@datagrok/sequence-translator 1.0.17 → 1.1.4

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (100) hide show
  1. package/.eslintrc.json +4 -3
  2. package/CHANGELOG.md +36 -0
  3. package/detectors.js +8 -0
  4. package/dist/package-test.js +2 -73079
  5. package/dist/package-test.js.map +1 -0
  6. package/dist/package.js +2 -72284
  7. package/dist/package.js.map +1 -0
  8. package/files/axolabs-style.json +97 -0
  9. package/files/codes-to-symbols.json +67 -0
  10. package/files/formats-to-helm.json +63 -0
  11. package/files/linkers.json +22 -0
  12. package/files/monomer-lib.json +1142 -0
  13. package/link-bio +7 -0
  14. package/package.json +30 -31
  15. package/scripts/build-monomer-lib.py +391 -122
  16. package/src/demo/demo-st-ui.ts +71 -0
  17. package/src/demo/handle-error.ts +12 -0
  18. package/src/model/axolabs/axolabs-tab.ts +111 -0
  19. package/src/model/axolabs/const.ts +33 -0
  20. package/src/{axolabs-tab → model/axolabs}/draw-svg.ts +1 -1
  21. package/src/{axolabs-tab → model/axolabs}/helpers.ts +7 -5
  22. package/src/model/const.ts +18 -0
  23. package/src/model/data-loading-utils/const.ts +8 -0
  24. package/src/model/data-loading-utils/json-loader.ts +38 -0
  25. package/src/model/data-loading-utils/types.ts +30 -0
  26. package/src/model/format-translation/const.ts +8 -0
  27. package/src/model/format-translation/conversion-utils.ts +49 -0
  28. package/src/model/format-translation/format-converter.ts +109 -0
  29. package/src/model/helpers.ts +12 -0
  30. package/src/model/monomer-lib/const.ts +3 -0
  31. package/src/model/monomer-lib/lib-wrapper.ts +119 -0
  32. package/src/model/parsing-validation/format-detector.ts +57 -0
  33. package/src/model/parsing-validation/sequence-validator.ts +52 -0
  34. package/src/model/sequence-to-structure-utils/const.ts +1 -0
  35. package/src/{utils/structures-works → model/sequence-to-structure-utils}/mol-transformations.ts +33 -41
  36. package/src/model/sequence-to-structure-utils/monomer-code-parser.ts +92 -0
  37. package/src/model/sequence-to-structure-utils/sdf-tab.ts +97 -0
  38. package/src/model/sequence-to-structure-utils/sequence-to-molfile.ts +409 -0
  39. package/src/package-test.ts +3 -1
  40. package/src/package.ts +113 -91
  41. package/src/tests/const.ts +24 -0
  42. package/src/tests/formats-support.ts +40 -0
  43. package/src/tests/formats-to-helm.ts +53 -0
  44. package/src/tests/helm-to-nucleotides.ts +28 -0
  45. package/src/view/const/main-tab.ts +3 -0
  46. package/src/view/const/view.ts +10 -0
  47. package/src/view/css/axolabs-tab.css +1 -0
  48. package/src/view/css/colored-text-input.css +27 -0
  49. package/src/view/css/main-tab.css +46 -0
  50. package/src/view/css/sdf-tab.css +39 -0
  51. package/src/view/monomer-lib-viewer/viewer.ts +22 -0
  52. package/src/view/tabs/axolabs.ts +719 -0
  53. package/src/view/tabs/main.ts +174 -0
  54. package/src/view/tabs/sdf.ts +193 -0
  55. package/src/view/utils/app-info-dialog.ts +18 -0
  56. package/src/view/utils/colored-input/colored-text-input.ts +56 -0
  57. package/src/view/utils/colored-input/input-painters.ts +44 -0
  58. package/src/view/utils/draw-molecule.ts +86 -0
  59. package/src/view/utils/molecule-img.ts +106 -0
  60. package/src/view/view.ts +127 -0
  61. package/tsconfig.json +12 -18
  62. package/webpack.config.js +17 -4
  63. package/README.md +0 -84
  64. package/css/style.css +0 -18
  65. package/img/Sequence Translator Axolabs.png +0 -0
  66. package/jest.config.js +0 -33
  67. package/setup-unlink-clean.cmd +0 -14
  68. package/setup-unlink-clean.sh +0 -21
  69. package/setup.cmd +0 -14
  70. package/setup.sh +0 -37
  71. package/src/__jest__/remote.test.ts +0 -77
  72. package/src/__jest__/test-node.ts +0 -97
  73. package/src/apps/oligo-sd-file-app.ts +0 -58
  74. package/src/autostart/calculations.ts +0 -40
  75. package/src/autostart/constants.ts +0 -37
  76. package/src/autostart/registration.ts +0 -306
  77. package/src/axolabs-tab/axolabs-tab.ts +0 -873
  78. package/src/axolabs-tab/define-pattern.ts +0 -874
  79. package/src/hardcode-to-be-eliminated/ICDs.ts +0 -3
  80. package/src/hardcode-to-be-eliminated/IDPs.ts +0 -3
  81. package/src/hardcode-to-be-eliminated/const.ts +0 -5
  82. package/src/hardcode-to-be-eliminated/constants.ts +0 -101
  83. package/src/hardcode-to-be-eliminated/converters.ts +0 -323
  84. package/src/hardcode-to-be-eliminated/map.ts +0 -720
  85. package/src/hardcode-to-be-eliminated/salts.ts +0 -2
  86. package/src/hardcode-to-be-eliminated/sources.ts +0 -3
  87. package/src/hardcode-to-be-eliminated/users.ts +0 -3
  88. package/src/main-tab/main-tab.ts +0 -210
  89. package/src/sdf-tab/sdf-tab.ts +0 -163
  90. package/src/sdf-tab/sequence-codes-tools.ts +0 -347
  91. package/src/tests/smiles-tests.ts +0 -458
  92. package/src/utils/const.ts +0 -0
  93. package/src/utils/helpers.ts +0 -28
  94. package/src/utils/parse.ts +0 -27
  95. package/src/utils/sdf-add-columns.ts +0 -118
  96. package/src/utils/sdf-save-table.ts +0 -56
  97. package/src/utils/structures-works/draw-molecule.ts +0 -84
  98. package/src/utils/structures-works/from-monomers.ts +0 -266
  99. package/test-SequenceTranslator-6288c2fbe346-695b7b55.html +0 -259
  100. package/vendors/openchemlib-full.js +0 -293
@@ -0,0 +1,1142 @@
1
+ [
2
+ {
3
+ "symbol": "(GalNAc)",
4
+ "name": "GalNAc",
5
+ "molfile": "\nDatagrok monomer library Nucleotides MODIFICATION|GalNAc2\n\n 0 0 0 0 0 0 0 0 0 0999 V3000\nM V30 BEGIN CTAB\nM V30 COUNTS 111 113 0 0 0\nM V30 BEGIN ATOM\nM V30 1 O -20.731300 -0.702700 0.000000 0\nM V30 2 C -19.397600 0.067300 0.000000 0\nM V30 3 C -18.063800 -0.702700 0.000000 0\nM V30 4 C -16.730300 0.067300 0.000000 0\nM V30 5 N -15.396500 -0.702700 0.000000 0\nM V30 6 C -14.062800 0.067300 0.000000 0\nM V30 7 C -12.729300 -0.702700 0.000000 0\nM V30 8 C -11.395500 0.067300 0.000000 0\nM V30 9 C -10.062000 -0.702700 0.000000 0\nM V30 10 C -8.728300 0.067300 0.000000 0\nM V30 11 N -7.394700 -0.702700 0.000000 0\nM V30 12 O -18.063800 -2.242700 0.000000 0\nM V30 13 O -14.062800 1.607300 0.000000 0\nM V30 14 O -8.728300 1.607300 0.000000 0\nM V30 15 C -5.854700 -0.702700 0.000000 0\nM V30 16 C -5.854700 0.837300 0.000000 0\nM V30 17 C -5.854700 -2.242700 0.000000 0\nM V30 18 C -3.484800 -3.012700 0.000000 0\nM V30 19 C -2.454400 -4.157000 0.000000 0\nM V30 20 C -0.948000 -3.836800 0.000000 0\nM V30 21 N 0.082400 -4.981300 0.000000 0\nM V30 22 C 1.588800 -4.661200 0.000000 0\nM V30 23 C 2.619200 -5.805600 0.000000 0\nM V30 24 C 4.125600 -5.485500 0.000000 0\nM V30 25 N 5.156000 -6.629700 0.000000 0\nM V30 26 C 6.662400 -6.309600 0.000000 0\nM V30 27 C 7.692800 -7.454100 0.000000 0\nM V30 28 C 9.199200 -7.133900 0.000000 0\nM V30 29 C 10.229600 -8.278400 0.000000 0\nM V30 30 C 11.736000 -7.958300 0.000000 0\nM V30 31 O 12.766400 -9.102700 0.000000 0\nM V30 32 O -0.472200 -2.372300 0.000000 0\nM V30 33 O 7.138200 -4.845000 0.000000 0\nM V30 34 C 14.272800 -8.782400 0.000000 0\nM V30 35 C 15.303200 -9.926700 0.000000 0\nM V30 36 C 16.809800 -9.606500 0.000000 0\nM V30 37 C 17.285600 -8.142100 0.000000 0\nM V30 38 C 16.255200 -6.997500 0.000000 0\nM V30 39 O 14.748600 -7.317800 0.000000 0\nM V30 40 C 16.731200 -5.532900 0.000000 0\nM V30 41 O 18.791800 -7.821800 0.000000 0\nM V30 42 O 17.840400 -10.751000 0.000000 0\nM V30 43 N 14.827400 -11.391400 0.000000 0\nM V30 44 C 15.732500 -12.637200 0.000000 0\nM V30 45 C 15.256700 -14.101800 0.000000 0\nM V30 46 O 17.253700 -12.396300 0.000000 0\nM V30 47 O 18.262800 -5.372000 0.000000 0\nM V30 48 O -4.949400 -3.488500 0.000000 0\nM V30 49 C -4.521000 0.067300 0.000000 0\nM V30 50 C -1.941400 0.202600 0.000000 0\nM V30 51 C -0.607700 -0.567400 0.000000 0\nM V30 52 C 0.726000 0.202600 0.000000 0\nM V30 53 N 2.059600 -0.567400 0.000000 0\nM V30 54 C 3.393300 0.202600 0.000000 0\nM V30 55 C 4.727100 -0.567400 0.000000 0\nM V30 56 C 6.060600 0.202600 0.000000 0\nM V30 57 N 7.394300 -0.567400 0.000000 0\nM V30 58 C 8.728100 0.202600 0.000000 0\nM V30 59 C 10.061800 -0.567400 0.000000 0\nM V30 60 C 11.395300 0.202600 0.000000 0\nM V30 61 C 14.062800 0.202600 0.000000 0\nM V30 62 O 15.396400 -0.567400 0.000000 0\nM V30 63 O 0.726000 1.742600 0.000000 0\nM V30 64 O 8.728100 1.742600 0.000000 0\nM V30 65 C 16.730100 0.202600 0.000000 0\nM V30 66 C 18.063800 -0.567600 0.000000 0\nM V30 67 C 19.397600 0.202600 0.000000 0\nM V30 68 C 19.397400 1.742600 0.000000 0\nM V30 69 C 18.063800 2.512600 0.000000 0\nM V30 70 O 16.730100 1.742600 0.000000 0\nM V30 71 C 18.064000 4.052600 0.000000 0\nM V30 72 O 20.731100 2.512600 0.000000 0\nM V30 73 O 20.731300 -0.567400 0.000000 0\nM V30 74 N 18.063800 -2.107600 0.000000 0\nM V30 75 C 19.309600 -3.012700 0.000000 0\nM V30 76 C 19.309600 -4.552700 0.000000 0\nM V30 77 O 20.681800 -2.313500 0.000000 0\nM V30 78 O 19.470900 4.679100 0.000000 0\nM V30 79 O -3.187200 -0.702700 0.000000 0\nM V30 80 C 12.729100 -0.567400 0.000000 0\nM V30 81 C -3.919000 3.227700 0.000000 0\nM V30 82 C -2.412600 2.907600 0.000000 0\nM V30 83 C -1.382200 4.051900 0.000000 0\nM V30 84 N 0.124200 3.731700 0.000000 0\nM V30 85 C 1.154600 4.876200 0.000000 0\nM V30 86 C 2.661000 4.556100 0.000000 0\nM V30 87 C 3.691400 5.700500 0.000000 0\nM V30 88 N 5.197800 5.380400 0.000000 0\nM V30 89 C 6.228200 6.524800 0.000000 0\nM V30 90 C 7.734600 6.204500 0.000000 0\nM V30 91 C 8.765000 7.349000 0.000000 0\nM V30 92 C 10.271400 7.028800 0.000000 0\nM V30 93 C 11.301800 8.173300 0.000000 0\nM V30 94 O 12.808200 7.853200 0.000000 0\nM V30 95 O -1.858000 5.516700 0.000000 0\nM V30 96 O 5.752400 7.989400 0.000000 0\nM V30 97 C 13.838600 8.997600 0.000000 0\nM V30 98 C 15.345000 8.677300 0.000000 0\nM V30 99 C 16.375600 9.821900 0.000000 0\nM V30 100 C 15.899600 11.286300 0.000000 0\nM V30 101 C 14.393400 11.606800 0.000000 0\nM V30 102 O 13.362800 10.462200 0.000000 0\nM V30 103 C 13.917600 13.071400 0.000000 0\nM V30 104 O 16.930000 12.430800 0.000000 0\nM V30 105 O 17.882000 9.501800 0.000000 0\nM V30 106 N 15.820800 7.212700 0.000000 0\nM V30 107 C 17.285600 6.736700 0.000000 0\nM V30 108 C 17.761400 5.272100 0.000000 0\nM V30 109 O 18.374400 7.825700 0.000000 0\nM V30 110 O 15.062000 14.101800 0.000000 0\nM V30 111 O -4.824100 1.981700 0.000000 0\nM V30 END ATOM\nM V30 BEGIN BOND\nM V30 1 1 2 3\nM V30 2 1 3 4\nM V30 3 1 6 7\nM V30 4 1 7 8\nM V30 5 1 8 9\nM V30 6 1 9 10\nM V30 7 1 1 2\nM V30 8 1 3 12\nM V30 9 1 4 5\nM V30 10 1 5 6\nM V30 11 2 6 13\nM V30 12 1 10 11\nM V30 13 1 11 15\nM V30 14 1 15 16\nM V30 15 1 15 17\nM V30 16 2 10 14\nM V30 17 1 18 19\nM V30 18 1 19 20\nM V30 19 1 22 23\nM V30 20 1 23 24\nM V30 21 1 26 27\nM V30 22 1 27 28\nM V30 23 1 28 29\nM V30 24 1 29 30\nM V30 25 2 26 33\nM V30 26 2 20 32\nM V30 27 1 20 21\nM V30 28 1 21 22\nM V30 29 1 24 25\nM V30 30 1 25 26\nM V30 31 1 30 31\nM V30 32 1 31 34\nM V30 33 1 35 36\nM V30 34 1 36 37\nM V30 35 1 37 38\nM V30 36 1 34 35\nM V30 37 1 38 39\nM V30 38 1 34 39\nM V30 39 1 38 40\nM V30 40 1 35 43\nM V30 41 1 43 44\nM V30 42 1 44 45\nM V30 43 2 44 46\nM V30 44 1 36 42\nM V30 45 1 37 41\nM V30 46 1 40 47\nM V30 47 1 18 48\nM V30 48 1 15 49\nM V30 49 1 50 51\nM V30 50 1 51 52\nM V30 51 1 54 55\nM V30 52 1 55 56\nM V30 53 1 58 59\nM V30 54 1 59 60\nM V30 55 2 58 64\nM V30 56 2 52 63\nM V30 57 1 52 53\nM V30 58 1 53 54\nM V30 59 1 56 57\nM V30 60 1 57 58\nM V30 61 1 61 62\nM V30 62 1 62 65\nM V30 63 1 66 67\nM V30 64 1 67 68\nM V30 65 1 68 69\nM V30 66 1 65 66\nM V30 67 1 69 70\nM V30 68 1 65 70\nM V30 69 1 69 71\nM V30 70 1 66 74\nM V30 71 1 74 75\nM V30 72 1 75 76\nM V30 73 2 75 77\nM V30 74 1 67 73\nM V30 75 1 68 72\nM V30 76 1 71 78\nM V30 77 1 50 79\nM V30 78 1 49 79\nM V30 79 1 60 80\nM V30 80 1 80 61\nM V30 81 1 81 82\nM V30 82 1 82 83\nM V30 83 1 85 86\nM V30 84 1 86 87\nM V30 85 1 89 90\nM V30 86 1 90 91\nM V30 87 1 91 92\nM V30 88 1 92 93\nM V30 89 2 89 96\nM V30 90 2 83 95\nM V30 91 1 83 84\nM V30 92 1 84 85\nM V30 93 1 87 88\nM V30 94 1 88 89\nM V30 95 1 93 94\nM V30 96 1 94 97\nM V30 97 1 98 99\nM V30 98 1 99 100\nM V30 99 1 100 101\nM V30 100 1 97 98\nM V30 101 1 101 102\nM V30 102 1 97 102\nM V30 103 1 101 103\nM V30 104 1 98 106\nM V30 105 1 106 107\nM V30 106 1 107 108\nM V30 107 2 107 109\nM V30 108 1 99 105\nM V30 109 1 100 104\nM V30 110 1 103 110\nM V30 111 1 81 111\nM V30 112 1 16 111\nM V30 113 1 17 48\nM V30 END BOND\nM V30 END CTAB\nM END\n",
