@datagrok/sequence-translator 1.0.16 → 1.1.0

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 (92) hide show
  1. package/.eslintrc.json +4 -3
  2. package/CHANGELOG.md +3 -0
  3. package/detectors.js +8 -28
  4. package/dist/package-test.js +2 -72987
  5. package/dist/package-test.js.map +1 -0
  6. package/dist/package.js +2 -72192
  7. package/dist/package.js.map +1 -0
  8. package/files/axolabs-style.json +97 -0
  9. package/files/codes-to-symbols.json +66 -0
  10. package/files/formats-to-helm.json +59 -0
  11. package/files/linkers.json +22 -0
  12. package/files/monomer-lib.json +1094 -0
  13. package/link-bio +7 -0
  14. package/package.json +30 -26
  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 → model/axolabs}/draw-svg.ts +1 -1
  21. package/src/{axolabs → model/axolabs}/helpers.ts +7 -5
  22. package/src/model/const.ts +19 -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 +48 -0
  28. package/src/model/format-translation/format-converter.ts +107 -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 +106 -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/{structures-works → model/sequence-to-structure-utils}/mol-transformations.ts +61 -87
  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 +94 -0
  38. package/src/model/sequence-to-structure-utils/sequence-to-molfile.ts +409 -0
  39. package/src/package.ts +106 -77
  40. package/src/tests/const.ts +17 -0
  41. package/src/tests/smiles-tests.ts +32 -457
  42. package/src/view/const/main-tab.ts +3 -0
  43. package/src/view/const/view.ts +10 -0
  44. package/src/view/css/axolabs-tab.css +1 -0
  45. package/src/view/css/colored-text-input.css +27 -0
  46. package/src/view/css/main-tab.css +46 -0
  47. package/src/view/css/sdf-tab.css +39 -0
  48. package/src/view/monomer-lib-viewer/viewer.ts +22 -0
  49. package/src/view/tabs/axolabs.ts +720 -0
  50. package/src/view/tabs/main.ts +174 -0
  51. package/src/view/tabs/sdf.ts +173 -0
  52. package/src/view/utils/app-info-dialog.ts +18 -0
  53. package/src/view/utils/colored-input/colored-text-input.ts +56 -0
  54. package/src/view/utils/colored-input/input-painters.ts +44 -0
  55. package/src/view/utils/draw-molecule.ts +86 -0
  56. package/src/view/utils/molecule-img.ts +106 -0
  57. package/src/view/view.ts +129 -0
  58. package/tsconfig.json +12 -18
  59. package/webpack.config.js +17 -4
  60. package/README.md +0 -84
  61. package/css/style.css +0 -18
  62. package/img/Sequence Translator Axolabs.png +0 -0
  63. package/jest.config.js +0 -33
  64. package/setup-unlink-clean.cmd +0 -14
  65. package/setup.cmd +0 -14
  66. package/setup.sh +0 -37
  67. package/src/__jest__/remote.test.ts +0 -77
  68. package/src/__jest__/test-node.ts +0 -97
  69. package/src/apps/oligo-sd-file-app.ts +0 -58
  70. package/src/autostart/ICDs.ts +0 -3
  71. package/src/autostart/IDPs.ts +0 -3
  72. package/src/autostart/calculations.ts +0 -40
  73. package/src/autostart/constants.ts +0 -37
  74. package/src/autostart/registration.ts +0 -241
  75. package/src/autostart/salts.ts +0 -2
  76. package/src/autostart/sources.ts +0 -3
  77. package/src/autostart/users.ts +0 -3
  78. package/src/axolabs/constants.ts +0 -101
  79. package/src/axolabs/define-pattern.ts +0 -873
  80. package/src/helpers.ts +0 -28
  81. package/src/main/main-view.ts +0 -262
  82. package/src/structures-works/const.ts +0 -5
  83. package/src/structures-works/converters.ts +0 -323
  84. package/src/structures-works/from-monomers.ts +0 -267
