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        "formula": "C12H17N5O4S",
        "id": 5,
        "lc_elution_comment": "",
        "lc_elution_time": "",
        "mass_avg": 327.359,
        "mass_monoiso": 327.1001,
        "mass_prot": 328.1079,
        "name": "2-methylthio-N6-methyladenosine",
        "new_abbrev": "\u221e",
        "product_ions": "196",
        "reference_moiety": [
            "A"
        ],
        "short_name": "ms2m6A",
        "smile": "CNc1nc(SC)nc2c1nc[n]2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"
    },
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        "formula": "C15H21N5O5",
        "id": 10,
        "lc_elution_comment": "after m6A (Kellner 2014)",
        "lc_elution_time": "2,59 (Kellner 2014)",
        "mass_avg": 351.358,
        "mass_monoiso": 351.1543,
        "mass_prot": 352.1621,
        "name": "N6-(cis-hydroxyisopentenyl)adenosine",
        "new_abbrev": "\u1efc",
        "product_ions": "220",
        "reference_moiety": [
            "A"
        ],
        "short_name": "io6A",
        "smile": "CC(CO)=CCNc1ncnc2c1nc[n]2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"
    },
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        "formula": "C15H20N6O8",
        "id": 16,
        "lc_elution_comment": "between A and m6A (Kellner 2014)",
        "lc_elution_time": "1,93 (Kellner 2014)",
        "mass_avg": 412.355,
        "mass_monoiso": 426.1499,
        "mass_prot": 427.1577,
        "name": "N6-methyl-N6-threonylcarbamoyladenosine",
        "new_abbrev": "E",
        "product_ions": "295",
        "reference_moiety": [
            "A"
        ],
        "short_name": "m6t6A",
        "smile": "C[C@H]([C@@H](C(=O)O)NC(Nc1c2c([n]([C@H]3[C@H](O)[C@H](O)[C@@H](CO)O3)cn2)ncn1)=O)O"
    },
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        "formula": "C16H22N6O8",
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        "lc_elution_comment": "between A and m6A (Kellner 2014)",
        "lc_elution_time": "1,93 (Kellner 2014)",
        "mass_avg": 426.381,
        "mass_monoiso": 426.1499,
        "mass_prot": 427.1577,
        "name": "N6-hydroxynorvalylcarbamoyladenosine",
        "new_abbrev": "\u221a",
        "product_ions": "295",
        "reference_moiety": [
            "A"
        ],
        "short_name": "hn6A",
        "smile": "CCC(O)C(NC(Nc1ncnc2c1nc[n]2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)=O)C(O)=O"
    },
    "20": {
        "formula": "C15H20N5O11P",
        "id": 20,
        "lc_elution_comment": "",
        "lc_elution_time": "",
        "mass_avg": 477.32,
        "mass_monoiso": 479.1053,
        "mass_prot": null,
        "name": "2'-O-ribosyladenosine (phosphate)",
        "new_abbrev": "\u02a9",
        "product_ions": "",
        "reference_moiety": [
            "A"
        ],
        "short_name": "Ar(p)",
        "smile": "[O-]P(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)O[C@@H]1[C@@H]([C@H](O[C@H]1[n]1c2[n]c[n]c(c2[n]c1)N)CO)O)(=O)[O-]"
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    "26": {
        "formula": "C11H14N4O5",
        "id": 26,
        "lc_elution_comment": "between G and A (Kellner 2014)",
        "lc_elution_time": "1,24 (Kellner 2014)",
        "mass_avg": 282.253,
        "mass_monoiso": 282.0964,
        "mass_prot": 283.1042,
        "name": "1-methylinosine",
        "new_abbrev": "O",
        "product_ions": "151",
        "reference_moiety": [
            "A"
        ],
        "short_name": "m1I",
        "smile": "C[n]1c(=O)c2c([n]([C@H]3[C@H](O)[C@H](O)[C@@H](CO)O3)cn2)nc1"
