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1 Intrinsic Aqueous Solubility Prediction Scoring Sheet Code Name ...
https://www-jmg.ch.cam.ac.uk/data/solubility/pss.pdf3 Apr 2008: OH. O. 23 (1R, 2R)-(-)- Pseudoephedrine and enantiomer. NH. OH. 24 Probenecid. -
100 data
https://www-jmg.ch.cam.ac.uk/data/solubility/soldata.xls15 Apr 2008: 26-27H,(H,19,22)(H,24,25)/b21-20+. sulfathiazole. 25.59. ... b17-9-/t25-/m1/s1. sulindac_form_II. 24.83. 19. 0.15972. -
100 data
https://www-jmg.ch.cam.ac.uk/data/solubility/soldataswap.xls5 Aug 2008: 26-27H,(H,19,22)(H,24,25)/b21-20+. sulfathiazole. 25.59. ... b17-9-/t25-/m1/s1. sulindac_form_II. 24.83. 19. 0.15972. -
9,10 dimethoxy[7]helicene
https://www-jmg.ch.cam.ac.uk/data/molecules/misc/helicene.html6 May 2024: 2)18-16-22-14-12-20-8-4-6-10-24(20)28(22)30/h3-18H,1-2H3. ... AuxInfo=1/0/N:21,22,34,28,32,30,33,27,31,29,13,7,14,8,24,26,23,25,18,12,15,9,17,11,6,3,16, -
abietic acid
https://www-jmg.ch.cam.ac.uk/data/molecules/misc/abietic_acid.html6 May 2024: 2,11,15,12,9,10,4,22,5,3,23,24/E:(1,2)(21,22)/it:im/rA:24nCCCCCCCCCCCCCCCCCHHCCCOO/rB:s1;s2;s3;s4;s1s5;s4;s7;d8;s5s9; -
Alkane Global Minima
https://www-jmg.ch.cam.ac.uk/stuff/alkanes/short.html6 Jan 2011: Formula. Energy. Structure. Formula. Energy. Structure. C. 11. H. 24. 28.11. ... 16. 17.24. C. 3. H. 8. 6.27. C. 8. H. 18. -
amphidinoketide I
https://www-jmg.ch.cam.ac.uk/data/molecules/polyketides/amphidinoketideI.html6 May 2024: 24(28)19(5)15-22(26)12-11-21(25)13-17(2)3/h7,13,18-20H,1,8-12,14-16H2,2-6H3/t18-,19+,20+/m0/s1. ... 24/E:(2,3)/it:im/rA:28nCCCCCCCCCCCCCCCCCCCCCOCOCOOC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;d18;s19;N6;d8;P9; -
Announcement of a Competition to Predict Aqueous Solubility
https://www-jmg.ch.cam.ac.uk/data/solubility/pss.doc3 Apr 2008: 24 Probenecid. 25 Pyrimethamine. 26 Salicylic acid. 27 Sulfamerazine. 28 Sulfamethizole. -
APPENDIX 2 XED/COSMIC ATOM TYPES XED/Cosmic Atom Types - ...
https://www-jmg.ch.cam.ac.uk/cil/SGTL/xed/xa2_typ.html8 Nov 2010: 7. 23. N sp(CN). triple. 1. Nitrile only. 8. 24. O (PO &SO). -
APPENDIX 5 FILE FORMATS 17.108 25 25 Ethyl Sulphonamide ...
https://www-jmg.ch.cam.ac.uk/cil/SGTL/xed/xa5_fmt.html8 Nov 2010: 7 21 9 22 10 23 12 24 13 25. 6 5.174075 5.365369 1.431309 1 -0.1027. ... 16 8.635511 3.939991 -0.025040 12 0.3431. 8 9.054147 2.977788 0.946559 24 -0.2967.
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