1.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3328 -1.0655 -0.6986 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9279 -0.6610 1.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1323 0.6202 1.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6155 2.3059 1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4182 1.0236 1.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6193 2.0724 -0.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1976 2.5033 -1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 2 0 3 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 13 1 0 11 14 1 0 10 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 16 7 1 0 25 20 1 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 0 2 30 1 0 6 31 1 0 9 32 1 0 15 33 1 0 17 34 1 0 20 35 1 0 21 36 1 0 21 37 1 0 22 38 1 0 22 39 1 0 23 40 1 0 23 41 1 0 24 42 1 0 24 43 1 0 25 44 1 0 25 45 1 0 M END