File_Name	Mol_Formula	Nonhydrogen_Atoms	Point_Group	[W1-F12 all-electron, rel. CCSD(T)/CBS (kcal/mol)]
dsgdb9nsd_000018	C3H6O	4	C2	978.8885776
dsgdb9nsd_000019	C2H5NO	4	C1	867.8306536
dsgdb9nsd_000020	CH4N2O	4	C2	752.1532306
dsgdb9nsd_000021	C4H10	4	C1	1303.469655
dsgdb9nsd_000022	C3H8O	4	C1	1108.894622
dsgdb9nsd_000023	C4H2	4	D*H	696.7075328
dsgdb9nsd_000024	C3HN	4	C*V	601.35358
dsgdb9nsd_000025	C2N2	4	D*H	501.1024615
dsgdb9nsd_000026	C3H2O	4	CS	662.9649225
dsgdb9nsd_000027	C2HNO	4	C1	566.9585544
dsgdb9nsd_000029	C4H6	4	D3	1003.912841
dsgdb9nsd_000030	C4H6	4	C1	999.2588662
dsgdb9nsd_000031	C3H5N	4	C1	910.256665
dsgdb9nsd_000032	C2H4N2	4	C1	777.5161229
dsgdb9nsd_000033	C3H4O	4	C1	797.645837
dsgdb9nsd_000034	C2H3NO	4	C1	706.5426084
dsgdb9nsd_000035	C3H6O	4	C1	971.2735301
dsgdb9nsd_000036	C2H5NO	4	C1	856.8991432
dsgdb9nsd_000037	C2H4O2	4	C1	780.6049443
dsgdb9nsd_000038	C2H4O2	4	C1	771.7996494
dsgdb9nsd_000039	C4H10	4	CI	1301.976829
dsgdb9nsd_000040	C3H8O	4	C1	1104.995886
dsgdb9nsd_000041	C3H8O	4	C1	1095.895881
dsgdb9nsd_000042	C2H6O2	4	C1	909.6079896
dsgdb9nsd_000043	C4H8	4	C1	1149.960224
dsgdb9nsd_000044	C3H6O	4	C1	950.2911499
dsgdb9nsd_000045	C3H7N	4	CS	1010.224814
dsgdb9nsd_000046	C3H6O	4	C1	950.2487741
dsgdb9nsd_000047	C4H8	4	D2D	1150.028748
dsgdb9nsd_000048	C3H6O	4	C2V	947.6027988
dsgdb9nsd_000049	C3H7NO	5	C1	1115.40989
dsgdb9nsd_000050	C4H5N	5	CS	1072.623901
dsgdb9nsd_000051	C3H4N2	5	C1	950.7853387
dsgdb9nsd_000053	C3H3NO	5	CS	873.859997
dsgdb9nsd_000054	C5H12	5	C1	1600.554301
dsgdb9nsd_000055	C4H10O	5	C1	1407.29188
dsgdb9nsd_000056	C4H4O	5	C1	965.6909546
dsgdb9nsd_000057	C3H3NO	5	C1	871.0695313
dsgdb9nsd_000058	C2H3N3	5	C1	814.3303294
dsgdb9nsd_000060	C3H4O2	5	C1	937.650906
dsgdb9nsd_000061	C2H4N2O	5	C1	885.3010138
dsgdb9nsd_000062	C2H3NO2	5	C1	822.1337803
dsgdb9nsd_000063	C5H8	5	C1	1295.023465
dsgdb9nsd_000064	C4H7N	5	C1	1206.020128
dsgdb9nsd_000065	C3H6N2	5	C1	1076.647504
dsgdb9nsd_000066	C4H6O	5	C1	1097.397631
dsgdb9nsd_000067	C3H5NO	5	C1	1006.546517
dsgdb9nsd_000068	C4H8O	5	C1	1267.30979
dsgdb9nsd_000069	C3H6O2	5	C1	1070.639816
dsgdb9nsd_000070	C3H7NO	5	C1	1147.367486
dsgdb9nsd_000071	C3H6O2	5	C1	1078.140205
dsgdb9nsd_000072	C4H8O	5	C1	1273.943544
dsgdb9nsd_000073	C3H7NO	5	C1	1162.684849
dsgdb9nsd_000075	C2H6N2O	5	C1	1040.601545
dsgdb9nsd_000076	C3H7NO	5	C1	1141.304985
dsgdb9nsd_000077	C3H6O2	5	C1	1087.51238
dsgdb9nsd_000078	C2H5NO2	5	C1	972.1219732
dsgdb9nsd_000079	C2H5NO2	5	C1	966.7660478
dsgdb9nsd_000080	C2H5NO2	5	C1	967.9210042
dsgdb9nsd_000081	C4H10O	5	C1	1401.304856
dsgdb9nsd_000082	C3H8O2	5	C1	1207.884559
dsgdb9nsd_000083	C5H12	5	C1	1597.689118
dsgdb9nsd_000084	C4H10O	5	C1	1403.594625
dsgdb9nsd_000085	C4H10O	5	C1	1393.128407
dsgdb9nsd_000086	C5H10	5	C2V	1447.399444
dsgdb9nsd_000087	C4H8O	5	C1	1249.680689
dsgdb9nsd_000088	C4H8O	5	C1	1251.199299
dsgdb9nsd_000089	C3H5NO	5	CS	994.3607467
dsgdb9nsd_000090	C4H6O	5	CS	1122.88354
dsgdb9nsd_000091	C3H5NO	5	C1	1009.091018
dsgdb9nsd_000092	C3H4O2	5	CS	941.6254005
dsgdb9nsd_000093	C3H5NO	5	CS	986.9834752
dsgdb9nsd_000094	C3H4O2	5	CS	916.6483073
dsgdb9nsd_000095	C5H10	5	CS	1447.141745
dsgdb9nsd_000096	C4H8O	5	C1	1247.59501
dsgdb9nsd_000097	C4H8O	5	CS	1244.292491
dsgdb9nsd_000098	C4H8O	5	CS	1252.786133
dsgdb9nsd_000100	C5H10	5	C1	1445.163691
dsgdb9nsd_000101	C4H8O	5	C1	1248.164958
dsgdb9nsd_000102	C4H9N	5	C1	1305.567501
dsgdb9nsd_000103	C4H8O	5	C1	1248.510685
dsgdb9nsd_000104	C3H6O2	5	C1	1050.670669
dsgdb9nsd_000106	C4H6O	5	C2V	1073.906888
dsgdb9nsd_000107	C5H4	5	C2V	987.3357528
dsgdb9nsd_000108	C4H3N	5	CS	896.5316078
dsgdb9nsd_000109	C3H2N2	5	C1	803.2806087
dsgdb9nsd_000110	C4H4O	5	C1	961.5632662
dsgdb9nsd_000111	C3H3NO	5	C1	870.0876358
dsgdb9nsd_000112	C2H4N2O	5	C1	884.5528154
dsgdb9nsd_000113	C2H3NO2	5	C1	813.0761324
dsgdb9nsd_000114	C2H3NO2	5	C1	827.0680945
dsgdb9nsd_000115	C5H4	5	C3V	997.4538477
dsgdb9nsd_000116	C4H3N	5	C1	903.7219379
dsgdb9nsd_000117	C4H4O	5	C1	964.3730278
dsgdb9nsd_000118	C4H6O	5	CS	1097.330299
dsgdb9nsd_000119	C5H8	5	C1	1298.258847
dsgdb9nsd_000120	C3H7NO	5	C1	1123.944056
dsgdb9nsd_000121	C5H8	5	C1	1294.181429
dsgdb9nsd_000122	C4H7N	5	C1	1205.231342
dsgdb9nsd_000123	C3H6N2	5	C1	1065.910428
dsgdb9nsd_000124	C4H6O	5	C1	1083.19758
dsgdb9nsd_000125	C3H5NO	5	C1	992.1757586
dsgdb9nsd_000126	C4H6O	5	C1	1096.967404
dsgdb9nsd_000127	C3H5NO	5	C1	1007.376122
dsgdb9nsd_000128	C4H8O	5	C1	1266.018702
dsgdb9nsd_000129	C3H7NO	5	C1	1153.491577
dsgdb9nsd_000130	C3H6O2	5	C1	1078.582392
dsgdb9nsd_000131	C3H6O2	5	C1	1057.258747
dsgdb9nsd_000132	C3H6O2	5	C1	1067.772518
dsgdb9nsd_000133	C5H12	5	C1	1596.707022
dsgdb9nsd_000134	C4H10O	5	C1	1399.599266
dsgdb9nsd_000135	C4H10O	5	C1	1390.384973
dsgdb9nsd_000136	C4H10O	5	C2	1393.635892
dsgdb9nsd_000137	C3H8O2	5	C1	1194.872735
dsgdb9nsd_000138	C3H8O2	5	C1	1201.728208
dsgdb9nsd_000139	C5H6	5	C1	1142.163104
dsgdb9nsd_000140	C4H5N	5	C1	1008.504936
dsgdb9nsd_000141	C4H4O	5	C1	938.0097159
dsgdb9nsd_000142	C4H5N	5	C1	1052.702451
dsgdb9nsd_000143	C3H4N2	5	C1	917.3314079
dsgdb9nsd_000144	C3H3NO	5	C1	845.7387549
dsgdb9nsd_000146	C3H5NO	5	C1	983.9541856
dsgdb9nsd_000147	C3H4O2	5	C1	912.3683851
dsgdb9nsd_000148	C3H5NO	5	C1	986.7929006
dsgdb9nsd_000149	C5H10	5	C1	1444.921453
dsgdb9nsd_000151	C4H9N	5	C1	1307.121773
dsgdb9nsd_000152	C4H8O	5	C1	1237.349173
dsgdb9nsd_000153	C4H8O	5	C1	1247.540888
dsgdb9nsd_000154	C3H7NO	5	C1	1114.552856
dsgdb9nsd_000155	C3H6O2	5	C1	1048.114829
dsgdb9nsd_000156	C5H8	5	CS	1321.985998
dsgdb9nsd_000157	C3H5NO	5	CS	1003.939598
dsgdb9nsd_000158	C4H6O	5	C2V	1117.245838
dsgdb9nsd_000160	C4H8O	5	C1	1262.44811
dsgdb9nsd_000161	C3H6O2	5	C1	1061.752173
dsgdb9nsd_000162	C5H8	5	C1	1292.798573
dsgdb9nsd_000163	C4H6O	5	C1	1086.644804
dsgdb9nsd_000164	C4H6O	5	C1	1092.437871
dsgdb9nsd_000165	C3H4N2	5	CS	939.9468566
dsgdb9nsd_000166	C2H3N3	5	C1	802.813064
dsgdb9nsd_000167	C2H3N3	5	CS	820.0815544
dsgdb9nsd_000168	C2H3N3	5	CS	813.8293823
dsgdb9nsd_000169	C2H3N3	5	CS	806.8227618
dsgdb9nsd_000170	C3H3NO	5	C1	850.4385438
dsgdb9nsd_000171	C2H2N2O	5	CS	716.3480907
dsgdb9nsd_000172	C2H2N2O	5	C1	731.7383134
dsgdb9nsd_000173	C2H2N2O	5	C2V	737.8258897
dsgdb9nsd_000174	CHN3O	5	C1	583.8022585
dsgdb9nsd_000175	C2H2N2O	5	C2V	705.6791114
dsgdb9nsd_000178	C4H5NO	6	C1	1104.096753
dsgdb9nsd_000179	C3H7NO2	6	C1	1213.248121
dsgdb9nsd_000180	C4H9NO	6	C1	1409.846565
dsgdb9nsd_000182	C3H6N2O	6	C1	1120.304376
dsgdb9nsd_000183	C3H5NO2	6	C1	1050.166679
dsgdb9nsd_000184	CF4	5	TD	478.0234339
dsgdb9nsd_000185	C3H4N2O	6	C1	1040.84313
dsgdb9nsd_000186	C3H3NO2	6	CS	965.0202285
dsgdb9nsd_000187	C3H4N2O	6	C1	1066.379843
dsgdb9nsd_000188	C3H3NO2	6	C1	990.7945035
dsgdb9nsd_000189	C3H2O3	6	C2V	914.7186968
dsgdb9nsd_000190	C5H7N	6	C1	1370.236339
dsgdb9nsd_000191	C5H6O	6	C1	1294.27157
dsgdb9nsd_000192	C4H5NO	6	C1	1173.695394
dsgdb9nsd_000193	C4H5NO	6	C1	1174.957284
dsgdb9nsd_000194	C4H6N2	6	C1	1242.453536
dsgdb9nsd_000195	C4H5NO	6	C1	1166.820864
dsgdb9nsd_000196	C3H4N2O	6	C1	1045.382245
dsgdb9nsd_000197	C3H4N2O	6	C1	1050.995217
dsgdb9nsd_000198	C4H5NO	6	C1	1172.869177
dsgdb9nsd_000199	C3H4N2O	6	C1	1049.935724
dsgdb9nsd_000200	C3H4N2O	6	C1	1057.992576
dsgdb9nsd_000201	C5H7N	6	C1	1368.911334
dsgdb9nsd_000202	C4H6N2	6	CS	1249.212699
dsgdb9nsd_000203	C5H6O	6	C1	1291.697464
dsgdb9nsd_000204	C4H5NO	6	C1	1172.906571
dsgdb9nsd_000205	C4H6N2	6	C1	1239.81063
dsgdb9nsd_000206	C3H5N3	6	C1	1122.543599
dsgdb9nsd_000207	C4H5NO	6	C1	1162.60326
dsgdb9nsd_000208	C3H4N2O	6	C1	1045.831316
dsgdb9nsd_000209	C4H5NO	6	C1	1170.313369
dsgdb9nsd_000210	C3H4N2O	6	C1	1055.120816
dsgdb9nsd_000211	C3H3NO2	6	C1	977.2200863
dsgdb9nsd_000213	C4H6N2	6	C1	1241.639311
dsgdb9nsd_000214	C6H6	6	D6H	1368.987978
dsgdb9nsd_000215	C5H5N	6	C2V	1238.898927
dsgdb9nsd_000216	C4H4N2	6	D2H	1106.591756
dsgdb9nsd_000217	C4H4N2	6	C2V	1111.17922
dsgdb9nsd_000218	C3H3N3	6	D3H	985.6597439
dsgdb9nsd_000219	C6H10	6	C1	1591.674533
dsgdb9nsd_000220	C5H9N	6	C1	1502.734029
dsgdb9nsd_000221	C4H8N2	6	C1	1374.793332
dsgdb9nsd_000222	C5H8O	6	C1	1394.228343
dsgdb9nsd_000223	C4H7NO	6	C1	1303.731521
dsgdb9nsd_000224	C5H10O	6	C1	1564.782206
dsgdb9nsd_000225	C4H8O2	6	C1	1369.524844
dsgdb9nsd_000226	C5H12O	6	C1	1698.244591
dsgdb9nsd_000227	C4H10O2	6	C1	1504.652413
dsgdb9nsd_000228	C6H14	6	C1	1894.144422
dsgdb9nsd_000229	C5H12O	6	C1	1701.374966
dsgdb9nsd_000230	C5H12O	6	C1	1689.933673
dsgdb9nsd_000231	C5H6O	6	C1	1266.738989
dsgdb9nsd_000232	C4H5NO	6	C1	1154.8521
dsgdb9nsd_000233	C6H10	6	C1	1594.084183
dsgdb9nsd_000234	C5H8O	6	C1	1397.076176
dsgdb9nsd_000235	C5H6O	6	C1	1263.790798
dsgdb9nsd_000236	C4H5NO	6	C1	1171.912633
dsgdb9nsd_000237	C4H5NO	6	C1	1154.527746
dsgdb9nsd_000238	C3H4N2O	6	C1	1063.707186
dsgdb9nsd_000239	C3H6N2O	6	C1	1191.50144
dsgdb9nsd_000240	C3H5NO2	6	C1	1117.531267
dsgdb9nsd_000241	C4H6O2	6	C1	1235.89642
dsgdb9nsd_000242	C3H6N2O	6	C1	1185.073898
dsgdb9nsd_000243	C3H5NO2	6	C1	1128.267967
dsgdb9nsd_000244	C3H5NO2	6	C1	1119.782633
dsgdb9nsd_000245	C2H5N3O	6	C1	1072.124039
dsgdb9nsd_000246	C3H5NO2	6	C1	1125.563225
dsgdb9nsd_000247	C2H5N3O	6	C1	1068.89406
dsgdb9nsd_000248	C2H4N2O2	6	C1	1012.434075
dsgdb9nsd_000249	C2H4N2O2	6	C1	1005.694014
dsgdb9nsd_000250	C6H10	6	C1	1590.671033
dsgdb9nsd_000251	C5H9N	6	C1	1501.856551
dsgdb9nsd_000252	C5H8O	6	C1	1395.722682
dsgdb9nsd_000253	C4H7NO	6	C1	1305.324598
dsgdb9nsd_000254	C4H8N2	6	C1	1357.021692
dsgdb9nsd_000255	C5H10O	6	C1	1562.302276
dsgdb9nsd_000256	C4H9NO	6	C1	1450.721304
dsgdb9nsd_000257	C4H8O2	6	C1	1377.017929
dsgdb9nsd_000258	C4H8O2	6	C1	1366.499087
dsgdb9nsd_000259	C4H9NO	6	C1	1420.014139
dsgdb9nsd_000260	C4H8O2	6	C1	1371.38947
dsgdb9nsd_000261	C5H10O	6	C1	1568.472232
dsgdb9nsd_000262	C4H9NO	6	C1	1457.294008
dsgdb9nsd_000263	C4H9NO	6	C1	1454.003561
dsgdb9nsd_000264	C3H8N2O	6	C1	1336.757478
dsgdb9nsd_000265	C4H8O2	6	C1	1384.965418
dsgdb9nsd_000266	C3H7NO2	6	C1	1269.613453
dsgdb9nsd_000267	C3H7NO2	6	C1	1256.28308
dsgdb9nsd_000268	C4H8O2	6	C1	1357.140881
dsgdb9nsd_000269	C3H7NO2	6	C1	1244.984533
dsgdb9nsd_000270	C3H7NO2	6	C1	1260.341893
dsgdb9nsd_000271	C3H7NO2	6	C1	1216.022014
dsgdb9nsd_000272	C5H12O	6	C1	1695.143301
dsgdb9nsd_000273	C4H10O2	6	C1	1500.910493
dsgdb9nsd_000274	C6H14	6	C1	1892.413889
dsgdb9nsd_000275	C5H12O	6	C1	1697.955127
dsgdb9nsd_000276	C5H12O	6	C1	1690.859921
dsgdb9nsd_000277	C5H12O	6	C1	1686.767116
dsgdb9nsd_000278	C4H10O2	6	C1	1492.728152
dsgdb9nsd_000279	C4H6O2	6	C2	1240.586137
dsgdb9nsd_000280	C3H6N2O	6	C1	1187.580899
dsgdb9nsd_000281	C3H5NO2	6	C1	1132.25163
dsgdb9nsd_000282	C2H4N2O2	6	C1	1006.043825
dsgdb9nsd_000283	C2H4N2O2	6	C2	1024.728925
dsgdb9nsd_000284	C5H10O	6	C1	1569.042086
dsgdb9nsd_000285	C4H9NO	6	C1	1458.510517
dsgdb9nsd_000286	C3H7NO2	6	C1	1265.113915
dsgdb9nsd_000287	C4H8O2	6	C1	1376.150679
dsgdb9nsd_000288	C3H7NO2	6	C1	1264.820504
dsgdb9nsd_000289	C4H9NO	6	C1	1445.215391
dsgdb9nsd_000290	C3H8N2O	6	C1	1328.666903
dsgdb9nsd_000291	C6H14	6	C2	1892.647831
dsgdb9nsd_000292	C5H12O	6	C1	1698.702315
dsgdb9nsd_000293	C4H10O2	6	C1	1505.244638
dsgdb9nsd_000294	C6H12	6	CS	1744.493447
dsgdb9nsd_000295	C5H10O	6	C1	1547.181073
dsgdb9nsd_000296	C5H10O	6	CS	1541.929377
dsgdb9nsd_000297	C5H10O	6	C1	1551.645928
dsgdb9nsd_000298	C4H8O2	6	C1	1347.623602
dsgdb9nsd_000299	C5H10O	6	C1	1545.756225
dsgdb9nsd_000300	C4H8O2	6	C1	1349.55527
dsgdb9nsd_000301	C6H12	6	C1	1742.661132
dsgdb9nsd_000302	C5H10O	6	C1	1546.967688
dsgdb9nsd_000303	C5H10O	6	C1	1547.930307
dsgdb9nsd_000304	C5H11N	6	C1	1604.406293
dsgdb9nsd_000306	C5H8O	6	CS	1419.423954
dsgdb9nsd_000307	C4H7NO	6	C1	1307.27501
dsgdb9nsd_000308	C4H6O2	6	C1	1241.275576
dsgdb9nsd_000309	C4H7NO	6	CS	1277.961111
dsgdb9nsd_000310	C4H6O2	6	C1	1223.098182
dsgdb9nsd_000311	C6H12	6	C2V	1744.171353
dsgdb9nsd_000312	C5H10O	6	CS	1547.596766
dsgdb9nsd_000313	C5H10O	6	C1	1549.249645
dsgdb9nsd_000314	C4H9NO	6	CS	1409.601341
dsgdb9nsd_000315	C4H8O2	6	C2	1353.601772
dsgdb9nsd_000316	C6H10	6	C1	1581.054105
dsgdb9nsd_000317	C5H8O	6	CS	1375.613914
dsgdb9nsd_000318	C5H9N	6	C1	1437.494176
dsgdb9nsd_000319	C5H8O	6	C1	1387.625086
dsgdb9nsd_000320	C4H7NO	6	C1	1245.535192
dsgdb9nsd_000321	C5H2O	6	C2	950.0358413
dsgdb9nsd_000322	C4HNO	6	C1	853.7512292
dsgdb9nsd_000323	C3N2O	6	C2V	754.1222299
dsgdb9nsd_000324	C4H2O2	6	C1	918.6653299
dsgdb9nsd_000325	C3HNO2	6	CS	821.3128284
dsgdb9nsd_000326	C3H2O3	6	C1	882.5948038
dsgdb9nsd_000327	C6H6	6	CS	1283.054719
dsgdb9nsd_000328	C5H5N	6	C1	1192.46613
dsgdb9nsd_000329	C4H4N2	6	CS	1099.599166
dsgdb9nsd_000330	C4H4N2	6	C1	1060.778015
dsgdb9nsd_000331	C3H3N3	6	C1	966.9173215
dsgdb9nsd_000332	C5H4O	6	CS	1082.729502
dsgdb9nsd_000333	C4H3NO	6	C1	990.4180983
dsgdb9nsd_000334	C3H2N2O	6	CS	895.4801529
dsgdb9nsd_000335	C5H6O	6	C1	1257.422788
dsgdb9nsd_000336	C4H5NO	6	C1	1166.081533
dsgdb9nsd_000337	C4H4O2	6	C1	1059.895806
dsgdb9nsd_000338	C3H3NO2	6	C1	966.9560012
dsgdb9nsd_000339	C4H6O2	6	C1	1227.883318
dsgdb9nsd_000340	C3H6N2O	6	C1	1184.76399
dsgdb9nsd_000341	C3H5NO2	6	C1	1126.358324
dsgdb9nsd_000342	C3H4O3	6	C1	1031.100901
dsgdb9nsd_000343	C3H5N3	6	C1	1104.730569
dsgdb9nsd_000344	C3H6N2O	6	C1	1175.873592
dsgdb9nsd_000345	C5H6O	6	C1	1260.995181
dsgdb9nsd_000346	C4H5NO	6	C1	1166.580509
dsgdb9nsd_000347	C3H5N3	6	C1	1107.078145
dsgdb9nsd_000348	C4H5NO	6	C1	1143.836327
dsgdb9nsd_000349	C4H4O2	6	C1	1071.173294
dsgdb9nsd_000350	C3H3NO2	6	C1	975.6865974
dsgdb9nsd_000351	C4H4O2	6	C1	1058.789883
dsgdb9nsd_000352	C3H3NO2	6	C1	963.7354468
dsgdb9nsd_000354	C3H6N2O	6	C1	1172.003685
dsgdb9nsd_000355	C3H5NO2	6	C1	1112.439247
dsgdb9nsd_000356	C3H4O3	6	C1	1041.307839
dsgdb9nsd_000357	C3H4O3	6	C1	1024.841927
dsgdb9nsd_000358	C5H10O	6	C2	1568.976191
dsgdb9nsd_000359	C4H8O2	6	C1	1366.857408
dsgdb9nsd_000360	C4H9NO	6	C1	1452.012643
dsgdb9nsd_000361	C4H8O2	6	C1	1382.433273
dsgdb9nsd_000362	C3H7NO2	6	C1	1255.474911
dsgdb9nsd_000363	C3H8N2O	6	C1	1328.826366
dsgdb9nsd_000364	C3H7NO2	6	C1	1260.874498
dsgdb9nsd_000365	C3H7NO2	6	C1	1253.174586
dsgdb9nsd_000366	C3H6O3	6	C1	1185.161116
dsgdb9nsd_000367	C3H6O3	6	C2	1164.115514
dsgdb9nsd_000369	C5H8O	6	C1	1392.827679
dsgdb9nsd_000370	C4H7NO	6	C1	1303.306251
dsgdb9nsd_000371	C6H10	6	C1	1589.383848
dsgdb9nsd_000372	C5H9N	6	C1	1500.459294
dsgdb9nsd_000373	C4H8N2	6	C1	1371.409205
dsgdb9nsd_000374	C5H8O	6	C1	1392.312676
dsgdb9nsd_000376	C4H8N2	6	C1	1362.250164
dsgdb9nsd_000377	C5H8O	6	C1	1380.351981
dsgdb9nsd_000378	C4H7NO	6	C1	1292.531706
dsgdb9nsd_000379	C3H6N2O	6	C1	1172.945282
dsgdb9nsd_000380	C3H7N3	6	C1	1241.859912
dsgdb9nsd_000381	C3H6N2O	6	C1	1172.568249
dsgdb9nsd_000382	C4H6O2	6	C1	1196.554254
dsgdb9nsd_000383	C3H5NO2	6	C1	1104.293
dsgdb9nsd_000384	C4H8O2	6	C1	1365.266019
dsgdb9nsd_000385	C5H10O	6	C1	1561.468667
dsgdb9nsd_000386	C4H8O2	6	C1	1368.742051
dsgdb9nsd_000387	C4H9NO	6	C1	1443.446172
dsgdb9nsd_000388	C4H8O2	6	C1	1355.162551
dsgdb9nsd_000389	C3H6O3	6	C1	1171.86456
dsgdb9nsd_000390	C4H10O2	6	C1	1498.070899
dsgdb9nsd_000391	C6H14	6	C1	1891.793879
dsgdb9nsd_000392	C5H12O	6	C1	1695.417441
dsgdb9nsd_000393	C5H12O	6	C1	1687.91854
dsgdb9nsd_000394	C5H12O	6	C1	1697.930278
dsgdb9nsd_000395	C4H10O2	6	C1	1502.427892
dsgdb9nsd_000397	C3H8O3	6	CS	1305.359306
dsgdb9nsd_000398	C6H8	6	C1	1439.175048
dsgdb9nsd_000399	C5H7N	6	C1	1349.820694
dsgdb9nsd_000400	C5H7N	6	C1	1305.336094
dsgdb9nsd_000401	C4H6N2	6	C1	1214.855167
dsgdb9nsd_000402	C5H6O	6	C1	1237.52546
dsgdb9nsd_000403	C4H5NO	6	C1	1145.794816
dsgdb9nsd_000404	C4H6N2	6	C1	1221.332615
dsgdb9nsd_000405	C5H6O	6	C1	1240.449089
dsgdb9nsd_000406	C4H5NO	6	C1	1149.520973
dsgdb9nsd_000407	C5H8O	6	C1	1415.147753
dsgdb9nsd_000408	C4H7NO	6	C1	1281.77497
dsgdb9nsd_000409	C4H6O2	6	C1	1212.820141
dsgdb9nsd_000410	C4H6O2	6	C1	1218.529272
dsgdb9nsd_000411	C5H10O	6	C1	1545.131269
dsgdb9nsd_000412	C4H9NO	6	C1	1416.057064
dsgdb9nsd_000413	C4H8O2	6	C1	1347.814
dsgdb9nsd_000414	C6H12	6	C1	1742.049266
dsgdb9nsd_000415	C5H10O	6	C1	1544.138035
dsgdb9nsd_000416	C5H10O	6	C1	1546.174673
dsgdb9nsd_000417	C5H10O	6	C1	1535.613155
dsgdb9nsd_000418	C4H8O2	6	C1	1350.061118
dsgdb9nsd_000419	C5H8O	6	C1	1419.802367
dsgdb9nsd_000420	C4H7NO	6	C1	1305.755088
dsgdb9nsd_000421	C4H7NO	6	C1	1291.165681
dsgdb9nsd_000422	C4H6O2	6	C1	1238.178459
dsgdb9nsd_000423	C4H7NO	6	C1	1285.687805
dsgdb9nsd_000424	C4H6O2	6	C1	1216.33014
dsgdb9nsd_000425	C4H7NO	6	C1	1301.86554
dsgdb9nsd_000426	C3H6N2O	6	C1	1162.262039
dsgdb9nsd_000427	C3H5NO2	6	C1	1108.717877
dsgdb9nsd_000428	C4H6O2	6	C1	1222.416631
dsgdb9nsd_000429	C3H5NO2	6	C1	1107.2499
dsgdb9nsd_000430	C3H5NO2	6	C1	1092.5638
dsgdb9nsd_000431	C3H4O3	6	C1	1038.326949
dsgdb9nsd_000432	C6H12	6	C1	1742.972728
dsgdb9nsd_000433	C5H10O	6	C1	1548.36059
dsgdb9nsd_000434	C5H10O	6	C1	1543.548646
dsgdb9nsd_000435	C4H8O2	6	C1	1347.118193
dsgdb9nsd_000436	C4H8O2	6	C1	1354.650936
dsgdb9nsd_000437	C3H5N3	6	C1	1112.690891
dsgdb9nsd_000438	C5H6O	6	CS	1293.845824
dsgdb9nsd_000439	C4H5NO	6	C1	1180.37906
dsgdb9nsd_000440	C3H4N2O	6	CS	1058.972074
dsgdb9nsd_000441	C3H3NO2	6	CS	987.3668459
dsgdb9nsd_000442	C4H5NO	6	CS	1165.135374
dsgdb9nsd_000443	C5H6O	6	C1	1298.037613
dsgdb9nsd_000444	C4H5NO	6	C1	1181.201958
dsgdb9nsd_000445	C4H7NO	6	C1	1307.417901
dsgdb9nsd_000446	C3H5NO2	6	C1	1103.996006
dsgdb9nsd_000447	C3H5NO2	6	C1	1109.484198
dsgdb9nsd_000448	C5H8O	6	C1	1438.335597
dsgdb9nsd_000449	C4H7NO	6	C1	1324.113481
dsgdb9nsd_000450	C4H6O2	6	C1	1252.633184
dsgdb9nsd_000451	C4H6O2	6	C1	1232.169396
dsgdb9nsd_000452	C3H4O3	6	C1	1048.348796
dsgdb9nsd_000453	C3H6N2O	6	C2	1202.271028
dsgdb9nsd_000454	C3H5NO2	6	C1	1131.083565
dsgdb9nsd_000455	C3H4O3	6	C2	1058.731136
