C8 H10 N4 O2
194.19
238
1.23
1-5
-2.8709
-1.0499
0.1718
C
-2.9099
0.2747
0.1062
N
-1.8026
0.9662
-0.1184
C
-0.6411
0.2954
-0.2316
C
-0.6549
-1.0889
-0.1279
C
-1.7352
-1.7187
0.0624
N
0.6052
0.7432
-0.4434
N
1.2863
-0.4175
-0.4514
C
0.5994
-1.5633
-0.2698
N
1.0875
2.0867
-0.6139
C
-1.8349
2.1699
-0.2205
O
-4.2178
0.9810
0.2003
C
-3.8944
-1.6746
0.3323
O
-1.6764
-3.1997
0.1458
C
2.3776
-0.4481
-0.6036
H
2.1902
2.0944
-0.7699
H
0.6074
2.5547
-1.5032
H
0.8606
2.6915
0.2934
H
-4.0942
2.0097
0.6091
H
-4.6699
1.0338
-0.8167
H
-4.9101
0.4518
0.8943
H
-2.3049
-3.6334
-0.6659
H
-0.6444
-3.6030
0.0359
H
-2.0682
-3.5218
1.1381
H
caffeine_karne_a_1
caffeine_karne_a_2
1
caffeine_karne_a_1
caffeine_karne_a_6
1
caffeine_karne_a_1
caffeine_karne_a_13
2
caffeine_karne_a_2
caffeine_karne_a_3
1
caffeine_karne_a_2
caffeine_karne_a_12
1
caffeine_karne_a_3
caffeine_karne_a_4
1
caffeine_karne_a_3
caffeine_karne_a_11
2
caffeine_karne_a_4
caffeine_karne_a_5
2
caffeine_karne_a_4
caffeine_karne_a_7
1
caffeine_karne_a_5
caffeine_karne_a_6
1
caffeine_karne_a_5
caffeine_karne_a_9
1
caffeine_karne_a_6
caffeine_karne_a_14
1
caffeine_karne_a_7
caffeine_karne_a_8
1
caffeine_karne_a_7
caffeine_karne_a_10
1
caffeine_karne_a_8
caffeine_karne_a_9
2
caffeine_karne_a_8
caffeine_karne_a_15
1
caffeine_karne_a_10
caffeine_karne_a_16
1
caffeine_karne_a_10
caffeine_karne_a_17
1
caffeine_karne_a_10
caffeine_karne_a_18
1
caffeine_karne_a_12
caffeine_karne_a_19
1
caffeine_karne_a_12
caffeine_karne_a_20
1
caffeine_karne_a_12
caffeine_karne_a_21
1
caffeine_karne_a_14
caffeine_karne_a_22
1
caffeine_karne_a_14
caffeine_karne_a_23
1
caffeine_karne_a_14
caffeine_karne_a_24
1