    },
    "32": {
        "formula": "C12H17N5O4",
        "id": 32,
        "lc_elution_comment": "",
        "lc_elution_time": "",
        "mass_avg": 295.294,
        "mass_monoiso": 295.1281,
        "mass_prot": 296.1359,
        "name": "1,2'-O-dimethyladenosine",
        "new_abbrev": "\u0153",
        "product_ions": "150",
        "reference_moiety": [
            "A"
        ],
        "short_name": "m1Am",
        "smile": "CO[C@H]1[C@H]([n]2c3nc[n](c(=N)c3nc2)C)O[C@H](CO)[C@H]1O"
    },
    "33": {
        "formula": "C12H16N4O5",
        "id": 33,
        "lc_elution_comment": "",
        "lc_elution_time": "",
        "mass_avg": 296.279,
        "mass_monoiso": 296.1121,
        "mass_prot": 297.1199,
        "name": "1,2'-O-dimethylinosine",
        "new_abbrev": "\u03be",
        "product_ions": "151",
        "reference_moiety": [
            "A"
        ],
        "short_name": "m1Im",
        "smile": "CO[C@H]1[C@H]([n]2c3nc[n](c(=O)c3nc2)C)O[C@H](CO)[C@H]1O"
    },
    "37": {
        "formula": "C11H15N5O4",
        "id": 37,
        "lc_elution_comment": "between A and m6A (Kellner 2014, Kellner 2014)",
        "lc_elution_time": "1,65 (Kellner 2014); 1,91 (Kellner 2014)",
        "mass_avg": 281.268,
        "mass_monoiso": 281.1124,
        "mass_prot": 282.1202,
        "name": "2-methyladenosine",
        "new_abbrev": "\u027f",
        "product_ions": "150",
        "reference_moiety": [
            "A"
        ],
        "short_name": "m2A",
        "smile": "Cc1nc2c(nc[n]2[C@H]2[C@H](O)[C@H](O)[C@@H](CO)O2)c(N)n1"
    },
    "41": {
        "formula": "C12H17N5O4",
        "id": 41,
        "lc_elution_comment": "after m6A (Kellner 2014, Kellner 2014)",
        "lc_elution_time": "1,86 (Kellner 2014); 2,57 (Kellner 2014)",
        "mass_avg": 295.294,
        "mass_monoiso": 295.1281,
        "mass_prot": 296.1359,
        "name": "N6,N6-dimethyladenosine",
        "new_abbrev": "\u03b6",
        "product_ions": "164",
        "reference_moiety": [
            "A"
        ],
        "short_name": "m6,6A",
        "smile": "CN(C)c1ncnc2c1nc[n]2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"
    },
    "51": {
        "formula": "C16H23N5O4S",
        "id": 51,
        "lc_elution_comment": "after m6A (Kellner 2014)",
        "lc_elution_time": "3,54 (Kellner 2014)",
        "mass_avg": 381.45,
        "mass_monoiso": 381.1471,
        "mass_prot": 382.1549,
        "name": "2-methylthio-N6-isopentenyladenosine",
        "new_abbrev": "*",
        "product_ions": "250",
        "reference_moiety": [
            "A"
        ],
        "short_name": "ms2i6A",
        "smile": "CC(C)=CCNc1nc(SC)nc2c1nc[n]2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"
    },
    "55": {
        "formula": "C16H22N6O8S",
        "id": 55,
        "lc_elution_comment": "",
        "lc_elution_time": "",
        "mass_avg": 458.446,
        "mass_monoiso": 458.122,
        "mass_prot": 459.1298,
        "name": "2-methylthio-N6-threonylcarbamoyladenosine",
        "new_abbrev": "[",
        "product_ions": "327",
        "reference_moiety": [
            "A"
        ],
        "short_name": "ms2t6A",
        "smile": "CC(O)C(NC(Nc1nc(SC)nc2c1nc[n]2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)=O)C(O)=O"
    },
    "56": {
        "formula": "C15H21N5O4",
        "id": 56,
        "lc_elution_comment": "after m6A (Kellner 2014)",
        "lc_elution_time": "3,24 (Kellner 2014)",
        "mass_avg": 335.358,
        "mass_monoiso": 335.1594,
        "mass_prot": 336.1672,
        "name": "N6-isopentenyladenosine",
        "new_abbrev": "\u0427",