dsgdb9nsd_000456	C6H10	6	C1	1620.45355
dsgdb9nsd_000457	C5H8O	6	C1	1415.788829
dsgdb9nsd_000458	C4H7NO	6	C1	1305.794345
dsgdb9nsd_000459	C6H10	6	CS	1618.071336
dsgdb9nsd_000460	C4H7NO	6	C1	1303.003905
dsgdb9nsd_000461	C5H8O	6	CS	1423.342933
dsgdb9nsd_000462	C6H10	6	C1	1618.18403
dsgdb9nsd_000463	C4H7NO	6	C1	1301.829019
dsgdb9nsd_000464	C5H8O	6	C1	1416.055866
dsgdb9nsd_000465	C5H8O	6	C1	1423.051624
dsgdb9nsd_000466	C6H12	6	C1	1761.47861
dsgdb9nsd_000467	C5H10O	6	C1	1561.325608
dsgdb9nsd_000468	C5H10O	6	C1	1558.671738
dsgdb9nsd_000469	C4H8O2	6	C1	1360.634722
dsgdb9nsd_000470	C4H8O2	6	C1	1363.067909
dsgdb9nsd_000471	C5H10O	6	C1	1566.636873
dsgdb9nsd_000472	C4H8O2	6	C1	1362.980372
dsgdb9nsd_000473	C6H12	6	C1	1739.714542
dsgdb9nsd_000474	C5H10O	6	C1	1543.303867
dsgdb9nsd_000475	C5H11N	6	C1	1600.602494
dsgdb9nsd_000476	C4H8O2	6	C1	1345.702795
dsgdb9nsd_000477	C3H6O3	6	C1	1151.224975
dsgdb9nsd_000478	C6H10	6	C1	1590.906983
dsgdb9nsd_000479	C5H8O	6	C1	1387.263483
dsgdb9nsd_000480	C5H8O	6	C1	1384.523658
dsgdb9nsd_000481	C5H8O	6	C1	1393.003714
dsgdb9nsd_000482	C5H8O	6	C1	1394.034951
dsgdb9nsd_000483	C4H6O2	6	C1	1186.299914
dsgdb9nsd_000485	C5HN	6	C*V	893.4202086
dsgdb9nsd_000486	C4N2	6	D*H	794.4085845
dsgdb9nsd_000487	C6H6	6	C1	1285.634034
dsgdb9nsd_000488	C5H5N	6	C1	1195.678734
dsgdb9nsd_000489	C4H4N2	6	C1	1104.331705
dsgdb9nsd_000490	C5H2O	6	C1	954.9783383
dsgdb9nsd_000491	C4HNO	6	C1	857.6490358
dsgdb9nsd_000492	C4H2O2	6	C1	920.4121093
dsgdb9nsd_000493	C4H5NO	6	C1	1120.258574
dsgdb9nsd_000494	C3H4N2O	6	C1	1027.693424
dsgdb9nsd_000495	C5H6O	6	C1	1256.777018
dsgdb9nsd_000496	C4H5NO	6	C1	1166.323419
dsgdb9nsd_000497	C4H5NO	6	C1	1141.944587
dsgdb9nsd_000498	C3H4N2O	6	C1	1050.499064
dsgdb9nsd_000499	C4H4O2	6	C1	1065.377967
dsgdb9nsd_000500	C3H3NO2	6	C1	971.9206807
dsgdb9nsd_000501	C3H5NO2	6	C1	1092.667766
dsgdb9nsd_000502	C4H6O2	6	CI	1228.593947
dsgdb9nsd_000503	C3H5NO2	6	C1	1115.260191
dsgdb9nsd_000504	C3H4O3	6	C1	1037.802181
dsgdb9nsd_000505	C6H6	6	C2	1297.667043
dsgdb9nsd_000507	C5H5N	6	C1	1196.813403
dsgdb9nsd_000508	C5H6O	6	C1	1261.308948
dsgdb9nsd_000509	C3H6N2O	6	C1	1174.479542
dsgdb9nsd_000510	C3H5NO2	6	C1	1102.699628
dsgdb9nsd_000511	C6H6	6	C1	1291.901774
dsgdb9nsd_000512	C5H5N	6	C1	1198.234504
dsgdb9nsd_000513	C5H4O	6	C1	1089.857389
dsgdb9nsd_000514	C4H3NO	6	C1	995.280958
dsgdb9nsd_000515	C5H6O	6	C1	1258.806729
dsgdb9nsd_000516	C4H4O2	6	C1	1057.012017
dsgdb9nsd_000517	C6H10	6	C1	1592.647782
dsgdb9nsd_000518	C5H8O	6	C1	1391.708723
dsgdb9nsd_000519	C4H6O2	6	C1	1190.538383
dsgdb9nsd_000520	C4H9NO	6	C1	1418.574795
dsgdb9nsd_000521	C5H8O	6	C1	1396.155494
dsgdb9nsd_000522	C6H10	6	CS	1593.191833
dsgdb9nsd_000523	C5H8O	6	C1	1382.889698
dsgdb9nsd_000524	C4H9NO	6	C1	1421.804041
dsgdb9nsd_000525	C6H10	6	C1	1588.928734
dsgdb9nsd_000526	C5H9N	6	C1	1500.021544
dsgdb9nsd_000527	C4H8N2	6	C1	1362.565676
dsgdb9nsd_000528	C5H8O	6	C1	1381.063125
dsgdb9nsd_000529	C4H7NO	6	C1	1290.195206
dsgdb9nsd_000530	C5H8O	6	C1	1382.329213
dsgdb9nsd_000531	C4H7NO	6	C1	1292.769463
dsgdb9nsd_000532	C5H8O	6	C1	1391.240237
dsgdb9nsd_000533	C4H7NO	6	C1	1301.917284
dsgdb9nsd_000534	C5H10O	6	C1	1560.852654
dsgdb9nsd_000535	C4H9NO	6	C1	1448.403077
dsgdb9nsd_000536	C4H8O2	6	C1	1373.330325
dsgdb9nsd_000537	C4H8O2	6	C1	1355.147767
dsgdb9nsd_000538	C4H8O2	6	C1	1353.260984
dsgdb9nsd_000539	C4H8O2	6	C1	1363.404675
dsgdb9nsd_000540	C3H7NO2	6	C1	1252.387407
dsgdb9nsd_000541	C3H7NO2	6	C1	1231.470125
dsgdb9nsd_000542	C3H6O3	6	C1	1176.84745
dsgdb9nsd_000543	C6H14	6	C2H	1891.458437
dsgdb9nsd_000544	C5H12O	6	CS	1694.375876
dsgdb9nsd_000545	C5H12O	6	C1	1685.013936
dsgdb9nsd_000546	C5H12O	6	C1	1688.145974
dsgdb9nsd_000547	C4H10O2	6	C1	1492.709615
dsgdb9nsd_000548	C4H10O2	6	C1	1487.178527
dsgdb9nsd_000549	C4H10O2	6	C1	1477.519241
dsgdb9nsd_000550	C4H10O2	6	CI	1497.3443
dsgdb9nsd_000551	C6H8	6	C1	1439.388332
dsgdb9nsd_000552	C5H6O	6	C1	1235.19044
dsgdb9nsd_000553	C5H6O	6	CS	1235.424721
dsgdb9nsd_000554	C5H7N	6	C1	1350.153431
dsgdb9nsd_000555	C4H6N2	6	C1	1215.084779
dsgdb9nsd_000556	C4H5NO	6	C1	1143.888699
dsgdb9nsd_000557	C4H5NO	6	CS	1144.725627
dsgdb9nsd_000558	C5H8O	6	C1	1411.331014
dsgdb9nsd_000559	C4H6O2	6	C1	1208.351551
dsgdb9nsd_000560	C4H6O2	6	C1	1207.212841
dsgdb9nsd_000561	C4H7NO	6	C1	1292.202734
dsgdb9nsd_000562	C4H7NO	6	C1	1282.724937
dsgdb9nsd_000563	C6H12	6	C1	1742.114031
dsgdb9nsd_000564	C5H10O	6	C1	1542.604332
dsgdb9nsd_000565	C5H10O	6	C1	1539.267306
dsgdb9nsd_000566	C5H10O	6	C1	1537.750239
dsgdb9nsd_000567	C4H8O2	6	C1	1333.107663
dsgdb9nsd_000568	C5H10O	6	C1	1544.738825
dsgdb9nsd_000569	C4H8O2	6	C1	1346.293281
dsgdb9nsd_000570	C4H8O2	6	C1	1342.107988
dsgdb9nsd_000571	C6H8	6	C1	1436.450847
dsgdb9nsd_000572	C5H6O	6	C1	1235.306906
dsgdb9nsd_000573	C5H7N	6	C1	1296.804952
dsgdb9nsd_000574	C5H7N	6	C1	1347.396393
dsgdb9nsd_000575	C4H6N2	6	C1	1213.357766
dsgdb9nsd_000576	C4H5NO	6	C1	1145.150043
dsgdb9nsd_000577	C4H6N2	6	C1	1205.789882
dsgdb9nsd_000578	C4H7NO	6	C1	1274.14975
dsgdb9nsd_000579	C5H8O	6	C1	1408.784838
dsgdb9nsd_000580	C4H7NO	6	C1	1275.726481
dsgdb9nsd_000581	C4H6O2	6	C1	1207.754131
dsgdb9nsd_000582	C4H7NO	6	C1	1269.271096
dsgdb9nsd_000583	C4H7NO	6	C1	1294.788475
dsgdb9nsd_000584	C4H6O2	6	C1	1219.429316
dsgdb9nsd_000585	C6H8	6	C1	1441.234145
dsgdb9nsd_000586	C5H7N	6	C1	1308.111299
dsgdb9nsd_000587	C5H6O	6	C1	1238.030617
dsgdb9nsd_000588	C6H12	6	C1	1739.702782
dsgdb9nsd_000589	C5H10O	6	C1	1539.858589
dsgdb9nsd_000590	C5H11N	6	C1	1601.74746
dsgdb9nsd_000591	C5H10O	6	C1	1535.141249
dsgdb9nsd_000592	C5H10O	6	C1	1532.996108
dsgdb9nsd_000593	C4H9NO	6	C1	1400.038391
dsgdb9nsd_000594	C4H8O2	6	C1	1331.458248
dsgdb9nsd_000595	C5H10O	6	C1	1542.642811
dsgdb9nsd_000596	C4H8O2	6	C1	1342.519621
dsgdb9nsd_000598	C6H8	6	C1	1438.885377
dsgdb9nsd_000599	C5H7N	6	C1	1349.769502
dsgdb9nsd_000600	C5H7N	6	C1	1306.064099
dsgdb9nsd_000601	C4H6N2	6	C1	1215.60942
dsgdb9nsd_000602	C5H6O	6	C1	1237.852128
dsgdb9nsd_000603	C4H5NO	6	C1	1146.021754
dsgdb9nsd_000604	C5H7N	6	C1	1297.927905
dsgdb9nsd_000605	C4H6N2	6	C1	1207.431052
dsgdb9nsd_000606	C5H6O	6	C1	1240.863703
dsgdb9nsd_000607	C4H5NO	6	C1	1150.68346
dsgdb9nsd_000608	C5H8O	6	C1	1411.986824
dsgdb9nsd_000609	C4H7NO	6	C1	1284.669225
dsgdb9nsd_000610	C4H7NO	6	C1	1279.975555
dsgdb9nsd_000611	C4H6O2	6	C1	1209.274016
dsgdb9nsd_000612	C4H7NO	6	C1	1269.977766
dsgdb9nsd_000613	C4H6O2	6	C1	1213.99391
dsgdb9nsd_000614	C5H10O	6	C1	1542.290094
dsgdb9nsd_000615	C4H9NO	6	C1	1414.426098
dsgdb9nsd_000616	C4H8O2	6	C1	1346.016412
dsgdb9nsd_000617	C6H12	6	C1	1740.065382
dsgdb9nsd_000618	C5H10O	6	C1	1542.983379
dsgdb9nsd_000619	C5H11N	6	C1	1600.34032
dsgdb9nsd_000620	C5H10O	6	C1	1543.277179
dsgdb9nsd_000621	C5H11N	6	C1	1602.405705
dsgdb9nsd_000622	C4H9NO	6	C1	1401.363546
dsgdb9nsd_000623	C5H10O	6	C1	1533.304246
dsgdb9nsd_000624	C4H8O2	6	C1	1335.164545
dsgdb9nsd_000625	C4H8O2	6	C1	1345.414392
dsgdb9nsd_000626	C5H8O	6	C1	1419.336937
dsgdb9nsd_000627	C4H7NO	6	C1	1286.658267
dsgdb9nsd_000628	C4H6O2	6	C1	1214.506447
dsgdb9nsd_000629	C4H7NO	6	C1	1288.164152
dsgdb9nsd_000630	C4H7NO	6	C1	1308.02464
dsgdb9nsd_000631	C3H6N2O	6	C1	1175.633507
dsgdb9nsd_000632	C3H5NO2	6	C1	1105.355801
dsgdb9nsd_000633	C3H6N2O	6	C1	1174.949604
dsgdb9nsd_000634	C6H12	6	CS	1741.38565
dsgdb9nsd_000635	C5H10O	6	C1	1540.588784
dsgdb9nsd_000636	C5H11N	6	CS	1605.180082
dsgdb9nsd_000637	C5H10O	6	C1	1545.975294
dsgdb9nsd_000638	C4H9NO	6	C1	1414.300797
dsgdb9nsd_000639	C4H8O2	6	C1	1347.298175
dsgdb9nsd_000640	C6H10	6	CS	1588.519736
dsgdb9nsd_000641	C5H8O	6	CS	1387.307315
dsgdb9nsd_000642	C5H8O	6	C2V	1384.915983
dsgdb9nsd_000643	C4H7NO	6	C1	1253.505202
dsgdb9nsd_000644	C5H8O	6	CS	1391.474562
dsgdb9nsd_000645	C4H6O2	6	CS	1185.980963
dsgdb9nsd_000646	C6H8	6	C2	1448.711629
dsgdb9nsd_000647	C5H6O	6	C1	1243.866098
dsgdb9nsd_000648	C6H10	6	C2V	1606.659561
dsgdb9nsd_000649	C5H8O	6	CS	1401.565805
dsgdb9nsd_000650	C5H8O	6	CS	1404.627794
dsgdb9nsd_000651	C6H10	6	C1	1576.990999
dsgdb9nsd_000652	C5H8O	6	C1	1369.325478
dsgdb9nsd_000653	C5H8O	6	C1	1383.474286
dsgdb9nsd_000655	C5H8O	6	C1	1415.905841
dsgdb9nsd_000656	C6H10	6	C1	1621.38404
dsgdb9nsd_000657	C4H7NO	6	C1	1299.538402
dsgdb9nsd_000658	C6H12	6	D3D	1766.07385
dsgdb9nsd_000659	C5H10O	6	C1	1561.823254
dsgdb9nsd_000660	C4H8O2	6	C2H	1356.204624
dsgdb9nsd_000661	C4H8O2	6	CS	1361.806113
dsgdb9nsd_000662	C6H10	6	C2	1589.33856
dsgdb9nsd_000663	C5H8O	6	C1	1389.607514
dsgdb9nsd_000664	C4H6O2	6	C2	1187.528345
dsgdb9nsd_000665	C6H10	6	C1	1588.448557
dsgdb9nsd_000666	C5H8O	6	C1	1383.221833
dsgdb9nsd_000667	C5H8O	6	C1	1392.788002
dsgdb9nsd_000668	C4H6O2	6	C1	1186.981402
dsgdb9nsd_000669	C6H8	6	C1	1466.89607
dsgdb9nsd_000670	C4H5NO	6	C1	1146.407315
dsgdb9nsd_000671	C5H7N	6	C1	1333.892922
dsgdb9nsd_000672	C5H6O	6	C1	1266.338612
dsgdb9nsd_000673	C6H10	6	CS	1611.837895
dsgdb9nsd_000674	C5H8O	6	C1	1405.557989
dsgdb9nsd_000675	C5H8O	6	CS	1408.759235
dsgdb9nsd_000676	C4H6O2	6	CS	1200.848251
dsgdb9nsd_000677	C5H8O	6	CS	1414.533879
dsgdb9nsd_000678	C4H7NO	6	CS	1275.202705
dsgdb9nsd_000679	C4H6O2	6	CS	1207.549324
dsgdb9nsd_000680	C4H5NO	6	C1	1130.031639
dsgdb9nsd_000681	C5H6O	6	C1	1267.18747
dsgdb9nsd_000682	C4H5NO	6	C1	1137.389815
dsgdb9nsd_000683	C4H5NO	6	C1	1130.099573
dsgdb9nsd_000684	C4H4O2	6	C1	1060.539731
dsgdb9nsd_000685	C4H5NO	6	C1	1129.806903
dsgdb9nsd_000686	C4H5NO	6	C1	1145.214482
dsgdb9nsd_000687	C4H4O2	6	C1	1076.338694
dsgdb9nsd_000688	C6H10	6	C1	1589.274812
dsgdb9nsd_000689	C5H8O	6	C1	1389.180883
dsgdb9nsd_000690	C5H8O	6	C1	1386.148951
dsgdb9nsd_000691	C5H8O	6	C1	1394.861958
dsgdb9nsd_000692	C4H7NO	6	C1	1264.160176
dsgdb9nsd_000693	C4H6O2	6	C1	1195.222001
dsgdb9nsd_000695	C6H8	6	D2D	1420.032877
dsgdb9nsd_000696	C5H7N	6	CS	1281.126495
dsgdb9nsd_000697	C5H6O	6	C2V	1213.673052
dsgdb9nsd_000698	C4H6N2	6	C2	1146.967913
dsgdb9nsd_000699	C4H5NO	6	CS	1075.759717
dsgdb9nsd_000700	C4H4O2	6	D2D	1003.920722
dsgdb9nsd_000701	C6H10	6	C2	1587.113186
dsgdb9nsd_000702	C5H8O	6	C1	1387.563489
dsgdb9nsd_000703	C5H9N	6	C1	1447.364291
dsgdb9nsd_000704	C4H8N2	6	C1	1325.541661
dsgdb9nsd_000705	C4H7NO	6	C1	1254.85564
dsgdb9nsd_000706	C4H6O2	6	C2	1186.397805
dsgdb9nsd_000707	C6H8	6	C2V	1419.510607
dsgdb9nsd_000708	C5H7N	6	C1	1287.28237
dsgdb9nsd_000709	C5H6O	6	C1	1220.49066
dsgdb9nsd_000710	C5H7N	6	C1	1284.885723
dsgdb9nsd_000711	C4H6N2	6	C2V	1148.088388
dsgdb9nsd_000713	C4H4O2	6	C2V	1013.552441
dsgdb9nsd_000714	C5H7N	6	C1	1300.941626
dsgdb9nsd_000715	C6H8	6	CS	1435.73649
dsgdb9nsd_000716	C5H7N	6	CS	1308.912992
dsgdb9nsd_000717	C5H7N	6	C1	1294.098384
dsgdb9nsd_000718	C5H6O	6	C1	1228.862773
dsgdb9nsd_000719	C6H6	6	D3	1253.811929
dsgdb9nsd_000720	C5H5N	6	CS	1122.699297
dsgdb9nsd_000721	C4H4N2	6	C2V	1088.524201
dsgdb9nsd_000722	C3H3N3	6	CS	942.3187044
dsgdb9nsd_000723	C2H2N4	6	C2V	806.6435514
dsgdb9nsd_000724	C2H2N4	6	C2V	814.0283781
dsgdb9nsd_000725	C2H2N4	6	C2V	793.5380343
dsgdb9nsd_000726	C4H6N2	6	C1	1238.010907
dsgdb9nsd_000727	C4H5NO	6	C1	1150.803527
dsgdb9nsd_000728	C3H5N3	6	C1	1101.082643
dsgdb9nsd_000729	C3H4N2O	6	C1	1017.009133
dsgdb9nsd_000730	C4H6N2	6	C1	1236.073189
dsgdb9nsd_000731	C3H5N3	6	C1	1101.241177
dsgdb9nsd_000732	C4H5NO	6	C1	1147.223285
dsgdb9nsd_000733	C3H4N2O	6	C1	1015.232955
dsgdb9nsd_000734	C3H5N3	6	C1	1120.191035
dsgdb9nsd_000735	C3H4N2O	6	C1	1033.822974
dsgdb9nsd_000736	C4H6N2	6	C1	1238.332895
dsgdb9nsd_000737	C3H5N3	6	CS	1120.103886
dsgdb9nsd_000738	C3H5N3	6	C1	1105.191217
dsgdb9nsd_000739	C2H4N4	6	C1	971.8521504
dsgdb9nsd_000740	C4H5NO	6	C1	1149.920565
dsgdb9nsd_000741	C3H4N2O	6	C1	1032.926163
dsgdb9nsd_000742	C3H4N2O	6	C1	1005.2545
dsgdb9nsd_000743	C2H3N3O	6	C1	874.307838
dsgdb9nsd_000744	C4H6N2	6	C1	1232.374234
dsgdb9nsd_000745	C3H5N3	6	C1	1095.89558
dsgdb9nsd_000746	C3H5N3	6	C1	1113.155988
dsgdb9nsd_000747	C3H5N3	6	C1	1104.611148
dsgdb9nsd_000748	C2H4N4	6	C1	962.7928271
dsgdb9nsd_000749	C3H5N3	6	C1	1100.647609
dsgdb9nsd_000750	C2H4N4	6	C1	966.6246323
dsgdb9nsd_000751	CH3N5	6	C1	820.2517663
dsgdb9nsd_000752	C2H3N3O	6	C1	898.9536878
dsgdb9nsd_000753	CH3N5	6	C1	832.778682
dsgdb9nsd_000754	C2H2N2O2	6	C1	822.9892765
dsgdb9nsd_000755	CHN3O2	6	C1	665.357039
dsgdb9nsd_000756	C3H5N3	6	C1	1109.92375
dsgdb9nsd_000757	C3H4N2O	6	C1	1025.094581
dsgdb9nsd_000758	C2H4N4	6	C1	972.0757634
dsgdb9nsd_000760	C3H5N3	6	C1	1106.389942
dsgdb9nsd_000761	C2H4N4	6	C1	974.1521672
dsgdb9nsd_000762	C3H4N2O	6	C1	1017.170767
dsgdb9nsd_000763	C2H3N3O	6	C1	886.7515773
dsgdb9nsd_000764	C2H4N4	6	C1	995.1583427
dsgdb9nsd_000765	C2H3N3O	6	C1	911.4643949
dsgdb9nsd_000767	C2H4N4	6	C1	996.0720655
dsgdb9nsd_000768	C2H4N4	6	C1	978.5999859
dsgdb9nsd_000769	CH3N5	6	C1	847.040241
dsgdb9nsd_000770	C3H4N2O	6	C1	1024.42575
dsgdb9nsd_000771	C2H3N3O	6	C1	908.953196
dsgdb9nsd_000772	C2H3N3O	6	C1	878.8686963
dsgdb9nsd_000773	CH2N4O	6	C1	749.001928
dsgdb9nsd_000774	C2H3N3O	6	C1	933.123381
dsgdb9nsd_000775	C2H2N2O2	6	CS	847.1706626
dsgdb9nsd_000776	CH2N4O	6	CS	783.2632502
dsgdb9nsd_000777	CHN3O2	6	C1	698.9972146
dsgdb9nsd_000778	C2HNO3	6	CS	771.3147038
dsgdb9nsd_000780	C3H4N2O	6	C1	1040.498163
dsgdb9nsd_000781	C3H4N2O	6	C1	1036.343285
dsgdb9nsd_000782	C2H3N3O	6	C1	905.7162008
dsgdb9nsd_000783	C2H3N3O	6	C1	927.1425252
dsgdb9nsd_000784	C3H4N2O	6	C1	1044.587586
dsgdb9nsd_000785	C2H3N3O	6	C1	926.416936
dsgdb9nsd_000786	C2H3N3O	6	C1	909.5082093
dsgdb9nsd_000788	C3H3NO2	6	C1	955.4405367
dsgdb9nsd_000789	C2H2N2O2	6	C1	837.5797885
dsgdb9nsd_000791	C5H7NO	7	C1	1404.337992
dsgdb9nsd_000792	C5H7NO	7	C1	1400.552961
dsgdb9nsd_000793	C4H6N2O	7	C1	1310.358636
dsgdb9nsd_000794	C4H7NO2	7	C1	1373.101297
dsgdb9nsd_000799	C3H6N2O2	7	C1	1270.799358
dsgdb9nsd_000802	C5H9NO	7	C1	1553.229336
dsgdb9nsd_000803	C4H8N2O	7	C1	1411.659565
dsgdb9nsd_000804	C4H7NO2	7	C1	1357.370192
dsgdb9nsd_000805	C5H3NO	7	CS	1090.688663
dsgdb9nsd_000806	C5H7NO	7	C1	1398.588561
dsgdb9nsd_000807	C4H5NO2	7	C1	1197.757014
dsgdb9nsd_000810	C5H9NO	7	C1	1553.390568
dsgdb9nsd_000811	C4H8N2O	7	C1	1419.33855
dsgdb9nsd_000812	C4H7NO2	7	C1	1350.20409
dsgdb9nsd_000813	C4H7NO2	7	C1	1356.473663
dsgdb9nsd_000814	C5H7NO	7	C1	1430.183037
dsgdb9nsd_000815	C5H7NO	7	C1	1432.313765
dsgdb9nsd_000816	C4H6N2O	7	C1	1302.574117
dsgdb9nsd_000817	C5H9NO	7	C1	1574.364408
dsgdb9nsd_000818	C4H7NO2	7	C1	1368.608053
dsgdb9nsd_000819	C5H9NO	7	C1	1552.682925
dsgdb9nsd_000820	C4H8N2O	7	C1	1421.068788
dsgdb9nsd_000821	C4H7NO2	7	C1	1352.115509
dsgdb9nsd_000822	C5H7NO	7	C1	1399.453677
dsgdb9nsd_000823	C4H6N2O	7	C1	1263.440366
dsgdb9nsd_000824	C4H5NO2	7	C1	1194.791761
dsgdb9nsd_000826	C3HF3	6	C3V	738.7733538
dsgdb9nsd_000827	C2F3N	6	C3V	641.1120987
dsgdb9nsd_000828	C2HF3O	6	C1	711.3672027
dsgdb9nsd_000829	C2H4F3N	6	C1	924.3295256
dsgdb9nsd_000830	C2H3F3O	6	C1	853.4226715
dsgdb9nsd_000831	C3H5F3	6	CS	1055.80253
dsgdb9nsd_000832	C6H9N	7	C1	1666.585526
dsgdb9nsd_000833	C6H8O	7	C1	1591.262335
dsgdb9nsd_000834	C5H8N2	7	C1	1537.492364
dsgdb9nsd_000835	C5H7NO	7	C1	1462.237816
dsgdb9nsd_000836	C5H7NO	7	C1	1467.986519
dsgdb9nsd_000837	C5H6O2	7	C1	1391.71112
dsgdb9nsd_000838	C5H8N2	7	C1	1538.814909
dsgdb9nsd_000839	C5H7NO	7	C1	1469.47381
dsgdb9nsd_000840	C4H6N2O	7	C1	1356.618662
dsgdb9nsd_000841	C5H7NO	7	C1	1464.066404
dsgdb9nsd_000842	C4H6N2O	7	C1	1350.24757
dsgdb9nsd_000843	C4H5NO2	7	C1	1278.588307
dsgdb9nsd_000844	C5H8N2	7	C1	1548.690754
dsgdb9nsd_000845	C5H7NO	7	C1	1473.985409
dsgdb9nsd_000846	C4H6N2O	7	C1	1346.894002
dsgdb9nsd_000847	C4H6N2O	7	C1	1354.508949
dsgdb9nsd_000848	C4H5NO2	7	C1	1278.425186
dsgdb9nsd_000849	C4H7N3	7	C1	1409.740033
dsgdb9nsd_000850	C4H6N2O	7	C1	1335.204561
dsgdb9nsd_000851	C4H6N2O	7	C1	1340.252712
dsgdb9nsd_000852	C4H5NO2	7	C1	1264.708418
dsgdb9nsd_000853	C4H6N2O	7	C1	1340.359727
dsgdb9nsd_000854	C3H5N3O	7	C1	1229.42925
dsgdb9nsd_000856	C3H5N3O	7	C1	1223.242854
dsgdb9nsd_000857	C3H5N3O	7	C1	1229.068583
dsgdb9nsd_000858	C3H4N2O2	7	C1	1154.815553
dsgdb9nsd_000859	C4H5NO2	7	C1	1270.469771
dsgdb9nsd_000860	C3H4N2O2	7	C1	1161.585258
dsgdb9nsd_000861	C6H9N	7	CS	1667.833404
dsgdb9nsd_000862	C6H8O	7	C2V	1593.684164
dsgdb9nsd_000863	C5H8N2	7	C1	1540.047168
dsgdb9nsd_000864	C5H7NO	7	C1	1465.999635
dsgdb9nsd_000865	C5H7NO	7	C1	1470.429696
dsgdb9nsd_000866	C5H7NO	7	C1	1474.684204
dsgdb9nsd_000867	C4H6N2O	7	C1	1350.538195
dsgdb9nsd_000868	C4H6N2O	7	C1	1355.993091
dsgdb9nsd_000869	C4H5NO2	7	C1	1281.274876
dsgdb9nsd_000870	C4H6N2O	7	C1	1346.21921
dsgdb9nsd_000871	C4H6N2O	7	C1	1349.461922
dsgdb9nsd_000872	C4H7N3	7	C1	1411.970126
dsgdb9nsd_000873	C4H6N2O	7	C1	1338.25351
dsgdb9nsd_000875	C4H5NO2	7	C1	1268.834362
dsgdb9nsd_000876	C3H5N3O	7	C1	1222.485306
dsgdb9nsd_000877	C3H5N3O	7	C1	1227.490905
dsgdb9nsd_000878	C3H4N2O2	7	C1	1153.417356
dsgdb9nsd_000879	C4H5NO2	7	C1	1271.961411
dsgdb9nsd_000880	C3H4N2O2	7	C1	1156.538381
dsgdb9nsd_000881	C4H6N2O	7	C1	1341.119353
dsgdb9nsd_000882	C4H6N2O	7	C1	1365.18657
dsgdb9nsd_000883	C4H5NO2	7	C1	1291.289062
dsgdb9nsd_000884	C4H6N2O	7	C1	1340.327988
dsgdb9nsd_000885	C4H5NO2	7	C1	1266.14635
dsgdb9nsd_000886	C4H5NO2	7	C1	1290.276657
dsgdb9nsd_000887	C4H4O3	7	C1	1215.945358
dsgdb9nsd_000888	C3H5N3O	7	C1	1211.865661
dsgdb9nsd_000889	C3H5N3O	7	C1	1235.900907
dsgdb9nsd_000890	C3H4N2O2	7	C1	1162.29504
dsgdb9nsd_000891	C3H4N2O2	7	C1	1138.171385
dsgdb9nsd_000892	C3H4N2O2	7	C1	1161.073618
dsgdb9nsd_000893	C3H3NO3	7	C1	1087.043868
dsgdb9nsd_000894	C3H4N2O2	7	C1	1141.788983
dsgdb9nsd_000895	C3H4N2O2	7	C1	1165.114032
dsgdb9nsd_000896	C3H3NO3	7	C1	1092.245646
dsgdb9nsd_000897	C3H4N2O2	7	C1	1140.216212
dsgdb9nsd_000898	C3H3NO3	7	C1	1066.58047
dsgdb9nsd_000899	C3H2O4	7	C1	1016.043396
