diff --git "a/synthetic_data/formula_combinations_180-190.csv" "b/synthetic_data/formula_combinations_180-190.csv"
new file mode 100644--- /dev/null
+++ "b/synthetic_data/formula_combinations_180-190.csv"
@@ -0,0 +1,6371 @@
+Formula,Mass_Daltons
+CH11O5S2N,180.0006
+CH3O6N5,180.0011
+C2H7OS2N5,180.0020
+C3H5O7N2,180.0025
+C4H9O2S2N2,180.0033
+C4HO3N6,180.0038
+C6H3O4N3,180.0051
+C8H5O5,180.0065
+CH13O2S3N2,180.0067
+CH5O3SN6,180.0072
+C9HON4,180.0078
+C3H7O4SN3,180.0085
+C11H3O2N,180.0092
+C5H9O5S,180.0098
+C6H5OSN4,180.0112
+CH9O10,180.0123
+C8H7O2SN,180.0125
+C2H13O5S2,180.0132
+C2H5O6N4,180.0137
+C3H9OS2N4,180.0146
+C3HO2N8,180.0150
+C4H7O7N,180.0150
+C5H11O2S2N,180.0159
+C5H3O3N5,180.0164
+C7H5O4N2,180.0177
+CH11O7SN,180.0184
+C2H15O2S3N,180.0193
+C2H7O3SN5,180.0197
+C10H3ON3,180.0204
+C4H9O4SN2,180.0211
+C12H5O2,180.0217
+C7H7OSN3,180.0238
+CH13O4S2N2,180.0244
+CH5O5N6,180.0249
+C9H9O2S,180.0251
+C2HON10,180.0263
+C3H7O6N3,180.0263
+C4H11OS2N3,180.0271
+C4H3O2N7,180.0276
+C5H9O7,180.0276
+C6H13O2S2,180.0285
+C6H5O3N4,180.0289
+C8H7O4N,180.0303
+CH15OS3N3,180.0305
+CH7O2SN7,180.0310
+C2H13O7S,180.0310
+C3H17O2S3,180.0318
+C3H9O3SN4,180.0323
+C11H5ON2,180.0330
+C5H11O4SN,180.0337
+CH11O9N,180.0362
+C8H9OSN2,180.0363
+C2H15O4S2N,180.0370
+C2H7O5N5,180.0375
+C3H3ON9,180.0388
+C4H9O6N2,180.0388
+C5H13OS2N2,180.0397
+C5H5O2N6,180.0402
+C7H7O3N3,180.0415
+CH13O6SN2,180.0422
+C9H9O4,180.0429
+C2H17OS3N2,180.0431
+C2H9O2SN6,180.0435
+C4H11O3SN3,180.0449
+C12H7ON,180.0455
+C6H13O4S,180.0462
+CH15O3S2N3,180.0483
+CH7O4N7,180.0487
+C2H13O9,180.0487
+C9H11OSN,180.0489
+C3H17O4S2,180.0496
+C3H9O5N4,180.0501
+C4H5ON8,180.0514
+C5H11O6N,180.0514
+C6H15OS2N,180.0523
+C6H7O2N5,180.0527
+C8H9O3N2,180.0541
+CH9OSN8,180.0548
+C2H15O6SN,180.0548
+C3H19OS3N,180.0557
+C3H11O2SN5,180.0561
+C5H13O3SN2,180.0575
+C13H9O,180.0581
+CH13O8N2,180.0600
+C2H17O3S2N2,180.0608
+C2H9O4N6,180.0613
+C10H13OS,180.0615
+C4H11O5N3,180.0626
+C5H7ON7,180.0640
+C6H13O6,180.0640
+C7H17OS2,180.0649
+C7H9O2N4,180.0653
+CH15O5SN3,180.0660
+C9H11O3N,180.0667
+C2H11OSN7,180.0674
+C3H17O6S,180.0674
+C4H21OS3,180.0682
+C4H13O2SN4,180.0687
+C6H15O3SN,180.0700
+CH25OS4,180.0716
+CH17O2S2N4,180.0721
+CH9O3N8,180.0725
+C2H15O8N,180.0725
+C3H19O3S2N,180.0734
+C3H11O4N5,180.0739
+C5H13O5N2,180.0752
+C6H9ON6,180.0766
+C8H11O2N3,180.0779
+C2H17O5SN2,180.0786
+C10H13O3,180.0792
+C3H13OSN6,180.0799
+C5H15O2SN3,180.0813
+C7H17O3S,180.0826
+CH15O7N3,180.0838
+C2H19O2S2N3,180.0846
+C2H11O3N7,180.0851
+C3H17O8,180.0851
+C4H21O3S2,180.0860
+C4H13O4N4,180.0865
+C6H15O5N,180.0878
+C7H11ON5,180.0891
+CH25O3S3,180.0894
+CH17O4SN4,180.0898
+C9H13O2N2,180.0905
+C3H19O5SN,180.0912
+C4H15OSN5,180.0925
+C6H17O2SN2,180.0938
+CH19OS2N5,180.0959
+CH11O2N9,180.0963
+C2H17O7N2,180.0964
+C3H21O2S2N2,180.0972
