0 B11R1.16 NCCC(=O)C1=CC=CC=C1 AC9010 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.16 NCCC(=O)C1=CC=CC=C1 D76552 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.15 C[C@H](ON)C1=CC=CC=C1 D74249 [1,0,0,0,0,0|2,0,1]=4 3 B10R1.15 NC[C@H](F)C1=CC=CC=C1 E72838 [1,0,0,0,0,0|2,0,1]=4 4 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 72623 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 AC4819 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 W11733 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 W11734 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.15 O=C(CBr)C1=CN=CN=C1 O10670 [1,0,0,0,0,0|3,0,0]=4 9 B12R1.16 CCOC(=O)C1=NC=C(O)C=N1 AT23880 [0,1,0,0,0,0|2,0,0]=3 10 B12R1.17 CCOC(=O)C1=NC(O)=NC=C1 C90447 [0,1,0,0,0,0|2,0,0]=3 11 B12R1.308 CCOC(=O)C1=NN=CC=C1C P12979 [0,1,0,0,0,0|2,0,0]=3 12 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 W16102 [0,0,0,1,0,0|2,0,1]=4 13 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 W16103 [0,0,0,1,0,0|2,0,1]=4 14 B12R2.1081 O=C1CCOC2=C1C=CC=N2 AT19775 [0,0,0,1,0,0|3,0,0]=4 15 B12R2.1081 O=C1CCOC2=C1C=CN=C2 AT19772 [0,0,0,1,0,0|3,0,0]=4 16 B12R2.1081 O=C1COCC2=C1C=CN=C2 P20308 [0,0,0,1,0,0|3,0,0]=4 17 B12R2.1081 OB1OCCC2=C1C=NC=C2 AT12937 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.6 C=C(F)C1=CC=CC=C1 CS3204 [2,0,0,0,0,0|1,0,1]=4 19 B9R1.6 C[P@H](=O)C1=CC=CC=C1 O11981 [2,0,0,0,0,0|1,0,0]=3 20 B9R1.8 CCOC1=CN=CC=C1 F31361 [2,0,0,0,0,0|1,0,0]=3 21 B9R1.8 I\C=C/C1=CC=CC=C1 AT23642 [2,0,0,0,0,0|1,0,1]=4 22 B11R1.12 NC\C(=C\Cl)C1=CC=CC=C1 42349 [1,1,0,0,0,0|2,0,0]=4 23 B11R1.22 CNC(=S)C1=CC=C(Br)C=C1 AC9075 [1,1,0,0,0,0|1,1,0]=4 24 B11R1.22 COC(=O)C1=CN=C(Br)N=C1 AT22353 [1,1,0,0,0,0|2,0,0]=4 25 B11R1.22 COC(=O)C1=NN=C(F)C=C1 AT24744 [1,1,0,0,0,0|2,0,0]=4 26 B11R1.22 O=C(CO)C1=CN=C(Cl)C=C1 C91057 [1,1,0,0,0,0|2,0,0]=4 27 B11R1.23 CC1=CC=CC(C(=O)CBr)=N1 F53403 [1,1,0,0,0,0|2,0,0]=4 28 B11R1.23 CC[C@H](N)C1=CC=CC(Cl)=C1 F13059 [1,1,0,0,0,0|1,0,1]=4 29 B11R1.23 CC[C@H](N)C1=CC=CC(Cl)=C1 F13081 [1,1,0,0,0,0|1,0,1]=4 30 B11R1.23 COC(=O)C1=CN=NC(C)=C1 E71799 [1,1,0,0,0,0|2,0,0]=4 31 B11R1.36 CC(C)[C@H](C)C1=CC=CC=C1 T70930 [1,1,0,0,0,0|1,0,1]=4 32 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 