dsgdb9nsd_000900	C6H9N	7	C1	1659.279966
dsgdb9nsd_000901	C5H8N2	7	C1	1530.292621
dsgdb9nsd_000902	C5H7NO	7	C1	1460.90365
dsgdb9nsd_000903	C5H8N2	7	C1	1540.090423
dsgdb9nsd_000904	C4H7N3	7	C1	1413.661791
dsgdb9nsd_000905	C4H6N2O	7	C1	1346.401564
dsgdb9nsd_000906	C4H4N2O	7	CS	1198.727984
dsgdb9nsd_000908	C3H3N3O	7	CS	1073.852439
dsgdb9nsd_000909	C5H5NO	7	CS	1341.068813
dsgdb9nsd_000910	C4H4N2O	7	C1	1216.951701
dsgdb9nsd_000911	C5H4O2	7	CS	1260.635913
dsgdb9nsd_000912	C4H3NO2	7	C1	1138.424779
dsgdb9nsd_000913	C3H2N2O2	7	CS	1014.650325
dsgdb9nsd_000914	C3H4N4	7	C1	1156.556466
dsgdb9nsd_000915	C5H5NO	7	CS	1323.748785
dsgdb9nsd_000916	C4H4N2O	7	C1	1193.498289
dsgdb9nsd_000917	C4H4N2O	7	C1	1190.727213
dsgdb9nsd_000918	C4H4N2O	7	CS	1201.310995
dsgdb9nsd_000919	C3H3N3O	7	C1	1073.675394
dsgdb9nsd_000920	C5H5NO	7	CS	1350.569539
dsgdb9nsd_000921	C4H4N2O	7	CS	1221.952701
dsgdb9nsd_000922	C4H4N2O	7	CS	1216.209922
dsgdb9nsd_000923	C4H4N2O	7	CS	1225.996642
dsgdb9nsd_000924	C3H3N3O	7	C1	1100.10573
dsgdb9nsd_000925	C5H4O2	7	CS	1269.503846
dsgdb9nsd_000926	C4H3NO2	7	C1	1140.086977
dsgdb9nsd_000927	C4H3NO2	7	CS	1134.630154
dsgdb9nsd_000928	C4H3NO2	7	CS	1146.468905
dsgdb9nsd_000929	C3H2N2O2	7	C1	1019.579626
dsgdb9nsd_000930	C7H8	7	C1	1665.846037
dsgdb9nsd_000931	C6H7N	7	C1	1536.704701
dsgdb9nsd_000932	C6H7N	7	C1	1536.064177
dsgdb9nsd_000933	C5H6N2	7	CS	1405.960097
dsgdb9nsd_000934	C5H6N2	7	C1	1408.60067
dsgdb9nsd_000935	C6H7N	7	C1	1537.865161
dsgdb9nsd_000936	C5H6N2	7	C1	1411.221401
dsgdb9nsd_000938	C5H6N2	7	C1	1411.215326
dsgdb9nsd_000940	C6H7N	7	CS	1541.309121
dsgdb9nsd_000941	C5H6N2	7	C1	1410.792065
dsgdb9nsd_000942	C4H5N3	7	C1	1285.170147
dsgdb9nsd_000943	C4H5N3	7	CS	1282.783754
dsgdb9nsd_000944	C5H6N2	7	C1	1417.6258
dsgdb9nsd_000946	C4H5N3	7	C1	1285.170078
dsgdb9nsd_000947	C4H5N3	7	C1	1292.965271
dsgdb9nsd_000948	C3H4N4	7	C2V	1172.79835
dsgdb9nsd_000949	C6H6O	7	C1	1472.353157
dsgdb9nsd_000950	C5H5NO	7	CS	1344.063069
dsgdb9nsd_000951	C5H5NO	7	CS	1341.010787
dsgdb9nsd_000952	C4H4N2O	7	CS	1218.069697
dsgdb9nsd_000953	C4H4N2O	7	CS	1212.658752
dsgdb9nsd_000954	C5H5NO	7	CS	1351.503135
dsgdb9nsd_000955	C4H4N2O	7	C1	1225.239997
dsgdb9nsd_000956	C4H4N2O	7	CS	1218.06971
dsgdb9nsd_000957	C4H4N2O	7	CS	1225.623048
dsgdb9nsd_000958	C3H3N3O	7	CS	1101.816898
dsgdb9nsd_000959	C6H9N	7	C1	1666.370077
dsgdb9nsd_000960	C6H8O	7	C1	1591.065128
dsgdb9nsd_000961	C5H8N2	7	C1	1546.956926
dsgdb9nsd_000962	C5H7NO	7	C1	1472.562958
dsgdb9nsd_000963	C5H8N2	7	C1	1537.413756
dsgdb9nsd_000964	C5H7NO	7	C1	1461.8226
dsgdb9nsd_000965	C4H6N2O	7	C1	1345.090559
dsgdb9nsd_000966	C5H8N2	7	C1	1539.078538
dsgdb9nsd_000967	C5H7NO	7	C1	1463.254162
dsgdb9nsd_000968	C4H6N2O	7	C1	1344.827984
dsgdb9nsd_000969	C5H7NO	7	C1	1468.326974
dsgdb9nsd_000970	C5H6O2	7	C1	1391.763511
dsgdb9nsd_000971	C4H6N2O	7	C1	1353.088212
dsgdb9nsd_000972	C4H5NO2	7	C1	1276.948731
dsgdb9nsd_000973	C5H7NO	7	C1	1468.913175
dsgdb9nsd_000974	C4H6N2O	7	C1	1348.129864
dsgdb9nsd_000975	C4H6N2O	7	C1	1336.108137
dsgdb9nsd_000976	C3H5N3O	7	C1	1217.445745
dsgdb9nsd_000977	C4H6N2O	7	C1	1340.757104
dsgdb9nsd_000978	C4H5NO2	7	C1	1263.531085
dsgdb9nsd_000979	C3H5N3O	7	C1	1225.029637
dsgdb9nsd_000980	C3H4N2O2	7	C1	1147.733193
dsgdb9nsd_000981	C4H6N2O	7	C1	1342.612612
dsgdb9nsd_000982	C3H5N3O	7	CS	1223.350152
dsgdb9nsd_000983	C4H5NO2	7	C1	1264.232452
dsgdb9nsd_000984	C4H5NO2	7	C1	1270.202138
dsgdb9nsd_000985	C3H4N2O2	7	C1	1152.73364
dsgdb9nsd_000986	C6H9N	7	C1	1665.724332
dsgdb9nsd_000987	C5H8N2	7	C1	1536.745075
dsgdb9nsd_000988	C5H7NO	7	C1	1467.088145
dsgdb9nsd_000989	C6H8O	7	C1	1589.077447
dsgdb9nsd_000990	C5H7NO	7	C1	1460.168277
dsgdb9nsd_000991	C4H7N3	7	C1	1408.276712
dsgdb9nsd_000992	C4H6N2O	7	C1	1339.817546
dsgdb9nsd_000993	C4H6N2O	7	C1	1331.913393
dsgdb9nsd_000994	C4H5NO2	7	C1	1268.160643
dsgdb9nsd_000995	C6H9N	7	C1	1660.790701
dsgdb9nsd_000996	C5H8N2	7	C1	1533.044319
dsgdb9nsd_000997	C5H7NO	7	C1	1463.702587
dsgdb9nsd_000998	C5H8N2	7	C1	1540.991382
dsgdb9nsd_000999	C4H6N2O	7	C1	1349.151964
dsgdb9nsd_001000	C5H8N2	7	C1	1539.840266
dsgdb9nsd_001001	C4H6N2O	7	C1	1341.451638
dsgdb9nsd_001002	C4H6N2O	7	C1	1358.449427
dsgdb9nsd_001003	C4H6N2O	7	C1	1332.79825
dsgdb9nsd_001004	C4H5NO2	7	C1	1282.965562
dsgdb9nsd_001005	C6H5N	7	C1	1363.606193
dsgdb9nsd_001006	C6H4O	7	CS	1284.153764
dsgdb9nsd_001007	C5H4N2	7	CS	1240.964902
dsgdb9nsd_001008	C5H3NO	7	CS	1162.633305
dsgdb9nsd_001009	C5H4N2	7	C1	1239.641484
dsgdb9nsd_001010	C5H3NO	7	CS	1160.795782
dsgdb9nsd_001011	C5H4N2	7	C1	1272.166839
dsgdb9nsd_001012	C5H3NO	7	C1	1191.095021
dsgdb9nsd_001013	C4H3N3	7	CS	1148.37125
dsgdb9nsd_001014	C4H2N2O	7	CS	1068.272185
dsgdb9nsd_001015	C4H3N3	7	C1	1146.30269
dsgdb9nsd_001016	C4H2N2O	7	C1	1065.518774
dsgdb9nsd_001017	C6H5N	7	CS	1363.306532
dsgdb9nsd_001019	C6H4O	7	CS	1284.229461
dsgdb9nsd_001020	C5H3NO	7	CS	1162.212742
dsgdb9nsd_001021	C5H4N2	7	CS	1273.650642
dsgdb9nsd_001022	C4H3N3	7	C1	1149.031911
dsgdb9nsd_001023	C5H3NO	7	C1	1192.862264
dsgdb9nsd_001024	C4H2N2O	7	CS	1069.351006
dsgdb9nsd_001025	C5H5NO	7	C1	1337.099238
dsgdb9nsd_001026	C5H4O2	7	C1	1257.72248
dsgdb9nsd_001027	C4H4N2O	7	C1	1213.07651
dsgdb9nsd_001028	C4H3NO2	7	C1	1135.375949
dsgdb9nsd_001029	C4H4N2O	7	C1	1210.26218
dsgdb9nsd_001030	C4H3NO2	7	C1	1131.992449
dsgdb9nsd_001031	C5H5NO	7	C1	1337.580626
dsgdb9nsd_001032	C4H4N2O	7	C1	1212.587341
dsgdb9nsd_001033	C5H4O2	7	C1	1256.752231
dsgdb9nsd_001034	C4H3NO2	7	C1	1133.90897
dsgdb9nsd_001035	C5H5NO	7	CS	1339.600133
dsgdb9nsd_001036	C4H4N2O	7	C1	1214.631754
dsgdb9nsd_001037	C4H6N2O	7	C1	1327.796535
dsgdb9nsd_001038	C4H5NO2	7	C1	1252.343061
dsgdb9nsd_001039	C6H9N	7	C1	1664.71684
dsgdb9nsd_001040	C6H8O	7	C1	1588.821536
dsgdb9nsd_001041	C5H7NO	7	C1	1468.258023
dsgdb9nsd_001042	C5H8N2	7	C1	1544.734131
dsgdb9nsd_001043	C5H7NO	7	C1	1469.394004
dsgdb9nsd_001044	C5H8N2	7	C1	1529.6778
dsgdb9nsd_001045	C5H7NO	7	C1	1454.151227
dsgdb9nsd_001046	C4H6N2O	7	C1	1332.899411
dsgdb9nsd_001047	C4H6N2O	7	C1	1339.543005
dsgdb9nsd_001048	C5H7NO	7	C1	1458.259086
dsgdb9nsd_001049	C5H6O2	7	C1	1380.81716
dsgdb9nsd_001050	C4H6N2O	7	C1	1335.536514
dsgdb9nsd_001051	C4H5NO2	7	C1	1258.947517
dsgdb9nsd_001052	C4H6N2O	7	C1	1342.314451
dsgdb9nsd_001053	C4H5NO2	7	C1	1266.289673
dsgdb9nsd_001054	C4H6N2O	7	C1	1339.803622
dsgdb9nsd_001055	C5H7NO	7	C1	1467.197382
dsgdb9nsd_001056	C5H6O2	7	C1	1389.496852
dsgdb9nsd_001057	C4H6N2O	7	C1	1345.300825
dsgdb9nsd_001058	C4H5NO2	7	C1	1268.296298
dsgdb9nsd_001059	C4H6N2O	7	C1	1347.432845
dsgdb9nsd_001060	C4H5NO2	7	C1	1270.878989
dsgdb9nsd_001061	C6H9N	7	C1	1663.562524
dsgdb9nsd_001062	C5H8N2	7	C1	1543.98292
dsgdb9nsd_001063	C6H8O	7	C1	1586.279941
dsgdb9nsd_001064	C5H7NO	7	C1	1467.536965
dsgdb9nsd_001065	C5H8N2	7	C1	1528.541744
dsgdb9nsd_001066	C4H7N3	7	C1	1411.109892
dsgdb9nsd_001067	C5H7NO	7	C1	1451.529015
dsgdb9nsd_001068	C4H6N2O	7	C1	1334.705547
dsgdb9nsd_001069	C5H7NO	7	C1	1455.665702
dsgdb9nsd_001070	C4H6N2O	7	C1	1338.185903
dsgdb9nsd_001071	C5H6O2	7	C1	1378.157134
dsgdb9nsd_001072	C4H5NO2	7	C1	1260.36203
dsgdb9nsd_001073	C5H7NO	7	C1	1466.19769
dsgdb9nsd_001074	C4H6N2O	7	C1	1345.641581
dsgdb9nsd_001075	C5H6O2	7	C1	1388.035201
dsgdb9nsd_001076	C4H5NO2	7	C1	1268.758101
dsgdb9nsd_001077	C6H9N	7	C1	1659.717924
dsgdb9nsd_001078	C5H8N2	7	C1	1538.2625
dsgdb9nsd_001079	C6H7N	7	C1	1497.873924
dsgdb9nsd_001080	C5H6N2	7	C1	1374.55117
dsgdb9nsd_001081	C5H6N2	7	C1	1375.716072
dsgdb9nsd_001082	C7H12	7	C1	1890.759887
dsgdb9nsd_001084	C7H12	7	C1	1887.834043
dsgdb9nsd_001085	C6H11N	7	C1	1799.149499
dsgdb9nsd_001086	C6H10O	7	C1	1693.004002
dsgdb9nsd_001087	C5H9NO	7	C1	1603.808572
dsgdb9nsd_001108	C4H8N2O	7	C1	1491.407376
dsgdb9nsd_001109	C3H7N3O	7	C1	1375.139542
dsgdb9nsd_001110	C4H7NO2	7	C1	1417.844456
dsgdb9nsd_001111	C3H6N2O2	7	C1	1304.935655
dsgdb9nsd_001112	C5H8O2	7	C1	1539.059242
dsgdb9nsd_001113	C4H7NO2	7	C1	1429.772088
dsgdb9nsd_001114	C4H7NO2	7	C1	1429.186194
dsgdb9nsd_001115	C3H7N3O	7	C1	1375.391029
dsgdb9nsd_001116	C3H6N2O2	7	C1	1313.345456
dsgdb9nsd_001117	C3H6N2O2	7	C1	1306.45847
dsgdb9nsd_001118	C3H6N2O2	7	C1	1320.067338
dsgdb9nsd_001119	C2H5N3O2	7	C2	1197.694896
dsgdb9nsd_001134	C5H9NO	7	C1	1593.913738
dsgdb9nsd_001135	C6H10O	7	CS	1716.818527
dsgdb9nsd_001136	C5H9NO	7	C1	1605.506794
dsgdb9nsd_001137	C5H8O2	7	C1	1540.90306
dsgdb9nsd_001138	C5H8O2	7	C1	1522.259966
dsgdb9nsd_001149	C7H12	7	C1	1879.973865
dsgdb9nsd_001150	C6H10O	7	C2	1677.181921
dsgdb9nsd_001151	C6H10O	7	C1	1686.100337
dsgdb9nsd_001152	C5H8O2	7	C1	1489.794808
dsgdb9nsd_001153	C7H8	7	C2V	1579.608994
dsgdb9nsd_001154	C6H7N	7	C1	1489.244395
dsgdb9nsd_001155	C5H6N2	7	C2	1396.737164
dsgdb9nsd_001156	C5H6N2	7	C1	1359.12245
dsgdb9nsd_001157	C4H5N3	7	C1	1265.715765
dsgdb9nsd_001158	C6H6O	7	C1	1381.681686
dsgdb9nsd_001159	C5H5NO	7	C1	1289.877266
dsgdb9nsd_001160	C4H4N2O	7	C1	1195.604072
dsgdb9nsd_001161	C6H8O	7	C1	1554.655131
dsgdb9nsd_001162	C5H7NO	7	C1	1463.525805
dsgdb9nsd_001163	C5H6O2	7	C1	1356.406293
dsgdb9nsd_001164	C4H5NO2	7	C1	1263.245781
dsgdb9nsd_001165	C5H8O2	7	C1	1526.542543
dsgdb9nsd_001166	C4H6O3	7	C1	1333.952178
dsgdb9nsd_001167	C6H10O	7	C1	1689.312031
dsgdb9nsd_001168	C5H9NO	7	C1	1599.89381
dsgdb9nsd_001169	C4H9N3	7	C1	1539.673442
dsgdb9nsd_001170	C4H8N2O	7	C1	1473.738126
dsgdb9nsd_001171	C4H8N2O	7	C1	1472.896624
dsgdb9nsd_001172	C5H8O2	7	C1	1495.201041
dsgdb9nsd_001173	C4H7NO2	7	C1	1402.45877
dsgdb9nsd_001174	C7H12	7	C1	1885.319932
dsgdb9nsd_001175	C6H11N	7	C1	1796.472192
dsgdb9nsd_001176	C5H10N2	7	C1	1666.86414
dsgdb9nsd_001177	C6H10O	7	C1	1690.351331
dsgdb9nsd_001178	C5H9NO	7	C1	1599.929214
dsgdb9nsd_001179	C5H10N2	7	C1	1659.032037
dsgdb9nsd_001180	C6H10O	7	C1	1676.924096
dsgdb9nsd_001181	C5H9NO	7	C1	1586.778667
dsgdb9nsd_001196	C5H7NO	7	C1	1454.171113
dsgdb9nsd_001197	C7H12	7	C1	1889.723857
dsgdb9nsd_001198	C6H10O	7	C1	1694.912459
dsgdb9nsd_001199	C6H4O	7	C1	1257.852877
dsgdb9nsd_001200	C5H3NO	7	C1	1161.2067
dsgdb9nsd_001201	C5H3NO	7	CS	1145.930446
dsgdb9nsd_001202	C4H2N2O	7	C1	1049.445231
dsgdb9nsd_001203	C5H4O2	7	C1	1223.648915
dsgdb9nsd_001204	C4H3NO2	7	C1	1111.783236
dsgdb9nsd_001205	C5H7NO	7	C1	1426.294091
dsgdb9nsd_001206	C4H6N2O	7	C1	1330.636737
dsgdb9nsd_001207	C6H8O	7	C1	1560.602547
dsgdb9nsd_001208	C5H7NO	7	C1	1471.26648
dsgdb9nsd_001209	C5H7NO	7	C1	1442.70487
dsgdb9nsd_001210	C4H6N2O	7	C1	1351.739405
dsgdb9nsd_001211	C5H6O2	7	C1	1371.974861
dsgdb9nsd_001213	C5H7NO	7	C1	1449.430442
dsgdb9nsd_001215	C4H6N2O	7	C1	1325.999298
dsgdb9nsd_001217	C4H5NO2	7	C1	1256.634831
dsgdb9nsd_001218	C3H4N2O2	7	C1	1164.933385
dsgdb9nsd_001219	C4H7NO2	7	C1	1399.50898
dsgdb9nsd_001220	C5H8O2	7	C1	1532.08347
dsgdb9nsd_001221	C4H7NO2	7	C1	1420.482826
dsgdb9nsd_001222	C4H7NO2	7	C1	1395.51908
dsgdb9nsd_001223	C4H6O3	7	C1	1341.147201
dsgdb9nsd_001224	C4H7NO2	7	C1	1416.194796
dsgdb9nsd_001225	C4H6O3	7	C1	1345.686461
dsgdb9nsd_001226	C4H7NO2	7	C1	1421.119158
dsgdb9nsd_001227	C3H6N2O2	7	C1	1309.35902
dsgdb9nsd_001228	C3H6N2O2	7	C1	1284.059474
dsgdb9nsd_001229	C3H5NO3	7	C1	1229.73796
dsgdb9nsd_001230	C3H6N2O2	7	C1	1299.332974
dsgdb9nsd_001231	C3H5NO3	7	C1	1230.673941
dsgdb9nsd_001232	C3H6N2O2	7	C1	1297.646561
dsgdb9nsd_001233	C7H8	7	C1	1587.786033
dsgdb9nsd_001234	C6H7N	7	C1	1494.161986
dsgdb9nsd_001235	C6H6O	7	C1	1389.739008
dsgdb9nsd_001236	C5H5NO	7	C1	1295.063845
dsgdb9nsd_001237	C6H8O	7	C1	1554.735779
dsgdb9nsd_001238	C5H6O2	7	C1	1356.477039
dsgdb9nsd_001239	C7H12	7	C1	1884.624808
dsgdb9nsd_001240	C6H11N	7	C1	1795.747356
dsgdb9nsd_001241	C5H10N2	7	C1	1659.624456
dsgdb9nsd_001242	C6H10O	7	C1	1678.356186
dsgdb9nsd_001243	C5H9NO	7	C1	1587.684496
dsgdb9nsd_001244	C6H10O	7	C1	1690.346556
dsgdb9nsd_001245	C5H9NO	7	C1	1601.494511
dsgdb9nsd_001246	C5H10N2	7	C1	1653.980353
dsgdb9nsd_001255	C4H8N2O	7	C1	1483.508851
dsgdb9nsd_001256	C3H7N3O	7	C1	1367.461455
dsgdb9nsd_001257	C4H7NO2	7	C1	1409.159254
dsgdb9nsd_001258	C3H6N2O2	7	C1	1294.883141
dsgdb9nsd_001259	C3H6N2O2	7	C1	1297.581413
dsgdb9nsd_001261	C5H6O2	7	C1	1358.975117
dsgdb9nsd_001262	C6H8O	7	C1	1561.23839
dsgdb9nsd_001263	C5H7NO	7	C1	1449.341674
dsgdb9nsd_001265	C4H5NO2	7	C1	1247.453287
dsgdb9nsd_001266	C6H10O	7	C1	1687.555281
dsgdb9nsd_001267	C5H8O2	7	C1	1491.853353
dsgdb9nsd_001268	C7H12	7	C1	1888.516108
dsgdb9nsd_001269	C6H10O	7	C1	1691.496643
dsgdb9nsd_001301	C6H10O	7	C1	1717.101408
dsgdb9nsd_001302	C5H9NO	7	C1	1603.486321
dsgdb9nsd_001303	C5H9NO	7	C1	1588.926462
dsgdb9nsd_001304	C5H8O2	7	CS	1535.794775
dsgdb9nsd_001305	C5H9NO	7	C1	1584.207923
dsgdb9nsd_001306	C5H8O2	7	C1	1516.227692
dsgdb9nsd_001307	C4H7NO2	7	C1	1406.16956
dsgdb9nsd_001308	C5H8O2	7	C1	1521.498094
dsgdb9nsd_001309	C4H7NO2	7	C1	1407.163654
dsgdb9nsd_001310	C4H7NO2	7	C1	1392.518216
dsgdb9nsd_001311	C4H6O3	7	C1	1338.360538
dsgdb9nsd_001320	C7H10	7	C1	1736.615115
dsgdb9nsd_001321	C6H9N	7	C1	1647.582907
dsgdb9nsd_001322	C6H9N	7	C1	1604.725689
dsgdb9nsd_001323	C5H8N2	7	C1	1514.406252
dsgdb9nsd_001324	C6H8O	7	C1	1537.555974
dsgdb9nsd_001325	C5H7NO	7	C1	1445.930514
dsgdb9nsd_001326	C6H8O	7	C1	1540.038797
dsgdb9nsd_001327	C5H7NO	7	C1	1450.407982
dsgdb9nsd_001328	C6H10O	7	C1	1709.712785
dsgdb9nsd_001329	C5H9NO	7	C1	1583.7411
dsgdb9nsd_001330	C5H9NO	7	C1	1578.640157
dsgdb9nsd_001331	C5H8O2	7	C1	1508.924711
dsgdb9nsd_001332	C5H8O2	7	C1	1512.506674
dsgdb9nsd_001343	C7H12	7	CS	1915.165156
dsgdb9nsd_001344	C5H9NO	7	C1	1602.10905
dsgdb9nsd_001345	C6H10O	7	C1	1721.109556
dsgdb9nsd_001346	C7H12	7	C1	1915.047046
dsgdb9nsd_001347	C5H9NO	7	C1	1600.166212
dsgdb9nsd_001348	C6H10O	7	C1	1714.72626
dsgdb9nsd_001349	C6H10O	7	C1	1720.868059
dsgdb9nsd_001364	C6H4O	7	C1	1249.052075
dsgdb9nsd_001365	C5H3NO	7	C1	1153.612818
dsgdb9nsd_001366	C5H3NO	7	C1	1157.623796
dsgdb9nsd_001367	C4H2N2O	7	C1	1060.515597
dsgdb9nsd_001368	C5H4O2	7	C1	1220.943138
dsgdb9nsd_001369	C4H3NO2	7	C1	1123.225276
dsgdb9nsd_001370	C4H4N2O	7	C1	1172.276068
dsgdb9nsd_001371	C4H3NO2	7	C1	1102.272834
dsgdb9nsd_001372	C3H2N2O2	7	C1	1005.646568
dsgdb9nsd_001373	C3H4N4	7	C1	1142.156779
dsgdb9nsd_001374	C4H4N2O	7	C1	1171.286906
dsgdb9nsd_001375	C4H3NO2	7	C1	1102.016208
dsgdb9nsd_001376	C3H2N2O2	7	C1	1004.775152
dsgdb9nsd_001377	C4H3NO2	7	C1	1113.722052
dsgdb9nsd_001378	C3H4N2O2	7	C1	1143.192371
dsgdb9nsd_001379	C3H3NO3	7	C1	1075.209516
dsgdb9nsd_001380	C3H5N3O	7	C1	1208.563066
dsgdb9nsd_001381	C3H4N2O2	7	C1	1139.09922
dsgdb9nsd_001382	C3H3NO3	7	C1	1072.006407
dsgdb9nsd_001383	C3H3NO3	7	C1	1080.919872
dsgdb9nsd_001385	C5H3NO	7	C1	1156.453962
dsgdb9nsd_001386	C5H4O2	7	C1	1220.659253
dsgdb9nsd_001387	C7H8	7	C1	1582.631205
dsgdb9nsd_001388	C6H7N	7	C1	1492.700604
dsgdb9nsd_001389	C5H6N2	7	C1	1360.973828
dsgdb9nsd_001390	C6H6O	7	C1	1382.892032
dsgdb9nsd_001391	C5H5NO	7	C1	1291.35906
dsgdb9nsd_001392	C6H8O	7	C1	1557.194029
dsgdb9nsd_001393	C5H6O2	7	C1	1360.208305
dsgdb9nsd_001394	C7H8	7	C1	1581.718003
dsgdb9nsd_001395	C6H7N	7	C1	1491.879803
dsgdb9nsd_001396	C6H7N	7	C1	1492.052769
dsgdb9nsd_001397	C5H6N2	7	C1	1400.922596
dsgdb9nsd_001398	C5H6N2	7	C1	1360.804671
dsgdb9nsd_001399	C5H6N2	7	C1	1361.950277
dsgdb9nsd_001400	C4H5N3	7	C1	1269.913766
dsgdb9nsd_001401	C6H6O	7	C1	1382.455895
dsgdb9nsd_001402	C5H5NO	7	C1	1290.761847
dsgdb9nsd_001403	C5H5NO	7	C1	1292.251981
dsgdb9nsd_001404	C4H4N2O	7	C1	1199.064034
dsgdb9nsd_001405	C6H8O	7	C1	1553.250891
dsgdb9nsd_001406	C5H7NO	7	C1	1465.213171
dsgdb9nsd_001407	C5H7NO	7	C1	1432.318979
dsgdb9nsd_001408	C4H6N2O	7	C1	1340.534476
dsgdb9nsd_001409	C5H6O2	7	C1	1359.965741
dsgdb9nsd_001410	C4H5NO2	7	C1	1267.380077
dsgdb9nsd_001411	C6H8O	7	C1	1552.84466
dsgdb9nsd_001412	C5H7NO	7	C1	1462.533838
dsgdb9nsd_001413	C5H7NO	7	C1	1439.63771
dsgdb9nsd_001414	C4H6N2O	7	C1	1348.159313
dsgdb9nsd_001415	C5H7NO	7	C1	1418.975661
dsgdb9nsd_001416	C4H6N2O	7	C1	1326.823331
dsgdb9nsd_001417	C5H6O2	7	C1	1364.047477
dsgdb9nsd_001418	C4H5NO2	7	C1	1271.02501
dsgdb9nsd_001419	C5H6O2	7	C1	1354.355417
dsgdb9nsd_001420	C4H5NO2	7	C1	1262.705188
dsgdb9nsd_001421	C5H8O2	7	C1	1524.871786
dsgdb9nsd_001422	C4H7NO2	7	C1	1412.8717
dsgdb9nsd_001423	C4H7NO2	7	C1	1391.829117
dsgdb9nsd_001424	C4H6O3	7	C1	1336.984586
dsgdb9nsd_001425	C4H7NO2	7	C1	1404.862357
dsgdb9nsd_001426	C4H6O3	7	C1	1330.976107
dsgdb9nsd_001427	C4H8N2O	7	C1	1478.26611
dsgdb9nsd_001428	C4H7NO2	7	C1	1404.916499
dsgdb9nsd_001429	C3H7N3O	7	C1	1363.152554
dsgdb9nsd_001430	C4H8N2O	7	C1	1474.166207
dsgdb9nsd_001434	C5H6O2	7	C1	1372.433852
dsgdb9nsd_001435	C6H8O	7	C1	1557.70858
dsgdb9nsd_001436	C5H7NO	7	C1	1467.184612
dsgdb9nsd_001437	C5H7NO	7	C1	1444.324704
dsgdb9nsd_001438	C4H6N2O	7	C1	1353.703026
dsgdb9nsd_001439	C5H6O2	7	C1	1370.594039
dsgdb9nsd_001440	C4H5NO2	7	C1	1279.666519
dsgdb9nsd_001441	C5H6O2	7	C1	1355.193977
dsgdb9nsd_001442	C4H5NO2	7	C1	1264.223673
dsgdb9nsd_001443	C4H8N2O	7	C1	1485.410631
dsgdb9nsd_001444	C5H8O2	7	C1	1531.27082
dsgdb9nsd_001445	C4H8N2O	7	C1	1489.178726
dsgdb9nsd_001446	C4H7NO2	7	C1	1423.502596
dsgdb9nsd_001448	C4H7NO2	7	C1	1415.368624
dsgdb9nsd_001449	C3H7N3O	7	C1	1370.606363
dsgdb9nsd_001450	C3H6N2O2	7	C1	1301.460062
dsgdb9nsd_001451	C3H6N2O2	7	C1	1295.044832
dsgdb9nsd_001452	C3H6N2O2	7	C1	1283.442193
dsgdb9nsd_001453	C4H6O3	7	C1	1344.059209
dsgdb9nsd_001454	C3H6N2O2	7	C1	1290.402039
dsgdb9nsd_001455	C3H5NO3	7	C1	1233.711965
dsgdb9nsd_001456	C3H6N2O2	7	CS	1294.256573
dsgdb9nsd_001457	C3H6N2O2	7	C1	1285.229573
dsgdb9nsd_001458	C3H6N2O2	7	C1	1289.601105
dsgdb9nsd_001459	C4H6O3	7	C1	1329.219476
dsgdb9nsd_001461	C3H5NO3	7	C1	1219.940447
dsgdb9nsd_001462	C3H5NO3	7	C1	1212.45611
dsgdb9nsd_001463	C6H10O	7	C1	1692.046303
