Chemical Library Compound Manager
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  Input RTF Files:  Upload multiple SciFinder Rich Text Format files by ctrl/cmd or shift and click   Reject Chiral  Exclude compounds that have explicit chirality as evidenced by S, R, L-, or D-in the name Yes No
  Reject Isotopes  Exclude compounds that are stable (or radio-) isotopes, as evidenced by sub- or superscripting of text in their names, or d or t. Yes No   Reject Geometric  Exclude compounds that have explicit geometric bond conformation as evidenced by trans, cis, E or Z in their names Yes No
  Reject Components  Exclude compounds that are composites, as evidenced by the word 'Component' in the record. Yes No   Reject Salts  Exclude compounds that have common cations or anions in their names (select No if searching for organometallic compounds, acyl halides, etc.) Excludes 'salt', 'ium', 'ide' and 'ate' Yes No
  Require Name Contains:  Enter a comma-separated list of words or word fragments which must be present for a compound to be selected. A,B means A and B must be present. A|B means either A or B must be present. A|B, C means A or B must be present, and C. Accepts regular expressions. Leave blank to allow all entries. Matching is case-sensitive.   Reject if Name Contains:  Enter a comma-separated list of words or word fragments, any of which, if present, will cause a compound to be excluded. Accepts regular expressions. Matching is case-sensitive.
  Input HTML Files:  Upload and merge multiple files created by this site    Placeholder for additional options Yes No
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    InstructionsTo create a file to be uploaded to this page, perform a SciFinder similarity search for compounds related to your desired library prototype compound. On the results page, select the checkboxes corresponding to your desired degree of similarity, and click Submit. Refine your search (left side) by commercial availability, selecting compounds that are commercially available, and click Refine. Sort the pages that result by commercial availability (top left). Click Export (top right) and in the window that appears, select Rich Text Format, range 1-500 (or some other range, like 501-1000), uncheck Key Physical Properties, add a descriptive file name and click Export.     Regular Expression Notes\d = digit; \D = not digit; \w = alphanumeric; \W = not alphanumeric; [-mep\d] = any of -, m, e, p or a digit; [^-mep\d] = not any of -, m, e, p or a digit; + = 1 or more of the preceding character; * = 0 or more; ? = optional; \d+?\W = \d*\W = 0 or more digits followed by a non-alphanumeric; \Wamino = non-alphanumeric followed by 'amino' (e.g. '(amino', '-amino'); [\d+] = a digit or a plus sign; [\d]+ = \d+. Patterns beginning with ^ match only at the beginning, patterns ending with $ match only at the end. All matches are case-insensitive.