        "product_ions": "204/136/148",
        "reference_moiety": [
            "A"
        ],
        "short_name": "i6A",
        "smile": "CC(C)=CCNc1ncnc2c1nc[n]2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"
    },
    "72": {
        "formula": "",
        "id": 72,
        "lc_elution_comment": "",
        "lc_elution_time": "",
        "mass_avg": 0.0,
        "mass_monoiso": 0.0,
        "mass_prot": null,
        "name": "unknown modified adenosine",
        "new_abbrev": "H",
        "product_ions": "",
        "reference_moiety": [
            "A"
        ],
        "short_name": "xA",
        "smile": ""
    },
    "79": {
        "formula": "C17H24N6O8S",
        "id": 79,
        "lc_elution_comment": "",
        "lc_elution_time": "",
        "mass_avg": 472.473,
        "mass_monoiso": 472.1376,
        "mass_prot": 473.1454,
        "name": "2-methylthio-N6-hydroxynorvalylcarbamoyladenosine",
        "new_abbrev": "\u2248",
        "product_ions": "341",
        "reference_moiety": [
            "A"
        ],
        "short_name": "ms2hn6A",
        "smile": "CCC(O)C(NC(Nc1nc(SC)nc2c1nc[n]2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)=O)C(O)=O"
    },
    "82": {
        "formula": "C12H17N5O4",
        "id": 82,
        "lc_elution_comment": "",
        "lc_elution_time": "",
        "mass_avg": 295.294,
        "mass_monoiso": 295.1281,
        "mass_prot": 296.1359,
        "name": "N6,2'-O-dimethyladenosine",
        "new_abbrev": "\u03c7",
        "product_ions": "150",
        "reference_moiety": [
            "A"
        ],
        "short_name": "m6Am",
        "smile": "CO[C@H]1[C@H]([n]2cnc3c2ncnc3NC)O[C@H](CO)[C@H]1O"
    },
    "83": {
        "formula": "C11H15N5O4",
        "id": 83,
        "lc_elution_comment": "between U and G (Kellner 2014, Kellner 2014)",
        "lc_elution_time": "0,64 (Kellner 2014); 0,72 (Kellner 2014)",
        "mass_avg": 281.268,
        "mass_monoiso": 281.1124,
        "mass_prot": 282.1202,
        "name": "1-methyladenosine",
        "new_abbrev": "\u0462",
        "product_ions": "150",
        "reference_moiety": [
            "A"
        ],
        "short_name": "m1A",
        "smile": "C[n]1c(=N)c2c([n]([C@H]3[C@H](O)[C@H](O)[C@@H](CO)O3)cn2)nc1"
    },
    "96": {
        "formula": "C11H15N5O4",
        "id": 96,
        "lc_elution_comment": "after A (Kellner 2014, Kellner 2014)",
        "lc_elution_time": "1,66 (Kellner 2014); 1,97 (Kellner 2014)",
        "mass_avg": 281.268,
        "mass_monoiso": 281.1124,
        "mass_prot": 282.1202,
        "name": "N6-methyladenosine",
        "new_abbrev": "\u0416",
        "product_ions": "150",
        "reference_moiety": [
            "A"
        ],
        "short_name": "m6A",
        "smile": "CNc1ncnc2c1nc[n]2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"
    },
    "109": {
        "formula": "C10H13N5O4",
        "id": 109,
        "lc_elution_comment": "",
        "lc_elution_time": "1.43",
        "mass_avg": 267.241,
        "mass_monoiso": 267.0968,
        "mass_prot": 268.1046,
        "name": "adenosine",
        "new_abbrev": "A",
        "product_ions": "136",
        "reference_moiety": [
            "A"
        ],
        "short_name": "A",
        "smile": "Nc1ncnc2c1nc[n]2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"
    },
    "113": {
        "formula": "C10H12N4O5",
        "id": 113,
        "lc_elution_comment": "between U and G (Kellner 2014, Kellner 2014)",
        "lc_elution_time": "0,95 (Kellner 2014, Kellner 2014)",
        "mass_avg": 268.226,
        "mass_monoiso": 268.0808,