dsgdb9nsd_001464	C5H8O2	7	C1	1496.651824
dsgdb9nsd_001465	C7H12	7	C1	1888.434381
dsgdb9nsd_001467	C6H10O	7	C1	1679.975079
dsgdb9nsd_001468	C6H10O	7	C1	1687.858769
dsgdb9nsd_001469	C5H9NO	7	C1	1598.744426
dsgdb9nsd_001470	C7H12	7	C1	1884.91714
dsgdb9nsd_001471	C6H11N	7	C1	1796.156279
dsgdb9nsd_001472	C6H10O	7	C1	1688.801044
dsgdb9nsd_001473	C5H9NO	7	C1	1599.384316
dsgdb9nsd_001474	C5H10N2	7	C1	1652.688117
dsgdb9nsd_001475	C6H10O	7	C1	1679.060289
dsgdb9nsd_001476	C5H9NO	7	C1	1590.163265
dsgdb9nsd_001477	C5H8O2	7	C1	1495.680201
dsgdb9nsd_001478	C4H7NO2	7	C1	1401.702502
dsgdb9nsd_001489	C4H7N3	7	C1	1400.34641
dsgdb9nsd_001490	C4H8N2O	7	C1	1471.482198
dsgdb9nsd_001491	C6H8O	7	C1	1555.542781
dsgdb9nsd_001492	C5H7NO	7	C1	1461.19066
dsgdb9nsd_001493	C4H7N3	7	C1	1403.430368
dsgdb9nsd_001494	C5H7NO	7	C1	1440.61372
dsgdb9nsd_001495	C5H7NO	7	C1	1425.246753
dsgdb9nsd_001496	C4H6N2O	7	C1	1331.179194
dsgdb9nsd_001497	C5H6O2	7	C1	1368.796582
dsgdb9nsd_001498	C4H5NO2	7	C1	1273.578102
dsgdb9nsd_001499	C4H6N2O	7	C1	1324.408499
dsgdb9nsd_001500	C5H6O2	7	C1	1344.032089
dsgdb9nsd_001501	C4H5NO2	7	C1	1249.04147
dsgdb9nsd_001502	C5H6O2	7	C1	1357.966075
dsgdb9nsd_001504	C5H8O2	7	C1	1527.265484
dsgdb9nsd_001505	C4H8N2O	7	C1	1468.347563
dsgdb9nsd_001506	C4H7NO2	7	C1	1415.578231
dsgdb9nsd_001507	C4H7NO2	7	C1	1398.79232
dsgdb9nsd_001508	C4H6O3	7	C1	1340.029444
dsgdb9nsd_001509	C4H6O3	7	C1	1315.639882
dsgdb9nsd_001510	C4H6O3	7	C1	1324.863091
dsgdb9nsd_001537	C6H10O	7	C1	1686.315077
dsgdb9nsd_001538	C5H9NO	7	C1	1597.013635
dsgdb9nsd_001539	C7H12	7	C1	1884.112453
dsgdb9nsd_001540	C6H11N	7	C1	1795.220675
dsgdb9nsd_001541	C5H10N2	7	C1	1666.109547
dsgdb9nsd_001542	C6H10O	7	C1	1686.976146
dsgdb9nsd_001543	C5H9NO	7	C1	1596.203521
dsgdb9nsd_001544	C5H10N2	7	C1	1658.882564
dsgdb9nsd_001545	C6H10O	7	C1	1678.194464
dsgdb9nsd_001546	C5H9NO	7	C1	1587.734571
dsgdb9nsd_001547	C4H8N2O	7	C1	1461.969631
dsgdb9nsd_001548	C6H10O	7	C1	1678.256518
dsgdb9nsd_001549	C5H9NO	7	C1	1588.7514
dsgdb9nsd_001550	C4H8N2O	7	C1	1458.127868
dsgdb9nsd_001551	C5H8O2	7	C1	1478.71685
dsgdb9nsd_001552	C4H7NO2	7	C1	1387.525192
dsgdb9nsd_001553	C4H8N2O	7	C1	1468.333111
dsgdb9nsd_001554	C5H8O2	7	C1	1489.424465
dsgdb9nsd_001555	C4H7NO2	7	C1	1398.199568
dsgdb9nsd_001582	C5H4O2	7	C1	1224.934287
dsgdb9nsd_001583	C4H3NO2	7	C1	1128.525892
dsgdb9nsd_001584	C4H4N2O	7	C1	1171.382846
dsgdb9nsd_001585	C3H3N3O	7	C1	1076.038136
dsgdb9nsd_001586	C4H3NO2	7	C1	1115.848701
dsgdb9nsd_001587	C4H4O3	7	C1	1193.169863
dsgdb9nsd_001588	C3H4N2O2	7	C1	1140.612158
dsgdb9nsd_001589	C3H3NO3	7	C1	1083.730392
dsgdb9nsd_001590	C5H6O2	7	C1	1363.00849
dsgdb9nsd_001591	C4H5NO2	7	C1	1270.967989
dsgdb9nsd_001592	C6H8O	7	C1	1559.854079
dsgdb9nsd_001593	C5H7NO	7	C1	1450.23858
dsgdb9nsd_001594	C5H7NO	7	C1	1469.429514
dsgdb9nsd_001595	C4H6N2O	7	C1	1359.740019
dsgdb9nsd_001596	C3H5N3O	7	C1	1210.197829
dsgdb9nsd_001597	C4H5NO2	7	C1	1252.356797
dsgdb9nsd_001598	C3H4N2O2	7	C1	1160.171491
dsgdb9nsd_001599	C4H6N2O	7	C1	1320.069703
dsgdb9nsd_001600	C4H5NO2	7	C1	1251.671557
dsgdb9nsd_001602	C6H8O	7	C1	1556.635181
dsgdb9nsd_001603	C5H7NO	7	C1	1462.539724
dsgdb9nsd_001604	C5H6O2	7	C1	1362.431332
dsgdb9nsd_001605	C4H5NO2	7	C1	1266.371569
dsgdb9nsd_001606	C4H7N3	7	C1	1396.220623
dsgdb9nsd_001607	C5H7NO	7	C1	1433.218357
dsgdb9nsd_001608	C4H6N2O	7	C1	1340.181289
dsgdb9nsd_001609	C5H8O2	7	C1	1528.107746
dsgdb9nsd_001610	C4H6O3	7	C1	1332.593105
dsgdb9nsd_001611	C4H8N2O	7	C1	1458.764219
dsgdb9nsd_001612	C4H7NO2	7	C1	1403.864592
dsgdb9nsd_001613	C5H10N2	7	C1	1652.422737
dsgdb9nsd_001614	C7H12	7	C1	1885.454941
dsgdb9nsd_001615	C6H11N	7	C1	1796.785244
dsgdb9nsd_001617	C6H10O	7	C1	1688.469938
dsgdb9nsd_001618	C5H9NO	7	C1	1597.945926
dsgdb9nsd_001619	C4H9N3	7	C1	1538.538228
dsgdb9nsd_001620	C6H10O	7	C1	1692.295726
dsgdb9nsd_001621	C5H9NO	7	C1	1602.764063
dsgdb9nsd_001622	C4H8N2O	7	C1	1470.702468
dsgdb9nsd_001623	C5H8O2	7	C1	1491.853228
dsgdb9nsd_001624	C4H7NO2	7	C1	1400.539652
dsgdb9nsd_001630	C4H6O3	7	C1	1334.250163
dsgdb9nsd_001631	C5H8O2	7	C1	1532.428996
dsgdb9nsd_001632	C4H7NO2	7	C1	1422.963547
dsgdb9nsd_001634	C3H7N3O	7	C1	1368.356446
dsgdb9nsd_001635	C4H8N2O	7	C1	1481.963923
dsgdb9nsd_001636	C4H7NO2	7	C1	1425.514498
dsgdb9nsd_001637	C3H7N3O	7	C1	1360.276634
dsgdb9nsd_001638	C3H6N2O2	7	C1	1310.362671
dsgdb9nsd_001639	C3H5NO3	7	C1	1230.242553
dsgdb9nsd_001640	C4H8N2O	7	C1	1477.944636
dsgdb9nsd_001641	C3H7N3O	7	C1	1369.634263
dsgdb9nsd_001642	C3H6N2O2	7	C1	1297.590098
dsgdb9nsd_001644	C5H8O2	7	C1	1535.596513
dsgdb9nsd_001645	C4H8N2O	7	C1	1482.493986
dsgdb9nsd_001646	C4H7NO2	7	C1	1427.303446
dsgdb9nsd_001647	C4H8N2O	7	C1	1476.471966
dsgdb9nsd_001648	C3H6N2O2	7	C1	1297.590525
dsgdb9nsd_001649	C4H7NO2	7	C1	1422.404185
dsgdb9nsd_001650	C3H6N2O2	7	C1	1315.067743
dsgdb9nsd_001651	C4H6O3	7	C1	1345.150198
dsgdb9nsd_001652	C3H6N2O2	7	C1	1290.497019
dsgdb9nsd_001653	C3H5NO3	7	C1	1236.172706
dsgdb9nsd_001654	C3H6N2O2	7	C1	1281.075309
dsgdb9nsd_001655	C3H5NO3	7	C1	1225.609299
dsgdb9nsd_001697	C7H10	7	C1	1736.324654
dsgdb9nsd_001698	C6H9N	7	CS	1647.209294
dsgdb9nsd_001699	C5H8N2	7	C1	1513.025304
dsgdb9nsd_001700	C6H8O	7	C1	1535.070554
dsgdb9nsd_001701	C5H7NO	7	C1	1444.34759
dsgdb9nsd_001702	C6H8O	7	C1	1532.899364
dsgdb9nsd_001703	C5H7NO	7	CS	1442.399744
dsgdb9nsd_001704	C5H8N2	7	CS	1518.58133
dsgdb9nsd_001705	C4H7N3	7	CS	1382.182966
dsgdb9nsd_001706	C4H6N2O	7	CS	1312.492106
dsgdb9nsd_001707	C6H8O	7	C1	1540.655815
dsgdb9nsd_001708	C5H7NO	7	C1	1449.778659
dsgdb9nsd_001709	C4H6N2O	7	C1	1312.537393
dsgdb9nsd_001710	C5H6O2	7	C1	1335.196052
dsgdb9nsd_001711	C4H5NO2	7	C1	1242.778429
dsgdb9nsd_001712	C6H10O	7	C1	1709.290628
dsgdb9nsd_001713	C5H8O2	7	C1	1509.193198
dsgdb9nsd_001714	C5H8O2	7	C1	1504.667988
dsgdb9nsd_001715	C5H8O2	7	C1	1517.543391
dsgdb9nsd_001716	C4H6O3	7	C1	1312.699385
dsgdb9nsd_001730	C6H9N	7	C1	1606.752438
dsgdb9nsd_001731	C6H8O	7	C1	1537.43772
dsgdb9nsd_001732	C6H8O	7	C1	1540.045932
dsgdb9nsd_001733	C7H10	7	C1	1734.259457
dsgdb9nsd_001734	C6H9N	7	C1	1602.93334
dsgdb9nsd_001735	C6H8O	7	C1	1535.13936
dsgdb9nsd_001736	C6H9N	7	C1	1645.310902
dsgdb9nsd_001737	C5H8N2	7	C1	1513.854075
dsgdb9nsd_001738	C5H7NO	7	C1	1445.315284
dsgdb9nsd_001739	C6H8O	7	C1	1538.624573
dsgdb9nsd_001740	C5H7NO	7	C1	1448.836824
dsgdb9nsd_001741	C5H9NO	7	C1	1593.207677
dsgdb9nsd_001742	C5H8O2	7	C1	1518.609731
dsgdb9nsd_001743	C6H10O	7	C1	1706.247101
dsgdb9nsd_001744	C5H9NO	7	C1	1575.431695
dsgdb9nsd_001745	C5H8O2	7	C1	1507.480574
dsgdb9nsd_001746	C5H8O2	7	C1	1508.696555
dsgdb9nsd_001758	C6H8O	7	C1	1537.25541
dsgdb9nsd_001759	C5H7NO	7	C1	1447.543753
dsgdb9nsd_001760	C7H10	7	C1	1734.782449
dsgdb9nsd_001761	C6H9N	7	C1	1645.66589
dsgdb9nsd_001762	C5H8N2	7	C1	1514.260563
dsgdb9nsd_001763	C6H8O	7	C1	1536.783993
dsgdb9nsd_001764	C5H7NO	7	C1	1446.091081
dsgdb9nsd_001765	C6H9N	7	C1	1604.908414
dsgdb9nsd_001766	C5H8N2	7	C1	1514.346506
dsgdb9nsd_001767	C6H8O	7	C1	1536.126683
dsgdb9nsd_001769	C6H9N	7	C1	1593.438632
dsgdb9nsd_001770	C5H8N2	7	C1	1503.356763
dsgdb9nsd_001771	C4H6N2O	7	C1	1320.438553
dsgdb9nsd_001772	C4H7N3	7	C1	1387.970034
dsgdb9nsd_001773	C4H6N2O	7	C1	1316.79384
dsgdb9nsd_001774	C5H6O2	7	C1	1338.811253
dsgdb9nsd_001775	C4H5NO2	7	C1	1247.041302
dsgdb9nsd_001776	C5H8O2	7	C1	1512.02388
dsgdb9nsd_001777	C6H10O	7	C1	1709.900172
dsgdb9nsd_001778	C5H8O2	7	C1	1512.92713
dsgdb9nsd_001779	C5H9NO	7	C1	1580.610374
dsgdb9nsd_001780	C5H8O2	7	C1	1511.49612
dsgdb9nsd_001781	C5H9NO	7	C1	1570.206888
dsgdb9nsd_001782	C4H6O3	7	C1	1315.524959
dsgdb9nsd_001798	C6H10O	7	C1	1715.419407
dsgdb9nsd_001799	C5H9NO	7	C1	1584.708231
dsgdb9nsd_001800	C5H8O2	7	C1	1514.361855
dsgdb9nsd_001801	C5H8O2	7	C1	1518.43635
dsgdb9nsd_001802	C5H9NO	7	C1	1604.604674
dsgdb9nsd_001803	C4H8N2O	7	C1	1474.457924
dsgdb9nsd_001804	C4H7NO2	7	C1	1405.424581
dsgdb9nsd_001805	C4H7NO2	7	C1	1409.227734
dsgdb9nsd_001806	C4H7NO2	7	C1	1410.994807
dsgdb9nsd_001819	C4H4N2O	7	C1	1219.433062
dsgdb9nsd_001821	C5H4O2	7	C1	1267.482562
dsgdb9nsd_001822	C4H3NO2	7	C2V	1161.663439
dsgdb9nsd_001824	C4H6N2O	7	C1	1364.448913
dsgdb9nsd_001825	C4H5NO2	7	C1	1291.721347
dsgdb9nsd_001826	C3H5N3O	7	C1	1242.520329
dsgdb9nsd_001827	C3H4N2O2	7	C1	1170.563168
dsgdb9nsd_001829	C3H4N2O2	7	C1	1170.49593
dsgdb9nsd_001830	C3H3NO3	7	CS	1097.082878
dsgdb9nsd_001832	C3H5N3O	7	C1	1238.429268
dsgdb9nsd_001833	C5H6O2	7	C1	1406.993693
dsgdb9nsd_001834	C4H5NO2	7	C2	1310.020898
dsgdb9nsd_001836	C3H4N2O2	7	C1	1188.048205
dsgdb9nsd_001837	C5H7NO	7	C1	1464.489528
dsgdb9nsd_001838	C6H8O	7	C1	1597.964745
dsgdb9nsd_001839	C5H7NO	7	C1	1480.365769
dsgdb9nsd_001840	C5H6O2	7	C1	1409.861506
dsgdb9nsd_001841	C4H6N2O	7	C1	1340.612952
dsgdb9nsd_001842	C5H7NO	7	C1	1477.775811
dsgdb9nsd_001843	C4H6N2O	7	C1	1356.947213
dsgdb9nsd_001844	C4H5NO2	7	C1	1287.209221
dsgdb9nsd_001845	C6H8O	7	C1	1592.688564
dsgdb9nsd_001846	C5H7NO	7	C1	1480.357605
dsgdb9nsd_001847	C5H7NO	7	C1	1478.124782
dsgdb9nsd_001848	C4H7N3	7	C1	1414.505057
dsgdb9nsd_001849	C4H6N2O	7	C1	1361.035977
dsgdb9nsd_001850	C4H5NO2	7	C1	1290.429487
dsgdb9nsd_001851	C3H5N3O	7	C1	1239.440399
dsgdb9nsd_001852	C6H8O	7	C1	1593.996827
dsgdb9nsd_001853	C5H7NO	7	C1	1478.724097
dsgdb9nsd_001854	C5H7NO	7	C1	1464.058786
dsgdb9nsd_001855	C5H6O2	7	C1	1409.036036
dsgdb9nsd_001856	C5H6O2	7	C1	1396.336047
dsgdb9nsd_001857	C7H12	7	CS	1914.442918
dsgdb9nsd_001858	C6H10O	7	C1	1719.170552
dsgdb9nsd_001859	C6H10O	7	C1	1714.988546
dsgdb9nsd_001860	C5H8O2	7	CS	1523.504863
dsgdb9nsd_001861	C6H10O	7	C1	1721.264175
dsgdb9nsd_001862	C7H12	7	C1	1916.604142
dsgdb9nsd_001863	C5H9NO	7	C1	1604.911551
dsgdb9nsd_001864	C5H8O2	7	C1	1530.507261
dsgdb9nsd_001865	C5H9NO	7	C1	1606.086544
dsgdb9nsd_001866	C6H10O	7	C1	1734.973356
dsgdb9nsd_001867	C5H9NO	7	C1	1622.220579
dsgdb9nsd_001868	C5H8O2	7	C1	1551.388436
dsgdb9nsd_001869	C5H9NO	7	C1	1620.570593
dsgdb9nsd_001870	C4H8N2O	7	C1	1500.148891
dsgdb9nsd_001871	C4H7NO2	7	C1	1430.51066
dsgdb9nsd_001872	C5H9NO	7	C1	1603.901073
dsgdb9nsd_001873	C4H7NO2	7	C1	1408.772018
dsgdb9nsd_001874	C5H8O2	7	C1	1549.128599
dsgdb9nsd_001876	C4H6O3	7	C1	1358.300688
dsgdb9nsd_001877	C4H7NO2	7	C1	1404.486724
dsgdb9nsd_001878	C4H6O3	7	C1	1350.261965
dsgdb9nsd_001879	C5H9NO	7	C1	1591.659109
dsgdb9nsd_001880	C5H8O2	7	C1	1538.666534
dsgdb9nsd_001882	C4H7NO2	7	C1	1406.845262
dsgdb9nsd_001883	C4H6O3	7	C1	1352.141287
dsgdb9nsd_001884	C6H10O	7	C1	1721.948047
dsgdb9nsd_001885	C7H12	7	C1	1916.749938
dsgdb9nsd_001886	C5H9NO	7	C1	1603.737268
dsgdb9nsd_001887	C6H10O	7	C1	1714.67616
dsgdb9nsd_001895	C6H10O	7	C1	1682.773639
dsgdb9nsd_001896	C5H8O2	7	C1	1480.292244
dsgdb9nsd_001897	C7H12	7	C1	1876.21989
dsgdb9nsd_001898	C6H10O	7	C1	1671.184116
dsgdb9nsd_001899	C6H10O	7	C1	1682.795345
dsgdb9nsd_001900	C6H11N	7	C1	1733.978735
dsgdb9nsd_001901	C5H9NO	7	C1	1542.087039
dsgdb9nsd_001902	C5H8O2	7	C1	1489.71807
dsgdb9nsd_001903	C5H7NO	7	C1	1432.83798
dsgdb9nsd_001904	C5H6O2	7	C1	1361.202085
dsgdb9nsd_001905	C5H7NO	7	C1	1430.919445
dsgdb9nsd_001906	C6H8O	7	C1	1565.383379
dsgdb9nsd_001907	C5H7NO	7	C1	1444.531745
dsgdb9nsd_001908	C5H6O2	7	C1	1377.231589
dsgdb9nsd_001909	C5H7NO	7	C1	1437.226279
dsgdb9nsd_001910	C5H6O2	7	C1	1365.653311
dsgdb9nsd_001911	C5H9NO	7	C1	1563.047996
dsgdb9nsd_001912	C5H8O2	7	C1	1495.813151
dsgdb9nsd_001913	C6H10O	7	C1	1692.873091
dsgdb9nsd_001914	C7H12	7	C1	1887.335919
dsgdb9nsd_001915	C6H10O	7	C1	1689.736598
dsgdb9nsd_001916	C6H10O	7	C1	1690.21257
dsgdb9nsd_001917	C6H10O	7	C1	1686.678116
dsgdb9nsd_001918	C5H9NO	7	C1	1548.309053
dsgdb9nsd_001919	C5H8O2	7	C1	1495.315712
dsgdb9nsd_001920	C7H10	7	C1	1746.845785
dsgdb9nsd_001921	C6H8O	7	C1	1544.611396
dsgdb9nsd_001922	C6H8O	7	C1	1551.839371
dsgdb9nsd_001923	C7H12	7	C1	1905.217493
dsgdb9nsd_001924	C6H10O	7	C1	1702.354948
dsgdb9nsd_001925	C6H10O	7	CS	1700.090304
dsgdb9nsd_001926	C6H10O	7	C1	1705.70561
dsgdb9nsd_001927	C6H10O	7	C1	1710.593187
dsgdb9nsd_001928	C5H8O2	7	C1	1503.864293
dsgdb9nsd_001931	C6H10O	7	C1	1692.434286
dsgdb9nsd_001932	C5H8O2	7	C1	1487.240863
dsgdb9nsd_001933	C6H11N	7	C1	1758.652841
dsgdb9nsd_001934	C6H10O	7	C1	1693.749552
dsgdb9nsd_001935	C5H8O2	7	C1	1493.389082
dsgdb9nsd_001936	C5H5NO	7	C1	1280.673496
dsgdb9nsd_001937	C4H4N2O	7	C1	1187.558403
dsgdb9nsd_001938	C6H6O	7	CS	1410.517109
dsgdb9nsd_001939	C5H5NO	7	CS	1319.890782
dsgdb9nsd_001940	C5H5NO	7	C1	1295.584734
dsgdb9nsd_001941	C5H4O2	7	C1	1227.448121
dsgdb9nsd_001942	C4H3NO2	7	C1	1133.687158
dsgdb9nsd_001943	C4H5NO2	7	C1	1251.58016
dsgdb9nsd_001944	C5H6O2	7	C1	1382.786071
dsgdb9nsd_001945	C4H5NO2	7	C1	1268.477127
dsgdb9nsd_001947	C4H5NO2	7	C1	1260.162212
dsgdb9nsd_001948	C7H10	7	CS	1735.692074
dsgdb9nsd_001949	C6H9N	7	CS	1646.561779
dsgdb9nsd_001950	C5H8N2	7	C1	1512.663269
dsgdb9nsd_001951	C6H8O	7	C1	1535.099344
dsgdb9nsd_001952	C5H7NO	7	C1	1444.144653
dsgdb9nsd_001953	C5H8N2	7	CS	1507.484351
dsgdb9nsd_001954	C6H8O	7	C1	1540.569495
dsgdb9nsd_001955	C5H7NO	7	C1	1451.270444
dsgdb9nsd_001956	C6H10O	7	C1	1707.852853
dsgdb9nsd_001957	C5H8O2	7	C1	1508.511089
dsgdb9nsd_001958	C5H9NO	7	C1	1589.160141
dsgdb9nsd_001959	C5H8O2	7	C1	1512.545046
dsgdb9nsd_001960	C4H7NO2	7	C1	1392.1891
dsgdb9nsd_001961	C5H9NO	7	C1	1582.540173
dsgdb9nsd_001962	C5H9NO	7	C1	1589.218568
dsgdb9nsd_001963	C6H10O	7	C1	1714.581136
dsgdb9nsd_001964	C5H9NO	7	C1	1602.366906
dsgdb9nsd_001965	C5H8O2	7	C1	1536.384602
dsgdb9nsd_001966	C5H9NO	7	C1	1574.913755
dsgdb9nsd_001967	C5H8O2	7	C1	1508.711377
dsgdb9nsd_001968	C4H7NO2	7	C1	1391.964822
dsgdb9nsd_001969	C5H8O2	7	C1	1517.376838
dsgdb9nsd_001970	C4H7NO2	7	C1	1404.84057
dsgdb9nsd_001971	C4H6O3	7	C1	1338.930995
dsgdb9nsd_001981	C5H9NO	7	C1	1577.972682
dsgdb9nsd_001982	C6H10O	7	C1	1710.496206
dsgdb9nsd_001983	C5H9NO	7	C1	1577.68436
dsgdb9nsd_001984	C5H8O2	7	C1	1510.034161
dsgdb9nsd_001985	C5H9NO	7	C1	1571.688613
dsgdb9nsd_001986	C5H9NO	7	C1	1595.28693
dsgdb9nsd_001987	C5H8O2	7	C1	1524.756312
dsgdb9nsd_001988	C5H9NO	7	C1	1600.658129
dsgdb9nsd_001989	C4H8N2O	7	C1	1468.794105
dsgdb9nsd_001990	C4H7NO2	7	C1	1401.551937
dsgdb9nsd_001991	C4H8N2O	7	C1	1463.505216
dsgdb9nsd_001992	C4H8N2O	7	C1	1478.130404
dsgdb9nsd_001993	C4H7NO2	7	C1	1409.530363
dsgdb9nsd_002002	C7H8	7	C1	1572.599675
dsgdb9nsd_002003	C6H6O	7	CS	1362.715123
dsgdb9nsd_002004	C6H7N	7	C1	1428.386954
dsgdb9nsd_002005	C6H7N	7	C1	1482.39868
dsgdb9nsd_002006	C5H6N2	7	C1	1342.982146
dsgdb9nsd_002007	C5H5NO	7	C1	1269.884185
dsgdb9nsd_002008	C5H6N2	7	C1	1337.118151
dsgdb9nsd_002009	C6H8O	7	C1	1543.315081
dsgdb9nsd_002010	C5H6O2	7	C1	1334.376054
dsgdb9nsd_002011	C5H7NO	7	C1	1397.98068
dsgdb9nsd_002012	C7H12	7	C1	1876.017148
dsgdb9nsd_002013	C6H10O	7	C1	1670.621717
dsgdb9nsd_002014	C6H11N	7	C1	1732.282087
dsgdb9nsd_002015	C6H10O	7	C1	1672.680419
dsgdb9nsd_002016	C5H9NO	7	C1	1530.387846
dsgdb9nsd_002017	C6H10O	7	C1	1677.765128
dsgdb9nsd_002018	C5H8O2	7	C1	1473.150219
dsgdb9nsd_002019	C5H9NO	7	C1	1533.830833
dsgdb9nsd_002020	C5H7NO	7	CS	1432.331511
dsgdb9nsd_002021	C6H8O	7	CS	1560.439639
dsgdb9nsd_002022	C5H7NO	7	C1	1445.443372
dsgdb9nsd_002023	C5H6O2	7	CS	1379.138277
dsgdb9nsd_002024	C5H7NO	7	C1	1428.566817
dsgdb9nsd_002025	C5H6O2	7	CS	1360.815539
dsgdb9nsd_002026	C7H12	7	CS	1885.538839
dsgdb9nsd_002027	C6H10O	7	C1	1687.228662
dsgdb9nsd_002028	C6H10O	7	CS	1688.300536
dsgdb9nsd_002029	C5H10N2	7	C1	1614.0349
dsgdb9nsd_002031	C6H10O	7	CS	1690.601412
dsgdb9nsd_002032	C5H9NO	7	C1	1559.613172
dsgdb9nsd_002033	C5H8O2	7	C1	1492.392566
dsgdb9nsd_002034	C7H12	7	C1	1887.157198
dsgdb9nsd_002035	C6H11N	7	C1	1754.477154
dsgdb9nsd_002036	C6H10O	7	C1	1686.935339
dsgdb9nsd_002037	C6H11N	7	C1	1751.687862
dsgdb9nsd_002038	C6H10O	7	C1	1686.108457
dsgdb9nsd_002039	C6H10O	7	C1	1692.572972
dsgdb9nsd_002040	C5H9NO	7	C1	1559.780598
dsgdb9nsd_002041	C5H8O2	7	C1	1491.729238
dsgdb9nsd_002042	C5H9NO	7	C1	1556.145366
dsgdb9nsd_002043	C7H12	7	C1	1870.33739
dsgdb9nsd_002044	C6H10O	7	C1	1665.359793
dsgdb9nsd_002045	C6H10O	7	C1	1679.842637
dsgdb9nsd_002046	C5H8O2	7	CS	1476.062986
dsgdb9nsd_002047	C7H12	7	C1	1885.88348
dsgdb9nsd_002048	C6H10O	7	C1	1680.841017
dsgdb9nsd_002050	C5H8O2	7	C1	1483.543847
dsgdb9nsd_002051	C5H7NO	7	C1	1455.213092
dsgdb9nsd_002052	C5H7NO	7	C1	1476.124438
dsgdb9nsd_002053	C5H6O2	7	C1	1400.192363
dsgdb9nsd_002054	C6H8O	7	C1	1591.869381
dsgdb9nsd_002055	C5H7NO	7	C1	1479.738893
dsgdb9nsd_002056	C4H5NO2	7	C1	1281.926965
dsgdb9nsd_002057	C4H5NO2	7	C1	1264.332195
dsgdb9nsd_002058	C4H5NO2	7	C1	1283.480503
dsgdb9nsd_002059	C4H6N2O	7	C1	1358.146923
dsgdb9nsd_002060	C6H8O	7	C1	1595.00531
dsgdb9nsd_002061	C5H7NO	7	C1	1469.128925
dsgdb9nsd_002062	C5H7NO	7	C1	1458.590217
dsgdb9nsd_002063	C5H6O2	7	C1	1386.407021
dsgdb9nsd_002064	C5H7NO	7	C1	1477.18951
dsgdb9nsd_002065	C5H6O2	7	C1	1403.633775
dsgdb9nsd_002066	C5H9NO	7	C1	1601.369781
dsgdb9nsd_002067	C4H7NO2	7	C1	1400.69609
dsgdb9nsd_002068	C4H8N2O	7	C1	1465.302152
dsgdb9nsd_002069	C4H7NO2	7	C1	1394.179874
dsgdb9nsd_002070	C4H7NO2	7	C1	1400.643806
dsgdb9nsd_002071	C6H10O	7	CS	1736.768592
dsgdb9nsd_002072	C5H9NO	7	C1	1620.594325
dsgdb9nsd_002073	C5H8O2	7	C1	1545.559475
dsgdb9nsd_002074	C5H9NO	7	C1	1600.442717
dsgdb9nsd_002075	C5H8O2	7	C1	1528.948841
dsgdb9nsd_002076	C5H8O2	7	CS	1531.659638
dsgdb9nsd_002077	C4H6O3	7	C1	1344.517028
dsgdb9nsd_002078	C4H8N2O	7	C1	1485.039328
dsgdb9nsd_002079	C4H7NO2	7	C1	1409.559316
dsgdb9nsd_002080	C4H7NO2	7	C1	1413.781037
dsgdb9nsd_002081	C4H6O3	7	C1	1338.564015
dsgdb9nsd_002082	C4H6O3	7	C1	1325.831608
dsgdb9nsd_002083	C4H8N2O	7	CS	1499.437973
dsgdb9nsd_002084	C4H7NO2	7	C1	1425.870629
dsgdb9nsd_002086	C7H12	7	C1	1919.560477
