0 B11R1.41 N#CC1=C(CCN)C=CC=C1 59512 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.20 COC1=C(CCl)C=CN=N1 F30442 [1,0,0,0,0,0|3,0,0]=4 2 B10R1.20 COC1=NC=NC=C1CO F30437 [1,0,0,0,0,0|3,0,0]=4 3 B10R1.20 COC1=NN=CC=C1CO F30441 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.20 NCC1=C(CO)C=CC=N1 C71511 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.20 O=CC1=C(CBr)C=CC=C1 AB10132 [1,0,0,0,0,0|3,0,0]=4 6 B12R1.77 CSC1=C([C@@H](N)CO)C=CC=C1 D96367 [0,1,0,0,0,0|1,1,0]=3 7 B12R1.77 N#CC1=C([C@@H](N)CO)C=CC=C1 Y12065 [0,1,0,0,0,0|3,0,0]=4 8 B12R1.77 N#CC1=C([C@@H](N)CO)C=CC=C1 Y12066 [0,1,0,0,0,0|3,0,0]=4 9 B12R1.77 N#CC1=C([C@@H](N)CO)C=CC=C1 Y12984 [0,1,0,0,0,0|3,0,0]=4 10 B12R1.77 N[C@@H](CO)C1=C(CO)C=CC=C1 Y14078 [0,1,0,0,0,0|3,0,0]=4 11 B12R1.77 N[C@@H](CO)C1=C(CO)C=CC=C1 Y14079 [0,1,0,0,0,0|3,0,0]=4 12 B12R1.77 N[C@@H](CO)C1=C(CO)C=CC=C1 Y14304 [0,1,0,0,0,0|3,0,0]=4 13 B12R2.24 C[C@H]1CC2=C(C=CC=C2)CN1 D79125 [0,0,0,1,0,0|3,0,0]=4 14 B12R2.24 C[C@H]1CC2=C(C=CC=C2)CN1 D96708 [0,0,0,1,0,0|3,0,0]=4 15 B12R2.315 C#CC1=C2CCCC2=CC=C1 D72362 [0,0,0,1,0,0|2,0,1]=4 16 B12R2.315 COC1=C2NCCC2=CC=C1 Y14696 [0,0,0,1,0,0|2,0,0]=3 17 B12R2.315 COC1=NC=CC2=C1C=NN2 79019 [0,0,0,1,0,0|2,0,1]=4 18 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 W19334 [0,0,0,1,0,0|1,0,0]=2 19 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 20130 [0,0,0,1,0,0|3,0,0]=4 20 B9R1.8 NNCC1=CC=NC=C1 78931 [2,0,0,0,0,0|2,0,0]=4 21 B9R1.15 CC1=C(CBr)C=CN=C1 D80203 [2,0,0,0,0,0|2,0,0]=4 22 B9R1.15 CC1=C(CN)N=NC=C1 P17707 [2,0,0,0,0,0|2,0,0]=4 23 B9R1.15 CSC1=C(N)N=CC=C1 D83379 [2,0,0,0,0,0|1,1,0]=4 24 B9R1.15 NCC1=C(Cl)C=CN=C1 D72882 [2,0,0,0,0,0|2,0,0]=4 25 B9R1.15 NCC1=C(O)C=NC=C1 C11102 [2,0,0,0,0,0|1,0,0]=3 26 B11R1.13 CCCC1=CC=CC(O)=C1O D82476 [1,1,0,0,0,0|1,0,0]=3 27 B11R1.86 C[C@H](N)CC1=C(F)C=CC=C1 D96033 [1,1,0,0,0,0|1,0,0]=3 28 B11R1.37 COC1=C(CO)C=CC(N)=C1 D77124 [1,1,0,0,0,0|1,0,0]=3 29 B11R1.37 COC1=NC=C(Cl)C=C1CN 79399 [1,1,0,0,0,0|1,0,0]=3 30 B11R1.37 N#CC1=C(CN)C=CC(Cl)=C1 C90576 [1,1,0,0,0,0|2,0,0]=4 31 B11R1.53 C[C@H](N)C1=C(C#N)C=CC=C1 Y12202 [1,1,0,0,0,0|2,0,0]=4 32 B11R1.53 C[C@H](N)C1=C(C#N)C=CC=C1 Y14118 [1,1,0,0,0,0|2,0,0]=4 