HMDB0014536 RDKit 3D Ethopropazine 46 48 0 0 0 0 0 0 0 0999 V2000 -1.9187 2.5585 0.5611 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1677 1.4781 -0.4696 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6219 0.2546 -0.0114 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3264 -0.2872 1.1128 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7126 -0.7610 0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1471 -0.6774 -0.9593 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1129 -1.1813 -1.9724 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1593 -0.2975 -1.5984 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2628 -0.2035 -0.6732 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7957 -1.4482 -0.1742 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3482 -2.6578 -0.6938 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8648 -3.8886 -0.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8549 -3.9369 0.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3164 -2.7665 1.1881 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7819 -1.5519 0.7648 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4421 -0.0764 1.5071 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6929 1.2939 0.6854 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 2.5354 1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5969 3.6666 0.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5984 3.4881 -0.4756 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 2.2297 -0.8273 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7064 1.0751 -0.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9602 2.4428 1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9078 3.5759 0.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7702 2.5878 1.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8426 1.8321 -1.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3002 1.4238 -0.5561 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4599 0.5345 1.8669 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7031 -1.0798 1.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4727 -0.4906 1.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0146 -0.4779 -0.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6625 -1.8791 0.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9010 -1.6018 -0.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6987 -2.0680 -1.6054 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7941 -0.3893 -2.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5598 -1.5615 -2.8633 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4190 -1.0652 -2.4028 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0336 0.5928 -2.1833 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5987 -2.6791 -1.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5021 -4.8127 -0.7029 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2979 -4.8548 1.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1044 -2.7965 1.9449 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9105 2.7029 1.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9474 4.6323 0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1884 4.3770 -0.9122 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4110 2.2085 -1.5746 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 3 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 9 1 0 15 10 1 0 22 17 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 2 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 7 34 1 0 7 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 11 39 1 0 12 40 1 0 13 41 1 0 14 42 1 0 18 43 1 0 19 44 1 0 20 45 1 0 21 46 1 0 M END