HMDB0060664 RDKit 3D Isoniazid pyruvate 24 24 0 0 0 0 0 0 0 0999 V2000 2.4080 -1.3355 -0.1665 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 0.1118 0.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7059 0.8918 0.3707 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3998 0.4378 0.5199 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5945 0.9196 -0.3487 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3306 1.7626 -1.2676 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9678 0.4509 -0.2046 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2609 -0.6518 0.5618 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5739 -1.0845 0.6956 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5158 -0.3844 0.0517 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2754 0.6825 -0.6961 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9970 1.1487 -0.8592 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 0.6487 -0.0863 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2401 1.8696 0.0991 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0884 -0.1610 -0.4279 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9083 -1.4975 -1.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7114 -1.7104 0.6054 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3615 -1.9021 -0.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1681 -0.2380 1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5094 -1.2440 1.0946 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8266 -1.9595 1.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0572 1.2411 -1.2142 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7337 2.0164 -1.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9706 -0.0127 0.0610 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 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 2 13 1 0 13 14 2 0 13 15 1 0 12 7 1 0 1 16 1 0 1 17 1 0 1 18 1 0 4 19 1 0 8 20 1 0 9 21 1 0 11 22 1 0 12 23 1 0 15 24 1 0 M END