  85. package/src/structures-works/map.ts +0 -720
  86. package/src/structures-works/save-sense-antisense.ts +0 -91
  87. package/src/structures-works/sequence-codes-tools.ts +0 -344
  88. package/src/utils/parse.ts +0 -27
  89. package/src/utils/sdf-add-columns.ts +0 -118
  90. package/src/utils/sdf-save-table.ts +0 -56
  91. package/test-SequenceTranslator-6288c2fbe346-cce4ac1d.html +0 -259
  92. package/vendors/openchemlib-full.js +0 -293
@@ -0,0 +1,1094 @@
1
+ [
2
+ {
3
+ "symbol": "2'-fluoro-A",
4
+ "name": "2'-fluoro-A",
5
+ "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",
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": "OC[C@H]1O[C@@H](N2C3N=CN=C(N)C=3N=C2)[C@H](F)[C@@H]1O",
23
+ "polymerType": "RNA",
24
+ "monomerType": "Backbone",
25
+ "createDate": null,
26
+ "meta": {
27
+ "molecularWeight": 331.2
28
+ }
29
+ },
30
+ {
31
+ "symbol": "2'-fluoro-A-ps",
32
+ "name": "2'-fluoro-A-ps",
33
+ "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",
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]1OP(=O)(S)O",
51
+ "polymerType": "RNA",
52
+ "monomerType": "Backbone",
53
+ "createDate": null,
54
+ "meta": {
55
+ "molecularWeight": 347.27
56
+ }
57
+ },
58
+ {
59
+ "symbol": "2'-fluoro-C",
60
+ "name": "2'-fluoro-C",
61
+ "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",
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](N2C=CC(N)=NC2(=O))[C@H](F)[C@@H]1O",
79
+ "polymerType": "RNA",
80
+ "monomerType": "Backbone",
81
+ "createDate": null,
82
+ "meta": {
83
+ "molecularWeight": 307.18
84
+ }
85
+ },
86
+ {
87
+ "symbol": "2'-fluoro-C-ps",
88
+ "name": "2'-fluoro-C-ps",
89
+ "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",
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]1OP(=O)(S)O",
107
+ "polymerType": "RNA",
108
+ "monomerType": "Backbone",
109
+ "createDate": null,
110
+ "meta": {
111
+ "molecularWeight": 323.25
112
+ }
113
+ },
114
+ {
115
+ "symbol": "2'-fluoro-G",
116
+ "name": "2'-fluoro-G",
117
+ "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",
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](N2C3N=C(N)NC(=O)C=3N=C2)[C@H](F)[C@@H]1O",
135
+ "polymerType": "RNA",
136
+ "monomerType": "Backbone",
137
+ "createDate": null,
138
+ "meta": {
139
+ "molecularWeight": 347.19
140
+ }
141
+ },
142
+ {
143
+ "symbol": "2'-fluoro-G-ps",
144
+ "name": "2'-fluoro-G-ps",
145
+ "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",
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]1OP(=O)(S)O",
163
+ "polymerType": "RNA",
164
+ "monomerType": "Backbone",
165
+ "createDate": null,
166
+ "meta": {
167
+ "molecularWeight": 363.26
168
+ }
169
+ },
170
+ {
171
+ "symbol": "2'-fluoro-U",
172
+ "name": "2'-fluoro-U",
173
+ "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",
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](N2C=CC(=O)NC2(=O))[C@H](F)[C@@H]1O",
191
+ "polymerType": "RNA",
192
+ "monomerType": "Backbone",
193
+ "createDate": null,
194
+ "meta": {
195
+ "molecularWeight": 308.16
196
+ }
197
+ },
198
+ {
199
+ "symbol": "2'-fluoro-U-ps",
200
+ "name": "2'-fluoro-U-ps",
201
+ "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",
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]1OP(=O)(S)O",
219
+ "polymerType": "RNA",
220
+ "monomerType": "Backbone",
221
+ "createDate": null,
222
+ "meta": {
223
+ "molecularWeight": 324.23
224
+ }
225
+ },
226
+ {
227
+ "symbol": "2'MOE-5Me-rC",
228