6
+ "author": "SequenceTranslator",
7
+ "id": 0,
8
+ "rgroups": [
9
+ {
10
+ "capGroupSmiles": "O[*:1]",
11
+ "alternateId": "R1-OH",
12
+ "capGroupName": "OH",
13
+ "label": "R1"
14
+ },
15
+ {
16
+ "capGroupSmiles": "O[*:2]",
17
+ "alternateId": "R2-OH",
18
+ "capGroupName": "OH",
19
+ "label": "R2"
20
+ }
21
+ ],
22
+ "smiles": "C(COCCC(=O)NCCCNC(=O)CCCCOC2OC(CO)C(O)C(O)C2NC(=O)C)(COCCC(=O)NCCCNC(=O)CCCCOC2OC(CO)C(O)C(O)C2NC(=O)C)(COCCC(=O)NCCCNC(=O)CCCCOC2OC(CO)C(O)C(O)C2NC(=O)C)NC(=O)CCCC(=O)NCC(O)CO",
23
+ "polymerType": "RNA",
24
+ "monomerType": "Backbone",
25
+ "createDate": null,
26
+ "meta": {
27
+ "molecularWeight": 1273.3
28
+ }
29
+ },
30
+ {
31
+ "symbol": "2'-fluoro-A",
32
+ "name": "2'-fluoro-A",
33
+ "molfile": "\nDatagrok monomer library Nucleotides|2'-fluoro-A\n\n 0 0 0 0 0 0 0 0 0 0999 V3000\nM V30 BEGIN CTAB\nM V30 COUNTS 19 21 0 0 0\nM V30 BEGIN ATOM\nM V30 1 O -2.526700 5.052800 0.000000 0\nM V30 2 C -2.526700 3.512800 0.000000 0\nM V30 3 C -1.193000 2.742800 0.000000 0 CFG=1\nM V30 4 O -1.032100 1.211200 0.000000 0\nM V30 5 C 0.474300 0.891000 0.000000 0 CFG=1\nM V30 6 N 1.100700 -0.515800 0.000000 0\nM V30 7 C 2.607000 -0.836000 0.000000 0\nM V30 8 N 3.852900 0.069200 0.000000 0\nM V30 9 C 5.259800 -0.557200 0.000000 0\nM V30 10 N 5.420700 -2.088800 0.000000 0\nM V30 11 C 4.174800 -2.993900 0.000000 0\nM V30 12 N 4.335800 -4.525500 0.000000 0\nM V30 13 C 2.767900 -2.367600 0.000000 0\nM V30 14 N 1.361100 -2.994000 0.000000 0\nM V30 15 C 0.330600 -1.849500 0.000000 0\nM V30 16 C 1.244300 2.224700 0.000000 0 CFG=2\nM V30 17 F 2.775900 2.385700 0.000000 0\nM V30 18 C 0.213800 3.369200 0.000000 0 CFG=2\nM V30 19 O 0.534000 4.875500 0.000000 0\nM V30 END ATOM\nM V30 BEGIN BOND\nM V30 1 1 1 2\nM V30 2 1 3 2 CFG=3\nM V30 3 1 3 4\nM V30 4 1 4 5\nM V30 5 1 5 6 CFG=3\nM V30 6 1 6 7\nM V30 7 2 7 8\nM V30 8 1 8 9\nM V30 9 2 9 10\nM V30 10 1 10 11\nM V30 11 1 11 12\nM V30 12 2 11 13\nM V30 13 1 13 14\nM V30 14 2 14 15\nM V30 15 1 5 16\nM V30 16 1 16 17 CFG=1\nM V30 17 1 16 18\nM V30 18 1 18 19 CFG=1\nM V30 19 1 18 3\nM V30 20 1 15 6\nM V30 21 1 13 7\nM V30 END BOND\nM V30 BEGIN COLLECTION\nM V30 MDLV30/STEABS ATOMS=(4 3 5 16 18)\nM V30 END COLLECTION\nM V30 END CTAB\nM END\n",
34
+ "author": "SequenceTranslator",
35
+ "id": 0,
36
+ "rgroups": [
37
+ {
38
+ "capGroupSmiles": "O[*:1]",
39
+ "alternateId": "R1-OH",
40
+ "capGroupName": "OH",
41
+ "label": "R1"
42
+ },
43
+ {
44
+ "capGroupSmiles": "O[*:2]",
45
+ "alternateId": "R2-OH",
46
+ "capGroupName": "OH",
47
+ "label": "R2"
48
+ }
49
+ ],
50
+ "smiles": "OC[C@H]1O[C@@H](N2C3N=CN=C(N)C=3N=C2)[C@H](F)[C@@H]1O",
51
+ "polymerType": "RNA",
52
+ "monomerType": "Backbone",
53
+ "createDate": null,
54
+ "meta": {
55
+ "molecularWeight": 331.2
56
+ }
57
+ },
58
+ {
59
+ "symbol": "2'-fluoro-A-ps",
60
+ "name": "2'-fluoro-A-ps",
61
+ "molfile": "\n RDKit 2D|2'-fluoro-A-ps\n\n 0 0 0 0 0 0 0 0 0 0999 V3000\nM V30 BEGIN CTAB\nM V30 COUNTS 23 25 0 0 0\nM V30 BEGIN ATOM\nM V30 1 O 7.608463 -3.729319 0.000000 0\nM V30 2 C 6.493746 -2.725623 0.000000 0\nM V30 3 C 5.067161 -3.189148 0.000000 0 CFG=1\nM V30 4 O 3.853636 -2.307470 0.000000 0\nM V30 5 C 2.640110 -3.189148 0.000000 0 CFG=1\nM V30 6 N 1.213525 -2.725623 0.000000 0\nM V30 7 C 0.750000 -1.299038 0.000000 0\nM V30 8 N 1.500000 0.000000 0.000000 0\nM V30 9 C 0.750000 1.299038 0.000000 0\nM V30 10 N -0.750000 1.299038 0.000000 0\nM V30 11 C -1.500000 0.000000 0.000000 0\nM V30 12 N -3.000000 0.000000 0.000000 0\nM V30 13 C -0.750000 -1.299038 0.000000 0\nM V30 14 N -1.213525 -2.725623 0.000000 0\nM V30 15 C 0.000000 -3.607301 0.000000 0\nM V30 16 C 3.103636 -4.615733 0.000000 0 CFG=2\nM V30 17 F 2.221958 -5.829259 0.000000 0\nM V30 18 C 4.603636 -4.615733 0.000000 0 CFG=2\nM V30 19 O 5.485314 -5.829259 0.000000 0\nM V30 20 P 4.875209 -7.199577 0.000000 0\nM V30 21 O 3.504890 -6.589472 0.000000 0\nM V30 22 S 4.265104 -8.569895 0.000000 0\nM V30 23 O 6.245527 -7.809682 0.000000 0\nM V30 END ATOM\nM V30 BEGIN BOND\nM V30 1 1 1 2\nM V30 2 1 3 2 CFG=3\nM V30 3 1 3 4\nM V30 4 1 4 5\nM V30 5 1 5 6 CFG=3\nM V30 6 1 6 7\nM V30 7 2 7 8\nM V30 8 1 8 9\nM V30 9 2 9 10\nM V30 10 1 10 11\nM V30 11 1 11 12\nM V30 12 2 11 13\nM V30 13 1 13 14\nM V30 14 2 14 15\nM V30 15 1 5 16\nM V30 16 1 16 17 CFG=1\nM V30 17 1 16 18\nM V30 18 1 18 19 CFG=1\nM V30 19 1 19 20\nM V30 20 2 20 21\nM V30 21 1 20 22\nM V30 22 1 20 23\nM V30 23 1 18 3\nM V30 24 1 15 6\nM V30 25 1 13 7\nM V30 END BOND\nM V30 BEGIN COLLECTION\nM V30 MDLV30/STEABS ATOMS=(4 3 5 16 18)\nM V30 END COLLECTION\nM V30 END CTAB\nM END\n",
62
+ "author": "SequenceTranslator",
63
+ "id": 0,
64
+ "rgroups": [
65
+ {
66
+ "capGroupSmiles": "O[*:1]",
67
+ "alternateId": "R1-OH",
68
+ "capGroupName": "OH",
69
+ "label": "R1"
70
+ },
71
+ {
72
+ "capGroupSmiles": "O[*:2]",
73
+ "alternateId": "R2-OH",
74
+ "capGroupName": "OH",
75
+ "label": "R2"
76
+ }
77
+ ],
78
+ "smiles": "OC[C@H]1O[C@@H](N2C3N=CN=C(N)C=3N=C2)[C@H](F)[C@@H]1OP(=O)(S)O",
79
+ "polymerType": "RNA",
80
+ "monomerType": "Backbone",
81
+ "createDate": null,
82
+ "meta": {
83
+ "molecularWeight": 347.27
84
+ }
85
+ },
86
+ {
87
+ "symbol": "2'-fluoro-C",
88
+ "name": "2'-fluoro-C",
89
+ "molfile": "\n RDKit 2D|2'-fluoro-C\n\n 0 0 0 0 0 0 0 0 0 0999 V3000\nM V30 BEGIN CTAB\nM V30 COUNTS 17 18 0 0 0\nM V30 BEGIN ATOM\nM V30 1 O 4.830761 -6.323978 0.000000 0\nM V30 2 C 4.673969 -4.832195 0.000000 0\nM V30 3 C 3.303650 -4.222090 0.000000 0 CFG=1\nM V30 4 O 2.991783 -2.754869 0.000000 0\nM V30 5 C 1.500000 -2.598076 0.000000 0 CFG=1\nM V30 6 N 0.750000 -1.299038 0.000000 0\nM V30 7 C 1.500000 0.000000 0.000000 0\nM V30 8 C 0.750000 1.299038 0.000000 0\nM V30 9 C -0.750000 1.299038 0.000000 0\nM V30 10 N -1.500000 2.598076 0.000000 0\nM V30 11 N -1.500000 0.000000 0.000000 0\nM V30 12 C -0.750000 -1.299038 0.000000 0\nM V30 13 O -1.500000 -2.598076 0.000000 0\nM V30 14 C 0.889895 -3.968394 0.000000 0 CFG=2\nM V30 15 F -0.577326 -4.280262 0.000000 0\nM V30 16 C 2.004612 -4.972090 0.000000 0 CFG=2\nM V30 17 O 1.847820 -6.463873 0.000000 0\nM V30 END ATOM\nM V30 BEGIN BOND\nM V30 1 1 1 2\nM V30 2 1 3 2 CFG=3\nM V30 3 1 3 4\nM V30 4 1 4 5\nM V30 5 1 5 6 CFG=3\nM V30 6 1 6 7\nM V30 7 2 7 8\nM V30 8 1 8 9\nM V30 9 1 9 10\nM V30 10 2 9 11\nM V30 11 1 11 12\nM V30 12 2 12 13\nM V30 13 1 5 14\nM V30 14 1 14 15 CFG=1\nM V30 15 1 14 16\nM V30 16 1 16 17 CFG=1\nM V30 17 1 16 3\nM V30 18 1 12 6\nM V30 END BOND\nM V30 BEGIN COLLECTION\nM V30 MDLV30/STEABS ATOMS=(4 3 5 14 16)\nM V30 END COLLECTION\nM V30 END CTAB\nM END\n",
90
+ "author": "SequenceTranslator",
91
+ "id": 0,
92
+ "rgroups": [
93
+ {
94
+ "capGroupSmiles": "O[*:1]",
95
+ "alternateId": "R1-OH",
96
+ "capGroupName": "OH",
97
+ "label": "R1"
98
+ },
99
+ {
100
+ "capGroupSmiles": "O[*:2]",
101
+ "alternateId": "R2-OH",
102
+ "capGroupName": "OH",
103
+ "label": "R2"
104
+ }
105
+ ],
106
+ "smiles": "OC[C@H]1O[C@@H](N2C=CC(N)=NC2(=O))[C@H](F)[C@@H]1O",
107
+ "polymerType": "RNA",
108
+ "monomerType": "Backbone",
109
+ "createDate": null,
110
+ "meta": {
111
+ "molecularWeight": 307.18
112
+ }
113
+ },
114
+ {
115
+ "symbol": "2'-fluoro-C-ps",
116
+ "name": "2'-fluoro-C-ps",
117
+ "molfile": "\n RDKit 2D|2'-fluoro-C-ps\n\n 0 0 0 0 0 0 0 0 0 0999 V3000\nM V30 BEGIN CTAB\nM V30 COUNTS 21 22 0 0 0\nM V30 BEGIN ATOM\nM V30 1 O 4.830761 -6.323978 0.000000 0\nM V30 2 C 4.673969 -4.832195 0.000000 0\nM V30 3 C 3.303650 -4.222090 0.000000 0 CFG=1\nM V30 4 O 2.991783 -2.754869 0.000000 0\nM V30 5 C 1.500000 -2.598076 0.000000 0 CFG=1\nM V30 6 N 0.750000 -1.299038 0.000000 0\nM V30 7 C 1.500000 0.000000 0.000000 0\nM V30 8 C 0.750000 1.299038 0.000000 0\nM V30 9 C -0.750000 1.299038 0.000000 0\nM V30 10 N -1.500000 2.598076 0.000000 0\nM V30 11 N -1.500000 0.000000 0.000000 0\nM V30 12 C -0.750000 -1.299038 0.000000 0\nM V30 13 O -1.500000 -2.598076 0.000000 0\nM V30 14 C 0.889895 -3.968394 0.000000 0 CFG=2\nM V30 15 F -0.577326 -4.280262 0.000000 0\nM V30 16 C 2.004612 -4.972090 0.000000 0 CFG=2\nM V30 17 O 1.847820 -6.463873 0.000000 0\nM V30 18 P 0.477501 -7.073978 0.000000 0\nM V30 19 O -0.132604 -5.703660 0.000000 0\nM V30 20 S -0.892817 -7.684083 0.000000 0\nM V30 21 O 1.087606 -8.444296 0.000000 0\nM V30 END ATOM\nM V30 BEGIN BOND\nM V30 1 1 1 2\nM V30 2 1 3 2 CFG=3\nM V30 3 1 3 4\nM V30 4 1 4 5\nM V30 5 1 5 6 CFG=3\nM V30 6 1 6 7\nM V30 7 2 7 8\nM V30 8 1 8 9\nM V30 9 1 9 10\nM V30 10 2 9 11\nM V30 11 1 11 12\nM V30 12 2 12 13\nM V30 13 1 5 14\nM V30 14 1 14 15 CFG=1\nM V30 15 1 14 16\nM V30 16 1 16 17 CFG=1\nM V30 17 1 17 18\nM V30 18 2 18 19\nM V30 19 1 18 20\nM V30 20 1 18 21\nM V30 21 1 16 3\nM V30 22 1 12 6\nM V30 END BOND\nM V30 BEGIN COLLECTION\nM V30 MDLV30/STEABS ATOMS=(4 3 5 14 16)\nM V30 END COLLECTION\nM V30 END CTAB\nM END\n",
118
+ "author": "SequenceTranslator",
119
+ "id": 0,
120
+ "rgroups": [
121
+ {
122
+ "capGroupSmiles": "O[*:1]",
123
+ "alternateId": "R1-OH",
124
+ "capGroupName": "OH",
125
+ "label": "R1"
126
+ },
127
+ {
128
+ "capGroupSmiles": "O[*:2]",
129
+ "alternateId": "R2-OH",
130
+ "capGroupName": "OH",
131
+ "label": "R2"
132
+ }
133
+ ],
134
+ "smiles": "OC[C@H]1O[C@@H](N2C=CC(N)=NC2(=O))[C@H](F)[C@@H]1OP(=O)(S)O",
135
+ "polymerType": "RNA",
136
+ "monomerType": "Backbone",
137
+ "createDate": null,
138
+ "meta": {
139
+ "molecularWeight": 323.25
140
+ }
141
+ },
142
+ {
143
+ "symbol": "2'-fluoro-G",
144
+ "name": "2'-fluoro-G",
145
+ "molfile": "\n RDKit 2D|2'-fluoro-G\n\n 0 0 0 0 0 0 0 0 0 0999 V3000\nM V30 BEGIN CTAB\nM V30 COUNTS 20 22 0 0 0\nM V30 BEGIN ATOM\nM V30 1 O -5.603144 -5.333656 0.000000 0\nM V30 2 C -4.135922 -5.021788 0.000000 0\nM V30 3 C -3.672397 -3.595203 0.000000 0 CFG=1\nM V30 4 O -2.245812 -3.131678 0.000000 0\nM V30 5 C -2.245812 -1.631678 0.000000 0 CFG=1\nM V30 6 N -1.032286 -0.750000 0.000000 0\nM V30 7 C -1.032286 0.750000 0.000000 0\nM V30 8 N -2.147004 1.753696 0.000000 0\nM V30 9 C -1.835136 3.220917 0.000000 0\nM V30 10 N -2.949853 4.224613 0.000000 0\nM V30 11 N -0.408551 3.684443 0.000000 0\nM V30 12 C 0.706166 2.680747 0.000000 0\nM V30 13 O 2.132751 3.144272 0.000000 0\nM V30 14 C 0.394298 1.213525 0.000000 0\nM V30 15 N 1.275976 0.000000 0.000000 0\nM V30 16 C 0.394298 -1.213525 0.000000 0\nM V30 17 C -3.672397 -1.168152 0.000000 0 CFG=2\nM V30 18 F -4.135922 0.258432 0.000000 0\nM V30 19 C -4.554075 -2.381678 0.000000 0 CFG=2\nM V30 20 O -6.054075 -2.381678 0.000000 0\nM V30 END ATOM\nM V30 BEGIN BOND\nM V30 1 1 1 2\nM V30 2 1 3 2 CFG=3\nM V30 3 1 3 4\nM V30 4 1 4 5\nM V30 5 1 5 6 CFG=3\nM V30 6 1 6 7\nM V30 7 1 7 8\nM V30 8 2 8 9\nM V30 9 1 9 10\nM V30 10 1 9 11\nM V30 11 1 11 12\nM V30 12 2 12 13\nM V30 13 1 12 14\nM V30 14 1 14 15\nM V30 15 2 15 16\nM V30 16 1 5 17\nM V30 17 1 17 18 CFG=1\nM V30 18 1 17 19\nM V30 19 1 19 20 CFG=1\nM V30 20 1 19 3\nM V30 21 1 16 6\nM V30 22 2 14 7\nM V30 END BOND\nM V30 BEGIN COLLECTION\nM V30 MDLV30/STEABS ATOMS=(4 3 5 17 19)\nM V30 END COLLECTION\nM V30 END CTAB\nM END\n",
