File_Name	Mol_Formula	Nonhydrogen_Atoms	Point_Group	[W1-F12 all-electron, nonrel. CCSD(T)/CBS (kcal/mol)]
dsgdb9nsd_000018	C3H6O	4	C2	979.6080862
dsgdb9nsd_000019	C2H5NO	4	C1	868.6740954
dsgdb9nsd_000020	CH4N2O	4	C2	753.0954361
dsgdb9nsd_000021	C4H10	4	C1	1304.238636
dsgdb9nsd_000022	C3H8O	4	C1	1109.728695
dsgdb9nsd_000023	C4H2	4	D*H	697.2747575
dsgdb9nsd_000024	C3HN	4	C*V	601.8664937
dsgdb9nsd_000025	C2N2	4	D*H	501.5500703
dsgdb9nsd_000026	C3H2O	4	CS	663.5735377
dsgdb9nsd_000027	C2HNO	4	C1	567.5023227
dsgdb9nsd_000029	C4H6	4	D3	1004.591097
dsgdb9nsd_000030	C4H6	4	C1	999.9244342
dsgdb9nsd_000031	C3H5N	4	C1	910.8710031
dsgdb9nsd_000032	C2H4N2	4	C1	778.2007734
dsgdb9nsd_000033	C3H4O	4	C1	798.3776762
dsgdb9nsd_000034	C2H3NO	4	C1	707.2232617
dsgdb9nsd_000035	C3H6O	4	C1	971.9951535
dsgdb9nsd_000036	C2H5NO	4	C1	857.7486781
dsgdb9nsd_000037	C2H4O2	4	C1	781.3973193
dsgdb9nsd_000038	C2H4O2	4	C1	772.5916668
dsgdb9nsd_000039	C4H10	4	CI	1302.751251
dsgdb9nsd_000040	C3H8O	4	C1	1105.842635
dsgdb9nsd_000041	C3H8O	4	C1	1096.737748
dsgdb9nsd_000042	C2H6O2	4	C1	910.530234
dsgdb9nsd_000043	C4H8	4	C1	1150.73511
dsgdb9nsd_000044	C3H6O	4	C1	951.0405845
dsgdb9nsd_000045	C3H7N	4	CS	1011.023998
dsgdb9nsd_000046	C3H6O	4	C1	951.0966587
dsgdb9nsd_000047	C4H8	4	D2D	1150.789672
dsgdb9nsd_000048	C3H6O	4	C2V	948.4062305
dsgdb9nsd_000049	C3H7NO	5	C1	1116.338007
dsgdb9nsd_000050	C4H5N	5	CS	1073.585089
dsgdb9nsd_000051	C3H4N2	5	C1	951.7617309
dsgdb9nsd_000053	C3H3NO	5	CS	874.7784701
dsgdb9nsd_000054	C5H12	5	C1	1601.5074
dsgdb9nsd_000055	C4H10O	5	C1	1408.306694
dsgdb9nsd_000056	C4H4O	5	C1	966.4891467
dsgdb9nsd_000057	C3H3NO	5	C1	871.8041441
dsgdb9nsd_000058	C2H3N3	5	C1	815.2004466
dsgdb9nsd_000060	C3H4O2	5	C1	938.4983074
dsgdb9nsd_000061	C2H4N2O	5	C1	886.2891718
dsgdb9nsd_000062	C2H3NO2	5	C1	823.1032197
dsgdb9nsd_000063	C5H8	5	C1	1295.875391
dsgdb9nsd_000064	C4H7N	5	C1	1206.821859
dsgdb9nsd_000065	C3H6N2	5	C1	1077.514321
dsgdb9nsd_000066	C4H6O	5	C1	1098.310921
dsgdb9nsd_000067	C3H5NO	5	C1	1007.408251
dsgdb9nsd_000068	C4H8O	5	C1	1268.219892
dsgdb9nsd_000069	C3H6O2	5	C1	1071.623042
dsgdb9nsd_000070	C3H7NO	5	C1	1148.412064
dsgdb9nsd_000071	C3H6O2	5	C1	1079.134607
dsgdb9nsd_000072	C4H8O	5	C1	1274.858842
dsgdb9nsd_000073	C3H7NO	5	C1	1163.722844
dsgdb9nsd_000075	C2H6N2O	5	C1	1041.746756
dsgdb9nsd_000076	C3H7NO	5	C1	1142.312138
dsgdb9nsd_000077	C3H6O2	5	C1	1088.498781
dsgdb9nsd_000078	C2H5NO2	5	C1	973.24578
dsgdb9nsd_000079	C2H5NO2	5	C1	967.886397
dsgdb9nsd_000080	C2H5NO2	5	C1	968.9937128
dsgdb9nsd_000081	C4H10O	5	C1	1402.340642
dsgdb9nsd_000082	C3H8O2	5	C1	1208.991875
dsgdb9nsd_000083	C5H12	5	C1	1598.651573
dsgdb9nsd_000084	C4H10O	5	C1	1404.62359
dsgdb9nsd_000085	C4H10O	5	C1	1394.15569
dsgdb9nsd_000086	C5H10	5	C2V	1448.361398
dsgdb9nsd_000087	C4H8O	5	C1	1250.617052
dsgdb9nsd_000088	C4H8O	5	C1	1252.22999
dsgdb9nsd_000089	C3H5NO	5	CS	995.3021176
dsgdb9nsd_000090	C4H6O	5	CS	1123.774089
dsgdb9nsd_000091	C3H5NO	5	C1	1010.091462
dsgdb9nsd_000092	C3H4O2	5	CS	942.5452479
dsgdb9nsd_000093	C3H5NO	5	CS	987.9337756
dsgdb9nsd_000094	C3H4O2	5	CS	917.5737081
dsgdb9nsd_000095	C5H10	5	CS	1448.090922
dsgdb9nsd_000096	C4H8O	5	C1	1248.578851
dsgdb9nsd_000097	C4H8O	5	CS	1245.283585
dsgdb9nsd_000098	C4H8O	5	CS	1253.803244
dsgdb9nsd_000100	C5H10	5	C1	1446.132597
dsgdb9nsd_000101	C4H8O	5	C1	1249.208651
dsgdb9nsd_000102	C4H9N	5	C1	1306.564155
dsgdb9nsd_000103	C4H8O	5	C1	1249.451422
dsgdb9nsd_000104	C3H6O2	5	C1	1051.795129
dsgdb9nsd_000106	C4H6O	5	C2V	1074.807722
dsgdb9nsd_000107	C5H4	5	C2V	988.0907659
dsgdb9nsd_000108	C4H3N	5	CS	897.2332575
dsgdb9nsd_000109	C3H2N2	5	C1	803.923555
dsgdb9nsd_000110	C4H4O	5	C1	962.3664971
dsgdb9nsd_000111	C3H3NO	5	C1	870.8343219
dsgdb9nsd_000112	C2H4N2O	5	C1	885.5401451
dsgdb9nsd_000113	C2H3NO2	5	C1	814.016104
dsgdb9nsd_000114	C2H3NO2	5	C1	828.0356703
dsgdb9nsd_000115	C5H4	5	C3V	998.2230175
dsgdb9nsd_000116	C4H3N	5	C1	904.4376376
dsgdb9nsd_000117	C4H4O	5	C1	965.1850878
dsgdb9nsd_000118	C4H6O	5	CS	1098.26345
dsgdb9nsd_000119	C5H8	5	C1	1299.127528
dsgdb9nsd_000120	C3H7NO	5	C1	1124.961023
dsgdb9nsd_000121	C5H8	5	C1	1295.038876
dsgdb9nsd_000122	C4H7N	5	C1	1206.03756
dsgdb9nsd_000123	C3H6N2	5	C1	1066.791602
dsgdb9nsd_000124	C4H6O	5	C1	1084.117616
dsgdb9nsd_000125	C3H5NO	5	C1	993.0436921
dsgdb9nsd_000126	C4H6O	5	C1	1097.897994
dsgdb9nsd_000127	C3H5NO	5	C1	1008.255533
dsgdb9nsd_000128	C4H8O	5	C1	1266.932375
dsgdb9nsd_000129	C3H7NO	5	C1	1154.526667
dsgdb9nsd_000130	C3H6O2	5	C1	1079.559443
dsgdb9nsd_000131	C3H6O2	5	C1	1058.247025
dsgdb9nsd_000132	C3H6O2	5	C1	1068.755769
dsgdb9nsd_000133	C5H12	5	C1	1597.673411
dsgdb9nsd_000134	C4H10O	5	C1	1400.637938
dsgdb9nsd_000135	C4H10O	5	C1	1391.421054
dsgdb9nsd_000136	C4H10O	5	C2	1394.664713
dsgdb9nsd_000137	C3H8O2	5	C1	1195.983942
dsgdb9nsd_000138	C3H8O2	5	C1	1202.839019
dsgdb9nsd_000139	C5H6	5	C1	1143.022083
dsgdb9nsd_000140	C4H5N	5	C1	1009.374941
dsgdb9nsd_000141	C4H4O	5	C1	938.8386811
dsgdb9nsd_000142	C4H5N	5	C1	1053.510821
dsgdb9nsd_000143	C3H4N2	5	C1	918.1493038
dsgdb9nsd_000144	C3H3NO	5	C1	846.5116835
dsgdb9nsd_000146	C3H5NO	5	C1	984.8845626
dsgdb9nsd_000147	C3H4O2	5	C1	913.2505065
dsgdb9nsd_000148	C3H5NO	5	C1	987.7643292
dsgdb9nsd_000149	C5H10	5	C1	1445.887517
dsgdb9nsd_000151	C4H9N	5	C1	1308.10882
dsgdb9nsd_000152	C4H8O	5	C1	1238.384859
dsgdb9nsd_000153	C4H8O	5	C1	1248.575952
dsgdb9nsd_000154	C3H7NO	5	C1	1115.602792
dsgdb9nsd_000155	C3H6O2	5	C1	1049.124342
dsgdb9nsd_000156	C5H8	5	CS	1322.883324
dsgdb9nsd_000157	C3H5NO	5	CS	1004.894642
dsgdb9nsd_000158	C4H6O	5	C2V	1118.20899
dsgdb9nsd_000160	C4H8O	5	C1	1263.456869
dsgdb9nsd_000161	C3H6O2	5	C1	1062.818325
dsgdb9nsd_000162	C5H8	5	C1	1293.747556
dsgdb9nsd_000163	C4H6O	5	C1	1087.627647
dsgdb9nsd_000164	C4H6O	5	C1	1093.355943
dsgdb9nsd_000165	C3H4N2	5	CS	940.9008153
dsgdb9nsd_000166	C2H3N3	5	C1	803.7251616
dsgdb9nsd_000167	C2H3N3	5	CS	821.0428864
dsgdb9nsd_000168	C2H3N3	5	CS	814.7673458
dsgdb9nsd_000169	C2H3N3	5	CS	807.7666742
dsgdb9nsd_000170	C3H3NO	5	C1	851.2610205
dsgdb9nsd_000171	C2H2N2O	5	CS	717.0990313
dsgdb9nsd_000172	C2H2N2O	5	C1	732.5591146
dsgdb9nsd_000173	C2H2N2O	5	C2V	738.6951786
dsgdb9nsd_000174	CHN3O	5	C1	584.4989698
dsgdb9nsd_000175	C2H2N2O	5	C2V	706.4099278
dsgdb9nsd_000178	C4H5NO	6	C1	1105.112007
dsgdb9nsd_000179	C3H7NO2	6	C1	1214.465759
dsgdb9nsd_000180	C4H9NO	6	C1	1410.966701
dsgdb9nsd_000182	C3H6N2O	6	C1	1121.469523
dsgdb9nsd_000183	C3H5NO2	6	C1	1051.309832
dsgdb9nsd_000184	CF4	5	TD	478.8678044
dsgdb9nsd_000185	C3H4N2O	6	C1	1042.096988
dsgdb9nsd_000186	C3H3NO2	6	CS	966.2102062
dsgdb9nsd_000187	C3H4N2O	6	C1	1067.68104
dsgdb9nsd_000188	C3H3NO2	6	C1	992.0330755
dsgdb9nsd_000189	C3H2O3	6	C2V	915.8885188
dsgdb9nsd_000190	C5H7N	6	C1	1371.393937
dsgdb9nsd_000191	C5H6O	6	C1	1295.380242
dsgdb9nsd_000192	C4H5NO	6	C1	1174.811941
dsgdb9nsd_000193	C4H5NO	6	C1	1176.073097
dsgdb9nsd_000194	C4H6N2	6	C1	1243.698283
dsgdb9nsd_000195	C4H5NO	6	C1	1168.03598
dsgdb9nsd_000196	C3H4N2O	6	C1	1046.608367
dsgdb9nsd_000197	C3H4N2O	6	C1	1052.233181
dsgdb9nsd_000198	C4H5NO	6	C1	1174.125633
dsgdb9nsd_000199	C3H4N2O	6	C1	1051.210748
dsgdb9nsd_000200	C3H4N2O	6	C1	1059.273887
dsgdb9nsd_000201	C5H7N	6	C1	1370.070878
dsgdb9nsd_000202	C4H6N2	6	CS	1250.386336
dsgdb9nsd_000203	C5H6O	6	C1	1292.808921
dsgdb9nsd_000204	C4H5NO	6	C1	1174.02291
dsgdb9nsd_000205	C4H6N2	6	C1	1241.067813
dsgdb9nsd_000206	C3H5N3	6	C1	1123.822464
dsgdb9nsd_000207	C4H5NO	6	C1	1163.815596
dsgdb9nsd_000208	C3H4N2O	6	C1	1047.058436
dsgdb9nsd_000209	C4H5NO	6	C1	1171.568733
dsgdb9nsd_000210	C3H4N2O	6	C1	1056.397164
dsgdb9nsd_000211	C3H3NO2	6	C1	978.440793
dsgdb9nsd_000213	C4H6N2	6	C1	1242.812685
dsgdb9nsd_000214	C6H6	6	D6H	1369.97923
dsgdb9nsd_000215	C5H5N	6	C2V	1239.916214
dsgdb9nsd_000216	C4H4N2	6	D2H	1107.630271
dsgdb9nsd_000217	C4H4N2	6	C2V	1112.215973
dsgdb9nsd_000218	C3H3N3	6	D3H	986.7092536
dsgdb9nsd_000219	C6H10	6	C1	1592.710263
dsgdb9nsd_000220	C5H9N	6	C1	1503.720091
dsgdb9nsd_000221	C4H8N2	6	C1	1375.842622
dsgdb9nsd_000222	C5H8O	6	C1	1395.322186
dsgdb9nsd_000223	C4H7NO	6	C1	1304.775496
dsgdb9nsd_000224	C5H10O	6	C1	1565.880304
dsgdb9nsd_000225	C4H8O2	6	C1	1370.689426
dsgdb9nsd_000226	C5H12O	6	C1	1699.467601
dsgdb9nsd_000227	C4H10O2	6	C1	1505.942755
dsgdb9nsd_000228	C6H14	6	C1	1895.292746
dsgdb9nsd_000229	C5H12O	6	C1	1702.586662
dsgdb9nsd_000230	C5H12O	6	C1	1691.14584
dsgdb9nsd_000231	C5H6O	6	C1	1267.740513
dsgdb9nsd_000232	C4H5NO	6	C1	1155.978316
dsgdb9nsd_000233	C6H10	6	C1	1595.138675
dsgdb9nsd_000234	C5H8O	6	C1	1398.191291
dsgdb9nsd_000235	C5H6O	6	C1	1264.787422
dsgdb9nsd_000236	C4H5NO	6	C1	1172.852429
dsgdb9nsd_000237	C4H5NO	6	C1	1155.649984
dsgdb9nsd_000238	C3H4N2O	6	C1	1064.775037
dsgdb9nsd_000239	C3H6N2O	6	C1	1192.690496
dsgdb9nsd_000240	C3H5NO2	6	C1	1118.670617
dsgdb9nsd_000241	C4H6O2	6	C1	1236.945145
dsgdb9nsd_000242	C3H6N2O	6	C1	1186.254928
dsgdb9nsd_000243	C3H5NO2	6	C1	1129.429475
dsgdb9nsd_000244	C3H5NO2	6	C1	1120.921902
dsgdb9nsd_000245	C2H5N3O	6	C1	1073.435817
dsgdb9nsd_000246	C3H5NO2	6	C1	1126.737729
dsgdb9nsd_000247	C2H5N3O	6	C1	1070.188543
dsgdb9nsd_000248	C2H4N2O2	6	C1	1013.712211
dsgdb9nsd_000249	C2H4N2O2	6	C1	1006.974679
dsgdb9nsd_000250	C6H10	6	C1	1591.715585
dsgdb9nsd_000251	C5H9N	6	C1	1502.849968
dsgdb9nsd_000252	C5H8O	6	C1	1396.835143
dsgdb9nsd_000253	C4H7NO	6	C1	1306.386564
dsgdb9nsd_000254	C4H8N2	6	C1	1358.092142
dsgdb9nsd_000255	C5H10O	6	C1	1563.403467
dsgdb9nsd_000256	C4H9NO	6	C1	1451.941879
dsgdb9nsd_000257	C4H8O2	6	C1	1378.179857
dsgdb9nsd_000258	C4H8O2	6	C1	1367.666462
dsgdb9nsd_000259	C4H9NO	6	C1	1421.196706
dsgdb9nsd_000260	C4H8O2	6	C1	1372.570857
dsgdb9nsd_000261	C5H10O	6	C1	1569.579918
dsgdb9nsd_000262	C4H9NO	6	C1	1458.523211
dsgdb9nsd_000263	C4H9NO	6	C1	1455.233009
dsgdb9nsd_000264	C3H8N2O	6	C1	1338.091142
dsgdb9nsd_000265	C4H8O2	6	C1	1386.139902
dsgdb9nsd_000266	C3H7NO2	6	C1	1270.923762
dsgdb9nsd_000267	C3H7NO2	6	C1	1257.547455
dsgdb9nsd_000268	C4H8O2	6	C1	1358.315937
dsgdb9nsd_000269	C3H7NO2	6	C1	1246.278677
dsgdb9nsd_000270	C3H7NO2	6	C1	1261.646096
dsgdb9nsd_000271	C3H7NO2	6	C1	1217.257744
dsgdb9nsd_000272	C5H12O	6	C1	1696.369135
dsgdb9nsd_000273	C4H10O2	6	C1	1502.201556
dsgdb9nsd_000274	C6H14	6	C1	1893.568061
dsgdb9nsd_000275	C5H12O	6	C1	1699.173268
dsgdb9nsd_000276	C5H12O	6	C1	1692.073914
dsgdb9nsd_000277	C5H12O	6	C1	1687.992165
dsgdb9nsd_000278	C4H10O2	6	C1	1494.026092
dsgdb9nsd_000279	C4H6O2	6	C2	1241.630376
dsgdb9nsd_000280	C3H6N2O	6	C1	1188.763579
dsgdb9nsd_000281	C3H5NO2	6	C1	1133.427243
dsgdb9nsd_000282	C2H4N2O2	6	C1	1007.358935
dsgdb9nsd_000283	C2H4N2O2	6	C2	1026.036937
dsgdb9nsd_000284	C5H10O	6	C1	1570.146835
dsgdb9nsd_000285	C4H9NO	6	C1	1459.73608
dsgdb9nsd_000286	C3H7NO2	6	C1	1266.37199
dsgdb9nsd_000287	C4H8O2	6	C1	1377.3296
dsgdb9nsd_000288	C3H7NO2	6	C1	1266.123929
dsgdb9nsd_000289	C4H9NO	6	C1	1446.456222
dsgdb9nsd_000290	C3H8N2O	6	C1	1330.02063
dsgdb9nsd_000291	C6H14	6	C2	1893.799299
dsgdb9nsd_000292	C5H12O	6	C1	1699.924183
dsgdb9nsd_000293	C4H10O2	6	C1	1506.529137
dsgdb9nsd_000294	C6H12	6	CS	1745.628348
dsgdb9nsd_000295	C5H10O	6	C1	1548.348102
dsgdb9nsd_000296	C5H10O	6	CS	1543.10533
dsgdb9nsd_000297	C5H10O	6	C1	1552.844584
dsgdb9nsd_000298	C4H8O2	6	C1	1348.861521
dsgdb9nsd_000299	C5H10O	6	C1	1546.986708
dsgdb9nsd_000300	C4H8O2	6	C1	1350.854366
dsgdb9nsd_000301	C6H12	6	C1	1743.816433
dsgdb9nsd_000302	C5H10O	6	C1	1548.190491
dsgdb9nsd_000303	C5H10O	6	C1	1549.057282
dsgdb9nsd_000304	C5H11N	6	C1	1605.588452
dsgdb9nsd_000306	C5H8O	6	CS	1420.504808
dsgdb9nsd_000307	C4H7NO	6	C1	1308.461349
dsgdb9nsd_000308	C4H6O2	6	C1	1242.382345
dsgdb9nsd_000309	C4H7NO	6	CS	1279.107226
dsgdb9nsd_000310	C4H6O2	6	C1	1224.249718
dsgdb9nsd_000311	C6H12	6	C2V	1745.308902
dsgdb9nsd_000312	C5H10O	6	CS	1548.762403
dsgdb9nsd_000313	C5H10O	6	C1	1550.456221
dsgdb9nsd_000314	C4H9NO	6	CS	1410.872336
dsgdb9nsd_000315	C4H8O2	6	C2	1354.878
dsgdb9nsd_000316	C6H10	6	C1	1582.159676
dsgdb9nsd_000317	C5H8O	6	CS	1376.703866
dsgdb9nsd_000318	C5H9N	6	C1	1438.580865
dsgdb9nsd_000319	C5H8O	6	C1	1388.804433
dsgdb9nsd_000320	C4H7NO	6	C1	1246.685988
dsgdb9nsd_000321	C5H2O	6	C2	950.918308
dsgdb9nsd_000322	C4HNO	6	C1	854.570857
dsgdb9nsd_000323	C3N2O	6	C2V	754.8725116
dsgdb9nsd_000324	C4H2O2	6	C1	919.5869343
dsgdb9nsd_000325	C3HNO2	6	CS	822.1652812
dsgdb9nsd_000326	C3H2O3	6	C1	883.562072
dsgdb9nsd_000327	C6H6	6	CS	1283.994785
dsgdb9nsd_000328	C5H5N	6	C1	1193.353892
dsgdb9nsd_000329	C4H4N2	6	CS	1100.429405
dsgdb9nsd_000330	C4H4N2	6	C1	1061.730236
dsgdb9nsd_000331	C3H3N3	6	C1	967.8136436
dsgdb9nsd_000332	C5H4O	6	CS	1083.727487
dsgdb9nsd_000333	C4H3NO	6	C1	991.3628138
dsgdb9nsd_000334	C3H2N2O	6	CS	896.3660394
dsgdb9nsd_000335	C5H6O	6	C1	1258.413814
dsgdb9nsd_000336	C4H5NO	6	C1	1167.017388
dsgdb9nsd_000337	C4H4O2	6	C1	1060.959227
dsgdb9nsd_000338	C3H3NO2	6	C1	967.9619743
dsgdb9nsd_000339	C4H6O2	6	C1	1228.930907
dsgdb9nsd_000340	C3H6N2O	6	C1	1185.957501
dsgdb9nsd_000341	C3H5NO2	6	C1	1127.533687
dsgdb9nsd_000342	C3H4O3	6	C1	1032.224068
dsgdb9nsd_000343	C3H5N3	6	C1	1105.804978
dsgdb9nsd_000344	C3H6N2O	6	C1	1177.06298
dsgdb9nsd_000345	C5H6O	6	C1	1261.988641
dsgdb9nsd_000346	C4H5NO	6	C1	1167.510667
dsgdb9nsd_000347	C3H5N3	6	C1	1108.159256
dsgdb9nsd_000348	C4H5NO	6	C1	1144.959481
dsgdb9nsd_000349	C4H4O2	6	C1	1072.238516
dsgdb9nsd_000350	C3H3NO2	6	C1	976.6886234
dsgdb9nsd_000351	C4H4O2	6	C1	1059.853493
dsgdb9nsd_000352	C3H3NO2	6	C1	964.7368892
dsgdb9nsd_000354	C3H6N2O	6	C1	1173.190387
dsgdb9nsd_000355	C3H5NO2	6	C1	1113.60927
dsgdb9nsd_000356	C3H4O3	6	C1	1042.419541
dsgdb9nsd_000357	C3H4O3	6	C1	1025.954131
dsgdb9nsd_000358	C5H10O	6	C2	1570.08724
dsgdb9nsd_000359	C4H8O2	6	C1	1368.038167
dsgdb9nsd_000360	C4H9NO	6	C1	1453.250927
dsgdb9nsd_000361	C4H8O2	6	C1	1383.615325
dsgdb9nsd_000362	C3H7NO2	6	C1	1256.787184
dsgdb9nsd_000363	C3H8N2O	6	C1	1330.176478
dsgdb9nsd_000364	C3H7NO2	6	C1	1262.204523
dsgdb9nsd_000365	C3H7NO2	6	C1	1254.42857
dsgdb9nsd_000366	C3H6O3	6	C1	1186.425366
dsgdb9nsd_000367	C3H6O3	6	C2	1165.366988
dsgdb9nsd_000369	C5H8O	6	C1	1393.946805
dsgdb9nsd_000370	C4H7NO	6	C1	1304.37559
dsgdb9nsd_000371	C6H10	6	C1	1590.429128
dsgdb9nsd_000372	C5H9N	6	C1	1501.454487
dsgdb9nsd_000373	C4H8N2	6	C1	1372.470455
dsgdb9nsd_000374	C5H8O	6	C1	1393.419289
dsgdb9nsd_000376	C4H8N2	6	C1	1363.321448
dsgdb9nsd_000377	C5H8O	6	C1	1381.457295
dsgdb9nsd_000378	C4H7NO	6	C1	1293.582427
dsgdb9nsd_000379	C3H6N2O	6	C1	1174.081846
dsgdb9nsd_000380	C3H7N3	6	C1	1242.994004
dsgdb9nsd_000381	C3H6N2O	6	C1	1173.696147
dsgdb9nsd_000382	C4H6O2	6	C1	1197.733237
dsgdb9nsd_000383	C3H5NO2	6	C1	1105.418144
dsgdb9nsd_000384	C4H8O2	6	C1	1366.448058
dsgdb9nsd_000385	C5H10O	6	C1	1562.573147
dsgdb9nsd_000386	C4H8O2	6	C1	1369.921486
dsgdb9nsd_000387	C4H9NO	6	C1	1444.678977
dsgdb9nsd_000388	C4H8O2	6	C1	1356.337387
dsgdb9nsd_000389	C3H6O3	6	C1	1173.118041
dsgdb9nsd_000390	C4H10O2	6	C1	1499.373766
dsgdb9nsd_000391	C6H14	6	C1	1892.950052
dsgdb9nsd_000392	C5H12O	6	C1	1696.647065
dsgdb9nsd_000393	C5H12O	6	C1	1689.14074
dsgdb9nsd_000394	C5H12O	6	C1	1699.149792
dsgdb9nsd_000395	C4H10O2	6	C1	1503.720342
dsgdb9nsd_000397	C3H8O3	6	CS	1306.721842
dsgdb9nsd_000398	C6H8	6	C1	1440.221344
dsgdb9nsd_000399	C5H7N	6	C1	1350.817248
dsgdb9nsd_000400	C5H7N	6	C1	1306.393805
dsgdb9nsd_000401	C4H6N2	6	C1	1215.86237
dsgdb9nsd_000402	C5H6O	6	C1	1238.541253
dsgdb9nsd_000403	C4H5NO	6	C1	1146.755621
dsgdb9nsd_000404	C4H6N2	6	C1	1222.40201
dsgdb9nsd_000405	C5H6O	6	C1	1241.56433
dsgdb9nsd_000406	C4H5NO	6	C1	1150.585725
dsgdb9nsd_000407	C5H8O	6	C1	1416.253368
dsgdb9nsd_000408	C4H7NO	6	C1	1282.893838
dsgdb9nsd_000409	C4H6O2	6	C1	1213.893157
dsgdb9nsd_000410	C4H6O2	6	C1	1219.714462
dsgdb9nsd_000411	C5H10O	6	C1	1546.356852
dsgdb9nsd_000412	C4H9NO	6	C1	1417.296709
dsgdb9nsd_000413	C4H8O2	6	C1	1349.012744
dsgdb9nsd_000414	C6H12	6	C1	1743.204216
dsgdb9nsd_000415	C5H10O	6	C1	1545.268198
dsgdb9nsd_000416	C5H10O	6	C1	1547.398731
dsgdb9nsd_000417	C5H10O	6	C1	1536.836347
dsgdb9nsd_000418	C4H8O2	6	C1	1351.361632
dsgdb9nsd_000419	C5H8O	6	C1	1420.884783
dsgdb9nsd_000420	C4H7NO	6	C1	1306.947055
dsgdb9nsd_000421	C4H7NO	6	C1	1292.297934
dsgdb9nsd_000422	C4H6O2	6	C1	1239.289885
dsgdb9nsd_000423	C4H7NO	6	C1	1286.824934
dsgdb9nsd_000424	C4H6O2	6	C1	1217.441685
dsgdb9nsd_000425	C4H7NO	6	C1	1303.064233
dsgdb9nsd_000426	C3H6N2O	6	C1	1163.464435
dsgdb9nsd_000427	C3H5NO2	6	C1	1109.900469
dsgdb9nsd_000428	C4H6O2	6	C1	1223.572861
dsgdb9nsd_000429	C3H5NO2	6	C1	1108.513008
dsgdb9nsd_000430	C3H5NO2	6	C1	1093.76715
dsgdb9nsd_000431	C3H4O3	6	C1	1039.507188
dsgdb9nsd_000432	C6H12	6	C1	1744.113766
dsgdb9nsd_000433	C5H10O	6	C1	1549.572411
dsgdb9nsd_000434	C5H10O	6	C1	1544.723677
dsgdb9nsd_000435	C4H8O2	6	C1	1348.36373
dsgdb9nsd_000436	C4H8O2	6	C1	1355.92709
dsgdb9nsd_000437	C3H5N3	6	C1	1113.868362
dsgdb9nsd_000438	C5H6O	6	CS	1294.888745
dsgdb9nsd_000439	C4H5NO	6	C1	1181.547232
dsgdb9nsd_000440	C3H4N2O	6	CS	1060.141526
dsgdb9nsd_000441	C3H3NO2	6	CS	988.46094
dsgdb9nsd_000442	C4H5NO	6	CS	1166.24498
dsgdb9nsd_000443	C5H6O	6	C1	1299.080013
dsgdb9nsd_000444	C4H5NO	6	C1	1182.36974
dsgdb9nsd_000445	C4H7NO	6	C1	1308.586041
dsgdb9nsd_000446	C3H5NO2	6	C1	1105.219819
dsgdb9nsd_000447	C3H5NO2	6	C1	1110.721258
dsgdb9nsd_000448	C5H8O	6	C1	1439.435935
dsgdb9nsd_000449	C4H7NO	6	C1	1325.334564
dsgdb9nsd_000450	C4H6O2	6	C1	1253.789602
dsgdb9nsd_000451	C4H6O2	6	C1	1233.323807
dsgdb9nsd_000452	C3H4O3	6	C1	1049.56031
dsgdb9nsd_000453	C3H6N2O	6	C2	1203.593687
dsgdb9nsd_000454	C3H5NO2	6	C1	1132.359731
dsgdb9nsd_000455	C3H4O3	6	C2	1059.952031
