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请教各位虫友，如何将excel文件转换成sdf格式的文件？谢谢大家！！！ 已有1人参与
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把excel的产品目录格式如何转换成.sdf格式？ Structure Data Format (SDF) is a chemical file formats to represent multiple chemical structure records and associated data fields. SDF was developed and published by Molecular Design Limited (MDL) and became the the most widely used standard for importing and exporting information on chemicals. Below is a sample chemical record in SDF format: -CPSS- 0804941117 13 14 0 0 0 0 0 0 0 0 0 0.8400 -0.1600 0.0000 N 0 0 0 0 0 0 0 0 1.4800 0.4300 0.0000 N 0 0 0 0 0 0 0 0 0.0900 0.2700 0.0000 N 0 0 0 0 0 0 0 0 1.1100 1.2100 0.0000 C 0 0 0 0 0 0 0 0 0.2700 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0.8400 -1.0300 0.0000 C 0 0 0 0 0 0 0 0 1.5300 1.9900 0.0000 C 0 0 0 0 0 0 0 0 1.0700 2.7400 0.0000 Cl 0 0 0 0 0 0 0 0 1.5900 -1.4600 0.0000 C 0 0 0 0 0 0 0 0 0.0800 -1.4600 0.0000 C 0 0 0 0 0 0 0 0 1.5900 -2.3300 0.0000 C 0 0 0 0 0 0 0 0 0.0700 -2.3200 0.0000 C 0 0 0 0 0 0 0 0 0.8400 -2.7600 0.0000 C 0 0 0 0 0 0 0 0 2 1 1 0 2 0 0 3 1 1 0 2 0 0 4 2 2 0 2 0 0 5 3 2 0 2 0 0 6 1 1 0 2 0 0 7 4 1 0 2 0 0 8 7 1 0 2 0 0 9 6 1 0 1 0 0 10 6 2 0 1 0 0 11 9 2 0 1 0 0 12 10 1 0 1 0 0 13 12 2 0 1 0 0 4 5 1 0 2 0 0 13 11 1 0 1 0 0 > <Sample Ref.> OC101-12 > <Melting Point> 41.00 - 43.00 > <B1 Record No.> 304 > <ID> 304 $$$$ Resources on SDF |
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2楼2018-03-31 21:23:35