146
+ "author": "SequenceTranslator",
147
+ "id": 0,
148
+ "rgroups": [
149
+ {
150
+ "capGroupSmiles": "O[*:1]",
151
+ "alternateId": "R1-OH",
152
+ "capGroupName": "OH",
153
+ "label": "R1"
154
+ },
155
+ {
156
+ "capGroupSmiles": "O[*:2]",
157
+ "alternateId": "R2-OH",
158
+ "capGroupName": "OH",
159
+ "label": "R2"
160
+ }
161
+ ],
162
+ "smiles": "OC[C@H]1O[C@@H](N2C3N=C(N)NC(=O)C=3N=C2)[C@H](F)[C@@H]1O",
163
+ "polymerType": "RNA",
164
+ "monomerType": "Backbone",
165
+ "createDate": null,
166
+ "meta": {
167
+ "molecularWeight": 347.19
168
+ }
169
+ },
170
+ {
171
+ "symbol": "2'-fluoro-G-ps",
172
+ "name": "2'-fluoro-G-ps",
173
+ "molfile": "\n RDKit 2D|2'-fluoro-G-ps\n\n 0 0 0 0 0 0 0 0 0 0999 V3000\nM V30 BEGIN CTAB\nM V30 COUNTS 24 26 0 0 0\nM V30 BEGIN ATOM\nM V30 1 O -5.603144 -5.333656 0.000000 0\nM V30 2 C -4.135922 -5.021788 0.000000 0\nM V30 3 C -3.672397 -3.595203 0.000000 0 CFG=1\nM V30 4 O -2.245812 -3.131678 0.000000 0\nM V30 5 C -2.245812 -1.631678 0.000000 0 CFG=1\nM V30 6 N -1.032286 -0.750000 0.000000 0\nM V30 7 C -1.032286 0.750000 0.000000 0\nM V30 8 N -2.147004 1.753696 0.000000 0\nM V30 9 C -1.835136 3.220917 0.000000 0\nM V30 10 N -2.949853 4.224613 0.000000 0\nM V30 11 N -0.408551 3.684443 0.000000 0\nM V30 12 C 0.706166 2.680747 0.000000 0\nM V30 13 O 2.132751 3.144272 0.000000 0\nM V30 14 C 0.394298 1.213525 0.000000 0\nM V30 15 N 1.275976 0.000000 0.000000 0\nM V30 16 C 0.394298 -1.213525 0.000000 0\nM V30 17 C -3.672397 -1.168152 0.000000 0 CFG=2\nM V30 18 F -4.135922 0.258432 0.000000 0\nM V30 19 C -4.554075 -2.381678 0.000000 0 CFG=2\nM V30 20 O -6.054075 -2.381678 0.000000 0\nM V30 21 P -6.804075 -1.082640 0.000000 0\nM V30 22 O -5.505036 -0.332640 0.000000 0\nM V30 23 S -7.554075 0.216398 0.000000 0\nM V30 24 O -8.103113 -1.832640 0.000000 0\nM V30 END ATOM\nM V30 BEGIN BOND\nM V30 1 1 1 2\nM V30 2 1 3 2 CFG=3\nM V30 3 1 3 4\nM V30 4 1 4 5\nM V30 5 1 5 6 CFG=3\nM V30 6 1 6 7\nM V30 7 1 7 8\nM V30 8 2 8 9\nM V30 9 1 9 10\nM V30 10 1 9 11\nM V30 11 1 11 12\nM V30 12 2 12 13\nM V30 13 1 12 14\nM V30 14 1 14 15\nM V30 15 2 15 16\nM V30 16 1 5 17\nM V30 17 1 17 18 CFG=1\nM V30 18 1 17 19\nM V30 19 1 19 20 CFG=1\nM V30 20 1 20 21\nM V30 21 2 21 22\nM V30 22 1 21 23\nM V30 23 1 21 24\nM V30 24 1 19 3\nM V30 25 1 16 6\nM V30 26 2 14 7\nM V30 END BOND\nM V30 BEGIN COLLECTION\nM V30 MDLV30/STEABS ATOMS=(4 3 5 17 19)\nM V30 END COLLECTION\nM V30 END CTAB\nM END\n",
174
+ "author": "SequenceTranslator",
175
+ "id": 0,
176
+ "rgroups": [
177
+ {
178
+ "capGroupSmiles": "O[*:1]",
179
+ "alternateId": "R1-OH",
180
+ "capGroupName": "OH",
181
+ "label": "R1"
182
+ },
183
+ {
184
+ "capGroupSmiles": "O[*:2]",
185
+ "alternateId": "R2-OH",
186
+ "capGroupName": "OH",
187
+ "label": "R2"
188
+ }
189
+ ],
190
+ "smiles": "OC[C@H]1O[C@@H](N2C3N=C(N)NC(=O)C=3N=C2)[C@H](F)[C@@H]1OP(=O)(S)O",
191
+ "polymerType": "RNA",
192
+ "monomerType": "Backbone",
193
+ "createDate": null,
194
+ "meta": {
195
+ "molecularWeight": 363.26
196
+ }
197
+ },
198
+ {
199
+ "symbol": "2'-fluoro-U",
200
+ "name": "2'-fluoro-U",
201
+ "molfile": "\n RDKit 2D|2'-fluoro-U\n\n 0 0 0 0 0 0 0 0 0 0999 V3000\nM V30 BEGIN CTAB\nM V30 COUNTS 17 18 0 0 0\nM V30 BEGIN ATOM\nM V30 1 O 4.830761 -6.323978 0.000000 0\nM V30 2 C 4.673969 -4.832195 0.000000 0\nM V30 3 C 3.303650 -4.222090 0.000000 0 CFG=1\nM V30 4 O 2.991783 -2.754869 0.000000 0\nM V30 5 C 1.500000 -2.598076 0.000000 0 CFG=1\nM V30 6 N 0.750000 -1.299038 0.000000 0\nM V30 7 C 1.500000 0.000000 0.000000 0\nM V30 8 C 0.750000 1.299038 0.000000 0\nM V30 9 C -0.750000 1.299038 0.000000 0\nM V30 10 O -1.500000 2.598076 0.000000 0\nM V30 11 N -1.500000 0.000000 0.000000 0\nM V30 12 C -0.750000 -1.299038 0.000000 0\nM V30 13 O -1.500000 -2.598076 0.000000 0\nM V30 14 C 0.889895 -3.968394 0.000000 0 CFG=2\nM V30 15 F -0.577326 -4.280262 0.000000 0\nM V30 16 C 2.004612 -4.972090 0.000000 0 CFG=2\nM V30 17 O 1.847820 -6.463873 0.000000 0\nM V30 END ATOM\nM V30 BEGIN BOND\nM V30 1 1 1 2\nM V30 2 1 3 2 CFG=3\nM V30 3 1 3 4\nM V30 4 1 4 5\nM V30 5 1 5 6 CFG=3\nM V30 6 1 6 7\nM V30 7 2 7 8\nM V30 8 1 8 9\nM V30 9 2 9 10\nM V30 10 1 9 11\nM V30 11 1 11 12\nM V30 12 2 12 13\nM V30 13 1 5 14\nM V30 14 1 14 15 CFG=1\nM V30 15 1 14 16\nM V30 16 1 16 17 CFG=1\nM V30 17 1 16 3\nM V30 18 1 12 6\nM V30 END BOND\nM V30 BEGIN COLLECTION\nM V30 MDLV30/STEABS ATOMS=(4 3 5 14 16)\nM V30 END COLLECTION\nM V30 END CTAB\nM END\n",
202
+ "author": "SequenceTranslator",
203
+ "id": 0,
204
+ "rgroups": [
205
+ {
206
+ "capGroupSmiles": "O[*:1]",
207
+ "alternateId": "R1-OH",
208
+ "capGroupName": "OH",
209
+ "label": "R1"
210
+ },
211
+ {
212
+ "capGroupSmiles": "O[*:2]",
213
+ "alternateId": "R2-OH",
214
+ "capGroupName": "OH",
215
+ "label": "R2"
216
+ }
217
+ ],
218
+ "smiles": "OC[C@H]1O[C@@H](N2C=CC(=O)NC2(=O))[C@H](F)[C@@H]1O",
219
+ "polymerType": "RNA",
220
+ "monomerType": "Backbone",
221
+ "createDate": null,
222
+ "meta": {
223
+ "molecularWeight": 308.16
224
+ }
225
+ },
226
+ {
227
+ "symbol": "2'-fluoro-U-ps",
228
+ "name": "2'-fluoro-U-ps",
229
+ "molfile": "\n RDKit 2D|2'-fluoro-U-ps\n\n 0 0 0 0 0 0 0 0 0 0999 V3000\nM V30 BEGIN CTAB\nM V30 COUNTS 21 22 0 0 0\nM V30 BEGIN ATOM\nM V30 1 O 4.830761 -6.323978 0.000000 0\nM V30 2 C 4.673969 -4.832195 0.000000 0\nM V30 3 C 3.303650 -4.222090 0.000000 0 CFG=1\nM V30 4 O 2.991783 -2.754869 0.000000 0\nM V30 5 C 1.500000 -2.598076 0.000000 0 CFG=1\nM V30 6 N 0.750000 -1.299038 0.000000 0\nM V30 7 C 1.500000 0.000000 0.000000 0\nM V30 8 C 0.750000 1.299038 0.000000 0\nM V30 9 C -0.750000 1.299038 0.000000 0\nM V30 10 O -1.500000 2.598076 0.000000 0\nM V30 11 N -1.500000 0.000000 0.000000 0\nM V30 12 C -0.750000 -1.299038 0.000000 0\nM V30 13 O -1.500000 -2.598076 0.000000 0\nM V30 14 C 0.889895 -3.968394 0.000000 0 CFG=2\nM V30 15 F -0.577326 -4.280262 0.000000 0\nM V30 16 C 2.004612 -4.972090 0.000000 0 CFG=2\nM V30 17 O 1.847820 -6.463873 0.000000 0\nM V30 18 P 0.477501 -7.073978 0.000000 0\nM V30 19 O -0.132604 -5.703660 0.000000 0\nM V30 20 S -0.892817 -7.684083 0.000000 0\nM V30 21 O 1.087606 -8.444296 0.000000 0\nM V30 END ATOM\nM V30 BEGIN BOND\nM V30 1 1 1 2\nM V30 2 1 3 2 CFG=3\nM V30 3 1 3 4\nM V30 4 1 4 5\nM V30 5 1 5 6 CFG=3\nM V30 6 1 6 7\nM V30 7 2 7 8\nM V30 8 1 8 9\nM V30 9 2 9 10\nM V30 10 1 9 11\nM V30 11 1 11 12\nM V30 12 2 12 13\nM V30 13 1 5 14\nM V30 14 1 14 15 CFG=1\nM V30 15 1 14 16\nM V30 16 1 16 17 CFG=1\nM V30 17 1 17 18\nM V30 18 2 18 19\nM V30 19 1 18 20\nM V30 20 1 18 21\nM V30 21 1 16 3\nM V30 22 1 12 6\nM V30 END BOND\nM V30 BEGIN COLLECTION\nM V30 MDLV30/STEABS ATOMS=(4 3 5 14 16)\nM V30 END COLLECTION\nM V30 END CTAB\nM END\n",
230
+ "author": "SequenceTranslator",
231
+ "id": 0,
232
+ "rgroups": [
233
+ {
234
+ "capGroupSmiles": "O[*:1]",
235
+ "alternateId": "R1-OH",
236
+ "capGroupName": "OH",
237
+ "label": "R1"
238
+ },
239
+ {
240
+ "capGroupSmiles": "O[*:2]",
241
+ "alternateId": "R2-OH",
242
+ "capGroupName": "OH",
243
+ "label": "R2"
244
+ }
245
+ ],
246
+ "smiles": "OC[C@H]1O[C@@H](N2C=CC(=O)NC2(=O))[C@H](F)[C@@H]1OP(=O)(S)O",
247
+ "polymerType": "RNA",
248
+ "monomerType": "Backbone",
249
+ "createDate": null,
250
+ "meta": {
251
+ "molecularWeight": 324.23
252
+ }
253
+ },
254
+ {
255
+ "symbol": "2'MOE-5Me-rC",
256
+ "name": "2'MOE-5Me-rC",
257
+ "molfile": "\n RDKit 2D|2'MOE-5Me-rC\n\n 0 0 0 0 0 0 0 0 0 0999 V3000\nM V30 BEGIN CTAB\nM V30 COUNTS 22 23 0 0 0\nM V30 BEGIN ATOM\nM V30 1 O 4.830761 -6.323978 0.000000 0\nM V30 2 C 4.673969 -4.832195 0.000000 0\nM V30 3 C 3.303650 -4.222090 0.000000 0 CFG=1\nM V30 4 O 2.991783 -2.754869 0.000000 0\nM V30 5 C 1.500000 -2.598076 0.000000 0 CFG=1\nM V30 6 N 0.750000 -1.299038 0.000000 0\nM V30 7 C 1.500000 0.000000 0.000000 0\nM V30 8 C 0.750000 1.299038 0.000000 0\nM V30 9 C 1.500000 2.598076 0.000000 0\nM V30 10 C -0.750000 1.299038 0.000000 0\nM V30 11 N -1.500000 2.598076 0.000000 0\nM V30 12 N -1.500000 0.000000 0.000000 0\nM V30 13 C -0.750000 -1.299038 0.000000 0\nM V30 14 O -1.500000 -2.598076 0.000000 0\nM V30 15 C 0.889895 -3.968394 0.000000 0 CFG=2\nM V30 16 O -0.577326 -4.280262 0.000000 0\nM V30 17 C -1.040852 -5.706847 0.000000 0\nM V30 18 C -2.508073 -6.018714 0.000000 0\nM V30 19 O -2.971599 -7.445299 0.000000 0\nM V30 20 C -4.438820 -7.757167 0.000000 0\nM V30 21 C 2.004612 -4.972090 0.000000 0 CFG=2\nM V30 22 O 1.847820 -6.463873 0.000000 0\nM V30 END ATOM\nM V30 BEGIN BOND\nM V30 1 1 1 2\nM V30 2 1 3 2 CFG=3\nM V30 3 1 3 4\nM V30 4 1 4 5\nM V30 5 1 5 6 CFG=3\nM V30 6 1 6 7\nM V30 7 2 7 8\nM V30 8 1 8 9\nM V30 9 1 8 10\nM V30 10 1 10 11\nM V30 11 2 10 12\nM V30 12 1 12 13\nM V30 13 2 13 14\nM V30 14 1 5 15\nM V30 15 1 15 16 CFG=1\nM V30 16 1 16 17\nM V30 17 1 17 18\nM V30 18 1 18 19\nM V30 19 1 19 20\nM V30 20 1 15 21\nM V30 21 1 21 22 CFG=1\nM V30 22 1 21 3\nM V30 23 1 13 6\nM V30 END BOND\nM V30 BEGIN COLLECTION\nM V30 MDLV30/STEABS ATOMS=(4 3 5 15 21)\nM V30 END COLLECTION\nM V30 END CTAB\nM END\n",
258
+ "author": "SequenceTranslator",
259
+ "id": 0,
260
+ "rgroups": [
261
+ {
262
+ "capGroupSmiles": "O[*:1]",
263
+ "alternateId": "R1-OH",
264
+ "capGroupName": "OH",
265
+ "label": "R1"
266
+ },
267
+ {
268
+ "capGroupSmiles": "O[*:2]",
269
+ "alternateId": "R2-OH",
270
+ "capGroupName": "OH",
271
+ "label": "R2"
272
+ }
273
+ ],
274
+ "smiles": "OC[C@H]1O[C@@H](N2C=C(C)C(N)=NC2(=O))[C@H](OCCOC)[C@@H]1O",
275
+ "polymerType": "RNA",
276
+ "monomerType": "Backbone",
277
+ "createDate": null,
278
+ "meta": {
279
+ "molecularWeight": 377.29
280
+ }
281
+ },
282
+ {
283
+ "symbol": "2'MOE-5Me-rU",
284
+ "name": "2'MOE-5Me-rU",
285
+ "molfile": "\n RDKit 2D|2'MOE-5Me-rU\n\n 0 0 0 0 0 0 0 0 0 0999 V3000\nM V30 BEGIN CTAB\nM V30 COUNTS 22 23 0 0 0\nM V30 BEGIN ATOM\nM V30 1 O 4.830761 -6.323978 0.000000 0\nM V30 2 C 4.673969 -4.832195 0.000000 0\nM V30 3 C 3.303650 -4.222090 0.000000 0 CFG=1\nM V30 4 O 2.991783 -2.754869 0.000000 0\nM V30 5 C 1.500000 -2.598076 0.000000 0 CFG=1\nM V30 6 N 0.750000 -1.299038 0.000000 0\nM V30 7 C 1.500000 0.000000 0.000000 0\nM V30 8 C 0.750000 1.299038 0.000000 0\nM V30 9 C 1.500000 2.598076 0.000000 0\nM V30 10 C -0.750000 1.299038 0.000000 0\nM V30 11 O -1.500000 2.598076 0.000000 0\nM V30 12 N -1.500000 0.000000 0.000000 0\nM V30 13 C -0.750000 -1.299038 0.000000 0\nM V30 14 O -1.500000 -2.598076 0.000000 0\nM V30 15 C 0.889895 -3.968394 0.000000 0 CFG=2\nM V30 16 O -0.577326 -4.280262 0.000000 0\nM V30 17 C -1.040852 -5.706847 0.000000 0\nM V30 18 C -2.508073 -6.018714 0.000000 0\nM V30 19 O -2.971599 -7.445299 0.000000 0\nM V30 20 C -4.438820 -7.757167 0.000000 0\nM V30 21 C 2.004612 -4.972090 0.000000 0 CFG=2\nM V30 22 O 1.847820 -6.463873 0.000000 0\nM V30 END ATOM\nM V30 BEGIN BOND\nM V30 1 1 1 2\nM V30 2 1 3 2 CFG=3\nM V30 3 1 3 4\nM V30 4 1 4 5\nM V30 5 1 5 6 CFG=3\nM V30 6 1 6 7\nM V30 7 2 7 8\nM V30 8 1 8 9\nM V30 9 1 8 10\nM V30 10 2 10 11\nM V30 11 1 10 12\nM V30 12 1 12 13\nM V30 13 2 13 14\nM V30 14 1 5 15\nM V30 15 1 15 16 CFG=1\nM V30 16 1 16 17\nM V30 17 1 17 18\nM V30 18 1 18 19\nM V30 19 1 19 20\nM V30 20 1 15 21\nM V30 21 1 21 22 CFG=1\nM V30 22 1 21 3\nM V30 23 1 13 6\nM V30 END BOND\nM V30 BEGIN COLLECTION\nM V30 MDLV30/STEABS ATOMS=(4 3 5 15 21)\nM V30 END COLLECTION\nM V30 END CTAB\nM END\n",
286
+ "author": "SequenceTranslator",