dsgdb9nsd_000456	C6H10	6	C1	1621.545586
dsgdb9nsd_000457	C5H8O	6	C1	1416.948649
dsgdb9nsd_000458	C4H7NO	6	C1	1306.94799
dsgdb9nsd_000459	C6H10	6	CS	1619.157454
dsgdb9nsd_000460	C4H7NO	6	C1	1304.143299
dsgdb9nsd_000461	C5H8O	6	CS	1424.491463
dsgdb9nsd_000462	C6H10	6	C1	1619.268975
dsgdb9nsd_000463	C4H7NO	6	C1	1302.970258
dsgdb9nsd_000464	C5H8O	6	C1	1417.201215
dsgdb9nsd_000465	C5H8O	6	C1	1424.195963
dsgdb9nsd_000466	C6H12	6	C1	1762.624186
dsgdb9nsd_000467	C5H10O	6	C1	1562.527251
dsgdb9nsd_000468	C5H10O	6	C1	1559.880296
dsgdb9nsd_000469	C4H8O2	6	C1	1361.888813
dsgdb9nsd_000470	C4H8O2	6	C1	1364.31575
dsgdb9nsd_000471	C5H10O	6	C1	1567.844528
dsgdb9nsd_000472	C4H8O2	6	C1	1364.25249
dsgdb9nsd_000473	C6H12	6	C1	1740.880015
dsgdb9nsd_000474	C5H10O	6	C1	1544.543945
dsgdb9nsd_000475	C5H11N	6	C1	1601.796494
dsgdb9nsd_000476	C4H8O2	6	C1	1347.01535
dsgdb9nsd_000477	C3H6O3	6	C1	1152.619854
dsgdb9nsd_000478	C6H10	6	C1	1592.046069
dsgdb9nsd_000479	C5H8O	6	C1	1388.43419
dsgdb9nsd_000480	C5H8O	6	C1	1385.697709
dsgdb9nsd_000481	C5H8O	6	C1	1394.111633
dsgdb9nsd_000482	C5H8O	6	C1	1395.248096
dsgdb9nsd_000483	C4H6O2	6	C1	1187.547064
dsgdb9nsd_000485	C5HN	6	C*V	894.2278761
dsgdb9nsd_000486	C4N2	6	D*H	795.156237
dsgdb9nsd_000487	C6H6	6	C1	1286.57474
dsgdb9nsd_000488	C5H5N	6	C1	1196.567726
dsgdb9nsd_000489	C4H4N2	6	C1	1105.166318
dsgdb9nsd_000490	C5H2O	6	C1	955.8804397
dsgdb9nsd_000491	C4HNO	6	C1	858.4912854
dsgdb9nsd_000492	C4H2O2	6	C1	921.3517922
dsgdb9nsd_000493	C4H5NO	6	C1	1121.335719
dsgdb9nsd_000494	C3H4N2O	6	C1	1028.714834
dsgdb9nsd_000495	C5H6O	6	C1	1257.773509
dsgdb9nsd_000496	C4H5NO	6	C1	1167.265405
dsgdb9nsd_000497	C4H5NO	6	C1	1143.065143
dsgdb9nsd_000498	C3H4N2O	6	C1	1051.565059
dsgdb9nsd_000499	C4H4O2	6	C1	1066.430382
dsgdb9nsd_000500	C3H3NO2	6	C1	972.9138211
dsgdb9nsd_000501	C3H5NO2	6	C1	1093.806658
dsgdb9nsd_000502	C4H6O2	6	CI	1229.642905
dsgdb9nsd_000503	C3H5NO2	6	C1	1116.431983
dsgdb9nsd_000504	C3H4O3	6	C1	1038.917128
dsgdb9nsd_000505	C6H6	6	C2	1298.638873
dsgdb9nsd_000507	C5H5N	6	C1	1197.717882
dsgdb9nsd_000508	C5H6O	6	C1	1262.315511
dsgdb9nsd_000509	C3H6N2O	6	C1	1175.670945
dsgdb9nsd_000510	C3H5NO2	6	C1	1103.84504
dsgdb9nsd_000511	C6H6	6	C1	1292.861362
dsgdb9nsd_000512	C5H5N	6	C1	1199.141067
dsgdb9nsd_000513	C5H4O	6	C1	1090.882896
dsgdb9nsd_000514	C4H3NO	6	C1	996.2541688
dsgdb9nsd_000515	C5H6O	6	C1	1259.809546
dsgdb9nsd_000516	C4H4O2	6	C1	1058.08155
dsgdb9nsd_000517	C6H10	6	C1	1593.706347
dsgdb9nsd_000518	C5H8O	6	C1	1392.831871
dsgdb9nsd_000519	C4H6O2	6	C1	1191.727231
dsgdb9nsd_000520	C4H9NO	6	C1	1419.785763
dsgdb9nsd_000521	C5H8O	6	C1	1397.28865
dsgdb9nsd_000522	C6H10	6	CS	1594.252223
dsgdb9nsd_000523	C5H8O	6	C1	1384.01129
dsgdb9nsd_000524	C4H9NO	6	C1	1423.007573
dsgdb9nsd_000525	C6H10	6	C1	1589.978306
dsgdb9nsd_000526	C5H9N	6	C1	1501.019955
dsgdb9nsd_000527	C4H8N2	6	C1	1363.634676
dsgdb9nsd_000528	C5H8O	6	C1	1382.169932
dsgdb9nsd_000529	C4H7NO	6	C1	1291.249767
dsgdb9nsd_000530	C5H8O	6	C1	1383.448684
dsgdb9nsd_000531	C4H7NO	6	C1	1293.837026
dsgdb9nsd_000532	C5H8O	6	C1	1392.363096
dsgdb9nsd_000533	C4H7NO	6	C1	1302.988907
dsgdb9nsd_000534	C5H10O	6	C1	1561.958118
dsgdb9nsd_000535	C4H9NO	6	C1	1449.630655
dsgdb9nsd_000536	C4H8O2	6	C1	1374.5008
dsgdb9nsd_000537	C4H8O2	6	C1	1356.322471
dsgdb9nsd_000538	C4H8O2	6	C1	1354.434257
dsgdb9nsd_000539	C4H8O2	6	C1	1364.582479
dsgdb9nsd_000540	C3H7NO2	6	C1	1253.693173
dsgdb9nsd_000541	C3H7NO2	6	C1	1232.738328
dsgdb9nsd_000542	C3H6O3	6	C1	1178.089554
dsgdb9nsd_000543	C6H14	6	C2H	1892.616707
dsgdb9nsd_000544	C5H12O	6	CS	1695.60634
dsgdb9nsd_000545	C5H12O	6	C1	1686.241865
dsgdb9nsd_000546	C5H12O	6	C1	1689.368908
dsgdb9nsd_000547	C4H10O2	6	C1	1494.007305
dsgdb9nsd_000548	C4H10O2	6	C1	1488.478469
dsgdb9nsd_000549	C4H10O2	6	C1	1478.824216
dsgdb9nsd_000550	C4H10O2	6	CI	1498.647568
dsgdb9nsd_000551	C6H8	6	C1	1440.420761
dsgdb9nsd_000552	C5H6O	6	C1	1236.253372
dsgdb9nsd_000553	C5H6O	6	CS	1236.498164
dsgdb9nsd_000554	C5H7N	6	C1	1351.136111
dsgdb9nsd_000555	C4H6N2	6	C1	1216.122466
dsgdb9nsd_000556	C4H5NO	6	C1	1144.899002
dsgdb9nsd_000557	C4H5NO	6	CS	1145.74693
dsgdb9nsd_000558	C5H8O	6	C1	1412.420835
dsgdb9nsd_000559	C4H6O2	6	C1	1209.4779
dsgdb9nsd_000560	C4H6O2	6	C1	1208.3433
dsgdb9nsd_000561	C4H7NO	6	C1	1293.409084
dsgdb9nsd_000562	C4H7NO	6	C1	1283.874347
dsgdb9nsd_000563	C6H12	6	C1	1743.255509
dsgdb9nsd_000564	C5H10O	6	C1	1543.781873
dsgdb9nsd_000565	C5H10O	6	C1	1540.45072
dsgdb9nsd_000566	C5H10O	6	C1	1538.957642
dsgdb9nsd_000567	C4H8O2	6	C1	1334.353125
dsgdb9nsd_000568	C5H10O	6	C1	1545.952208
dsgdb9nsd_000569	C4H8O2	6	C1	1347.544102
dsgdb9nsd_000570	C4H8O2	6	C1	1343.363044
dsgdb9nsd_000571	C6H8	6	C1	1437.500639
dsgdb9nsd_000572	C5H6O	6	C1	1236.331278
dsgdb9nsd_000573	C5H7N	6	C1	1297.87665
dsgdb9nsd_000574	C5H7N	6	C1	1348.394729
dsgdb9nsd_000575	C4H6N2	6	C1	1214.369669
dsgdb9nsd_000576	C4H5NO	6	C1	1146.120173
dsgdb9nsd_000577	C4H6N2	6	C1	1206.804408
dsgdb9nsd_000578	C4H7NO	6	C1	1275.343267
dsgdb9nsd_000579	C5H8O	6	C1	1409.891005
dsgdb9nsd_000580	C4H7NO	6	C1	1276.84582
dsgdb9nsd_000581	C4H6O2	6	C1	1208.83346
dsgdb9nsd_000582	C4H7NO	6	C1	1270.401423
dsgdb9nsd_000583	C4H7NO	6	C1	1296.017314
dsgdb9nsd_000584	C4H6O2	6	C1	1220.600223
dsgdb9nsd_000585	C6H8	6	C1	1442.296192
dsgdb9nsd_000586	C5H7N	6	C1	1309.183813
dsgdb9nsd_000587	C5H6O	6	C1	1239.062268
dsgdb9nsd_000588	C6H12	6	C1	1740.860914
dsgdb9nsd_000589	C5H10O	6	C1	1540.991859
dsgdb9nsd_000590	C5H11N	6	C1	1602.927806
dsgdb9nsd_000591	C5H10O	6	C1	1536.363907
dsgdb9nsd_000592	C5H10O	6	C1	1534.220586
dsgdb9nsd_000593	C4H9NO	6	C1	1401.277063
dsgdb9nsd_000594	C4H8O2	6	C1	1332.658447
dsgdb9nsd_000595	C5H10O	6	C1	1543.873451
dsgdb9nsd_000596	C4H8O2	6	C1	1343.725525
dsgdb9nsd_000598	C6H8	6	C1	1439.936173
dsgdb9nsd_000599	C5H7N	6	C1	1350.769501
dsgdb9nsd_000600	C5H7N	6	C1	1307.125864
dsgdb9nsd_000601	C4H6N2	6	C1	1216.619843
dsgdb9nsd_000602	C5H6O	6	C1	1238.87074
dsgdb9nsd_000603	C4H5NO	6	C1	1146.984674
dsgdb9nsd_000604	C5H7N	6	C1	1299.000827
dsgdb9nsd_000605	C4H6N2	6	C1	1208.450987
dsgdb9nsd_000606	C5H6O	6	C1	1241.990629
dsgdb9nsd_000607	C4H5NO	6	C1	1151.757944
dsgdb9nsd_000608	C5H8O	6	C1	1413.094805
dsgdb9nsd_000609	C4H7NO	6	C1	1285.836161
dsgdb9nsd_000610	C4H7NO	6	C1	1281.097761
dsgdb9nsd_000611	C4H6O2	6	C1	1210.351079
dsgdb9nsd_000612	C4H7NO	6	C1	1271.108864
dsgdb9nsd_000613	C4H6O2	6	C1	1215.177016
dsgdb9nsd_000614	C5H10O	6	C1	1543.518846
dsgdb9nsd_000615	C4H9NO	6	C1	1415.669809
dsgdb9nsd_000616	C4H8O2	6	C1	1347.217289
dsgdb9nsd_000617	C6H12	6	C1	1741.225384
dsgdb9nsd_000618	C5H10O	6	C1	1544.218205
dsgdb9nsd_000619	C5H11N	6	C1	1601.528058
dsgdb9nsd_000620	C5H10O	6	C1	1544.40979
dsgdb9nsd_000621	C5H11N	6	C1	1603.589929
dsgdb9nsd_000622	C4H9NO	6	C1	1402.623567
dsgdb9nsd_000623	C5H10O	6	C1	1534.536273
dsgdb9nsd_000624	C4H8O2	6	C1	1336.465071
dsgdb9nsd_000625	C4H8O2	6	C1	1346.719191
dsgdb9nsd_000626	C5H8O	6	C1	1420.444548
dsgdb9nsd_000627	C4H7NO	6	C1	1287.780681
dsgdb9nsd_000628	C4H6O2	6	C1	1215.585111
dsgdb9nsd_000629	C4H7NO	6	C1	1289.327561
dsgdb9nsd_000630	C4H7NO	6	C1	1309.25614
dsgdb9nsd_000631	C3H6N2O	6	C1	1176.880664
dsgdb9nsd_000632	C3H5NO2	6	C1	1106.559125
dsgdb9nsd_000633	C3H6N2O	6	C1	1176.220204
dsgdb9nsd_000634	C6H12	6	CS	1742.538535
dsgdb9nsd_000635	C5H10O	6	C1	1541.721069
dsgdb9nsd_000636	C5H11N	6	CS	1606.352382
dsgdb9nsd_000637	C5H10O	6	C1	1547.19201
dsgdb9nsd_000638	C4H9NO	6	C1	1415.544107
dsgdb9nsd_000639	C4H8O2	6	C1	1348.496505
dsgdb9nsd_000640	C6H10	6	CS	1589.661546
dsgdb9nsd_000641	C5H8O	6	CS	1388.487234
dsgdb9nsd_000642	C5H8O	6	C2V	1386.096491
dsgdb9nsd_000643	C4H7NO	6	C1	1254.699221
dsgdb9nsd_000644	C5H8O	6	CS	1392.590035
dsgdb9nsd_000645	C4H6O2	6	CS	1187.131264
dsgdb9nsd_000646	C6H8	6	C2	1449.76412
dsgdb9nsd_000647	C5H6O	6	C1	1244.920653
dsgdb9nsd_000648	C6H10	6	C2V	1607.781253
dsgdb9nsd_000649	C5H8O	6	CS	1402.726045
dsgdb9nsd_000650	C5H8O	6	CS	1405.75494
dsgdb9nsd_000651	C6H10	6	C1	1578.099439
dsgdb9nsd_000652	C5H8O	6	C1	1370.417865
dsgdb9nsd_000653	C5H8O	6	C1	1384.652517
dsgdb9nsd_000655	C5H8O	6	C1	1417.070028
dsgdb9nsd_000656	C6H10	6	C1	1622.487289
dsgdb9nsd_000657	C4H7NO	6	C1	1300.724602
dsgdb9nsd_000658	C6H12	6	D3D	1767.230049
dsgdb9nsd_000659	C5H10O	6	C1	1563.039267
dsgdb9nsd_000660	C4H8O2	6	C2H	1357.475306
dsgdb9nsd_000661	C4H8O2	6	CS	1363.07554
dsgdb9nsd_000662	C6H10	6	C2	1590.466352
dsgdb9nsd_000663	C5H8O	6	C1	1390.76754
dsgdb9nsd_000664	C4H6O2	6	C2	1188.718222
dsgdb9nsd_000665	C6H10	6	C1	1589.591754
dsgdb9nsd_000666	C5H8O	6	C1	1384.399185
dsgdb9nsd_000667	C5H8O	6	C1	1394.003274
dsgdb9nsd_000668	C4H6O2	6	C1	1188.230955
dsgdb9nsd_000669	C6H8	6	C1	1467.983318
dsgdb9nsd_000670	C4H5NO	6	C1	1147.560332
dsgdb9nsd_000671	C5H7N	6	C1	1334.984989
dsgdb9nsd_000672	C5H6O	6	C1	1267.394793
dsgdb9nsd_000673	C6H10	6	CS	1612.9864
dsgdb9nsd_000674	C5H8O	6	C1	1406.765186
dsgdb9nsd_000675	C5H8O	6	CS	1409.959172
dsgdb9nsd_000676	C4H6O2	6	CS	1202.10925
dsgdb9nsd_000677	C5H8O	6	CS	1415.653783
dsgdb9nsd_000678	C4H7NO	6	CS	1276.414464
dsgdb9nsd_000679	C4H6O2	6	CS	1208.723564
dsgdb9nsd_000680	C4H5NO	6	C1	1131.155126
dsgdb9nsd_000681	C5H6O	6	C1	1268.266221
dsgdb9nsd_000682	C4H5NO	6	C1	1138.45158
dsgdb9nsd_000683	C4H5NO	6	C1	1131.175626
dsgdb9nsd_000684	C4H4O2	6	C1	1061.578912
dsgdb9nsd_000685	C4H5NO	6	C1	1130.863648
dsgdb9nsd_000686	C4H5NO	6	C1	1146.379843
dsgdb9nsd_000687	C4H4O2	6	C1	1077.441831
dsgdb9nsd_000688	C6H10	6	C1	1590.413854
dsgdb9nsd_000689	C5H8O	6	C1	1390.289698
dsgdb9nsd_000690	C5H8O	6	C1	1387.316985
dsgdb9nsd_000691	C5H8O	6	C1	1396.066965
dsgdb9nsd_000692	C4H7NO	6	C1	1265.372806
dsgdb9nsd_000693	C4H6O2	6	C1	1196.397634
dsgdb9nsd_000695	C6H8	6	D2D	1421.12089
dsgdb9nsd_000696	C5H7N	6	CS	1282.189233
dsgdb9nsd_000697	C5H6O	6	C2V	1214.763757
dsgdb9nsd_000698	C4H6N2	6	C2	1148.108675
dsgdb9nsd_000699	C4H5NO	6	CS	1076.874443
dsgdb9nsd_000700	C4H4O2	6	D2D	1005.006715
dsgdb9nsd_000701	C6H10	6	C2	1588.271593
dsgdb9nsd_000702	C5H8O	6	C1	1388.695617
dsgdb9nsd_000703	C5H9N	6	C1	1448.551502
dsgdb9nsd_000704	C4H8N2	6	C1	1326.735203
dsgdb9nsd_000705	C4H7NO	6	C1	1256.002238
dsgdb9nsd_000706	C4H6O2	6	C2	1187.509225
dsgdb9nsd_000707	C6H8	6	C2V	1420.655197
dsgdb9nsd_000708	C5H7N	6	C1	1288.428647
dsgdb9nsd_000709	C5H6O	6	C1	1221.598321
dsgdb9nsd_000710	C5H7N	6	C1	1286.013709
dsgdb9nsd_000711	C4H6N2	6	C2V	1149.230449
dsgdb9nsd_000713	C4H4O2	6	C2V	1014.622595
dsgdb9nsd_000714	C5H7N	6	C1	1302.043809
dsgdb9nsd_000715	C6H8	6	CS	1436.853375
dsgdb9nsd_000716	C5H7N	6	CS	1309.994574
dsgdb9nsd_000717	C5H7N	6	C1	1295.221683
dsgdb9nsd_000718	C5H6O	6	C1	1229.999544
dsgdb9nsd_000719	C6H6	6	D3	1254.919734
dsgdb9nsd_000720	C5H5N	6	CS	1123.785886
dsgdb9nsd_000721	C4H4N2	6	C2V	1089.515026
dsgdb9nsd_000722	C3H3N3	6	CS	943.269557
dsgdb9nsd_000723	C2H2N4	6	C2V	807.6101545
dsgdb9nsd_000724	C2H2N4	6	C2V	814.9872628
dsgdb9nsd_000725	C2H2N4	6	C2V	794.44247
dsgdb9nsd_000726	C4H6N2	6	C1	1239.162312
dsgdb9nsd_000727	C4H5NO	6	C1	1151.823381
dsgdb9nsd_000728	C3H5N3	6	C1	1102.194853
dsgdb9nsd_000729	C3H4N2O	6	C1	1017.961756
dsgdb9nsd_000730	C4H6N2	6	C1	1237.228466
dsgdb9nsd_000731	C3H5N3	6	C1	1102.354743
dsgdb9nsd_000732	C4H5NO	6	C1	1148.247757
dsgdb9nsd_000733	C3H4N2O	6	C1	1016.190083
dsgdb9nsd_000734	C3H5N3	6	C1	1121.351482
dsgdb9nsd_000735	C3H4N2O	6	C1	1034.844215
dsgdb9nsd_000736	C4H6N2	6	C1	1239.484155
dsgdb9nsd_000737	C3H5N3	6	CS	1121.263311
dsgdb9nsd_000738	C3H5N3	6	C1	1106.335751
dsgdb9nsd_000739	C2H4N4	6	C1	972.9498653
dsgdb9nsd_000740	C4H5NO	6	C1	1150.941027
dsgdb9nsd_000741	C3H4N2O	6	C1	1033.945565
dsgdb9nsd_000742	C3H4N2O	6	C1	1006.187425
dsgdb9nsd_000743	C2H3N3O	6	C1	875.179091
dsgdb9nsd_000744	C4H6N2	6	C1	1233.523399
dsgdb9nsd_000745	C3H5N3	6	C1	1097.003467
dsgdb9nsd_000746	C3H5N3	6	C1	1114.313768
dsgdb9nsd_000747	C3H5N3	6	C1	1105.748509
dsgdb9nsd_000748	C2H4N4	6	C1	963.8591728
dsgdb9nsd_000749	C3H5N3	6	C1	1101.784562
dsgdb9nsd_000750	C2H4N4	6	C1	967.7158901
dsgdb9nsd_000751	CH3N5	6	C1	821.2423528
dsgdb9nsd_000752	C2H3N3O	6	C1	900.1095854
dsgdb9nsd_000753	CH3N5	6	C1	834.0172602
dsgdb9nsd_000754	C2H2N2O2	6	C1	824.0797249
dsgdb9nsd_000755	CHN3O2	6	C1	666.2988052
dsgdb9nsd_000756	C3H5N3	6	C1	1111.173949
dsgdb9nsd_000757	C3H4N2O	6	C1	1026.226658
dsgdb9nsd_000758	C2H4N4	6	C1	973.2916823
dsgdb9nsd_000760	C3H5N3	6	C1	1107.647886
dsgdb9nsd_000761	C2H4N4	6	C1	975.3754656
dsgdb9nsd_000762	C3H4N2O	6	C1	1018.301797
dsgdb9nsd_000763	C2H3N3O	6	C1	887.8327824
dsgdb9nsd_000764	C2H4N4	6	C1	996.4319548
dsgdb9nsd_000765	C2H3N3O	6	C1	912.6169667
dsgdb9nsd_000767	C2H4N4	6	C1	997.3510491
dsgdb9nsd_000768	C2H4N4	6	C1	979.8590273
dsgdb9nsd_000769	CH3N5	6	C1	848.2648509
dsgdb9nsd_000770	C3H4N2O	6	C1	1025.561498
dsgdb9nsd_000771	C2H3N3O	6	C1	910.0999947
dsgdb9nsd_000772	C2H3N3O	6	C1	879.9223977
dsgdb9nsd_000773	CH2N4O	6	C1	750.0095514
dsgdb9nsd_000774	C2H3N3O	6	C1	934.4135531
dsgdb9nsd_000775	C2H2N2O2	6	CS	848.3125479
dsgdb9nsd_000776	CH2N4O	6	CS	784.4886696
dsgdb9nsd_000777	CHN3O2	6	C1	700.068047
dsgdb9nsd_000778	C2HNO3	6	CS	772.3816394
dsgdb9nsd_000780	C3H4N2O	6	C1	1041.747942
dsgdb9nsd_000781	C3H4N2O	6	C1	1037.595844
dsgdb9nsd_000782	C2H3N3O	6	C1	906.935458
dsgdb9nsd_000783	C2H3N3O	6	C1	928.4107847
dsgdb9nsd_000784	C3H4N2O	6	C1	1045.842536
dsgdb9nsd_000785	C2H3N3O	6	C1	927.6817818
dsgdb9nsd_000786	C2H3N3O	6	C1	910.7595762
dsgdb9nsd_000788	C3H3NO2	6	C1	956.5643121
dsgdb9nsd_000789	C2H2N2O2	6	C1	838.7053461
dsgdb9nsd_000791	C5H7NO	7	C1	1405.55418
dsgdb9nsd_000792	C5H7NO	7	C1	1401.759442
dsgdb9nsd_000793	C4H6N2O	7	C1	1311.514289
dsgdb9nsd_000794	C4H7NO2	7	C1	1374.35966
dsgdb9nsd_000799	C3H6N2O2	7	C1	1272.196338
dsgdb9nsd_000802	C5H9NO	7	C1	1554.522639
dsgdb9nsd_000803	C4H8N2O	7	C1	1413.018682
dsgdb9nsd_000804	C4H7NO2	7	C1	1358.7334
dsgdb9nsd_000805	C5H3NO	7	CS	1091.793682
dsgdb9nsd_000806	C5H7NO	7	C1	1399.796385
dsgdb9nsd_000807	C4H5NO2	7	C1	1199.042611
dsgdb9nsd_000810	C5H9NO	7	C1	1554.685854
dsgdb9nsd_000811	C4H8N2O	7	C1	1420.68858
dsgdb9nsd_000812	C4H7NO2	7	C1	1351.530815
dsgdb9nsd_000813	C4H7NO2	7	C1	1357.842123
dsgdb9nsd_000814	C5H7NO	7	C1	1431.432817
dsgdb9nsd_000815	C5H7NO	7	C1	1433.56611
dsgdb9nsd_000816	C4H6N2O	7	C1	1303.929312
dsgdb9nsd_000817	C5H9NO	7	C1	1575.66937
dsgdb9nsd_000818	C4H7NO2	7	C1	1369.971141
dsgdb9nsd_000819	C5H9NO	7	C1	1554.000099
dsgdb9nsd_000820	C4H8N2O	7	C1	1422.409117
dsgdb9nsd_000821	C4H7NO2	7	C1	1353.406704
dsgdb9nsd_000822	C5H7NO	7	C1	1400.746887
dsgdb9nsd_000823	C4H6N2O	7	C1	1264.733073
dsgdb9nsd_000824	C4H5NO2	7	C1	1196.05042
dsgdb9nsd_000826	C3HF3	6	C3V	739.7116374
dsgdb9nsd_000827	C2F3N	6	C3V	641.9815194
dsgdb9nsd_000828	C2HF3O	6	C1	712.3569483
dsgdb9nsd_000829	C2H4F3N	6	C1	925.4707269
dsgdb9nsd_000830	C2H3F3O	6	C1	854.5601956
dsgdb9nsd_000831	C3H5F3	6	CS	1056.864904
dsgdb9nsd_000832	C6H9N	7	C1	1667.94089
dsgdb9nsd_000833	C6H8O	7	C1	1592.569036
dsgdb9nsd_000834	C5H8N2	7	C1	1538.944458
dsgdb9nsd_000835	C5H7NO	7	C1	1463.644561
dsgdb9nsd_000836	C5H7NO	7	C1	1469.437402
dsgdb9nsd_000837	C5H6O2	7	C1	1393.114068
dsgdb9nsd_000838	C5H8N2	7	C1	1540.258325
dsgdb9nsd_000839	C5H7NO	7	C1	1470.927097
dsgdb9nsd_000840	C4H6N2O	7	C1	1358.095687
dsgdb9nsd_000841	C5H7NO	7	C1	1465.478733
dsgdb9nsd_000842	C4H6N2O	7	C1	1351.681975
dsgdb9nsd_000843	C4H5NO2	7	C1	1280.002431
dsgdb9nsd_000844	C5H8N2	7	C1	1550.060513
dsgdb9nsd_000845	C5H7NO	7	C1	1475.298818
dsgdb9nsd_000846	C4H6N2O	7	C1	1348.316679
dsgdb9nsd_000847	C4H6N2O	7	C1	1355.981288
dsgdb9nsd_000848	C4H5NO2	7	C1	1279.842215
dsgdb9nsd_000849	C4H7N3	7	C1	1411.27974
dsgdb9nsd_000850	C4H6N2O	7	C1	1336.717411
dsgdb9nsd_000851	C4H6N2O	7	C1	1341.788742
dsgdb9nsd_000852	C4H5NO2	7	C1	1266.217936
dsgdb9nsd_000853	C4H6N2O	7	C1	1341.908979
dsgdb9nsd_000854	C3H5N3O	7	C1	1231.011271
dsgdb9nsd_000856	C3H5N3O	7	C1	1224.786634
dsgdb9nsd_000857	C3H5N3O	7	C1	1230.644667
dsgdb9nsd_000858	C3H4N2O2	7	C1	1156.354828
dsgdb9nsd_000859	C4H5NO2	7	C1	1272.018214
dsgdb9nsd_000860	C3H4N2O2	7	C1	1163.164178
dsgdb9nsd_000861	C6H9N	7	CS	1669.186672
dsgdb9nsd_000862	C6H8O	7	C2V	1594.988173
dsgdb9nsd_000863	C5H8N2	7	C1	1541.487328
dsgdb9nsd_000864	C5H7NO	7	C1	1467.407717
dsgdb9nsd_000865	C5H7NO	7	C1	1471.881395
dsgdb9nsd_000866	C5H7NO	7	C1	1475.997493
dsgdb9nsd_000867	C4H6N2O	7	C1	1351.97078
dsgdb9nsd_000868	C4H6N2O	7	C1	1357.470838
dsgdb9nsd_000869	C4H5NO2	7	C1	1282.693957
dsgdb9nsd_000870	C4H6N2O	7	C1	1347.639101
dsgdb9nsd_000871	C4H6N2O	7	C1	1350.932214
dsgdb9nsd_000872	C4H7N3	7	C1	1413.499147
dsgdb9nsd_000873	C4H6N2O	7	C1	1339.746952
dsgdb9nsd_000875	C4H5NO2	7	C1	1270.321214
dsgdb9nsd_000876	C3H5N3O	7	C1	1224.006658
dsgdb9nsd_000877	C3H5N3O	7	C1	1229.059265
dsgdb9nsd_000878	C3H4N2O2	7	C1	1154.923435
dsgdb9nsd_000879	C4H5NO2	7	C1	1273.512188
dsgdb9nsd_000880	C3H4N2O2	7	C1	1158.116071
dsgdb9nsd_000881	C4H6N2O	7	C1	1342.567488
dsgdb9nsd_000882	C4H6N2O	7	C1	1366.682659
dsgdb9nsd_000883	C4H5NO2	7	C1	1292.722256
dsgdb9nsd_000884	C4H6N2O	7	C1	1341.777208
dsgdb9nsd_000885	C4H5NO2	7	C1	1267.531652
dsgdb9nsd_000886	C4H5NO2	7	C1	1291.710911
dsgdb9nsd_000887	C4H4O3	7	C1	1217.311195
dsgdb9nsd_000888	C3H5N3O	7	C1	1213.410684
dsgdb9nsd_000889	C3H5N3O	7	C1	1237.488775
dsgdb9nsd_000890	C3H4N2O2	7	C1	1163.833028
dsgdb9nsd_000891	C3H4N2O2	7	C1	1139.641884
dsgdb9nsd_000892	C3H4N2O2	7	C1	1162.602451
dsgdb9nsd_000893	C3H3NO3	7	C1	1088.519074
dsgdb9nsd_000894	C3H4N2O2	7	C1	1143.330034
dsgdb9nsd_000895	C3H4N2O2	7	C1	1166.70795
dsgdb9nsd_000896	C3H3NO3	7	C1	1093.777428
dsgdb9nsd_000897	C3H4N2O2	7	C1	1141.763142
dsgdb9nsd_000898	C3H3NO3	7	C1	1068.068151
dsgdb9nsd_000899	C3H2O4	7	C1	1017.509001
