HMDB0014665 RDKit 3D Metolazone 40 42 0 0 0 0 0 0 0 0999 V2000 -2.4253 2.0515 1.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9473 1.4149 0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1308 1.8819 -0.1895 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6248 1.2936 -1.3417 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9140 0.2540 -1.9253 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7174 -0.2073 -1.3762 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2346 0.3833 -0.2313 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0368 -0.0238 0.3823 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1932 0.4658 -0.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2948 1.4959 -0.8175 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4364 -0.2388 0.2003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6386 0.2256 -0.2707 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7920 -0.4527 0.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3704 0.0428 -0.5068 S 0 0 0 0 0 6 0 0 0 0 0 0 5.3249 1.4594 -1.4545 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9005 -1.0814 -1.3823 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2775 0.1284 0.6724 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7023 -1.5880 0.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1346 -2.5186 1.2492 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4974 -2.0604 1.2888 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3458 -1.3800 0.9813 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0812 -1.8471 1.4633 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0517 -0.9484 1.5255 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3118 -1.7705 1.5492 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0140 1.7353 2.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3620 1.8977 1.7412 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5900 3.1626 1.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6856 2.6916 0.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5501 1.6269 -1.7945 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3074 -0.1892 -2.8126 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1487 -1.0154 -1.8154 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7123 1.1094 -0.8765 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2449 1.9591 -1.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5268 2.0977 -1.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4217 -2.9521 1.9001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0509 -2.8239 1.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9416 -0.3614 2.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0367 -1.2741 2.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1315 -2.7800 1.9856 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6821 -1.8647 0.5113 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 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 2 0 14 17 2 0 13 18 2 0 18 19 1 0 18 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 7 2 1 0 23 8 1 0 21 11 1 0 1 25 1 0 1 26 1 0 1 27 1 0 3 28 1 0 4 29 1 0 5 30 1 0 6 31 1 0 12 32 1 0 15 33 1 0 15 34 1 0 20 35 1 0 22 36 1 0 23 37 1 0 24 38 1 0 24 39 1 0 24 40 1 0 M END