RDKit 3 2 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 W 0 0 0 0 0 5 0 0 0 0 0 0 0.0000 0.0000 0.0000 W 0 0 0 0 0 2 0 0 0 0 0 0 1 2 3 0 2 3 2 0 M CHG 2 1 1 3 -1 M END > 102601578 > 12070-13-2 $$$$