dsgdb9nsd_000900	C6H9N	7	C1	1660.634602
dsgdb9nsd_000901	C5H8N2	7	C1	1531.744722
dsgdb9nsd_000902	C5H7NO	7	C1	1462.353184
dsgdb9nsd_000903	C5H8N2	7	C1	1541.460684
dsgdb9nsd_000904	C4H7N3	7	C1	1415.136614
dsgdb9nsd_000905	C4H6N2O	7	C1	1347.872986
dsgdb9nsd_000906	C4H4N2O	7	CS	1200.013757
dsgdb9nsd_000908	C3H3N3O	7	CS	1075.145259
dsgdb9nsd_000909	C5H5NO	7	CS	1342.385271
dsgdb9nsd_000910	C4H4N2O	7	C1	1218.28194
dsgdb9nsd_000911	C5H4O2	7	CS	1261.905948
dsgdb9nsd_000912	C4H3NO2	7	C1	1139.698473
dsgdb9nsd_000913	C3H2N2O2	7	CS	1015.927476
dsgdb9nsd_000914	C3H4N4	7	C1	1157.915902
dsgdb9nsd_000915	C5H5NO	7	CS	1325.020935
dsgdb9nsd_000916	C4H4N2O	7	C1	1194.78265
dsgdb9nsd_000917	C4H4N2O	7	C1	1192.019305
dsgdb9nsd_000918	C4H4N2O	7	CS	1202.593104
dsgdb9nsd_000919	C3H3N3O	7	C1	1074.965999
dsgdb9nsd_000920	C5H5NO	7	CS	1351.877846
dsgdb9nsd_000921	C4H4N2O	7	CS	1223.281734
dsgdb9nsd_000922	C4H4N2O	7	CS	1217.540807
dsgdb9nsd_000923	C4H4N2O	7	CS	1227.321371
dsgdb9nsd_000924	C3H3N3O	7	C1	1101.44518
dsgdb9nsd_000925	C5H4O2	7	CS	1270.758526
dsgdb9nsd_000926	C4H3NO2	7	C1	1141.353429
dsgdb9nsd_000927	C4H3NO2	7	CS	1135.903534
dsgdb9nsd_000928	C4H3NO2	7	CS	1147.731323
dsgdb9nsd_000929	C3H2N2O2	7	C1	1020.849554
dsgdb9nsd_000930	C7H8	7	C1	1667.031271
dsgdb9nsd_000931	C6H7N	7	C1	1537.914797
dsgdb9nsd_000932	C6H7N	7	C1	1537.276714
dsgdb9nsd_000933	C5H6N2	7	CS	1407.193505
dsgdb9nsd_000934	C5H6N2	7	C1	1409.833864
dsgdb9nsd_000935	C6H7N	7	C1	1539.076386
dsgdb9nsd_000936	C5H6N2	7	C1	1412.452223
dsgdb9nsd_000938	C5H6N2	7	C1	1412.444555
dsgdb9nsd_000940	C6H7N	7	CS	1542.596834
dsgdb9nsd_000941	C5H6N2	7	C1	1412.111874
dsgdb9nsd_000942	C4H5N3	7	C1	1286.522707
dsgdb9nsd_000943	C4H5N3	7	CS	1284.128927
dsgdb9nsd_000944	C5H6N2	7	C1	1418.949651
dsgdb9nsd_000946	C4H5N3	7	C1	1286.522644
dsgdb9nsd_000947	C4H5N3	7	C1	1294.316381
dsgdb9nsd_000948	C3H4N4	7	C2V	1174.175433
dsgdb9nsd_000949	C6H6O	7	C1	1473.621654
dsgdb9nsd_000950	C5H5NO	7	CS	1345.355506
dsgdb9nsd_000951	C5H5NO	7	CS	1342.308841
dsgdb9nsd_000952	C4H4N2O	7	CS	1219.393874
dsgdb9nsd_000953	C4H4N2O	7	CS	1213.978699
dsgdb9nsd_000954	C5H5NO	7	CS	1352.802939
dsgdb9nsd_000955	C4H4N2O	7	C1	1226.561827
dsgdb9nsd_000956	C4H4N2O	7	CS	1219.393886
dsgdb9nsd_000957	C4H4N2O	7	CS	1226.939776
dsgdb9nsd_000958	C3H3N3O	7	CS	1103.149019
dsgdb9nsd_000959	C6H9N	7	C1	1667.726802
dsgdb9nsd_000960	C6H8O	7	C1	1592.372726
dsgdb9nsd_000961	C5H8N2	7	C1	1548.328907
dsgdb9nsd_000962	C5H7NO	7	C1	1473.877415
dsgdb9nsd_000963	C5H8N2	7	C1	1538.863572
dsgdb9nsd_000964	C5H7NO	7	C1	1463.227982
dsgdb9nsd_000965	C4H6N2O	7	C1	1346.512044
dsgdb9nsd_000966	C5H8N2	7	C1	1540.522174
dsgdb9nsd_000967	C5H7NO	7	C1	1464.665444
dsgdb9nsd_000968	C4H6N2O	7	C1	1346.230725
dsgdb9nsd_000969	C5H7NO	7	C1	1469.780035
dsgdb9nsd_000970	C5H6O2	7	C1	1393.168034
dsgdb9nsd_000971	C4H6N2O	7	C1	1354.563737
dsgdb9nsd_000972	C4H5NO2	7	C1	1278.368164
dsgdb9nsd_000973	C5H7NO	7	C1	1470.368476
dsgdb9nsd_000974	C4H6N2O	7	C1	1349.602729
dsgdb9nsd_000975	C4H6N2O	7	C1	1337.603385
dsgdb9nsd_000976	C3H5N3O	7	C1	1218.954918
dsgdb9nsd_000977	C4H6N2O	7	C1	1342.296284
dsgdb9nsd_000978	C4H5NO2	7	C1	1265.032853
dsgdb9nsd_000979	C3H5N3O	7	C1	1226.596102
dsgdb9nsd_000980	C3H4N2O2	7	C1	1149.251251
dsgdb9nsd_000981	C4H6N2O	7	C1	1344.15392
dsgdb9nsd_000982	C3H5N3O	7	CS	1224.911088
dsgdb9nsd_000983	C4H5NO2	7	C1	1265.733474
dsgdb9nsd_000984	C4H5NO2	7	C1	1271.750982
dsgdb9nsd_000985	C3H4N2O2	7	C1	1154.315347
dsgdb9nsd_000986	C6H9N	7	C1	1667.082758
dsgdb9nsd_000987	C5H8N2	7	C1	1538.200031
dsgdb9nsd_000988	C5H7NO	7	C1	1468.542141
dsgdb9nsd_000989	C6H8O	7	C1	1590.387894
dsgdb9nsd_000990	C5H7NO	7	C1	1461.578436
dsgdb9nsd_000991	C4H7N3	7	C1	1409.822431
dsgdb9nsd_000992	C4H6N2O	7	C1	1341.359256
dsgdb9nsd_000993	C4H6N2O	7	C1	1333.415412
dsgdb9nsd_000994	C4H5NO2	7	C1	1269.713346
dsgdb9nsd_000995	C6H9N	7	C1	1662.144509
dsgdb9nsd_000996	C5H8N2	7	C1	1534.489467
dsgdb9nsd_000997	C5H7NO	7	C1	1465.15507
dsgdb9nsd_000998	C5H8N2	7	C1	1542.361794
dsgdb9nsd_000999	C4H6N2O	7	C1	1350.631443
dsgdb9nsd_001000	C5H8N2	7	C1	1541.211669
dsgdb9nsd_001001	C4H6N2O	7	C1	1342.923016
dsgdb9nsd_001002	C4H6N2O	7	C1	1359.948735
dsgdb9nsd_001003	C4H6N2O	7	C1	1334.249322
dsgdb9nsd_001004	C4H5NO2	7	C1	1284.402233
dsgdb9nsd_001005	C6H5N	7	C1	1364.849766
dsgdb9nsd_001006	C6H4O	7	CS	1285.346195
dsgdb9nsd_001007	C5H4N2	7	CS	1242.225167
dsgdb9nsd_001008	C5H3NO	7	CS	1163.833354
dsgdb9nsd_001009	C5H4N2	7	C1	1240.898995
dsgdb9nsd_001010	C5H3NO	7	CS	1161.995235
dsgdb9nsd_001011	C5H4N2	7	C1	1273.360563
dsgdb9nsd_001012	C5H3NO	7	C1	1192.235363
dsgdb9nsd_001013	C4H3N3	7	CS	1149.578547
dsgdb9nsd_001014	C4H2N2O	7	CS	1069.416449
dsgdb9nsd_001015	C4H3N3	7	C1	1147.506818
dsgdb9nsd_001016	C4H2N2O	7	C1	1066.66172
dsgdb9nsd_001017	C6H5N	7	CS	1364.55175
dsgdb9nsd_001019	C6H4O	7	CS	1285.426799
dsgdb9nsd_001020	C5H3NO	7	CS	1163.412007
dsgdb9nsd_001021	C5H4N2	7	CS	1274.846436
dsgdb9nsd_001022	C4H3N3	7	C1	1150.23725
dsgdb9nsd_001023	C5H3NO	7	C1	1194.007136
dsgdb9nsd_001024	C4H2N2O	7	CS	1070.495703
dsgdb9nsd_001025	C5H5NO	7	C1	1338.399224
dsgdb9nsd_001026	C5H4O2	7	C1	1258.969781
dsgdb9nsd_001027	C4H4N2O	7	C1	1214.390571
dsgdb9nsd_001028	C4H3NO2	7	C1	1136.627272
dsgdb9nsd_001029	C4H4N2O	7	C1	1211.569169
dsgdb9nsd_001030	C4H3NO2	7	C1	1133.241871
dsgdb9nsd_001031	C5H5NO	7	C1	1338.882783
dsgdb9nsd_001032	C4H4N2O	7	C1	1213.896614
dsgdb9nsd_001033	C5H4O2	7	C1	1258.003743
dsgdb9nsd_001034	C4H3NO2	7	C1	1135.156842
dsgdb9nsd_001035	C5H5NO	7	CS	1340.892307
dsgdb9nsd_001036	C4H4N2O	7	C1	1215.935958
dsgdb9nsd_001037	C4H6N2O	7	C1	1329.259065
dsgdb9nsd_001038	C4H5NO2	7	C1	1253.746367
dsgdb9nsd_001039	C6H9N	7	C1	1666.065025
dsgdb9nsd_001040	C6H8O	7	C1	1590.122514
dsgdb9nsd_001041	C5H7NO	7	C1	1469.566726
dsgdb9nsd_001042	C5H8N2	7	C1	1546.098864
dsgdb9nsd_001043	C5H7NO	7	C1	1470.702505
dsgdb9nsd_001044	C5H8N2	7	C1	1531.118662
dsgdb9nsd_001045	C5H7NO	7	C1	1455.568187
dsgdb9nsd_001046	C4H6N2O	7	C1	1334.325891
dsgdb9nsd_001047	C4H6N2O	7	C1	1340.986346
dsgdb9nsd_001048	C5H7NO	7	C1	1459.707234
dsgdb9nsd_001049	C5H6O2	7	C1	1382.2182
dsgdb9nsd_001050	C4H6N2O	7	C1	1337.001824
dsgdb9nsd_001051	C4H5NO2	7	C1	1260.352868
dsgdb9nsd_001052	C4H6N2O	7	C1	1343.787002
dsgdb9nsd_001053	C4H5NO2	7	C1	1267.702919
dsgdb9nsd_001054	C4H6N2O	7	C1	1341.185059
dsgdb9nsd_001055	C5H7NO	7	C1	1468.615578
dsgdb9nsd_001056	C5H6O2	7	C1	1390.86855
dsgdb9nsd_001057	C4H6N2O	7	C1	1346.735851
dsgdb9nsd_001058	C4H5NO2	7	C1	1269.675325
dsgdb9nsd_001059	C4H6N2O	7	C1	1348.880967
dsgdb9nsd_001060	C4H5NO2	7	C1	1272.274288
dsgdb9nsd_001061	C6H9N	7	C1	1664.912397
dsgdb9nsd_001062	C5H8N2	7	C1	1545.348701
dsgdb9nsd_001063	C6H8O	7	C1	1587.582073
dsgdb9nsd_001064	C5H7NO	7	C1	1468.847449
dsgdb9nsd_001065	C5H8N2	7	C1	1530.003578
dsgdb9nsd_001066	C4H7N3	7	C1	1412.595646
dsgdb9nsd_001067	C5H7NO	7	C1	1452.945229
dsgdb9nsd_001068	C4H6N2O	7	C1	1336.137159
dsgdb9nsd_001069	C5H7NO	7	C1	1457.111365
dsgdb9nsd_001070	C4H6N2O	7	C1	1339.65664
dsgdb9nsd_001071	C5H6O2	7	C1	1379.552327
dsgdb9nsd_001072	C4H5NO2	7	C1	1261.77712
dsgdb9nsd_001073	C5H7NO	7	C1	1467.615924
dsgdb9nsd_001074	C4H6N2O	7	C1	1347.08757
dsgdb9nsd_001075	C5H6O2	7	C1	1389.408342
dsgdb9nsd_001076	C4H5NO2	7	C1	1270.146685
dsgdb9nsd_001077	C6H9N	7	C1	1661.060907
dsgdb9nsd_001078	C5H8N2	7	C1	1539.62289
dsgdb9nsd_001079	C6H7N	7	C1	1499.191204
dsgdb9nsd_001080	C5H6N2	7	C1	1375.879846
dsgdb9nsd_001081	C5H6N2	7	C1	1377.048902
dsgdb9nsd_001082	C7H12	7	C1	1891.997982
dsgdb9nsd_001084	C7H12	7	C1	1889.063647
dsgdb9nsd_001085	C6H11N	7	C1	1800.327899
dsgdb9nsd_001086	C6H10O	7	C1	1694.298134
dsgdb9nsd_001087	C5H9NO	7	C1	1605.049491
dsgdb9nsd_001108	C4H8N2O	7	C1	1492.786121
dsgdb9nsd_001109	C3H7N3O	7	C1	1376.635116
dsgdb9nsd_001110	C4H7NO2	7	C1	1419.173716
dsgdb9nsd_001111	C3H6N2O2	7	C1	1306.404661
dsgdb9nsd_001112	C5H8O2	7	C1	1540.301994
dsgdb9nsd_001113	C4H7NO2	7	C1	1431.140573
dsgdb9nsd_001114	C4H7NO2	7	C1	1430.541784
dsgdb9nsd_001115	C3H7N3O	7	C1	1376.899066
dsgdb9nsd_001116	C3H6N2O2	7	C1	1314.815918
dsgdb9nsd_001117	C3H6N2O2	7	C1	1307.841702
dsgdb9nsd_001118	C3H6N2O2	7	C1	1321.56194
dsgdb9nsd_001119	C2H5N3O2	7	C2	1199.280098
dsgdb9nsd_001134	C5H9NO	7	C1	1595.223382
dsgdb9nsd_001135	C6H10O	7	CS	1718.085519
dsgdb9nsd_001136	C5H9NO	7	C1	1606.878926
dsgdb9nsd_001137	C5H8O2	7	C1	1542.195196
dsgdb9nsd_001138	C5H8O2	7	C1	1523.594748
dsgdb9nsd_001149	C7H12	7	C1	1881.270023
dsgdb9nsd_001150	C6H10O	7	C2	1678.461469
dsgdb9nsd_001151	C6H10O	7	C1	1687.47238
dsgdb9nsd_001152	C5H8O2	7	C1	1491.248949
dsgdb9nsd_001153	C7H8	7	C2V	1580.731584
dsgdb9nsd_001154	C6H7N	7	C1	1490.31529
dsgdb9nsd_001155	C5H6N2	7	C2	1397.751483
dsgdb9nsd_001156	C5H6N2	7	C1	1360.2555
dsgdb9nsd_001157	C4H5N3	7	C1	1266.793362
dsgdb9nsd_001158	C6H6O	7	C1	1382.860042
dsgdb9nsd_001159	C5H5NO	7	C1	1291.00271
dsgdb9nsd_001160	C4H4N2O	7	C1	1196.67151
dsgdb9nsd_001161	C6H8O	7	C1	1555.833488
dsgdb9nsd_001162	C5H7NO	7	C1	1464.649624
dsgdb9nsd_001163	C5H6O2	7	C1	1357.646974
dsgdb9nsd_001164	C4H5NO2	7	C1	1264.423761
dsgdb9nsd_001165	C5H8O2	7	C1	1527.782621
dsgdb9nsd_001166	C4H6O3	7	C1	1335.261677
dsgdb9nsd_001167	C6H10O	7	C1	1690.617853
dsgdb9nsd_001168	C5H9NO	7	C1	1601.150749
dsgdb9nsd_001169	C4H9N3	7	C1	1540.992223
dsgdb9nsd_001170	C4H8N2O	7	C1	1475.057886
dsgdb9nsd_001171	C4H8N2O	7	C1	1474.218322
dsgdb9nsd_001172	C5H8O2	7	C1	1496.56984
dsgdb9nsd_001173	C4H7NO2	7	C1	1403.771206
dsgdb9nsd_001174	C7H12	7	C1	1886.550773
dsgdb9nsd_001175	C6H11N	7	C1	1797.653586
dsgdb9nsd_001176	C5H10N2	7	C1	1668.110173
dsgdb9nsd_001177	C6H10O	7	C1	1691.640976
dsgdb9nsd_001178	C5H9NO	7	C1	1601.167761
dsgdb9nsd_001179	C5H10N2	7	C1	1660.287025
dsgdb9nsd_001180	C6H10O	7	C1	1678.214243
dsgdb9nsd_001181	C5H9NO	7	C1	1588.018663
dsgdb9nsd_001196	C5H7NO	7	C1	1455.496482
dsgdb9nsd_001197	C7H12	7	C1	1890.97137
dsgdb9nsd_001198	C6H10O	7	C1	1696.227462
dsgdb9nsd_001199	C6H4O	7	C1	1258.944128
dsgdb9nsd_001200	C5H3NO	7	C1	1162.238991
dsgdb9nsd_001201	C5H3NO	7	CS	1147.147356
dsgdb9nsd_001202	C4H2N2O	7	C1	1050.604555
dsgdb9nsd_001203	C5H4O2	7	C1	1224.778727
dsgdb9nsd_001204	C4H3NO2	7	C1	1113.039027
dsgdb9nsd_001205	C5H7NO	7	C1	1427.567189
dsgdb9nsd_001206	C4H6N2O	7	C1	1331.842572
dsgdb9nsd_001207	C6H8O	7	C1	1561.792832
dsgdb9nsd_001208	C5H7NO	7	C1	1472.404556
dsgdb9nsd_001209	C5H7NO	7	C1	1444.01959
dsgdb9nsd_001210	C4H6N2O	7	C1	1352.999576
dsgdb9nsd_001211	C5H6O2	7	C1	1373.226623
dsgdb9nsd_001213	C5H7NO	7	C1	1450.744026
dsgdb9nsd_001215	C4H6N2O	7	C1	1327.417363
dsgdb9nsd_001217	C4H5NO2	7	C1	1258.026433
dsgdb9nsd_001218	C3H4N2O2	7	C1	1166.269491
dsgdb9nsd_001219	C4H7NO2	7	C1	1400.848468
dsgdb9nsd_001220	C5H8O2	7	C1	1533.328148
dsgdb9nsd_001221	C4H7NO2	7	C1	1421.857787
dsgdb9nsd_001222	C4H7NO2	7	C1	1396.853027
dsgdb9nsd_001223	C4H6O3	7	C1	1342.455741
dsgdb9nsd_001224	C4H7NO2	7	C1	1417.561757
dsgdb9nsd_001225	C4H6O3	7	C1	1346.996443
dsgdb9nsd_001226	C4H7NO2	7	C1	1422.487436
dsgdb9nsd_001227	C3H6N2O2	7	C1	1310.860142
dsgdb9nsd_001228	C3H6N2O2	7	C1	1285.51615
dsgdb9nsd_001229	C3H5NO3	7	C1	1231.169987
dsgdb9nsd_001230	C3H6N2O2	7	C1	1300.8132
dsgdb9nsd_001231	C3H5NO3	7	C1	1232.125427
dsgdb9nsd_001232	C3H6N2O2	7	C1	1299.117669
dsgdb9nsd_001233	C7H8	7	C1	1588.931915
dsgdb9nsd_001234	C6H7N	7	C1	1495.255321
dsgdb9nsd_001235	C6H6O	7	C1	1390.945427
dsgdb9nsd_001236	C5H5NO	7	C1	1296.216749
dsgdb9nsd_001237	C6H8O	7	C1	1555.924947
dsgdb9nsd_001238	C5H6O2	7	C1	1357.726655
dsgdb9nsd_001239	C7H12	7	C1	1885.862226
dsgdb9nsd_001240	C6H11N	7	C1	1796.933857
dsgdb9nsd_001241	C5H10N2	7	C1	1660.879268
dsgdb9nsd_001242	C6H10O	7	C1	1679.648416
dsgdb9nsd_001243	C5H9NO	7	C1	1588.924398
dsgdb9nsd_001244	C6H10O	7	C1	1691.64823
dsgdb9nsd_001245	C5H9NO	7	C1	1602.745922
dsgdb9nsd_001246	C5H10N2	7	C1	1655.245632
dsgdb9nsd_001255	C4H8N2O	7	C1	1484.905304
dsgdb9nsd_001256	C3H7N3O	7	C1	1368.978321
dsgdb9nsd_001257	C4H7NO2	7	C1	1410.503022
dsgdb9nsd_001258	C3H6N2O2	7	C1	1296.368481
dsgdb9nsd_001259	C3H6N2O2	7	C1	1299.05426
dsgdb9nsd_001261	C5H6O2	7	C1	1360.232357
dsgdb9nsd_001262	C6H8O	7	C1	1562.430413
dsgdb9nsd_001263	C5H7NO	7	C1	1450.658471
dsgdb9nsd_001265	C4H5NO2	7	C1	1248.78913
dsgdb9nsd_001266	C6H10O	7	C1	1688.864529
dsgdb9nsd_001267	C5H8O2	7	C1	1493.224047
dsgdb9nsd_001268	C7H12	7	C1	1889.760553
dsgdb9nsd_001269	C6H10O	7	C1	1692.801881
dsgdb9nsd_001301	C6H10O	7	C1	1718.370641
dsgdb9nsd_001302	C5H9NO	7	C1	1604.866176
dsgdb9nsd_001303	C5H9NO	7	C1	1590.24619
dsgdb9nsd_001304	C5H8O2	7	CS	1537.09392
dsgdb9nsd_001305	C5H9NO	7	C1	1585.529835
dsgdb9nsd_001306	C5H8O2	7	C1	1517.524447
dsgdb9nsd_001307	C4H7NO2	7	C1	1407.538962
dsgdb9nsd_001308	C5H8O2	7	C1	1522.831803
dsgdb9nsd_001309	C4H7NO2	7	C1	1408.609179
dsgdb9nsd_001310	C4H7NO2	7	C1	1393.904586
dsgdb9nsd_001311	C4H6O3	7	C1	1339.723828
dsgdb9nsd_001320	C7H10	7	C1	1737.852796
dsgdb9nsd_001321	C6H9N	7	C1	1648.770242
dsgdb9nsd_001322	C6H9N	7	C1	1605.973279
dsgdb9nsd_001323	C5H8N2	7	C1	1515.602919
dsgdb9nsd_001324	C6H8O	7	C1	1538.761521
dsgdb9nsd_001325	C5H7NO	7	C1	1447.081077
dsgdb9nsd_001326	C6H8O	7	C1	1541.345316
dsgdb9nsd_001327	C5H7NO	7	C1	1451.664382
dsgdb9nsd_001328	C6H10O	7	C1	1711.007369
dsgdb9nsd_001329	C5H9NO	7	C1	1585.092775
dsgdb9nsd_001330	C5H9NO	7	C1	1579.94827
dsgdb9nsd_001331	C5H8O2	7	C1	1510.189187
dsgdb9nsd_001332	C5H8O2	7	C1	1513.867924
dsgdb9nsd_001343	C7H12	7	CS	1916.434972
dsgdb9nsd_001344	C5H9NO	7	C1	1603.432788
dsgdb9nsd_001345	C6H10O	7	C1	1722.443817
dsgdb9nsd_001346	C7H12	7	C1	1916.316799
dsgdb9nsd_001347	C5H9NO	7	C1	1601.491644
dsgdb9nsd_001348	C6H10O	7	C1	1716.053951
dsgdb9nsd_001349	C6H10O	7	C1	1722.198323
dsgdb9nsd_001364	C6H4O	7	C1	1250.127601
dsgdb9nsd_001365	C5H3NO	7	C1	1154.625054
dsgdb9nsd_001366	C5H3NO	7	C1	1158.643085
dsgdb9nsd_001367	C4H2N2O	7	C1	1061.468639
dsgdb9nsd_001368	C5H4O2	7	C1	1222.067798
dsgdb9nsd_001369	C4H3NO2	7	C1	1124.287059
dsgdb9nsd_001370	C4H4N2O	7	C1	1173.536979
dsgdb9nsd_001371	C4H3NO2	7	C1	1103.492919
dsgdb9nsd_001372	C3H2N2O2	7	C1	1006.803815
dsgdb9nsd_001373	C3H4N4	7	C1	1143.393092
dsgdb9nsd_001374	C4H4N2O	7	C1	1172.548137
dsgdb9nsd_001375	C4H3NO2	7	C1	1103.236688
dsgdb9nsd_001376	C3H2N2O2	7	C1	1005.930246
dsgdb9nsd_001377	C4H3NO2	7	C1	1114.963718
dsgdb9nsd_001378	C3H4N2O2	7	C1	1144.50261
dsgdb9nsd_001379	C3H3NO3	7	C1	1076.480869
dsgdb9nsd_001380	C3H5N3O	7	C1	1209.907254
dsgdb9nsd_001381	C3H4N2O2	7	C1	1140.405902
dsgdb9nsd_001382	C3H3NO3	7	C1	1073.269307
dsgdb9nsd_001383	C3H3NO3	7	C1	1082.203637
dsgdb9nsd_001385	C5H3NO	7	C1	1157.476802
dsgdb9nsd_001386	C5H4O2	7	C1	1221.784974
dsgdb9nsd_001387	C7H8	7	C1	1583.773467
dsgdb9nsd_001388	C6H7N	7	C1	1493.790914
dsgdb9nsd_001389	C5H6N2	7	C1	1362.126024
dsgdb9nsd_001390	C6H6O	7	C1	1384.091278
dsgdb9nsd_001391	C5H5NO	7	C1	1292.505501
dsgdb9nsd_001392	C6H8O	7	C1	1558.388029
dsgdb9nsd_001393	C5H6O2	7	C1	1361.474123
dsgdb9nsd_001394	C7H8	7	C1	1582.845638
dsgdb9nsd_001395	C6H7N	7	C1	1492.956741
dsgdb9nsd_001396	C6H7N	7	C1	1493.128659
dsgdb9nsd_001397	C5H6N2	7	C1	1401.945198
dsgdb9nsd_001398	C5H6N2	7	C1	1361.950654
dsgdb9nsd_001399	C5H6N2	7	C1	1363.094629
dsgdb9nsd_001400	C4H5N3	7	C1	1271.006129
dsgdb9nsd_001401	C6H6O	7	C1	1383.646506
dsgdb9nsd_001402	C5H5NO	7	C1	1291.900727
dsgdb9nsd_001403	C5H5NO	7	C1	1293.390378
dsgdb9nsd_001404	C4H4N2O	7	C1	1200.147304
dsgdb9nsd_001405	C6H8O	7	C1	1554.43662
dsgdb9nsd_001406	C5H7NO	7	C1	1466.349227
dsgdb9nsd_001407	C5H7NO	7	C1	1433.633831
dsgdb9nsd_001408	C4H6N2O	7	C1	1341.792658
dsgdb9nsd_001409	C5H6O2	7	C1	1361.228691
dsgdb9nsd_001410	C4H5NO2	7	C1	1268.587362
dsgdb9nsd_001411	C6H8O	7	C1	1554.028362
dsgdb9nsd_001412	C5H7NO	7	C1	1463.664277
dsgdb9nsd_001413	C5H7NO	7	C1	1440.941242
dsgdb9nsd_001414	C4H6N2O	7	C1	1349.409851
dsgdb9nsd_001415	C5H7NO	7	C1	1420.236485
dsgdb9nsd_001416	C4H6N2O	7	C1	1328.029429
dsgdb9nsd_001417	C5H6O2	7	C1	1365.284706
dsgdb9nsd_001418	C4H5NO2	7	C1	1272.204201
dsgdb9nsd_001419	C5H6O2	7	C1	1355.603552
dsgdb9nsd_001420	C4H5NO2	7	C1	1263.896772
dsgdb9nsd_001421	C5H8O2	7	C1	1526.11086
dsgdb9nsd_001422	C4H7NO2	7	C1	1414.232003
dsgdb9nsd_001423	C4H7NO2	7	C1	1393.15736
dsgdb9nsd_001424	C4H6O3	7	C1	1338.285507
dsgdb9nsd_001425	C4H7NO2	7	C1	1406.228157
dsgdb9nsd_001426	C4H6O3	7	C1	1332.293049
dsgdb9nsd_001427	C4H8N2O	7	C1	1479.665914
dsgdb9nsd_001428	C4H7NO2	7	C1	1406.266473
dsgdb9nsd_001429	C3H7N3O	7	C1	1364.672802
dsgdb9nsd_001430	C4H8N2O	7	C1	1475.563614
dsgdb9nsd_001434	C5H6O2	7	C1	1373.702237
dsgdb9nsd_001435	C6H8O	7	C1	1558.90034
dsgdb9nsd_001436	C5H7NO	7	C1	1468.320009
dsgdb9nsd_001437	C5H7NO	7	C1	1445.647337
dsgdb9nsd_001438	C4H6N2O	7	C1	1354.970727
dsgdb9nsd_001439	C5H6O2	7	C1	1371.859361
dsgdb9nsd_001440	C4H5NO2	7	C1	1280.875981
dsgdb9nsd_001441	C5H6O2	7	C1	1356.456538
dsgdb9nsd_001442	C4H5NO2	7	C1	1265.430092
dsgdb9nsd_001443	C4H8N2O	7	C1	1486.791962
dsgdb9nsd_001444	C5H8O2	7	C1	1532.515937
dsgdb9nsd_001445	C4H8N2O	7	C1	1490.567944
dsgdb9nsd_001446	C4H7NO2	7	C1	1424.859868
dsgdb9nsd_001448	C4H7NO2	7	C1	1416.743691
dsgdb9nsd_001449	C3H7N3O	7	C1	1372.129605
dsgdb9nsd_001450	C3H6N2O2	7	C1	1302.943256
dsgdb9nsd_001451	C3H6N2O2	7	C1	1296.526482
dsgdb9nsd_001452	C3H6N2O2	7	C1	1284.903161
dsgdb9nsd_001453	C4H6O3	7	C1	1345.374269
dsgdb9nsd_001454	C3H6N2O2	7	C1	1291.86622
dsgdb9nsd_001455	C3H5NO3	7	C1	1235.154867
dsgdb9nsd_001456	C3H6N2O2	7	CS	1295.685067
dsgdb9nsd_001457	C3H6N2O2	7	C1	1286.637698
dsgdb9nsd_001458	C3H6N2O2	7	C1	1291.070004
dsgdb9nsd_001459	C4H6O3	7	C1	1330.534993
dsgdb9nsd_001461	C3H5NO3	7	C1	1221.367027
dsgdb9nsd_001462	C3H5NO3	7	C1	1213.864674
dsgdb9nsd_001463	C6H10O	7	C1	1693.367669