287
+ "id": 0,
288
+ "rgroups": [
289
+ {
290
+ "capGroupSmiles": "O[*:1]",
291
+ "alternateId": "R1-OH",
292
+ "capGroupName": "OH",
293
+ "label": "R1"
294
+ },
295
+ {
296
+ "capGroupSmiles": "O[*:2]",
297
+ "alternateId": "R2-OH",
298
+ "capGroupName": "OH",
299
+ "label": "R2"
300
+ }
301
+ ],
302
+ "smiles": "OC[C@H]1O[C@@H](N2C=C(C)C(=O)NC2(=O))[C@H](OCCOC)[C@@H]1O",
303
+ "polymerType": "RNA",
304
+ "monomerType": "Backbone",
305
+ "createDate": null,
306
+ "meta": {
307
+ "molecularWeight": 378.27
308
+ }
309
+ },
310
+ {
311
+ "symbol": "2'MOE-rA",
312
+ "name": "2'MOE-rA",
313
+ "molfile": "\n RDKit 2D|2'MOE-rA\n\n 0 0 0 0 0 0 0 0 0 0999 V3000\nM V30 BEGIN CTAB\nM V30 COUNTS 23 25 0 0 0\nM V30 BEGIN ATOM\nM V30 1 O 7.608463 -3.729319 0.000000 0\nM V30 2 C 6.493746 -2.725623 0.000000 0\nM V30 3 C 5.067161 -3.189148 0.000000 0 CFG=1\nM V30 4 O 3.853636 -2.307470 0.000000 0\nM V30 5 C 2.640110 -3.189148 0.000000 0 CFG=1\nM V30 6 N 1.213525 -2.725623 0.000000 0\nM V30 7 C 0.750000 -1.299038 0.000000 0\nM V30 8 N 1.500000 0.000000 0.000000 0\nM V30 9 C 0.750000 1.299038 0.000000 0\nM V30 10 N -0.750000 1.299038 0.000000 0\nM V30 11 C -1.500000 0.000000 0.000000 0\nM V30 12 N -3.000000 0.000000 0.000000 0\nM V30 13 C -0.750000 -1.299038 0.000000 0\nM V30 14 N -1.213525 -2.725623 0.000000 0\nM V30 15 C 0.000000 -3.607301 0.000000 0\nM V30 16 C 3.103636 -4.615733 0.000000 0 CFG=2\nM V30 17 O 2.221958 -5.829259 0.000000 0\nM V30 18 C 2.832063 -7.199577 0.000000 0\nM V30 19 C 1.950385 -8.413102 0.000000 0\nM V30 20 O 2.560490 -9.783421 0.000000 0\nM V30 21 C 1.678812 -10.996946 0.000000 0\nM V30 22 C 4.603636 -4.615733 0.000000 0 CFG=2\nM V30 23 O 5.485314 -5.829259 0.000000 0\nM V30 END ATOM\nM V30 BEGIN BOND\nM V30 1 1 1 2\nM V30 2 1 3 2 CFG=3\nM V30 3 1 3 4\nM V30 4 1 4 5\nM V30 5 1 5 6 CFG=3\nM V30 6 1 6 7\nM V30 7 2 7 8\nM V30 8 1 8 9\nM V30 9 2 9 10\nM V30 10 1 10 11\nM V30 11 1 11 12\nM V30 12 2 11 13\nM V30 13 1 13 14\nM V30 14 2 14 15\nM V30 15 1 5 16\nM V30 16 1 16 17 CFG=1\nM V30 17 1 17 18\nM V30 18 1 18 19\nM V30 19 1 19 20\nM V30 20 1 20 21\nM V30 21 1 16 22\nM V30 22 1 22 23 CFG=1\nM V30 23 1 22 3\nM V30 24 1 15 6\nM V30 25 1 13 7\nM V30 END BOND\nM V30 BEGIN COLLECTION\nM V30 MDLV30/STEABS ATOMS=(4 3 5 16 22)\nM V30 END COLLECTION\nM V30 END CTAB\nM END\n",
314
+ "author": "SequenceTranslator",
315
+ "id": 0,
316
+ "rgroups": [
317
+ {
318
+ "capGroupSmiles": "O[*:1]",
319
+ "alternateId": "R1-OH",
320
+ "capGroupName": "OH",
321
+ "label": "R1"
322
+ },
323
+ {
324
+ "capGroupSmiles": "O[*:2]",
325
+ "alternateId": "R2-OH",
326
+ "capGroupName": "OH",
327
+ "label": "R2"
328
+ }
329
+ ],
330
+ "smiles": "OC[C@H]1O[C@@H](N2C3N=CN=C(N)C=3N=C2)[C@H](OCCOC)[C@@H]1O",
331
+ "polymerType": "RNA",
332
+ "monomerType": "Backbone",
333
+ "createDate": null,
334
+ "meta": {
335
+ "molecularWeight": 387.29
336
+ }
337
+ },
338
+ {
339
+ "symbol": "2'MOE-rG",
340
+ "name": "2'MOE-rG",
341
+ "molfile": "\n RDKit 2D|2'MOE-rG\n\n 0 0 0 0 0 0 0 0 0 0999 V3000\nM V30 BEGIN CTAB\nM V30 COUNTS 24 26 0 0 0\nM V30 BEGIN ATOM\nM V30 1 O -5.603144 -5.333656 0.000000 0\nM V30 2 C -4.135922 -5.021788 0.000000 0\nM V30 3 C -3.672397 -3.595203 0.000000 0 CFG=1\nM V30 4 O -2.245812 -3.131678 0.000000 0\nM V30 5 C -2.245812 -1.631678 0.000000 0 CFG=1\nM V30 6 N -1.032286 -0.750000 0.000000 0\nM V30 7 C -1.032286 0.750000 0.000000 0\nM V30 8 N -2.147004 1.753696 0.000000 0\nM V30 9 C -1.835136 3.220917 0.000000 0\nM V30 10 N -2.949853 4.224613 0.000000 0\nM V30 11 N -0.408551 3.684443 0.000000 0\nM V30 12 C 0.706166 2.680747 0.000000 0\nM V30 13 O 2.132751 3.144272 0.000000 0\nM V30 14 C 0.394298 1.213525 0.000000 0\nM V30 15 N 1.275976 0.000000 0.000000 0\nM V30 16 C 0.394298 -1.213525 0.000000 0\nM V30 17 C -3.672397 -1.168152 0.000000 0 CFG=2\nM V30 18 O -4.135922 0.258432 0.000000 0\nM V30 19 C -5.603144 0.570300 0.000000 0\nM V30 20 C -6.066669 1.996885 0.000000 0\nM V30 21 O -7.533890 2.308752 0.000000 0\nM V30 22 C -7.997416 3.735337 0.000000 0\nM V30 23 C -4.554075 -2.381678 0.000000 0 CFG=2\nM V30 24 O -6.054075 -2.381678 0.000000 0\nM V30 END ATOM\nM V30 BEGIN BOND\nM V30 1 1 1 2\nM V30 2 1 3 2 CFG=3\nM V30 3 1 3 4\nM V30 4 1 4 5\nM V30 5 1 5 6 CFG=3\nM V30 6 1 6 7\nM V30 7 1 7 8\nM V30 8 2 8 9\nM V30 9 1 9 10\nM V30 10 1 9 11\nM V30 11 1 11 12\nM V30 12 2 12 13\nM V30 13 1 12 14\nM V30 14 1 14 15\nM V30 15 2 15 16\nM V30 16 1 5 17\nM V30 17 1 17 18 CFG=1\nM V30 18 1 18 19\nM V30 19 1 19 20\nM V30 20 1 20 21\nM V30 21 1 21 22\nM V30 22 1 17 23\nM V30 23 1 23 24 CFG=1\nM V30 24 1 23 3\nM V30 25 1 16 6\nM V30 26 2 14 7\nM V30 END BOND\nM V30 BEGIN COLLECTION\nM V30 MDLV30/STEABS ATOMS=(4 3 5 17 23)\nM V30 END COLLECTION\nM V30 END CTAB\nM END\n",
342
+ "author": "SequenceTranslator",
343
+ "id": 0,
344
+ "rgroups": [
345
+ {
346
+ "capGroupSmiles": "O[*:1]",
347
+ "alternateId": "R1-OH",
348
+ "capGroupName": "OH",
349
+ "label": "R1"
350
+ },
351
+ {
352
+ "capGroupSmiles": "O[*:2]",
353
+ "alternateId": "R2-OH",
354
+ "capGroupName": "OH",
355
+ "label": "R2"
356
+ }
357
+ ],
358
+ "smiles": "OC[C@H]1O[C@@H](N2C3N=C(N)NC(=O)C=3N=C2)[C@H](OCCOC)[C@@H]1O",
359
+ "polymerType": "RNA",
360
+ "monomerType": "Backbone",
361
+ "createDate": null,
362
+ "meta": {
363
+ "molecularWeight": 403.28
364
+ }
365
+ },
366
+ {
367
+ "symbol": "2'OMe-rA",
368
+ "name": "2'OMe-rA",
369
+ "molfile": "\nDatagrok monomer library Nucleotides|2'OMe-rA\n\n 0 0 0 0 0 0 0 0 0 0999 V3000\nM V30 BEGIN CTAB\nM V30 COUNTS 20 22 0 0 0\nM V30 BEGIN ATOM\nM V30 1 O -3.049500 4.582100 0.000000 0\nM V30 2 C -3.049500 3.042100 0.000000 0\nM V30 3 C -1.715800 2.272100 0.000000 0 CFG=1\nM V30 4 O -1.554800 0.740500 0.000000 0\nM V30 5 C -0.048500 0.420300 0.000000 0 CFG=1\nM V30 6 N 0.577900 -0.986500 0.000000 0\nM V30 7 C 2.084200 -1.306700 0.000000 0\nM V30 8 N 3.330100 -0.401500 0.000000 0\nM V30 9 C 4.737000 -1.027900 0.000000 0\nM V30 10 N 4.898000 -2.559500 0.000000 0\nM V30 11 C 3.652100 -3.464600 0.000000 0\nM V30 12 N 3.813000 -4.996200 0.000000 0\nM V30 13 C 2.245200 -2.838300 0.000000 0\nM V30 14 N 0.838400 -3.464700 0.000000 0\nM V30 15 C -0.192100 -2.320200 0.000000 0\nM V30 16 C 0.721500 1.754000 0.000000 0 CFG=2\nM V30 17 O 2.253100 1.915000 0.000000 0\nM V30 18 C 2.879500 3.321900 0.000000 0\nM V30 19 C -0.309000 2.898500 0.000000 0 CFG=2\nM V30 20 O 0.011200 4.404800 0.000000 0\nM V30 END ATOM\nM V30 BEGIN BOND\nM V30 1 1 1 2\nM V30 2 1 3 2 CFG=3\nM V30 3 1 3 4\nM V30 4 1 4 5\nM V30 5 1 5 6 CFG=3\nM V30 6 1 6 7\nM V30 7 2 7 8\nM V30 8 1 8 9\nM V30 9 2 9 10\nM V30 10 1 10 11\nM V30 11 1 11 12\nM V30 12 2 11 13\nM V30 13 1 13 14\nM V30 14 2 14 15\nM V30 15 1 5 16\nM V30 16 1 16 17 CFG=1\nM V30 17 1 17 18\nM V30 18 1 16 19\nM V30 19 1 19 20 CFG=1\nM V30 20 1 19 3\nM V30 21 1 15 6\nM V30 22 1 13 7\nM V30 END BOND\nM V30 BEGIN COLLECTION\nM V30 MDLV30/STEABS ATOMS=(4 3 5 16 19)\nM V30 END COLLECTION\nM V30 END CTAB\nM END\n",
370
+ "author": "SequenceTranslator",
371
+ "id": 0,
372
+ "rgroups": [
373
+ {
374
+ "capGroupSmiles": "O[*:1]",
375
+ "alternateId": "R1-OH",
376
+ "capGroupName": "OH",
377
+ "label": "R1"
378
+ },
379
+ {
380
+ "capGroupSmiles": "O[*:2]",
381
+ "alternateId": "R2-OH",
382
+ "capGroupName": "OH",
383
+ "label": "R2"
384
+ }
385
+ ],
386
+ "smiles": "OC[C@H]1O[C@@H](N2C3N=CN=C(N)C=3N=C2)[C@H](OC)[C@@H]1O",
387
+ "polymerType": "RNA",
388
+ "monomerType": "Backbone",
389
+ "createDate": null,
390
+ "meta": {
391
+ "molecularWeight": 343.24
392
+ }
393
+ },
394
+ {
395
+ "symbol": "2'OMe-rA-ps",
396
+ "name": "2'OMe-rA-ps",
397
+ "molfile": "\n RDKit 2D|2'OMe-rA-ps\n\n 0 0 0 0 0 0 0 0 0 0999 V3000\nM V30 BEGIN CTAB\nM V30 COUNTS 24 26 0 0 0\nM V30 BEGIN ATOM\nM V30 1 O 7.608463 -3.729319 0.000000 0\nM V30 2 C 6.493746 -2.725623 0.000000 0\nM V30 3 C 5.067161 -3.189148 0.000000 0 CFG=1\nM V30 4 O 3.853636 -2.307470 0.000000 0\nM V30 5 C 2.640110 -3.189148 0.000000 0 CFG=1\nM V30 6 N 1.213525 -2.725623 0.000000 0\nM V30 7 C 0.750000 -1.299038 0.000000 0\nM V30 8 N 1.500000 0.000000 0.000000 0\nM V30 9 C 0.750000 1.299038 0.000000 0\nM V30 10 N -0.750000 1.299038 0.000000 0\nM V30 11 C -1.500000 0.000000 0.000000 0\nM V30 12 N -3.000000 0.000000 0.000000 0\nM V30 13 C -0.750000 -1.299038 0.000000 0\nM V30 14 N -1.213525 -2.725623 0.000000 0\nM V30 15 C 0.000000 -3.607301 0.000000 0\nM V30 16 C 3.103636 -4.615733 0.000000 0 CFG=2\nM V30 17 O 2.221958 -5.829259 0.000000 0\nM V30 18 C 2.832063 -7.199577 0.000000 0\nM V30 19 C 4.603636 -4.615733 0.000000 0 CFG=2\nM V30 20 O 5.485314 -5.829259 0.000000 0\nM V30 21 P 4.875209 -7.199577 0.000000 0\nM V30 22 O 3.504890 -6.589472 0.000000 0\nM V30 23 S 4.265104 -8.569895 0.000000 0\nM V30 24 O 6.245527 -7.809682 0.000000 0\nM V30 END ATOM\nM V30 BEGIN BOND\nM V30 1 1 1 2\nM V30 2 1 3 2 CFG=3\nM V30 3 1 3 4\nM V30 4 1 4 5\nM V30 5 1 5 6 CFG=3\nM V30 6 1 6 7\nM V30 7 2 7 8\nM V30 8 1 8 9\nM V30 9 2 9 10\nM V30 10 1 10 11\nM V30 11 1 11 12\nM V30 12 2 11 13\nM V30 13 1 13 14\nM V30 14 2 14 15\nM V30 15 1 5 16\nM V30 16 1 16 17 CFG=1\nM V30 17 1 17 18\nM V30 18 1 16 19\nM V30 19 1 19 20 CFG=1\nM V30 20 1 20 21\nM V30 21 2 21 22\nM V30 22 1 21 23\nM V30 23 1 21 24\nM V30 24 1 19 3\nM V30 25 1 15 6\nM V30 26 1 13 7\nM V30 END BOND\nM V30 BEGIN COLLECTION\nM V30 MDLV30/STEABS ATOMS=(4 3 5 16 19)\nM V30 END COLLECTION\nM V30 END CTAB\nM END\n",
398
+ "author": "SequenceTranslator",
399
+ "id": 0,
400
+ "rgroups": [
401
+ {
402
+ "capGroupSmiles": "O[*:1]",
403
+ "alternateId": "R1-OH",
404
+ "capGroupName": "OH",
405
+ "label": "R1"
406
+ },
407
+ {
408
+ "capGroupSmiles": "O[*:2]",
409
+ "alternateId": "R2-OH",
410
+ "capGroupName": "OH",
411
+ "label": "R2"
412
+ }
413
+ ],
414
+ "smiles": "OC[C@H]1O[C@@H](N2C3N=CN=C(N)C=3N=C2)[C@H](OC)[C@@H]1OP(=O)(S)O",
415
+ "polymerType": "RNA",
416
+ "monomerType": "Backbone",
417
+ "createDate": null,
418
+ "meta": {
419
+ "molecularWeight": 359.31
420
+ }
421
+ },
422
+ {
423
+ "symbol": "2'OMe-rC",
424
+ "name": "2'OMe-rC",
425
+ "molfile": "\n RDKit 2D|2'OMe-rC\n\n 0 0 0 0 0 0 0 0 0 0999 V3000\nM V30 BEGIN CTAB\nM V30 COUNTS 18 19 0 0 0\nM V30 BEGIN ATOM\nM V30 1 O 4.830761 -6.323978 0.000000 0\nM V30 2 C 4.673969 -4.832195 0.000000 0\nM V30 3 C 3.303650 -4.222090 0.000000 0 CFG=1\nM V30 4 O 2.991783 -2.754869 0.000000 0\nM V30 5 C 1.500000 -2.598076 0.000000 0 CFG=1\nM V30 6 N 0.750000 -1.299038 0.000000 0\nM V30 7 C 1.500000 0.000000 0.000000 0\nM V30 8 C 0.750000 1.299038 0.000000 0\nM V30 9 C -0.750000 1.299038 0.000000 0\nM V30 10 N -1.500000 2.598076 0.000000 0\nM V30 11 N -1.500000 0.000000 0.000000 0\nM V30 12 C -0.750000 -1.299038 0.000000 0\nM V30 13 O -1.500000 -2.598076 0.000000 0\nM V30 14 C 0.889895 -3.968394 0.000000 0 CFG=2\nM V30 15 O -0.577326 -4.280262 0.000000 0\nM V30 16 C -1.040852 -5.706847 0.000000 0\nM V30 17 C 2.004612 -4.972090 0.000000 0 CFG=2\nM V30 18 O 1.847820 -6.463873 0.000000 0\nM V30 END ATOM\nM V30 BEGIN BOND\nM V30 1 1 1 2\nM V30 2 1 3 2 CFG=3\nM V30 3 1 3 4\nM V30 4 1 4 5\nM V30 5 1 5 6 CFG=3\nM V30 6 1 6 7\nM V30 7 2 7 8\nM V30 8 1 8 9\nM V30 9 1 9 10\nM V30 10 2 9 11\nM V30 11 1 11 12\nM V30 12 2 12 13\nM V30 13 1 5 14\nM V30 14 1 14 15 CFG=1\nM V30 15 1 15 16\nM V30 16 1 14 17\nM V30 17 1 17 18 CFG=1\nM V30 18 1 17 3\nM V30 19 1 12 6\nM V30 END BOND\nM V30 BEGIN COLLECTION\nM V30 MDLV30/STEABS ATOMS=(4 3 5 14 17)\nM V30 END COLLECTION\nM V30 END CTAB\nM END\n",
426
+ "author": "SequenceTranslator",
427
+ "id": 0,
428
+ "rgroups": [
429
+ {
430
+ "capGroupSmiles": "O[*:1]",
431
