HMDB0258575 RDKit 3D Sulfamethoxypyridazine 31 32 0 0 0 0 0 0 0 0999 V2000 5.1461 -2.4812 1.6313 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2023 -1.4641 1.9079 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3411 -1.0251 0.9277 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4073 -0.0385 1.1514 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 0.3910 0.1572 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6322 -0.1787 -1.0769 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8161 0.1979 -2.1762 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4211 1.3626 -2.1372 S 0 0 0 0 0 6 0 0 0 0 0 0 -0.9911 1.5064 -3.5456 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1535 2.7347 -1.8302 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7377 0.9935 -1.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9196 1.5618 0.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9873 1.2221 0.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9237 0.2892 0.5898 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0123 -0.0591 1.4187 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7635 -0.2976 -0.6393 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6997 0.0459 -1.4433 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5759 -1.1570 -1.2567 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3881 -1.5568 -0.2980 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6705 -2.7555 2.5675 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6815 -3.3553 1.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9238 -2.1077 0.9241 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3865 0.3805 2.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8490 1.1675 0.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 -0.2832 -3.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2190 2.3060 0.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1172 1.6828 1.9465 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4144 0.5624 2.1522 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4694 -1.0036 1.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4709 -1.0384 -0.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5549 -0.4036 -2.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 2 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 6 18 1 0 18 19 2 0 19 3 1 0 17 11 1 0 1 20 1 0 1 21 1 0 1 22 1 0 4 23 1 0 5 24 1 0 7 25 1 0 12 26 1 0 13 27 1 0 15 28 1 0 15 29 1 0 16 30 1 0 17 31 1 0 M END