dsgdb9nsd_001464	C5H8O2	7	C1	1498.032458
dsgdb9nsd_001465	C7H12	7	C1	1889.682297
dsgdb9nsd_001467	C6H10O	7	C1	1681.281974
dsgdb9nsd_001468	C6H10O	7	C1	1689.171274
dsgdb9nsd_001469	C5H9NO	7	C1	1600.005852
dsgdb9nsd_001470	C7H12	7	C1	1886.155254
dsgdb9nsd_001471	C6H11N	7	C1	1797.343345
dsgdb9nsd_001472	C6H10O	7	C1	1690.104971
dsgdb9nsd_001473	C5H9NO	7	C1	1600.636003
dsgdb9nsd_001474	C5H10N2	7	C1	1653.948407
dsgdb9nsd_001475	C6H10O	7	C1	1680.365045
dsgdb9nsd_001476	C5H9NO	7	C1	1591.416809
dsgdb9nsd_001477	C5H8O2	7	C1	1497.064456
dsgdb9nsd_001478	C4H7NO2	7	C1	1403.026127
dsgdb9nsd_001489	C4H7N3	7	C1	1401.612404
dsgdb9nsd_001490	C4H8N2O	7	C1	1472.863962
dsgdb9nsd_001491	C6H8O	7	C1	1556.728705
dsgdb9nsd_001492	C5H7NO	7	C1	1462.313456
dsgdb9nsd_001493	C4H7N3	7	C1	1404.698841
dsgdb9nsd_001494	C5H7NO	7	C1	1441.922146
dsgdb9nsd_001495	C5H7NO	7	C1	1426.522203
dsgdb9nsd_001496	C4H6N2O	7	C1	1332.397598
dsgdb9nsd_001497	C5H6O2	7	C1	1370.049592
dsgdb9nsd_001498	C4H5NO2	7	C1	1274.767565
dsgdb9nsd_001499	C4H6N2O	7	C1	1325.610424
dsgdb9nsd_001500	C5H6O2	7	C1	1345.285187
dsgdb9nsd_001501	C4H5NO2	7	C1	1250.231485
dsgdb9nsd_001502	C5H6O2	7	C1	1359.226409
dsgdb9nsd_001504	C5H8O2	7	C1	1528.501452
dsgdb9nsd_001505	C4H8N2O	7	C1	1469.721689
dsgdb9nsd_001506	C4H7NO2	7	C1	1416.94302
dsgdb9nsd_001507	C4H7NO2	7	C1	1400.122941
dsgdb9nsd_001508	C4H6O3	7	C1	1341.331739
dsgdb9nsd_001509	C4H6O3	7	C1	1316.944537
dsgdb9nsd_001510	C4H6O3	7	C1	1326.17047
dsgdb9nsd_001537	C6H10O	7	C1	1687.624489
dsgdb9nsd_001538	C5H9NO	7	C1	1598.273085
dsgdb9nsd_001539	C7H12	7	C1	1885.349626
dsgdb9nsd_001540	C6H11N	7	C1	1796.407822
dsgdb9nsd_001541	C5H10N2	7	C1	1667.36269
dsgdb9nsd_001542	C6H10O	7	C1	1688.274821
dsgdb9nsd_001543	C5H9NO	7	C1	1597.45079
dsgdb9nsd_001544	C5H10N2	7	C1	1660.141537
dsgdb9nsd_001545	C6H10O	7	C1	1679.486412
dsgdb9nsd_001546	C5H9NO	7	C1	1588.975113
dsgdb9nsd_001547	C4H8N2O	7	C1	1463.300447
dsgdb9nsd_001548	C6H10O	7	C1	1679.564556
dsgdb9nsd_001549	C5H9NO	7	C1	1590.008935
dsgdb9nsd_001550	C4H8N2O	7	C1	1459.4551
dsgdb9nsd_001551	C5H8O2	7	C1	1480.08964
dsgdb9nsd_001552	C4H7NO2	7	C1	1388.846332
dsgdb9nsd_001553	C4H8N2O	7	C1	1469.659315
dsgdb9nsd_001554	C5H8O2	7	C1	1490.796753
dsgdb9nsd_001555	C4H7NO2	7	C1	1399.520262
dsgdb9nsd_001582	C5H4O2	7	C1	1226.056362
dsgdb9nsd_001583	C4H3NO2	7	C1	1129.578477
dsgdb9nsd_001584	C4H4N2O	7	C1	1172.646531
dsgdb9nsd_001585	C3H3N3O	7	C1	1077.242277
dsgdb9nsd_001586	C4H3NO2	7	C1	1117.103255
dsgdb9nsd_001587	C4H4O3	7	C1	1194.334433
dsgdb9nsd_001588	C3H4N2O2	7	C1	1141.923139
dsgdb9nsd_001589	C3H3NO3	7	C1	1085.029249
dsgdb9nsd_001590	C5H6O2	7	C1	1364.265486
dsgdb9nsd_001591	C4H5NO2	7	C1	1272.168533
dsgdb9nsd_001592	C6H8O	7	C1	1561.040561
dsgdb9nsd_001593	C5H7NO	7	C1	1451.549384
dsgdb9nsd_001594	C5H7NO	7	C1	1470.561529
dsgdb9nsd_001595	C4H6N2O	7	C1	1360.998019
dsgdb9nsd_001596	C3H5N3O	7	C1	1211.500131
dsgdb9nsd_001597	C4H5NO2	7	C1	1253.738278
dsgdb9nsd_001598	C3H4N2O2	7	C1	1161.499119
dsgdb9nsd_001599	C4H6N2O	7	C1	1321.444821
dsgdb9nsd_001600	C4H5NO2	7	C1	1253.008886
dsgdb9nsd_001602	C6H8O	7	C1	1557.817516
dsgdb9nsd_001603	C5H7NO	7	C1	1463.659169
dsgdb9nsd_001604	C5H6O2	7	C1	1363.688309
dsgdb9nsd_001605	C4H5NO2	7	C1	1267.564032
dsgdb9nsd_001606	C4H7N3	7	C1	1397.494235
dsgdb9nsd_001607	C5H7NO	7	C1	1434.537319
dsgdb9nsd_001608	C4H6N2O	7	C1	1341.439339
dsgdb9nsd_001609	C5H8O2	7	C1	1529.340363
dsgdb9nsd_001610	C4H6O3	7	C1	1333.896925
dsgdb9nsd_001611	C4H8N2O	7	C1	1460.133501
dsgdb9nsd_001612	C4H7NO2	7	C1	1405.235625
dsgdb9nsd_001613	C5H10N2	7	C1	1653.690444
dsgdb9nsd_001614	C7H12	7	C1	1886.688041
dsgdb9nsd_001615	C6H11N	7	C1	1797.968275
dsgdb9nsd_001617	C6H10O	7	C1	1689.767314
dsgdb9nsd_001618	C5H9NO	7	C1	1599.189688
dsgdb9nsd_001619	C4H9N3	7	C1	1539.85874
dsgdb9nsd_001620	C6H10O	7	C1	1693.594564
dsgdb9nsd_001621	C5H9NO	7	C1	1604.012738
dsgdb9nsd_001622	C4H8N2O	7	C1	1472.018688
dsgdb9nsd_001623	C5H8O2	7	C1	1493.214942
dsgdb9nsd_001624	C4H7NO2	7	C1	1401.849082
dsgdb9nsd_001630	C4H6O3	7	C1	1335.564864
dsgdb9nsd_001631	C5H8O2	7	C1	1533.671007
dsgdb9nsd_001632	C4H7NO2	7	C1	1424.330796
dsgdb9nsd_001634	C3H7N3O	7	C1	1369.874731
dsgdb9nsd_001635	C4H8N2O	7	C1	1483.350248
dsgdb9nsd_001636	C4H7NO2	7	C1	1426.882864
dsgdb9nsd_001637	C3H7N3O	7	C1	1361.764961
dsgdb9nsd_001638	C3H6N2O2	7	C1	1311.864326
dsgdb9nsd_001639	C3H5NO3	7	C1	1231.689791
dsgdb9nsd_001640	C4H8N2O	7	C1	1479.329086
dsgdb9nsd_001641	C3H7N3O	7	C1	1371.155252
dsgdb9nsd_001642	C3H6N2O2	7	C1	1299.101316
dsgdb9nsd_001644	C5H8O2	7	C1	1536.836905
dsgdb9nsd_001645	C4H8N2O	7	C1	1483.872242
dsgdb9nsd_001646	C4H7NO2	7	C1	1428.675
dsgdb9nsd_001647	C4H8N2O	7	C1	1477.86156
dsgdb9nsd_001648	C3H6N2O2	7	C1	1299.101743
dsgdb9nsd_001649	C4H7NO2	7	C1	1423.781135
dsgdb9nsd_001650	C3H6N2O2	7	C1	1316.576678
dsgdb9nsd_001651	C4H6O3	7	C1	1346.46018
dsgdb9nsd_001652	C3H6N2O2	7	C1	1291.943585
dsgdb9nsd_001653	C3H5NO3	7	C1	1237.613957
dsgdb9nsd_001654	C3H6N2O2	7	C1	1282.527147
dsgdb9nsd_001655	C3H5NO3	7	C1	1227.053029
dsgdb9nsd_001697	C7H10	7	C1	1737.542725
dsgdb9nsd_001698	C6H9N	7	CS	1648.378375
dsgdb9nsd_001699	C5H8N2	7	C1	1514.25083
dsgdb9nsd_001700	C6H8O	7	C1	1536.314779
dsgdb9nsd_001701	C5H7NO	7	C1	1445.538684
dsgdb9nsd_001702	C6H8O	7	C1	1534.157057
dsgdb9nsd_001703	C5H7NO	7	CS	1443.606105
dsgdb9nsd_001704	C5H8N2	7	CS	1519.813451
dsgdb9nsd_001705	C4H7N3	7	CS	1383.481709
dsgdb9nsd_001706	C4H6N2O	7	CS	1313.7645
dsgdb9nsd_001707	C6H8O	7	C1	1541.93552
dsgdb9nsd_001708	C5H7NO	7	C1	1451.007599
dsgdb9nsd_001709	C4H6N2O	7	C1	1313.830897
dsgdb9nsd_001710	C5H6O2	7	C1	1336.517587
dsgdb9nsd_001711	C4H5NO2	7	C1	1244.046262
dsgdb9nsd_001712	C6H10O	7	C1	1710.570484
dsgdb9nsd_001713	C5H8O2	7	C1	1510.49811
dsgdb9nsd_001714	C5H8O2	7	C1	1505.985476
dsgdb9nsd_001715	C5H8O2	7	C1	1518.896446
dsgdb9nsd_001716	C4H6O3	7	C1	1314.087906
dsgdb9nsd_001730	C6H9N	7	C1	1608.011668
dsgdb9nsd_001731	C6H8O	7	C1	1538.656112
dsgdb9nsd_001732	C6H8O	7	C1	1541.363175
dsgdb9nsd_001733	C7H10	7	C1	1735.497063
dsgdb9nsd_001734	C6H9N	7	C1	1604.186031
dsgdb9nsd_001735	C6H8O	7	C1	1536.351652
dsgdb9nsd_001736	C6H9N	7	C1	1646.497039
dsgdb9nsd_001737	C5H8N2	7	C1	1515.055806
dsgdb9nsd_001738	C5H7NO	7	C1	1446.473717
dsgdb9nsd_001739	C6H8O	7	C1	1539.932616
dsgdb9nsd_001740	C5H7NO	7	C1	1450.093387
dsgdb9nsd_001741	C5H9NO	7	C1	1594.622918
dsgdb9nsd_001742	C5H8O2	7	C1	1519.967166
dsgdb9nsd_001743	C6H10O	7	C1	1707.541646
dsgdb9nsd_001744	C5H9NO	7	C1	1576.741734
dsgdb9nsd_001745	C5H8O2	7	C1	1508.7484
dsgdb9nsd_001746	C5H8O2	7	C1	1510.061326
dsgdb9nsd_001758	C6H8O	7	C1	1538.570105
dsgdb9nsd_001759	C5H7NO	7	C1	1448.809057
dsgdb9nsd_001760	C7H10	7	C1	1736.021654
dsgdb9nsd_001761	C6H9N	7	C1	1646.85573
dsgdb9nsd_001762	C5H8N2	7	C1	1515.533754
dsgdb9nsd_001763	C6H8O	7	C1	1538.09439
dsgdb9nsd_001764	C5H7NO	7	C1	1447.351465
dsgdb9nsd_001765	C6H9N	7	C1	1606.157697
dsgdb9nsd_001766	C5H8N2	7	C1	1515.545031
dsgdb9nsd_001767	C6H8O	7	C1	1537.333039
dsgdb9nsd_001769	C6H9N	7	C1	1594.703936
dsgdb9nsd_001770	C5H8N2	7	C1	1504.571985
dsgdb9nsd_001771	C4H6N2O	7	C1	1321.780495
dsgdb9nsd_001772	C4H7N3	7	C1	1389.318251
dsgdb9nsd_001773	C4H6N2O	7	C1	1318.130279
dsgdb9nsd_001774	C5H6O2	7	C1	1340.204168
dsgdb9nsd_001775	C4H5NO2	7	C1	1248.382554
dsgdb9nsd_001776	C5H8O2	7	C1	1513.398434
dsgdb9nsd_001777	C6H10O	7	C1	1711.200711
dsgdb9nsd_001778	C5H8O2	7	C1	1514.298684
dsgdb9nsd_001779	C5H9NO	7	C1	1581.923513
dsgdb9nsd_001780	C5H8O2	7	C1	1512.760941
dsgdb9nsd_001781	C5H9NO	7	C1	1571.532815
dsgdb9nsd_001782	C4H6O3	7	C1	1316.982865
dsgdb9nsd_001798	C6H10O	7	C1	1716.718835
dsgdb9nsd_001799	C5H9NO	7	C1	1586.021407
dsgdb9nsd_001800	C5H8O2	7	C1	1515.631866
dsgdb9nsd_001801	C5H8O2	7	C1	1519.807326
dsgdb9nsd_001802	C5H9NO	7	C1	1606.028443
dsgdb9nsd_001803	C4H8N2O	7	C1	1475.898202
dsgdb9nsd_001804	C4H7NO2	7	C1	1406.819578
dsgdb9nsd_001805	C4H7NO2	7	C1	1410.721156
dsgdb9nsd_001806	C4H7NO2	7	C1	1412.45799
dsgdb9nsd_001819	C4H4N2O	7	C1	1220.740258
dsgdb9nsd_001821	C5H4O2	7	C1	1268.656752
dsgdb9nsd_001822	C4H3NO2	7	C2V	1162.960627
dsgdb9nsd_001824	C4H6N2O	7	C1	1365.817392
dsgdb9nsd_001825	C4H5NO2	7	C1	1293.023661
dsgdb9nsd_001826	C3H5N3O	7	C1	1244.021877
dsgdb9nsd_001827	C3H4N2O2	7	C1	1171.999907
dsgdb9nsd_001829	C3H4N2O2	7	C1	1171.933084
dsgdb9nsd_001830	C3H3NO3	7	CS	1098.4526
dsgdb9nsd_001832	C3H5N3O	7	C1	1239.924943
dsgdb9nsd_001833	C5H6O2	7	C1	1408.233056
dsgdb9nsd_001834	C4H5NO2	7	C2	1311.379293
dsgdb9nsd_001836	C3H4N2O2	7	C1	1189.538359
dsgdb9nsd_001837	C5H7NO	7	C1	1465.794917
dsgdb9nsd_001838	C6H8O	7	C1	1599.20141
dsgdb9nsd_001839	C5H7NO	7	C1	1481.728726
dsgdb9nsd_001840	C5H6O2	7	C1	1411.154452
dsgdb9nsd_001841	C4H6N2O	7	C1	1342.033653
dsgdb9nsd_001842	C5H7NO	7	C1	1479.138191
dsgdb9nsd_001843	C4H6N2O	7	C1	1358.417656
dsgdb9nsd_001844	C4H5NO2	7	C1	1288.623527
dsgdb9nsd_001845	C6H8O	7	C1	1593.924996
dsgdb9nsd_001846	C5H7NO	7	C1	1481.718083
dsgdb9nsd_001847	C5H7NO	7	C1	1479.48895
dsgdb9nsd_001848	C4H7N3	7	C1	1415.876454
dsgdb9nsd_001849	C4H6N2O	7	C1	1362.399624
dsgdb9nsd_001850	C4H5NO2	7	C1	1291.72006
dsgdb9nsd_001851	C3H5N3O	7	C1	1240.91824
dsgdb9nsd_001852	C6H8O	7	C1	1595.226564
dsgdb9nsd_001853	C5H7NO	7	C1	1480.076211
dsgdb9nsd_001854	C5H7NO	7	C1	1465.351751
dsgdb9nsd_001855	C5H6O2	7	C1	1410.317875
dsgdb9nsd_001856	C5H6O2	7	C1	1397.62775
dsgdb9nsd_001857	C7H12	7	CS	1915.715444
dsgdb9nsd_001858	C6H10O	7	C1	1720.506645
dsgdb9nsd_001859	C6H10O	7	C1	1716.315892
dsgdb9nsd_001860	C5H8O2	7	CS	1524.904774
dsgdb9nsd_001861	C6H10O	7	C1	1722.607227
dsgdb9nsd_001862	C7H12	7	C1	1917.884582
dsgdb9nsd_001863	C5H9NO	7	C1	1606.248887
dsgdb9nsd_001864	C5H8O2	7	C1	1531.848374
dsgdb9nsd_001865	C5H9NO	7	C1	1607.439185
dsgdb9nsd_001866	C6H10O	7	C1	1736.261639
dsgdb9nsd_001867	C5H9NO	7	C1	1623.624807
dsgdb9nsd_001868	C5H8O2	7	C1	1552.730164
dsgdb9nsd_001869	C5H9NO	7	C1	1621.979841
dsgdb9nsd_001870	C4H8N2O	7	C1	1501.658572
dsgdb9nsd_001871	C4H7NO2	7	C1	1431.971088
dsgdb9nsd_001872	C5H9NO	7	C1	1605.258627
dsgdb9nsd_001873	C4H7NO2	7	C1	1410.19354
dsgdb9nsd_001874	C5H8O2	7	C1	1550.473847
dsgdb9nsd_001876	C4H6O3	7	C1	1359.706661
dsgdb9nsd_001877	C4H7NO2	7	C1	1405.897265
dsgdb9nsd_001878	C4H6O3	7	C1	1351.65375
dsgdb9nsd_001879	C5H9NO	7	C1	1593.016632
dsgdb9nsd_001880	C5H8O2	7	C1	1540.023367
dsgdb9nsd_001882	C4H7NO2	7	C1	1408.267663
dsgdb9nsd_001883	C4H6O3	7	C1	1353.551295
dsgdb9nsd_001884	C6H10O	7	C1	1723.286079
dsgdb9nsd_001885	C7H12	7	C1	1918.029147
dsgdb9nsd_001886	C5H9NO	7	C1	1605.076756
dsgdb9nsd_001887	C6H10O	7	C1	1716.017706
dsgdb9nsd_001895	C6H10O	7	C1	1684.142482
dsgdb9nsd_001896	C5H8O2	7	C1	1481.645305
dsgdb9nsd_001897	C7H12	7	C1	1877.518709
dsgdb9nsd_001898	C6H10O	7	C1	1672.465811
dsgdb9nsd_001899	C6H10O	7	C1	1684.168637
dsgdb9nsd_001900	C6H11N	7	C1	1735.256971
dsgdb9nsd_001901	C5H9NO	7	C1	1543.429821
dsgdb9nsd_001902	C5H8O2	7	C1	1491.169405
dsgdb9nsd_001903	C5H7NO	7	C1	1434.126432
dsgdb9nsd_001904	C5H6O2	7	C1	1362.434564
dsgdb9nsd_001905	C5H7NO	7	C1	1432.23222
dsgdb9nsd_001906	C6H8O	7	C1	1566.65465
dsgdb9nsd_001907	C5H7NO	7	C1	1445.886419
dsgdb9nsd_001908	C5H6O2	7	C1	1378.52611
dsgdb9nsd_001909	C5H7NO	7	C1	1438.480307
dsgdb9nsd_001910	C5H6O2	7	C1	1367.002475
dsgdb9nsd_001911	C5H9NO	7	C1	1564.468056
dsgdb9nsd_001912	C5H8O2	7	C1	1497.179409
dsgdb9nsd_001913	C6H10O	7	C1	1694.268829
dsgdb9nsd_001914	C7H12	7	C1	1888.665399
dsgdb9nsd_001915	C6H10O	7	C1	1691.035624
dsgdb9nsd_001916	C6H10O	7	C1	1691.617112
dsgdb9nsd_001917	C6H10O	7	C1	1688.034441
dsgdb9nsd_001918	C5H9NO	7	C1	1549.778404
dsgdb9nsd_001919	C5H8O2	7	C1	1496.789493
dsgdb9nsd_001920	C7H10	7	C1	1748.08806
dsgdb9nsd_001921	C6H8O	7	C1	1545.854888
dsgdb9nsd_001922	C6H8O	7	C1	1553.156513
dsgdb9nsd_001923	C7H12	7	C1	1906.528322
dsgdb9nsd_001924	C6H10O	7	C1	1703.703315
dsgdb9nsd_001925	C6H10O	7	CS	1701.441896
dsgdb9nsd_001926	C6H10O	7	C1	1707.020023
dsgdb9nsd_001927	C6H10O	7	C1	1711.978019
dsgdb9nsd_001928	C5H8O2	7	C1	1505.290145
dsgdb9nsd_001931	C6H10O	7	C1	1693.839318
dsgdb9nsd_001932	C5H8O2	7	C1	1488.67749
dsgdb9nsd_001933	C6H11N	7	C1	1759.984159
dsgdb9nsd_001934	C6H10O	7	C1	1695.048127
dsgdb9nsd_001935	C5H8O2	7	C1	1494.869396
dsgdb9nsd_001936	C5H5NO	7	C1	1281.878239
dsgdb9nsd_001937	C4H4N2O	7	C1	1188.707599
dsgdb9nsd_001938	C6H6O	7	CS	1411.680355
dsgdb9nsd_001939	C5H5NO	7	CS	1321.000212
dsgdb9nsd_001940	C5H5NO	7	C1	1296.853866
dsgdb9nsd_001941	C5H4O2	7	C1	1228.631849
dsgdb9nsd_001942	C4H3NO2	7	C1	1134.811561
dsgdb9nsd_001943	C4H5NO2	7	C1	1252.844893
dsgdb9nsd_001944	C5H6O2	7	C1	1384.000446
dsgdb9nsd_001945	C4H5NO2	7	C1	1269.798957
dsgdb9nsd_001947	C4H5NO2	7	C1	1261.491277
dsgdb9nsd_001948	C7H10	7	CS	1736.91428
dsgdb9nsd_001949	C6H9N	7	CS	1647.734212
dsgdb9nsd_001950	C5H8N2	7	C1	1513.890809
dsgdb9nsd_001951	C6H8O	7	C1	1536.345126
dsgdb9nsd_001952	C5H7NO	7	C1	1445.336532
dsgdb9nsd_001953	C5H8N2	7	CS	1508.721053
dsgdb9nsd_001954	C6H8O	7	C1	1541.859014
dsgdb9nsd_001955	C5H7NO	7	C1	1452.511281
dsgdb9nsd_001956	C6H10O	7	C1	1709.131818
dsgdb9nsd_001957	C5H8O2	7	C1	1509.818015
dsgdb9nsd_001958	C5H9NO	7	C1	1590.554511
dsgdb9nsd_001959	C5H8O2	7	C1	1513.891179
dsgdb9nsd_001960	C4H7NO2	7	C1	1393.651781
dsgdb9nsd_001961	C5H9NO	7	C1	1583.873938
dsgdb9nsd_001962	C5H9NO	7	C1	1590.53716
dsgdb9nsd_001963	C6H10O	7	C1	1715.853662
dsgdb9nsd_001964	C5H9NO	7	C1	1603.744572
dsgdb9nsd_001965	C5H8O2	7	C1	1537.683936
dsgdb9nsd_001966	C5H9NO	7	C1	1576.246459
dsgdb9nsd_001967	C5H8O2	7	C1	1510.050853
dsgdb9nsd_001968	C4H7NO2	7	C1	1393.354298
dsgdb9nsd_001969	C5H8O2	7	C1	1518.720756
dsgdb9nsd_001970	C4H7NO2	7	C1	1406.281464
dsgdb9nsd_001971	C4H6O3	7	C1	1340.299938
dsgdb9nsd_001981	C5H9NO	7	C1	1579.348816
dsgdb9nsd_001982	C6H10O	7	C1	1711.793368
dsgdb9nsd_001983	C5H9NO	7	C1	1578.993382
dsgdb9nsd_001984	C5H8O2	7	C1	1511.306806
dsgdb9nsd_001985	C5H9NO	7	C1	1573.010769
dsgdb9nsd_001986	C5H9NO	7	C1	1596.709795
dsgdb9nsd_001987	C5H8O2	7	C1	1526.12597
dsgdb9nsd_001988	C5H9NO	7	C1	1602.079344
dsgdb9nsd_001989	C4H8N2O	7	C1	1470.227845
dsgdb9nsd_001990	C4H7NO2	7	C1	1402.949514
dsgdb9nsd_001991	C4H8N2O	7	C1	1464.953207
dsgdb9nsd_001992	C4H8N2O	7	C1	1479.668863
dsgdb9nsd_001993	C4H7NO2	7	C1	1411.034622
dsgdb9nsd_002002	C7H8	7	C1	1573.78885
dsgdb9nsd_002003	C6H6O	7	CS	1363.884023
dsgdb9nsd_002004	C6H7N	7	C1	1429.558144
dsgdb9nsd_002005	C6H7N	7	C1	1483.537635
dsgdb9nsd_002006	C5H6N2	7	C1	1344.128938
dsgdb9nsd_002007	C5H5NO	7	C1	1270.998793
dsgdb9nsd_002008	C5H6N2	7	C1	1338.235482
dsgdb9nsd_002009	C6H8O	7	C1	1544.559972
dsgdb9nsd_002010	C5H6O2	7	C1	1335.605753
dsgdb9nsd_002011	C5H7NO	7	C1	1399.204249
dsgdb9nsd_002012	C7H12	7	C1	1877.315182
dsgdb9nsd_002013	C6H10O	7	C1	1671.904905
dsgdb9nsd_002014	C6H11N	7	C1	1733.561234
dsgdb9nsd_002015	C6H10O	7	C1	1674.050046
dsgdb9nsd_002016	C5H9NO	7	C1	1531.729988
dsgdb9nsd_002017	C6H10O	7	C1	1679.135101
dsgdb9nsd_002018	C5H8O2	7	C1	1474.50532
dsgdb9nsd_002019	C5H9NO	7	C1	1535.181667
dsgdb9nsd_002020	C5H7NO	7	CS	1433.655028
dsgdb9nsd_002021	C6H8O	7	CS	1561.714557
dsgdb9nsd_002022	C5H7NO	7	C1	1446.828066
dsgdb9nsd_002023	C5H6O2	7	CS	1380.443327
dsgdb9nsd_002024	C5H7NO	7	C1	1429.857404
dsgdb9nsd_002025	C5H6O2	7	CS	1362.065431
dsgdb9nsd_002026	C7H12	7	CS	1886.86919
dsgdb9nsd_002027	C6H10O	7	C1	1688.590941
dsgdb9nsd_002028	C6H10O	7	CS	1689.605153
dsgdb9nsd_002029	C5H10N2	7	C1	1615.446005
dsgdb9nsd_002031	C6H10O	7	CS	1692.001066
dsgdb9nsd_002032	C5H9NO	7	C1	1561.028268
dsgdb9nsd_002033	C5H8O2	7	C1	1493.767583
dsgdb9nsd_002034	C7H12	7	C1	1888.479869
dsgdb9nsd_002035	C6H11N	7	C1	1755.803709
dsgdb9nsd_002036	C6H10O	7	C1	1688.230073
dsgdb9nsd_002037	C6H11N	7	C1	1752.995033
dsgdb9nsd_002038	C6H10O	7	C1	1687.457985
dsgdb9nsd_002039	C6H10O	7	C1	1693.957798
dsgdb9nsd_002040	C5H9NO	7	C1	1561.172376
dsgdb9nsd_002041	C5H8O2	7	C1	1493.089666
dsgdb9nsd_002042	C5H9NO	7	C1	1557.514573
dsgdb9nsd_002043	C7H12	7	C1	1871.636347
dsgdb9nsd_002044	C6H10O	7	C1	1666.643696
dsgdb9nsd_002045	C6H10O	7	C1	1681.209434
dsgdb9nsd_002046	C5H8O2	7	CS	1477.41254
dsgdb9nsd_002047	C7H12	7	C1	1887.214051
dsgdb9nsd_002048	C6H10O	7	C1	1682.206741
dsgdb9nsd_002050	C5H8O2	7	C1	1484.978265
dsgdb9nsd_002051	C5H7NO	7	C1	1456.538668
dsgdb9nsd_002052	C5H7NO	7	C1	1477.495942
dsgdb9nsd_002053	C5H6O2	7	C1	1401.511444
dsgdb9nsd_002054	C6H8O	7	C1	1593.111537
dsgdb9nsd_002055	C5H7NO	7	C1	1481.106531
dsgdb9nsd_002056	C4H5NO2	7	C1	1283.240091
dsgdb9nsd_002057	C4H5NO2	7	C1	1265.658537
dsgdb9nsd_002058	C4H5NO2	7	C1	1284.920104
dsgdb9nsd_002059	C4H6N2O	7	C1	1359.647575
dsgdb9nsd_002060	C6H8O	7	C1	1596.24547
dsgdb9nsd_002061	C5H7NO	7	C1	1470.48476
dsgdb9nsd_002062	C5H7NO	7	C1	1459.899659
dsgdb9nsd_002063	C5H6O2	7	C1	1387.707082
dsgdb9nsd_002064	C5H7NO	7	C1	1478.546738
dsgdb9nsd_002065	C5H6O2	7	C1	1404.937703
dsgdb9nsd_002066	C5H9NO	7	C1	1602.743174
dsgdb9nsd_002067	C4H7NO2	7	C1	1402.120825
dsgdb9nsd_002068	C4H8N2O	7	C1	1466.744062
dsgdb9nsd_002069	C4H7NO2	7	C1	1395.611073
dsgdb9nsd_002070	C4H7NO2	7	C1	1402.106449
dsgdb9nsd_002071	C6H10O	7	CS	1738.063526
dsgdb9nsd_002072	C5H9NO	7	C1	1622.014699
dsgdb9nsd_002073	C5H8O2	7	C1	1546.926511
dsgdb9nsd_002074	C5H9NO	7	C1	1601.805888
dsgdb9nsd_002075	C5H8O2	7	C1	1530.301218
dsgdb9nsd_002076	C5H8O2	7	CS	1533.0129
dsgdb9nsd_002077	C4H6O3	7	C1	1345.934352
dsgdb9nsd_002078	C4H8N2O	7	C1	1486.534551
dsgdb9nsd_002079	C4H7NO2	7	C1	1410.994067
dsgdb9nsd_002080	C4H7NO2	7	C1	1415.259744
dsgdb9nsd_002081	C4H6O3	7	C1	1339.984433
dsgdb9nsd_002082	C4H6O3	7	C1	1327.238629
dsgdb9nsd_002083	C4H8N2O	7	CS	1500.984834
dsgdb9nsd_002084	C4H7NO2	7	C1	1427.369253
dsgdb9nsd_002086	C7H12	7	C1	1920.855168