        "mass_prot": 269.0886,
        "name": "inosine",
        "new_abbrev": "I",
        "product_ions": "137",
        "reference_moiety": [
            "A"
        ],
        "short_name": "I",
        "smile": "OC[C@@H]1[C@@H](O)[C@@H](O)[C@H]([n]2c3nc[nH]c(=O)c3nc2)O1"
    },
    "114": {
        "formula": "C13H16N6O7",
        "id": 114,
        "lc_elution_comment": "",
        "lc_elution_time": "",
        "mass_avg": 368.302,
        "mass_monoiso": 368.108,
        "mass_prot": 369.1158,
        "name": "N6-glycinylcarbamoyladenosine",
        "new_abbrev": "\u2261",
        "product_ions": "237",
        "reference_moiety": [
            "A"
        ],
        "short_name": "g6A",
        "smile": "OC(CNC(Nc1ncnc2c1nc[n]2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)=O)=O"
    },
    "124": {
        "formula": "C13H19N5O4",
        "id": 124,
        "lc_elution_comment": "",
        "lc_elution_time": "",
        "mass_avg": 309.321,
        "mass_monoiso": 309.1437,
        "mass_prot": 310.1515,
        "name": "N6,N6,2'-O-trimethyladenosine",
        "new_abbrev": "\u03b7",
        "product_ions": "164",
        "reference_moiety": [
            "A"
        ],
        "short_name": "m6,6Am",
        "smile": "CN(C)c1ncnc2c1nc[n]2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OC"
    },
    "125": {
        "formula": "C12H15N5O5",
        "id": 125,
        "lc_elution_comment": "",
        "lc_elution_time": "",
        "mass_avg": 309.278,
        "mass_monoiso": 309.1073,
        "mass_prot": 310.1151,
        "name": "N6-acetyladenosine",
        "new_abbrev": "\u21d3",
        "product_ions": "178",
        "reference_moiety": [
            "A"
        ],
        "short_name": "ac6A",
        "smile": "CC(Nc1ncnc2c1nc[n]2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)=O"
    },
    "126": {
        "formula": "C16H23N5O5S",
        "id": 126,
        "lc_elution_comment": "after m6A (Kellner 2014)",
        "lc_elution_time": "3,19 (Kellner 2014)",
        "mass_avg": 397.449,
        "mass_monoiso": 397.142,
        "mass_prot": 398.1498,
        "name": "2-methylthio-N6-(cis-hydroxyisopentenyl) adenosine",
        "new_abbrev": "\u2260",
        "product_ions": "266",
        "reference_moiety": [
            "A"
        ],
        "short_name": "ms2io6A",
        "smile": "CC(CO)=CCNc1nc(SC)nc2c1nc[n]2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"
    },
    "127": {
        "formula": "C11H15N5O4",
        "id": 127,
        "lc_elution_comment": "between A and m6A (Kellner 2014, Kellner 2014)",
        "lc_elution_time": "1,59 (Kellner 2014); 1,83 (Kellner 2014)",
        "mass_avg": 281.268,
        "mass_monoiso": 281.1124,
        "mass_prot": 282.1195,
        "name": "2'-O-methyladenosine",
        "new_abbrev": "\u028d",
        "product_ions": "136",
        "reference_moiety": [
            "A"
        ],
        "short_name": "Am",
        "smile": "CO[C@H]1[C@H]([n]2cnc3c2ncnc3N)O[C@H](CO)[C@H]1O"
    },
    "128": {
        "formula": "C11H14N4O5",
        "id": 128,
        "lc_elution_comment": "",
        "lc_elution_time": "",
        "mass_avg": 282.253,
        "mass_monoiso": 282.0964,
        "mass_prot": 283.1042,
        "name": "2'-O-methylinosine",
        "new_abbrev": "\u0428",
        "product_ions": "137",
        "reference_moiety": [
            "A"
        ],
        "short_name": "Im",
        "smile": "CO[C@H]1[C@H]([n]2cnc3c2nc[nH]c3=O)O[C@H](CO)[C@H]1O"
    },
    "130": {
        "formula": "C15H21N7O7",
        "id": 130,
        "lc_elution_comment": "between A and m6A (Kellner 2014)",
