EXAMPLE TDT FROM SPRESI95:
$SMI<"CC1(OC1c2ccccc2)S(=O)(=O)c3ccccc3>>CC(=O)C(Br)c1ccccc1">
AMAP<5,1,3,2,6,10,14,18,15,11,,,,,,,,,,5,1,3,2,,6,10,14,18,15,11>
CL<5117;66;;0.0780>
FP<30.mgK,U2.NJWQk38.g.8V1Acvl,A0oV7lW3kE,.EAF0b.4...1;2048;191;256;112;1;S95>
$RNO<344936>
ISM<"CC1(OC1c2ccccc2)S(=O)(=O)c3ccccc3>Br[Mg]Br>CC(=O)C(Br)c1ccccc1">
SRC<VINITI81;0226931704>
JA<ALPHA,BETA-EPOXY-SULFOXIDE UND -SULFONE SYNTHESE UND EINIGE
REAKTIONEN.; DURST T., TIN K., REINACH-HIRTZBACH F. DE, DECESARE J. M.,
RYAN M. D.; CAN. J. CHEM., 1979, 57, NO 3, 258-266; 1979; ENG; 000003-80>
YLD<95;CC1(OC1c2ccccc2)S(=O)(=O)c3ccccc3;CC(=O)C(Br)c1ccccc1>
$RMOL<CC1(OC1c2ccccc2)S(=O)(=O)c3ccccc3>
$AMOL<Br[Mg]Br>
$PMOL<CC(=O)C(Br)c1ccccc1>
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