dsgdb9nsd_002087	C6H10O	7	C1	1714.270537
dsgdb9nsd_002088	C6H10O	7	C1	1714.327572
dsgdb9nsd_002089	C5H9NO	7	C1	1600.424859
dsgdb9nsd_002090	C6H10O	7	C1	1715.028588
dsgdb9nsd_002092	C5H9NO	7	C1	1598.78303
dsgdb9nsd_002093	C5H9NO	7	C1	1596.311346
dsgdb9nsd_002094	C6H10O	7	C1	1723.00547
dsgdb9nsd_002095	C4H7NO2	7	C1	1399.156388
dsgdb9nsd_002096	C7H12	7	C1	1917.693593
dsgdb9nsd_002097	C5H9NO	7	C1	1597.463647
dsgdb9nsd_002098	C6H10O	7	C1	1712.245614
dsgdb9nsd_002099	C6H10O	7	C1	1714.696591
dsgdb9nsd_002100	C6H10O	7	C1	1722.174923
dsgdb9nsd_002101	C5H8O2	7	C1	1515.002379
dsgdb9nsd_002114	C4H4N2O	7	C1	1200.306905
dsgdb9nsd_002115	C5H4O2	7	C1	1258.77022
dsgdb9nsd_002116	C4H3NO2	7	C1	1143.129733
dsgdb9nsd_002117	C4H6N2O	7	C1	1340.261811
dsgdb9nsd_002118	C4H5NO2	7	C1	1269.031908
dsgdb9nsd_002119	C3H4N2O2	7	CS	1139.81588
dsgdb9nsd_002120	C3H3NO3	7	C1	1083.554778
dsgdb9nsd_002121	C5H6O2	7	CS	1399.591409
dsgdb9nsd_002122	C4H5NO2	7	C1	1286.164919
dsgdb9nsd_002123	C4H4O3	7	C1	1211.825488
dsgdb9nsd_002124	C4H5NO2	7	CS	1261.945826
dsgdb9nsd_002125	C4H4O3	7	CS	1189.307667
dsgdb9nsd_002126	C3H2O4	7	CS	1025.991204
dsgdb9nsd_002127	C7H12	7	CS	1918.435635
dsgdb9nsd_002128	C6H10O	7	C1	1714.122131
dsgdb9nsd_002129	C6H8O	7	C1	1597.478369
dsgdb9nsd_002130	C5H7NO	7	C1	1480.887512
dsgdb9nsd_002131	C5H7NO	7	C1	1464.904173
dsgdb9nsd_002132	C5H6O2	7	C1	1409.856141
dsgdb9nsd_002133	C4H6N2O	7	C1	1350.611645
dsgdb9nsd_002134	C6H8O	7	C1	1590.065003
dsgdb9nsd_002135	C5H7NO	7	C1	1476.632539
dsgdb9nsd_002136	C4H7N3	7	C1	1410.868232
dsgdb9nsd_002137	C4H6N2O	7	C1	1356.867808
dsgdb9nsd_002138	C4H5NO2	7	C1	1285.302314
dsgdb9nsd_002139	C5H7NO	7	C1	1472.427353
dsgdb9nsd_002140	C4H7N3	7	C1	1406.713529
dsgdb9nsd_002141	C4H6N2O	7	C1	1351.299113
dsgdb9nsd_002142	C5H6O2	7	C1	1392.374147
dsgdb9nsd_002143	C4H5NO2	7	C1	1275.387808
dsgdb9nsd_002144	C6H8O	7	C1	1594.284069
dsgdb9nsd_002145	C5H7NO	7	C1	1473.281268
dsgdb9nsd_002147	C6H10O	7	C1	1718.873225
dsgdb9nsd_002148	C7H12	7	C1	1913.519989
dsgdb9nsd_002149	C6H10O	7	C1	1718.974531
dsgdb9nsd_002150	C5H9NO	7	C1	1599.602884
dsgdb9nsd_002151	C5H8O2	7	C1	1524.724836
dsgdb9nsd_002152	C6H10O	7	C1	1721.667525
dsgdb9nsd_002153	C7H12	7	C1	1916.736591
dsgdb9nsd_002154	C6H10O	7	C1	1714.762775
dsgdb9nsd_002155	C6H10O	7	C1	1735.053646
dsgdb9nsd_002156	C5H9NO	7	C1	1620.961952
dsgdb9nsd_002157	C5H9NO	7	C1	1603.487419
dsgdb9nsd_002158	C5H8O2	7	C1	1549.420177
dsgdb9nsd_002159	C5H8O2	7	C1	1528.920013
dsgdb9nsd_002160	C5H8O2	7	C1	1530.624737
dsgdb9nsd_002161	C4H7NO2	7	C1	1402.763928
dsgdb9nsd_002162	C4H6O3	7	C1	1347.055536
dsgdb9nsd_002163	C5H9NO	7	C1	1616.563342
dsgdb9nsd_002164	C4H8N2O	7	C1	1494.040895
dsgdb9nsd_002165	C4H7NO2	7	C1	1422.837524
dsgdb9nsd_002166	C4H7NO2	7	C1	1420.46481
dsgdb9nsd_002167	C5H8O2	7	C1	1539.083013
dsgdb9nsd_002168	C4H7NO2	7	C1	1425.014561
dsgdb9nsd_002169	C4H7NO2	7	C1	1408.438879
dsgdb9nsd_002171	C4H7NO2	7	C1	1402.750054
dsgdb9nsd_002172	C4H6O3	7	C1	1331.131202
dsgdb9nsd_002182	C5H8O2	7	C1	1519.450079
dsgdb9nsd_002183	C6H10O	7	C1	1715.956906
dsgdb9nsd_002184	C5H8O2	7	C1	1519.39669
dsgdb9nsd_002185	C5H9NO	7	C1	1600.213156
dsgdb9nsd_002186	C5H9NO	7	C1	1576.952508
dsgdb9nsd_002188	C4H7NO2	7	C1	1405.471556
dsgdb9nsd_002189	C5H9NO	7	C1	1590.307554
dsgdb9nsd_002190	C4H8N2O	7	C1	1461.916996
dsgdb9nsd_002191	C4H7NO2	7	C1	1392.419867
dsgdb9nsd_002192	C5H8O2	7	C1	1537.244805
dsgdb9nsd_002193	C4H7NO2	7	C1	1408.370895
dsgdb9nsd_002194	C4H6O3	7	C1	1338.089699
dsgdb9nsd_002195	C4H6O3	7	C1	1322.526867
dsgdb9nsd_002196	C6H10O	7	CS	1716.735803
dsgdb9nsd_002197	C5H8O2	7	C1	1519.466576
dsgdb9nsd_002198	C5H9NO	7	C1	1598.514851
dsgdb9nsd_002199	C5H9NO	7	CS	1584.378863
dsgdb9nsd_002200	C5H8O2	7	CS	1515.999316
dsgdb9nsd_002201	C4H7NO2	7	C1	1400.191553
dsgdb9nsd_002202	C4H6O3	7	CS	1321.558212
dsgdb9nsd_002211	C7H12	7	C1	1888.127811
dsgdb9nsd_002212	C6H10O	7	C1	1690.606991
dsgdb9nsd_002213	C6H10O	7	C1	1688.061273
dsgdb9nsd_002214	C5H8O2	7	C1	1488.452578
dsgdb9nsd_002215	C6H10O	7	C1	1693.599427
dsgdb9nsd_002216	C5H8O2	7	C1	1491.888669
dsgdb9nsd_002217	C6H10O	7	C1	1690.95268
dsgdb9nsd_002218	C5H8O2	7	C1	1484.99544
dsgdb9nsd_002219	C5H8O2	7	C1	1487.8735
dsgdb9nsd_002220	C7H12	7	C1	1886.546425
dsgdb9nsd_002221	C6H10O	7	C1	1689.781672
dsgdb9nsd_002222	C6H10O	7	C1	1683.829424
dsgdb9nsd_002223	C6H10O	7	C1	1681.087477
dsgdb9nsd_002224	C5H8O2	7	C1	1483.297267
dsgdb9nsd_002225	C5H8O2	7	C1	1494.038021
dsgdb9nsd_002226	C4H6O3	7	C1	1286.568339
dsgdb9nsd_002227	C7H10	7	C1	1764.340713
dsgdb9nsd_002228	C5H7NO	7	C1	1446.181467
dsgdb9nsd_002229	C6H9N	7	C1	1634.232152
dsgdb9nsd_002230	C6H8O	7	C1	1566.139032
dsgdb9nsd_002231	C6H8O	7	C1	1566.895024
dsgdb9nsd_002232	C7H10	7	C1	1764.249692
dsgdb9nsd_002233	C5H7NO	7	C1	1445.431116
dsgdb9nsd_002234	C6H9N	7	C1	1632.383679
dsgdb9nsd_002235	C6H8O	7	C1	1566.138129
dsgdb9nsd_002236	C6H8O	7	C1	1566.559031
dsgdb9nsd_002237	C7H12	7	C1	1909.4999
dsgdb9nsd_002238	C6H10O	7	C1	1705.342018
dsgdb9nsd_002239	C6H10O	7	C1	1706.334569
dsgdb9nsd_002240	C6H10O	7	C1	1703.106346
dsgdb9nsd_002241	C5H8O2	7	C1	1500.745194
dsgdb9nsd_002242	C6H10O	7	C1	1714.399585
dsgdb9nsd_002243	C5H9NO	7	C1	1576.764707
dsgdb9nsd_002244	C5H8O2	7	C1	1507.470753
dsgdb9nsd_002245	C6H10O	7	C1	1712.573639
dsgdb9nsd_002246	C5H8O2	7	C1	1508.191862
dsgdb9nsd_002247	C5H8O2	7	C1	1505.209736
dsgdb9nsd_002248	C6H8O	7	C1	1565.658598
dsgdb9nsd_002249	C5H7NO	7	C1	1443.424372
dsgdb9nsd_002250	C5H7NO	7	C1	1428.522559
dsgdb9nsd_002251	C5H6O2	7	C1	1374.691261
dsgdb9nsd_002252	C5H7NO	7	C1	1430.150488
dsgdb9nsd_002253	C5H7NO	7	C1	1429.953971
dsgdb9nsd_002254	C5H6O2	7	C1	1361.882136
dsgdb9nsd_002255	C4H6N2O	7	C1	1300.766407
dsgdb9nsd_002257	C5H6O2	7	C1	1366.252583
dsgdb9nsd_002258	C4H5NO2	7	C1	1243.1852
dsgdb9nsd_002260	C4H4O3	7	C1	1173.79156
dsgdb9nsd_002262	C5H9NO	7	C1	1558.79857
dsgdb9nsd_002263	C5H9NO	7	C1	1563.66714
dsgdb9nsd_002264	C5H8O2	7	C1	1496.090856
dsgdb9nsd_002265	C7H12	7	C1	1887.471838
dsgdb9nsd_002266	C6H10O	7	C1	1690.735706
dsgdb9nsd_002267	C6H10O	7	C1	1689.862696
dsgdb9nsd_002268	C6H10O	7	C1	1684.155158
dsgdb9nsd_002269	C5H8O2	7	C1	1486.039892
dsgdb9nsd_002270	C5H8O2	7	C1	1496.344464
dsgdb9nsd_002271	C7H10	7	C1	1734.302743
dsgdb9nsd_002272	C6H8O	7	C1	1533.028267
dsgdb9nsd_002273	C6H8O	7	C1	1531.060881
dsgdb9nsd_002274	C6H9N	7	C1	1645.35132
dsgdb9nsd_002275	C5H7NO	7	C1	1443.343712
dsgdb9nsd_002276	C5H7NO	7	C1	1441.246118
dsgdb9nsd_002277	C5H8N2	7	C1	1505.07708
dsgdb9nsd_002278	C4H7NO2	7	C1	1369.212972
dsgdb9nsd_002279	C6H10O	7	C1	1706.159883
dsgdb9nsd_002280	C5H8O2	7	C1	1505.494682
dsgdb9nsd_002281	C5H8O2	7	C1	1501.869421
dsgdb9nsd_002282	C5H9NO	7	C1	1568.048613
dsgdb9nsd_002283	C5H9NO	7	C1	1594.712263
dsgdb9nsd_002284	C4H7NO2	7	C1	1390.063337
dsgdb9nsd_002285	C5H8O2	7	C1	1520.508129
dsgdb9nsd_002286	C4H6O3	7	C1	1314.581198
dsgdb9nsd_002287	C7H10	7	C1	1738.508776
dsgdb9nsd_002289	C6H8O	7	C1	1534.94908
dsgdb9nsd_002290	C5H9NO	7	C1	1579.051
dsgdb9nsd_002302	C7H10	7	C1	1737.947042
dsgdb9nsd_002303	C6H8O	7	C1	1540.424151
dsgdb9nsd_002304	C6H9N	7	C1	1597.497652
dsgdb9nsd_002305	C6H9N	7	C1	1605.597219
dsgdb9nsd_002306	C6H8O	7	C1	1537.826858
dsgdb9nsd_002307	C7H10	7	C1	1731.613651
dsgdb9nsd_002309	C6H9N	7	C1	1591.224754
dsgdb9nsd_002310	C5H8N2	7	C1	1501.420765
dsgdb9nsd_002311	C6H9N	7	C1	1601.641662
dsgdb9nsd_002312	C5H8N2	7	C1	1512.4725
dsgdb9nsd_002313	C6H8O	7	C1	1533.525807
dsgdb9nsd_002315	C6H9N	7	C1	1591.708256
dsgdb9nsd_002316	C5H8N2	7	C1	1502.006024
dsgdb9nsd_002317	C6H8O	7	C1	1534.783173
dsgdb9nsd_002318	C5H7NO	7	C1	1446.034373
dsgdb9nsd_002319	C6H10O	7	C1	1704.259483
dsgdb9nsd_002320	C5H9NO	7	C1	1591.478361
dsgdb9nsd_002321	C5H8O2	7	C1	1515.699015
dsgdb9nsd_002322	C5H9NO	7	C1	1565.197391
dsgdb9nsd_002323	C5H9NO	7	C1	1574.469522
dsgdb9nsd_002324	C5H8O2	7	C1	1506.204696
dsgdb9nsd_002325	C5H9NO	7	C1	1563.83601
dsgdb9nsd_002326	C5H8O2	7	C1	1506.876784
dsgdb9nsd_002327	C4H7NO2	7	C1	1393.743548
dsgdb9nsd_002328	C4H7NO2	7	C1	1371.362148
dsgdb9nsd_002329	C4H6O3	7	C1	1316.229013
dsgdb9nsd_002348	C6H10O	7	C1	1713.612933
dsgdb9nsd_002349	C5H8O2	7	C1	1511.233369
dsgdb9nsd_002350	C5H8O2	7	C1	1509.325715
dsgdb9nsd_002351	C5H9NO	7	C1	1593.226352
dsgdb9nsd_002352	C5H9NO	7	C1	1602.839183
dsgdb9nsd_002353	C4H7NO2	7	C1	1403.332113
dsgdb9nsd_002354	C4H7NO2	7	C1	1398.641021
dsgdb9nsd_002355	C4H8N2O	7	C1	1477.708461
dsgdb9nsd_002356	C4H7NO2	7	C1	1405.383843
dsgdb9nsd_002357	C4H7NO2	7	C1	1402.660797
dsgdb9nsd_002374	C5H8O2	7	C1	1519.676641
dsgdb9nsd_002375	C6H10O	7	C1	1714.795336
dsgdb9nsd_002376	C5H9NO	7	C1	1603.489119
dsgdb9nsd_002377	C5H9NO	7	C1	1585.634842
dsgdb9nsd_002378	C4H8N2O	7	C1	1471.882587
dsgdb9nsd_002379	C5H9NO	7	C1	1579.818927
dsgdb9nsd_002380	C4H8N2O	7	C1	1468.277407
dsgdb9nsd_002381	C5H8O2	7	C1	1511.633105
dsgdb9nsd_002382	C4H7NO2	7	C1	1404.33567
dsgdb9nsd_002383	C5H9NO	7	C1	1572.30912
dsgdb9nsd_002384	C4H8N2O	7	C1	1461.607703
dsgdb9nsd_002385	C4H7NO2	7	C1	1408.831851
dsgdb9nsd_002386	C4H7NO2	7	C1	1410.008011
dsgdb9nsd_002387	C7H12	7	C1	1887.669943
dsgdb9nsd_002388	C6H10O	7	CS	1690.90268
dsgdb9nsd_002389	C6H10O	7	C1	1684.539363
dsgdb9nsd_002390	C5H8O2	7	CS	1486.212218
dsgdb9nsd_002391	C5H8O2	7	C1	1481.068592
dsgdb9nsd_002392	C7H12	7	C1	1885.14241
dsgdb9nsd_002393	C6H10O	7	C1	1684.069434
dsgdb9nsd_002394	C6H10O	7	C1	1681.686467
dsgdb9nsd_002395	C5H9NO	7	C1	1552.278822
dsgdb9nsd_002396	C6H10O	7	C1	1691.18386
dsgdb9nsd_002397	C5H8O2	7	C1	1485.851375
dsgdb9nsd_002398	C5H9NO	7	C1	1543.608034
dsgdb9nsd_002399	C6H10O	7	C1	1687.724194
dsgdb9nsd_002400	C5H8O2	7	C1	1486.011346
dsgdb9nsd_002401	C5H8O2	7	C1	1483.662779
dsgdb9nsd_002402	C6H8O	7	C1	1547.370079
dsgdb9nsd_002403	C5H7NO	7	CS	1411.184986
dsgdb9nsd_002404	C5H6O2	7	CS	1336.41113
dsgdb9nsd_002405	C5H7NO	7	C1	1406.441617
dsgdb9nsd_002406	C5H6O2	7	C1	1352.113325
dsgdb9nsd_002407	C4H5NO2	7	CS	1216.830585
dsgdb9nsd_002408	C4H4O3	7	CS	1140.34199
dsgdb9nsd_002409	C7H12	7	C1	1871.315401
dsgdb9nsd_002410	C6H10O	7	C1	1677.929981
dsgdb9nsd_002411	C6H10O	7	C1	1665.631329
dsgdb9nsd_002412	C5H8O2	7	C1	1471.810336
dsgdb9nsd_002413	C5H9NO	7	C1	1530.035317
dsgdb9nsd_002414	C5H8O2	7	C1	1484.701954
dsgdb9nsd_002415	C4H7NO2	7	C1	1351.291395
dsgdb9nsd_002416	C4H6O3	7	C1	1278.601723
dsgdb9nsd_002417	C7H10	7	C1	1719.27827
dsgdb9nsd_002419	C6H8O	7	C1	1513.331648
dsgdb9nsd_002420	C6H9N	7	C1	1580.675723
dsgdb9nsd_002421	C5H8N2	7	C1	1448.184233
dsgdb9nsd_002422	C5H7NO	7	C1	1376.981966
dsgdb9nsd_002423	C6H8O	7	C1	1515.660787
dsgdb9nsd_002424	C5H7NO	7	C1	1378.185197
dsgdb9nsd_002425	C5H6O2	7	CS	1306.382341
dsgdb9nsd_002426	C6H8O	7	C1	1525.272137
dsgdb9nsd_002427	C5H6O2	7	C1	1316.999099
dsgdb9nsd_002428	C5H7NO	7	C1	1388.204967
dsgdb9nsd_002429	C7H10	7	C1	1733.928239
dsgdb9nsd_002430	C6H9N	7	C1	1608.963292
dsgdb9nsd_002431	C6H9N	7	C1	1600.686907
dsgdb9nsd_002432	C6H8O	7	C1	1527.068973
dsgdb9nsd_002433	C6H9N	7	C1	1592.179202
dsgdb9nsd_002434	C6H8O	7	C1	1529.76252
dsgdb9nsd_002435	C6H8O	7	C1	1536.279244
dsgdb9nsd_002436	C5H6O2	7	C1	1328.793623
dsgdb9nsd_002437	C5H7NO	7	C1	1393.907127
dsgdb9nsd_002438	C7H10	7	CS	1763.66582
dsgdb9nsd_002439	C5H7NO	7	CS	1444.368322
dsgdb9nsd_002440	C6H8O	7	C1	1561.71408
dsgdb9nsd_002441	C7H12	7	CS	1906.815465
dsgdb9nsd_002442	C6H10O	7	CS	1702.659817
dsgdb9nsd_002443	C6H10O	7	C1	1701.990741
dsgdb9nsd_002444	C5H8O2	7	CS	1500.51348
dsgdb9nsd_002445	C6H10O	7	CS	1707.298681
dsgdb9nsd_002446	C5H9NO	7	C1	1558.645797
dsgdb9nsd_002447	C5H8O2	7	CS	1503.26157
dsgdb9nsd_002449	C4H5NO2	7	C1	1248.751705
dsgdb9nsd_002450	C6H8O	7	CS	1583.438528
dsgdb9nsd_002451	C5H7NO	7	C1	1467.386344
dsgdb9nsd_002452	C5H6O2	7	C1	1394.74147
dsgdb9nsd_002453	C5H7NO	7	C1	1445.182158
dsgdb9nsd_002454	C5H7NO	7	CS	1452.802715
dsgdb9nsd_002455	C5H6O2	7	CS	1385.034256
dsgdb9nsd_002456	C4H6N2O	7	C1	1344.008061
dsgdb9nsd_002457	C4H5NO2	7	C1	1271.736838
dsgdb9nsd_002458	C4H4O3	7	CS	1198.33057
dsgdb9nsd_002459	C7H10	7	C1	1765.241929
dsgdb9nsd_002460	C6H9N	7	C1	1632.617338
dsgdb9nsd_002461	C6H8O	7	C1	1565.241405
dsgdb9nsd_002462	C5H7NO	7	C1	1448.308473
dsgdb9nsd_002463	C4H6N2O	7	C1	1326.805371
dsgdb9nsd_002464	C7H12	7	CS	1904.863966
dsgdb9nsd_002465	C6H10O	7	C1	1703.273678
dsgdb9nsd_002466	C6H10O	7	CS	1709.676158
dsgdb9nsd_002467	C5H8O2	7	CS	1502.734757
dsgdb9nsd_002468	C5H9NO	7	CS	1567.778056
dsgdb9nsd_002469	C6H10O	7	C1	1712.163392
dsgdb9nsd_002470	C5H9NO	7	C1	1575.59085
dsgdb9nsd_002471	C5H9NO	7	CS	1585.76864
dsgdb9nsd_002472	C5H8O2	7	C1	1512.309604
dsgdb9nsd_002473	C5H7NO	7	CS	1444.006362
dsgdb9nsd_002474	C6H8O	7	C1	1577.955827
dsgdb9nsd_002475	C5H6O2	7	C1	1371.61125
dsgdb9nsd_002476	C5H7NO	7	CS	1434.245986
dsgdb9nsd_002477	C5H7NO	7	C1	1455.281215
dsgdb9nsd_002478	C5H6O2	7	CS	1388.536675
dsgdb9nsd_002479	C7H10	7	C1	1747.204846
dsgdb9nsd_002480	C6H8O	7	C1	1542.536348
dsgdb9nsd_002481	C7H12	7	C1	1902.648858
dsgdb9nsd_002482	C6H10O	7	C1	1701.110038
dsgdb9nsd_002484	C6H10O	7	C1	1707.745888
dsgdb9nsd_002485	C5H8O2	7	C1	1506.939805
dsgdb9nsd_002486	C7H10	7	C1	1734.653966
dsgdb9nsd_002487	C6H9N	7	C1	1609.684357
dsgdb9nsd_002488	C6H8O	7	C1	1530.520696
dsgdb9nsd_002489	C6H9N	7	C1	1599.759937
dsgdb9nsd_002490	C6H8O	7	C1	1538.927403
dsgdb9nsd_002491	C5H7NO	7	C1	1404.903666
dsgdb9nsd_002492	C7H4	7	C1	1267.391536
dsgdb9nsd_002493	C6H3N	7	CS	1175.254071
dsgdb9nsd_002495	C5H3NO	7	C1	1150.791197
dsgdb9nsd_002496	C4H2N2O	7	C1	1055.525497
dsgdb9nsd_002497	C5H4O2	7	C1	1216.464898
dsgdb9nsd_002498	C3H6N4	7	C1	1274.82886
dsgdb9nsd_002499	C3H5N3O	7	C1	1206.134981
dsgdb9nsd_002500	C3H4N2O2	7	C1	1148.348227
dsgdb9nsd_002501	C3H3NO3	7	C1	1089.046113
dsgdb9nsd_002502	C4H7N3	7	C1	1395.953442
dsgdb9nsd_002503	C7H8	7	C1	1578.32693
dsgdb9nsd_002504	C6H7N	7	C1	1487.982542
dsgdb9nsd_002505	C5H6N2	7	C1	1395.284787
dsgdb9nsd_002507	C4H5N3	7	C1	1255.995392
dsgdb9nsd_002508	C6H6O	7	C1	1366.746382
dsgdb9nsd_002509	C5H5NO	7	C1	1274.932104
dsgdb9nsd_002510	C4H4N2O	7	C1	1180.358773
dsgdb9nsd_002511	C6H6O	7	C1	1382.054031
dsgdb9nsd_002512	C5H5NO	7	C1	1290.704223
dsgdb9nsd_002513	C4H8N2O	7	C1	1456.081038
dsgdb9nsd_002515	C5H7NO	7	C1	1461.706084
dsgdb9nsd_002516	C5H7NO	7	C1	1415.001599
dsgdb9nsd_002517	C4H6N2O	7	C1	1322.253844
dsgdb9nsd_002518	C5H6O2	7	C1	1341.097409
dsgdb9nsd_002520	C5H6O2	7	C1	1354.500459
dsgdb9nsd_002521	C4H5NO2	7	C1	1263.410295
dsgdb9nsd_002522	C5H8O2	7	C1	1524.375746
dsgdb9nsd_002523	C4H8N2O	7	C1	1469.594625
dsgdb9nsd_002524	C4H7NO2	7	CS	1412.656659
dsgdb9nsd_002525	C4H7NO2	7	C1	1386.028143
dsgdb9nsd_002526	C4H6O3	7	C1	1315.580946
dsgdb9nsd_002527	C4H6O3	7	C1	1326.29151
dsgdb9nsd_002528	C7H12	7	C1	1885.165527
dsgdb9nsd_002529	C6H11N	7	CS	1796.508531
dsgdb9nsd_002530	C6H10O	7	C1	1687.807088
dsgdb9nsd_002532	C5H10N2	7	C1	1658.271897
dsgdb9nsd_002533	C6H10O	7	C1	1677.767808
dsgdb9nsd_002534	C5H9NO	7	C1	1587.523276
dsgdb9nsd_002535	C4H9N3	7	C1	1530.984739
dsgdb9nsd_002536	C4H8N2O	7	C1	1461.113696
dsgdb9nsd_002537	C4H8N2O	7	C1	1458.967902
dsgdb9nsd_002538	C5H8O2	7	C1	1482.095267
dsgdb9nsd_002539	C4H7NO2	7	C1	1389.729257
dsgdb9nsd_002540	C5H8O2	7	C1	1492.067171
dsgdb9nsd_002541	C4H7NO2	7	CS	1400.981243
dsgdb9nsd_002555	C7H6	7	C1	1428.189465
dsgdb9nsd_002556	C6H5N	7	C1	1337.433086
dsgdb9nsd_002557	C6H5N	7	C1	1293.24888
dsgdb9nsd_002558	C5H4N2	7	C1	1201.33678
dsgdb9nsd_002559	C6H4O	7	C1	1222.660017
dsgdb9nsd_002560	C5H3NO	7	C1	1129.481746
dsgdb9nsd_002561	C5H4N2	7	C1	1244.57135
dsgdb9nsd_002562	C4H3N3	7	C1	1106.857983
dsgdb9nsd_002563	C4H2N2O	7	C1	1033.860016
dsgdb9nsd_002564	C6H6O	7	C1	1405.545238
dsgdb9nsd_002565	C5H5NO	7	C1	1314.256512
dsgdb9nsd_002566	C5H5NO	7	C1	1271.006386
dsgdb9nsd_002568	C5H4O2	7	C1	1197.776102
dsgdb9nsd_002569	C4H3NO2	7	C1	1102.934599
dsgdb9nsd_002570	C5H6O2	7	C1	1379.75099
dsgdb9nsd_002571	C4H5NO2	7	C1	1245.904914
dsgdb9nsd_002572	C4H4O3	7	C1	1170.6666
dsgdb9nsd_002583	C7H10	7	C1	1734.553665
dsgdb9nsd_002584	C6H9N	7	C1	1645.315031
dsgdb9nsd_002585	C6H9N	7	C1	1600.551986
dsgdb9nsd_002586	C5H8N2	7	C1	1510.234813
dsgdb9nsd_002587	C6H8O	7	C1	1532.717713
dsgdb9nsd_002589	C5H8N2	7	C1	1506.479991
dsgdb9nsd_002590	C6H8O	7	C1	1525.744244
dsgdb9nsd_002591	C5H7NO	7	C1	1435.124267
dsgdb9nsd_002592	C4H7N3	7	C1	1379.333495
dsgdb9nsd_002593	C4H6N2O	7	C1	1310.857933
dsgdb9nsd_002594	C6H8O	7	C1	1537.879142
dsgdb9nsd_002595	C5H7NO	7	C1	1447.636988
dsgdb9nsd_002596	C5H7NO	7	C1	1403.476114
dsgdb9nsd_002597	C4H6N2O	7	C1	1312.157166
dsgdb9nsd_002598	C5H6O2	7	C1	1334.559958
dsgdb9nsd_002599	C4H5NO2	7	C1	1242.132408
dsgdb9nsd_002600	C6H10O	7	C1	1710.019273
dsgdb9nsd_002601	C5H9NO	7	C1	1576.625456
dsgdb9nsd_002602	C5H8O2	7	C1	1507.650873
dsgdb9nsd_002603	C5H8O2	7	C1	1500.709426
dsgdb9nsd_002604	C5H8O2	7	C1	1514.608385
dsgdb9nsd_002605	C4H7NO2	7	C1	1380.444846
dsgdb9nsd_002606	C4H6O3	7	C1	1309.862163
dsgdb9nsd_002607	C6H3N	7	CS	1188.227698
dsgdb9nsd_002608	C7H4	7	CS	1279.558713
dsgdb9nsd_002609	C6H3N	7	CS	1185.039981
dsgdb9nsd_002610	C5H2N2	7	CS	1092.270885
dsgdb9nsd_002611	C7H8	7	C1	1580.570552
dsgdb9nsd_002612	C6H7N	7	C1	1490.999852
dsgdb9nsd_002613	C5H6N2	7	C1	1352.839454
dsgdb9nsd_002614	C6H6O	7	C1	1367.863437
dsgdb9nsd_002615	C5H5NO	7	C1	1276.274039
dsgdb9nsd_002616	C5H6N2	7	C1	1400.449868
dsgdb9nsd_002617	C4H5N3	7	CS	1259.180693
dsgdb9nsd_002618	C4H4N2O	7	C2V	1183.486042
dsgdb9nsd_002619	C6H4O	7	C1	1246.388184
dsgdb9nsd_002620	C5H3NO	7	C1	1154.610088
dsgdb9nsd_002622	C5H3NO	7	C1	1158.507901
dsgdb9nsd_002623	C5H4O2	7	C1	1220.000707
dsgdb9nsd_002626	C6H8O	7	C1	1552.345206
dsgdb9nsd_002627	C5H7NO	7	C1	1462.404313
dsgdb9nsd_002628	C5H7NO	7	C1	1415.889789
dsgdb9nsd_002629	C4H6N2O	7	C1	1323.531265
