HMDB0255625 RDKit 3D Niridazole 20 21 0 0 0 0 0 0 0 0999 V2000 4.5399 -1.7626 0.2704 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2618 -0.5593 0.3041 N 0 0 0 0 0 4 0 0 0 0 0 0 5.2548 0.3642 0.4129 O 0 0 0 0 0 1 0 0 0 0 0 0 2.8970 -0.1713 0.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3481 1.0885 0.2448 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0674 1.1981 0.1616 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3075 0.1153 0.0619 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0908 -0.0150 -0.0400 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8387 -1.2334 -0.1449 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2917 -0.8102 -0.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2089 0.6283 -0.1576 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0165 1.0445 -0.0571 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7172 2.4202 0.0241 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4731 -1.1365 0.0870 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0150 1.9759 0.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7042 -1.9008 0.7567 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5921 -1.8120 -1.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8819 -1.1571 0.6458 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7523 -1.1231 -1.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0706 2.8462 -0.6472 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 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 1 0 10 11 1 0 11 12 2 0 12 13 1 0 7 14 1 0 14 4 1 0 12 8 1 0 5 15 1 0 9 16 1 0 9 17 1 0 10 18 1 0 10 19 1 0 13 20 1 0 M CHG 2 2 1 3 -1 M END