+C3H13O3N6,180.0977
+C5H15O4N3,180.0990
+C7H17O5,180.1004
+C8H13ON4,180.1017
+C2H19O4SN3,180.1024
+C10H15O2N,180.1031
+C4H21O5S,180.1037
+C5H17OSN4,180.1051
+C7H19O2SN,180.1064
+CH25O5S2,180.1071
+CH17O6N4,180.1076
+C2H21OS2N4,180.1085
+C2H13O2N8,180.1089
+C3H19O7N,180.1089
+C4H23O2S2N,180.1098
+C4H15O3N5,180.1103
+C6H17O4N2,180.1116
+CH27O2S3N,180.1132
+CH19O3SN5,180.1136
+C9H15ON3,180.1143
+C3H21O4SN2,180.1150
+C11H17O2,180.1156
+C6H19OSN3,180.1177
+C8H21O2S,180.1190
+CH13ON10,180.1202
+C2H19O6N3,180.1202
+C3H23OS2N3,180.1210
+C3H15O2N7,180.1215
+C4H21O7,180.1215
+C5H25O2S2,180.1224
+C5H17O3N4,180.1228
+C7H19O4N,180.1242
+CH25O7S,180.1249
+C2H29O2S3,180.1257
+C2H21O3SN4,180.1262
+C10H17ON2,180.1269
+C4H23O4SN,180.1276
+C7H21OSN2,180.1302
+CH27O4S2N,180.1309
+CH19O5N5,180.1314
+C2H15ON9,180.1327
+C3H21O6N2,180.1327
+C4H25OS2N2,180.1336
+C4H17O2N6,180.1341
+C6H19O3N3,180.1354
+C8H21O4,180.1368
+CH29OS3N2,180.1370
+CH21O2SN6,180.1374
+C3H23O3SN3,180.1388
+C11H19ON,180.1394
+C5H25O4S,180.1401
+CH25O9,180.1426
+C8H23OSN,180.1428
+C2H29O4S2,180.1435
+C2H21O5N4,180.1440
+C3H17ON8,180.1453
+C4H23O6N,180.1453
+C5H27OS2N,180.1462
+C5H19O2N5,180.1466
+C7H21O3N2,180.1480
+CH27O6SN,180.1487
+C2H31OS3N,180.1496
+C2H23O2SN5,180.1500
+C4H25O3SN2,180.1514
+C12H21O,180.1520
+CH29O3S2N2,180.1547
+CH21O4N6,180.1552
+C9H25OS,180.1554
+C3H23O5N3,180.1565
+C4H19ON7,180.1579
+C5H25O6,180.1579
+C6H29OS2,180.1588
+C6H21O2N4,180.1592
+C8H23O3N,180.1606
+CH23OSN7,180.1613
+C2H29O6S,180.1613
+C3H33OS3,180.1621
+C3H25O2SN4,180.1626
+C5H27O3SN,180.1639
+CH27O8N,180.1664
+C2H31O3S2N,180.1673
+C2H23O4N5,180.1678
+C4H25O5N2,180.1691
+C5H21ON6,180.1705
+C7H23O2N3,180.1718
+CH29O5SN2,180.1725
+C9H25O3,180.1731
+C2H25OSN6,180.1738
+C4H27O2SN3,180.1752
+C6H29O3S,180.1765
+CH31O2S2N3,180.1785
+CH23O3N7,180.1790
+C2H29O8,180.1790
+C3H33O3S2,180.1799
+C3H25O4N4,180.1804
+C5H27O5N,180.1817
+C6H23ON5,180.1830
+C8H25O2N2,180.1844
+C2H31O5SN,180.1851
+C3H27OSN5,180.1864
+C5H29O2SN2,180.1877
+CH29O7N2,180.1903
+C2H33O2S2N2,180.1911
+C2H25O3N6,180.1916
+C4H27O4N3,180.1929
+C6H29O5,180.1943
+C7H25ON4,180.1956
+CH31O4SN3,180.1963
+C9H27O2N,180.1970
+C3H33O5S,180.1976
+C4H29OSN4,180.1990
+C6H31O2SN,180.2003
+CH33OS2N4,180.2024
+CH25O2N8,180.2028
+C2H31O7N,180.2028
+C3H35O2S2N,180.2037
+C3H27O3N5,180.2042
+C5H29O4N2,180.2055
+C8H27ON3,180.2082
+C2H33O4SN2,180.2089
+C10H29O2,180.2095
+C5H31OSN3,180.2116
+C7H33O2S,180.2129
+CH31O6N3,180.2141
+C2H35OS2N3,180.2149
+C2H27O2N7,180.2154
+C3H33O7,180.2154
+C4H37O2S2,180.2163
+C4H29O3N4,180.2167
+C6H31O4N,180.2181
+CH41O2S3,180.2196
+CH33O3SN4,180.2201
+C9H29ON2,180.2208
+C3H35O4SN,180.2215
+C6H33OSN2,180.2241
+CH27ON9,180.2266
+C2H33O6N2,180.2266
+C3H37OS2N2,180.2275
+C3H29O2N6,180.2280
+C5H31O3N3,180.2293
+C7H33O4,180.2307