dsgdb9nsd_002087	C6H10O	7	C1	1715.627583
dsgdb9nsd_002088	C6H10O	7	C1	1715.683011
dsgdb9nsd_002089	C5H9NO	7	C1	1601.805354
dsgdb9nsd_002090	C6H10O	7	C1	1716.376007
dsgdb9nsd_002092	C5H9NO	7	C1	1600.151101
dsgdb9nsd_002093	C5H9NO	7	C1	1597.686539
dsgdb9nsd_002094	C6H10O	7	C1	1724.362766
dsgdb9nsd_002095	C4H7NO2	7	C1	1400.595833
dsgdb9nsd_002096	C7H12	7	C1	1918.983231
dsgdb9nsd_002097	C5H9NO	7	C1	1598.833877
dsgdb9nsd_002098	C6H10O	7	C1	1713.598105
dsgdb9nsd_002099	C6H10O	7	C1	1716.04317
dsgdb9nsd_002100	C6H10O	7	C1	1723.526478
dsgdb9nsd_002101	C5H8O2	7	C1	1516.422753
dsgdb9nsd_002114	C4H4N2O	7	C1	1201.616115
dsgdb9nsd_002115	C5H4O2	7	C1	1259.941749
dsgdb9nsd_002116	C4H3NO2	7	C1	1144.425251
dsgdb9nsd_002117	C4H6N2O	7	C1	1341.621279
dsgdb9nsd_002118	C4H5NO2	7	C1	1270.335948
dsgdb9nsd_002119	C3H4N2O2	7	CS	1141.195409
dsgdb9nsd_002120	C3H3NO3	7	C1	1084.916718
dsgdb9nsd_002121	C5H6O2	7	CS	1400.820387
dsgdb9nsd_002122	C4H5NO2	7	C1	1287.52147
dsgdb9nsd_002123	C4H4O3	7	C1	1213.112981
dsgdb9nsd_002124	C4H5NO2	7	CS	1263.237322
dsgdb9nsd_002125	C4H4O3	7	CS	1190.589249
dsgdb9nsd_002126	C3H2O4	7	CS	1027.333629
dsgdb9nsd_002127	C7H12	7	CS	1919.724075
dsgdb9nsd_002128	C6H10O	7	C1	1715.480175
dsgdb9nsd_002129	C6H8O	7	C1	1598.718064
dsgdb9nsd_002130	C5H7NO	7	C1	1482.252533
dsgdb9nsd_002131	C5H7NO	7	C1	1466.212035
dsgdb9nsd_002132	C5H6O2	7	C1	1411.151396
dsgdb9nsd_002133	C4H6N2O	7	C1	1351.985803
dsgdb9nsd_002134	C6H8O	7	C1	1591.298166
dsgdb9nsd_002135	C5H7NO	7	C1	1477.990608
dsgdb9nsd_002136	C4H7N3	7	C1	1412.232927
dsgdb9nsd_002137	C4H6N2O	7	C1	1358.225619
dsgdb9nsd_002138	C4H5NO2	7	C1	1286.584937
dsgdb9nsd_002139	C5H7NO	7	C1	1473.794113
dsgdb9nsd_002140	C4H7N3	7	C1	1408.092387
dsgdb9nsd_002141	C4H6N2O	7	C1	1352.666883
dsgdb9nsd_002142	C5H6O2	7	C1	1393.6768
dsgdb9nsd_002143	C4H5NO2	7	C1	1276.804825
dsgdb9nsd_002144	C6H8O	7	C1	1595.516925
dsgdb9nsd_002145	C5H7NO	7	C1	1474.647494
dsgdb9nsd_002147	C6H10O	7	C1	1720.213579
dsgdb9nsd_002148	C7H12	7	C1	1914.79645
dsgdb9nsd_002149	C6H10O	7	C1	1720.310731
dsgdb9nsd_002150	C5H9NO	7	C1	1600.931529
dsgdb9nsd_002151	C5H8O2	7	C1	1526.131869
dsgdb9nsd_002152	C6H10O	7	C1	1723.00781
dsgdb9nsd_002153	C7H12	7	C1	1918.017438
dsgdb9nsd_002154	C6H10O	7	C1	1716.104955
dsgdb9nsd_002155	C6H10O	7	C1	1736.3456
dsgdb9nsd_002156	C5H9NO	7	C1	1622.373911
dsgdb9nsd_002157	C5H9NO	7	C1	1604.846121
dsgdb9nsd_002158	C5H8O2	7	C1	1550.767741
dsgdb9nsd_002159	C5H8O2	7	C1	1530.267232
dsgdb9nsd_002160	C5H8O2	7	C1	1531.966998
dsgdb9nsd_002161	C4H7NO2	7	C1	1404.175843
dsgdb9nsd_002162	C4H6O3	7	C1	1348.456093
dsgdb9nsd_002163	C5H9NO	7	C1	1617.982876
dsgdb9nsd_002164	C4H8N2O	7	C1	1495.564708
dsgdb9nsd_002165	C4H7NO2	7	C1	1424.315924
dsgdb9nsd_002166	C4H7NO2	7	C1	1421.880723
dsgdb9nsd_002167	C5H8O2	7	C1	1540.449653
dsgdb9nsd_002168	C4H7NO2	7	C1	1426.502656
dsgdb9nsd_002169	C4H7NO2	7	C1	1409.87848
dsgdb9nsd_002171	C4H7NO2	7	C1	1404.183129
dsgdb9nsd_002172	C4H6O3	7	C1	1332.550767
dsgdb9nsd_002182	C5H8O2	7	C1	1520.792836
dsgdb9nsd_002183	C6H10O	7	C1	1717.231039
dsgdb9nsd_002184	C5H8O2	7	C1	1520.744574
dsgdb9nsd_002185	C5H9NO	7	C1	1601.598496
dsgdb9nsd_002186	C5H9NO	7	C1	1578.285771
dsgdb9nsd_002188	C4H7NO2	7	C1	1406.925621
dsgdb9nsd_002189	C5H9NO	7	C1	1591.627464
dsgdb9nsd_002190	C4H8N2O	7	C1	1463.309038
dsgdb9nsd_002191	C4H7NO2	7	C1	1393.813547
dsgdb9nsd_002192	C5H8O2	7	C1	1538.545758
dsgdb9nsd_002193	C4H7NO2	7	C1	1409.744902
dsgdb9nsd_002194	C4H6O3	7	C1	1339.461171
dsgdb9nsd_002195	C4H6O3	7	C1	1323.943407
dsgdb9nsd_002196	C6H10O	7	CS	1718.010456
dsgdb9nsd_002197	C5H8O2	7	C1	1520.815772
dsgdb9nsd_002198	C5H9NO	7	C1	1599.904967
dsgdb9nsd_002199	C5H9NO	7	CS	1585.703222
dsgdb9nsd_002200	C5H8O2	7	CS	1517.297414
dsgdb9nsd_002201	C4H7NO2	7	C1	1401.652678
dsgdb9nsd_002202	C4H6O3	7	CS	1322.98119
dsgdb9nsd_002211	C7H12	7	C1	1889.442124
dsgdb9nsd_002212	C6H10O	7	C1	1691.951349
dsgdb9nsd_002213	C6H10O	7	C1	1689.409477
dsgdb9nsd_002214	C5H8O2	7	C1	1489.828512
dsgdb9nsd_002215	C6H10O	7	C1	1694.981517
dsgdb9nsd_002216	C5H8O2	7	C1	1493.305849
dsgdb9nsd_002217	C6H10O	7	C1	1692.358521
dsgdb9nsd_002218	C5H8O2	7	C1	1486.436898
dsgdb9nsd_002219	C5H8O2	7	C1	1489.310816
dsgdb9nsd_002220	C7H12	7	C1	1887.879939
dsgdb9nsd_002221	C6H10O	7	C1	1691.1891
dsgdb9nsd_002222	C6H10O	7	C1	1685.194747
dsgdb9nsd_002223	C6H10O	7	C1	1682.456345
dsgdb9nsd_002224	C5H8O2	7	C1	1484.736404
dsgdb9nsd_002225	C5H8O2	7	C1	1495.518423
dsgdb9nsd_002226	C4H6O3	7	C1	1288.08358
dsgdb9nsd_002227	C7H10	7	C1	1765.61723
dsgdb9nsd_002228	C5H7NO	7	C1	1447.523346
dsgdb9nsd_002229	C6H9N	7	C1	1635.522067
dsgdb9nsd_002230	C6H8O	7	C1	1567.384413
dsgdb9nsd_002231	C6H8O	7	C1	1568.244797
dsgdb9nsd_002232	C7H10	7	C1	1765.527183
dsgdb9nsd_002233	C5H7NO	7	C1	1446.773366
dsgdb9nsd_002234	C6H9N	7	C1	1633.666258
dsgdb9nsd_002235	C6H8O	7	C1	1567.384645
dsgdb9nsd_002236	C6H8O	7	C1	1567.910058
dsgdb9nsd_002237	C7H12	7	C1	1910.837593
dsgdb9nsd_002238	C6H10O	7	C1	1706.736652
dsgdb9nsd_002239	C6H10O	7	C1	1707.726304
dsgdb9nsd_002240	C6H10O	7	C1	1704.503302
dsgdb9nsd_002241	C5H8O2	7	C1	1502.19439
dsgdb9nsd_002242	C6H10O	7	C1	1715.70894
dsgdb9nsd_002243	C5H9NO	7	C1	1578.171709
dsgdb9nsd_002244	C5H8O2	7	C1	1508.836917
dsgdb9nsd_002245	C6H10O	7	C1	1713.984675
dsgdb9nsd_002246	C5H8O2	7	C1	1509.658239
dsgdb9nsd_002247	C5H8O2	7	C1	1506.679708
dsgdb9nsd_002248	C6H8O	7	C1	1566.931338
dsgdb9nsd_002249	C5H7NO	7	C1	1444.783338
dsgdb9nsd_002250	C5H7NO	7	C1	1429.839909
dsgdb9nsd_002251	C5H6O2	7	C1	1375.988286
dsgdb9nsd_002252	C5H7NO	7	C1	1431.399301
dsgdb9nsd_002253	C5H7NO	7	C1	1431.224427
dsgdb9nsd_002254	C5H6O2	7	C1	1363.114665
dsgdb9nsd_002255	C4H6N2O	7	C1	1302.165025
dsgdb9nsd_002257	C5H6O2	7	C1	1367.600567
dsgdb9nsd_002258	C4H5NO2	7	C1	1244.621212
dsgdb9nsd_002260	C4H4O3	7	C1	1175.163923
dsgdb9nsd_002262	C5H9NO	7	C1	1560.175169
dsgdb9nsd_002263	C5H9NO	7	C1	1565.070967
dsgdb9nsd_002264	C5H8O2	7	C1	1497.456913
dsgdb9nsd_002265	C7H12	7	C1	1888.801254
dsgdb9nsd_002266	C6H10O	7	C1	1692.139093
dsgdb9nsd_002267	C6H10O	7	C1	1691.161747
dsgdb9nsd_002268	C6H10O	7	C1	1685.514789
dsgdb9nsd_002269	C5H8O2	7	C1	1487.472703
dsgdb9nsd_002270	C5H8O2	7	C1	1497.817944
dsgdb9nsd_002271	C7H10	7	C1	1735.527001
dsgdb9nsd_002272	C6H8O	7	C1	1534.288376
dsgdb9nsd_002273	C6H8O	7	C1	1532.325871
dsgdb9nsd_002274	C6H9N	7	C1	1646.524449
dsgdb9nsd_002275	C5H7NO	7	C1	1444.551336
dsgdb9nsd_002276	C5H7NO	7	C1	1442.4575
dsgdb9nsd_002277	C5H8N2	7	C1	1506.308179
dsgdb9nsd_002278	C4H7NO2	7	C1	1370.616127
dsgdb9nsd_002279	C6H10O	7	C1	1707.440523
dsgdb9nsd_002280	C5H8O2	7	C1	1506.813054
dsgdb9nsd_002281	C5H8O2	7	C1	1503.191069
dsgdb9nsd_002282	C5H9NO	7	C1	1569.39356
dsgdb9nsd_002283	C5H9NO	7	C1	1596.113109
dsgdb9nsd_002284	C4H7NO2	7	C1	1391.502749
dsgdb9nsd_002285	C5H8O2	7	C1	1521.852587
dsgdb9nsd_002286	C4H6O3	7	C1	1315.960332
dsgdb9nsd_002287	C7H10	7	C1	1739.74384
dsgdb9nsd_002289	C6H8O	7	C1	1536.224926
dsgdb9nsd_002290	C5H9NO	7	C1	1580.387683
dsgdb9nsd_002302	C7H10	7	C1	1739.201007
dsgdb9nsd_002303	C6H8O	7	C1	1541.75326
dsgdb9nsd_002304	C6H9N	7	C1	1598.773285
dsgdb9nsd_002305	C6H9N	7	C1	1606.861437
dsgdb9nsd_002306	C6H8O	7	C1	1539.048136
dsgdb9nsd_002307	C7H10	7	C1	1732.857645
dsgdb9nsd_002309	C6H9N	7	C1	1592.493597
dsgdb9nsd_002310	C5H8N2	7	C1	1502.632975
dsgdb9nsd_002311	C6H9N	7	C1	1602.900503
dsgdb9nsd_002312	C5H8N2	7	C1	1513.680455
dsgdb9nsd_002313	C6H8O	7	C1	1534.741858
dsgdb9nsd_002315	C6H9N	7	C1	1592.980299
dsgdb9nsd_002316	C5H8N2	7	C1	1503.22616
dsgdb9nsd_002317	C6H8O	7	C1	1536.102794
dsgdb9nsd_002318	C5H7NO	7	C1	1447.303919
dsgdb9nsd_002319	C6H10O	7	C1	1705.559375
dsgdb9nsd_002320	C5H9NO	7	C1	1592.900285
dsgdb9nsd_002321	C5H8O2	7	C1	1517.065882
dsgdb9nsd_002322	C5H9NO	7	C1	1566.525158
dsgdb9nsd_002323	C5H9NO	7	C1	1575.78475
dsgdb9nsd_002324	C5H8O2	7	C1	1507.475679
dsgdb9nsd_002325	C5H9NO	7	C1	1565.163274
dsgdb9nsd_002326	C5H8O2	7	C1	1508.252097
dsgdb9nsd_002327	C4H7NO2	7	C1	1395.249263
dsgdb9nsd_002328	C4H7NO2	7	C1	1372.821685
dsgdb9nsd_002329	C4H6O3	7	C1	1317.665244
dsgdb9nsd_002348	C6H10O	7	C1	1714.896761
dsgdb9nsd_002349	C5H8O2	7	C1	1512.554308
dsgdb9nsd_002350	C5H8O2	7	C1	1510.6489
dsgdb9nsd_002351	C5H9NO	7	C1	1594.623834
dsgdb9nsd_002352	C5H9NO	7	C1	1604.245124
dsgdb9nsd_002353	C4H7NO2	7	C1	1404.777192
dsgdb9nsd_002354	C4H7NO2	7	C1	1400.086351
dsgdb9nsd_002355	C4H8N2O	7	C1	1479.207449
dsgdb9nsd_002356	C4H7NO2	7	C1	1406.805234
dsgdb9nsd_002357	C4H7NO2	7	C1	1404.082401
dsgdb9nsd_002374	C5H8O2	7	C1	1521.058674
dsgdb9nsd_002375	C6H10O	7	C1	1716.095486
dsgdb9nsd_002376	C5H9NO	7	C1	1604.912135
dsgdb9nsd_002377	C5H9NO	7	C1	1586.99918
dsgdb9nsd_002378	C4H8N2O	7	C1	1473.352917
dsgdb9nsd_002379	C5H9NO	7	C1	1581.129757
dsgdb9nsd_002380	C4H8N2O	7	C1	1469.711442
dsgdb9nsd_002381	C5H8O2	7	C1	1512.902789
dsgdb9nsd_002382	C4H7NO2	7	C1	1405.730247
dsgdb9nsd_002383	C5H9NO	7	C1	1573.63206
dsgdb9nsd_002384	C4H8N2O	7	C1	1463.054564
dsgdb9nsd_002385	C4H7NO2	7	C1	1410.338947
dsgdb9nsd_002386	C4H7NO2	7	C1	1411.466926
dsgdb9nsd_002387	C7H12	7	C1	1888.984117
dsgdb9nsd_002388	C6H10O	7	CS	1692.250733
dsgdb9nsd_002389	C6H10O	7	C1	1685.894489
dsgdb9nsd_002390	C5H8O2	7	CS	1487.597151
dsgdb9nsd_002391	C5H8O2	7	C1	1482.464035
dsgdb9nsd_002392	C7H12	7	C1	1886.476363
dsgdb9nsd_002393	C6H10O	7	C1	1685.440988
dsgdb9nsd_002394	C6H10O	7	C1	1683.058755
dsgdb9nsd_002395	C5H9NO	7	C1	1553.662851
dsgdb9nsd_002396	C6H10O	7	C1	1692.488384
dsgdb9nsd_002397	C5H8O2	7	C1	1487.190236
dsgdb9nsd_002398	C5H9NO	7	C1	1545.004192
dsgdb9nsd_002399	C6H10O	7	C1	1689.133053
dsgdb9nsd_002400	C5H8O2	7	C1	1487.457373
dsgdb9nsd_002401	C5H8O2	7	C1	1485.109534
dsgdb9nsd_002402	C6H8O	7	C1	1548.620831
dsgdb9nsd_002403	C5H7NO	7	CS	1412.437778
dsgdb9nsd_002404	C5H6O2	7	CS	1337.625304
dsgdb9nsd_002405	C5H7NO	7	C1	1407.689137
dsgdb9nsd_002406	C5H6O2	7	C1	1353.440815
dsgdb9nsd_002407	C4H5NO2	7	CS	1218.159167
dsgdb9nsd_002408	C4H4O3	7	CS	1141.625636
dsgdb9nsd_002409	C7H12	7	C1	1872.617659
dsgdb9nsd_002410	C6H10O	7	C1	1679.302564
dsgdb9nsd_002411	C6H10O	7	C1	1666.91852
dsgdb9nsd_002412	C5H8O2	7	C1	1473.169703
dsgdb9nsd_002413	C5H9NO	7	C1	1531.435109
dsgdb9nsd_002414	C5H8O2	7	C1	1486.153446
dsgdb9nsd_002415	C4H7NO2	7	C1	1352.75309
dsgdb9nsd_002416	C4H6O3	7	C1	1280.031008
dsgdb9nsd_002417	C7H10	7	C1	1720.557216
dsgdb9nsd_002419	C6H8O	7	C1	1514.614365
dsgdb9nsd_002420	C6H9N	7	C1	1581.929543
dsgdb9nsd_002421	C5H8N2	7	C1	1449.515821
dsgdb9nsd_002422	C5H7NO	7	C1	1378.287675
dsgdb9nsd_002423	C6H8O	7	C1	1516.941365
dsgdb9nsd_002424	C5H7NO	7	C1	1379.49063
dsgdb9nsd_002425	C5H6O2	7	CS	1307.65963
dsgdb9nsd_002426	C6H8O	7	C1	1526.625437
dsgdb9nsd_002427	C5H6O2	7	C1	1318.357738
dsgdb9nsd_002428	C5H7NO	7	C1	1389.523647
dsgdb9nsd_002429	C7H10	7	C1	1735.236571
dsgdb9nsd_002430	C6H9N	7	C1	1610.235518
dsgdb9nsd_002431	C6H9N	7	C1	1601.979501
dsgdb9nsd_002432	C6H8O	7	C1	1528.398371
dsgdb9nsd_002433	C6H9N	7	C1	1593.49566
dsgdb9nsd_002434	C6H8O	7	C1	1531.088899
dsgdb9nsd_002435	C6H8O	7	C1	1537.664119
dsgdb9nsd_002436	C5H6O2	7	C1	1330.200675
dsgdb9nsd_002437	C5H7NO	7	C1	1395.298021
dsgdb9nsd_002438	C7H10	7	CS	1764.937016
dsgdb9nsd_002439	C5H7NO	7	CS	1445.710082
dsgdb9nsd_002440	C6H8O	7	C1	1562.998391
dsgdb9nsd_002441	C7H12	7	CS	1908.144109
dsgdb9nsd_002442	C6H10O	7	CS	1704.052286
dsgdb9nsd_002443	C6H10O	7	C1	1703.375454
dsgdb9nsd_002444	C5H8O2	7	CS	1501.949077
dsgdb9nsd_002445	C6H10O	7	CS	1708.644865
dsgdb9nsd_002446	C5H9NO	7	C1	1560.059595
dsgdb9nsd_002447	C5H8O2	7	CS	1504.665579
dsgdb9nsd_002449	C4H5NO2	7	C1	1250.182703
dsgdb9nsd_002450	C6H8O	7	CS	1584.728116
dsgdb9nsd_002451	C5H7NO	7	C1	1468.795322
dsgdb9nsd_002452	C5H6O2	7	C1	1396.088658
dsgdb9nsd_002453	C5H7NO	7	C1	1446.479277
dsgdb9nsd_002454	C5H7NO	7	CS	1454.102551
dsgdb9nsd_002455	C5H6O2	7	CS	1386.291672
dsgdb9nsd_002456	C4H6N2O	7	C1	1345.531121
dsgdb9nsd_002457	C4H5NO2	7	C1	1273.207821
dsgdb9nsd_002458	C4H4O3	7	CS	1199.741224
dsgdb9nsd_002459	C7H10	7	C1	1766.523887
dsgdb9nsd_002460	C6H9N	7	C1	1633.903469
dsgdb9nsd_002461	C6H8O	7	C1	1566.491222
dsgdb9nsd_002462	C5H7NO	7	C1	1449.658591
dsgdb9nsd_002463	C4H6N2O	7	C1	1328.278808
dsgdb9nsd_002464	C7H12	7	CS	1906.195567
dsgdb9nsd_002465	C6H10O	7	C1	1704.660964
dsgdb9nsd_002466	C6H10O	7	CS	1710.983015
dsgdb9nsd_002467	C5H8O2	7	CS	1504.170806
dsgdb9nsd_002468	C5H9NO	7	CS	1569.164977
dsgdb9nsd_002469	C6H10O	7	C1	1713.5627
dsgdb9nsd_002470	C5H9NO	7	C1	1576.999025
dsgdb9nsd_002471	C5H9NO	7	CS	1587.185036
dsgdb9nsd_002472	C5H8O2	7	C1	1513.678654
dsgdb9nsd_002473	C5H7NO	7	CS	1445.317111
dsgdb9nsd_002474	C6H8O	7	C1	1579.221074
dsgdb9nsd_002475	C5H6O2	7	C1	1372.874188
dsgdb9nsd_002476	C5H7NO	7	CS	1435.525691
dsgdb9nsd_002477	C5H7NO	7	C1	1456.638342
dsgdb9nsd_002478	C5H6O2	7	CS	1389.834936
dsgdb9nsd_002479	C7H10	7	C1	1748.45295
dsgdb9nsd_002480	C6H8O	7	C1	1543.78705
dsgdb9nsd_002481	C7H12	7	C1	1903.959907
dsgdb9nsd_002482	C6H10O	7	C1	1702.42627
dsgdb9nsd_002484	C6H10O	7	C1	1709.125825
dsgdb9nsd_002485	C5H8O2	7	C1	1508.322685
dsgdb9nsd_002486	C7H10	7	C1	1735.959475
dsgdb9nsd_002487	C6H9N	7	C1	1610.953426
dsgdb9nsd_002488	C6H8O	7	C1	1531.84459
dsgdb9nsd_002489	C6H9N	7	C1	1601.05223
dsgdb9nsd_002490	C6H8O	7	C1	1540.306342
dsgdb9nsd_002491	C5H7NO	7	C1	1406.266887
dsgdb9nsd_002492	C7H4	7	C1	1268.425665
dsgdb9nsd_002493	C6H3N	7	CS	1176.233883
dsgdb9nsd_002495	C5H3NO	7	C1	1151.810693
dsgdb9nsd_002496	C4H2N2O	7	C1	1056.48184
dsgdb9nsd_002497	C5H4O2	7	C1	1217.588159
dsgdb9nsd_002498	C3H6N4	7	C1	1276.207649
dsgdb9nsd_002499	C3H5N3O	7	C1	1207.475071
dsgdb9nsd_002500	C3H4N2O2	7	C1	1149.668526
dsgdb9nsd_002501	C3H3NO3	7	C1	1090.342109
dsgdb9nsd_002502	C4H7N3	7	C1	1397.235274
dsgdb9nsd_002503	C7H8	7	C1	1579.459176
dsgdb9nsd_002504	C6H7N	7	C1	1489.062486
dsgdb9nsd_002505	C5H6N2	7	C1	1396.30747
dsgdb9nsd_002507	C4H5N3	7	C1	1257.088765
dsgdb9nsd_002508	C6H6O	7	C1	1367.932626
dsgdb9nsd_002509	C5H5NO	7	C1	1276.063259
dsgdb9nsd_002510	C4H4N2O	7	C1	1181.431576
dsgdb9nsd_002511	C6H6O	7	C1	1383.256954
dsgdb9nsd_002512	C5H5NO	7	C1	1291.855144
dsgdb9nsd_002513	C4H8N2O	7	C1	1457.473112
dsgdb9nsd_002515	C5H7NO	7	C1	1462.83727
dsgdb9nsd_002516	C5H7NO	7	C1	1416.263063
dsgdb9nsd_002517	C4H6N2O	7	C1	1323.454973
dsgdb9nsd_002518	C5H6O2	7	C1	1342.334481
dsgdb9nsd_002520	C5H6O2	7	C1	1355.755654
dsgdb9nsd_002521	C4H5NO2	7	C1	1264.612566
dsgdb9nsd_002522	C5H8O2	7	C1	1525.619049
dsgdb9nsd_002523	C4H8N2O	7	C1	1470.96594
dsgdb9nsd_002524	C4H7NO2	7	CS	1414.009821
dsgdb9nsd_002525	C4H7NO2	7	C1	1387.347118
dsgdb9nsd_002526	C4H6O3	7	C1	1316.895961
dsgdb9nsd_002527	C4H6O3	7	C1	1327.606507
dsgdb9nsd_002528	C7H12	7	C1	1886.402173
dsgdb9nsd_002529	C6H11N	7	CS	1797.695033
dsgdb9nsd_002530	C6H10O	7	C1	1689.118651
dsgdb9nsd_002532	C5H10N2	7	C1	1659.533191
dsgdb9nsd_002533	C6H10O	7	C1	1679.066759
dsgdb9nsd_002534	C5H9NO	7	C1	1588.769177
dsgdb9nsd_002535	C4H9N3	7	C1	1532.323361
dsgdb9nsd_002536	C4H8N2O	7	C1	1462.446576
dsgdb9nsd_002537	C4H8N2O	7	C1	1460.288377
dsgdb9nsd_002538	C5H8O2	7	C1	1483.469983
dsgdb9nsd_002539	C4H7NO2	7	C1	1391.051733
dsgdb9nsd_002540	C5H8O2	7	C1	1493.458937
dsgdb9nsd_002541	C4H7NO2	7	CS	1402.309649
dsgdb9nsd_002555	C7H6	7	C1	1429.323801
dsgdb9nsd_002556	C6H5N	7	C1	1338.515853
dsgdb9nsd_002557	C6H5N	7	C1	1294.392485
dsgdb9nsd_002558	C5H4N2	7	C1	1202.428452
dsgdb9nsd_002559	C6H4O	7	C1	1223.760054
dsgdb9nsd_002560	C5H3NO	7	C1	1130.525489
dsgdb9nsd_002561	C5H4N2	7	C1	1245.597924
dsgdb9nsd_002562	C4H3N3	7	C1	1107.892401
dsgdb9nsd_002563	C4H2N2O	7	C1	1034.842495
dsgdb9nsd_002564	C6H6O	7	C1	1406.73285
dsgdb9nsd_002565	C5H5NO	7	C1	1315.389706
dsgdb9nsd_002566	C5H5NO	7	C1	1272.205908
dsgdb9nsd_002568	C5H4O2	7	C1	1198.926635
dsgdb9nsd_002569	C4H3NO2	7	C1	1104.026051
dsgdb9nsd_002570	C5H6O2	7	C1	1380.999282
dsgdb9nsd_002571	C4H5NO2	7	C1	1247.166522
dsgdb9nsd_002572	C4H4O3	7	C1	1171.876991
dsgdb9nsd_002583	C7H10	7	C1	1735.791722
dsgdb9nsd_002584	C6H9N	7	C1	1646.503251
dsgdb9nsd_002585	C6H9N	7	C1	1601.801137
dsgdb9nsd_002586	C5H8N2	7	C1	1511.433444
dsgdb9nsd_002587	C6H8O	7	C1	1533.92587
dsgdb9nsd_002589	C5H8N2	7	C1	1507.751978
dsgdb9nsd_002590	C6H8O	7	C1	1527.048045
dsgdb9nsd_002591	C5H7NO	7	C1	1436.375972
dsgdb9nsd_002592	C4H7N3	7	C1	1380.608199
dsgdb9nsd_002593	C4H6N2O	7	C1	1312.088561
dsgdb9nsd_002594	C6H8O	7	C1	1539.186991
dsgdb9nsd_002595	C5H7NO	7	C1	1448.894536
dsgdb9nsd_002596	C5H7NO	7	C1	1404.7964
dsgdb9nsd_002597	C4H6N2O	7	C1	1313.426656
dsgdb9nsd_002598	C5H6O2	7	C1	1335.838396
dsgdb9nsd_002599	C4H5NO2	7	C1	1243.354621
dsgdb9nsd_002600	C6H10O	7	C1	1711.317603
dsgdb9nsd_002601	C5H9NO	7	C1	1577.937089
dsgdb9nsd_002602	C5H8O2	7	C1	1508.917677
dsgdb9nsd_002603	C5H8O2	7	C1	1502.077899
dsgdb9nsd_002604	C5H8O2	7	C1	1515.981238
dsgdb9nsd_002605	C4H7NO2	7	C1	1381.830368
dsgdb9nsd_002606	C4H6O3	7	C1	1311.199863
dsgdb9nsd_002607	C6H3N	7	CS	1189.223763
dsgdb9nsd_002608	C7H4	7	CS	1280.608291
dsgdb9nsd_002609	C6H3N	7	CS	1186.035839
dsgdb9nsd_002610	C5H2N2	7	CS	1093.210574
dsgdb9nsd_002611	C7H8	7	C1	1581.703759
dsgdb9nsd_002612	C6H7N	7	C1	1492.081541
dsgdb9nsd_002613	C5H6N2	7	C1	1353.988462
dsgdb9nsd_002614	C6H6O	7	C1	1369.048527
dsgdb9nsd_002615	C5H5NO	7	C1	1277.40682
dsgdb9nsd_002616	C5H6N2	7	C1	1401.478456
dsgdb9nsd_002617	C4H5N3	7	CS	1260.280058
dsgdb9nsd_002618	C4H4N2O	7	C2V	1184.56539
dsgdb9nsd_002619	C6H4O	7	C1	1247.479662
dsgdb9nsd_002620	C5H3NO	7	C1	1155.645667
dsgdb9nsd_002622	C5H3NO	7	C1	1159.548826
dsgdb9nsd_002623	C5H4O2	7	C1	1221.138124
dsgdb9nsd_002626	C6H8O	7	C1	1553.533452
dsgdb9nsd_002627	C5H7NO	7	C1	1463.539616
dsgdb9nsd_002628	C5H7NO	7	C1	1417.151585