+ "alternateId": "R1-OH",
432
+ "capGroupName": "OH",
433
+ "label": "R1"
434
+ },
435
+ {
436
+ "capGroupSmiles": "O[*:2]",
437
+ "alternateId": "R2-OH",
438
+ "capGroupName": "OH",
439
+ "label": "R2"
440
+ }
441
+ ],
442
+ "smiles": "OC[C@H]1O[C@@H](N2C=CC(N)=NC2(=O))[C@H](OC)[C@@H]1O",
443
+ "polymerType": "RNA",
444
+ "monomerType": "Backbone",
445
+ "createDate": null,
446
+ "meta": {
447
+ "molecularWeight": 319.21
448
+ }
449
+ },
450
+ {
451
+ "symbol": "2'OMe-rC-ps",
452
+ "name": "2'OMe-rC-ps",
453
+ "molfile": "\n RDKit 2D|2'OMe-rC-ps\n\n 0 0 0 0 0 0 0 0 0 0999 V3000\nM V30 BEGIN CTAB\nM V30 COUNTS 22 23 0 0 0\nM V30 BEGIN ATOM\nM V30 1 O 4.830761 -6.323978 0.000000 0\nM V30 2 C 4.673969 -4.832195 0.000000 0\nM V30 3 C 3.303650 -4.222090 0.000000 0 CFG=1\nM V30 4 O 2.991783 -2.754869 0.000000 0\nM V30 5 C 1.500000 -2.598076 0.000000 0 CFG=1\nM V30 6 N 0.750000 -1.299038 0.000000 0\nM V30 7 C 1.500000 0.000000 0.000000 0\nM V30 8 C 0.750000 1.299038 0.000000 0\nM V30 9 C -0.750000 1.299038 0.000000 0\nM V30 10 N -1.500000 2.598076 0.000000 0\nM V30 11 N -1.500000 0.000000 0.000000 0\nM V30 12 C -0.750000 -1.299038 0.000000 0\nM V30 13 O -1.500000 -2.598076 0.000000 0\nM V30 14 C 0.889895 -3.968394 0.000000 0 CFG=2\nM V30 15 O -0.577326 -4.280262 0.000000 0\nM V30 16 C -1.040852 -5.706847 0.000000 0\nM V30 17 C 2.004612 -4.972090 0.000000 0 CFG=2\nM V30 18 O 1.847820 -6.463873 0.000000 0\nM V30 19 P 0.477501 -7.073978 0.000000 0\nM V30 20 O -0.132604 -5.703660 0.000000 0\nM V30 21 S -0.892817 -7.684083 0.000000 0\nM V30 22 O 1.087606 -8.444296 0.000000 0\nM V30 END ATOM\nM V30 BEGIN BOND\nM V30 1 1 1 2\nM V30 2 1 3 2 CFG=3\nM V30 3 1 3 4\nM V30 4 1 4 5\nM V30 5 1 5 6 CFG=3\nM V30 6 1 6 7\nM V30 7 2 7 8\nM V30 8 1 8 9\nM V30 9 1 9 10\nM V30 10 2 9 11\nM V30 11 1 11 12\nM V30 12 2 12 13\nM V30 13 1 5 14\nM V30 14 1 14 15 CFG=1\nM V30 15 1 15 16\nM V30 16 1 14 17\nM V30 17 1 17 18 CFG=1\nM V30 18 1 18 19\nM V30 19 2 19 20\nM V30 20 1 19 21\nM V30 21 1 19 22\nM V30 22 1 17 3\nM V30 23 1 12 6\nM V30 END BOND\nM V30 BEGIN COLLECTION\nM V30 MDLV30/STEABS ATOMS=(4 3 5 14 17)\nM V30 END COLLECTION\nM V30 END CTAB\nM END\n",
454
+ "author": "SequenceTranslator",
455
+ "id": 0,
456
+ "rgroups": [
457
+ {
458
+ "capGroupSmiles": "O[*:1]",
459
+ "alternateId": "R1-OH",
460
+ "capGroupName": "OH",
461
+ "label": "R1"
462
+ },
463
+ {
464
+ "capGroupSmiles": "O[*:2]",
465
+ "alternateId": "R2-OH",
466
+ "capGroupName": "OH",
467
+ "label": "R2"
468
+ }
469
+ ],
470
+ "smiles": "OC[C@H]1O[C@@H](N2C=CC(N)=NC2(=O))[C@H](OC)[C@@H]1OP(=O)(S)O",
471
+ "polymerType": "RNA",
472
+ "monomerType": "Backbone",
473
+ "createDate": null,
474
+ "meta": {
475
+ "molecularWeight": 335.28
476
+ }
477
+ },
478
+ {
479
+ "symbol": "2'OMe-rG",
480
+ "name": "2'OMe-rG",
481
+ "molfile": "\nDatagrok monomer library Nucleotides|2'OMe-rG\n\n 0 0 0 0 0 0 0 0 0 0999 V3000\nM V30 BEGIN CTAB\nM V30 COUNTS 21 23 0 0 0\nM V30 BEGIN ATOM\nM V30 1 O -1.771400 5.909500 0.000000 0\nM V30 2 C -2.397800 4.502600 0.000000 0\nM V30 3 C -1.492600 3.256700 0.000000 0 CFG=1\nM V30 4 O -1.968500 1.792100 0.000000 0\nM V30 5 C -0.722600 0.886900 0.000000 0 CFG=1\nM V30 6 N -1.198500 -0.577800 0.000000 0\nM V30 7 C -0.293300 -1.823700 0.000000 0\nM V30 8 N 1.238300 -1.984600 0.000000 0\nM V30 9 C 1.864600 -3.391500 0.000000 0\nM V30 10 N 3.396200 -3.552500 0.000000 0\nM V30 11 N 0.959400 -4.637400 0.000000 0\nM V30 12 C -0.572100 -4.476400 0.000000 0\nM V30 13 O -1.477300 -5.722300 0.000000 0\nM V30 14 C -1.198500 -3.069500 0.000000 0\nM V30 15 N -2.663100 -2.593600 0.000000 0\nM V30 16 C -2.663100 -1.053600 0.000000 0\nM V30 17 C 0.523300 1.792000 0.000000 0 CFG=2\nM V30 18 O 1.987900 1.316200 0.000000 0\nM V30 19 C 3.132400 2.346700 0.000000 0\nM V30 20 C 0.047400 3.256700 0.000000 0 CFG=2\nM V30 21 O 0.952600 4.502600 0.000000 0\nM V30 END ATOM\nM V30 BEGIN BOND\nM V30 1 1 1 2\nM V30 2 1 3 2 CFG=3\nM V30 3 1 3 4\nM V30 4 1 4 5\nM V30 5 1 5 6 CFG=3\nM V30 6 1 6 7\nM V30 7 1 7 8\nM V30 8 2 8 9\nM V30 9 1 9 10\nM V30 10 1 9 11\nM V30 11 1 11 12\nM V30 12 2 12 13\nM V30 13 1 12 14\nM V30 14 1 14 15\nM V30 15 2 15 16\nM V30 16 1 5 17\nM V30 17 1 17 18 CFG=1\nM V30 18 1 18 19\nM V30 19 1 17 20\nM V30 20 1 20 21 CFG=1\nM V30 21 1 20 3\nM V30 22 1 16 6\nM V30 23 2 14 7\nM V30 END BOND\nM V30 BEGIN COLLECTION\nM V30 MDLV30/STEABS ATOMS=(4 3 5 17 20)\nM V30 END COLLECTION\nM V30 END CTAB\nM END\n",
482
+ "author": "SequenceTranslator",
483
+ "id": 0,
484
+ "rgroups": [
485
+ {
486
+ "capGroupSmiles": "O[*:1]",
487
+ "alternateId": "R1-OH",
488
+ "capGroupName": "OH",
489
+ "label": "R1"
490
+ },
491
+ {
492
+ "capGroupSmiles": "O[*:2]",
493
+ "alternateId": "R2-OH",
494
+ "capGroupName": "OH",
495
+ "label": "R2"
496
+ }
497
+ ],
498
+ "smiles": "OC[C@H]1O[C@@H](N2C3N=C(N)NC(=O)C=3N=C2)[C@H](OC)[C@@H]1O",
499
+ "polymerType": "RNA",
500
+ "monomerType": "Backbone",
501
+ "createDate": null,
502
+ "meta": {
503
+ "molecularWeight": 359.24
504
+ }
505
+ },
506
+ {
507
+ "symbol": "2'OMe-rG-ps",
508
+ "name": "2'OMe-rG-ps",
509
+ "molfile": "\n RDKit 2D|2'OMe-rG-ps\n\n 0 0 0 0 0 0 0 0 0 0999 V3000\nM V30 BEGIN CTAB\nM V30 COUNTS 25 27 0 0 0\nM V30 BEGIN ATOM\nM V30 1 O -5.603144 -5.333656 0.000000 0\nM V30 2 C -4.135922 -5.021788 0.000000 0\nM V30 3 C -3.672397 -3.595203 0.000000 0 CFG=1\nM V30 4 O -2.245812 -3.131678 0.000000 0\nM V30 5 C -2.245812 -1.631678 0.000000 0 CFG=1\nM V30 6 N -1.032286 -0.750000 0.000000 0\nM V30 7 C -1.032286 0.750000 0.000000 0\nM V30 8 N -2.147004 1.753696 0.000000 0\nM V30 9 C -1.835136 3.220917 0.000000 0\nM V30 10 N -2.949853 4.224613 0.000000 0\nM V30 11 N -0.408551 3.684443 0.000000 0\nM V30 12 C 0.706166 2.680747 0.000000 0\nM V30 13 O 2.132751 3.144272 0.000000 0\nM V30 14 C 0.394298 1.213525 0.000000 0\nM V30 15 N 1.275976 0.000000 0.000000 0\nM V30 16 C 0.394298 -1.213525 0.000000 0\nM V30 17 C -3.672397 -1.168152 0.000000 0 CFG=2\nM V30 18 O -4.135922 0.258432 0.000000 0\nM V30 19 C -5.603144 0.570300 0.000000 0\nM V30 20 C -4.554075 -2.381678 0.000000 0 CFG=2\nM V30 21 O -6.054075 -2.381678 0.000000 0\nM V30 22 P -6.804075 -1.082640 0.000000 0\nM V30 23 O -5.505036 -0.332640 0.000000 0\nM V30 24 S -7.554075 0.216398 0.000000 0\nM V30 25 O -8.103113 -1.832640 0.000000 0\nM V30 END ATOM\nM V30 BEGIN BOND\nM V30 1 1 1 2\nM V30 2 1 3 2 CFG=3\nM V30 3 1 3 4\nM V30 4 1 4 5\nM V30 5 1 5 6 CFG=3\nM V30 6 1 6 7\nM V30 7 1 7 8\nM V30 8 2 8 9\nM V30 9 1 9 10\nM V30 10 1 9 11\nM V30 11 1 11 12\nM V30 12 2 12 13\nM V30 13 1 12 14\nM V30 14 1 14 15\nM V30 15 2 15 16\nM V30 16 1 5 17\nM V30 17 1 17 18 CFG=1\nM V30 18 1 18 19\nM V30 19 1 17 20\nM V30 20 1 20 21 CFG=1\nM V30 21 1 21 22\nM V30 22 2 22 23\nM V30 23 1 22 24\nM V30 24 1 22 25\nM V30 25 1 20 3\nM V30 26 1 16 6\nM V30 27 2 14 7\nM V30 END BOND\nM V30 BEGIN COLLECTION\nM V30 MDLV30/STEABS ATOMS=(4 3 5 17 20)\nM V30 END COLLECTION\nM V30 END CTAB\nM END\n",
510
+ "author": "SequenceTranslator",
511
+ "id": 0,
512
+ "rgroups": [
513
+ {
514
+ "capGroupSmiles": "O[*:1]",
515
+ "alternateId": "R1-OH",
516
+ "capGroupName": "OH",
517
+ "label": "R1"
518
+ },
519
+ {
520
+ "capGroupSmiles": "O[*:2]",
521
+ "alternateId": "R2-OH",
522
+ "capGroupName": "OH",
523
+ "label": "R2"
524
+ }
525
+ ],
526
+ "smiles": "OC[C@H]1O[C@@H](N2C3N=C(N)NC(=O)C=3N=C2)[C@H](OC)[C@@H]1OP(=O)(S)O",
527
+ "polymerType": "RNA",
528
+ "monomerType": "Backbone",
529
+ "createDate": null,
530
+ "meta": {
531
+ "molecularWeight": 375.31
532
+ }
533
+ },
534
+ {
535
+ "symbol": "2'OMe-rU",
536
+ "name": "2'OMe-rU",
537
+ "molfile": "\n RDKit 2D|2'OMe-rU\n\n 0 0 0 0 0 0 0 0 0 0999 V3000\nM V30 BEGIN CTAB\nM V30 COUNTS 18 19 0 0 0\nM V30 BEGIN ATOM\nM V30 1 O 4.830761 -6.323978 0.000000 0\nM V30 2 C 4.673969 -4.832195 0.000000 0\nM V30 3 C 3.303650 -4.222090 0.000000 0 CFG=1\nM V30 4 O 2.991783 -2.754869 0.000000 0\nM V30 5 C 1.500000 -2.598076 0.000000 0 CFG=1\nM V30 6 N 0.750000 -1.299038 0.000000 0\nM V30 7 C 1.500000 0.000000 0.000000 0\nM V30 8 C 0.750000 1.299038 0.000000 0\nM V30 9 C -0.750000 1.299038 0.000000 0\nM V30 10 O -1.500000 2.598076 0.000000 0\nM V30 11 N -1.500000 0.000000 0.000000 0\nM V30 12 C -0.750000 -1.299038 0.000000 0\nM V30 13 O -1.500000 -2.598076 0.000000 0\nM V30 14 C 0.889895 -3.968394 0.000000 0 CFG=2\nM V30 15 O -0.577326 -4.280262 0.000000 0\nM V30 16 C -1.040852 -5.706847 0.000000 0\nM V30 17 C 2.004612 -4.972090 0.000000 0 CFG=2\nM V30 18 O 1.847820 -6.463873 0.000000 0\nM V30 END ATOM\nM V30 BEGIN BOND\nM V30 1 1 1 2\nM V30 2 1 3 2 CFG=3\nM V30 3 1 3 4\nM V30 4 1 4 5\nM V30 5 1 5 6 CFG=3\nM V30 6 1 6 7\nM V30 7 2 7 8\nM V30 8 1 8 9\nM V30 9 2 9 10\nM V30 10 1 9 11\nM V30 11 1 11 12\nM V30 12 2 12 13\nM V30 13 1 5 14\nM V30 14 1 14 15 CFG=1\nM V30 15 1 15 16\nM V30 16 1 14 17\nM V30 17 1 17 18 CFG=1\nM V30 18 1 17 3\nM V30 19 1 12 6\nM V30 END BOND\nM V30 BEGIN COLLECTION\nM V30 MDLV30/STEABS ATOMS=(4 3 5 14 17)\nM V30 END COLLECTION\nM V30 END CTAB\nM END\n",
538
+ "author": "SequenceTranslator",
539
+ "id": 0,
540
+ "rgroups": [
541
+ {
542
+ "capGroupSmiles": "O[*:1]",
543
+ "alternateId": "R1-OH",
544
+ "capGroupName": "OH",
545
+ "label": "R1"
546
+ },
547
+ {
548
+ "capGroupSmiles": "O[*:2]",
549
+ "alternateId": "R2-OH",
550
+ "capGroupName": "OH",
551
+ "label": "R2"
552
+ }
553
+ ],
554
+ "smiles": "OC[C@H]1O[C@@H](N2C=CC(=O)NC2(=O))[C@H](OC)[C@@H]1O",
555
+ "polymerType": "RNA",
556
+ "monomerType": "Backbone",
557
+ "createDate": null,
558
+ "meta": {
559
+ "molecularWeight": 320.2
560
+ }
561
+ },
562
+ {
563
+ "symbol": "2'OMe-rU-ps",
564
+ "name": "2'OMe-rU-ps",
565
+ "molfile": "\n RDKit 2D|2'OMe-rU-ps\n\n 0 0 0 0 0 0 0 0 0 0999 V3000\nM V30 BEGIN CTAB\nM V30 COUNTS 22 23 0 0 0\nM V30 BEGIN ATOM\nM V30 1 O 4.830761 -6.323978 0.000000 0\nM V30 2 C 4.673969 -4.832195 0.000000 0\nM V30 3 C 3.303650 -4.222090 0.000000 0 CFG=1\nM V30 4 O 2.991783 -2.754869 0.000000 0\nM V30 5 C 1.500000 -2.598076 0.000000 0 CFG=1\nM V30 6 N 0.750000 -1.299038 0.000000 0\nM V30 7 C 1.500000 0.000000 0.000000 0\nM V30 8 C 0.750000 1.299038 0.000000 0\nM V30 9 C -0.750000 1.299038 0.000000 0\nM V30 10 O -1.500000 2.598076 0.000000 0\nM V30 11 N -1.500000 0.000000 0.000000 0\nM V30 12 C -0.750000 -1.299038 0.000000 0\nM V30 13 O -1.500000 -2.598076 0.000000 0\nM V30 14 C 0.889895 -3.968394 0.000000 0 CFG=2\nM V30 15 O -0.577326 -4.280262 0.000000 0\nM V30 16 C -1.040852 -5.706847 0.000000 0\nM V30 17 C 2.004612 -4.972090 0.000000 0 CFG=2\nM V30 18 O 1.847820 -6.463873 0.000000 0\nM V30 19 P 0.477501 -7.073978 0.000000 0\nM V30 20 O -0.132604 -5.703660 0.000000 0\nM V30 21 S -0.892817 -7.684083 0.000000 0\nM V30 22 O 1.087606 -8.444296 0.000000 0\nM V30 END ATOM\nM V30 BEGIN BOND\nM V30 1 1 1 2\nM V30 2 1 3 2 CFG=3\nM V30 3 1 3 4\nM V30 4 1 4 5\nM V30 5 1 5 6 CFG=3\nM V30 6 1 6 7\nM V30 7 2 7 8\nM V30 8 1 8 9\nM V30 9 2 9 10\nM V30 10 1 9 11\nM V30 11 1 11 12\nM V30 12 2 12 13\nM V30 13 1 5 14\nM V30 14 1 14 15 CFG=1\nM V30 15 1 15 16\nM V30 16 1 14 17\nM V30 17 1 17 18 CFG=1\nM V30 18 1 18 19\nM V30 19 2 19 20\nM V30 20 1 19 21\nM V30 21 1 19 22\nM V30 22 1 17 3\nM V30 23 1 12 6\nM V30 END BOND\nM V30 BEGIN COLLECTION\nM V30 MDLV30/STEABS ATOMS=(4 3 5 14 17)\nM V30 END COLLECTION\nM V30 END CTAB\nM END\n",
566
+ "author": "SequenceTranslator",
567
+ "id": 0,
568
+ "rgroups": [
569
+ {
570
+ "capGroupSmiles": "O[*:1]",
571
+ "alternateId": "R1-OH",
572
+ "capGroupName": "OH",
573
+ "label": "R1"
574
+ },
575
+ {
576
+ "capGroupSmiles": "O[*:2]",
577
+ "alternateId": "R2-OH",
578
