KEGG:C05727 Mercapturonate ISISHOST03240423132D 1 1.00000 0.00000 4848 11 10 0 0 0 999 V2000 -0.1448 0.8517 0.0000 C 0 0 3 0 0 0 0 0 0 -0.5966 -0.7310 0.0000 N 0 0 0 0 0 0 0 0 0 -1.0690 1.8517 0.0000 C 0 0 0 0 0 0 0 0 0 1.2172 0.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0.5621 -1.8897 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4379 1.8517 0.0000 S 0 0 0 0 0 0 0 0 0 1.8517 -0.4034 0.0000 O 0 0 0 0 0 0 0 0 0 1.9414 1.9621 0.0000 O 0 0 0 0 0 0 0 0 0 2.2000 -1.8897 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2586 -3.3069 0.0000 O 0 0 0 0 0 0 0 0 0 -3.2655 0.9069 0.0000 R 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 3 6 1 0 0 0 4 7 1 0 0 0 4 8 2 0 0 0 5 9 1 0 0 0 5 10 2 0 0 0 6 11 1 0 0 0 M END