dsgdb9nsd_002629	C4H6N2O	7	C1	1324.742459
dsgdb9nsd_002630	C5H6O2	7	C1	1343.164412
dsgdb9nsd_002631	C4H5NO2	7	C1	1251.113588
dsgdb9nsd_002632	C5H7NO	7	C1	1441.252951
dsgdb9nsd_002633	C4H6N2O	7	C1	1351.33896
dsgdb9nsd_002634	C5H6O2	7	C1	1365.538207
dsgdb9nsd_002635	C4H5NO2	7	C1	1274.342446
dsgdb9nsd_002636	C4H7NO2	7	C1	1390.561905
dsgdb9nsd_002637	C5H8O2	7	C1	1525.119577
dsgdb9nsd_002638	C4H7NO2	7	C1	1412.679915
dsgdb9nsd_002639	C4H6O3	7	C1	1335.942443
dsgdb9nsd_002640	C4H7NO2	7	C1	1388.468672
dsgdb9nsd_002641	C4H6O3	7	C1	1316.755142
dsgdb9nsd_002642	C7H4	7	C1	1291.749001
dsgdb9nsd_002643	C6H3N	7	C1	1196.548838
dsgdb9nsd_002645	C7H8	7	C1	1587.469655
dsgdb9nsd_002648	C6H8O	7	C1	1557.419951
dsgdb9nsd_002649	C5H7NO	7	C1	1443.259162
dsgdb9nsd_002650	C5H7NO	7	C1	1421.76292
dsgdb9nsd_002651	C5H6O2	7	C1	1367.102381
dsgdb9nsd_002652	C5H7NO	7	C1	1409.096409
dsgdb9nsd_002653	C4H6N2O	7	C1	1318.210004
dsgdb9nsd_002654	C4H7NO2	7	C1	1383.131333
dsgdb9nsd_002655	C6H6O	7	C1	1391.609846
dsgdb9nsd_002657	C7H8	7	C1	1582.441698
dsgdb9nsd_002658	C6H7N	7	C1	1492.300309
dsgdb9nsd_002659	C6H6O	7	C1	1381.294324
dsgdb9nsd_002660	C5H5NO	7	C1	1290.816045
dsgdb9nsd_002661	C6H8O	7	C1	1556.897888
dsgdb9nsd_002662	C5H6O2	7	C1	1357.095274
dsgdb9nsd_002663	C5H7NO	7	C1	1411.820522
dsgdb9nsd_002664	C4H6N2O	7	C1	1322.045373
dsgdb9nsd_002665	C4H8N2O	7	CS	1478.888128
dsgdb9nsd_002666	C4H7NO2	7	C1	1401.960195
dsgdb9nsd_002667	C4H7NO2	7	C1	1384.531815
dsgdb9nsd_002668	C7H8	7	C1	1588.037012
dsgdb9nsd_002669	C6H7N	7	C1	1494.371298
dsgdb9nsd_002670	C6H6O	7	C1	1376.68902
dsgdb9nsd_002671	C5H5NO	7	C1	1282.119466
dsgdb9nsd_002672	C6H6O	7	C1	1390.686635
dsgdb9nsd_002673	C5H5NO	7	C1	1296.614365
dsgdb9nsd_002675	C5H6O2	7	C1	1343.860741
dsgdb9nsd_002676	C5H6O2	7	C1	1357.461344
dsgdb9nsd_002678	C6H10O	7	C1	1678.589312
dsgdb9nsd_002680	C6H10O	7	C1	1687.963174
dsgdb9nsd_002681	C5H8O2	7	C1	1477.477907
dsgdb9nsd_002682	C5H8O2	7	C1	1490.939291
dsgdb9nsd_002686	C6H10O	7	C1	1691.685241
dsgdb9nsd_002687	C7H12	7	C1	1889.187261
dsgdb9nsd_002689	C6H10O	7	C1	1682.844993
dsgdb9nsd_002692	C7H12	7	C1	1884.936605
dsgdb9nsd_002694	C5H10N2	7	C1	1658.478053
dsgdb9nsd_002695	C6H10O	7	C1	1676.892118
dsgdb9nsd_002696	C5H9NO	7	C1	1585.994499
dsgdb9nsd_002697	C6H10O	7	C1	1681.441361
dsgdb9nsd_002698	C5H9NO	7	C1	1591.894607
dsgdb9nsd_002699	C6H10O	7	C1	1677.994219
dsgdb9nsd_002700	C5H9NO	7	CS	1588.639151
dsgdb9nsd_002701	C6H10O	7	C1	1687.789994
dsgdb9nsd_002702	C5H9NO	7	C1	1598.650676
dsgdb9nsd_002703	C4H8N2O	7	C1	1462.57435
dsgdb9nsd_002704	C5H8O2	7	C1	1481.308784
dsgdb9nsd_002705	C4H7NO2	7	C1	1389.76035
dsgdb9nsd_002732	C5H5NO	7	C1	1280.517554
dsgdb9nsd_002733	C4H4N2O	7	C1	1188.418988
dsgdb9nsd_002734	C6H6O	7	C1	1410.830406
dsgdb9nsd_002735	C5H5NO	7	C1	1319.605453
dsgdb9nsd_002736	C5H5NO	7	C1	1273.990589
dsgdb9nsd_002737	C4H4N2O	7	C1	1181.896554
dsgdb9nsd_002738	C5H4O2	7	C1	1203.462386
dsgdb9nsd_002739	C4H3NO2	7	C1	1109.947896
dsgdb9nsd_002740	C5H5NO	7	C1	1296.238668
dsgdb9nsd_002741	C4H4N2O	7	C1	1204.6629
dsgdb9nsd_002742	C5H4O2	7	C1	1227.433733
dsgdb9nsd_002743	C4H3NO2	7	C1	1134.413519
dsgdb9nsd_002744	C4H6N2O	7	C1	1333.760028
dsgdb9nsd_002745	C4H5NO2	7	C1	1254.407718
dsgdb9nsd_002746	C4H6N2O	7	C1	1333.066787
dsgdb9nsd_002747	C4H5NO2	7	C1	1269.783401
dsgdb9nsd_002748	C4H4O3	7	C1	1200.649927
dsgdb9nsd_002749	C4H5NO2	7	C1	1275.210034
dsgdb9nsd_002750	C7H10	7	C1	1737.258865
dsgdb9nsd_002751	C6H9N	7	C1	1648.196077
dsgdb9nsd_002752	C5H8N2	7	C1	1513.014712
dsgdb9nsd_002753	C6H8O	7	C1	1533.404146
dsgdb9nsd_002754	C5H7NO	7	C1	1442.392872
dsgdb9nsd_002755	C6H8O	7	C1	1536.521249
dsgdb9nsd_002756	C5H7NO	7	C1	1446.176937
dsgdb9nsd_002757	C5H8N2	7	C1	1508.331596
dsgdb9nsd_002758	C4H7N3	7	C1	1385.599435
dsgdb9nsd_002759	C4H6N2O	7	C1	1315.640697
dsgdb9nsd_002760	C6H8O	7	C1	1543.881101
dsgdb9nsd_002761	C5H7NO	7	C1	1453.787284
dsgdb9nsd_002762	C4H6N2O	7	C1	1315.753919
dsgdb9nsd_002763	C5H6O2	7	C1	1338.574607
dsgdb9nsd_002764	C4H5NO2	7	C1	1244.570471
dsgdb9nsd_002765	C6H10O	7	C1	1708.407716
dsgdb9nsd_002766	C5H9NO	7	C1	1592.400625
dsgdb9nsd_002767	C5H8O2	7	C1	1504.54553
dsgdb9nsd_002768	C5H8O2	7	C1	1507.749901
dsgdb9nsd_002769	C5H9NO	7	C1	1571.780543
dsgdb9nsd_002770	C5H8O2	7	C1	1513.127381
dsgdb9nsd_002771	C4H7NO2	7	C1	1378.999315
dsgdb9nsd_002772	C4H6O3	7	C1	1310.469021
dsgdb9nsd_002773	C5H9NO	7	C1	1580.917521
dsgdb9nsd_002774	C4H8N2O	7	C1	1452.245022
dsgdb9nsd_002775	C4H7NO2	7	C1	1382.758166
dsgdb9nsd_002776	C6H10O	7	C1	1715.889568
dsgdb9nsd_002777	C5H9NO	7	C1	1602.100654
dsgdb9nsd_002778	C5H9NO	7	C1	1587.585939
dsgdb9nsd_002779	C5H8O2	7	C1	1534.476917
dsgdb9nsd_002780	C5H9NO	7	C1	1582.136458
dsgdb9nsd_002781	C5H8O2	7	C1	1512.61753
dsgdb9nsd_002782	C5H9NO	7	C1	1599.617756
dsgdb9nsd_002783	C4H8N2O	7	C1	1450.170489
dsgdb9nsd_002784	C4H7NO2	7	C1	1396.637076
dsgdb9nsd_002785	C5H8O2	7	C1	1508.061302
dsgdb9nsd_002786	C4H7NO2	7	C1	1393.503582
dsgdb9nsd_002787	C4H7NO2	7	C1	1378.901706
dsgdb9nsd_002788	C4H6O3	7	C1	1324.81424
dsgdb9nsd_002789	C5H8O2	7	C1	1520.083801
dsgdb9nsd_002790	C4H7NO2	7	C1	1406.175459
dsgdb9nsd_002791	C4H7NO2	7	C1	1391.929123
dsgdb9nsd_002793	C4H7NO2	7	C1	1385.485805
dsgdb9nsd_002794	C4H6O3	7	C1	1314.982164
dsgdb9nsd_002808	C7H6	7	C1	1430.446265
dsgdb9nsd_002809	C6H5N	7	C1	1340.00108
dsgdb9nsd_002810	C6H5N	7	C1	1294.675567
dsgdb9nsd_002811	C5H4N2	7	C1	1203.004731
dsgdb9nsd_002812	C6H4O	7	C1	1225.394427
dsgdb9nsd_002813	C5H3NO	7	C1	1132.373222
dsgdb9nsd_002814	C5H4N2	7	C1	1247.392739
dsgdb9nsd_002815	C4H3N3	7	C1	1109.16371
dsgdb9nsd_002816	C4H2N2O	7	C1	1036.99831
dsgdb9nsd_002817	C6H6O	7	C1	1404.990777
dsgdb9nsd_002818	C5H5NO	7	C1	1313.740304
dsgdb9nsd_002819	C5H5NO	7	C1	1269.955979
dsgdb9nsd_002820	C4H4N2O	7	C1	1177.439957
dsgdb9nsd_002821	C5H4O2	7	C1	1199.63274
dsgdb9nsd_002822	C4H3NO2	7	C1	1105.629734
dsgdb9nsd_002823	C5H5NO	7	C1	1274.956269
dsgdb9nsd_002824	C4H4N2O	7	C1	1181.834048
dsgdb9nsd_002825	C5H6O2	7	C1	1377.201186
dsgdb9nsd_002826	C4H5NO2	7	C1	1247.82429
dsgdb9nsd_002827	C4H5NO2	7	CS	1243.223196
dsgdb9nsd_002828	C4H4O3	7	C1	1170.49145
dsgdb9nsd_002829	C7H10	7	C1	1735.007536
dsgdb9nsd_002830	C6H9N	7	C1	1645.873728
dsgdb9nsd_002831	C6H9N	7	C1	1602.302285
dsgdb9nsd_002832	C5H8N2	7	C1	1511.833256
dsgdb9nsd_002833	C6H8O	7	C1	1533.834291
dsgdb9nsd_002834	C5H7NO	7	C1	1442.007851
dsgdb9nsd_002835	C6H9N	7	C1	1596.016479
dsgdb9nsd_002836	C5H8N2	7	C1	1505.551553
dsgdb9nsd_002837	C6H8O	7	C1	1526.886976
dsgdb9nsd_002838	C5H7NO	7	C1	1437.35906
dsgdb9nsd_002841	C5H7NO	7	C1	1405.73656
dsgdb9nsd_002842	C4H6N2O	7	C1	1314.469558
dsgdb9nsd_002843	C5H6O2	7	C1	1336.243811
dsgdb9nsd_002844	C4H5NO2	7	C1	1243.612044
dsgdb9nsd_002845	C6H10O	7	C1	1708.255639
dsgdb9nsd_002846	C5H9NO	7	C1	1580.813041
dsgdb9nsd_002847	C5H9NO	7	C1	1576.361463
dsgdb9nsd_002848	C5H8O2	7	C1	1506.818206
dsgdb9nsd_002849	C5H9NO	7	C1	1567.893637
dsgdb9nsd_002850	C5H8O2	7	C1	1501.378954
dsgdb9nsd_002851	C5H8O2	7	C1	1510.259041
dsgdb9nsd_002852	C4H7NO2	7	C1	1382.410965
dsgdb9nsd_002853	C4H7NO2	7	C1	1379.297012
dsgdb9nsd_002854	C4H6O3	7	C1	1308.797135
dsgdb9nsd_002868	C7H8	7	C1	1614.94989
dsgdb9nsd_002869	C6H6O	7	C1	1409.299201
dsgdb9nsd_002870	C5H5NO	7	C1	1291.5316
dsgdb9nsd_002871	C6H7N	7	C1	1524.226443
dsgdb9nsd_002872	C5H5NO	7	C1	1317.164002
dsgdb9nsd_002873	C4H5N3	7	C1	1268.453677
dsgdb9nsd_002874	C4H4N2O	7	C1	1196.754517
dsgdb9nsd_002875	C7H8	7	C1	1611.147038
dsgdb9nsd_002876	C5H5NO	7	C1	1290.845613
dsgdb9nsd_002877	C6H7N	7	CS	1521.925234
dsgdb9nsd_002878	C4H5N3	7	C1	1269.736376
dsgdb9nsd_002879	C4H4N2O	7	C1	1198.427639
dsgdb9nsd_002880	C7H8	7	C1	1610.597089
dsgdb9nsd_002881	C5H5NO	7	C1	1290.583459
dsgdb9nsd_002882	C6H6O	7	C1	1404.455869
dsgdb9nsd_002883	C6H7N	7	C1	1521.275422
dsgdb9nsd_002884	C4H5N3	7	C1	1269.778049
dsgdb9nsd_002885	C5H6N2	7	C1	1384.386892
dsgdb9nsd_002886	C5H5NO	7	C1	1313.668153
dsgdb9nsd_002887	C7H10	7	C1	1754.786404
dsgdb9nsd_002889	C6H8O	7	C1	1551.266323
dsgdb9nsd_002890	C5H6O2	7	C1	1349.553984
dsgdb9nsd_002891	C5H6O2	7	C1	1348.962525
dsgdb9nsd_002892	C6H9N	7	C1	1665.728241
dsgdb9nsd_002893	C5H8N2	7	C1	1531.916722
dsgdb9nsd_002894	C5H7NO	7	C1	1460.616514
dsgdb9nsd_002895	C5H7NO	7	C1	1461.451428
dsgdb9nsd_002896	C4H5NO2	7	C1	1257.848704
dsgdb9nsd_002897	C4H5NO2	7	C1	1257.227099
dsgdb9nsd_002898	C6H8O	7	C1	1588.55893
dsgdb9nsd_002899	C5H6O2	7	C1	1382.087415
dsgdb9nsd_002900	C5H7NO	7	C1	1461.534485
dsgdb9nsd_002901	C4H6N2O	7	C1	1337.410715
dsgdb9nsd_002902	C4H5NO2	7	C1	1261.573525
dsgdb9nsd_002903	C6H8O	7	C1	1583.716201
dsgdb9nsd_002904	C4H5NO2	7	C1	1263.004165
dsgdb9nsd_002905	C5H7NO	7	C1	1465.922596
dsgdb9nsd_002906	C6H8O	7	C1	1583.737737
dsgdb9nsd_002907	C4H5NO2	7	C1	1265.66837
dsgdb9nsd_002908	C5H6O2	7	C1	1377.247879
dsgdb9nsd_002909	C5H7NO	7	C1	1466.965253
dsgdb9nsd_002910	C4H6N2O	7	C1	1344.882571
dsgdb9nsd_002911	C6H10O	7	C1	1725.751395
dsgdb9nsd_002912	C5H8O2	7	C1	1523.327786
dsgdb9nsd_002913	C5H8O2	7	C1	1524.054072
dsgdb9nsd_002914	C4H6O3	7	C1	1321.19602
dsgdb9nsd_002915	C4H6O3	7	C1	1322.458676
dsgdb9nsd_002916	C5H9NO	7	C1	1610.976996
dsgdb9nsd_002917	C4H7N3	7	C1	1403.386706
dsgdb9nsd_002919	C5H9NO	7	C1	1597.044007
dsgdb9nsd_002920	C4H7NO2	7	C1	1393.960271
dsgdb9nsd_002921	C7H12	7	C1	1915.996933
dsgdb9nsd_002922	C6H10O	7	C1	1711.317597
dsgdb9nsd_002923	C5H9NO	7	C1	1601.431459
dsgdb9nsd_002924	C4H8N2O	7	C1	1471.942634
dsgdb9nsd_002925	C6H10O	7	C1	1717.967522
dsgdb9nsd_002926	C5H8O2	7	C1	1512.95732
dsgdb9nsd_002927	C4H7NO2	7	C1	1404.407382
dsgdb9nsd_002928	C7H12	7	C1	1914.228592
dsgdb9nsd_002929	C5H9NO	7	C1	1599.290466
dsgdb9nsd_002930	C6H10O	7	C1	1708.687341
dsgdb9nsd_002931	C4H7NO2	7	C1	1398.421594
dsgdb9nsd_002932	C6H10O	7	C1	1717.738456
dsgdb9nsd_002933	C4H7NO2	7	C1	1402.717756
dsgdb9nsd_002934	C7H12	7	C1	1914.088632
dsgdb9nsd_002935	C5H9NO	7	C1	1598.137235
dsgdb9nsd_002936	C6H10O	7	C1	1712.337243
dsgdb9nsd_002937	C6H10O	7	C1	1708.402928
dsgdb9nsd_002938	C5H8O2	7	C1	1512.114882
dsgdb9nsd_002939	C6H10O	7	C1	1717.531736
dsgdb9nsd_002940	C4H7NO2	7	C1	1402.598968
dsgdb9nsd_002941	C5H8O2	7	C1	1516.583741
dsgdb9nsd_002955	C4H5N3	7	C1	1239.479882
dsgdb9nsd_002956	C6H6O	7	C1	1407.054669
dsgdb9nsd_002957	C5H5NO	7	C1	1273.852436
dsgdb9nsd_002958	C5H4O2	7	C1	1201.339616
dsgdb9nsd_002959	C5H5NO	7	C1	1275.25332
dsgdb9nsd_002960	C5H5NO	7	C1	1312.595187
dsgdb9nsd_002961	C4H4N2O	7	C1	1178.12253
dsgdb9nsd_002962	C4H3NO2	7	C1	1105.835274
dsgdb9nsd_002963	C4H4N2O	7	C1	1180.698532
dsgdb9nsd_002964	C4H6N2O	7	C1	1307.284015
dsgdb9nsd_002965	C5H6O2	7	C1	1374.222349
dsgdb9nsd_002966	C4H5NO2	7	C1	1245.105272
dsgdb9nsd_002967	C4H4O3	7	C1	1170.983775
dsgdb9nsd_002968	C4H5NO2	7	C1	1247.288572
dsgdb9nsd_002969	C7H10	7	C1	1733.787721
dsgdb9nsd_002970	C6H8O	7	C1	1532.698725
dsgdb9nsd_002971	C6H9N	7	C1	1595.144686
dsgdb9nsd_002972	C6H9N	7	C1	1644.727563
dsgdb9nsd_002973	C5H8N2	7	C1	1511.951968
dsgdb9nsd_002974	C5H7NO	7	C1	1442.955905
dsgdb9nsd_002975	C5H8N2	7	C1	1505.074633
dsgdb9nsd_002976	C5H8N2	7	C1	1513.938167
dsgdb9nsd_002977	C4H7N3	7	C1	1379.582711
dsgdb9nsd_002978	C4H6N2O	7	C1	1313.732177
dsgdb9nsd_002979	C6H8O	7	C1	1535.672549
dsgdb9nsd_002980	C5H7NO	7	C1	1403.742931
dsgdb9nsd_002981	C5H6O2	7	C1	1333.65327
dsgdb9nsd_002982	C5H7NO	7	C1	1444.999986
dsgdb9nsd_002983	C4H6N2O	7	C1	1311.602366
dsgdb9nsd_002984	C4H5NO2	7	C1	1241.37336
dsgdb9nsd_002986	C5H9NO	7	C1	1571.327613
dsgdb9nsd_002987	C5H8O2	7	C1	1504.863188
dsgdb9nsd_002988	C5H9NO	7	C1	1568.770462
dsgdb9nsd_002989	C5H9NO	7	C1	1587.32706
dsgdb9nsd_002990	C5H8O2	7	C1	1512.912133
dsgdb9nsd_002991	C4H7NO2	7	C1	1380.64194
dsgdb9nsd_002992	C4H6O3	7	C1	1310.963292
dsgdb9nsd_002994	C5H9NO	7	C1	1583.155891
dsgdb9nsd_002995	C5H8O2	7	C1	1510.8176
dsgdb9nsd_002996	C5H9NO	7	C1	1584.549107
dsgdb9nsd_002997	C5H9NO	7	C1	1598.877928
dsgdb9nsd_002998	C4H8N2O	7	C1	1466.70677
dsgdb9nsd_002999	C4H7NO2	7	C1	1396.499262
dsgdb9nsd_003000	C4H8N2O	7	C1	1465.542934
dsgdb9nsd_003001	C5H8O2	7	C1	1528.680311
dsgdb9nsd_003003	C4H6O3	7	C1	1321.89617
dsgdb9nsd_003004	C4H7NO2	7	C1	1393.375871
dsgdb9nsd_003005	C5H8O2	7	C1	1513.898258
dsgdb9nsd_003006	C4H7NO2	7	C1	1386.572602
dsgdb9nsd_003007	C4H6O3	7	C1	1314.263578
dsgdb9nsd_003008	C4H7NO2	7	C1	1388.243446
dsgdb9nsd_003024	C7H6	7	C1	1436.235868
dsgdb9nsd_003025	C6H5N	7	C1	1302.198157
dsgdb9nsd_003026	C6H4O	7	C1	1231.381075
dsgdb9nsd_003027	C6H5N	7	C1	1342.561106
dsgdb9nsd_003028	C5H4N2	7	C1	1207.470735
dsgdb9nsd_003029	C5H3NO	7	C1	1136.16892
dsgdb9nsd_003030	C7H10	7	C1	1733.227053
dsgdb9nsd_003031	C6H8O	7	C1	1532.917537
dsgdb9nsd_003032	C6H9N	7	C1	1595.166555
dsgdb9nsd_003033	C6H8O	7	C1	1524.062882
dsgdb9nsd_003034	C6H9N	7	C1	1644.239799
dsgdb9nsd_003035	C5H8N2	7	C1	1511.103826
dsgdb9nsd_003036	C5H7NO	7	C1	1443.528533
dsgdb9nsd_003037	C5H8N2	7	C1	1505.820077
dsgdb9nsd_003038	C5H8N2	7	C1	1505.529841
dsgdb9nsd_003039	C5H7NO	7	C1	1433.785494
dsgdb9nsd_003040	C6H6O	7	C1	1403.546916
dsgdb9nsd_003041	C5H5NO	7	C1	1268.93519
dsgdb9nsd_003042	C5H4O2	7	C1	1198.083626
dsgdb9nsd_003043	C4H8N2O	7	C1	1437.690385
dsgdb9nsd_003044	C4H7NO2	7	C1	1370.766761
dsgdb9nsd_003045	C6H10O	7	C1	1705.078885
dsgdb9nsd_003046	C5H8O2	7	C1	1504.83259
dsgdb9nsd_003047	C5H9NO	7	C1	1566.598507
dsgdb9nsd_003048	C5H8O2	7	C1	1497.849056
dsgdb9nsd_003049	C5H9NO	7	C1	1592.572123
dsgdb9nsd_003050	C4H8N2O	7	C1	1459.452735
dsgdb9nsd_003051	C4H7NO2	7	C1	1392.405491
dsgdb9nsd_003052	C5H8O2	7	C1	1517.666465
dsgdb9nsd_003053	C4H7NO2	7	C1	1383.409238
dsgdb9nsd_003054	C4H6O3	7	C1	1316.06859
dsgdb9nsd_003055	C7H10	7	C1	1736.788892
dsgdb9nsd_003056	C6H9N	7	C1	1604.081658
dsgdb9nsd_003057	C6H8O	7	C1	1535.936448
dsgdb9nsd_003058	C6H9N	7	C1	1597.627496
dsgdb9nsd_003059	C5H9NO	7	C1	1564.467617
dsgdb9nsd_003060	C7H10	7	C1	1736.925701
dsgdb9nsd_003061	C6H9N	7	C1	1603.812563
dsgdb9nsd_003062	C6H8O	7	C1	1533.654855
dsgdb9nsd_003063	C6H8O	7	C1	1536.190482
dsgdb9nsd_003064	C5H7NO	7	C1	1404.355593
dsgdb9nsd_003065	C5H6O2	7	C1	1333.960869
dsgdb9nsd_003066	C5H9NO	7	C1	1565.166963
dsgdb9nsd_003081	C6H9N	7	C1	1595.655586
dsgdb9nsd_003082	C5H8N2	7	C1	1505.433405
dsgdb9nsd_003083	C7H10	7	C1	1736.01937
dsgdb9nsd_003084	C6H9N	7	C1	1647.119579
dsgdb9nsd_003085	C6H8O	7	C1	1538.870356
dsgdb9nsd_003086	C5H7NO	7	C1	1448.853585
dsgdb9nsd_003087	C4H7N3	7	C1	1390.547862
dsgdb9nsd_003088	C4H6N2O	7	C1	1320.086558
dsgdb9nsd_003089	C5H6O2	7	C1	1341.155434
dsgdb9nsd_003091	C6H10O	7	C1	1707.575927
dsgdb9nsd_003092	C5H9NO	7	C1	1582.594659
dsgdb9nsd_003093	C5H9NO	7	C1	1567.214401
dsgdb9nsd_003094	C5H8O2	7	C1	1510.64181
dsgdb9nsd_003095	C4H6O3	7	C1	1311.376231
dsgdb9nsd_003108	C7H8	7	C1	1584.977796
dsgdb9nsd_003109	C6H6O	7	C1	1376.938643
dsgdb9nsd_003110	C6H6O	7	C1	1377.819334
dsgdb9nsd_003111	C6H7N	7	C1	1452.042833
dsgdb9nsd_003112	C6H6O	7	C1	1382.452788
dsgdb9nsd_003113	C6H7N	7	C1	1448.479959
dsgdb9nsd_003114	C6H7N	7	C1	1495.182122
dsgdb9nsd_003115	C5H6N2	7	C1	1358.157327
dsgdb9nsd_003116	C5H5NO	7	C1	1284.769583
dsgdb9nsd_003117	C5H6N2	7	C1	1356.960265
dsgdb9nsd_003118	C5H5NO	7	C1	1286.749677
dsgdb9nsd_003119	C5H6N2	7	C1	1361.069982
dsgdb9nsd_003120	C5H5NO	7	C1	1289.963567
dsgdb9nsd_003121	C5H6N2	7	C1	1356.994979
dsgdb9nsd_003122	C6H8O	7	C1	1560.040713
dsgdb9nsd_003123	C5H6O2	7	C1	1350.514368
dsgdb9nsd_003124	C5H6O2	7	C1	1352.113689
dsgdb9nsd_003125	C5H7NO	7	C1	1427.747855
dsgdb9nsd_003126	C5H6O2	7	C1	1353.487239
dsgdb9nsd_003127	C5H7NO	7	C1	1423.126103
dsgdb9nsd_003128	C7H12	7	C1	1887.259966
dsgdb9nsd_003129	C6H10O	7	C1	1683.568361
dsgdb9nsd_003130	C6H10O	7	C1	1680.776157
dsgdb9nsd_003131	C6H10O	7	C1	1689.160632
dsgdb9nsd_003132	C6H10O	7	C1	1680.255952
dsgdb9nsd_003134	C6H10O	7	C1	1690.513329
dsgdb9nsd_003135	C5H8O2	7	C1	1484.735877
dsgdb9nsd_003136	C5H8O2	7	C1	1483.674212
dsgdb9nsd_003137	C5H9NO	7	C1	1561.017739
dsgdb9nsd_003138	C5H8O2	7	C1	1491.795974
dsgdb9nsd_003139	C5H9NO	7	C1	1555.757659
dsgdb9nsd_003140	C4H6N2O	7	C1	1297.824937
dsgdb9nsd_003141	C5H7NO	7	C1	1434.511598
dsgdb9nsd_003142	C4H6N2O	7	C1	1302.451885
dsgdb9nsd_003143	C4H5NO2	7	C1	1230.581703
dsgdb9nsd_003144	C6H8O	7	CS	1565.637815
dsgdb9nsd_003145	C5H7NO	7	C1	1433.273942
dsgdb9nsd_003146	C5H6O2	7	C1	1361.631653
dsgdb9nsd_003147	C5H7NO	7	C1	1429.70955
dsgdb9nsd_003148	C5H6O2	7	CS	1359.309736
dsgdb9nsd_003149	C5H7NO	7	C1	1449.068802
dsgdb9nsd_003150	C4H6N2O	7	C1	1317.055574
dsgdb9nsd_003151	C4H5NO2	7	C1	1245.446412
dsgdb9nsd_003152	C5H6O2	7	CS	1381.708204
dsgdb9nsd_003153	C4H5NO2	7	C1	1248.701943
dsgdb9nsd_003154	C4H4O3	7	C1	1176.665033
dsgdb9nsd_003155	C7H12	7	C1	1887.334012
dsgdb9nsd_003156	C6H10O	7	C1	1690.134884
dsgdb9nsd_003157	C6H10O	7	C1	1685.826536
dsgdb9nsd_003158	C6H10O	7	C1	1686.590353
dsgdb9nsd_003159	C5H9NO	7	C1	1555.108294
dsgdb9nsd_003160	C5H8O2	7	C1	1487.488177
dsgdb9nsd_003161	C6H10O	7	C1	1693.412115
dsgdb9nsd_003162	C5H9NO	7	C1	1562.580821
dsgdb9nsd_003163	C5H8O2	7	C1	1494.302391
dsgdb9nsd_003164	C5H8O2	7	C1	1489.064312
dsgdb9nsd_003165	C7H10	7	CS	1762.191612
dsgdb9nsd_003166	C5H7NO	7	CS	1443.995306
dsgdb9nsd_003167	C6H8O	7	CS	1564.248126
dsgdb9nsd_003168	C7H10	7	C1	1763.048796
dsgdb9nsd_003169	C5H7NO	7	CS	1445.573147
dsgdb9nsd_003170	C6H8O	7	CS	1558.902291
dsgdb9nsd_003171	C6H9N	7	C1	1632.565098
dsgdb9nsd_003172	C6H8O	7	C1	1565.022109
dsgdb9nsd_003173	C7H12	7	C1	1905.766137
dsgdb9nsd_003174	C6H10O	7	C1	1703.699996
dsgdb9nsd_003175	C6H10O	7	C1	1702.098849
dsgdb9nsd_003176	C5H8O2	7	C1	1502.36516
dsgdb9nsd_003177	C5H9NO	7	C1	1570.397525
dsgdb9nsd_003179	C5H8O2	7	C1	1503.224076
dsgdb9nsd_003180	C7H12	7	C1	1885.167799
dsgdb9nsd_003181	C6H10O	7	C1	1687.076761