+ "capGroupName": "OH",
579
+ "label": "R2"
580
+ }
581
+ ],
582
+ "smiles": "OC[C@H]1O[C@@H](N2C=CC(=O)NC2(=O))[C@H](OC)[C@@H]1OP(=O)(S)O",
583
+ "polymerType": "RNA",
584
+ "monomerType": "Backbone",
585
+ "createDate": null,
586
+ "meta": {
587
+ "molecularWeight": 336.27
588
+ }
589
+ },
590
+ {
591
+ "symbol": "5-Methyl-dC",
592
+ "name": "5-Methyl-dC",
593
+ "molfile": "\n RDKit 2D|5-Methyl-dC\n\n 0 0 0 0 0 0 0 0 0 0999 V3000\nM V30 BEGIN CTAB\nM V30 COUNTS 17 18 0 0 0\nM V30 BEGIN ATOM\nM V30 1 O 4.830761 -6.323978 0.000000 0\nM V30 2 C 4.673969 -4.832195 0.000000 0\nM V30 3 C 3.303650 -4.222090 0.000000 0 CFG=1\nM V30 4 O 2.991783 -2.754869 0.000000 0\nM V30 5 C 1.500000 -2.598076 0.000000 0 CFG=1\nM V30 6 N 0.750000 -1.299038 0.000000 0\nM V30 7 C 1.500000 0.000000 0.000000 0\nM V30 8 C 0.750000 1.299038 0.000000 0\nM V30 9 C 1.500000 2.598076 0.000000 0\nM V30 10 C -0.750000 1.299038 0.000000 0\nM V30 11 N -1.500000 2.598076 0.000000 0\nM V30 12 N -1.500000 0.000000 0.000000 0\nM V30 13 C -0.750000 -1.299038 0.000000 0\nM V30 14 O -1.500000 -2.598076 0.000000 0\nM V30 15 C 0.889895 -3.968394 0.000000 0\nM V30 16 C 2.004612 -4.972090 0.000000 0 CFG=2\nM V30 17 O 1.847820 -6.463873 0.000000 0\nM V30 END ATOM\nM V30 BEGIN BOND\nM V30 1 1 1 2\nM V30 2 1 3 2 CFG=3\nM V30 3 1 3 4\nM V30 4 1 4 5\nM V30 5 1 5 6 CFG=3\nM V30 6 1 6 7\nM V30 7 2 7 8\nM V30 8 1 8 9\nM V30 9 1 8 10\nM V30 10 1 10 11\nM V30 11 2 10 12\nM V30 12 1 12 13\nM V30 13 2 13 14\nM V30 14 1 5 15\nM V30 15 1 15 16\nM V30 16 1 16 17 CFG=1\nM V30 17 1 16 3\nM V30 18 1 13 6\nM V30 END BOND\nM V30 BEGIN COLLECTION\nM V30 MDLV30/STEABS ATOMS=(3 3 5 16)\nM V30 END COLLECTION\nM V30 END CTAB\nM END\n",
594
+ "author": "SequenceTranslator",
595
+ "id": 0,
596
+ "rgroups": [
597
+ {
598
+ "capGroupSmiles": "O[*:1]",
599
+ "alternateId": "R1-OH",
600
+ "capGroupName": "OH",
601
+ "label": "R1"
602
+ },
603
+ {
604
+ "capGroupSmiles": "O[*:2]",
605
+ "alternateId": "R2-OH",
606
+ "capGroupName": "OH",
607
+ "label": "R2"
608
+ }
609
+ ],
610
+ "smiles": "OC[C@H]1O[C@@H](N2C=C(C)C(N)=NC2(=O))C[C@@H]1O",
611
+ "polymerType": "RNA",
612
+ "monomerType": "Backbone",
613
+ "createDate": null,
614
+ "meta": {
615
+ "molecularWeight": 303.28
616
+ }
617
+ },
618
+ {
619
+ "symbol": "Adenosine",
620
+ "name": "Adenosine",
621
+ "molfile": "\nDatagrok monomer library Nucleotides|Adenosine\n\n 0 0 0 0 0 0 0 0 0 0999 V3000\nM V30 BEGIN CTAB\nM V30 COUNTS 19 21 0 0 0\nM V30 BEGIN ATOM\nM V30 1 O -1.984700 5.289300 0.000000 0\nM V30 2 C -2.145700 3.757600 0.000000 0\nM V30 3 C -0.899800 2.852500 0.000000 0 CFG=1\nM V30 4 O -0.899800 1.312500 0.000000 0\nM V30 5 C 0.564800 0.836600 0.000000 0 CFG=1\nM V30 6 N 1.040700 -0.628000 0.000000 0\nM V30 7 C 2.547000 -0.948200 0.000000 0\nM V30 8 N 3.792900 -0.043000 0.000000 0\nM V30 9 C 5.199800 -0.669400 0.000000 0\nM V30 10 N 5.360800 -2.201000 0.000000 0\nM V30 11 C 4.114900 -3.106200 0.000000 0\nM V30 12 N 4.275900 -4.637700 0.000000 0\nM V30 13 C 2.708000 -2.479800 0.000000 0\nM V30 14 N 1.301200 -3.106200 0.000000 0\nM V30 15 C 0.270700 -1.961700 0.000000 0\nM V30 16 C 1.470000 2.082500 0.000000 0 CFG=2\nM V30 17 O 3.010000 2.082500 0.000000 0\nM V30 18 C 0.564800 3.328300 0.000000 0 CFG=2\nM V30 19 O 1.040700 4.793000 0.000000 0\nM V30 END ATOM\nM V30 BEGIN BOND\nM V30 1 1 1 2\nM V30 2 1 3 2 CFG=3\nM V30 3 1 3 4\nM V30 4 1 4 5\nM V30 5 1 5 6 CFG=3\nM V30 6 1 6 7\nM V30 7 2 7 8\nM V30 8 1 8 9\nM V30 9 2 9 10\nM V30 10 1 10 11\nM V30 11 1 11 12\nM V30 12 2 11 13\nM V30 13 1 13 14\nM V30 14 2 14 15\nM V30 15 1 5 16\nM V30 16 1 16 17 CFG=1\nM V30 17 1 16 18\nM V30 18 1 18 19 CFG=1\nM V30 19 1 18 3\nM V30 20 1 15 6\nM V30 21 1 13 7\nM V30 END BOND\nM V30 BEGIN COLLECTION\nM V30 MDLV30/STEABS ATOMS=(4 3 5 16 18)\nM V30 END COLLECTION\nM V30 END CTAB\nM END\n",
622
+ "author": "SequenceTranslator",
623
+ "id": 0,
624
+ "rgroups": [
625
+ {
626
+ "capGroupSmiles": "O[*:1]",
627
+ "alternateId": "R1-OH",
628
+ "capGroupName": "OH",
629
+ "label": "R1"
630
+ },
631
+ {
632
+ "capGroupSmiles": "O[*:2]",
633
+ "alternateId": "R2-OH",
634
+ "capGroupName": "OH",
635
+ "label": "R2"
636
+ }
637
+ ],
638
+ "smiles": "OC[C@H]1O[C@@H](N2C3N=CN=C(N)C=3N=C2)[C@H](O)[C@@H]1O",
639
+ "polymerType": "RNA",
640
+ "monomerType": "Backbone",
641
+ "createDate": null,
642
+ "meta": {
643
+ "molecularWeight": 329.21
644
+ }
645
+ },
646
+ {
647
+ "symbol": "Cytidine",
648
+ "name": "Cytidine",
649
+ "molfile": "\n RDKit 2D|Cytidine\n\n 0 0 0 0 0 0 0 0 0 0999 V3000\nM V30 BEGIN CTAB\nM V30 COUNTS 17 18 0 0 0\nM V30 BEGIN ATOM\nM V30 1 O 4.830761 -6.323978 0.000000 0\nM V30 2 C 4.673969 -4.832195 0.000000 0\nM V30 3 C 3.303650 -4.222090 0.000000 0 CFG=1\nM V30 4 O 2.991783 -2.754869 0.000000 0\nM V30 5 C 1.500000 -2.598076 0.000000 0 CFG=1\nM V30 6 N 0.750000 -1.299038 0.000000 0\nM V30 7 C 1.500000 0.000000 0.000000 0\nM V30 8 C 0.750000 1.299038 0.000000 0\nM V30 9 C -0.750000 1.299038 0.000000 0\nM V30 10 N -1.500000 2.598076 0.000000 0\nM V30 11 N -1.500000 0.000000 0.000000 0\nM V30 12 C -0.750000 -1.299038 0.000000 0\nM V30 13 O -1.500000 -2.598076 0.000000 0\nM V30 14 C 0.889895 -3.968394 0.000000 0 CFG=2\nM V30 15 O -0.577326 -4.280262 0.000000 0\nM V30 16 C 2.004612 -4.972090 0.000000 0 CFG=2\nM V30 17 O 1.847820 -6.463873 0.000000 0\nM V30 END ATOM\nM V30 BEGIN BOND\nM V30 1 1 1 2\nM V30 2 1 3 2 CFG=3\nM V30 3 1 3 4\nM V30 4 1 4 5\nM V30 5 1 5 6 CFG=3\nM V30 6 1 6 7\nM V30 7 2 7 8\nM V30 8 1 8 9\nM V30 9 1 9 10\nM V30 10 2 9 11\nM V30 11 1 11 12\nM V30 12 2 12 13\nM V30 13 1 5 14\nM V30 14 1 14 15 CFG=1\nM V30 15 1 14 16\nM V30 16 1 16 17 CFG=1\nM V30 17 1 16 3\nM V30 18 1 12 6\nM V30 END BOND\nM V30 BEGIN COLLECTION\nM V30 MDLV30/STEABS ATOMS=(4 3 5 14 16)\nM V30 END COLLECTION\nM V30 END CTAB\nM END\n",
650
+ "author": "SequenceTranslator",
651
+ "id": 0,
652
+ "rgroups": [
653
+ {
654
+ "capGroupSmiles": "O[*:1]",
655
+ "alternateId": "R1-OH",
656
+ "capGroupName": "OH",
657
+ "label": "R1"
658
+ },
659
+ {
660
+ "capGroupSmiles": "O[*:2]",
661
+ "alternateId": "R2-OH",
662
+ "capGroupName": "OH",
663
+ "label": "R2"
664
+ }
665
+ ],
666
+ "smiles": "OC[C@H]1O[C@@H](N2C=CC(N)=NC2(=O))[C@H](O)[C@@H]1O",
667
+ "polymerType": "RNA",
668
+ "monomerType": "Backbone",
669
+ "createDate": null,
670
+ "meta": {
671
+ "molecularWeight": 305.18
672
+ }
673
+ },
674
+ {
675
+ "symbol": "Deoxyadenosine",
676
+ "name": "Deoxyadenosine",
677
+ "molfile": "\n RDKit 2D|Deoxyadenosine\n\n 0 0 0 0 0 0 0 0 0 0999 V3000\nM V30 BEGIN CTAB\nM V30 COUNTS 18 20 0 0 0\nM V30 BEGIN ATOM\nM V30 1 O 7.608463 -3.729319 0.000000 0\nM V30 2 C 6.493746 -2.725623 0.000000 0\nM V30 3 C 5.067161 -3.189148 0.000000 0 CFG=1\nM V30 4 O 3.853636 -2.307470 0.000000 0\nM V30 5 C 2.640110 -3.189148 0.000000 0 CFG=1\nM V30 6 N 1.213525 -2.725623 0.000000 0\nM V30 7 C 0.750000 -1.299038 0.000000 0\nM V30 8 N 1.500000 0.000000 0.000000 0\nM V30 9 C 0.750000 1.299038 0.000000 0\nM V30 10 N -0.750000 1.299038 0.000000 0\nM V30 11 C -1.500000 0.000000 0.000000 0\nM V30 12 N -3.000000 0.000000 0.000000 0\nM V30 13 C -0.750000 -1.299038 0.000000 0\nM V30 14 N -1.213525 -2.725623 0.000000 0\nM V30 15 C 0.000000 -3.607301 0.000000 0\nM V30 16 C 3.103636 -4.615733 0.000000 0\nM V30 17 C 4.603636 -4.615733 0.000000 0 CFG=2\nM V30 18 O 5.485314 -5.829259 0.000000 0\nM V30 END ATOM\nM V30 BEGIN BOND\nM V30 1 1 1 2\nM V30 2 1 3 2 CFG=3\nM V30 3 1 3 4\nM V30 4 1 4 5\nM V30 5 1 5 6 CFG=3\nM V30 6 1 6 7\nM V30 7 2 7 8\nM V30 8 1 8 9\nM V30 9 2 9 10\nM V30 10 1 10 11\nM V30 11 1 11 12\nM V30 12 2 11 13\nM V30 13 1 13 14\nM V30 14 2 14 15\nM V30 15 1 5 16\nM V30 16 1 16 17\nM V30 17 1 17 18 CFG=1\nM V30 18 1 17 3\nM V30 19 1 15 6\nM V30 20 1 13 7\nM V30 END BOND\nM V30 BEGIN COLLECTION\nM V30 MDLV30/STEABS ATOMS=(3 3 5 17)\nM V30 END COLLECTION\nM V30 END CTAB\nM END\n",
678
+ "author": "SequenceTranslator",
679
+ "id": 0,
680
+ "rgroups": [
681
+ {
682
+ "capGroupSmiles": "O[*:1]",
683
+ "alternateId": "R1-OH",
684
+ "capGroupName": "OH",
685
+ "label": "R1"
686
+ },
687
+ {
688
+ "capGroupSmiles": "O[*:2]",
689
+ "alternateId": "R2-OH",
690
+ "capGroupName": "OH",
691
+ "label": "R2"
692
+ }
693
+ ],
694
+ "smiles": "OC[C@H]1O[C@@H](N2C3N=CN=C(N)C=3N=C2)C[C@@H]1O",
695
+ "polymerType": "RNA",
696
+ "monomerType": "Backbone",
697
+ "createDate": null,
698
+ "meta": {
699
+ "molecularWeight": 313.21
700
+ }
701
+ },
702
+ {
703
+ "symbol": "Deoxycytidine",
704
+ "name": "Deoxycytidine",
705
+ "molfile": "\n RDKit 2D|Deoxycytidine\n\n 0 0 0 0 0 0 0 0 0 0999 V3000\nM V30 BEGIN CTAB\nM V30 COUNTS 16 17 0 0 0\nM V30 BEGIN ATOM\nM V30 1 O 4.830761 -6.323978 0.000000 0\nM V30 2 C 4.673969 -4.832195 0.000000 0\nM V30 3 C 3.303650 -4.222090 0.000000 0 CFG=1\nM V30 4 O 2.991783 -2.754869 0.000000 0\nM V30 5 C 1.500000 -2.598076 0.000000 0 CFG=1\nM V30 6 N 0.750000 -1.299038 0.000000 0\nM V30 7 C 1.500000 0.000000 0.000000 0\nM V30 8 C 0.750000 1.299038 0.000000 0\nM V30 9 C -0.750000 1.299038 0.000000 0\nM V30 10 N -1.500000 2.598076 0.000000 0\nM V30 11 N -1.500000 0.000000 0.000000 0\nM V30 12 C -0.750000 -1.299038 0.000000 0\nM V30 13 O -1.500000 -2.598076 0.000000 0\nM V30 14 C 0.889895 -3.968394 0.000000 0\nM V30 15 C 2.004612 -4.972090 0.000000 0 CFG=2\nM V30 16 O 1.847820 -6.463873 0.000000 0\nM V30 END ATOM\nM V30 BEGIN BOND\nM V30 1 1 1 2\nM V30 2 1 3 2 CFG=3\nM V30 3 1 3 4\nM V30 4 1 4 5\nM V30 5 1 5 6 CFG=3\nM V30 6 1 6 7\nM V30 7 2 7 8\nM V30 8 1 8 9\nM V30 9 1 9 10\nM V30 10 2 9 11\nM V30 11 1 11 12\nM V30 12 2 12 13\nM V30 13 1 5 14\nM V30 14 1 14 15\nM V30 15 1 15 16 CFG=1\nM V30 16 1 15 3\nM V30 17 1 12 6\nM V30 END BOND\nM V30 BEGIN COLLECTION\nM V30 MDLV30/STEABS ATOMS=(3 3 5 15)\nM V30 END COLLECTION\nM V30 END CTAB\nM END\n",
706
+ "author": "SequenceTranslator",
707
+ "id": 0,
708
+ "rgroups": [
709
+ {
710
+ "capGroupSmiles": "O[*:1]",
711
+ "alternateId": "R1-OH",
712
+ "capGroupName": "OH",
713
+ "label": "R1"
714
+ },
715
+ {
716
+ "capGroupSmiles": "O[*:2]",
717
+ "alternateId": "R2-OH",
718
+ "capGroupName": "OH",
719
+ "label": "R2"
720
+ }
721
+ ],
722
+ "smiles": "OC[C@H]1O[C@@H](N2C=CC(N)=NC2(=O))C[C@@H]1O",
723
+ "polymerType": "RNA",
724
+ "monomerType": "Backbone",
725
+ "createDate": null,
726
+ "meta": {
727
+ "molecularWeight": 289.18
728
+ }
729
+ },
730
+ {
731
+ "symbol": "Deoxyguanosine",
732
+ "name": "Deoxyguanosine",
733
+ "molfile": "\n RDKit 2D|Deoxyguanosine\n\n 0 0 0 0 0 0 0 0 0 0999 V3000\nM V30 BEGIN CTAB\nM V30 COUNTS 19 21 0 0 0\nM V30 BEGIN ATOM\nM V30 1 O -5.603144 -5.333656 0.000000 0\nM V30 2 C -4.135922 -5.021788 0.000000 0\nM V30 3 C -3.672397 -3.595203 0.000000 0 CFG=1\nM V30 4 O -2.245812 -3.131678 0.000000 0\nM V30 5 C -2.245812 -1.631678 0.000000 0 CFG=1\nM V30 6 N -1.032286 -0.750000 0.000000 0\nM V30 7 C -1.032286 0.750000 0.000000 0\nM V30 8 N -2.147004 1.753696 0.000000 0\nM V30 9 C -1.835136 3.220917 0.000000 0\nM V30 10 N -2.949853 4.224613 0.000000 0\nM V30 11 N -0.408551 3.684443 0.000000 0\nM V30 12 C 0.706166 2.680747 0.000000 0\nM V30 13 O 2.132751 3.144272 0.000000 0\nM V30 14 C 0.394298 1.213525 0.000000 0\nM V30 15 N 1.275976 0.000000 0.000000 0\nM V30 16 C 0.394298 -1.213525 0.000000 0\nM V30 17 C -3.672397 -1.168152 0.000000 0\nM V30 18 C -4.554075 -2.381678 0.000000 0 CFG=2\nM V30 19 O -6.054075 -2.381678 0.000000 0\nM V30 END ATOM\nM V30 BEGIN BOND\nM V30 1 1 1 2\nM V30 2 1 3 2 CFG=3\nM V30 3 1 3 4\nM V30 4 1 4 5\nM V30 5 1 5 6 CFG=3\nM V30 6 1 6 7\nM V30 7 1 7 8\nM V30 8 2 8 9\nM V30 9 1 9 10\nM V30 10 1 9 11\nM V30 11 1 11 12\nM V30 12 2 12 13\nM V30 13 1 12 14\nM V30 14 1 14 15\nM V30 15 2 15 16\nM V30 16 1 5 17\nM V30 17 1 17 18\nM V30 18 1 18 19 CFG=1\nM V30 19 1 18 3\nM V30 20 1 16 6\nM V30 21 2 14 7\nM V30 END BOND\nM V30 BEGIN COLLECTION\nM V30 MDLV30/STEABS ATOMS=(3 3 5 18)\nM V30 END COLLECTION\nM V30 END CTAB\nM END\n",