+C2H35O3SN3,180.2327
+C10H31ON,180.2333
+C4H37O4S,180.2340
+C7H35OSN,180.2367
+CH41O4S2,180.2374
+CH33O5N4,180.2379
+C2H29ON8,180.2392
+C3H35O6N,180.2392
+C4H39OS2N,180.2401
+C4H31O2N5,180.2406
+C6H33O3N2,180.2419
+CH43OS3N,180.2435
+CH35O2SN5,180.2439
+C3H37O3SN2,180.2453
+C11H33O,180.2459
+C8H37OS,180.2493
+C2H35O5N3,180.2504
+C3H31ON7,180.2518
+C4H37O6,180.2518
+C5H41OS2,180.2527
+C5H33O2N4,180.2531
+C7H35O3N,180.2545
+CH41O6S,180.2552
+C2H45OS3,180.2560
+C2H37O2SN4,180.2565
+C4H39O3SN,180.2578
+CH43O3S2N,180.2612
+CH35O4N5,180.2617
+C3H37O5N2,180.2630
+C4H33ON6,180.2644
+C6H35O2N3,180.2657
+C8H37O3,180.2670
+CH37OSN6,180.2677
+C3H39O2SN3,180.2691
+C5H41O3S,180.2704
+CH41O8,180.2729
+C2H45O3S2,180.2738
+C2H37O4N4,180.2743
+C4H39O5N,180.2756
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+C7H37O2N2,180.2783
+CH43O5SN,180.2790
+C2H39OSN5,180.2803
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+CH45O2S2N2,180.2850
+CH37O3N6,180.2855
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+C6H37ON4,180.2895
+C8H39O2N,180.2909
+C2H45O5S,180.2915
+C3H41OSN4,180.2929
+C5H43O2SN,180.2942
+CH43O7N,180.2967
+C2H47O2S2N,180.2976
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+C7H39ON3,180.3021
+CH45O4SN2,180.3028
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+CH47OS2N3,180.3088
+CH39O2N7,180.3093
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+C5H43O4N,180.3120
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+C5H45OSN2,180.3180
+CH45O6N2,180.3205
+C2H49OS2N2,180.3214
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+C4H43O3N3,180.3232
+C6H45O4,180.3246
+CH47O3SN3,180.3266
+C9H43ON,180.3272
+C3H49O4S,180.3279
+C6H47OSN,180.3306
+CH41ON8,180.3331
+C2H47O6N,180.3331
+C3H51OS2N,180.3340
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+C5H45O3N2,180.3358
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+C10H45O,180.3398
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+CH47O5N3,180.3443
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+CH57OS3,180.3499
+CH49O2SN4,180.3504
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+CH57O3S2,180.3677
+CH49O4N4,180.3682
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+CH51OSN5,180.3742
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+CH59O2S2N,180.3915
+CH51O3N5,180.3920
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+CH57O7,180.4032
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+CH59O4SN,180.4093
+C4H57OSN2,180.4119
+CH61OS2N2,180.4153
+CH53O2N6,180.4158
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+CH61O3SN2,180.4331
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+CH55ON7,180.4396
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+C4H8OS3N,180.9696
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