        "lc_elution_time": "1,62 (Kellner 2014)",
        "mass_avg": 411.37,
        "mass_monoiso": 412.1343,
        "mass_prot": 413.1421,
        "name": "N6-threonylcarbamoyladenosine",
        "new_abbrev": "6",
        "product_ions": "281",
        "reference_moiety": [
            "A"
        ],
        "short_name": "t6A",
        "smile": "CC(O)C(N)C(NC(Nc1ncnc2c1nc[n]2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)=O)=O"
    },
    "131": {
        "formula": "C11H15N5O4",
        "id": 131,
        "lc_elution_comment": "",
        "lc_elution_time": "",
        "mass_avg": 281.268,
        "mass_monoiso": 281.1124,
        "mass_prot": 282.1202,
        "name": "8-methyladenosine",
        "new_abbrev": "\u00e2",
        "product_ions": "150",
        "reference_moiety": [
            "A"
        ],
        "short_name": "m8A",
        "smile": "Cc1nc2c(N)ncnc2[n]1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"
    },
    "136": {
        "formula": "C12H17N5O4",
        "id": 136,
        "lc_elution_comment": "",
        "lc_elution_time": "",
        "mass_avg": 295.294,
        "mass_monoiso": 295.1281,
        "mass_prot": 296.1358,
        "name": "2,8-dimethyladenosine",
        "new_abbrev": "\u00b1",
        "product_ions": "164",
        "reference_moiety": [
            "A"
        ],
        "short_name": "m2,8A",
        "smile": "Cc1nc2c(N)nc(C)nc2[n]1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"
    },
    "175": {
        "formula": "C15H18N6O7",
        "id": 175,
        "lc_elution_comment": "between G and A (Kellner 2014); between A and m6A (Kellner 2014);",
        "lc_elution_time": "1,28 (Kellner 2014); 1,47 (Kellner 2014); 1,83 (Kellner 2014)",
        "mass_avg": 394.339,
        "mass_monoiso": 394.1237,
        "mass_prot": 395.1315,
        "name": "cyclic N6-threonylcarbamoyladenosine",
        "new_abbrev": "e",
        "product_ions": "263",
        "reference_moiety": [
            "A"
        ],
        "short_name": "ct6A",
        "smile": "CC(O)C1NC(=Nc2ncnc3c2nc[n]3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)OC1=O"
    },
    "176": {
        "formula": "C11H15N5O5",
        "id": 176,
        "lc_elution_comment": "",
        "lc_elution_time": "",
        "mass_avg": 297.267,
        "mass_monoiso": 297.1073,
        "mass_prot": 298.1151,
        "name": "N6-hydroxymethyladenosine",
        "new_abbrev": "\u03ea",
        "product_ions": "268/136",
        "reference_moiety": [
            "A"
        ],
        "short_name": "hm6A",
        "smile": "O[C@H]1[C@H]([n]2cnc3c(NCO)ncnc23)O[C@H](CO)[C@H]1O"
    },
    "177": {
        "formula": "C11H13N5O5",
        "id": 177,
        "lc_elution_comment": "",
        "lc_elution_time": "",
        "mass_avg": 295.251,
        "mass_monoiso": 295.0917,
        "mass_prot": 296.0995,
        "name": "N6-formyladenosine",
        "new_abbrev": "\u03e8",
        "product_ions": "164",
        "reference_moiety": [
            "A"
        ],
        "short_name": "f6A",
        "smile": "OC[C@H]1O[C@@H]([n]2cnc3c(NC=O)ncnc23)[C@H](O)[C@@H]1O"
    },
    "180": {
        "formula": "C17H21N5O7S",
        "id": 180,
        "lc_elution_comment": "",
        "lc_elution_time": "",
        "mass_avg": 439.443,
        "mass_monoiso": 439.1162,
        "mass_prot": null,
        "name": "2-methylthio cyclic N6-threonylcarbamoyladenosine",
        "new_abbrev": "\u00ff",
        "product_ions": "",
        "reference_moiety": [
            "A"
        ],
        "short_name": "ms2ct6A",
        "smile": "CSc1nc2c(nc[n]2[C@H]2[C@H](O)[C@H](O)[C@@H](CO)O2)c(C2C(=O)[C@H]([C@H](O)C)NC2=O)n1"