734
+ "author": "SequenceTranslator",
735
+ "id": 0,
736
+ "rgroups": [
737
+ {
738
+ "capGroupSmiles": "O[*:1]",
739
+ "alternateId": "R1-OH",
740
+ "capGroupName": "OH",
741
+ "label": "R1"
742
+ },
743
+ {
744
+ "capGroupSmiles": "O[*:2]",
745
+ "alternateId": "R2-OH",
746
+ "capGroupName": "OH",
747
+ "label": "R2"
748
+ }
749
+ ],
750
+ "smiles": "OC[C@H]1O[C@@H](N2C3N=C(N)NC(=O)C=3N=C2)C[C@@H]1O",
751
+ "polymerType": "RNA",
752
+ "monomerType": "Backbone",
753
+ "createDate": null,
754
+ "meta": {
755
+ "molecularWeight": 329.21
756
+ }
757
+ },
758
+ {
759
+ "symbol": "Deoxythymidine",
760
+ "name": "Deoxythymidine",
761
+ "molfile": "\n RDKit 2D|Deoxythymidine\n\n 0 0 0 0 0 0 0 0 0 0999 V3000\nM V30 BEGIN CTAB\nM V30 COUNTS 17 18 0 0 0\nM V30 BEGIN ATOM\nM V30 1 O 4.830761 -6.323978 0.000000 0\nM V30 2 C 4.673969 -4.832195 0.000000 0\nM V30 3 C 3.303650 -4.222090 0.000000 0 CFG=1\nM V30 4 O 2.991783 -2.754869 0.000000 0\nM V30 5 C 1.500000 -2.598076 0.000000 0 CFG=1\nM V30 6 N 0.750000 -1.299038 0.000000 0\nM V30 7 C 1.500000 0.000000 0.000000 0\nM V30 8 C 0.750000 1.299038 0.000000 0\nM V30 9 C 1.500000 2.598076 0.000000 0\nM V30 10 C -0.750000 1.299038 0.000000 0\nM V30 11 O -1.500000 2.598076 0.000000 0\nM V30 12 N -1.500000 0.000000 0.000000 0\nM V30 13 C -0.750000 -1.299038 0.000000 0\nM V30 14 O -1.500000 -2.598076 0.000000 0\nM V30 15 C 0.889895 -3.968394 0.000000 0\nM V30 16 C 2.004612 -4.972090 0.000000 0 CFG=2\nM V30 17 O 1.847820 -6.463873 0.000000 0\nM V30 END ATOM\nM V30 BEGIN BOND\nM V30 1 1 1 2\nM V30 2 1 3 2 CFG=3\nM V30 3 1 3 4\nM V30 4 1 4 5\nM V30 5 1 5 6 CFG=3\nM V30 6 1 6 7\nM V30 7 2 7 8\nM V30 8 1 8 9\nM V30 9 1 8 10\nM V30 10 2 10 11\nM V30 11 1 10 12\nM V30 12 1 12 13\nM V30 13 2 13 14\nM V30 14 1 5 15\nM V30 15 1 15 16\nM V30 16 1 16 17 CFG=1\nM V30 17 1 16 3\nM V30 18 1 13 6\nM V30 END BOND\nM V30 BEGIN COLLECTION\nM V30 MDLV30/STEABS ATOMS=(3 3 5 16)\nM V30 END COLLECTION\nM V30 END CTAB\nM END\n",
762
+ "author": "SequenceTranslator",
763
+ "id": 0,
764
+ "rgroups": [
765
+ {
766
+ "capGroupSmiles": "O[*:1]",
767
+ "alternateId": "R1-OH",
768
+ "capGroupName": "OH",
769
+ "label": "R1"
770
+ },
771
+ {
772
+ "capGroupSmiles": "O[*:2]",
773
+ "alternateId": "R2-OH",
774
+ "capGroupName": "OH",
775
+ "label": "R2"
776
+ }
777
+ ],
778
+ "smiles": "OC[C@H]1O[C@@H](N2C=C(C)C(=O)NC2(=O))C[C@@H]1O",
779
+ "polymerType": "RNA",
780
+ "monomerType": "Backbone",
781
+ "createDate": null,
782
+ "meta": {
783
+ "molecularWeight": 304.2
784
+ }
785
+ },
786
+ {
787
+ "symbol": "Guanosine",
788
+ "name": "Guanosine",
789
+ "molfile": "\n RDKit 2D|Guanosine\n\n 0 0 0 0 0 0 0 0 0 0999 V3000\nM V30 BEGIN CTAB\nM V30 COUNTS 20 22 0 0 0\nM V30 BEGIN ATOM\nM V30 1 O -5.603144 -5.333656 0.000000 0\nM V30 2 C -4.135922 -5.021788 0.000000 0\nM V30 3 C -3.672397 -3.595203 0.000000 0 CFG=1\nM V30 4 O -2.245812 -3.131678 0.000000 0\nM V30 5 C -2.245812 -1.631678 0.000000 0 CFG=1\nM V30 6 N -1.032286 -0.750000 0.000000 0\nM V30 7 C -1.032286 0.750000 0.000000 0\nM V30 8 N -2.147004 1.753696 0.000000 0\nM V30 9 C -1.835136 3.220917 0.000000 0\nM V30 10 N -2.949853 4.224613 0.000000 0\nM V30 11 N -0.408551 3.684443 0.000000 0\nM V30 12 C 0.706166 2.680747 0.000000 0\nM V30 13 O 2.132751 3.144272 0.000000 0\nM V30 14 C 0.394298 1.213525 0.000000 0\nM V30 15 N 1.275976 0.000000 0.000000 0\nM V30 16 C 0.394298 -1.213525 0.000000 0\nM V30 17 C -3.672397 -1.168152 0.000000 0 CFG=2\nM V30 18 O -4.135922 0.258432 0.000000 0\nM V30 19 C -4.554075 -2.381678 0.000000 0 CFG=2\nM V30 20 O -6.054075 -2.381678 0.000000 0\nM V30 END ATOM\nM V30 BEGIN BOND\nM V30 1 1 1 2\nM V30 2 1 3 2 CFG=3\nM V30 3 1 3 4\nM V30 4 1 4 5\nM V30 5 1 5 6 CFG=3\nM V30 6 1 6 7\nM V30 7 1 7 8\nM V30 8 2 8 9\nM V30 9 1 9 10\nM V30 10 1 9 11\nM V30 11 1 11 12\nM V30 12 2 12 13\nM V30 13 1 12 14\nM V30 14 1 14 15\nM V30 15 2 15 16\nM V30 16 1 5 17\nM V30 17 1 17 18 CFG=1\nM V30 18 1 17 19\nM V30 19 1 19 20 CFG=1\nM V30 20 1 19 3\nM V30 21 1 16 6\nM V30 22 2 14 7\nM V30 END BOND\nM V30 BEGIN COLLECTION\nM V30 MDLV30/STEABS ATOMS=(4 3 5 17 19)\nM V30 END COLLECTION\nM V30 END CTAB\nM END\n",
790
+ "author": "SequenceTranslator",
791
+ "id": 0,
792
+ "rgroups": [
793
+ {
794
+ "capGroupSmiles": "O[*:1]",
795
+ "alternateId": "R1-OH",
796
+ "capGroupName": "OH",
797
+ "label": "R1"
798
+ },
799
+ {
800
+ "capGroupSmiles": "O[*:2]",
801
+ "alternateId": "R2-OH",
802
+ "capGroupName": "OH",
803
+ "label": "R2"
804
+ }
805
+ ],
806
+ "smiles": "OC[C@H]1O[C@@H](N2C3N=C(N)NC(=O)C=3N=C2)[C@H](O)[C@@H]1O",
807
+ "polymerType": "RNA",
808
+ "monomerType": "Backbone",
809
+ "createDate": null,
810
+ "meta": {
811
+ "molecularWeight": 345.21
812
+ }
813
+ },
814
+ {
815
+ "symbol": "p",
816
+ "name": "Phosphate",
817
+ "molfile": "\nDatagrok monomer library Nucleotides|Phosphate\n\n 0 0 0 0 0 0 0 0 0 0999 V3000\nM V30 BEGIN CTAB\nM V30 COUNTS 5 4 0 0 0\nM V30 BEGIN ATOM\nM V30 1 O -1.500000 0.000000 0.000000 0\nM V30 2 P 0.000000 0.000000 0.000000 0\nM V30 3 O 0.000000 1.000000 0.000000 0\nM V30 4 O 0.000000 -1.000000 0.000000 0\nM V30 5 O 1.500000 0.000000 0.000000 0\nM V30 END ATOM\nM V30 BEGIN BOND\nM V30 1 1 1 2\nM V30 2 2 2 3\nM V30 3 1 2 4\nM V30 4 1 2 5\nM V30 END BOND\nM V30 END CTAB\nM END\n",
818
+ "author": "SequenceTranslator",
819
+ "id": 0,
820
+ "rgroups": [
821
+ {
822
+ "capGroupSmiles": "O[*:1]",
823
+ "alternateId": "R1-OH",
824
+ "capGroupName": "OH",
825
+ "label": "R1"
826
+ },
827
+ {
828
+ "capGroupSmiles": "O[*:2]",
829
+ "alternateId": "R2-OH",
830
+ "capGroupName": "OH",
831
+ "label": "R2"
832
+ }
833
+ ],
834
+ "smiles": "[OH:1]P(=O)(O)[OH:2]",
835
+ "polymerType": "RNA",
836
+ "monomerType": "Backbone",
837
+ "createDate": null,
838
+ "meta": {
839
+ "molecularWeight": 0
840
+ }
841
+ },
842
+ {
843
+ "symbol": "sp",
844
+ "name": "Phosphorothioate",
845
+ "molfile": "\nDatagrok monomer library Nucleotides|Phosphorothioate\n\n 0 0 0 0 0 0 0 0 0 0999 V3000\nM V30 BEGIN CTAB\nM V30 COUNTS 5 4 0 0 0\nM V30 BEGIN ATOM\nM V30 1 O -1.500000 0.000000 0.000000 0\nM V30 2 P 0.000000 0.000000 0.000000 0\nM V30 3 O 0.000000 1.000000 0.000000 0\nM V30 4 S 0.000000 -1.000000 0.000000 0\nM V30 5 O 1.500000 0.000000 0.000000 0\nM V30 END ATOM\nM V30 BEGIN BOND\nM V30 1 1 1 2\nM V30 2 2 2 3\nM V30 3 1 2 4\nM V30 4 1 2 5\nM V30 END BOND\nM V30 END CTAB\nM END\n",
846
+ "author": "SequenceTranslator",
847
+ "id": 0,
848
+ "rgroups": [
849
+ {
850
+ "capGroupSmiles": "O[*:1]",
851
+ "alternateId": "R1-OH",
852
+ "capGroupName": "OH",
853
+ "label": "R1"
854
+ },
855
+ {
856
+ "capGroupSmiles": "O[*:2]",
857
+ "alternateId": "R2-OH",
858
+ "capGroupName": "OH",
859
+ "label": "R2"
860
+ }
861
+ ],
862
+ "smiles": "OP(=O)(S)O",
863
+ "polymerType": "RNA",
864
+ "monomerType": "Backbone",
865
+ "createDate": null,
866
+ "meta": {
867
+ "molecularWeight": 16.07
868
+ }
869
+ },
870
+ {
871
+ "symbol": "Rpn linkage",
872
+ "name": "Rpn-linkage",
873
+ "molfile": "\n Mrv2213 03072309352D|Rpn-linkage\n\n 0 0 0 0 0 0 0 0 0 0999 V3000\nM V30 BEGIN CTAB\nM V30 COUNTS 5 4 0 0 0\nM V30 BEGIN ATOM\nM V30 1 O -1.848000 0.000000 0.000000 0\nM V30 2 P 0.000000 0.000000 0.000000 0\nM V30 3 O 0.000000 1.232000 0.000000 0\nM V30 4 O 0.000000 -1.232000 0.000000 0\nM V30 5 O 1.848000 0.000000 0.000000 0\nM V30 END ATOM\nM V30 BEGIN BOND\nM V30 1 1 1 2\nM V30 2 2 2 3\nM V30 3 1 2 4 CFG=1\nM V30 4 1 2 5\nM V30 END BOND\nM V30 END CTAB\nM END\n",
874
+ "author": "SequenceTranslator",
875
+ "id": 0,
876
+ "rgroups": [
877
+ {
878
+ "capGroupSmiles": "O[*:1]",
879
+ "alternateId": "R1-OH",
880
+ "capGroupName": "OH",
881
+ "label": "R1"
882
+ },
883
+ {
884
+ "capGroupSmiles": "O[*:2]",
885
+ "alternateId": "R2-OH",
886
+ "capGroupName": "OH",
887
+ "label": "R2"
888
+ }
889
+ ],
890
+ "smiles": "OP(=O)(O)O",
891
+ "polymerType": "RNA",
892
+ "monomerType": "Backbone",
893
+ "createDate": null,
894
+ "meta": {
895
+ "molecularWeight": 16.07
896
+ }
897
+ },
898
+ {
899
+ "symbol": "Rps linkage",
900
+ "name": "Rps-linkage",
901
+ "molfile": "\n Mrv2213 03072309272D|Rps-linkage\n\n 0 0 0 0 0 0 0 0 0 0999 V3000\nM V30 BEGIN CTAB\nM V30 COUNTS 5 4 0 0 0\nM V30 BEGIN ATOM\nM V30 1 O -1.848000 0.000000 0.000000 0\nM V30 2 P 0.000000 0.000000 0.000000 0 CFG=1\nM V30 3 O 0.000000 1.232000 0.000000 0\nM V30 4 S 0.000000 -1.232000 0.000000 0\nM V30 5 O 1.848000 0.000000 0.000000 0\nM V30 END ATOM\nM V30 BEGIN BOND\nM V30 1 1 1 2\nM V30 2 2 2 3\nM V30 3 1 2 4 CFG=3\nM V30 4 1 2 5\nM V30 END BOND\nM V30 BEGIN COLLECTION\nM V30 MDLV30/STEABS ATOMS=(1 2)\nM V30 END COLLECTION\nM V30 END CTAB\nM END\n",
902
+ "author": "SequenceTranslator",
903
+ "id": 0,
904
+ "rgroups": [
905
+ {
906
+ "capGroupSmiles": "O[*:1]",
907
+ "alternateId": "R1-OH",
908
+ "capGroupName": "OH",
909
+ "label": "R1"
910
+ },
911
+ {
912
+ "capGroupSmiles": "O[*:2]",
913
+ "alternateId": "R2-OH",
914
+ "capGroupName": "OH",
915
+ "label": "R2"
916
+ }
917
+ ],
918
+ "smiles": "OP(=O)(S)O",
919
+ "polymerType": "RNA",
920
+ "monomerType": "Backbone",
921
+ "createDate": null,
922
+ "meta": {
923
+ "molecularWeight": 16.07
924
+ }
925
+ },
926
+ {
927
+ "symbol": "Spn linkage",
928
+ "name": "Spn-linkage",
929
+ "molfile": "\n Mrv2213 03072309362D|Spn-linkage\n\n 0 0 0 0 0 0 0 0 0 0999 V3000\nM V30 BEGIN CTAB\nM V30 COUNTS 5 4 0 0 0\nM V30 BEGIN ATOM\nM V30 1 O -1.848000 0.000000 0.000000 0\nM V30 2 P 0.000000 0.000000 0.000000 0\nM V30 3 O 0.000000 1.232000 0.000000 0\nM V30 4 O 0.000000 -1.232000 0.000000 0\nM V30 5 O 1.848000 0.000000 0.000000 0\nM V30 END ATOM\nM V30 BEGIN BOND\nM V30 1 1 1 2\nM V30 2 2 2 3\nM V30 3 1 2 4 CFG=3\nM V30 4 1 2 5\nM V30 END BOND\nM V30 END CTAB\nM END\n",
930
+ "author": "SequenceTranslator",
931
+ "id": 0,
932
+ "rgroups": [
933
+ {
934
+ "capGroupSmiles": "O[*:1]",
935
+ "alternateId": "R1-OH",
936
+ "capGroupName": "OH",
937
+ "label": "R1"
938
+ },
939
+ {
940
+ "capGroupSmiles": "O[*:2]",
941
+ "alternateId": "R2-OH",
942
+ "capGroupName": "OH",
943
+ "label": "R2"
944
+ }
945
+ ],
946
+ "smiles": "OP(=O)(S)O",
947
+ "polymerType": "RNA",
948
+ "monomerType": "Backbone",
949
+ "createDate": null,
950
+ "meta": {
951
+ "molecularWeight": 16.07
952
+ }
953
+ },
954
+ {
955
+ "symbol": "Sps linkage",
956
+ "name": "Sps-linkage",
957
+ "molfile": "\n Mrv2213 03072309252D|Sps-linkage\n\n 0 0 0 0 0 0 0 0 0 0999 V3000\nM V30 BEGIN CTAB\nM V30 COUNTS 5 4 0 0 0\nM V30 BEGIN ATOM\nM V30 1 O -1.848000 0.000000 0.000000 0\nM V30 2 P 0.000000 0.000000 0.000000 0 CFG=1\nM V30 3 O 0.000000 1.232000 0.000000 0\nM V30 4 S 0.000000 -1.232000 0.000000 0\nM V30 5 O 1.848000 0.000000 0.000000 0\nM V30 END ATOM\nM V30 BEGIN BOND\nM V30 1 1 1 2\nM V30 2 2 2 3\nM V30 3 1 2 4 CFG=1\nM V30 4 1 2 5\nM V30 END BOND\nM V30 BEGIN COLLECTION\nM V30 MDLV30/STEABS ATOMS=(1 2)\nM V30 END COLLECTION\nM V30 END CTAB\nM END\n",
958
+ "author": "SequenceTranslator",
959
+ "id": 0,
960
+ "rgroups": [
961
+ {
962
+ "capGroupSmiles": "O[*:1]",
963
+ "alternateId": "R1-OH",
964
+ "capGroupName": "OH",
965
+ "label": "R1"
966
+ },
967
+ {
968
+ "capGroupSmiles": "O[*:2]",
969
+ "alternateId": "R2-OH",
970
+ "capGroupName": "OH",
971
+ "label": "R2"
972
+ }
973
+ ],
974
+ "smiles": "OP(=O)(S)O",