+ "name": "2'MOE-5Me-rC",
229
+ "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",
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=C(C)C(N)=NC2(=O))[C@H](OCCOC)[C@@H]1O",
247
+ "polymerType": "RNA",
248
+ "monomerType": "Backbone",
249
+ "createDate": null,
250
+ "meta": {
251
+ "molecularWeight": 377.29
252
+ }
253
+ },
254
+ {
255
+ "symbol": "2'MOE-5Me-rU",
256
+ "name": "2'MOE-5Me-rU",
257
+ "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",
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(=O)NC2(=O))[C@H](OCCOC)[C@@H]1O",
275
+ "polymerType": "RNA",
276
+ "monomerType": "Backbone",
277
+ "createDate": null,
278
+ "meta": {
279
+ "molecularWeight": 378.27
280
+ }
281
+ },
282
+ {
283
+ "symbol": "2'MOE-rA",
284
+ "name": "2'MOE-rA",
285
+ "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",
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](N2C3N=CN=C(N)C=3N=C2)[C@H](OCCOC)[C@@H]1O",
303
+ "polymerType": "RNA",
304
+ "monomerType": "Backbone",
305
+ "createDate": null,
306
+ "meta": {
307
+ "molecularWeight": 387.29
308
+ }
309
+ },
310
+ {
311
+ "symbol": "2'MOE-rG",
312
+ "name": "2'MOE-rG",
313
+ "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",
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=C(N)NC(=O)C=3N=C2)[C@H](OCCOC)[C@@H]1O",
331
+ "polymerType": "RNA",
332
+ "monomerType": "Backbone",
333
+ "createDate": null,
334
+ "meta": {
335
+ "molecularWeight": 403.28
336
+ }
337
+ },
338
+ {
339
+ "symbol": "2'OMe-rA",
340
+ "name": "2'OMe-rA",
341
+ "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",
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=CN=C(N)C=3N=C2)[C@H](OC)[C@@H]1O",
359
+ "polymerType": "RNA",
360
+ "monomerType": "Backbone",
361
+ "createDate": null,
362
+ "meta": {
363
+ "molecularWeight": 343.24
364
+ }
365
+ },
366
+ {
367
+ "symbol": "2'OMe-rA-ps",
368
+ "name": "2'OMe-rA-ps",
369
+ "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",
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]1OP(=O)(S)O",
387
+ "polymerType": "RNA",
388
+ "monomerType": "Backbone",
389
+ "createDate": null,
390
+ "meta": {
391
+ "molecularWeight": 359.31
392
+ }
393
+ },
394
+ {
395
+ "symbol": "2'OMe-rC",
396
+ "name": "2'OMe-rC",
397
+ "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",
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](N2C=CC(N)=NC2(=O))[C@H](OC)[C@@H]1O",
415
+ "polymerType": "RNA",
416
+ "monomerType": "Backbone",
417
+ "createDate": null,
418
+ "meta": {
419
+ "molecularWeight": 319.21
420
+ }
421
+ },
422
+ {
423
+ "symbol": "2'OMe-rC-ps",
424
+ "name": "2'OMe-rC-ps",
425
+ "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",
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]1OP(=O)(S)O",
443
+ "polymerType": "RNA",
444
+ "monomerType": "Backbone",
445
+ "createDate": null,
446
+ "meta": {
447
+ "molecularWeight": 335.28
448
+ }
449
+ },
450
+ {
451
+ "symbol": "2'OMe-rG",
452
+ "name": "2'OMe-rG",
453
+ "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",
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](N2C3N=C(N)NC(=O)C=3N=C2)[C@H](OC)[C@@H]1O",
471
+ "polymerType": "RNA",
472
+ "monomerType": "Backbone",
473
+ "createDate": null,
474
+ "meta": {
475
+ "molecularWeight": 359.24
476
+ }
477
+ },
478
+ {
479
+ "symbol": "2'OMe-rG-ps",
480
+ "name": "2'OMe-rG-ps",
481
+ "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",
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]1OP(=O)(S)O",