dsgdb9nsd_003182	C6H11N	7	C1	1747.489328
dsgdb9nsd_003183	C5H10N2	7	C1	1621.801083
dsgdb9nsd_003184	C5H9NO	7	C1	1554.844181
dsgdb9nsd_003185	C6H10O	7	C1	1689.302681
dsgdb9nsd_003186	C5H9NO	7	C1	1556.648447
dsgdb9nsd_003187	C5H8O2	7	C1	1486.901569
dsgdb9nsd_003188	C6H10O	7	C1	1689.809226
dsgdb9nsd_003189	C5H9NO	7	C1	1557.62989
dsgdb9nsd_003190	C5H8O2	7	C1	1489.531079
dsgdb9nsd_003191	C7H8	7	C2V	1621.407873
dsgdb9nsd_003192	C6H6O	7	C2	1414.315004
dsgdb9nsd_003193	C7H10	7	C1	1776.289008
dsgdb9nsd_003194	C6H8O	7	C1	1574.450207
dsgdb9nsd_003195	C6H8O	7	C1	1571.876684
dsgdb9nsd_003196	C5H6O2	7	C1	1372.0066
dsgdb9nsd_003197	C6H10O	7	C1	1723.484711
dsgdb9nsd_003198	C7H12	7	C2V	1925.715455
dsgdb9nsd_003199	C6H10O	7	C2V	1727.064201
dsgdb9nsd_003200	C5H8O2	7	C1	1527.43375
dsgdb9nsd_003201	C5H8O2	7	CS	1525.480659
dsgdb9nsd_003202	C5H8O2	7	C2	1519.451309
dsgdb9nsd_003203	C6H8O	7	C1	1564.645754
dsgdb9nsd_003204	C5H7NO	7	C1	1435.107694
dsgdb9nsd_003205	C5H7NO	7	C1	1427.99916
dsgdb9nsd_003206	C5H6O2	7	C1	1358.463652
dsgdb9nsd_003207	C5H7NO	7	C1	1428.149298
dsgdb9nsd_003208	C5H7NO	7	C1	1438.321057
dsgdb9nsd_003209	C5H6O2	7	C1	1368.080687
dsgdb9nsd_003210	C4H6N2O	7	C1	1293.683249
dsgdb9nsd_003211	C4H5NO2	7	C1	1237.199199
dsgdb9nsd_003212	C4H5NO2	7	C1	1231.68686
dsgdb9nsd_003213	C4H4O3	7	C1	1158.428565
dsgdb9nsd_003214	C5H9NO	7	C1	1557.829696
dsgdb9nsd_003215	C7H12	7	C1	1886.781345
dsgdb9nsd_003217	C5H9NO	7	C1	1562.488929
dsgdb9nsd_003218	C6H10O	7	C1	1687.059128
dsgdb9nsd_003219	C5H8O2	7	C1	1493.504531
dsgdb9nsd_003220	C5H8O2	7	C1	1500.053133
dsgdb9nsd_003221	C4H7NO2	7	C1	1368.122241
dsgdb9nsd_003222	C4H6O3	7	C1	1297.697741
dsgdb9nsd_003223	C7H10	7	C1	1719.123313
dsgdb9nsd_003225	C6H9N	7	C1	1586.664253
dsgdb9nsd_003226	C6H8O	7	C1	1519.682132
dsgdb9nsd_003227	C6H9N	7	C1	1584.354685
dsgdb9nsd_003228	C6H9N	7	C1	1586.480512
dsgdb9nsd_003229	C6H9N	7	C1	1588.20455
dsgdb9nsd_003230	C5H8N2	7	C1	1448.79431
dsgdb9nsd_003231	C5H7NO	7	C1	1381.84888
dsgdb9nsd_003232	C6H8O	7	C1	1522.780441
dsgdb9nsd_003233	C5H7NO	7	C1	1383.455329
dsgdb9nsd_003234	C5H6O2	7	C1	1315.613564
dsgdb9nsd_003235	C6H8O	7	C1	1521.268852
dsgdb9nsd_003236	C5H7NO	7	C1	1388.628536
dsgdb9nsd_003237	C5H6O2	7	C1	1321.173198
dsgdb9nsd_003238	C5H7NO	7	C1	1385.883966
dsgdb9nsd_003239	C7H12	7	C2	1884.028762
dsgdb9nsd_003240	C6H10O	7	C1	1683.67089
dsgdb9nsd_003241	C6H11N	7	C1	1745.544877
dsgdb9nsd_003242	C5H10N2	7	C1	1612.913741
dsgdb9nsd_003243	C5H8O2	7	C1	1483.805845
dsgdb9nsd_003244	C5H9NO	7	C1	1545.647195
dsgdb9nsd_003245	C6H10O	7	C2	1677.963208
dsgdb9nsd_003246	C7H10	7	C1	1732.594179
dsgdb9nsd_003247	C6H9N	7	C1	1598.507666
dsgdb9nsd_003248	C6H8O	7	C1	1531.026393
dsgdb9nsd_003250	C6H8O	7	C1	1526.980237
dsgdb9nsd_003251	C5H8N2	7	C1	1466.868102
dsgdb9nsd_003252	C5H7NO	7	C1	1398.925867
dsgdb9nsd_003253	C5H8N2	7	C1	1465.035059
dsgdb9nsd_003254	C6H8O	7	C1	1535.519945
dsgdb9nsd_003255	C5H7NO	7	C1	1399.650452
dsgdb9nsd_003256	C5H6O2	7	C1	1331.231014
dsgdb9nsd_003257	C5H7NO	7	C1	1397.41119
dsgdb9nsd_003258	C7H8	7	CS	1634.256425
dsgdb9nsd_003259	C7H10	7	C1	1772.143668
dsgdb9nsd_003260	C6H8O	7	C1	1565.864635
dsgdb9nsd_003261	C7H10	7	C1	1767.148473
dsgdb9nsd_003262	C5H7NO	7	C1	1440.964862
dsgdb9nsd_003263	C6H10O	7	CS	1710.006573
dsgdb9nsd_003264	C7H12	7	C1	1913.530168
dsgdb9nsd_003265	C5H9NO	7	C1	1589.758509
dsgdb9nsd_003266	C4H7NO2	7	C1	1391.523965
dsgdb9nsd_003267	C6H10O	7	C1	1708.014418
dsgdb9nsd_003268	C5H8O2	7	CS	1508.150089
dsgdb9nsd_003273	C4H6N2O	7	C1	1297.697477
dsgdb9nsd_003274	C5H7NO	7	C1	1436.950608
dsgdb9nsd_003275	C4H6N2O	7	C1	1299.087838
dsgdb9nsd_003276	C4H5NO2	7	C1	1230.04751
dsgdb9nsd_003277	C6H8O	7	C1	1564.069964
dsgdb9nsd_003278	C5H7NO	7	C1	1439.392342
dsgdb9nsd_003280	C5H6O2	7	C1	1362.255385
dsgdb9nsd_003281	C5H7NO	7	C1	1424.914762
dsgdb9nsd_003282	C5H7NO	7	C1	1451.549886
dsgdb9nsd_003283	C4H5NO2	7	C1	1244.947485
dsgdb9nsd_003284	C5H6O2	7	C1	1383.856301
dsgdb9nsd_003285	C4H5NO2	7	C1	1245.581389
dsgdb9nsd_003286	C4H4O3	7	C1	1175.84976
dsgdb9nsd_003288	C6H10O	7	C1	1687.972907
dsgdb9nsd_003289	C6H10O	7	C1	1687.090396
dsgdb9nsd_003290	C6H10O	7	C1	1690.21225
dsgdb9nsd_003291	C5H8O2	7	C1	1489.028299
dsgdb9nsd_003292	C5H9NO	7	C1	1547.5019
dsgdb9nsd_003293	C6H10O	7	C1	1693.032215
dsgdb9nsd_003294	C5H8O2	7	C1	1489.702947
dsgdb9nsd_003295	C5H8O2	7	C1	1492.204118
dsgdb9nsd_003296	C5H9NO	7	C1	1554.679378
dsgdb9nsd_003297	C7H8	7	C1	1582.846554
dsgdb9nsd_003298	C6H7N	7	C1	1446.940252
dsgdb9nsd_003300	C6H6O	7	C1	1380.686017
dsgdb9nsd_003301	C6H6O	7	C1	1375.283059
dsgdb9nsd_003302	C6H7N	7	C1	1493.650961
dsgdb9nsd_003303	C5H6N2	7	C1	1356.245952
dsgdb9nsd_003304	C5H6N2	7	C1	1359.049665
dsgdb9nsd_003305	C5H5NO	7	C1	1290.517338
dsgdb9nsd_003306	C5H6N2	7	C1	1356.751279
dsgdb9nsd_003307	C5H6N2	7	C1	1353.88619
dsgdb9nsd_003308	C5H5NO	7	C1	1283.7705
dsgdb9nsd_003309	C6H8O	7	C1	1555.433557
dsgdb9nsd_003310	C5H7NO	7	C1	1419.190796
dsgdb9nsd_003311	C5H7NO	7	C1	1421.488774
dsgdb9nsd_003312	C5H6O2	7	C1	1353.223371
dsgdb9nsd_003313	C5H7NO	7	C1	1419.292578
dsgdb9nsd_003314	C5H6O2	7	C1	1347.444956
dsgdb9nsd_003315	C5H7NO	7	C1	1433.498866
dsgdb9nsd_003316	C5H7NO	7	C1	1419.968933
dsgdb9nsd_003317	C7H12	7	C1	1885.545836
dsgdb9nsd_003318	C6H10O	7	C1	1685.320104
dsgdb9nsd_003319	C6H10O	7	C1	1682.412275
dsgdb9nsd_003320	C6H10O	7	C1	1681.693645
dsgdb9nsd_003321	C5H9NO	7	C1	1546.085278
dsgdb9nsd_003322	C5H8O2	7	C1	1478.338342
dsgdb9nsd_003323	C5H9NO	7	C1	1545.563429
dsgdb9nsd_003324	C6H10O	7	C1	1688.290238
dsgdb9nsd_003325	C5H9NO	7	C1	1554.613722
dsgdb9nsd_003326	C5H9NO	7	C1	1555.684831
dsgdb9nsd_003327	C5H8O2	7	C1	1488.047257
dsgdb9nsd_003328	C5H9NO	7	C1	1552.75731
dsgdb9nsd_003329	C5H8O2	7	C1	1485.659671
dsgdb9nsd_003330	C7H10	7	CS	1766.906825
dsgdb9nsd_003331	C5H7NO	7	C1	1442.462168
dsgdb9nsd_003332	C6H8O	7	CS	1569.949257
dsgdb9nsd_003334	C5H7NO	7	C1	1443.993655
dsgdb9nsd_003335	C6H8O	7	C1	1558.467716
dsgdb9nsd_003336	C6H9N	7	C1	1633.318135
dsgdb9nsd_003337	C6H8O	7	C1	1568.854178
dsgdb9nsd_003338	C7H12	7	C1	1908.638147
dsgdb9nsd_003339	C6H10O	7	C1	1701.468346
dsgdb9nsd_003340	C6H10O	7	C1	1705.031339
dsgdb9nsd_003341	C5H9NO	7	C1	1564.069983
dsgdb9nsd_003342	C5H8O2	7	C1	1500.998225
dsgdb9nsd_003343	C5H8O2	7	C1	1494.850087
dsgdb9nsd_003344	C5H9NO	7	C1	1573.595891
dsgdb9nsd_003345	C5H8O2	7	C1	1507.75846
dsgdb9nsd_003346	C6H10O	7	C1	1713.343631
dsgdb9nsd_003347	C7H10	7	C1	1754.245691
dsgdb9nsd_003348	C6H8O	7	C1	1549.76805
dsgdb9nsd_003349	C5H7NO	7	C1	1432.285746
dsgdb9nsd_003350	C6H8O	7	C1	1548.250098
dsgdb9nsd_003351	C7H10	7	C1	1766.465943
dsgdb9nsd_003352	C5H7NO	7	C1	1450.241849
dsgdb9nsd_003353	C6H8O	7	C1	1565.53486
dsgdb9nsd_003354	C6H8O	7	C1	1566.500289
dsgdb9nsd_003355	C7H12	7	CS	1910.19781
dsgdb9nsd_003356	C6H10O	7	C1	1707.472388
dsgdb9nsd_003357	C6H10O	7	C1	1708.937999
dsgdb9nsd_003358	C5H8O2	7	C1	1509.651223
dsgdb9nsd_003359	C6H10O	7	C1	1708.180784
dsgdb9nsd_003360	C5H8O2	7	C1	1509.474378
dsgdb9nsd_003361	C5H8O2	7	C1	1504.087925
dsgdb9nsd_003362	C7H10	7	C1	1763.783798
dsgdb9nsd_003363	C5H7NO	7	C1	1443.958427
dsgdb9nsd_003364	C6H8O	7	C1	1567.686615
dsgdb9nsd_003365	C4H5NO2	7	C1	1245.413894
dsgdb9nsd_003366	C7H12	7	C1	1905.885288
dsgdb9nsd_003367	C6H10O	7	C1	1701.499113
dsgdb9nsd_003368	C6H10O	7	C1	1704.936133
dsgdb9nsd_003369	C5H8O2	7	C1	1499.045434
dsgdb9nsd_003370	C5H9NO	7	CS	1565.374926
dsgdb9nsd_003371	C6H10O	7	C1	1710.667114
dsgdb9nsd_003372	C5H8O2	7	C1	1505.683688
dsgdb9nsd_003373	C5H8O2	7	CS	1509.602371
dsgdb9nsd_003374	C4H6O3	7	C1	1300.187416
dsgdb9nsd_003375	C7H8	7	C1	1583.391634
dsgdb9nsd_003376	C6H7N	7	C1	1447.144594
dsgdb9nsd_003377	C6H6O	7	C1	1375.795666
dsgdb9nsd_003378	C6H7N	7	CS	1494.154725
dsgdb9nsd_003379	C5H6N2	7	C1	1356.299761
dsgdb9nsd_003380	C5H5NO	7	C1	1285.592455
dsgdb9nsd_003381	C6H8O	7	C1	1554.719627
dsgdb9nsd_003382	C5H7NO	7	C1	1417.051905
dsgdb9nsd_003383	C5H6O2	7	C1	1348.334482
dsgdb9nsd_003384	C5H7NO	7	C1	1427.230116
dsgdb9nsd_003385	C7H12	7	C1	1884.844587
dsgdb9nsd_003386	C6H10O	7	C1	1679.493785
dsgdb9nsd_003387	C6H10O	7	C1	1679.545486
dsgdb9nsd_003388	C5H8O2	7	C1	1472.351927
dsgdb9nsd_003389	C6H10O	7	C1	1688.032451
dsgdb9nsd_003390	C5H9NO	7	C1	1551.421424
dsgdb9nsd_003391	C5H8O2	7	C1	1482.769745
dsgdb9nsd_003392	C6H8O	7	C1	1564.174996
dsgdb9nsd_003393	C5H7NO	7	C1	1435.858704
dsgdb9nsd_003394	C5H7NO	7	C1	1426.893519
dsgdb9nsd_003395	C5H7NO	7	C1	1443.291642
dsgdb9nsd_003396	C5H7NO	7	C1	1428.354217
dsgdb9nsd_003397	C5H6O2	7	C1	1374.640578
dsgdb9nsd_003398	C5H7NO	7	C1	1422.15837
dsgdb9nsd_003399	C5H6O2	7	C1	1368.152405
dsgdb9nsd_003400	C4H5NO2	7	C1	1244.996337
dsgdb9nsd_003401	C4H5NO2	7	C1	1230.44815
dsgdb9nsd_003402	C4H4O3	7	C1	1176.638018
dsgdb9nsd_003403	C5H9NO	7	C1	1555.840171
dsgdb9nsd_003404	C7H12	7	C1	1884.412158
dsgdb9nsd_003405	C6H10O	7	C1	1691.207292
dsgdb9nsd_003406	C6H10O	7	C1	1682.312708
dsgdb9nsd_003407	C6H10O	7	C1	1689.75782
dsgdb9nsd_003408	C5H8O2	7	C1	1487.046411
dsgdb9nsd_003409	C5H9NO	7	C1	1551.39522
dsgdb9nsd_003410	C5H8O2	7	C1	1499.185563
dsgdb9nsd_003411	C6H6O	7	C1	1442.183912
dsgdb9nsd_003412	C5H5NO	7	C1	1311.778816
dsgdb9nsd_003413	C5H5NO	7	C1	1305.217332
dsgdb9nsd_003414	C5H4O2	7	C1	1234.470762
dsgdb9nsd_003415	C5H7NO	7	C1	1453.43239
dsgdb9nsd_003416	C4H6N2O	7	C1	1317.067648
dsgdb9nsd_003417	C4H6N2O	7	C1	1318.88302
dsgdb9nsd_003418	C4H5NO2	7	C1	1249.799087
dsgdb9nsd_003419	C6H8O	7	C1	1585.947267
dsgdb9nsd_003420	C5H7NO	7	C1	1453.441771
dsgdb9nsd_003421	C5H7NO	7	C1	1452.616734
dsgdb9nsd_003422	C5H6O2	7	C1	1383.692791
dsgdb9nsd_003423	C5H7NO	7	C1	1446.87693
dsgdb9nsd_003424	C5H6O2	7	C1	1376.635374
dsgdb9nsd_003425	C5H7NO	7	C1	1469.993213
dsgdb9nsd_003426	C4H6N2O	7	C1	1335.992644
dsgdb9nsd_003427	C4H6N2O	7	C1	1335.36804
dsgdb9nsd_003428	C4H5NO2	7	C1	1266.008335
dsgdb9nsd_003429	C5H6O2	7	C1	1398.337344
dsgdb9nsd_003430	C4H5NO2	7	C1	1263.582359
dsgdb9nsd_003431	C4H5NO2	7	C1	1262.869125
dsgdb9nsd_003432	C4H4O3	7	C1	1192.953466
dsgdb9nsd_003433	C7H10	7	C1	1766.620179
dsgdb9nsd_003434	C6H9N	7	C1	1633.58103
dsgdb9nsd_003435	C6H8O	7	C1	1565.883667
dsgdb9nsd_003436	C4H6N2O	7	C1	1321.969507
dsgdb9nsd_003437	C7H10	7	C1	1763.876506
dsgdb9nsd_003438	C6H9N	7	C1	1631.080317
dsgdb9nsd_003439	C6H8O	7	C1	1563.442191
dsgdb9nsd_003440	C6H8O	7	C1	1568.059356
dsgdb9nsd_003441	C5H7NO	7	C1	1436.661332
dsgdb9nsd_003442	C5H6O2	7	C1	1367.27718
dsgdb9nsd_003443	C7H12	7	C1	1909.649366
dsgdb9nsd_003444	C6H10O	7	C1	1712.212595
dsgdb9nsd_003447	C5H9NO	7	C1	1575.845368
dsgdb9nsd_003448	C5H8O2	7	C1	1508.069523
dsgdb9nsd_003449	C6H10O	7	C1	1714.417174
dsgdb9nsd_003451	C5H8O2	7	C1	1516.464991
dsgdb9nsd_003452	C5H9NO	7	C1	1575.845412
dsgdb9nsd_003453	C5H8O2	7	C1	1507.080938
dsgdb9nsd_003455	C5H5NO	7	C1	1288.661077
dsgdb9nsd_003456	C5H4O2	7	C1	1217.296379
dsgdb9nsd_003457	C6H8O	7	CS	1576.480627
dsgdb9nsd_003458	C5H6O2	7	C1	1366.828417
dsgdb9nsd_003459	C5H7NO	7	C1	1442.316831
dsgdb9nsd_003460	C5H6O2	7	CS	1370.839175
dsgdb9nsd_003461	C7H10	7	C1	1745.166018
dsgdb9nsd_003463	C6H9N	7	CS	1600.728774
dsgdb9nsd_003464	C6H8O	7	C1	1551.845238
dsgdb9nsd_003465	C5H7NO	7	C1	1422.089144
dsgdb9nsd_003466	C5H6O2	7	C1	1349.929385
dsgdb9nsd_003467	C7H12	7	C1	1902.734093
dsgdb9nsd_003468	C6H10O	7	C1	1697.490739
dsgdb9nsd_003469	C6H10O	7	C1	1702.588237
dsgdb9nsd_003470	C6H10O	7	C1	1706.471812
dsgdb9nsd_003471	C5H8O2	7	C1	1501.653062
dsgdb9nsd_003472	C5H8O2	7	C1	1508.900565
dsgdb9nsd_003473	C7H10	7	C1	1735.072189
dsgdb9nsd_003474	C6H9N	7	C1	1602.305762
dsgdb9nsd_003475	C6H8O	7	C1	1528.499632
dsgdb9nsd_003476	C6H9N	7	C1	1595.330768
dsgdb9nsd_003477	C6H8O	7	C1	1535.872084
dsgdb9nsd_003478	C5H6O2	7	C1	1329.531116
dsgdb9nsd_003479	C6H7N	7	C1	1424.932038
dsgdb9nsd_003480	C6H7N	7	C1	1422.656858
dsgdb9nsd_003481	C7H8	7	CS	1553.894427
dsgdb9nsd_003482	C6H7N	7	C1	1424.947437
dsgdb9nsd_003483	C5H5NO	7	C1	1224.130447
dsgdb9nsd_003484	C6H6O	7	C1	1356.200182
dsgdb9nsd_003485	C7H10	7	C2	1748.654946
dsgdb9nsd_003486	C6H8O	7	C1	1547.73057
dsgdb9nsd_003487	C5H7NO	7	C1	1412.544028
dsgdb9nsd_003488	C5H6O2	7	C2	1345.322656
dsgdb9nsd_003489	C6H8O	7	C2	1546.08472
dsgdb9nsd_003490	C7H10	7	C1	1779.239978
dsgdb9nsd_003491	C6H9N	7	CS	1645.411736
dsgdb9nsd_003492	C6H8O	7	CS	1574.58489
dsgdb9nsd_003493	C5H6O2	7	CS	1372.443591
dsgdb9nsd_003494	C7H8	7	C1	1571.836511
dsgdb9nsd_003495	C6H6O	7	C1	1363.07532
dsgdb9nsd_003496	C6H7N	7	C1	1427.02844
dsgdb9nsd_003497	C6H7N	7	C1	1482.485088
dsgdb9nsd_003498	C5H6N2	7	CS	1344.31753
dsgdb9nsd_003499	C5H5NO	7	CS	1272.321426
dsgdb9nsd_003500	C5H6N2	7	C1	1336.040353
dsgdb9nsd_003501	C6H8O	7	C1	1542.129496
dsgdb9nsd_003502	C5H6O2	7	C1	1332.941479
dsgdb9nsd_003503	C5H7NO	7	C1	1396.44834
dsgdb9nsd_003504	C5H7NO	7	C1	1414.343543
dsgdb9nsd_003505	C7H12	7	C1	1873.052517
dsgdb9nsd_003506	C6H10O	7	C1	1665.231354
dsgdb9nsd_003507	C6H10O	7	C1	1670.205057
dsgdb9nsd_003508	C5H8O2	7	C1	1461.576321
dsgdb9nsd_003509	C6H10O	7	C1	1675.349951
dsgdb9nsd_003510	C5H8O2	7	C1	1467.064481
dsgdb9nsd_003511	C5H9NO	7	C1	1534.005425
dsgdb9nsd_003512	C7H12	7	C1	1886.452919
dsgdb9nsd_003513	C6H10O	7	C1	1686.763646
dsgdb9nsd_003514	C6H10O	7	C1	1683.538661
dsgdb9nsd_003515	C6H11N	7	C1	1748.444065
dsgdb9nsd_003516	C5H9NO	7	C1	1544.544836
dsgdb9nsd_003517	C5H9NO	7	C1	1553.723336
dsgdb9nsd_003518	C6H10O	7	C1	1686.06632
dsgdb9nsd_003519	C5H8O2	7	C1	1486.200942
dsgdb9nsd_003520	C5H8O2	7	C1	1482.670354
dsgdb9nsd_003521	C7H10	7	C2V	1718.163851
dsgdb9nsd_003522	C6H8O	7	CS	1508.711772
dsgdb9nsd_003523	C5H7NO	7	C1	1377.057405
dsgdb9nsd_003524	C6H8O	7	CS	1521.184578
dsgdb9nsd_003525	C5H6O2	7	CS	1309.232037
dsgdb9nsd_003526	C7H10	7	C1	1718.03481
dsgdb9nsd_003527	C6H9N	7	C1	1580.76129
dsgdb9nsd_003528	C6H9N	7	C1	1579.133373
dsgdb9nsd_003529	C6H8O	7	C1	1511.436826
dsgdb9nsd_003530	C6H9N	7	C1	1575.641195
dsgdb9nsd_003531	C5H8N2	7	C1	1438.527558
dsgdb9nsd_003532	C5H7NO	7	CS	1367.233041
dsgdb9nsd_003533	C6H8O	7	CS	1523.856112
dsgdb9nsd_003534	C5H7NO	7	C1	1383.162219
dsgdb9nsd_003536	C7H8	7	C2V	1591.730689
dsgdb9nsd_003537	C6H7N	7	CS	1451.022013
dsgdb9nsd_003538	C6H6O	7	C2V	1382.832476
dsgdb9nsd_003539	C7H10	7	C2V	1747.193545
dsgdb9nsd_003540	C6H8O	7	CS	1544.927303
dsgdb9nsd_003541	C6H8O	7	C2V	1538.053778
dsgdb9nsd_003542	C5H6O2	7	CS	1334.020287
dsgdb9nsd_003543	C5H5NO	7	C1	1272.863161
dsgdb9nsd_003545	C5H5NO	7	C1	1280.79234
dsgdb9nsd_003546	C5H5NO	7	C1	1274.949894
dsgdb9nsd_003547	C5H4O2	7	C1	1199.763049
dsgdb9nsd_003548	C5H5NO	7	C1	1280.859546
dsgdb9nsd_003549	C6H9N	7	C1	1598.969225
dsgdb9nsd_003550	C7H10	7	C1	1733.771123
dsgdb9nsd_003551	C6H9N	7	C1	1606.93387
dsgdb9nsd_003552	C6H9N	7	C1	1593.099909
dsgdb9nsd_003553	C6H8O	7	C1	1527.777381
dsgdb9nsd_003554	C6H9N	7	C1	1600.469299
dsgdb9nsd_003555	C6H9N	7	C1	1592.909096
dsgdb9nsd_003556	C5H7NO	7	C1	1401.384643
dsgdb9nsd_003557	C6H8O	7	C1	1541.292179
dsgdb9nsd_003558	C5H7NO	7	C1	1413.100271
dsgdb9nsd_003559	C5H6O2	7	C1	1337.209153
dsgdb9nsd_003560	C7H10	7	CS	1742.843028
dsgdb9nsd_003561	C6H8O	7	CS	1542.7245
dsgdb9nsd_003562	C6H9N	7	C1	1607.402375
dsgdb9nsd_003563	C6H8O	7	CS	1543.416662
dsgdb9nsd_003564	C5H7NO	7	CS	1406.870702
dsgdb9nsd_003565	C5H6O2	7	CS	1337.779113
dsgdb9nsd_003566	C7H10	7	CS	1729.107353
dsgdb9nsd_003567	C6H8O	7	C1	1529.534408
dsgdb9nsd_003568	C5H7NO	7	C1	1393.178771
dsgdb9nsd_003569	C6H8O	7	C1	1529.630341
dsgdb9nsd_003570	C5H7NO	7	C1	1394.356173
dsgdb9nsd_003571	C5H6O2	7	C1	1326.503201
dsgdb9nsd_003573	C6H9N	7	C1	1576.178431
dsgdb9nsd_003574	C6H9N	7	C1	1576.583187
dsgdb9nsd_003575	C6H9N	7	C1	1579.178805
dsgdb9nsd_003576	C6H8O	7	C1	1513.140283
dsgdb9nsd_003577	C6H9N	7	C1	1571.035508
dsgdb9nsd_003578	C5H8N2	7	C1	1439.115108
dsgdb9nsd_003579	C5H7NO	7	C1	1372.520166
dsgdb9nsd_003580	C6H8O	7	C1	1517.447119
dsgdb9nsd_003582	C5H7NO	7	C1	1390.292566
dsgdb9nsd_003583	C5H6O2	7	CS	1321.640548
dsgdb9nsd_003584	C5H8N2	7	C1	1486.483246
dsgdb9nsd_003585	C5H7NO	7	C1	1419.263399
dsgdb9nsd_003586	C7H10	7	CS	1752.428455
dsgdb9nsd_003587	C6H8O	7	C1	1556.622424
dsgdb9nsd_003588	C5H8N2	7	CS	1487.672464
dsgdb9nsd_003589	C5H7NO	7	C1	1420.952661
dsgdb9nsd_003590	C5H6O2	7	CS	1353.367541
dsgdb9nsd_003591	C6H8O	7	C1	1546.085611
dsgdb9nsd_003592	C7H12	7	C1	1884.017938
dsgdb9nsd_003593	C6H10O	7	C1	1685.248794
dsgdb9nsd_003594	C6H11N	7	C1	1746.589536
dsgdb9nsd_003595	C6H11N	7	C1	1746.62285
dsgdb9nsd_003596	C5H10N2	7	C1	1624.712978
dsgdb9nsd_003597	C5H9NO	7	C1	1553.616484
dsgdb9nsd_003598	C6H10O	7	C1	1687.406429
dsgdb9nsd_003599	C5H9NO	7	C1	1556.101723
dsgdb9nsd_003600	C5H8O2	7	C1	1485.530461
dsgdb9nsd_003601	C6H11N	7	C1	1744.525651
dsgdb9nsd_003602	C5H10N2	7	C1	1611.933075
dsgdb9nsd_003603	C5H9NO	7	C1	1543.293457
dsgdb9nsd_003604	C6H10O	7	C1	1686.634379
dsgdb9nsd_003605	C5H8O2	7	C1	1488.356538
dsgdb9nsd_003606	C5H9NO	7	C1	1550.017058
dsgdb9nsd_003607	C7H10	7	C1	1739.53557
dsgdb9nsd_003608	C6H9N	7	C1	1607.86131
dsgdb9nsd_003609	C6H8O	7	CS	1539.521353
dsgdb9nsd_003610	C5H7NO	7	CS	1398.936867
dsgdb9nsd_003611	C7H8	7	C1	1607.481021
dsgdb9nsd_003612	C6H6O	7	C1	1401.214488
dsgdb9nsd_003613	C7H8	7	C1	1561.81435
dsgdb9nsd_003614	C5H5NO	7	C1	1217.267457
dsgdb9nsd_003615	C7H10	7	C1	1756.195941
dsgdb9nsd_003616	C6H8O	7	C1	1553.526072
dsgdb9nsd_003617	C6H8O	7	C1	1551.390438
dsgdb9nsd_003618	C5H7NO	7	C1	1416.718428
dsgdb9nsd_003619	C6H8O	7	C1	1551.80514
dsgdb9nsd_003620	C5H6O2	7	C1	1343.493849
dsgdb9nsd_003621	C6H7N	7	CS	1449.151212
dsgdb9nsd_003622	C6H7N	7	C1	1446.938727
dsgdb9nsd_003623	C7H8	7	C1	1579.17664
dsgdb9nsd_003624	C6H7N	7	C1	1440.986272
dsgdb9nsd_003625	C6H7N	7	C1	1445.301686
dsgdb9nsd_003626	C5H5NO	7	CS	1246.85133