dsgdb9nsd_002630	C5H6O2	7	C1	1341.911439
dsgdb9nsd_002631	C4H5NO2	7	C1	1249.914235
dsgdb9nsd_002632	C5H7NO	7	C1	1439.943232
dsgdb9nsd_002633	C4H6N2O	7	C1	1350.080809
dsgdb9nsd_002634	C5H6O2	7	C1	1364.285918
dsgdb9nsd_002635	C4H5NO2	7	C1	1273.144919
dsgdb9nsd_002636	C4H7NO2	7	C1	1389.231943
dsgdb9nsd_002637	C5H8O2	7	C1	1523.876794
dsgdb9nsd_002638	C4H7NO2	7	C1	1411.312866
dsgdb9nsd_002639	C4H6O3	7	C1	1334.637361
dsgdb9nsd_002640	C4H7NO2	7	C1	1387.144984
dsgdb9nsd_002641	C4H6O3	7	C1	1315.436066
dsgdb9nsd_002642	C7H4	7	C1	1290.684789
dsgdb9nsd_002643	C6H3N	7	C1	1195.539069
dsgdb9nsd_002645	C7H8	7	C1	1586.309603
dsgdb9nsd_002648	C6H8O	7	C1	1556.220215
dsgdb9nsd_002649	C5H7NO	7	C1	1441.937181
dsgdb9nsd_002650	C5H7NO	7	C1	1420.483786
dsgdb9nsd_002651	C5H6O2	7	C1	1365.847325
dsgdb9nsd_002652	C5H7NO	7	C1	1407.813798
dsgdb9nsd_002653	C4H6N2O	7	C1	1316.984308
dsgdb9nsd_002654	C4H7NO2	7	C1	1381.782376
dsgdb9nsd_002655	C6H6O	7	C1	1390.382764
dsgdb9nsd_002657	C7H8	7	C1	1581.294089
dsgdb9nsd_002658	C6H7N	7	C1	1491.205368
dsgdb9nsd_002659	C6H6O	7	C1	1380.081298
dsgdb9nsd_002660	C5H5NO	7	C1	1289.655152
dsgdb9nsd_002661	C6H8O	7	C1	1555.701102
dsgdb9nsd_002662	C5H6O2	7	C1	1355.834074
dsgdb9nsd_002663	C5H7NO	7	C1	1410.530896
dsgdb9nsd_002664	C4H6N2O	7	C1	1320.808269
dsgdb9nsd_002665	C4H8N2O	7	CS	1477.492039
dsgdb9nsd_002666	C4H7NO2	7	C1	1400.614583
dsgdb9nsd_002667	C4H7NO2	7	C1	1383.183511
dsgdb9nsd_002668	C7H8	7	C1	1586.885481
dsgdb9nsd_002669	C6H7N	7	C1	1493.272805
dsgdb9nsd_002670	C6H6O	7	C1	1375.475629
dsgdb9nsd_002671	C5H5NO	7	C1	1280.959126
dsgdb9nsd_002672	C6H6O	7	C1	1389.461662
dsgdb9nsd_002673	C5H5NO	7	C1	1295.442265
dsgdb9nsd_002675	C5H6O2	7	C1	1342.603777
dsgdb9nsd_002676	C5H6O2	7	C1	1356.193467
dsgdb9nsd_002678	C6H10O	7	C1	1677.277616
dsgdb9nsd_002680	C6H10O	7	C1	1686.648084
dsgdb9nsd_002681	C5H8O2	7	C1	1476.100719
dsgdb9nsd_002682	C5H8O2	7	C1	1489.550983
dsgdb9nsd_002686	C6H10O	7	C1	1690.359671
dsgdb9nsd_002687	C7H12	7	C1	1887.934695
dsgdb9nsd_002689	C6H10O	7	C1	1681.522743
dsgdb9nsd_002692	C7H12	7	C1	1883.695134
dsgdb9nsd_002694	C5H10N2	7	C1	1657.215968
dsgdb9nsd_002695	C6H10O	7	C1	1675.591253
dsgdb9nsd_002696	C5H9NO	7	C1	1584.745737
dsgdb9nsd_002697	C6H10O	7	C1	1680.135219
dsgdb9nsd_002698	C5H9NO	7	C1	1590.640442
dsgdb9nsd_002699	C6H10O	7	C1	1676.682417
dsgdb9nsd_002700	C5H9NO	7	CS	1587.37893
dsgdb9nsd_002701	C6H10O	7	C1	1686.475977
dsgdb9nsd_002702	C5H9NO	7	C1	1597.387405
dsgdb9nsd_002703	C4H8N2O	7	C1	1461.23574
dsgdb9nsd_002704	C5H8O2	7	C1	1479.93263
dsgdb9nsd_002705	C4H7NO2	7	C1	1388.437572
dsgdb9nsd_002732	C5H5NO	7	C1	1279.298554
dsgdb9nsd_002733	C4H4N2O	7	C1	1187.254368
dsgdb9nsd_002734	C6H6O	7	C1	1409.667725
dsgdb9nsd_002735	C5H5NO	7	C1	1318.498376
dsgdb9nsd_002736	C5H5NO	7	C1	1272.771727
dsgdb9nsd_002737	C4H4N2O	7	C1	1180.731062
dsgdb9nsd_002738	C5H4O2	7	C1	1202.273877
dsgdb9nsd_002739	C4H3NO2	7	C1	1108.817852
dsgdb9nsd_002740	C5H5NO	7	C1	1294.963337
dsgdb9nsd_002741	C4H4N2O	7	C1	1203.442438
dsgdb9nsd_002742	C5H4O2	7	C1	1226.237787
dsgdb9nsd_002743	C4H3NO2	7	C1	1133.275361
dsgdb9nsd_002744	C4H6N2O	7	C1	1332.411849
dsgdb9nsd_002745	C4H5NO2	7	C1	1253.135097
dsgdb9nsd_002746	C4H6N2O	7	C1	1331.726213
dsgdb9nsd_002747	C4H5NO2	7	C1	1268.451092
dsgdb9nsd_002748	C4H4O3	7	C1	1199.401007
dsgdb9nsd_002749	C4H5NO2	7	C1	1273.889786
dsgdb9nsd_002750	C7H10	7	C1	1736.036175
dsgdb9nsd_002751	C6H9N	7	C1	1647.023463
dsgdb9nsd_002752	C5H8N2	7	C1	1511.783651
dsgdb9nsd_002753	C6H8O	7	C1	1532.151084
dsgdb9nsd_002754	C5H7NO	7	C1	1441.193451
dsgdb9nsd_002755	C6H8O	7	C1	1535.261461
dsgdb9nsd_002756	C5H7NO	7	C1	1444.969659
dsgdb9nsd_002757	C5H8N2	7	C1	1507.100133
dsgdb9nsd_002758	C4H7N3	7	C1	1384.296349
dsgdb9nsd_002759	C4H6N2O	7	C1	1314.367838
dsgdb9nsd_002760	C6H8O	7	C1	1542.589856
dsgdb9nsd_002761	C5H7NO	7	C1	1452.546873
dsgdb9nsd_002762	C4H6N2O	7	C1	1314.453838
dsgdb9nsd_002763	C5H6O2	7	C1	1337.256768
dsgdb9nsd_002764	C4H5NO2	7	C1	1243.301647
dsgdb9nsd_002765	C6H10O	7	C1	1707.125651
dsgdb9nsd_002766	C5H9NO	7	C1	1591.013615
dsgdb9nsd_002767	C5H8O2	7	C1	1503.228676
dsgdb9nsd_002768	C5H8O2	7	C1	1506.435551
dsgdb9nsd_002769	C5H9NO	7	C1	1570.437836
dsgdb9nsd_002770	C5H8O2	7	C1	1511.773642
dsgdb9nsd_002771	C4H7NO2	7	C1	1377.590086
dsgdb9nsd_002772	C4H6O3	7	C1	1309.087088
dsgdb9nsd_002773	C5H9NO	7	C1	1579.57743
dsgdb9nsd_002774	C4H8N2O	7	C1	1450.835944
dsgdb9nsd_002775	C4H7NO2	7	C1	1381.348171
dsgdb9nsd_002776	C6H10O	7	C1	1714.61435
dsgdb9nsd_002777	C5H9NO	7	C1	1600.715791
dsgdb9nsd_002778	C5H9NO	7	C1	1586.261787
dsgdb9nsd_002779	C5H8O2	7	C1	1533.172651
dsgdb9nsd_002780	C5H9NO	7	C1	1580.806289
dsgdb9nsd_002781	C5H8O2	7	C1	1511.312373
dsgdb9nsd_002782	C5H9NO	7	C1	1598.23128
dsgdb9nsd_002783	C4H8N2O	7	C1	1448.772002
dsgdb9nsd_002784	C4H7NO2	7	C1	1395.258017
dsgdb9nsd_002785	C5H8O2	7	C1	1506.721965
dsgdb9nsd_002786	C4H7NO2	7	C1	1392.053985
dsgdb9nsd_002787	C4H7NO2	7	C1	1377.513868
dsgdb9nsd_002788	C4H6O3	7	C1	1323.447581
dsgdb9nsd_002789	C5H8O2	7	C1	1518.734128
dsgdb9nsd_002790	C4H7NO2	7	C1	1404.717145
dsgdb9nsd_002791	C4H7NO2	7	C1	1390.529175
dsgdb9nsd_002793	C4H7NO2	7	C1	1384.086516
dsgdb9nsd_002794	C4H6O3	7	C1	1313.606475
dsgdb9nsd_002808	C7H6	7	C1	1429.310215
dsgdb9nsd_002809	C6H5N	7	C1	1338.916738
dsgdb9nsd_002810	C6H5N	7	C1	1293.529653
dsgdb9nsd_002811	C5H4N2	7	C1	1201.910907
dsgdb9nsd_002812	C6H4O	7	C1	1224.294516
dsgdb9nsd_002813	C5H3NO	7	C1	1131.329881
dsgdb9nsd_002814	C5H4N2	7	C1	1246.364063
dsgdb9nsd_002815	C4H3N3	7	C1	1108.125257
dsgdb9nsd_002816	C4H2N2O	7	C1	1036.015668
dsgdb9nsd_002817	C6H6O	7	C1	1403.799921
dsgdb9nsd_002818	C5H5NO	7	C1	1312.604932
dsgdb9nsd_002819	C5H5NO	7	C1	1268.753175
dsgdb9nsd_002820	C4H4N2O	7	C1	1176.293095
dsgdb9nsd_002821	C5H4O2	7	C1	1198.479792
dsgdb9nsd_002822	C4H3NO2	7	C1	1104.537911
dsgdb9nsd_002823	C5H5NO	7	C1	1273.713424
dsgdb9nsd_002824	C4H4N2O	7	C1	1180.650101
dsgdb9nsd_002825	C5H6O2	7	C1	1375.960851
dsgdb9nsd_002826	C4H5NO2	7	C1	1246.523601
dsgdb9nsd_002827	C4H5NO2	7	CS	1241.966451
dsgdb9nsd_002828	C4H4O3	7	C1	1169.284272
dsgdb9nsd_002829	C7H10	7	C1	1733.765124
dsgdb9nsd_002830	C6H9N	7	C1	1644.682031
dsgdb9nsd_002831	C6H9N	7	C1	1601.048214
dsgdb9nsd_002832	C5H8N2	7	C1	1510.630765
dsgdb9nsd_002833	C6H8O	7	C1	1532.623461
dsgdb9nsd_002834	C5H7NO	7	C1	1440.852594
dsgdb9nsd_002835	C6H9N	7	C1	1594.755555
dsgdb9nsd_002836	C5H8N2	7	C1	1504.343735
dsgdb9nsd_002837	C6H8O	7	C1	1525.574841
dsgdb9nsd_002838	C5H7NO	7	C1	1436.098168
dsgdb9nsd_002841	C5H7NO	7	C1	1404.411925
dsgdb9nsd_002842	C4H6N2O	7	C1	1313.197433
dsgdb9nsd_002843	C5H6O2	7	C1	1334.96435
dsgdb9nsd_002844	C4H5NO2	7	C1	1242.389104
dsgdb9nsd_002845	C6H10O	7	C1	1706.956676
dsgdb9nsd_002846	C5H9NO	7	C1	1579.455405
dsgdb9nsd_002847	C5H9NO	7	C1	1575.047464
dsgdb9nsd_002848	C5H8O2	7	C1	1505.550379
dsgdb9nsd_002849	C5H9NO	7	C1	1566.5734
dsgdb9nsd_002850	C5H8O2	7	C1	1500.009653
dsgdb9nsd_002851	C5H8O2	7	C1	1508.891366
dsgdb9nsd_002852	C4H7NO2	7	C1	1380.979296
dsgdb9nsd_002853	C4H7NO2	7	C1	1377.915493
dsgdb9nsd_002854	C4H6O3	7	C1	1307.462805
dsgdb9nsd_002868	C7H8	7	C1	1613.772896
dsgdb9nsd_002869	C6H6O	7	C1	1408.053858
dsgdb9nsd_002870	C5H5NO	7	C1	1290.29636
dsgdb9nsd_002871	C6H7N	7	C1	1523.10044
dsgdb9nsd_002872	C5H5NO	7	C1	1315.971765
dsgdb9nsd_002873	C4H5N3	7	C1	1267.231502
dsgdb9nsd_002874	C4H4N2O	7	C1	1195.578401
dsgdb9nsd_002875	C7H8	7	C1	1609.977749
dsgdb9nsd_002876	C5H5NO	7	C1	1289.626645
dsgdb9nsd_002877	C6H7N	7	CS	1520.806196
dsgdb9nsd_002878	C4H5N3	7	C1	1268.523142
dsgdb9nsd_002879	C4H4N2O	7	C1	1197.263747
dsgdb9nsd_002880	C7H8	7	C1	1609.427869
dsgdb9nsd_002881	C5H5NO	7	C1	1289.361258
dsgdb9nsd_002882	C6H6O	7	C1	1403.230789
dsgdb9nsd_002883	C6H7N	7	C1	1520.156811
dsgdb9nsd_002884	C4H5N3	7	C1	1268.561044
dsgdb9nsd_002885	C5H6N2	7	C1	1383.186479
dsgdb9nsd_002886	C5H5NO	7	C1	1312.496442
dsgdb9nsd_002887	C7H10	7	C1	1753.557721
dsgdb9nsd_002889	C6H8O	7	C1	1549.976584
dsgdb9nsd_002890	C5H6O2	7	C1	1348.228998
dsgdb9nsd_002891	C5H6O2	7	C1	1347.64301
dsgdb9nsd_002892	C6H9N	7	C1	1664.549653
dsgdb9nsd_002893	C5H8N2	7	C1	1530.675527
dsgdb9nsd_002894	C5H7NO	7	C1	1459.391502
dsgdb9nsd_002895	C5H7NO	7	C1	1460.222356
dsgdb9nsd_002896	C4H5NO2	7	C1	1256.579051
dsgdb9nsd_002897	C4H5NO2	7	C1	1255.964174
dsgdb9nsd_002898	C6H8O	7	C1	1587.325648
dsgdb9nsd_002899	C5H6O2	7	C1	1380.789229
dsgdb9nsd_002900	C5H7NO	7	C1	1460.189167
dsgdb9nsd_002901	C4H6N2O	7	C1	1336.072777
dsgdb9nsd_002902	C4H5NO2	7	C1	1260.287055
dsgdb9nsd_002903	C6H8O	7	C1	1582.491051
dsgdb9nsd_002904	C4H5NO2	7	C1	1261.723744
dsgdb9nsd_002905	C5H7NO	7	C1	1464.566874
dsgdb9nsd_002906	C6H8O	7	C1	1582.513642
dsgdb9nsd_002907	C4H5NO2	7	C1	1264.38473
dsgdb9nsd_002908	C5H6O2	7	C1	1375.960192
dsgdb9nsd_002909	C5H7NO	7	C1	1465.608647
dsgdb9nsd_002910	C4H6N2O	7	C1	1343.52528
dsgdb9nsd_002911	C6H10O	7	C1	1724.463827
dsgdb9nsd_002912	C5H8O2	7	C1	1521.989403
dsgdb9nsd_002913	C5H8O2	7	C1	1522.716881
dsgdb9nsd_002914	C4H6O3	7	C1	1319.80699
dsgdb9nsd_002915	C4H6O3	7	C1	1321.076021
dsgdb9nsd_002916	C5H9NO	7	C1	1609.565808
dsgdb9nsd_002917	C4H7N3	7	C1	1402.005225
dsgdb9nsd_002919	C5H9NO	7	C1	1595.669573
dsgdb9nsd_002920	C4H7NO2	7	C1	1392.527824
dsgdb9nsd_002921	C7H12	7	C1	1914.712923
dsgdb9nsd_002922	C6H10O	7	C1	1709.965803
dsgdb9nsd_002923	C5H9NO	7	C1	1600.084027
dsgdb9nsd_002924	C4H8N2O	7	C1	1470.455047
dsgdb9nsd_002925	C6H10O	7	C1	1716.607822
dsgdb9nsd_002926	C5H8O2	7	C1	1511.529685
dsgdb9nsd_002927	C4H7NO2	7	C1	1402.972362
dsgdb9nsd_002928	C7H12	7	C1	1912.949972
dsgdb9nsd_002929	C5H9NO	7	C1	1597.957341
dsgdb9nsd_002930	C6H10O	7	C1	1707.347269
dsgdb9nsd_002931	C4H7NO2	7	C1	1397.02856
dsgdb9nsd_002932	C6H10O	7	C1	1716.387836
dsgdb9nsd_002933	C4H7NO2	7	C1	1401.312737
dsgdb9nsd_002934	C7H12	7	C1	1912.810577
dsgdb9nsd_002935	C5H9NO	7	C1	1596.802008
dsgdb9nsd_002936	C6H10O	7	C1	1710.997912
dsgdb9nsd_002937	C6H10O	7	C1	1707.062581
dsgdb9nsd_002938	C5H8O2	7	C1	1510.7192
dsgdb9nsd_002939	C6H10O	7	C1	1716.181241
dsgdb9nsd_002940	C4H7NO2	7	C1	1401.18886
dsgdb9nsd_002941	C5H8O2	7	C1	1515.171085
dsgdb9nsd_002955	C4H5N3	7	C1	1238.291366
dsgdb9nsd_002956	C6H6O	7	C1	1405.868412
dsgdb9nsd_002957	C5H5NO	7	C1	1272.651044
dsgdb9nsd_002958	C5H4O2	7	C1	1200.185143
dsgdb9nsd_002959	C5H5NO	7	C1	1274.008253
dsgdb9nsd_002960	C5H5NO	7	C1	1311.471876
dsgdb9nsd_002961	C4H4N2O	7	C1	1176.984692
dsgdb9nsd_002962	C4H3NO2	7	C1	1104.747505
dsgdb9nsd_002963	C4H4N2O	7	C1	1179.5107
dsgdb9nsd_002964	C4H6N2O	7	C1	1305.97776
dsgdb9nsd_002965	C5H6O2	7	C1	1372.988972
dsgdb9nsd_002966	C4H5NO2	7	C1	1243.855788
dsgdb9nsd_002967	C4H4O3	7	C1	1169.780896
dsgdb9nsd_002968	C4H5NO2	7	C1	1245.981815
dsgdb9nsd_002969	C7H10	7	C1	1732.551527
dsgdb9nsd_002970	C6H8O	7	C1	1531.485228
dsgdb9nsd_002971	C6H9N	7	C1	1593.893413
dsgdb9nsd_002972	C6H9N	7	C1	1643.54177
dsgdb9nsd_002973	C5H8N2	7	C1	1510.752126
dsgdb9nsd_002974	C5H7NO	7	C1	1441.795433
dsgdb9nsd_002975	C5H8N2	7	C1	1503.875023
dsgdb9nsd_002976	C5H8N2	7	C1	1512.688018
dsgdb9nsd_002977	C4H7N3	7	C1	1378.318662
dsgdb9nsd_002978	C4H6N2O	7	C1	1312.504493
dsgdb9nsd_002979	C6H8O	7	C1	1534.371019
dsgdb9nsd_002980	C5H7NO	7	C1	1402.424985
dsgdb9nsd_002981	C5H6O2	7	C1	1332.381421
dsgdb9nsd_002982	C5H7NO	7	C1	1443.754242
dsgdb9nsd_002983	C4H6N2O	7	C1	1310.338455
dsgdb9nsd_002984	C4H5NO2	7	C1	1240.156764
dsgdb9nsd_002986	C5H9NO	7	C1	1570.018258
dsgdb9nsd_002987	C5H8O2	7	C1	1503.59201
dsgdb9nsd_002988	C5H9NO	7	C1	1567.454894
dsgdb9nsd_002989	C5H9NO	7	C1	1585.900367
dsgdb9nsd_002990	C5H8O2	7	C1	1511.538226
dsgdb9nsd_002991	C4H7NO2	7	C1	1379.250984
dsgdb9nsd_002992	C4H6O3	7	C1	1309.619009
dsgdb9nsd_002994	C5H9NO	7	C1	1581.837939
dsgdb9nsd_002995	C5H8O2	7	C1	1509.542846
dsgdb9nsd_002996	C5H9NO	7	C1	1583.190731
dsgdb9nsd_002997	C5H9NO	7	C1	1597.445412
dsgdb9nsd_002998	C4H8N2O	7	C1	1465.259086
dsgdb9nsd_002999	C4H7NO2	7	C1	1395.093835
dsgdb9nsd_003000	C4H8N2O	7	C1	1464.071681
dsgdb9nsd_003001	C5H8O2	7	C1	1527.306322
dsgdb9nsd_003003	C4H6O3	7	C1	1320.548857
dsgdb9nsd_003004	C4H7NO2	7	C1	1391.936534
dsgdb9nsd_003005	C5H8O2	7	C1	1512.525085
dsgdb9nsd_003006	C4H7NO2	7	C1	1385.176343
dsgdb9nsd_003007	C4H6O3	7	C1	1312.911709
dsgdb9nsd_003008	C4H7NO2	7	C1	1386.800651
dsgdb9nsd_003024	C7H6	7	C1	1435.083102
dsgdb9nsd_003025	C6H5N	7	C1	1301.034705
dsgdb9nsd_003026	C6H4O	7	C1	1230.259138
dsgdb9nsd_003027	C6H5N	7	C1	1341.461195
dsgdb9nsd_003028	C5H4N2	7	C1	1206.361179
dsgdb9nsd_003029	C5H3NO	7	C1	1135.102355
dsgdb9nsd_003030	C7H10	7	C1	1731.98611
dsgdb9nsd_003031	C6H8O	7	C1	1531.701455
dsgdb9nsd_003032	C6H9N	7	C1	1593.903642
dsgdb9nsd_003033	C6H8O	7	C1	1522.759978
dsgdb9nsd_003034	C6H9N	7	C1	1643.049998
dsgdb9nsd_003035	C5H8N2	7	C1	1509.901242
dsgdb9nsd_003036	C5H7NO	7	C1	1442.364346
dsgdb9nsd_003037	C5H8N2	7	C1	1504.608732
dsgdb9nsd_003038	C5H8N2	7	C1	1504.264506
dsgdb9nsd_003039	C5H7NO	7	C1	1432.536769
dsgdb9nsd_003040	C6H6O	7	C1	1402.351033
dsgdb9nsd_003041	C5H5NO	7	C1	1267.729556
dsgdb9nsd_003042	C5H4O2	7	C1	1196.91979
dsgdb9nsd_003043	C4H8N2O	7	C1	1436.293298
dsgdb9nsd_003044	C4H7NO2	7	C1	1369.411466
dsgdb9nsd_003045	C6H10O	7	C1	1703.781879
dsgdb9nsd_003046	C5H8O2	7	C1	1503.560905
dsgdb9nsd_003047	C5H9NO	7	C1	1565.280361
dsgdb9nsd_003048	C5H8O2	7	C1	1496.48015
dsgdb9nsd_003049	C5H9NO	7	C1	1591.152195
dsgdb9nsd_003050	C4H8N2O	7	C1	1458.020632
dsgdb9nsd_003051	C4H7NO2	7	C1	1391.010575
dsgdb9nsd_003052	C5H8O2	7	C1	1516.306815
dsgdb9nsd_003053	C4H7NO2	7	C1	1382.035833
dsgdb9nsd_003054	C4H6O3	7	C1	1314.737535
dsgdb9nsd_003055	C7H10	7	C1	1735.536207
dsgdb9nsd_003056	C6H9N	7	C1	1602.81449
dsgdb9nsd_003057	C6H8O	7	C1	1534.709045
dsgdb9nsd_003058	C6H9N	7	C1	1596.353571
dsgdb9nsd_003059	C5H9NO	7	C1	1563.069827
dsgdb9nsd_003060	C7H10	7	C1	1735.673782
dsgdb9nsd_003061	C6H9N	7	C1	1602.550089
dsgdb9nsd_003062	C6H8O	7	C1	1532.432943
dsgdb9nsd_003063	C6H8O	7	C1	1534.874714
dsgdb9nsd_003064	C5H7NO	7	C1	1403.028285
dsgdb9nsd_003065	C5H6O2	7	C1	1332.673878
dsgdb9nsd_003066	C5H9NO	7	C1	1563.763564
dsgdb9nsd_003081	C6H9N	7	C1	1594.386441
dsgdb9nsd_003082	C5H8N2	7	C1	1504.216577
dsgdb9nsd_003083	C7H10	7	C1	1734.774103
dsgdb9nsd_003084	C6H9N	7	C1	1645.925183
dsgdb9nsd_003085	C6H8O	7	C1	1537.548237
dsgdb9nsd_003086	C5H7NO	7	C1	1447.582589
dsgdb9nsd_003087	C4H7N3	7	C1	1389.193288
dsgdb9nsd_003088	C4H6N2O	7	C1	1318.734005
dsgdb9nsd_003089	C5H6O2	7	C1	1339.755718
dsgdb9nsd_003091	C6H10O	7	C1	1706.270795
dsgdb9nsd_003092	C5H9NO	7	C1	1581.225503
dsgdb9nsd_003093	C5H9NO	7	C1	1565.881941
dsgdb9nsd_003094	C5H8O2	7	C1	1509.260485
dsgdb9nsd_003095	C4H6O3	7	C1	1309.922046
dsgdb9nsd_003108	C7H8	7	C1	1583.754134
dsgdb9nsd_003109	C6H6O	7	C1	1375.685557
dsgdb9nsd_003110	C6H6O	7	C1	1376.559445
dsgdb9nsd_003111	C6H7N	7	C1	1450.797471
dsgdb9nsd_003112	C6H6O	7	C1	1381.262422
dsgdb9nsd_003113	C6H7N	7	C1	1447.277224
dsgdb9nsd_003114	C6H7N	7	C1	1494.007894
dsgdb9nsd_003115	C5H6N2	7	C1	1356.928375
dsgdb9nsd_003116	C5H5NO	7	C1	1283.569151
dsgdb9nsd_003117	C5H6N2	7	C1	1355.730949
dsgdb9nsd_003118	C5H5NO	7	C1	1285.541784
dsgdb9nsd_003119	C5H6N2	7	C1	1359.874821
dsgdb9nsd_003120	C5H5NO	7	C1	1288.827518
dsgdb9nsd_003121	C5H6N2	7	C1	1355.844139
dsgdb9nsd_003122	C6H8O	7	C1	1558.760926
dsgdb9nsd_003123	C5H6O2	7	C1	1349.204938
dsgdb9nsd_003124	C5H6O2	7	C1	1350.800017
dsgdb9nsd_003125	C5H7NO	7	C1	1426.443633
dsgdb9nsd_003126	C5H6O2	7	C1	1352.239229
dsgdb9nsd_003127	C5H7NO	7	C1	1421.868674
dsgdb9nsd_003128	C7H12	7	C1	1885.929369
dsgdb9nsd_003129	C6H10O	7	C1	1682.205084
dsgdb9nsd_003130	C6H10O	7	C1	1679.410929
dsgdb9nsd_003131	C6H10O	7	C1	1687.860457
dsgdb9nsd_003132	C6H10O	7	C1	1678.85429
dsgdb9nsd_003134	C6H10O	7	C1	1689.117145
dsgdb9nsd_003135	C5H8O2	7	C1	1483.302074
dsgdb9nsd_003136	C5H8O2	7	C1	1482.243899
dsgdb9nsd_003137	C5H9NO	7	C1	1559.597647
dsgdb9nsd_003138	C5H8O2	7	C1	1490.428442
dsgdb9nsd_003139	C5H9NO	7	C1	1554.376536
dsgdb9nsd_003140	C4H6N2O	7	C1	1296.469924
dsgdb9nsd_003141	C5H7NO	7	C1	1433.187433
dsgdb9nsd_003142	C4H6N2O	7	C1	1301.112472
dsgdb9nsd_003143	C4H5NO2	7	C1	1229.291192
dsgdb9nsd_003144	C6H8O	7	CS	1564.363576
dsgdb9nsd_003145	C5H7NO	7	C1	1431.986675
dsgdb9nsd_003146	C5H6O2	7	C1	1360.391493
dsgdb9nsd_003147	C5H7NO	7	C1	1428.382116
dsgdb9nsd_003148	C5H6O2	7	CS	1358.0019
dsgdb9nsd_003149	C5H7NO	7	C1	1447.682119
dsgdb9nsd_003150	C4H6N2O	7	C1	1315.654459
dsgdb9nsd_003151	C4H5NO2	7	C1	1244.093294
dsgdb9nsd_003152	C5H6O2	7	CS	1380.405118
dsgdb9nsd_003153	C4H5NO2	7	C1	1247.385134
dsgdb9nsd_003154	C4H4O3	7	C1	1175.398555
dsgdb9nsd_003155	C7H12	7	C1	1886.003102
dsgdb9nsd_003156	C6H10O	7	C1	1688.829639
dsgdb9nsd_003157	C6H10O	7	C1	1684.457674
dsgdb9nsd_003158	C6H10O	7	C1	1685.226712
dsgdb9nsd_003159	C5H9NO	7	C1	1553.73086
dsgdb9nsd_003160	C5H8O2	7	C1	1486.154425
dsgdb9nsd_003161	C6H10O	7	C1	1692.014658
dsgdb9nsd_003162	C5H9NO	7	C1	1561.167601
dsgdb9nsd_003163	C5H8O2	7	C1	1492.925497
dsgdb9nsd_003164	C5H8O2	7	C1	1487.628758
dsgdb9nsd_003165	C7H10	7	CS	1760.912904
dsgdb9nsd_003166	C5H7NO	7	CS	1442.656263
dsgdb9nsd_003167	C6H8O	7	CS	1562.994607
dsgdb9nsd_003168	C7H10	7	C1	1761.769574
dsgdb9nsd_003169	C5H7NO	7	CS	1444.232529
dsgdb9nsd_003170	C6H8O	7	CS	1557.558229
dsgdb9nsd_003171	C6H9N	7	C1	1631.275321
dsgdb9nsd_003172	C6H8O	7	C1	1563.770121
dsgdb9nsd_003173	C7H12	7	C1	1904.429874
dsgdb9nsd_003174	C6H10O	7	C1	1702.310878
dsgdb9nsd_003175	C6H10O	7	C1	1700.700086
dsgdb9nsd_003176	C5H8O2	7	C1	1500.919479
dsgdb9nsd_003177	C5H9NO	7	C1	1568.992393
dsgdb9nsd_003179	C5H8O2	7	C1	1501.859174
dsgdb9nsd_003180	C7H12	7	C1	1883.819017
dsgdb9nsd_003181	C6H10O	7	C1	1685.752076