975
+ "polymerType": "RNA",
976
+ "monomerType": "Backbone",
977
+ "createDate": null,
978
+ "meta": {
979
+ "molecularWeight": 16.07
980
+ }
981
+ },
982
+ {
983
+ "symbol": "UNA-A",
984
+ "name": "UNA-A",
985
+ "molfile": "\nDatagrok monomer library Nucleotides|UNA-A\n\n 0 0 0 0 0 0 0 0 0 0999 V3000\nM V30 BEGIN CTAB\nM V30 COUNTS 19 20 0 0 1\nM V30 BEGIN ATOM\nM V30 1 O -3.412100 4.785600 0.000000 0\nM V30 2 C -0.934300 4.249900 0.000000 0 CFG=1\nM V30 3 C -0.248700 1.672400 0.000000 0 CFG=1\nM V30 4 C 0.605700 4.247700 0.000000 0\nM V30 5 C 1.087200 2.440400 0.000000 0\nM V30 6 N 1.581200 -4.785600 0.000000 0\nM V30 7 O 2.624400 2.518100 0.000000 0\nM V30 8 C -2.546900 4.105400 0.000000 0\nM V30 9 O -1.335200 2.763200 0.000000 0\nM V30 10 C 1.784400 -3.259600 0.000000 0\nM V30 11 C 0.564000 -2.319600 0.000000 0\nM V30 12 C 0.768400 -0.793400 0.000000 0\nM V30 13 N 2.191800 -0.206500 0.000000 0\nM V30 14 C 3.412100 -1.146500 0.000000 0\nM V30 15 N 3.208800 -2.672500 0.000000 0\nM V30 16 N -0.451900 0.146600 0.000000 0\nM V30 17 C -1.875200 -0.440500 0.000000 0\nM V30 18 N -2.079700 -1.966700 0.000000 0\nM V30 19 O 1.899100 5.084100 0.000000 0\nM V30 END ATOM\nM V30 BEGIN BOND\nM V30 1 1 3 16\nM V30 2 1 9 2\nM V30 3 1 9 3\nM V30 4 1 2 4\nM V30 5 1 2 8 CFG=3\nM V30 6 1 3 5\nM V30 7 1 4 19 CFG=1\nM V30 8 1 5 7 CFG=1\nM V30 9 1 8 1\nM V30 10 1 10 6\nM V30 11 2 10 15\nM V30 12 1 10 11\nM V30 13 1 18 11\nM V30 14 2 11 12\nM V30 15 1 16 12\nM V30 16 1 12 13\nM V30 17 2 13 14\nM V30 18 1 14 15\nM V30 19 1 16 17\nM V30 20 2 17 18\nM V30 END BOND\nM V30 BEGIN COLLECTION\nM V30 MDLV30/STEABS ATOMS=(2 2 3)\nM V30 END COLLECTION\nM V30 END CTAB\nM END\n",
986
+ "author": "SequenceTranslator",
987
+ "id": 0,
988
+ "rgroups": [
989
+ {
990
+ "capGroupSmiles": "O[*:1]",
991
+ "alternateId": "R1-OH",
992
+ "capGroupName": "OH",
993
+ "label": "R1"
994
+ },
995
+ {
996
+ "capGroupSmiles": "O[*:2]",
997
+ "alternateId": "R2-OH",
998
+ "capGroupName": "OH",
999
+ "label": "R2"
1000
+ }
1001
+ ],
1002
+ "smiles": "",
1003
+ "polymerType": "RNA",
1004
+ "monomerType": "Backbone",
1005
+ "createDate": null,
1006
+ "meta": {
1007
+ "molecularWeight": 269.26
1008
+ }
1009
+ },
1010
+ {
1011
+ "symbol": "UNA-C",
1012
+ "name": "UNA-C",
1013
+ "molfile": "\nDatagrok monomer library Nucleotides|UNA-C\n\n 0 0 0 0 0 0 0 0 0 0999 V3000\nM V30 BEGIN CTAB\nM V30 COUNTS 17 17 0 0 1\nM V30 BEGIN ATOM\nM V30 1 O -2.993200 4.609700 0.000000 0\nM V30 2 C -0.516000 4.073900 0.000000 0 CFG=2\nM V30 3 C 0.170600 1.496200 0.000000 0 CFG=1\nM V30 4 C 1.024000 4.071600 0.000000 0\nM V30 5 C 1.505300 2.264100 0.000000 0\nM V30 6 O -0.917000 2.587200 0.000000 0\nM V30 7 C -2.127800 3.929300 0.000000 0\nM V30 8 C -0.441200 -3.083500 0.000000 0\nM V30 9 C -1.661500 -2.143300 0.000000 0\nM V30 10 C -1.457100 -0.617000 0.000000 0\nM V30 11 N -0.033700 -0.029900 0.000000 0\nM V30 12 C 1.186700 -0.970000 0.000000 0\nM V30 13 N 0.983500 -2.496400 0.000000 0\nM V30 14 N -0.644300 -4.609700 0.000000 0\nM V30 15 O 2.610400 -0.382900 0.000000 0\nM V30 16 O 3.043000 2.341900 0.000000 0\nM V30 17 O 2.398100 4.768400 0.000000 0\nM V30 END ATOM\nM V30 BEGIN BOND\nM V30 1 1 3 11\nM V30 2 1 6 2\nM V30 3 1 6 3\nM V30 4 1 2 4\nM V30 5 1 2 7 CFG=3\nM V30 6 1 3 5\nM V30 7 1 4 17 CFG=1\nM V30 8 1 5 16 CFG=1\nM V30 9 1 7 1\nM V30 10 1 8 9\nM V30 11 2 8 13\nM V30 12 1 8 14\nM V30 13 2 9 10\nM V30 14 1 10 11\nM V30 15 1 11 12\nM V30 16 1 12 13\nM V30 17 2 12 15\nM V30 END BOND\nM V30 BEGIN COLLECTION\nM V30 MDLV30/STEABS ATOMS=(2 2 3)\nM V30 END COLLECTION\nM V30 END CTAB\nM END\n",
1014
+ "author": "SequenceTranslator",
1015
+ "id": 0,
1016
+ "rgroups": [
1017
+ {
1018
+ "capGroupSmiles": "O[*:1]",
1019
+ "alternateId": "R1-OH",
1020
+ "capGroupName": "OH",
1021
+ "label": "R1"
1022
+ },
1023
+ {
1024
+ "capGroupSmiles": "O[*:2]",
1025
+ "alternateId": "R2-OH",
1026
+ "capGroupName": "OH",
1027
+ "label": "R2"
1028
+ }
1029
+ ],
1030
+ "smiles": "",
1031
+ "polymerType": "RNA",
1032
+ "monomerType": "Backbone",
1033
+ "createDate": null,
1034
+ "meta": {
1035
+ "molecularWeight": 245.23
1036
+ }
1037
+ },
1038
+ {
1039
+ "symbol": "UNA-G",
1040
+ "name": "UNA-G",
1041
+ "molfile": "\nDatagrok monomer library Nucleotides|UNA-G\n\n 0 0 0 0 0 0 0 0 0 0999 V3000\nM V30 BEGIN CTAB\nM V30 COUNTS 20 21 0 0 1\nM V30 BEGIN ATOM\nM V30 1 O -4.123900 4.785100 0.000000 0\nM V30 2 C -1.646400 4.249400 0.000000 0 CFG=1\nM V30 3 C -0.960900 1.672300 0.000000 0 CFG=1\nM V30 4 C -0.106500 4.247200 0.000000 0\nM V30 5 C 0.374900 2.440100 0.000000 0\nM V30 6 N 4.123900 -0.559200 0.000000 0\nM V30 7 O 1.912000 2.517800 0.000000 0\nM V30 8 C -3.258900 4.105000 0.000000 0\nM V30 9 O -2.047300 2.763000 0.000000 0\nM V30 10 C 1.072000 -3.259300 0.000000 0\nM V30 11 C -0.148100 -2.319400 0.000000 0\nM V30 12 C 0.056200 -0.793400 0.000000 0\nM V30 13 N 1.479400 -0.206500 0.000000 0\nM V30 14 C 2.699600 -1.146400 0.000000 0\nM V30 15 N 2.496400 -2.672200 0.000000 0\nM V30 16 N -1.164100 0.146600 0.000000 0\nM V30 17 C -2.587300 -0.440500 0.000000 0\nM V30 18 N -2.791600 -1.966500 0.000000 0\nM V30 19 O 0.868800 -4.785100 0.000000 0\nM V30 20 O 1.267200 4.943800 0.000000 0\nM V30 END ATOM\nM V30 BEGIN BOND\nM V30 1 1 3 16\nM V30 2 1 9 2\nM V30 3 1 9 3\nM V30 4 1 2 4\nM V30 5 1 2 8 CFG=3\nM V30 6 1 3 5\nM V30 7 1 4 20 CFG=1\nM V30 8 1 5 7 CFG=1\nM V30 9 1 8 1\nM V30 10 2 10 19\nM V30 11 1 10 15\nM V30 12 1 10 11\nM V30 13 1 18 11\nM V30 14 2 11 12\nM V30 15 1 16 12\nM V30 16 1 12 13\nM V30 17 2 13 14\nM V30 18 1 14 15\nM V30 19 1 16 17\nM V30 20 2 17 18\nM V30 21 1 14 6\nM V30 END BOND\nM V30 BEGIN COLLECTION\nM V30 MDLV30/STEABS ATOMS=(2 2 3)\nM V30 END COLLECTION\nM V30 END CTAB\nM END\n",
1042
+ "author": "SequenceTranslator",
1043
+ "id": 0,
1044
+ "rgroups": [
1045
+ {
1046
+ "capGroupSmiles": "O[*:1]",
1047
+ "alternateId": "R1-OH",
1048
+ "capGroupName": "OH",
1049
+ "label": "R1"
1050
+ },
1051
+ {
1052
+ "capGroupSmiles": "O[*:2]",
1053
+ "alternateId": "R2-OH",
1054
+ "capGroupName": "OH",
1055
+ "label": "R2"
1056
+ }
1057
+ ],
1058
+ "smiles": "",
1059
+ "polymerType": "RNA",
1060
+ "monomerType": "Backbone",
1061
+ "createDate": null,
1062
+ "meta": {
1063
+ "molecularWeight": 285.26
1064
+ }
1065
+ },
1066
+ {
1067
+ "symbol": "UNA-U",
1068
+ "name": "UNA-U",
1069
+ "molfile": "\nDatagrok monomer library Nucleotides|UNA-U\n\n 0 0 0 0 0 0 0 0 0 0999 V3000\nM V30 BEGIN CTAB\nM V30 COUNTS 17 17 0 0 1\nM V30 BEGIN ATOM\nM V30 1 O -2.993000 4.609300 0.000000 0\nM V30 2 C -0.516100 4.073500 0.000000 0 CFG=2\nM V30 3 C 0.170400 1.496000 0.000000 0 CFG=1\nM V30 4 C 1.023900 4.071300 0.000000 0\nM V30 5 C 1.505200 2.264000 0.000000 0\nM V30 6 O -0.917000 2.586800 0.000000 0\nM V30 7 C -2.127800 3.929000 0.000000 0\nM V30 8 C -0.441200 -3.083100 0.000000 0\nM V30 9 C -1.661400 -2.143100 0.000000 0\nM V30 10 C -1.457100 -0.616900 0.000000 0\nM V30 11 N -0.033700 -0.029800 0.000000 0\nM V30 12 C 1.186700 -0.969900 0.000000 0\nM V30 13 N 0.983400 -2.496200 0.000000 0\nM V30 14 O -0.644400 -4.609300 0.000000 0\nM V30 15 O 2.610200 -0.382900 0.000000 0\nM V30 16 O 3.042700 2.341600 0.000000 0\nM V30 17 O 2.397800 4.768000 0.000000 0\nM V30 END ATOM\nM V30 BEGIN BOND\nM V30 1 1 3 11\nM V30 2 1 6 2\nM V30 3 1 6 3\nM V30 4 1 2 4\nM V30 5 1 2 7 CFG=3\nM V30 6 1 3 5\nM V30 7 1 4 17 CFG=1\nM V30 8 1 5 16 CFG=1\nM V30 9 1 7 1\nM V30 10 1 8 9\nM V30 11 1 8 13\nM V30 12 2 8 14\nM V30 13 2 9 10\nM V30 14 1 10 11\nM V30 15 1 11 12\nM V30 16 1 12 13\nM V30 17 2 12 15\nM V30 END BOND\nM V30 BEGIN COLLECTION\nM V30 MDLV30/STEABS ATOMS=(2 2 3)\nM V30 END COLLECTION\nM V30 END CTAB\nM END\n",
1070
+ "author": "SequenceTranslator",
1071
+ "id": 0,
1072
+ "rgroups": [
1073
+ {
1074
+ "capGroupSmiles": "O[*:1]",
1075
+ "alternateId": "R1-OH",
1076
+ "capGroupName": "OH",
1077
+ "label": "R1"
1078
+ },
1079
+ {
1080
+ "capGroupSmiles": "O[*:2]",
1081
+ "alternateId": "R2-OH",
1082
+ "capGroupName": "OH",
1083
+ "label": "R2"
1084
+ }
1085
+ ],
1086
+ "smiles": "",
1087
+ "polymerType": "RNA",
1088
+ "monomerType": "Backbone",
1089
+ "createDate": null,
1090
+ "meta": {
1091
+ "molecularWeight": 246.22
1092
+ }
1093
+ },
1094
+ {
1095
+ "symbol": "Uridine",
1096
+ "name": "Uridine",
1097
+ "molfile": "\n RDKit 2D|Uridine\n\n 0 0 0 0 0 0 0 0 0 0999 V3000\nM V30 BEGIN CTAB\nM V30 COUNTS 17 18 0 0 0\nM V30 BEGIN ATOM\nM V30 1 O 4.830761 -6.323978 0.000000 0\nM V30 2 C 4.673969 -4.832195 0.000000 0\nM V30 3 C 3.303650 -4.222090 0.000000 0 CFG=1\nM V30 4 O 2.991783 -2.754869 0.000000 0\nM V30 5 C 1.500000 -2.598076 0.000000 0 CFG=1\nM V30 6 N 0.750000 -1.299038 0.000000 0\nM V30 7 C 1.500000 0.000000 0.000000 0\nM V30 8 C 0.750000 1.299038 0.000000 0\nM V30 9 C -0.750000 1.299038 0.000000 0\nM V30 10 O -1.500000 2.598076 0.000000 0\nM V30 11 N -1.500000 0.000000 0.000000 0\nM V30 12 C -0.750000 -1.299038 0.000000 0\nM V30 13 O -1.500000 -2.598076 0.000000 0\nM V30 14 C 0.889895 -3.968394 0.000000 0 CFG=2\nM V30 15 O -0.577326 -4.280262 0.000000 0\nM V30 16 C 2.004612 -4.972090 0.000000 0 CFG=2\nM V30 17 O 1.847820 -6.463873 0.000000 0\nM V30 END ATOM\nM V30 BEGIN BOND\nM V30 1 1 1 2\nM V30 2 1 3 2 CFG=3\nM V30 3 1 3 4\nM V30 4 1 4 5\nM V30 5 1 5 6 CFG=3\nM V30 6 1 6 7\nM V30 7 2 7 8\nM V30 8 1 8 9\nM V30 9 2 9 10\nM V30 10 1 9 11\nM V30 11 1 11 12\nM V30 12 2 12 13\nM V30 13 1 5 14\nM V30 14 1 14 15 CFG=1\nM V30 15 1 14 16\nM V30 16 1 16 17 CFG=1\nM V30 17 1 16 3\nM V30 18 1 12 6\nM V30 END BOND\nM V30 BEGIN COLLECTION\nM V30 MDLV30/STEABS ATOMS=(4 3 5 14 16)\nM V30 END COLLECTION\nM V30 END CTAB\nM END\n",
1098
+ "author": "SequenceTranslator",
1099
+ "id": 0,
1100
+ "rgroups": [
1101
+ {
1102
+ "capGroupSmiles": "O[*:1]",
1103
+ "alternateId": "R1-OH",
1104
+ "capGroupName": "OH",
1105
+ "label": "R1"
1106
+ },
1107
+ {
1108
+ "capGroupSmiles": "O[*:2]",
1109
+ "alternateId": "R2-OH",
1110
+ "capGroupName": "OH",
1111
+ "label": "R2"
1112
+ }
1113
+ ],
1114
+ "smiles": "OC[C@H]1O[C@@H](N2C=CC(=O)NC2(=O))[C@H](O)[C@@H]1O",
1115
+ "polymerType": "RNA",
1116
+ "monomerType": "Backbone",
1117
+ "createDate": null,
1118
+ "meta": {
1119
+ "molecularWeight": 306.17
1120
+ }
1121
+ },
1122
+ {
1123
+ "monomerType": "Branch",
1124
+ "smiles": "[H:1]n1cc(C)c(N)nc1=O",
1125
+ "name": "5-Methylcytosine",
1126
+ "author": "Pistoia Alliance HELM project",
1127
+ "molfile": "HELM Core Monomer library\nHELMMonomers071816.sdf \n\n 10 10 0 0 0 0 0 0 0 0999 V2000\n 23.0624 -3.8327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 23.0624 -5.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.7674 -6.0827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 20.4624 -5.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.4624 -3.8327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.7674 -3.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.7674 -1.5827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 21.7674 -7.5827 0.0000 R1 0 0 0 0 0 0 0 0 0 0 0 0\n 24.3614 -6.0827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 19.1634 -3.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0\n 2 3 1 0 0\n 3 4 1 0 0\n 4 5 2 0 0\n 5 6 1 0 0\n 1 6 2 0 0\n 6 7 1 0 0\n 3 8 1 0 0\n 2 9 2 0 0\n 5 10 1 0 0\nA 8\nR1\nM END\n",
1128
+ "naturalAnalog": "C",
1129
+ "rgroups": [
1130
+ {
1131
+ "capGroupSMILES": "[*:1][H]",
1132
+ "alternateId": "R1-H",
1133
+ "capGroupName": "H",
1134
+ "label": "R1"
1135
+ }
1136
+ ],
1137
+ "symbol": "m5C",
1138
+ "createDate": null,
1139
+ "polymerType": "RNA",
1140
+ "id": 0
1141
+ }
1142
+ ]