499
+ "polymerType": "RNA",
500
+ "monomerType": "Backbone",
501
+ "createDate": null,
502
+ "meta": {
503
+ "molecularWeight": 375.31
504
+ }
505
+ },
506
+ {
507
+ "symbol": "2'OMe-rU",
508
+ "name": "2'OMe-rU",
509
+ "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",
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](N2C=CC(=O)NC2(=O))[C@H](OC)[C@@H]1O",
527
+ "polymerType": "RNA",
528
+ "monomerType": "Backbone",
529
+ "createDate": null,
530
+ "meta": {
531
+ "molecularWeight": 320.2
532
+ }
533
+ },
534
+ {
535
+ "symbol": "2'OMe-rU-ps",
536
+ "name": "2'OMe-rU-ps",
537
+ "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",
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]1OP(=O)(S)O",
555
+ "polymerType": "RNA",
556
+ "monomerType": "Backbone",
557
+ "createDate": null,
558
+ "meta": {
559
+ "molecularWeight": 336.27
560
+ }
561
+ },
562
+ {
563
+ "symbol": "5-Methyl-dC",
564
+ "name": "5-Methyl-dC",
565
+ "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",
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=C(C)C(N)=NC2(=O))C[C@@H]1O",
583
+ "polymerType": "RNA",
584
+ "monomerType": "Backbone",
585
+ "createDate": null,
586
+ "meta": {
587
+ "molecularWeight": 303.28
588
+ }
589
+ },
590
+ {
591
+ "symbol": "Adenosine",
592
+ "name": "Adenosine",
593
+ "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",
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](N2C3N=CN=C(N)C=3N=C2)[C@H](O)[C@@H]1O",
611
+ "polymerType": "RNA",
612
+ "monomerType": "Backbone",
613
+ "createDate": null,
614
+ "meta": {
615
+ "molecularWeight": 329.21
616
+ }
617
+ },
618
+ {
619
+ "symbol": "Cytidine",
620
+ "name": "Cytidine",
621
+ "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",
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](N2C=CC(N)=NC2(=O))[C@H](O)[C@@H]1O",
639
+ "polymerType": "RNA",
640
+ "monomerType": "Backbone",
641
+ "createDate": null,
642
+ "meta": {
643
+ "molecularWeight": 305.18
644
+ }
645
+ },
646
+ {
647
+ "symbol": "Deoxyadenosine",
648
+ "name": "Deoxyadenosine",
649
+ "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",
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](N2C3N=CN=C(N)C=3N=C2)C[C@@H]1O",
667
+ "polymerType": "RNA",
668
+ "monomerType": "Backbone",
669
+ "createDate": null,
670
+ "meta": {
671
+ "molecularWeight": 313.21
672
+ }
673
+ },
674
+ {
675
+ "symbol": "Deoxycytidine",
676
+ "name": "Deoxycytidine",
677
+ "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",
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](N2C=CC(N)=NC2(=O))C[C@@H]1O",
695
+ "polymerType": "RNA",
696
+ "monomerType": "Backbone",
697
+ "createDate": null,
698
+ "meta": {
699
+ "molecularWeight": 289.18
700
+ }
701
+ },
702
+ {
703
+ "symbol": "Deoxyguanosine",
704
+ "name": "Deoxyguanosine",
705
+ "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",
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](N2C3N=C(N)NC(=O)C=3N=C2)C[C@@H]1O",
723
+ "polymerType": "RNA",
724
+ "monomerType": "Backbone",
725
+ "createDate": null,
726
+ "meta": {
727
+ "molecularWeight": 329.21
728
+ }
729
+ },
730
+ {
731
+ "symbol": "Deoxythymidine",
732
+ "name": "Deoxythymidine",
733
+ "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",
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](N2C=C(C)C(=O)NC2(=O))C[C@@H]1O",
751
+ "polymerType": "RNA",
752
+ "monomerType": "Backbone",
753
+ "createDate": null,
754
+ "meta": {
755