dsgdb9nsd_003182	C6H11N	7	C1	1746.116036
dsgdb9nsd_003183	C5H10N2	7	C1	1620.426103
dsgdb9nsd_003184	C5H9NO	7	C1	1553.506193
dsgdb9nsd_003185	C6H10O	7	C1	1687.979697
dsgdb9nsd_003186	C5H9NO	7	C1	1555.313401
dsgdb9nsd_003187	C5H8O2	7	C1	1485.607406
dsgdb9nsd_003188	C6H10O	7	C1	1688.391337
dsgdb9nsd_003189	C5H9NO	7	C1	1556.196671
dsgdb9nsd_003190	C5H8O2	7	C1	1488.138465
dsgdb9nsd_003191	C7H8	7	C2V	1620.206079
dsgdb9nsd_003192	C6H6O	7	C2	1413.083027
dsgdb9nsd_003193	C7H10	7	C1	1775.028505
dsgdb9nsd_003194	C6H8O	7	C1	1573.158887
dsgdb9nsd_003195	C6H8O	7	C1	1570.578448
dsgdb9nsd_003196	C5H6O2	7	C1	1370.680076
dsgdb9nsd_003197	C6H10O	7	C1	1722.116031
dsgdb9nsd_003198	C7H12	7	C2V	1924.392508
dsgdb9nsd_003199	C6H10O	7	C2V	1725.712514
dsgdb9nsd_003200	C5H8O2	7	C1	1526.038251
dsgdb9nsd_003201	C5H8O2	7	CS	1524.071818
dsgdb9nsd_003202	C5H8O2	7	C2	1518.039419
dsgdb9nsd_003203	C6H8O	7	C1	1563.373861
dsgdb9nsd_003204	C5H7NO	7	C1	1433.852958
dsgdb9nsd_003205	C5H7NO	7	C1	1426.728528
dsgdb9nsd_003206	C5H6O2	7	C1	1357.231475
dsgdb9nsd_003207	C5H7NO	7	C1	1426.898125
dsgdb9nsd_003208	C5H7NO	7	C1	1436.951537
dsgdb9nsd_003209	C5H6O2	7	C1	1366.740503
dsgdb9nsd_003210	C4H6N2O	7	C1	1292.345499
dsgdb9nsd_003211	C4H5NO2	7	C1	1235.879232
dsgdb9nsd_003212	C4H5NO2	7	C1	1230.347862
dsgdb9nsd_003213	C4H4O3	7	C1	1157.126658
dsgdb9nsd_003214	C5H9NO	7	C1	1556.451823
dsgdb9nsd_003215	C7H12	7	C1	1885.450849
dsgdb9nsd_003217	C5H9NO	7	C1	1561.083006
dsgdb9nsd_003218	C6H10O	7	C1	1685.758087
dsgdb9nsd_003219	C5H8O2	7	C1	1492.136536
dsgdb9nsd_003220	C5H8O2	7	C1	1498.583574
dsgdb9nsd_003221	C4H7NO2	7	C1	1366.646571
dsgdb9nsd_003222	C4H6O3	7	C1	1296.263637
dsgdb9nsd_003223	C7H10	7	C1	1717.789102
dsgdb9nsd_003225	C6H9N	7	C1	1585.327815
dsgdb9nsd_003226	C6H8O	7	C1	1518.382911
dsgdb9nsd_003227	C6H9N	7	C1	1583.0361
dsgdb9nsd_003228	C6H9N	7	C1	1585.163507
dsgdb9nsd_003229	C6H9N	7	C1	1586.868871
dsgdb9nsd_003230	C5H8N2	7	C1	1447.462164
dsgdb9nsd_003231	C5H7NO	7	C1	1380.550694
dsgdb9nsd_003232	C6H8O	7	C1	1521.483454
dsgdb9nsd_003233	C5H7NO	7	C1	1382.159139
dsgdb9nsd_003234	C5H6O2	7	C1	1314.351755
dsgdb9nsd_003235	C6H8O	7	C1	1519.862378
dsgdb9nsd_003236	C5H7NO	7	C1	1387.219031
dsgdb9nsd_003237	C5H6O2	7	C1	1319.800884
dsgdb9nsd_003238	C5H7NO	7	C1	1384.493198
dsgdb9nsd_003239	C7H12	7	C2	1882.678876
dsgdb9nsd_003240	C6H10O	7	C1	1682.345609
dsgdb9nsd_003241	C6H11N	7	C1	1744.174377
dsgdb9nsd_003242	C5H10N2	7	C1	1611.527999
dsgdb9nsd_003243	C5H8O2	7	C1	1482.506267
dsgdb9nsd_003244	C5H9NO	7	C1	1544.300528
dsgdb9nsd_003245	C6H10O	7	C2	1676.546511
dsgdb9nsd_003246	C7H10	7	C1	1731.264919
dsgdb9nsd_003247	C6H9N	7	C1	1597.177076
dsgdb9nsd_003248	C6H8O	7	C1	1529.727348
dsgdb9nsd_003250	C6H8O	7	C1	1525.618096
dsgdb9nsd_003251	C5H8N2	7	C1	1465.525157
dsgdb9nsd_003252	C5H7NO	7	C1	1397.615997
dsgdb9nsd_003253	C5H8N2	7	C1	1463.709119
dsgdb9nsd_003254	C6H8O	7	C1	1534.218013
dsgdb9nsd_003255	C5H7NO	7	C1	1398.347497
dsgdb9nsd_003256	C5H6O2	7	C1	1329.962547
dsgdb9nsd_003257	C5H7NO	7	C1	1396.127808
dsgdb9nsd_003258	C7H8	7	CS	1633.078872
dsgdb9nsd_003259	C7H10	7	C1	1770.904355
dsgdb9nsd_003260	C6H8O	7	C1	1564.566713
dsgdb9nsd_003261	C7H10	7	C1	1765.909474
dsgdb9nsd_003262	C5H7NO	7	C1	1439.630839
dsgdb9nsd_003263	C6H10O	7	CS	1708.653945
dsgdb9nsd_003264	C7H12	7	C1	1912.23965
dsgdb9nsd_003265	C5H9NO	7	C1	1588.375453
dsgdb9nsd_003266	C4H7NO2	7	C1	1390.090125
dsgdb9nsd_003267	C6H10O	7	C1	1706.660836
dsgdb9nsd_003268	C5H8O2	7	CS	1506.73887
dsgdb9nsd_003273	C4H6N2O	7	C1	1296.307757
dsgdb9nsd_003274	C5H7NO	7	C1	1435.648356
dsgdb9nsd_003275	C4H6N2O	7	C1	1297.727617
dsgdb9nsd_003276	C4H5NO2	7	C1	1228.722292
dsgdb9nsd_003277	C6H8O	7	C1	1562.811487
dsgdb9nsd_003278	C5H7NO	7	C1	1438.087065
dsgdb9nsd_003280	C5H6O2	7	C1	1360.964742
dsgdb9nsd_003281	C5H7NO	7	C1	1423.630878
dsgdb9nsd_003282	C5H7NO	7	C1	1450.191297
dsgdb9nsd_003283	C4H5NO2	7	C1	1243.564235
dsgdb9nsd_003284	C5H6O2	7	C1	1382.57344
dsgdb9nsd_003285	C4H5NO2	7	C1	1244.240934
dsgdb9nsd_003286	C4H4O3	7	C1	1174.54811
dsgdb9nsd_003288	C6H10O	7	C1	1686.621917
dsgdb9nsd_003289	C6H10O	7	C1	1685.73918
dsgdb9nsd_003290	C6H10O	7	C1	1688.866506
dsgdb9nsd_003291	C5H8O2	7	C1	1487.652108
dsgdb9nsd_003292	C5H9NO	7	C1	1546.089282
dsgdb9nsd_003293	C6H10O	7	C1	1691.644591
dsgdb9nsd_003294	C5H8O2	7	C1	1488.284029
dsgdb9nsd_003295	C5H8O2	7	C1	1490.786512
dsgdb9nsd_003296	C5H9NO	7	C1	1553.262518
dsgdb9nsd_003297	C7H8	7	C1	1581.625258
dsgdb9nsd_003298	C6H7N	7	C1	1445.741069
dsgdb9nsd_003300	C6H6O	7	C1	1379.495286
dsgdb9nsd_003301	C6H6O	7	C1	1374.038043
dsgdb9nsd_003302	C6H7N	7	C1	1492.480292
dsgdb9nsd_003303	C5H6N2	7	C1	1355.100653
dsgdb9nsd_003304	C5H6N2	7	C1	1357.874823
dsgdb9nsd_003305	C5H5NO	7	C1	1289.379908
dsgdb9nsd_003306	C5H6N2	7	C1	1355.596154
dsgdb9nsd_003307	C5H6N2	7	C1	1352.668941
dsgdb9nsd_003308	C5H5NO	7	C1	1282.579129
dsgdb9nsd_003309	C6H8O	7	C1	1554.153613
dsgdb9nsd_003310	C5H7NO	7	C1	1417.933111
dsgdb9nsd_003311	C5H7NO	7	C1	1420.203647
dsgdb9nsd_003312	C5H6O2	7	C1	1351.974953
dsgdb9nsd_003313	C5H7NO	7	C1	1418.028944
dsgdb9nsd_003314	C5H6O2	7	C1	1346.135419
dsgdb9nsd_003315	C5H7NO	7	C1	1432.117875
dsgdb9nsd_003316	C5H7NO	7	C1	1418.637741
dsgdb9nsd_003317	C7H12	7	C1	1884.214467
dsgdb9nsd_003318	C6H10O	7	C1	1684.018988
dsgdb9nsd_003319	C6H10O	7	C1	1681.051
dsgdb9nsd_003320	C6H10O	7	C1	1680.2992
dsgdb9nsd_003321	C5H9NO	7	C1	1544.686823
dsgdb9nsd_003322	C5H8O2	7	C1	1476.971765
dsgdb9nsd_003323	C5H9NO	7	C1	1544.187903
dsgdb9nsd_003324	C6H10O	7	C1	1686.886851
dsgdb9nsd_003325	C5H9NO	7	C1	1553.226468
dsgdb9nsd_003326	C5H9NO	7	C1	1554.278061
dsgdb9nsd_003327	C5H8O2	7	C1	1486.673444
dsgdb9nsd_003328	C5H9NO	7	C1	1551.370056
dsgdb9nsd_003329	C5H8O2	7	C1	1484.225668
dsgdb9nsd_003330	C7H10	7	CS	1765.6098
dsgdb9nsd_003331	C5H7NO	7	C1	1441.078045
dsgdb9nsd_003332	C6H8O	7	CS	1568.680791
dsgdb9nsd_003334	C5H7NO	7	C1	1442.612701
dsgdb9nsd_003335	C6H8O	7	C1	1557.105299
dsgdb9nsd_003336	C6H9N	7	C1	1632.019316
dsgdb9nsd_003337	C6H8O	7	C1	1567.591924
dsgdb9nsd_003338	C7H12	7	C1	1907.28759
dsgdb9nsd_003339	C6H10O	7	C1	1700.049572
dsgdb9nsd_003340	C6H10O	7	C1	1703.623797
dsgdb9nsd_003341	C5H9NO	7	C1	1562.642229
dsgdb9nsd_003342	C5H8O2	7	C1	1499.52664
dsgdb9nsd_003343	C5H8O2	7	C1	1493.370822
dsgdb9nsd_003344	C5H9NO	7	C1	1572.175209
dsgdb9nsd_003345	C5H8O2	7	C1	1506.377349
dsgdb9nsd_003346	C6H10O	7	C1	1712.020878
dsgdb9nsd_003347	C7H10	7	C1	1752.98648
dsgdb9nsd_003348	C6H8O	7	C1	1548.448347
dsgdb9nsd_003349	C5H7NO	7	C1	1430.983846
dsgdb9nsd_003350	C6H8O	7	C1	1546.972708
dsgdb9nsd_003351	C7H10	7	C1	1765.205051
dsgdb9nsd_003352	C5H7NO	7	C1	1448.928986
dsgdb9nsd_003353	C6H8O	7	C1	1564.242278
dsgdb9nsd_003354	C6H8O	7	C1	1565.205066
dsgdb9nsd_003355	C7H12	7	CS	1908.876444
dsgdb9nsd_003356	C6H10O	7	C1	1706.100759
dsgdb9nsd_003357	C6H10O	7	C1	1707.564996
dsgdb9nsd_003358	C5H8O2	7	C1	1508.231094
dsgdb9nsd_003359	C6H10O	7	C1	1706.828582
dsgdb9nsd_003360	C5H8O2	7	C1	1508.068173
dsgdb9nsd_003361	C5H8O2	7	C1	1502.682567
dsgdb9nsd_003362	C7H10	7	C1	1762.502455
dsgdb9nsd_003363	C5H7NO	7	C1	1442.610072
dsgdb9nsd_003364	C6H8O	7	C1	1566.332048
dsgdb9nsd_003365	C4H5NO2	7	C1	1243.987145
dsgdb9nsd_003366	C7H12	7	C1	1904.54314
dsgdb9nsd_003367	C6H10O	7	C1	1700.098687
dsgdb9nsd_003368	C6H10O	7	C1	1703.538613
dsgdb9nsd_003369	C5H8O2	7	C1	1497.594306
dsgdb9nsd_003370	C5H9NO	7	CS	1563.941557
dsgdb9nsd_003371	C6H10O	7	C1	1709.25129
dsgdb9nsd_003372	C5H8O2	7	C1	1504.210898
dsgdb9nsd_003373	C5H8O2	7	CS	1508.135016
dsgdb9nsd_003374	C4H6O3	7	C1	1298.665254
dsgdb9nsd_003375	C7H8	7	C1	1582.166936
dsgdb9nsd_003376	C6H7N	7	C1	1445.938684
dsgdb9nsd_003377	C6H6O	7	C1	1374.536436
dsgdb9nsd_003378	C6H7N	7	CS	1492.981063
dsgdb9nsd_003379	C5H6N2	7	C1	1355.14776
dsgdb9nsd_003380	C5H5NO	7	C1	1284.38679
dsgdb9nsd_003381	C6H8O	7	C1	1553.434299
dsgdb9nsd_003382	C5H7NO	7	C1	1415.784192
dsgdb9nsd_003383	C5H6O2	7	C1	1347.017107
dsgdb9nsd_003384	C5H7NO	7	C1	1425.898107
dsgdb9nsd_003385	C7H12	7	C1	1883.510132
dsgdb9nsd_003386	C6H10O	7	C1	1678.125181
dsgdb9nsd_003387	C6H10O	7	C1	1678.142105
dsgdb9nsd_003388	C5H8O2	7	C1	1470.911522
dsgdb9nsd_003389	C6H10O	7	C1	1686.629905
dsgdb9nsd_003390	C5H9NO	7	C1	1550.035425
dsgdb9nsd_003391	C5H8O2	7	C1	1481.332548
dsgdb9nsd_003392	C6H8O	7	C1	1562.902828
dsgdb9nsd_003393	C5H7NO	7	C1	1434.602888
dsgdb9nsd_003394	C5H7NO	7	C1	1425.642629
dsgdb9nsd_003395	C5H7NO	7	C1	1441.932211
dsgdb9nsd_003396	C5H7NO	7	C1	1427.037577
dsgdb9nsd_003397	C5H6O2	7	C1	1373.34371
dsgdb9nsd_003398	C5H7NO	7	C1	1420.850609
dsgdb9nsd_003399	C5H6O2	7	C1	1366.807056
dsgdb9nsd_003400	C4H5NO2	7	C1	1243.568947
dsgdb9nsd_003401	C4H5NO2	7	C1	1229.060777
dsgdb9nsd_003402	C4H4O3	7	C1	1175.272407
dsgdb9nsd_003403	C5H9NO	7	C1	1554.462022
dsgdb9nsd_003404	C7H12	7	C1	1883.079616
dsgdb9nsd_003405	C6H10O	7	C1	1689.810317
dsgdb9nsd_003406	C6H10O	7	C1	1680.951069
dsgdb9nsd_003407	C6H10O	7	C1	1688.354389
dsgdb9nsd_003408	C5H8O2	7	C1	1485.613424
dsgdb9nsd_003409	C5H9NO	7	C1	1549.954715
dsgdb9nsd_003410	C5H8O2	7	C1	1497.709046
dsgdb9nsd_003411	C6H6O	7	C1	1440.955643
dsgdb9nsd_003412	C5H5NO	7	C1	1310.537658
dsgdb9nsd_003413	C5H5NO	7	C1	1303.992094
dsgdb9nsd_003414	C5H4O2	7	C1	1233.285924
dsgdb9nsd_003415	C5H7NO	7	C1	1452.075689
dsgdb9nsd_003416	C4H6N2O	7	C1	1315.700342
dsgdb9nsd_003417	C4H6N2O	7	C1	1317.51936
dsgdb9nsd_003418	C4H5NO2	7	C1	1248.477176
dsgdb9nsd_003419	C6H8O	7	C1	1584.655902
dsgdb9nsd_003420	C5H7NO	7	C1	1452.14341
dsgdb9nsd_003421	C5H7NO	7	C1	1451.320732
dsgdb9nsd_003422	C5H6O2	7	C1	1382.439253
dsgdb9nsd_003423	C5H7NO	7	C1	1445.580351
dsgdb9nsd_003424	C5H6O2	7	C1	1375.2824
dsgdb9nsd_003425	C5H7NO	7	C1	1468.579427
dsgdb9nsd_003426	C4H6N2O	7	C1	1334.568781
dsgdb9nsd_003427	C4H6N2O	7	C1	1333.948456
dsgdb9nsd_003428	C4H5NO2	7	C1	1264.6304
dsgdb9nsd_003429	C5H6O2	7	C1	1396.990941
dsgdb9nsd_003430	C4H5NO2	7	C1	1262.228224
dsgdb9nsd_003431	C4H5NO2	7	C1	1261.517419
dsgdb9nsd_003432	C4H4O3	7	C1	1191.645466
dsgdb9nsd_003433	C7H10	7	C1	1765.337995
dsgdb9nsd_003434	C6H9N	7	C1	1632.294071
dsgdb9nsd_003435	C6H8O	7	C1	1564.63215
dsgdb9nsd_003436	C4H6N2O	7	C1	1320.596391
dsgdb9nsd_003437	C7H10	7	C1	1762.5997
dsgdb9nsd_003438	C6H9N	7	C1	1629.79785
dsgdb9nsd_003439	C6H8O	7	C1	1562.196145
dsgdb9nsd_003440	C6H8O	7	C1	1566.720426
dsgdb9nsd_003441	C5H7NO	7	C1	1435.314389
dsgdb9nsd_003442	C5H6O2	7	C1	1365.969683
dsgdb9nsd_003443	C7H12	7	C1	1908.31173
dsgdb9nsd_003444	C6H10O	7	C1	1710.903152
dsgdb9nsd_003447	C5H9NO	7	C1	1574.447528
dsgdb9nsd_003448	C5H8O2	7	C1	1506.709565
dsgdb9nsd_003449	C6H10O	7	C1	1713.012594
dsgdb9nsd_003451	C5H8O2	7	C1	1515.088267
dsgdb9nsd_003452	C5H9NO	7	C1	1574.431106
dsgdb9nsd_003453	C5H8O2	7	C1	1505.61741
dsgdb9nsd_003455	C5H5NO	7	C1	1287.449143
dsgdb9nsd_003456	C5H4O2	7	C1	1216.11968
dsgdb9nsd_003457	C6H8O	7	CS	1575.217419
dsgdb9nsd_003458	C5H6O2	7	C1	1365.535973
dsgdb9nsd_003459	C5H7NO	7	C1	1441.037207
dsgdb9nsd_003460	C5H6O2	7	CS	1369.5874
dsgdb9nsd_003461	C7H10	7	C1	1743.921246
dsgdb9nsd_003463	C6H9N	7	CS	1599.456329
dsgdb9nsd_003464	C6H8O	7	C1	1550.52994
dsgdb9nsd_003465	C5H7NO	7	C1	1420.742395
dsgdb9nsd_003466	C5H6O2	7	C1	1348.615456
dsgdb9nsd_003467	C7H12	7	C1	1901.418808
dsgdb9nsd_003468	C6H10O	7	C1	1696.137195
dsgdb9nsd_003469	C6H10O	7	C1	1701.269294
dsgdb9nsd_003470	C6H10O	7	C1	1705.086189
dsgdb9nsd_003471	C5H8O2	7	C1	1500.22657
dsgdb9nsd_003472	C5H8O2	7	C1	1507.510443
dsgdb9nsd_003473	C7H10	7	C1	1733.76119
dsgdb9nsd_003474	C6H9N	7	C1	1601.010877
dsgdb9nsd_003475	C6H8O	7	C1	1527.168628
dsgdb9nsd_003476	C6H9N	7	C1	1594.014874
dsgdb9nsd_003477	C6H8O	7	C1	1534.486524
dsgdb9nsd_003478	C5H6O2	7	C1	1328.126348
dsgdb9nsd_003479	C6H7N	7	C1	1423.656888
dsgdb9nsd_003480	C6H7N	7	C1	1421.377993
dsgdb9nsd_003481	C7H8	7	CS	1552.595582
dsgdb9nsd_003482	C6H7N	7	C1	1423.671434
dsgdb9nsd_003483	C5H5NO	7	C1	1222.77861
dsgdb9nsd_003484	C6H6O	7	C1	1354.831075
dsgdb9nsd_003485	C7H10	7	C2	1747.363067
dsgdb9nsd_003486	C6H8O	7	C1	1546.424874
dsgdb9nsd_003487	C5H7NO	7	C1	1411.208367
dsgdb9nsd_003488	C5H6O2	7	C2	1344.006241
dsgdb9nsd_003489	C6H8O	7	C2	1544.766197
dsgdb9nsd_003490	C7H10	7	C1	1777.917194
dsgdb9nsd_003491	C6H9N	7	CS	1644.091958
dsgdb9nsd_003492	C6H8O	7	CS	1573.224229
dsgdb9nsd_003493	C5H6O2	7	CS	1371.048795
dsgdb9nsd_003494	C7H8	7	C1	1570.646822
dsgdb9nsd_003495	C6H6O	7	C1	1361.899499
dsgdb9nsd_003496	C6H7N	7	C1	1425.864511
dsgdb9nsd_003497	C6H7N	7	C1	1481.346472
dsgdb9nsd_003498	C5H6N2	7	CS	1343.166571
dsgdb9nsd_003499	C5H5NO	7	CS	1271.199885
dsgdb9nsd_003500	C5H6N2	7	C1	1334.930145
dsgdb9nsd_003501	C6H8O	7	C1	1540.881838
dsgdb9nsd_003502	C5H6O2	7	C1	1331.710544
dsgdb9nsd_003503	C5H7NO	7	C1	1395.224232
dsgdb9nsd_003504	C5H7NO	7	C1	1413.038348
dsgdb9nsd_003505	C7H12	7	C1	1871.752298
dsgdb9nsd_003506	C6H10O	7	C1	1663.947143
dsgdb9nsd_003507	C6H10O	7	C1	1668.833171
dsgdb9nsd_003508	C5H8O2	7	C1	1460.222764
dsgdb9nsd_003509	C6H10O	7	C1	1673.97883
dsgdb9nsd_003510	C5H8O2	7	C1	1465.709826
dsgdb9nsd_003511	C5H9NO	7	C1	1532.651486
dsgdb9nsd_003512	C7H12	7	C1	1885.120867
dsgdb9nsd_003513	C6H10O	7	C1	1685.398405
dsgdb9nsd_003514	C6H10O	7	C1	1682.164673
dsgdb9nsd_003515	C6H11N	7	C1	1747.082746
dsgdb9nsd_003516	C5H9NO	7	C1	1543.143865
dsgdb9nsd_003517	C5H9NO	7	C1	1552.342439
dsgdb9nsd_003518	C6H10O	7	C1	1684.758684
dsgdb9nsd_003519	C5H8O2	7	C1	1484.85206
dsgdb9nsd_003520	C5H8O2	7	C1	1481.321071
dsgdb9nsd_003521	C7H10	7	C2V	1716.865427
dsgdb9nsd_003522	C6H8O	7	CS	1507.430592
dsgdb9nsd_003523	C5H7NO	7	C1	1375.758454
dsgdb9nsd_003524	C6H8O	7	CS	1519.908995
dsgdb9nsd_003525	C5H6O2	7	CS	1307.979233
dsgdb9nsd_003526	C7H10	7	C1	1716.755939
dsgdb9nsd_003527	C6H9N	7	C1	1579.509295
dsgdb9nsd_003528	C6H9N	7	C1	1577.87917
dsgdb9nsd_003529	C6H8O	7	C1	1510.154442
dsgdb9nsd_003530	C6H9N	7	C1	1574.329098
dsgdb9nsd_003531	C5H8N2	7	C1	1437.187838
dsgdb9nsd_003532	C5H7NO	7	CS	1365.918032
dsgdb9nsd_003533	C6H8O	7	CS	1522.509677
dsgdb9nsd_003534	C5H7NO	7	C1	1381.834786
dsgdb9nsd_003536	C7H8	7	C2V	1590.514363
dsgdb9nsd_003537	C6H7N	7	CS	1449.8342
dsgdb9nsd_003538	C6H6O	7	C2V	1381.619079
dsgdb9nsd_003539	C7H10	7	C2V	1745.906203
dsgdb9nsd_003540	C6H8O	7	CS	1543.591643
dsgdb9nsd_003541	C6H8O	7	C2V	1536.767251
dsgdb9nsd_003542	C5H6O2	7	CS	1332.6872
dsgdb9nsd_003543	C5H5NO	7	C1	1271.625292
dsgdb9nsd_003545	C5H5NO	7	C1	1279.588513
dsgdb9nsd_003546	C5H5NO	7	C1	1273.695465
dsgdb9nsd_003547	C5H4O2	7	C1	1198.495285
dsgdb9nsd_003548	C5H5NO	7	C1	1279.632276
dsgdb9nsd_003549	C6H9N	7	C1	1597.676474
dsgdb9nsd_003550	C7H10	7	C1	1732.464924
dsgdb9nsd_003551	C6H9N	7	C1	1605.662906
dsgdb9nsd_003552	C6H9N	7	C1	1591.789776
dsgdb9nsd_003553	C6H8O	7	C1	1526.450675
dsgdb9nsd_003554	C6H9N	7	C1	1599.179114
dsgdb9nsd_003555	C6H9N	7	C1	1591.555144
dsgdb9nsd_003556	C5H7NO	7	C1	1400.020576
dsgdb9nsd_003557	C6H8O	7	C1	1539.920198
dsgdb9nsd_003558	C5H7NO	7	C1	1411.765194
dsgdb9nsd_003559	C5H6O2	7	C1	1335.815573
dsgdb9nsd_003560	C7H10	7	CS	1741.532769
dsgdb9nsd_003561	C6H8O	7	CS	1541.409046
dsgdb9nsd_003562	C6H9N	7	C1	1606.095285
dsgdb9nsd_003563	C6H8O	7	CS	1542.133462
dsgdb9nsd_003564	C5H7NO	7	CS	1405.55659
dsgdb9nsd_003565	C5H6O2	7	CS	1336.503681
dsgdb9nsd_003566	C7H10	7	CS	1727.791403
dsgdb9nsd_003567	C6H8O	7	C1	1528.189673
dsgdb9nsd_003568	C5H7NO	7	C1	1391.855755
dsgdb9nsd_003569	C6H8O	7	C1	1528.345258
dsgdb9nsd_003570	C5H7NO	7	C1	1393.004743
dsgdb9nsd_003571	C5H6O2	7	C1	1325.187081
dsgdb9nsd_003573	C6H9N	7	C1	1574.861138
dsgdb9nsd_003574	C6H9N	7	C1	1575.264464
dsgdb9nsd_003575	C6H9N	7	C1	1577.845172
dsgdb9nsd_003576	C6H8O	7	C1	1511.84221
dsgdb9nsd_003577	C6H9N	7	C1	1569.642537
dsgdb9nsd_003578	C5H8N2	7	C1	1437.722463
dsgdb9nsd_003579	C5H7NO	7	C1	1371.166572
dsgdb9nsd_003580	C6H8O	7	C1	1516.044371
dsgdb9nsd_003582	C5H7NO	7	C1	1388.87922
dsgdb9nsd_003583	C5H6O2	7	CS	1320.265693
dsgdb9nsd_003584	C5H8N2	7	C1	1485.128265
dsgdb9nsd_003585	C5H7NO	7	C1	1417.94792
dsgdb9nsd_003586	C7H10	7	CS	1751.091207
dsgdb9nsd_003587	C6H8O	7	C1	1555.314958
dsgdb9nsd_003588	C5H8N2	7	CS	1486.321248
dsgdb9nsd_003589	C5H7NO	7	C1	1419.638675
dsgdb9nsd_003590	C5H6O2	7	CS	1352.091438
dsgdb9nsd_003591	C6H8O	7	C1	1544.681859
dsgdb9nsd_003592	C7H12	7	C1	1882.665868
dsgdb9nsd_003593	C6H10O	7	C1	1683.920244
dsgdb9nsd_003594	C6H11N	7	C1	1745.211431
dsgdb9nsd_003595	C6H11N	7	C1	1745.243371
dsgdb9nsd_003596	C5H10N2	7	C1	1623.32743
dsgdb9nsd_003597	C5H9NO	7	C1	1552.277103
dsgdb9nsd_003598	C6H10O	7	C1	1686.083131
dsgdb9nsd_003599	C5H9NO	7	C1	1554.76071
dsgdb9nsd_003600	C5H8O2	7	C1	1484.227726
dsgdb9nsd_003601	C6H11N	7	C1	1743.147238
dsgdb9nsd_003602	C5H10N2	7	C1	1610.540563
dsgdb9nsd_003603	C5H9NO	7	C1	1541.941042
dsgdb9nsd_003604	C6H10O	7	C1	1685.205954
dsgdb9nsd_003605	C5H8O2	7	C1	1486.947289
dsgdb9nsd_003606	C5H9NO	7	C1	1548.558808
dsgdb9nsd_003607	C7H10	7	C1	1738.234793
dsgdb9nsd_003608	C6H9N	7	C1	1606.556448
dsgdb9nsd_003609	C6H8O	7	CS	1538.19786
dsgdb9nsd_003610	C5H7NO	7	CS	1397.596852
dsgdb9nsd_003611	C7H8	7	C1	1606.226774
dsgdb9nsd_003612	C6H6O	7	C1	1399.946963
dsgdb9nsd_003613	C7H8	7	C1	1560.562311
dsgdb9nsd_003614	C5H5NO	7	C1	1216.009062
dsgdb9nsd_003615	C7H10	7	C1	1754.879338
dsgdb9nsd_003616	C6H8O	7	C1	1552.162871
dsgdb9nsd_003617	C6H8O	7	C1	1550.019417
dsgdb9nsd_003618	C5H7NO	7	C1	1415.371573
dsgdb9nsd_003619	C6H8O	7	C1	1550.461849
dsgdb9nsd_003620	C5H6O2	7	C1	1342.095833
dsgdb9nsd_003621	C6H7N	7	CS	1447.889667
dsgdb9nsd_003622	C6H7N	7	C1	1445.672745
dsgdb9nsd_003623	C7H8	7	C1	1577.892022
dsgdb9nsd_003624	C6H7N	7	C1	1439.69322
dsgdb9nsd_003625	C6H7N	7	C1	1444.01986
dsgdb9nsd_003626	C5H5NO	7	CS	1245.584928
