0 B11R1.4 CCCCCCC1=CC=CS1 AK-88752 [1,0,0,0,0,0|1,1,1]=4 1 B11R1.25 O=C(OC)CCC1=CC=CN1 AK-86682 [1,0,0,0,0,0|1,0,0]=2 2 B13R1.33 CCOC(=O)CC(=O)C1=CSC=C1 AK-81672 [0,1,0,0,0,0|2,0,1]=4 3 B13R1.33 O=C(OCC)CC(C1=CC=CS1)=O AK-25395 [0,1,0,0,0,0|0,1,1]=3 4 B13R1.33 O=C(OCC)CC(C1=COC=C1)=O AK-86212 [0,1,0,0,0,0|2,0,1]=4 5 B13R1.41 O=C(OCC)CSC1=CN=C(N)S1 AK-28322 [0,1,0,0,0,0|2,1,0]=4 6 B11R0.62 O=C(OCC)CCC(OCC)=O AK151972 [0,0,1,0,0,0|1,0,2]=4 7 B11R1.30 O=C(OCC)CC1=NNC=C1 AK320228 [0,0,0,0,1,0|2,0,0]=3 8 B11R1.30 S1C=CN=C1CC(=O)OCC AK-31363 [0,0,0,0,1,0|1,1,0]=3 9 B13R1.42 C(C)OC(COC1=CC=CN=C1)=O AK-37073 [0,0,0,0,0,1|2,0,0]=3 10 B13R1.42 CCOC(=O)C=CC1=CC=NC=C1 AK-49599 [0,0,0,0,0,1|1,0,2]=4 11 B10R1.21 CCCCCC1=CC=CS1 AK117060 [2,0,0,0,0,0|0,1,1]=4 12 B10R1.66 CC(=O)OCC1=CC=CO1 AK-96694 [2,0,0,0,0,0|1,0,0]=3 13 B10R1.66 O=C(O)CCC1=CC=CN1 AK-35080 [2,0,0,0,0,0|1,0,0]=3 14 B10R1.66 O=C(O)CCC1=NC=CN1 AK-33774 [2,0,0,0,0,0|2,0,0]=4 15 B12R1.108 N[C@@H](CC1=CNC=N1)C(OC)=O AK-50080 [1,1,0,0,0,0|2,0,0]=4 16 B14R1.29 CCOC(=O)CC(N)C1=CC=CC=C1 AK-43947 [0,1,0,0,0,1|1,0,0]=3 17 B14R1.29 O=C(OCC)CC(C1=CC=CC=C1)=O AK-72988 [0,1,0,0,0,1|1,0,1]=4 18 B14R1.29 O=C(OCC)CC(C1=CC=NC=C1)=O AK-23981 [0,1,0,0,0,1|1,0,1]=4 19 B14R1.29 O=C(OCC)CC(C1=NC=CC=C1)=O AK-39258 [0,1,0,0,0,1|1,0,1]=4 20 B14R1.29 O=C(OCC)CC(N)C1=CC=CN=C1 AK-82823 [0,1,0,0,0,1|1,0,0]=3 21 B14R1.29 O=C(OCC)CC(O)C1=CC=CC=C1 AK-82824 [0,1,0,0,0,1|1,0,0]=3 22 B14R1.29 O=C(OCC)C[C@H](N)C1=CC=CC=C1 AK-60005 [0,1,0,0,0,1|1,0,0]=3 23 B14R1.32 O=C(OCC)CNC1=CC=CC(Br)=C1 AK312747 [0,1,0,0,0,1|2,0,0]=4 24 B14R1.60 N[C@@H](CC1=CC=CC=C1)C(OCC)=O AK-46035 [0,1,0,0,0,1|1,0,0]=3 25 B14R1.60 O=C(OCC)C(N)CC1=CC=CC=C1 AK544810 [0,1,0,0,0,1|1,0,0]=3 26 B14R1.502 BrC1=CC=C(C=C1)CCC(=O)OCC AK-35074 [0,1,0,0,0,1|1,0,0]=3 27 B14R1.502 CCOC(=O)CCC1=CC=C(F)C=C1 AK-72737 [0,1,0,0,0,1|1,0,0]=3 28 B14R1.598 CCOC(=O)CCC1=C(Br)C=CC=C1 AK-47819 [0,1,0,0,0,1|1,0,0]=3 29 B14R1.598 O=C(OCC)COC1=CC=CC=C1O AK-97218 [0,1,0,0,0,1|2,0,0]=4 30 B12R1.32 O=C(OCC)CC1=CC=CC=C1 AK116248 [0,0,1,1,0,0|1,0,1]=4 31 B12R1.32 O=C(OCC)CC1=CC=CN=C1 AK-81622 [0,0,1,1,0,0|1,0,1]=4 32 B12R1.32 O=C(OCC)C[N+]1=CC=CC=C1 AK-60276 [0,0,1,1,0,0|2,0,0]=4 33 B12R1.308 O=C(OCC)C1=CC=CC=C1O AK114211 [0,0,1,1,0,0|0,0,2]=4 34 B12R1.308 O=C(OCC)C1=NC=CC=C1O AK126269 [0,0,1,1,0,0|1,0,1]=4 35 B12R1.17 O=C(OCC)C1=CC=CC(O)=C1 AK-76827 [0,0,1,1,0,0|0,0,2]=4 36 B12R1.313 O=C1C=C(C)C(C(OCC)=O)C1 AK319288 [0,0,1,1,0,0|0,0,2]=4 37 B10R1.11 C1=C(C(=O)OCC)SC=N1 AK-29162 [0,0,0,0,2,0|1,1,0]=4 38 B10R1.11 C1=C([NH]C=N1)C(OCC)=O AK-25642 [0,0,0,0,2,0|2,0,0]=4 39 B10R1.11 C1=C[NH]C(=N1)C(OCC)=O AK-39974 [0,0,0,0,2,0|2,0,0]=4 40 B10R1.11 CCOC(=O)C1=CC=CN1 AK-25609 [0,0,0,0,2,0|1,0,0]=3 41 B10R1.11 CCOC(=O)C1=CNC=C1 AK-41135 [0,0,0,0,2,0|2,0,0]=4 42 B10R1.11 O=C(C1=CC=NO1)OCC AK-68489 [0,0,0,0,2,0|1,0,0]=3 43 B10R1.11 O=C(C1=COC=N1)OCC AK-28248 [0,0,0,0,2,0|2,0,0]=4 44 B10R1.11 O=C(C1=NC=CO1)OCC AK-68691 [0,0,0,0,2,0|1,0,0]=3 45 B10R1.11 O=C(C1=NNC=C1)OCC AK-45333 [0,0,0,0,2,0|2,0,0]=4 46 B12R1.27 C1=C(CCC(OC)=O)C=CC=C1 AK-41212 [1,0,0,0,0,1|1,0,0]=3 47 B12R1.27 O=C(CCC1=CC=CC=C1)CBr AK-40603 [1,0,0,0,0,1|2,0,0]=4 48 B12R1.27 O=C(OC)COC1=CC=CC=C1 AK139324 [1,0,0,0,0,1|2,0,0]=4 49 B14R1.520 C(C)OC(CCNC1=NC=CC=C1)=O AK-31676 [0,0,0,0,0,2|1,0,0]=3 50 B14R1.520 O=C(OCC)CNCC1=CC=CC=C1 AK-26991 [0,0,0,0,0,2|1,0,0]=3 51 B14R1.520 O=C(OCC)NCCC1=CC=CC=C1 AK-47113 [0,0,0,0,0,2|1,0,0]=3