    },
    "181": {
        "formula": "C15H20N6O9",
        "id": 181,
        "lc_elution_comment": "",
        "lc_elution_time": "",
        "mass_avg": 428.354,
        "mass_monoiso": 428.1292,
        "mass_prot": null,
        "name": "hydroxy-N6-threonylcarbamoyladenosine",
        "new_abbrev": "\u00ab",
        "product_ions": "",
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        "lc_elution_comment": "after m6A",
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        "short_name": "msms2i6A",
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        "short_name": "pA2'3'cp",
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        "short_name": "LCA",
        "smile": "[O-]P(OC[C@]12CO[C@H]([C@@H]1O)[C@@H](O2)[n]1c[n]c2c1[n]c[n]c2N)(=O)[O-]"
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        "name": "N6-threonylcarbamoyladenosine-5'-monophosphate",
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        "short_name": "pt6A",
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        "short_name": "pppA",
        "smile": "[O-][P@](OP(=O)([O-])[O-])(O[P@]([O-])(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)[n]1c[n]c2c1[n]c[n]c2N)=O)=O"
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        "name": "isoguanosine-5'-monophosphate",
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        "short_name": "IG",
        "smile": "[O-]P(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2C1=NC(=O)NC=2N)(=O)[O-]"
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        "smile": "Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])([O-])=S)[C@@H](O)[C@H]1O"
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        "mass_avg": 549.474,
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        "short_name": "PPU",
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        "name": "5'-O-[(S)-hydroxy(methyl)phosphoryl]adenosine",
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        "short_name": "45A",
        "smile": "CP(OC[C@@H]1[C@@H](O)[C@@H](O)[C@H]([n]2c3c(c(ncn3)N)nc2)O1)(=O)[O-]"
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        "name": "2'-deoxy-2'-(4-ethyl-1H-1,2,3-triazol-1-yl)adenosine 5'-(dihydrogen phosphate)",
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        "product_ions": null,
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        "short_name": "A9Z",
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        "name": "adenosine-3',5'-diphosphate",
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        "short_name": "pAp",
        "smile": "[O-]P(O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(=O)([O-])[O-])[n]1c[n]c2c1[n]c[n]c2N)(=O)[O-]"
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        "mass_avg": 345.205,
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        "name": "adenine arabinose-5'-phosphate",
        "new_abbrev": "\u3420",
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        "short_name": "A5O",
        "smile": "[O-]P(OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)[n]1c[n]c2c1[n]c[n]c2N)(=O)[O-]"
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        "name": "9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-9H-purin-6-amine",
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        "product_ions": "",
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        "short_name": "A5L",
        "smile": "[O-]P(OC[C@H]1O[C@H]([C@@H](F)[C@@H]1O)[n]1c[n]c2c1[n]c[n]c2N)(=O)[O-]"
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}