KEGG:C01690 Diclofenac ISISHOST03240423042D 1 1.00000 0.00000 1546 19 20 0 0 0 999 V2000 0.7414 0.4069 0.0000 C 0 0 0 0 0 0 0 0 0 1.1241 -0.2448 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2517 0.4069 0.0000 N 0 0 0 0 0 0 0 0 0 1.1172 1.0655 0.0000 C 0 0 0 0 0 0 0 0 0 1.8759 -0.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0.7552 -0.8966 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0931 0.4172 0.0000 C 0 0 0 0 0 0 0 0 0 1.8793 1.0724 0.0000 C 0 0 0 0 0 0 0 0 0 2.2517 0.4172 0.0000 C 0 0 0 0 0 0 0 0 0 1.1345 -1.5448 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4690 -0.2414 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4690 1.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0.7621 -2.1966 0.0000 O 0 0 0 0 0 0 0 0 0 1.8828 -1.5379 0.0000 O 0 0 0 0 0 0 0 0 0 -2.2207 -0.2448 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0931 -0.8897 0.0000 Cl 0 0 0 0 0 0 0 0 0 -2.2276 1.0655 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0931 1.7207 0.0000 Cl 0 0 0 0 0 0 0 0 0 -2.6069 0.4069 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 2 0 0 0 2 5 2 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 4 8 1 0 0 0 5 9 1 0 0 0 6 10 1 0 0 0 7 11 1 0 0 0 7 12 2 0 0 0 10 13 1 0 0 0 10 14 2 0 0 0 11 15 2 0 0 0 11 16 1 0 0 0 12 17 1 0 0 0 12 18 1 0 0 0 15 19 1 0 0 0 8 9 2 0 0 0 17 19 2 0 0 0 M END