33 B13R1.547 CC(C)C1=C([C@@H](N)CO)C=CC=C1 D96380 [0,2,0,0,0,0|2,0,0]=4 34 B13R1.2209 CC[C@H](N)C1=CC(F)=CN=C1OC Y13431 [0,2,0,0,0,0|2,0,0]=4 35 B13R1.572 CCCOC1=C([C@H](C)N)C=CC=C1 Y12203 [0,2,0,0,0,0|2,0,0]=4 36 B13R1.572 CCCOC1=C([C@H](C)N)C=CC=C1 Y12204 [0,2,0,0,0,0|2,0,0]=4 37 B11R1.267 COC1=C(Cl)C(CN)=CC=C1 78920 [0,0,1,1,0,0|1,0,1]=4 38 B11R2.20 C1=CC2=C(C=N1)CCNC2 C75219 [1,0,0,1,0,0|1,0,0]=3 39 B11R2.106 BrC1=C2CCNC2=CN=C1 P18819 [1,0,0,1,0,0|2,0,0]=4 40 B11R2.106 BrC1=C2CCNC2=NC=C1 P12726 [1,0,0,1,0,0|2,0,0]=4 41 B11R2.106 CC1=CC=CC2=C1CNC2 78626 [1,0,0,1,0,0|2,0,0]=4 42 B11R2.106 NC1=CC=CC2=C1CCO2 Y11109 [1,0,0,1,0,0|2,0,0]=4 43 B11R2.106 OC1=C2CNCC2=CC=C1 F10254 [1,0,0,1,0,0|2,0,0]=4 44 B11R2.1 C[C@H]1CCC2=C1C=CC=C2 A12834 [1,0,0,1,0,0|1,0,0]=3 45 B11R2.1 N[C@H]1COC2=C1C=CC=C2 I11132 [1,0,0,1,0,0|0,0,0]=2 46 B11R2.1 N[C@H]1COC2=C1C=CC=C2 N10468 [1,0,0,1,0,0|0,0,0]=2 47 B11R2.1 N[C@H]1COC2=NC=CC=C21 C16545 [1,0,0,1,0,0|1,0,0]=3 48 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D72211 [1,0,0,1,0,0|2,0,0]=4 49 B13R2.163 N[C@H]1CCOC2=C(C=CC=C2)C1 F50699 [0,1,0,1,0,0|0,0,0]=2 50 B13R2.163 O=C1CCCC2=C(C=CC=C2)O1 D83922 [0,1,0,1,0,0|1,0,1]=4 51 B13R2.621 COC1=C(C[C@H]2CO2)C=CC=C1 79731 [0,1,0,1,0,0|1,0,0]=3 52 B13R2.32 NC1C2=C(C=CC=C2)CCC1O D84305 [0,1,0,1,0,0|2,0,0]=4 53 B13R2.1613 CCC1=CC=CC2=C1NCCC2 Y13907 [0,1,0,1,0,0|2,0,0]=4 54 B13R2.1613 CN[C@H]1CCCC2=C1C=CC=C2 N14195 [0,1,0,1,0,0|2,0,0]=4 55 B13R2.1613 CN[C@H]1CCCC2=C1C=CC=C2 N14196 [0,1,0,1,0,0|2,0,0]=4 56 B13R2.5252 N[C@H]1CCCOC2=C1C=CC=C2 I10902 [0,1,0,1,0,0|1,0,0]=3 57 B13R2.662 NCC1=NOC2=C1C=CC(Cl)=C2 28173 [0,1,0,1,0,0|1,0,1]=4 58 B13R2.2082 COC1=CC(Br)=CN=C1C2CC2 C91468 [0,1,0,1,0,0|2,0,0]=4 59 B13R2.57 BrC[C@H]1COC2=C(C=CC=C2)O1 I10587 [0,1,0,1,0,0|1,0,0]=3 60 B13R2.57 NC[C@H]1COC2=C(C=CC=C2)O1 AC9796 [0,1,0,1,0,0|0,0,0]=2 61 B13R2.57 NC[C@H]1COC2=C(C=CC=C2)O1 FD6050 [0,1,0,1,0,0|0,0,0]=2 62 B13R2.573 N#CC1=C2CC[C@H](N)C2=CC=C1 Y10314 [0,1,0,1,0,0|2,0,0]=4 63 B13R2.155 N[C@H]1CCC2=C(C=C(Cl)C=C2)C1 20168 [0,1,0,1,0,0|1,0,0]=3 64 B13R2.611 COC1=C2OCCC2=C(Br)C=C1 D96686 [0,1,0,1,0,0|2,0,0]=4 65 B13R2.4818 O=C1NCCC2=CC=CC(Br)=C12 22945 [0,1,0,1,0,0|2,0,0]=4