HMDB0015018 RDKit 3D Chlorothiazide 23 24 0 0 0 0 0 0 0 0999 V2000 3.5159 0.8528 1.4690 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0956 -0.1897 0.1748 S 0 0 0 0 0 6 0 0 0 0 0 0 3.6701 0.3536 -1.1260 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6909 -1.5365 0.3845 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3460 -0.2955 0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4893 0.4035 0.8499 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 0.3058 0.7001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4548 -0.4730 -0.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5981 -1.1655 -1.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7721 -1.0786 -0.9712 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8645 -1.9554 -2.0286 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.8654 -0.5939 -0.4521 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7802 0.0826 0.3622 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5383 0.8685 1.3364 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9188 1.1973 1.7768 S 0 0 0 0 0 6 0 0 0 0 0 0 -1.6690 2.6747 1.5438 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6346 0.8889 3.2149 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7824 0.2634 2.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2922 1.4579 1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9643 1.0148 1.6138 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0378 -1.7854 -1.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2566 -1.2163 -1.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8544 -0.0738 0.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 2 0 2 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 8 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 17 2 0 10 5 1 0 15 7 1 0 1 18 1 0 1 19 1 0 6 20 1 0 9 21 1 0 12 22 1 0 13 23 1 0 M END