HMDB0259211 RDKit 3D trifluralin 39 39 0 0 0 0 0 0 0 0999 V2000 -1.9178 3.4939 0.1681 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0265 2.2699 0.3117 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6845 1.0938 -0.3187 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 -0.1044 -0.4357 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5033 -1.2969 -0.9778 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6054 -1.9857 -0.2524 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3412 -2.5138 1.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4803 -0.1280 -0.1725 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0626 -0.3601 1.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3470 -0.6036 2.2178 N 0 0 0 0 0 4 0 0 0 0 0 0 0.9116 -1.3856 3.0701 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8527 -0.1617 2.6089 O 0 0 0 0 0 1 0 0 0 0 0 0 2.4556 -0.4132 1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2549 -0.2357 0.0487 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7433 -0.3181 0.2073 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3370 -0.9758 -0.8548 F 0 0 0 0 0 0 0 0 0 0 0 0 5.2746 0.9542 0.3885 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0602 -1.0470 1.3337 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6611 -0.0075 -1.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2782 0.0595 -1.3182 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7760 0.2767 -2.6115 N 0 0 0 0 0 4 0 0 0 0 0 0 1.5061 -0.1566 -3.5762 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3547 0.8944 -2.9747 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.3798 4.1961 -0.5384 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9323 4.0175 1.1244 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9289 3.2169 -0.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0390 2.0579 1.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 2.4884 -0.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1449 1.4106 -1.3124 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6463 0.8995 0.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9393 -1.0683 -2.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6953 -2.0590 -1.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5039 -1.2637 -0.2693 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9581 -2.8768 -0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2448 -2.5740 1.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8681 -3.4966 1.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8031 -1.8253 1.8507 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8791 -0.6000 2.1399 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2732 0.1282 -2.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 4 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 12 1 0 9 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 15 17 1 0 15 18 1 0 14 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 21 23 1 0 20 8 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 3 29 1 0 3 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 7 37 1 0 13 38 1 0 19 39 1 0 M CHG 4 10 1 12 -1 21 1 23 -1 M END