+ "molecularWeight": 304.2
756
+ }
757
+ },
758
+ {
759
+ "symbol": "Guanosine",
760
+ "name": "Guanosine",
761
+ "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",
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](N2C3N=C(N)NC(=O)C=3N=C2)[C@H](O)[C@@H]1O",
779
+ "polymerType": "RNA",
780
+ "monomerType": "Backbone",
781
+ "createDate": null,
782
+ "meta": {
783
+ "molecularWeight": 345.21
784
+ }
785
+ },
786
+ {
787
+ "symbol": "p",
788
+ "name": "Phosphate",
789
+ "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",
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": "[OH:1]P(=O)(O)[OH:2]",
807
+ "polymerType": "RNA",
808
+ "monomerType": "Backbone",
809
+ "createDate": null,
810
+ "meta": {
811
+ "molecularWeight": 0
812
+ }
813
+ },
814
+ {
815
+ "symbol": "sp",
816
+ "name": "Phosphorothioate",
817
+ "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",
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": "OP(=O)(S)O",
835
+ "polymerType": "RNA",
836
+ "monomerType": "Backbone",
837
+ "createDate": null,
838
+ "meta": {
839
+ "molecularWeight": 16.07
840
+ }
841
+ },
842
+ {
843
+ "symbol": "Rpn linkage",
844
+ "name": "Rpn-linkage",
845
+ "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",
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)(O)O",
863
+ "polymerType": "RNA",
864
+ "monomerType": "Backbone",
865
+ "createDate": null,
866
+ "meta": {
867
+ "molecularWeight": 16.07
868
+ }
869
+ },
870
+ {
871
+ "symbol": "Rps linkage",
872
+ "name": "Rps-linkage",
873
+ "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",
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)(S)O",
891
+ "polymerType": "RNA",
892
+ "monomerType": "Backbone",
893
+ "createDate": null,
894
+ "meta": {
895
+ "molecularWeight": 16.07
896
+ }
897
+ },
898
+ {
899
+ "symbol": "Spn linkage",
900
+ "name": "Spn-linkage",
901
+ "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",
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": "Sps linkage",
928
+ "name": "Sps-linkage",
929
+ "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",
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": "UNA-A",
956
+ "name": "UNA-A",
957
+ "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",
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": "",
975
+ "polymerType": "RNA",
976
+ "monomerType": "Backbone",
977
+ "createDate": null,
978
+ "meta": {
979
+ "molecularWeight": 269.26
980
+ }
981
+ },
982
+ {
983
+ "symbol": "UNA-C",
984
+ "name": "UNA-C",
985
+ "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",
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": 245.23
1008
+ }
1009
+ },
1010
+ {
1011
+ "symbol": "UNA-G",
1012
+ "name": "UNA-G",
1013
+ "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",
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": 285.26
1036
+ }
1037
+ },
1038
+ {
1039
+ "symbol": "UNA-U",
1040
+ "name": "UNA-U",
1041
+ "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",
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": 246.22
1064
+ }
1065
+ },
1066
+ {
1067
+ "symbol": "Uridine",
1068
+ "name": "Uridine",
1069
+ "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",
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": "OC[C@H]1O[C@@H](N2C=CC(=O)NC2(=O))[C@H](O)[C@@H]1O",
1087
+ "polymerType": "RNA",
1088
+ "monomerType": "Backbone",
1089
+ "createDate": null,
1090
+ "meta": {
1091
+ "molecularWeight": 306.17
1092
+ }
1093
+ }
1094
+ ]