HMDB0260408 RDKit 3D N-[2-[(R)-[3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]-1H-... 48 50 0 0 0 0 0 0 0 0999 V2000 2.4936 1.7091 -1.5135 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7803 0.5408 -0.6664 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9980 0.5927 0.0722 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7906 1.6714 -0.0372 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9748 2.0389 0.4637 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2216 1.3101 0.0907 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3639 1.4140 -1.3093 F 0 0 0 0 0 0 0 0 0 0 0 0 8.3574 1.9898 0.5948 F 0 0 0 0 0 0 0 0 0 0 0 0 7.3625 0.0303 0.4900 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2921 -0.4829 0.8729 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3869 -1.5516 0.9103 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2639 -1.5366 0.1924 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9247 -0.5136 -0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6844 -0.5520 -1.3674 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2841 -2.0091 -1.1462 S 0 0 0 0 0 4 0 0 0 0 0 0 -1.2742 -2.2784 -2.2289 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8221 -2.3292 0.4749 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2290 -3.0664 1.4305 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9683 -3.0623 2.5478 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1086 -2.2829 2.3199 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0112 -1.8290 1.0259 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9244 -0.9982 0.3219 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1093 -0.5102 0.8976 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4012 -0.8012 2.0759 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0316 0.3388 0.1629 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2410 0.7312 0.7456 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1595 1.5329 0.1123 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8816 1.9766 -1.1618 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7065 1.6184 -1.7772 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8050 0.8113 -1.1124 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4674 2.1313 -1.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0101 2.5383 -0.9715 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9350 1.4015 -2.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9846 2.0269 1.6195 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1663 3.1492 0.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1824 -0.5461 1.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5961 -2.4140 1.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0159 0.3359 -1.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8933 -0.4618 -2.4721 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6963 -3.5686 1.2821 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7694 -3.5568 3.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8879 -2.1074 3.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7162 -0.7309 -0.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4382 0.3634 1.7623 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0679 1.7905 0.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6001 2.6178 -1.6872 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5202 1.9829 -2.7746 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8845 0.5453 -1.6225 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 6 9 1 0 3 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 13 2 1 0 21 17 2 0 30 25 1 0 1 31 1 0 1 32 1 0 1 33 1 0 5 34 1 0 5 35 1 0 10 36 1 0 11 37 1 0 14 38 1 0 14 39 1 0 18 40 1 0 19 41 1 0 20 42 1 0 22 43 1 0 26 44 1 0 27 45 1 0 28 46 1 0 29 47 1 0 30 48 1 0 M END