HMDB0014959 RDKit 3D Carprofen 31 33 0 0 0 0 0 0 0 0999 V2000 -3.5526 0.2244 -1.9312 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2288 -0.4015 -0.5838 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8496 0.4282 0.4677 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4865 1.4922 0.1988 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7605 0.0746 1.8006 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7767 -0.4813 -0.3426 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1553 -1.7024 -0.1983 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2009 -1.8138 0.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9393 -0.6384 0.1088 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3451 0.5955 -0.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0154 0.6614 -0.2571 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3280 1.5006 0.0986 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5047 0.8919 0.3129 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7842 1.3653 0.5066 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8265 0.4705 0.7087 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6304 -0.9007 0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9937 -1.9623 0.9846 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3467 -1.3646 0.5293 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2986 -0.4725 0.3263 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5529 0.7141 -1.8184 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7704 0.9235 -2.2722 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7004 -0.5775 -2.7103 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6593 -1.4308 -0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2708 0.5234 2.5282 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7930 -2.5853 -0.2724 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6852 -2.7873 0.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4487 1.6578 -0.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1789 2.5293 0.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9724 2.4503 0.4999 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8217 0.8244 0.8599 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1646 -2.4355 0.5364 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 3 5 1 0 2 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 2 0 11 6 1 0 19 13 1 0 19 9 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 5 24 1 0 7 25 1 0 8 26 1 0 11 27 1 0 12 28 1 0 14 29 1 0 15 30 1 0 18 31 1 0 M END