dsgdb9nsd_003627	C6H6O	7	CS	1378.71954
dsgdb9nsd_003628	C7H8	7	C1	1599.243754
dsgdb9nsd_003629	C6H7N	7	C1	1465.81238
dsgdb9nsd_003630	C6H7N	7	C1	1467.378562
dsgdb9nsd_003631	C6H6O	7	C2	1393.776793
dsgdb9nsd_003632	C5H4N2	7	CS	1230.625924
dsgdb9nsd_003633	C5H3NO	7	CS	1139.54041
dsgdb9nsd_003634	C4H3N3	7	CS	1092.645232
dsgdb9nsd_003635	C4H2N2O	7	C1	1004.726325
dsgdb9nsd_003636	C5H4N2	7	CS	1230.864176
dsgdb9nsd_003637	C4H3N3	7	C1	1092.186541
dsgdb9nsd_003638	C5H3NO	7	CS	1140.004654
dsgdb9nsd_003639	C4H2N2O	7	C1	1004.674273
dsgdb9nsd_003640	C4H2N2O	7	C1	1018.870126
dsgdb9nsd_003641	C5H4N2	7	CS	1229.91478
dsgdb9nsd_003642	C4H3N3	7	CS	1108.313115
dsgdb9nsd_003643	C4H3N3	7	CS	1096.068064
dsgdb9nsd_003644	C3H2N4	7	C1	959.0192862
dsgdb9nsd_003646	C4H2N2O	7	C1	1018.794831
dsgdb9nsd_003647	C4H2N2O	7	CS	993.3985738
dsgdb9nsd_003648	C3HN3O	7	C1	859.3038035
dsgdb9nsd_003650	C4H5N3	7	C1	1227.598228
dsgdb9nsd_003651	C4H5N3	7	C1	1244.288657
dsgdb9nsd_003652	C5H8N2	7	C1	1535.570804
dsgdb9nsd_003653	C5H7NO	7	C1	1448.798941
dsgdb9nsd_003654	C4H7N3	7	C1	1400.824591
dsgdb9nsd_003655	C4H6N2O	7	C1	1316.930462
dsgdb9nsd_003656	C4H7N3	7	C1	1406.369146
dsgdb9nsd_003657	C4H6N2O	7	C1	1318.67047
dsgdb9nsd_003658	C3H6N4	7	C1	1273.880505
dsgdb9nsd_003659	C3H5N3O	7	C1	1188.828771
dsgdb9nsd_003660	C4H7N3	7	C1	1407.755917
dsgdb9nsd_003661	C3H6N4	7	C1	1271.973209
dsgdb9nsd_003662	C4H6N2O	7	C1	1322.710307
dsgdb9nsd_003663	C3H5N3O	7	C1	1189.87417
dsgdb9nsd_003664	C4H6N2O	7	C1	1336.391432
dsgdb9nsd_003665	C3H5N3O	7	C1	1205.654924
dsgdb9nsd_003666	C3H4N2O2	7	C1	1118.946884
dsgdb9nsd_003667	C4H6N2O	7	C1	1338.105939
dsgdb9nsd_003668	C5H8N2	7	C1	1537.811628
dsgdb9nsd_003669	C5H7NO	7	C1	1451.522175
dsgdb9nsd_003670	C4H7N3	7	C1	1412.278177
dsgdb9nsd_003671	C4H6N2O	7	C1	1326.282637
dsgdb9nsd_003672	C4H6N2O	7	C1	1344.449489
dsgdb9nsd_003673	C4H5NO2	7	C1	1257.513808
dsgdb9nsd_003674	C4H5N3	7	C1	1259.267032
dsgdb9nsd_003675	C4H5N3	7	C1	1260.154751
dsgdb9nsd_003676	C3H4N4	7	C1	1095.745229
dsgdb9nsd_003677	C5H8N2	7	C1	1536.360186
dsgdb9nsd_003678	C4H7N3	7	C1	1410.812089
dsgdb9nsd_003679	C4H6N2O	7	C1	1342.787668
dsgdb9nsd_003680	C5H7NO	7	C1	1448.387546
dsgdb9nsd_003681	C4H6N2O	7	C1	1323.19957
dsgdb9nsd_003682	C4H5NO2	7	C1	1254.297891
dsgdb9nsd_003683	C4H7N3	7	C1	1421.582336
dsgdb9nsd_003684	C4H6N2O	7	C1	1336.153694
dsgdb9nsd_003685	C3H6N4	7	C1	1297.78482
dsgdb9nsd_003686	C3H5N3O	7	C1	1212.356223
dsgdb9nsd_003687	C3H5N3O	7	CS	1228.302049
dsgdb9nsd_003688	C3H4N2O2	7	C1	1141.262804
dsgdb9nsd_003689	C4H5N3	7	C1	1260.187651
dsgdb9nsd_003690	C3H4N4	7	C1	1117.096704
dsgdb9nsd_003691	C4H7N3	7	C1	1415.520136
dsgdb9nsd_003692	C4H6N2O	7	C2V	1342.671115
dsgdb9nsd_003693	C3H5N3O	7	C1	1235.742385
dsgdb9nsd_003694	C3H4N2O2	7	C1	1162.074891
dsgdb9nsd_003695	C4H7N3	7	C1	1410.008632
dsgdb9nsd_003696	C3H6N4	7	C1	1296.798438
dsgdb9nsd_003697	C4H6N2O	7	C1	1340.734049
dsgdb9nsd_003698	C3H5N3O	7	C1	1228.917987
dsgdb9nsd_003699	C4H7N3	7	C1	1406.883791
dsgdb9nsd_003700	C4H6N2O	7	C1	1336.745806
dsgdb9nsd_003702	C3H6N4	7	C1	1278.92501
dsgdb9nsd_003703	C3H5N3O	7	C1	1209.848375
dsgdb9nsd_003704	C3H4N2O2	7	C1	1127.741098
dsgdb9nsd_003705	C3H4N2O2	7	C1	1150.710763
dsgdb9nsd_003706	C3H3NO3	7	C1	1076.314473
dsgdb9nsd_003707	C4H6N2O	7	C1	1326.133183
dsgdb9nsd_003708	C3H5N3O	7	C1	1214.071796
dsgdb9nsd_003709	C4H6N2O	7	C1	1318.672629
dsgdb9nsd_003710	C4H6N2O	7	CS	1306.324503
dsgdb9nsd_003711	C3H5N3O	7	C1	1180.281633
dsgdb9nsd_003712	C5H8N2	7	C1	1533.800914
dsgdb9nsd_003713	C5H7NO	7	C1	1446.563225
dsgdb9nsd_003714	C4H7N3	7	C1	1396.868106
dsgdb9nsd_003715	C4H6N2O	7	C1	1312.769113
dsgdb9nsd_003716	C5H8N2	7	C1	1532.028419
dsgdb9nsd_003717	C4H7N3	7	C1	1397.266079
dsgdb9nsd_003718	C5H7NO	7	C1	1443.012287
dsgdb9nsd_003719	C4H6N2O	7	C1	1311.041141
dsgdb9nsd_003720	C4H7N3	7	C1	1416.32422
dsgdb9nsd_003721	C4H6N2O	7	C1	1329.523787
dsgdb9nsd_003722	C5H8N2	7	C1	1534.195027
dsgdb9nsd_003723	C4H7N3	7	C1	1416.069501
dsgdb9nsd_003725	C3H6N4	7	C1	1267.747415
dsgdb9nsd_003726	C5H7NO	7	C1	1445.632779
dsgdb9nsd_003727	C4H6N2O	7	C1	1328.783815
dsgdb9nsd_003728	C4H6N2O	7	C1	1300.905864
dsgdb9nsd_003729	C3H5N3O	7	C1	1170.055387
dsgdb9nsd_003730	C5H8N2	7	C1	1530.616981
dsgdb9nsd_003731	C4H7N3	7	C1	1394.003977
dsgdb9nsd_003732	C4H7N3	7	C1	1411.406748
dsgdb9nsd_003733	C4H7N3	7	C1	1402.754026
dsgdb9nsd_003735	C4H7N3	7	C1	1398.984438
dsgdb9nsd_003736	C3H6N4	7	C1	1264.907778
dsgdb9nsd_003737	C2H5N5	7	C1	1118.709473
dsgdb9nsd_003738	C5H8N2	7	C1	1529.736359
dsgdb9nsd_003739	C4H7N3	7	C1	1395.611575
dsgdb9nsd_003740	C4H7N3	7	C1	1400.149058
dsgdb9nsd_003741	C3H6N4	7	C1	1268.877196
dsgdb9nsd_003742	C4H6N2O	7	C1	1330.230532
dsgdb9nsd_003743	C3H5N3O	7	C1	1200.666675
dsgdb9nsd_003744	C5H8N2	7	C1	1532.037003
dsgdb9nsd_003745	C4H7N3	7	C1	1406.426394
dsgdb9nsd_003746	C4H6N2O	7	C1	1338.486492
dsgdb9nsd_003747	C4H7N3	7	C1	1414.454254
dsgdb9nsd_003748	C3H6N4	7	C1	1290.660705
dsgdb9nsd_003749	C3H5N3O	7	C1	1221.259748
dsgdb9nsd_003750	C3H5N3O	7	C1	1227.098448
dsgdb9nsd_003751	C3H5N3O	7	C1	1192.948929
dsgdb9nsd_003752	C3H4N2O2	7	C1	1141.140346
dsgdb9nsd_003753	C4H7N3	7	C1	1400.210215
dsgdb9nsd_003754	C3H6N4	7	C1	1273.721419
dsgdb9nsd_003755	C3H5N3O	7	C1	1204.758853
dsgdb9nsd_003756	C5H8N2	7	C1	1531.849146
dsgdb9nsd_003757	C4H7N3	7	C1	1404.287797
dsgdb9nsd_003758	C4H6N2O	7	C1	1334.841365
dsgdb9nsd_003760	C3H6N4	7	C1	1289.764264
dsgdb9nsd_003761	C3H5N3O	7	C1	1221.972128
dsgdb9nsd_003762	C3H5N3O	7	C1	1228.203053
dsgdb9nsd_003763	C3H5N3O	7	C1	1203.120626
dsgdb9nsd_003764	C3H4N2O2	7	C1	1153.241879
dsgdb9nsd_003765	C3H6N4	7	C1	1268.046505
dsgdb9nsd_003766	C2H5N5	7	C1	1143.460662
dsgdb9nsd_003767	C2H4N4O	7	C1	1073.154837
dsgdb9nsd_003768	C4H7N3	7	C1	1395.900154
dsgdb9nsd_003769	C3H6N4	7	C1	1267.348325
dsgdb9nsd_003770	C3H5N3O	7	C1	1196.970732
dsgdb9nsd_003771	C2H5N5	7	C1	1128.485092
dsgdb9nsd_003772	C2H4N4O	7	C1	1079.014251
dsgdb9nsd_003773	C2H4N4O	7	C1	1047.235155
dsgdb9nsd_003774	C2H3N3O2	7	C1	994.777413
dsgdb9nsd_003776	C2H5N5	7	C1	1122.039339
dsgdb9nsd_003778	C2H3N3O2	7	C1	954.4635923
dsgdb9nsd_003779	C4H7N3	7	C1	1399.675866
dsgdb9nsd_003780	C4H6N2O	7	C1	1314.146001
dsgdb9nsd_003781	C3H6N4	7	C1	1261.954248
dsgdb9nsd_003783	C4H7N3	7	C1	1395.685439
dsgdb9nsd_003784	C3H6N4	7	C1	1263.799991
dsgdb9nsd_003785	C4H6N2O	7	C1	1307.408331
dsgdb9nsd_003786	C3H5N3O	7	C1	1176.716821
dsgdb9nsd_003787	C3H6N4	7	C1	1284.659593
dsgdb9nsd_003788	C3H5N3O	7	C1	1201.134439
dsgdb9nsd_003789	C4H7N3	7	C1	1401.624151
dsgdb9nsd_003790	C3H6N4	7	C1	1285.765234
dsgdb9nsd_003791	C3H6N4	7	C1	1267.836032
dsgdb9nsd_003792	C2H5N5	7	C1	1136.197183
dsgdb9nsd_003793	C4H6N2O	7	C1	1313.203049
dsgdb9nsd_003794	C3H5N3O	7	C1	1199.072713
dsgdb9nsd_003795	C3H5N3O	7	C1	1167.693598
dsgdb9nsd_003796	C2H4N4O	7	C1	1039.163783
dsgdb9nsd_003797	C4H6N2O	7	C1	1324.261818
dsgdb9nsd_003798	C4H5NO2	7	C1	1240.249453
dsgdb9nsd_003800	C4H6N2O	7	C1	1322.584881
dsgdb9nsd_003801	C3H5N3O	7	C1	1190.738759
dsgdb9nsd_003802	C4H5NO2	7	C1	1233.320518
dsgdb9nsd_003803	C3H4N2O2	7	C1	1102.049491
dsgdb9nsd_003804	C3H4N2O2	7	C1	1124.337097
dsgdb9nsd_003805	C4H6N2O	7	C1	1330.062416
dsgdb9nsd_003806	C3H5N3O	7	C1	1211.803469
dsgdb9nsd_003807	C3H5N3O	7	C1	1195.328935
dsgdb9nsd_003808	C2H4N4O	7	C1	1061.810726
dsgdb9nsd_003809	C4H5NO2	7	CS	1241.323586
dsgdb9nsd_003810	C3H4N2O2	7	C1	1124.069094
dsgdb9nsd_003811	C3H4N2O2	7	C1	1095.145694
dsgdb9nsd_003812	C2H3N3O2	7	CS	963.2708764
dsgdb9nsd_003813	C4H3N3	7	CS	1137.253043
dsgdb9nsd_003814	C4H2N2O	7	C1	1044.234468
dsgdb9nsd_003815	C3HN3O	7	C1	908.0187779
dsgdb9nsd_003816	C4H3N3	7	C1	1139.81059
dsgdb9nsd_003817	C3H2N4	7	C1	999.3107487
dsgdb9nsd_003818	C4H2N2O	7	C1	1047.07996
dsgdb9nsd_003819	C3HN3O	7	C1	909.947422
dsgdb9nsd_003820	C3HN3O	7	CS	921.2064987
dsgdb9nsd_003821	C4H3N3	7	CS	1138.210014
dsgdb9nsd_003822	C3H2N4	7	CS	1014.949791
dsgdb9nsd_003823	C3H2N4	7	CS	1002.856924
dsgdb9nsd_003824	C4H2N2O	7	CS	1044.732848
dsgdb9nsd_003826	C3HN3O	7	CS	897.5663521
dsgdb9nsd_003828	C3H4N4	7	C1	1112.329188
dsgdb9nsd_003829	C4H4N2O	7	CS	1164.060563
dsgdb9nsd_003831	C3H4N4	7	C1	1134.263268
dsgdb9nsd_003832	C3H4N4	7	C1	1114.175779
dsgdb9nsd_003833	C2H3N5	7	C1	970.3130516
dsgdb9nsd_003834	C3H3N3O	7	C1	1044.28748
dsgdb9nsd_003835	C3H3N3O	7	CS	1009.581874
dsgdb9nsd_003837	C2H3N5	7	C1	986.7254684
dsgdb9nsd_003838	C2H2N4O	7	C1	972.9186843
dsgdb9nsd_003839	CH2N6	7	C1	824.3881458
dsgdb9nsd_003841	C4H5N3	7	CS	1259.610374
dsgdb9nsd_003842	C3H4N4	7	C1	1131.94602
dsgdb9nsd_003843	C3H4N4	7	CS	1129.189741
dsgdb9nsd_003844	C3H4N4	7	CS	1115.101312
dsgdb9nsd_003845	C2H3N5	7	C1	990.5243293
dsgdb9nsd_003846	C4H4N2O	7	CS	1169.228424
dsgdb9nsd_003847	C3H3N3O	7	C1	1036.23972
dsgdb9nsd_003848	C3H3N3O	7	CS	1038.633525
dsgdb9nsd_003849	C3H3N3O	7	C1	1029.110704
dsgdb9nsd_003850	C2H2N4O	7	C1	898.2067318
dsgdb9nsd_003851	C3H6N4	7	C1	1279.839799
dsgdb9nsd_003852	C3H5N3O	7	C1	1194.189942
dsgdb9nsd_003853	C2H5N5	7	C1	1145.761056
dsgdb9nsd_003855	C3H5N3O	7	C1	1208.426407
dsgdb9nsd_003856	C2H4N4O	7	C1	1076.919354
dsgdb9nsd_003857	C2H3N3O2	7	C1	991.0366595
dsgdb9nsd_003858	C3H5N3O	7	C1	1211.386118
dsgdb9nsd_003859	C2H4N4O	7	C1	1076.229834
dsgdb9nsd_003860	C3H6N4	7	C1	1284.61595
dsgdb9nsd_003861	C3H5N3O	7	C1	1201.060751
dsgdb9nsd_003862	C3H5N3O	7	C1	1216.968412
dsgdb9nsd_003863	C3H4N2O2	7	C1	1132.481223
dsgdb9nsd_003864	C3H4N4	7	C1	1138.032555
dsgdb9nsd_003865	C3H4N4	7	C1	1142.306434
dsgdb9nsd_003866	C2H3N5	7	C1	977.1054779
dsgdb9nsd_003867	C3H6N4	7	C1	1281.608887
dsgdb9nsd_003868	C3H5N3O	7	C1	1212.706311
dsgdb9nsd_003869	C3H5N3O	7	C1	1194.068764
dsgdb9nsd_003870	C3H4N2O2	7	C1	1124.099453
dsgdb9nsd_003871	C2H5N5	7	C1	1172.899009
dsgdb9nsd_003872	C2H4N4O	7	C1	1090.45122
dsgdb9nsd_003873	C2H4N4O	7	C1	1103.30626
dsgdb9nsd_003874	C2H3N3O2	7	C1	1019.556872
dsgdb9nsd_003875	C3H4N4	7	C1	1142.727179
dsgdb9nsd_003876	C2H3N5	7	C1	1002.629803
dsgdb9nsd_003877	C2H5N5	7	CS	1163.829709
dsgdb9nsd_003878	C2H4N4O	7	C2	1092.136968
dsgdb9nsd_003879	C2H4N4O	7	C1	1109.919633
dsgdb9nsd_003880	C2H3N3O2	7	C1	1037.096616
dsgdb9nsd_003881	C3H5N3O	7	C1	1215.361372
dsgdb9nsd_003882	C2H4N4O	7	C1	1104.949538
dsgdb9nsd_003883	C2H5N5	7	C1	1152.470406
dsgdb9nsd_003884	C2H4N4O	7	C1	1082.441877
dsgdb9nsd_003885	C2H4N4O	7	C1	1076.792509
dsgdb9nsd_003886	C2H3N3O2	7	C1	1002.870566
dsgdb9nsd_003887	C2H3N3O2	7	C1	1025.116744
dsgdb9nsd_003888	C2H2N2O3	7	C1	951.5451397
dsgdb9nsd_003890	C3H5N3O	7	C1	1198.287353
dsgdb9nsd_003891	C2H5N5	7	C1	1138.027039
dsgdb9nsd_003892	C2H4N4O	7	C1	1038.286387
dsgdb9nsd_003893	C4H4N2O	7	C1	1198.365252
dsgdb9nsd_003894	C4H3NO2	7	C1	1103.741482
dsgdb9nsd_003896	C3H2N2O2	7	CS	981.7999079
dsgdb9nsd_003897	C3H2N2O2	7	C2V	946.4329956
dsgdb9nsd_003899	C2HN3O2	7	C1	924.4871058
dsgdb9nsd_003901	C4H4N2O	7	CS	1207.738243
dsgdb9nsd_003902	C3H3N3O	7	CS	1076.783843
dsgdb9nsd_003903	C3H3N3O	7	CS	1075.704025
dsgdb9nsd_003904	C3H3N3O	7	CS	1062.242001
dsgdb9nsd_003905	C2H2N4O	7	C1	933.9892437
dsgdb9nsd_003906	C4H3NO2	7	CS	1113.005449
dsgdb9nsd_003907	C3H2N2O2	7	C1	980.9583737
dsgdb9nsd_003908	C3H2N2O2	7	CS	980.5475558
dsgdb9nsd_003909	C3H2N2O2	7	C1	972.0075092
dsgdb9nsd_003911	C4H4N2O	7	C1	1205.241865
dsgdb9nsd_003912	C4H3NO2	7	C1	1110.455357
dsgdb9nsd_003913	C3H2N2O2	7	C1	974.8476172
dsgdb9nsd_003914	C4H4N2O	7	C1	1204.295129
dsgdb9nsd_003915	C3H3N3O	7	C1	1063.105034
dsgdb9nsd_003916	C4H3NO2	7	C1	1112.108286
dsgdb9nsd_003918	C3H2N2O2	7	C1	990.0279944
dsgdb9nsd_003919	C4H4N2O	7	C1	1201.297491
dsgdb9nsd_003920	C3H3N3O	7	C1	1066.884724
dsgdb9nsd_003921	C4H3NO2	7	C1	1108.039991
dsgdb9nsd_003922	C3H2N2O2	7	CS	989.3711112
dsgdb9nsd_003923	C3H2N2O2	7	C1	961.9529621
dsgdb9nsd_003924	C2HN3O2	7	C1	829.1284655
dsgdb9nsd_003925	C4H4N2O	7	C1	1203.481055
dsgdb9nsd_003926	C3H3N3O	7	C1	1062.789572
dsgdb9nsd_003927	C3H3N3O	7	CS	1081.545386
dsgdb9nsd_003928	C3H3N3O	7	C1	1076.894856
dsgdb9nsd_003929	C2H2N4O	7	C1	927.9151714
dsgdb9nsd_003930	C3H3N3O	7	C1	1069.943701
dsgdb9nsd_003931	C2H2N4O	7	C1	931.5814207
dsgdb9nsd_003933	C3H4N2O2	7	C1	1138.374547
dsgdb9nsd_003934	C3H3N3O	7	C1	1070.420784
dsgdb9nsd_003935	C3H3N3O	7	C1	1073.732384
dsgdb9nsd_003937	C2H3N3O2	7	C1	1034.958578
dsgdb9nsd_003939	C2H2N4O	7	C1	929.9613355
dsgdb9nsd_003940	C2H3N3O2	7	C1	1027.682273
dsgdb9nsd_003941	C2H4N4O	7	C1	1090.243326
dsgdb9nsd_003942	C2H3N3O2	7	C1	1041.16626
dsgdb9nsd_003943	C2H2N2O3	7	C1	966.0197633
dsgdb9nsd_003944	C2H3N3O2	7	C1	1011.672303
dsgdb9nsd_003945	C2H2N2O3	7	CS	931.0678983
dsgdb9nsd_003946	C2HNO4	7	CS	879.6469336
dsgdb9nsd_003947	C4H6N2O	7	C1	1335.727929
dsgdb9nsd_003948	C4H5NO2	7	C1	1246.807906
dsgdb9nsd_003949	C3H5N3O	7	C1	1196.102334
dsgdb9nsd_003950	C3H4N2O2	7	C1	1112.572467
dsgdb9nsd_003951	C4H6N2O	7	C1	1334.6002
dsgdb9nsd_003952	C3H5N3O	7	C1	1198.807377
dsgdb9nsd_003953	C4H5NO2	7	C1	1244.31286
dsgdb9nsd_003954	C3H4N2O2	7	C1	1111.936041
dsgdb9nsd_003956	C3H4N2O2	7	C1	1129.795783
dsgdb9nsd_003957	C4H6N2O	7	C1	1335.246403
dsgdb9nsd_003958	C3H5N3O	7	C1	1217.949447
dsgdb9nsd_003959	C3H5N3O	7	C1	1201.874637
dsgdb9nsd_003960	C4H5NO2	7	C1	1246.044786
dsgdb9nsd_003961	C3H4N2O2	7	C1	1129.344271
dsgdb9nsd_003962	C3H4N2O2	7	C1	1101.157034
dsgdb9nsd_003963	C2H3N3O2	7	C1	969.485787
dsgdb9nsd_004208	C6H5F	7	C2V	1379.711745
dsgdb9nsd_004209	C5H4FN	7	C2V	1249.981178
dsgdb9nsd_004210	C5H4FN	7	CS	1247.937675
dsgdb9nsd_004211	C4H3FN2	7	CS	1120.9621
dsgdb9nsd_004212	C4H3FN2	7	C2V	1118.560521
dsgdb9nsd_004213	C5H4FN	7	CS	1254.864306
dsgdb9nsd_004214	C4H3FN2	7	C2V	1128.695031
dsgdb9nsd_004215	C4H3FN2	7	CS	1120.9621
dsgdb9nsd_004216	C4H3FN2	7	CS	1127.533273
dsgdb9nsd_004217	C3H2FN3	7	C2V	1003.691261
dsgdb9nsd_004218	C3H2FN3	7	C1	970.2484432
dsgdb9nsd_004219	C3H2FN3	7	CS	973.4546465
dsgdb9nsd_004220	C2HFN4	7	CS	805.9507244
dsgdb9nsd_004221	C3H2FN3	7	C1	973.4376284
dsgdb9nsd_004222	C2HFN4	7	C1	829.7129216
dsgdb9nsd_004223	C4H3F3	7	C1	1041.669648
dsgdb9nsd_004224	C4H3F3	7	C1	1044.632748
dsgdb9nsd_004225	C3H2F3N	7	C1	952.0178364
dsgdb9nsd_005337	C8H6	8	C1	1660.08476
dsgdb9nsd_005338	C7H5N	8	C2V	1529.407971
dsgdb9nsd_005339	C7H5N	8	C1	1529.58821
dsgdb9nsd_005340	C6H4N2	8	C1	1396.03461
dsgdb9nsd_005341	C6H4N2	8	CS	1401.469627
dsgdb9nsd_005342	C7H5N	8	C1	1528.585425
dsgdb9nsd_005343	C6H4N2	8	C2V	1399.057022
dsgdb9nsd_005344	C6H4N2	8	C1	1396.035614
dsgdb9nsd_005346	C5H3N3	8	C1	1273.368576
dsgdb9nsd_005348	C6H4N2	8	C2V	1436.676775
dsgdb9nsd_005349	C6H4N2	8	CS	1437.407265
dsgdb9nsd_005350	C5H3N3	8	C1	1302.523063
dsgdb9nsd_005351	C5H3N3	8	CS	1308.083776
dsgdb9nsd_005352	C6H4N2	8	C1	1436.39454
dsgdb9nsd_005353	C5H3N3	8	C1	1305.723587
dsgdb9nsd_005355	C5H3N3	8	C1	1306.512386
dsgdb9nsd_005356	C4H2N4	8	CS	1178.088343
dsgdb9nsd_008605	C7H5N	8	C1	1473.580854
dsgdb9nsd_008606	C6H4N2	8	C1	1379.622626
dsgdb9nsd_008607	C5H3N3	8	C1	1283.354311
dsgdb9nsd_008608	C7H5N	8	C1	1433.57455
dsgdb9nsd_008609	C6H4N2	8	C1	1341.022421
dsgdb9nsd_008610	C5H3N3	8	C1	1246.581168
dsgdb9nsd_008611	C4H2N4	8	C1	1149.34544
dsgdb9nsd_008612	C7H4O	8	C1	1363.621209
dsgdb9nsd_008613	C6H3NO	8	C1	1270.235622
dsgdb9nsd_008614	C5H2N2O	8	C1	1174.675212
dsgdb9nsd_008718	C6H2O2	8	C1	1210.089765
dsgdb9nsd_008719	C5HNO2	8	C1	1112.937308
dsgdb9nsd_008720	C4N2O2	8	C2H	1013.676173
dsgdb9nsd_008959	C7H2O	8	CS	1243.358913
dsgdb9nsd_008961	C6HNO	8	CS	1146.814512
dsgdb9nsd_008962	C5N2O	8	CS	1047.473935
dsgdb9nsd_008974	C6H2O2	8	C1	1208.794215
dsgdb9nsd_008975	C5HNO2	8	C1	1111.304396
dsgdb9nsd_008977	C6H2O2	8	CS	1215.04704
dsgdb9nsd_008978	C5HNO2	8	CS	1113.53951
dsgdb9nsd_009020	C8H6	8	C1	1576.697927
dsgdb9nsd_009021	C7H5N	8	C1	1482.282101
dsgdb9nsd_009022	C7H5N	8	C1	1485.549449
dsgdb9nsd_009023	C6H4N2	8	C1	1389.770095
dsgdb9nsd_009024	C6H4N2	8	C1	1350.72289
dsgdb9nsd_009025	C6H4N2	8	C1	1353.608812
dsgdb9nsd_009026	C5H3N3	8	C1	1257.351961
dsgdb9nsd_009027	C7H4O	8	C1	1376.146983
dsgdb9nsd_009028	C6H3NO	8	C1	1280.811065
dsgdb9nsd_009029	C6H3NO	8	C1	1283.316729
dsgdb9nsd_009030	C5H2N2O	8	C1	1186.413939
dsgdb9nsd_009970	C7H5N	8	C1	1479.116994
dsgdb9nsd_009971	C6H4N2	8	C1	1386.016258
dsgdb9nsd_009973	C7H5N	8	C1	1478.356446
dsgdb9nsd_009974	C6H4N2	8	C1	1384.727768
dsgdb9nsd_010004	C8H6	8	C1	1568.714363
dsgdb9nsd_010005	C7H5N	8	C1	1477.193056
dsgdb9nsd_014563	C7HN	8	C*V	1187.331464
dsgdb9nsd_014565	C8H6	8	C1	1570.922713
dsgdb9nsd_014566	C7H5N	8	C1	1480.383446
dsgdb9nsd_014567	C6H4N2	8	C2	1389.1524
dsgdb9nsd_014569	C8H6	8	C1	1579.327042
dsgdb9nsd_014570	C7H5N	8	C1	1485.03267
dsgdb9nsd_014571	C6H4N2	8	C1	1393.769872
dsgdb9nsd_014582	C7H2O	8	C1	1249.00808
dsgdb9nsd_014584	C6H2O2	8	C1	1213.970416
dsgdb9nsd_014634	C8H6	8	C1	1581.325308
dsgdb9nsd_014635	C7H5N	8	C1	1490.425399
dsgdb9nsd_014638	C7H5N	8	C1	1486.431351
dsgdb9nsd_014656	C8H6	8	C1	1586.447825
dsgdb9nsd_014657	C7H5N	8	C1	1491.301101
dsgdb9nsd_014658	C7H4O	8	C1	1384.266623
dsgdb9nsd_014659	C6H3NO	8	C1	1288.602894
dsgdb9nsd_019631	C7H5N	8	C1	1414.441127
dsgdb9nsd_019632	C7H5N	8	C1	1414.684707
dsgdb9nsd_019633	C8H6	8	C1	1546.579122
dsgdb9nsd_019634	C7H5N	8	C1	1413.984658
dsgdb9nsd_019635	C6H4N2	8	C1	1322.167581
dsgdb9nsd_019636	C6H4N2	8	C1	1323.124614
dsgdb9nsd_019637	C7H5N	8	C1	1456.10184
dsgdb9nsd_019638	C6H4N2	8	C1	1321.650964
dsgdb9nsd_020306	C5H3N3	8	C1	1247.141961
dsgdb9nsd_020307	C5H3N3	8	C1	1247.476317
dsgdb9nsd_020308	C4H2N4	8	C1	1082.098887
dsgdb9nsd_020309	C5H3N3	8	CS	1245.670307
dsgdb9nsd_020310	C4H2N4	8	CS	1101.342432
dsgdb9nsd_021322	C4H2N4	8	C1	1152.083879
dsgdb9nsd_021323	C4H2N4	8	CS	1151.754035
dsgdb9nsd_021324	C3HN5	8	C1	984.8368468
dsgdb9nsd_021325	C4H2N4	8	CS	1150.840883
dsgdb9nsd_021326	C3HN5	8	C1	1004.292026