HMDB0034852 RDKit 3D Sulfentrazone 33 34 0 0 0 0 0 0 0 0999 V2000 -4.5693 0.3730 -1.3185 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2123 0.2774 -0.6779 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2562 -0.6231 -0.9903 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1800 -0.4390 -0.2440 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0132 -1.2155 -0.3154 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2432 -0.6636 -0.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4137 -1.3915 -0.0653 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6724 -0.7974 0.2610 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8538 0.8232 0.7429 S 0 0 0 0 0 6 0 0 0 0 0 0 3.3364 1.9845 -0.4873 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2707 1.0825 1.1634 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9966 1.0374 1.9754 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3182 -2.7105 -0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7775 -3.6722 -0.5428 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0978 -3.2978 -0.7715 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0521 -2.5391 -0.6997 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6065 -3.2489 -1.0958 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4663 0.5979 0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 1.0957 1.4117 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7068 1.0340 0.2871 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4113 2.1345 0.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0419 2.8375 -0.0882 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5523 2.9648 1.6117 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.5038 0.9209 -2.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9820 -0.6344 -1.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2256 0.9546 -0.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3213 0.3715 0.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5146 -1.4035 0.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8730 2.8696 -0.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7030 1.5557 -1.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2603 2.3630 -0.9835 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0073 -4.3310 -1.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1899 1.6898 1.5871 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 2 0 9 12 2 0 7 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 16 17 1 0 4 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 20 2 1 0 16 5 1 0 1 24 1 0 1 25 1 0 1 26 1 0 6 27 1 0 8 28 1 0 10 29 1 0 10 30 1 0 10 31 1 0 15 32 1 0 21 33 1 0 M END