HMDB0251087 RDKit 3D Dexlansoprazole 39 41 0 0 0 0 0 0 0 0999 V2000 -1.8983 -1.4561 -0.9942 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2550 -0.3428 -0.0785 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6249 -0.0613 0.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5064 -0.8057 -0.5716 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8214 -0.9707 -0.7866 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6058 0.1301 -1.4365 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1114 0.4331 -2.6940 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.8471 1.1985 -0.6448 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.8725 -0.4430 -1.7111 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.9483 0.9654 0.9374 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9351 1.6588 1.5664 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6546 1.3481 1.3668 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2609 0.3535 0.5524 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1777 0.0459 0.3634 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2129 1.1463 1.3349 S 0 0 0 0 0 4 0 0 0 0 0 0 0.9214 1.0399 2.8112 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9010 0.6958 1.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6597 -0.2072 1.7213 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8920 -0.2719 1.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0119 -1.0264 1.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1867 -0.8938 0.8045 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2099 -0.0019 -0.2464 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0867 0.7432 -0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9253 0.6054 0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7204 1.1790 0.0760 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9114 -1.3147 -1.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9223 -2.4361 -0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6498 -1.4482 -1.8141 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3275 -1.1255 0.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0893 -1.9223 -1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0011 1.2432 1.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2139 2.4743 2.2362 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4135 -1.0199 0.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 0.2302 -0.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9757 -1.7161 2.3526 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0691 -1.4871 1.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0891 0.1371 -0.8365 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1606 1.4268 -1.4008 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4142 1.8959 -0.6106 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 1 0 6 7 1 0 6 8 1 0 6 9 1 0 3 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 13 2 1 0 25 17 1 0 24 19 1 0 1 26 1 0 1 27 1 0 1 28 1 0 5 29 1 0 5 30 1 0 10 31 1 0 11 32 1 0 14 33 1 0 14 34 1 0 20 35 1 0 21 36 1 0 22 37 1 0 23 38 1 0 25 39 1 0 M END