dsgdb9nsd_003627	C6H6O	7	CS	1377.423419
dsgdb9nsd_003628	C7H8	7	C1	1597.931368
dsgdb9nsd_003629	C6H7N	7	C1	1464.495978
dsgdb9nsd_003630	C6H7N	7	C1	1466.08246
dsgdb9nsd_003631	C6H6O	7	C2	1392.41164
dsgdb9nsd_003632	C5H4N2	7	CS	1229.388644
dsgdb9nsd_003633	C5H3NO	7	CS	1138.437342
dsgdb9nsd_003634	C4H3N3	7	CS	1091.447511
dsgdb9nsd_003635	C4H2N2O	7	C1	1003.686755
dsgdb9nsd_003636	C5H4N2	7	CS	1229.625422
dsgdb9nsd_003637	C4H3N3	7	C1	1090.993871
dsgdb9nsd_003638	C5H3NO	7	CS	1138.897821
dsgdb9nsd_003639	C4H2N2O	7	C1	1003.64598
dsgdb9nsd_003640	C4H2N2O	7	C1	1017.766261
dsgdb9nsd_003641	C5H4N2	7	CS	1228.67905
dsgdb9nsd_003642	C4H3N3	7	CS	1107.071399
dsgdb9nsd_003643	C4H3N3	7	CS	1094.841471
dsgdb9nsd_003644	C3H2N4	7	C1	957.8430196
dsgdb9nsd_003646	C4H2N2O	7	C1	1017.691964
dsgdb9nsd_003647	C4H2N2O	7	CS	992.3837843
dsgdb9nsd_003648	C3HN3O	7	C1	858.3560382
dsgdb9nsd_003650	C4H5N3	7	C1	1226.340774
dsgdb9nsd_003651	C4H5N3	7	C1	1242.975455
dsgdb9nsd_003652	C5H8N2	7	C1	1534.218848
dsgdb9nsd_003653	C5H7NO	7	C1	1447.576873
dsgdb9nsd_003654	C4H7N3	7	C1	1399.510856
dsgdb9nsd_003655	C4H6N2O	7	C1	1315.771684
dsgdb9nsd_003656	C4H7N3	7	C1	1404.922285
dsgdb9nsd_003657	C4H6N2O	7	C1	1317.347197
dsgdb9nsd_003658	C3H6N4	7	C1	1272.464141
dsgdb9nsd_003659	C3H5N3O	7	C1	1187.588737
dsgdb9nsd_003660	C4H7N3	7	C1	1406.306771
dsgdb9nsd_003661	C3H6N4	7	C1	1270.559179
dsgdb9nsd_003662	C4H6N2O	7	C1	1321.378839
dsgdb9nsd_003663	C3H5N3O	7	C1	1188.611985
dsgdb9nsd_003664	C4H6N2O	7	C1	1334.941151
dsgdb9nsd_003665	C3H5N3O	7	C1	1204.235359
dsgdb9nsd_003666	C3H4N2O2	7	C1	1117.673756
dsgdb9nsd_003667	C4H6N2O	7	C1	1336.656185
dsgdb9nsd_003668	C5H8N2	7	C1	1536.463556
dsgdb9nsd_003669	C5H7NO	7	C1	1450.304675
dsgdb9nsd_003670	C4H7N3	7	C1	1410.822706
dsgdb9nsd_003671	C4H6N2O	7	C1	1324.95152
dsgdb9nsd_003672	C4H6N2O	7	C1	1342.998455
dsgdb9nsd_003673	C4H5NO2	7	C1	1256.194507
dsgdb9nsd_003674	C4H5N3	7	C1	1258.067065
dsgdb9nsd_003675	C4H5N3	7	C1	1258.955631
dsgdb9nsd_003676	C3H4N4	7	C1	1094.645349
dsgdb9nsd_003677	C5H8N2	7	C1	1535.007514
dsgdb9nsd_003678	C4H7N3	7	C1	1409.352508
dsgdb9nsd_003679	C4H6N2O	7	C1	1341.3313
dsgdb9nsd_003680	C5H7NO	7	C1	1447.165001
dsgdb9nsd_003681	C4H6N2O	7	C1	1321.863646
dsgdb9nsd_003682	C4H5NO2	7	C1	1252.972459
dsgdb9nsd_003683	C4H7N3	7	C1	1420.224424
dsgdb9nsd_003684	C4H6N2O	7	C1	1334.933916
dsgdb9nsd_003685	C3H6N4	7	C1	1296.308981
dsgdb9nsd_003686	C3H5N3O	7	C1	1211.012029
dsgdb9nsd_003687	C3H5N3O	7	CS	1226.839745
dsgdb9nsd_003688	C3H4N2O2	7	C1	1139.938483
dsgdb9nsd_003689	C4H5N3	7	C1	1258.987678
dsgdb9nsd_003690	C3H4N4	7	C1	1115.942871
dsgdb9nsd_003691	C4H7N3	7	C1	1414.183955
dsgdb9nsd_003692	C4H6N2O	7	C2V	1341.400929
dsgdb9nsd_003693	C3H5N3O	7	C1	1234.257415
dsgdb9nsd_003694	C3H4N2O2	7	C1	1160.65788
dsgdb9nsd_003695	C4H7N3	7	C1	1408.562273
dsgdb9nsd_003696	C3H6N4	7	C1	1295.328805
dsgdb9nsd_003697	C4H6N2O	7	C1	1339.288851
dsgdb9nsd_003698	C3H5N3O	7	C1	1227.453694
dsgdb9nsd_003699	C4H7N3	7	C1	1405.429538
dsgdb9nsd_003700	C4H6N2O	7	C1	1335.295456
dsgdb9nsd_003702	C3H6N4	7	C1	1277.467205
dsgdb9nsd_003703	C3H5N3O	7	C1	1208.39586
dsgdb9nsd_003704	C3H4N2O2	7	C1	1126.4524
dsgdb9nsd_003705	C3H4N2O2	7	C1	1149.372222
dsgdb9nsd_003706	C3H3NO3	7	C1	1075.049081
dsgdb9nsd_003707	C4H6N2O	7	C1	1324.805116
dsgdb9nsd_003708	C3H5N3O	7	C1	1212.72299
dsgdb9nsd_003709	C4H6N2O	7	C1	1317.345936
dsgdb9nsd_003710	C4H6N2O	7	CS	1305.189746
dsgdb9nsd_003711	C3H5N3O	7	C1	1179.028974
dsgdb9nsd_003712	C5H8N2	7	C1	1532.458652
dsgdb9nsd_003713	C5H7NO	7	C1	1445.350808
dsgdb9nsd_003714	C4H7N3	7	C1	1395.5647
dsgdb9nsd_003715	C4H6N2O	7	C1	1311.623865
dsgdb9nsd_003716	C5H8N2	7	C1	1530.683321
dsgdb9nsd_003717	C4H7N3	7	C1	1395.960727
dsgdb9nsd_003718	C5H7NO	7	C1	1441.797429
dsgdb9nsd_003719	C4H6N2O	7	C1	1309.889284
dsgdb9nsd_003720	C4H7N3	7	C1	1414.971178
dsgdb9nsd_003721	C4H6N2O	7	C1	1328.309706
dsgdb9nsd_003722	C5H8N2	7	C1	1532.851937
dsgdb9nsd_003723	C4H7N3	7	C1	1414.717626
dsgdb9nsd_003725	C3H6N4	7	C1	1266.457519
dsgdb9nsd_003726	C5H7NO	7	C1	1444.420701
dsgdb9nsd_003727	C4H6N2O	7	C1	1327.5721
dsgdb9nsd_003728	C4H6N2O	7	C1	1299.781625
dsgdb9nsd_003729	C3H5N3O	7	C1	1168.991802
dsgdb9nsd_003730	C5H8N2	7	C1	1529.28021
dsgdb9nsd_003731	C4H7N3	7	C1	1392.70721
dsgdb9nsd_003732	C4H7N3	7	C1	1410.06
dsgdb9nsd_003733	C4H7N3	7	C1	1401.429736
dsgdb9nsd_003735	C4H7N3	7	C1	1397.65905
dsgdb9nsd_003736	C3H6N4	7	C1	1263.627445
dsgdb9nsd_003737	C2H5N5	7	C1	1117.52956
dsgdb9nsd_003738	C5H8N2	7	C1	1528.386605
dsgdb9nsd_003739	C4H7N3	7	C1	1394.302377
dsgdb9nsd_003740	C4H7N3	7	C1	1398.698821
dsgdb9nsd_003741	C3H6N4	7	C1	1267.459734
dsgdb9nsd_003742	C4H6N2O	7	C1	1328.785396
dsgdb9nsd_003743	C3H5N3O	7	C1	1199.253887
dsgdb9nsd_003744	C5H8N2	7	C1	1530.691027
dsgdb9nsd_003745	C4H7N3	7	C1	1404.972467
dsgdb9nsd_003746	C4H6N2O	7	C1	1337.038276
dsgdb9nsd_003747	C4H7N3	7	C1	1413.098256
dsgdb9nsd_003748	C3H6N4	7	C1	1289.186516
dsgdb9nsd_003749	C3H5N3O	7	C1	1219.800324
dsgdb9nsd_003750	C3H5N3O	7	C1	1225.610692
dsgdb9nsd_003751	C3H5N3O	7	C1	1191.596703
dsgdb9nsd_003752	C3H4N2O2	7	C1	1139.800362
dsgdb9nsd_003753	C4H7N3	7	C1	1398.872622
dsgdb9nsd_003754	C3H6N4	7	C1	1272.270397
dsgdb9nsd_003755	C3H5N3O	7	C1	1203.315417
dsgdb9nsd_003756	C5H8N2	7	C1	1530.504431
dsgdb9nsd_003757	C4H7N3	7	C1	1402.843546
dsgdb9nsd_003758	C4H6N2O	7	C1	1333.396581
dsgdb9nsd_003760	C3H6N4	7	C1	1288.29672
dsgdb9nsd_003761	C3H5N3O	7	C1	1220.507339
dsgdb9nsd_003762	C3H5N3O	7	C1	1226.716031
dsgdb9nsd_003763	C3H5N3O	7	C1	1201.682161
dsgdb9nsd_003764	C3H4N2O2	7	C1	1151.823381
dsgdb9nsd_003765	C3H6N4	7	C1	1266.75285
dsgdb9nsd_003766	C2H5N5	7	C1	1142.042604
dsgdb9nsd_003767	C2H4N4O	7	C1	1071.754198
dsgdb9nsd_003768	C4H7N3	7	C1	1394.592443
dsgdb9nsd_003769	C3H6N4	7	C1	1265.93737
dsgdb9nsd_003770	C3H5N3O	7	C1	1195.563523
dsgdb9nsd_003771	C2H5N5	7	C1	1127.052713
dsgdb9nsd_003772	C2H4N4O	7	C1	1077.590971
dsgdb9nsd_003773	C2H4N4O	7	C1	1045.95316
dsgdb9nsd_003774	C2H3N3O2	7	C1	993.5080554
dsgdb9nsd_003776	C2H5N5	7	C1	1120.594492
dsgdb9nsd_003778	C2H3N3O2	7	C1	953.3067095
dsgdb9nsd_003779	C4H7N3	7	C1	1398.220163
dsgdb9nsd_003780	C4H6N2O	7	C1	1312.808759
dsgdb9nsd_003781	C3H6N4	7	C1	1260.534363
dsgdb9nsd_003783	C4H7N3	7	C1	1394.223668
dsgdb9nsd_003784	C3H6N4	7	C1	1262.368084
dsgdb9nsd_003785	C4H6N2O	7	C1	1306.074641
dsgdb9nsd_003786	C3H5N3O	7	C1	1175.43064
dsgdb9nsd_003787	C3H6N4	7	C1	1283.175326
dsgdb9nsd_003788	C3H5N3O	7	C1	1199.777695
dsgdb9nsd_003789	C4H7N3	7	C1	1400.156714
dsgdb9nsd_003790	C3H6N4	7	C1	1284.280132
dsgdb9nsd_003791	C3H6N4	7	C1	1266.370189
dsgdb9nsd_003792	C2H5N5	7	C1	1134.76739
dsgdb9nsd_003793	C4H6N2O	7	C1	1311.860605
dsgdb9nsd_003794	C3H5N3O	7	C1	1197.721126
dsgdb9nsd_003795	C3H5N3O	7	C1	1166.432825
dsgdb9nsd_003796	C2H4N4O	7	C1	1037.951893
dsgdb9nsd_003797	C4H6N2O	7	C1	1322.826629
dsgdb9nsd_003798	C4H5NO2	7	C1	1238.945438
dsgdb9nsd_003800	C4H6N2O	7	C1	1321.140542
dsgdb9nsd_003801	C3H5N3O	7	C1	1189.327754
dsgdb9nsd_003802	C4H5NO2	7	C1	1232.009795
dsgdb9nsd_003803	C3H4N2O2	7	C1	1100.785762
dsgdb9nsd_003804	C3H4N2O2	7	C1	1123.025778
dsgdb9nsd_003805	C4H6N2O	7	C1	1328.614814
dsgdb9nsd_003806	C3H5N3O	7	C1	1210.348745
dsgdb9nsd_003807	C3H5N3O	7	C1	1193.885324
dsgdb9nsd_003808	C2H4N4O	7	C1	1060.412528
dsgdb9nsd_003809	C4H5NO2	7	CS	1240.009719
dsgdb9nsd_003810	C3H4N2O2	7	C1	1122.755497
dsgdb9nsd_003811	C3H4N2O2	7	C1	1093.920143
dsgdb9nsd_003812	C2H3N3O2	7	CS	962.1037526
dsgdb9nsd_003813	C4H3N3	7	CS	1136.069404
dsgdb9nsd_003814	C4H2N2O	7	C1	1043.188685
dsgdb9nsd_003815	C3HN3O	7	C1	907.043283
dsgdb9nsd_003816	C4H3N3	7	C1	1138.624597
dsgdb9nsd_003817	C3H2N4	7	C1	998.1742725
dsgdb9nsd_003818	C4H2N2O	7	C1	1046.030488
dsgdb9nsd_003819	C3HN3O	7	C1	908.9827266
dsgdb9nsd_003820	C3HN3O	7	CS	920.1654793
dsgdb9nsd_003821	C4H3N3	7	CS	1137.026914
dsgdb9nsd_003822	C3H2N4	7	CS	1013.763039
dsgdb9nsd_003823	C3H2N4	7	CS	1001.686675
dsgdb9nsd_003824	C4H2N2O	7	CS	1043.682435
dsgdb9nsd_003826	C3HN3O	7	CS	896.6125691
dsgdb9nsd_003828	C3H4N4	7	C1	1111.047895
dsgdb9nsd_003829	C4H4N2O	7	CS	1162.874168
dsgdb9nsd_003831	C3H4N4	7	C1	1132.923874
dsgdb9nsd_003832	C3H4N4	7	C1	1112.845779
dsgdb9nsd_003833	C2H3N5	7	C1	969.0368918
dsgdb9nsd_003834	C3H3N3O	7	C1	1043.097929
dsgdb9nsd_003835	C3H3N3O	7	CS	1008.493685
dsgdb9nsd_003837	C2H3N5	7	C1	985.4538518
dsgdb9nsd_003838	C2H2N4O	7	C1	971.8660372
dsgdb9nsd_003839	CH2N6	7	C1	823.2011865
dsgdb9nsd_003841	C4H5N3	7	CS	1258.291719
dsgdb9nsd_003842	C3H4N4	7	C1	1130.594766
dsgdb9nsd_003843	C3H4N4	7	CS	1127.851282
dsgdb9nsd_003844	C3H4N4	7	CS	1113.826507
dsgdb9nsd_003845	C2H3N5	7	C1	989.2213059
dsgdb9nsd_003846	C4H4N2O	7	CS	1168.048336
dsgdb9nsd_003847	C3H3N3O	7	C1	1035.047396
dsgdb9nsd_003848	C3H3N3O	7	CS	1037.441363
dsgdb9nsd_003849	C3H3N3O	7	C1	1028.02451
dsgdb9nsd_003850	C2H2N4O	7	C1	897.1096005
dsgdb9nsd_003851	C3H6N4	7	C1	1278.303913
dsgdb9nsd_003852	C3H5N3O	7	C1	1192.771507
dsgdb9nsd_003853	C2H5N5	7	C1	1144.259319
dsgdb9nsd_003855	C3H5N3O	7	C1	1206.889486
dsgdb9nsd_003856	C2H4N4O	7	C1	1075.408274
dsgdb9nsd_003857	C2H3N3O2	7	C1	989.6540678
dsgdb9nsd_003858	C3H5N3O	7	C1	1209.850314
dsgdb9nsd_003859	C2H4N4O	7	C1	1074.730011
dsgdb9nsd_003860	C3H6N4	7	C1	1283.063711
dsgdb9nsd_003861	C3H5N3O	7	C1	1199.619167
dsgdb9nsd_003862	C3H5N3O	7	C1	1215.420339
dsgdb9nsd_003863	C3H4N2O2	7	C1	1131.049685
dsgdb9nsd_003864	C3H4N4	7	C1	1136.705328
dsgdb9nsd_003865	C3H4N4	7	C1	1140.977287
dsgdb9nsd_003866	C2H3N5	7	C1	975.8650548
dsgdb9nsd_003867	C3H6N4	7	C1	1280.056874
dsgdb9nsd_003868	C3H5N3O	7	C1	1211.146127
dsgdb9nsd_003869	C3H5N3O	7	C1	1192.640571
dsgdb9nsd_003870	C3H4N2O2	7	C1	1122.665205
dsgdb9nsd_003871	C2H5N5	7	C1	1171.312565
dsgdb9nsd_003872	C2H4N4O	7	C1	1088.977633
dsgdb9nsd_003873	C2H4N4O	7	C1	1101.730295
dsgdb9nsd_003874	C2H3N3O2	7	C1	1018.101722
dsgdb9nsd_003875	C3H4N4	7	C1	1141.389504
dsgdb9nsd_003876	C2H3N5	7	C1	1001.336387
dsgdb9nsd_003877	C2H5N5	7	CS	1162.290748
dsgdb9nsd_003878	C2H4N4O	7	C2	1090.633982
dsgdb9nsd_003879	C2H4N4O	7	C1	1108.328683
dsgdb9nsd_003880	C2H3N3O2	7	C1	1035.558371
dsgdb9nsd_003881	C3H5N3O	7	C1	1213.809435
dsgdb9nsd_003882	C2H4N4O	7	C1	1103.367424
dsgdb9nsd_003883	C2H5N5	7	C1	1150.912331
dsgdb9nsd_003884	C2H4N4O	7	C1	1080.873116
dsgdb9nsd_003885	C2H4N4O	7	C1	1075.331272
dsgdb9nsd_003886	C2H3N3O2	7	C1	1001.453813
dsgdb9nsd_003887	C2H3N3O2	7	C1	1023.668126
dsgdb9nsd_003888	C2H2N2O3	7	C1	950.1506881
dsgdb9nsd_003890	C3H5N3O	7	C1	1196.996673
dsgdb9nsd_003891	C2H5N5	7	C1	1136.688661
dsgdb9nsd_003892	C2H4N4O	7	C1	1037.153933
dsgdb9nsd_003893	C4H4N2O	7	C1	1197.0471
dsgdb9nsd_003894	C4H3NO2	7	C1	1102.565347
dsgdb9nsd_003896	C3H2N2O2	7	CS	980.6219094
dsgdb9nsd_003897	C3H2N2O2	7	C2V	945.3550284
dsgdb9nsd_003899	C2HN3O2	7	C1	923.4808065
dsgdb9nsd_003901	C4H4N2O	7	CS	1206.427883
dsgdb9nsd_003902	C3H3N3O	7	CS	1075.457288
dsgdb9nsd_003903	C3H3N3O	7	CS	1074.377784
dsgdb9nsd_003904	C3H3N3O	7	CS	1060.976923
dsgdb9nsd_003905	C2H2N4O	7	C1	932.7125882
dsgdb9nsd_003906	C4H3NO2	7	CS	1111.840797
dsgdb9nsd_003907	C3H2N2O2	7	C1	979.7834689
dsgdb9nsd_003908	C3H2N2O2	7	CS	979.3726886
dsgdb9nsd_003909	C3H2N2O2	7	C1	970.9264546
dsgdb9nsd_003911	C4H4N2O	7	C1	1203.948531
dsgdb9nsd_003912	C4H3NO2	7	C1	1109.301078
dsgdb9nsd_003913	C3H2N2O2	7	C1	973.7615049
dsgdb9nsd_003914	C4H4N2O	7	C1	1203.004562
dsgdb9nsd_003915	C3H3N3O	7	C1	1061.865062
dsgdb9nsd_003916	C4H3NO2	7	C1	1110.953486
dsgdb9nsd_003918	C3H2N2O2	7	C1	988.877324
dsgdb9nsd_003919	C4H4N2O	7	C1	1200.009679
dsgdb9nsd_003920	C3H3N3O	7	C1	1065.61098
dsgdb9nsd_003921	C4H3NO2	7	C1	1106.884721
dsgdb9nsd_003922	C3H2N2O2	7	CS	988.2194556
dsgdb9nsd_003923	C3H2N2O2	7	C1	960.8943787
dsgdb9nsd_003924	C2HN3O2	7	C1	828.1389332
dsgdb9nsd_003925	C4H4N2O	7	C1	1202.207518
dsgdb9nsd_003926	C3H3N3O	7	C1	1061.564454
dsgdb9nsd_003927	C3H3N3O	7	CS	1080.267531
dsgdb9nsd_003928	C3H3N3O	7	C1	1075.634133
dsgdb9nsd_003929	C2H2N4O	7	C1	926.7406807
dsgdb9nsd_003930	C3H3N3O	7	C1	1068.685745
dsgdb9nsd_003931	C2H2N4O	7	C1	930.3768221
dsgdb9nsd_003933	C3H4N2O2	7	C1	1136.831495
dsgdb9nsd_003934	C3H3N3O	7	C1	1069.124525
dsgdb9nsd_003935	C3H3N3O	7	C1	1072.445406
dsgdb9nsd_003937	C2H3N3O2	7	C1	1033.390438
dsgdb9nsd_003939	C2H2N4O	7	C1	928.7182706
dsgdb9nsd_003940	C2H3N3O2	7	C1	1026.130373
dsgdb9nsd_003941	C2H4N4O	7	C1	1088.660007
dsgdb9nsd_003942	C2H3N3O2	7	C1	1039.576207
dsgdb9nsd_003943	C2H2N2O3	7	C1	964.502301
dsgdb9nsd_003944	C2H3N3O2	7	C1	1010.113607
dsgdb9nsd_003945	C2H2N2O3	7	CS	929.6740366
dsgdb9nsd_003946	C2HNO4	7	CS	878.2800171
dsgdb9nsd_003947	C4H6N2O	7	C1	1334.309042
dsgdb9nsd_003948	C4H5NO2	7	C1	1245.525754
dsgdb9nsd_003949	C3H5N3O	7	C1	1194.725371
dsgdb9nsd_003950	C3H4N2O2	7	C1	1111.362453
dsgdb9nsd_003951	C4H6N2O	7	C1	1333.192615
dsgdb9nsd_003952	C3H5N3O	7	C1	1197.42156
dsgdb9nsd_003953	C4H5NO2	7	C1	1243.028963
dsgdb9nsd_003954	C3H4N2O2	7	C1	1110.70456
dsgdb9nsd_003956	C3H4N2O2	7	C1	1128.502969
dsgdb9nsd_003957	C4H6N2O	7	C1	1333.831771
dsgdb9nsd_003958	C3H5N3O	7	C1	1216.521066
dsgdb9nsd_003959	C3H5N3O	7	C1	1200.461906
dsgdb9nsd_003960	C4H5NO2	7	C1	1244.757952
dsgdb9nsd_003961	C3H4N2O2	7	C1	1128.061372
dsgdb9nsd_003962	C3H4N2O2	7	C1	1099.957148
dsgdb9nsd_003963	C2H3N3O2	7	C1	968.3546195
dsgdb9nsd_004208	C6H5F	7	C2V	1378.540235
dsgdb9nsd_004209	C5H4FN	7	C2V	1248.787636
dsgdb9nsd_004210	C5H4FN	7	CS	1246.740248
dsgdb9nsd_004211	C4H3FN2	7	CS	1119.741525
dsgdb9nsd_004212	C4H3FN2	7	C2V	1117.34469
dsgdb9nsd_004213	C5H4FN	7	CS	1253.664188
dsgdb9nsd_004214	C4H3FN2	7	C2V	1127.471212
dsgdb9nsd_004215	C4H3FN2	7	CS	1119.741525
dsgdb9nsd_004216	C4H3FN2	7	CS	1126.318659
dsgdb9nsd_004217	C3H2FN3	7	C2V	1002.460677
dsgdb9nsd_004218	C3H2FN3	7	C1	969.0621051
dsgdb9nsd_004219	C3H2FN3	7	CS	972.2746337
dsgdb9nsd_004220	C2HFN4	7	CS	804.8725941
dsgdb9nsd_004221	C3H2FN3	7	C1	972.2477198
dsgdb9nsd_004222	C2HFN4	7	C1	828.5771733
dsgdb9nsd_004223	C4H3F3	7	C1	1040.528591
dsgdb9nsd_004224	C4H3F3	7	C1	1043.487581
dsgdb9nsd_004225	C3H2F3N	7	C1	950.933318
dsgdb9nsd_005337	C8H6	8	C1	1658.814367
dsgdb9nsd_005338	C7H5N	8	C2V	1528.113092
dsgdb9nsd_005339	C7H5N	8	C1	1528.291198
dsgdb9nsd_005340	C6H4N2	8	C1	1394.719382
dsgdb9nsd_005341	C6H4N2	8	CS	1400.152685
dsgdb9nsd_005342	C7H5N	8	C1	1527.291745
dsgdb9nsd_005343	C6H4N2	8	C2V	1397.744216
dsgdb9nsd_005344	C6H4N2	8	C1	1394.720342
dsgdb9nsd_005346	C5H3N3	8	C1	1272.043722
dsgdb9nsd_005348	C6H4N2	8	C2V	1435.435681
dsgdb9nsd_005349	C6H4N2	8	CS	1436.163949
dsgdb9nsd_005350	C5H3N3	8	C1	1301.263658
dsgdb9nsd_005351	C5H3N3	8	CS	1306.823216
dsgdb9nsd_005352	C6H4N2	8	C1	1435.154073
dsgdb9nsd_005353	C5H3N3	8	C1	1304.465707
dsgdb9nsd_005355	C5H3N3	8	C1	1305.256915
dsgdb9nsd_005356	C4H2N4	8	CS	1176.822054
dsgdb9nsd_008605	C7H5N	8	C1	1472.41976
dsgdb9nsd_008606	C6H4N2	8	C1	1378.519948
dsgdb9nsd_008607	C5H3N3	8	C1	1282.31518
dsgdb9nsd_008608	C7H5N	8	C1	1432.302262
dsgdb9nsd_008609	C6H4N2	8	C1	1339.802361
dsgdb9nsd_008610	C5H3N3	8	C1	1245.416718
dsgdb9nsd_008611	C4H2N4	8	C1	1148.243853
dsgdb9nsd_008612	C7H4O	8	C1	1362.3561
dsgdb9nsd_008613	C6H3NO	8	C1	1269.024359
dsgdb9nsd_008614	C5H2N2O	8	C1	1173.523124
dsgdb9nsd_008718	C6H2O2	8	C1	1208.88853
dsgdb9nsd_008719	C5HNO2	8	C1	1111.804314
dsgdb9nsd_008720	C4N2O2	8	C2H	1012.614628
dsgdb9nsd_008959	C7H2O	8	CS	1242.182766
dsgdb9nsd_008961	C6HNO	8	CS	1145.70047
dsgdb9nsd_008962	C5N2O	8	CS	1046.422079
dsgdb9nsd_008974	C6H2O2	8	C1	1207.580298
dsgdb9nsd_008975	C5HNO2	8	C1	1110.156317
dsgdb9nsd_008977	C6H2O2	8	CS	1213.827168
dsgdb9nsd_008978	C5HNO2	8	CS	1112.386329
dsgdb9nsd_009020	C8H6	8	C1	1575.463441
dsgdb9nsd_009021	C7H5N	8	C1	1481.100896
dsgdb9nsd_009022	C7H5N	8	C1	1484.367541
dsgdb9nsd_009023	C6H4N2	8	C1	1388.64413
dsgdb9nsd_009024	C6H4N2	8	C1	1349.478708
dsgdb9nsd_009025	C6H4N2	8	C1	1352.364003
dsgdb9nsd_009026	C5H3N3	8	C1	1256.161494
dsgdb9nsd_009027	C7H4O	8	C1	1374.855449
dsgdb9nsd_009028	C6H3NO	8	C1	1279.57329
dsgdb9nsd_009029	C6H3NO	8	C1	1282.078716
dsgdb9nsd_009030	C5H2N2O	8	C1	1185.232595
dsgdb9nsd_009970	C7H5N	8	C1	1477.952681
dsgdb9nsd_009971	C6H4N2	8	C1	1384.908327
dsgdb9nsd_009973	C7H5N	8	C1	1477.19288
dsgdb9nsd_009974	C6H4N2	8	C1	1383.621845
dsgdb9nsd_010004	C8H6	8	C1	1567.478439
dsgdb9nsd_010005	C7H5N	8	C1	1476.011085
dsgdb9nsd_014563	C7HN	8	C*V	1186.226859
dsgdb9nsd_014565	C8H6	8	C1	1569.685791
dsgdb9nsd_014566	C7H5N	8	C1	1479.199473
dsgdb9nsd_014567	C6H4N2	8	C2	1388.022764
dsgdb9nsd_014569	C8H6	8	C1	1578.091996
dsgdb9nsd_014570	C7H5N	8	C1	1483.850856
dsgdb9nsd_014571	C6H4N2	8	C1	1392.641547
dsgdb9nsd_014582	C7H2O	8	C1	1247.810968
dsgdb9nsd_014584	C6H2O2	8	C1	1212.736575
dsgdb9nsd_014634	C8H6	8	C1	1580.073408
dsgdb9nsd_014635	C7H5N	8	C1	1489.226856
dsgdb9nsd_014638	C7H5N	8	C1	1485.233071
dsgdb9nsd_014656	C8H6	8	C1	1585.192963
dsgdb9nsd_014657	C7H5N	8	C1	1490.100481
dsgdb9nsd_014658	C7H4O	8	C1	1382.945961
dsgdb9nsd_014659	C6H3NO	8	C1	1287.33572
dsgdb9nsd_019631	C7H5N	8	C1	1413.08297
dsgdb9nsd_019632	C7H5N	8	C1	1413.320884
dsgdb9nsd_019633	C8H6	8	C1	1545.193995
dsgdb9nsd_019634	C7H5N	8	C1	1412.62593
dsgdb9nsd_019635	C6H4N2	8	C1	1320.861407
dsgdb9nsd_019636	C6H4N2	8	C1	1321.813075
dsgdb9nsd_019637	C7H5N	8	C1	1454.766274
dsgdb9nsd_019638	C6H4N2	8	C1	1320.34464
dsgdb9nsd_020306	C5H3N3	8	C1	1245.860229
dsgdb9nsd_020307	C5H3N3	8	C1	1246.196279
dsgdb9nsd_020308	C4H2N4	8	C1	1080.917838
dsgdb9nsd_020309	C5H3N3	8	CS	1244.389115
dsgdb9nsd_020310	C4H2N4	8	CS	1100.108315
dsgdb9nsd_021322	C4H2N4	8	C1	1150.861616
dsgdb9nsd_021323	C4H2N4	8	CS	1150.533899
dsgdb9nsd_021324	C3HN5	8	C1	983.7205199
dsgdb9nsd_021325	C4H2N4	8	CS	1149.618551
dsgdb9nsd_021326	C3HN5	8	C1	1003.121231