KEGG:C00220 Methylene blue ISISHOST03240423012D 1 1.00000 0.00000 218 21 22 0 0 0 999 V2000 -0.7276 -0.0138 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7276 0.8069 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0138 -0.5241 0.0000 S 0 3 0 0 0 0 0 0 0 -1.4379 -0.4276 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0138 1.2276 0.0000 N 0 0 0 0 0 0 0 0 0 -1.4379 1.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0.7069 -0.0172 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1414 -0.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0.7034 0.8103 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1414 0.8069 0.0000 C 0 0 0 0 0 0 0 0 0 1.4310 -0.4276 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8483 -0.4172 0.0000 N 0 0 3 0 0 0 0 0 0 1.4172 1.2379 0.0000 C 0 0 0 0 0 0 0 0 0 2.1552 -0.0103 0.0000 C 0 0 0 0 0 0 0 0 0 -3.5483 -0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8517 -1.2310 0.0000 C 0 0 0 0 0 0 0 0 0 2.1448 0.8276 0.0000 C 0 0 0 0 0 0 0 0 0 2.8621 -0.4138 0.0000 N 0 0 3 0 0 0 0 0 0 2.8655 -1.2241 0.0000 C 0 0 0 0 0 0 0 0 0 3.5621 0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0.0414 -2.2207 0.0000 Cl 0 5 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 2 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 4 8 2 0 0 0 5 9 1 0 0 0 6 10 2 0 0 0 7 11 1 0 0 0 8 12 1 0 0 0 9 13 1 0 0 0 11 14 2 0 0 0 12 15 1 0 0 0 12 16 1 0 0 0 13 17 2 0 0 0 14 18 1 0 0 0 18 19 1 0 0 0 18 20 1 0 0 0 7 9 2 0 0 0 8 10 1 0 0 0 14 17 1 0 0 0 M CHG 2 3 1 21 -1 M END