N15520 [1,1,0,0,0,0|1,0,1]=4 33 B11R1.222 C=CC(=O)C1=C(F)C=CC=C1 F13144 [1,1,0,0,0,0|0,0,2]=4 34 B11R1.222 CC[C@H](O)C1=C(F)C=CC=C1 AT26732 [1,1,0,0,0,0|0,0,2]=4 35 B11R1.222 COC(=O)C1=NN=CC=C1C F51619 [1,1,0,0,0,0|2,0,0]=4 36 B11R1.222 O=C(CCl)C1=NC=CC=C1F 78963 [1,1,0,0,0,0|2,0,0]=4 37 B11R1.222 O=C(NO)C1=C(Br)C=CC=C1 D76830 [1,1,0,0,0,0|2,0,0]=4 38 B11R1.15 CCOC(=O)C1=CC(=O)CC1 AC9467 [0,1,0,0,1,0|0,0,2]=4 39 B11R1.15 CCOC(=O)C1=CN=C(I)O1 C91096 [0,1,0,0,1,0|2,0,0]=4 40 B11R1.199 CCOC(=O)C1=C(Br)OC=N1 AT24610 [0,1,0,0,1,0|2,0,0]=4 41 B11R1.199 CCOC(=O)C1=C(Br)ON=C1 AT19753 [0,1,0,0,1,0|2,0,0]=4 42 B11R1.199 CCOC(=O)C1=C(Cl)N=CS1 AT21334 [0,1,0,0,1,0|2,0,0]=4 43 B11R1.199 CCOC(=O)C1=CON=C1O AT24762 [0,1,0,0,1,0|2,0,0]=4 44 B11R1.199 CCOC(=O)C1=NNC=C1O D72562 [0,1,0,0,1,0|2,0,0]=4 45 B11R1.199 CCOC(=O)C1=NOC=C1Br AT19739 [0,1,0,0,1,0|2,0,0]=4 46 B13R1.19 CCOC(=O)CC1=NC=C(N)N=C1 96606 [0,1,0,0,0,1|2,0,0]=4 47 B13R1.19 CCOC(=O)CC1=NC=C(O)C=N1 P14062 [0,1,0,0,0,1|2,0,0]=4 48 B13R1.19 CCOC(=O)NC1=CC=C(Br)C=C1 D86004 [0,1,0,0,0,1|0,0,0]=2 49 B13R1.20 CCOC(=O)CC1=CC(F)=NC=C1 AT23308 [0,1,0,0,0,1|1,0,0]=3 50 B13R1.20 CCOC(=O)CC1=NC=NC(C)=C1 P10095 [0,1,0,0,0,1|2,0,0]=4 51 B13R1.47 CCOC(=O)[C@H](Br)C1=CC=NC=C1 93364 [0,1,0,0,0,1|1,0,0]=3 52 B13R1.470 CCOC(=O)CC1=C(Br)C=CN=C1 AT23275 [0,1,0,0,0,1|1,0,0]=3 53 B13R1.470 CCOC(=O)CC1=C(Cl)C=CN=C1 AT23276 [0,1,0,0,0,1|1,0,0]=3 54 B13R1.466 CCOC(=O)C1=CC=C(N)C(I)=N1 D85820 [0,2,0,0,0,0|1,0,0]=3 55 B13R1.466 CCOC(=O)C1=CN=C(F)C(N)=C1 AT14235 [0,2,0,0,0,0|1,0,0]=3 56 B13R1.466 CCOC(=O)C1=NC(N)=C(Br)C=C1 AT19226 [0,2,0,0,0,0|1,0,0]=3 57 B13R1.1511 CCOC(=O)C1=NC=C(Br)C=C1N 78746 [0,2,0,0,0,0|1,0,0]=3 58 B13R1.1511 NC1=C(C(=O)CCCl)C=CC(Br)=C1 80091 [0,2,0,0,0,0|2,0,0]=4 59 B13R1.18 O=C(NCCO)C1=CC(O)=CC=C1 D86005 [0,2,0,0,0,0|1,0,0]=3 60 B13R1.446 CCOC(=O)C1=C(C)C=NC(N)=C1 AT18129 [0,2,0,0,0,0|1,0,0]=3 61 B13R1.446 CCOC(=O)C1=C(Cl)C=NC(Cl)=N1 87858 [0,2,0,0,0,0|2,0,0]=4 62 B13R1.446 CCOC(=O)C1=CC(Cl)=NC=C1N AT14224 [0,2,0,0,0,0|1,0,0]=3 63 B13R1.446 CCOC(=O)C1=NC(C)=CN=C1O P19289 [0,2,0,0,0,0|2,0,0]=4 64 B13R1.450 CCOC(=O)C1=NC(O)=CC(C)=N1 F52984 [0,2,0,0,0,0|2,0,0]=4 65 B13R1.4453 CCOC(=O)C1=C(C)NC=CC1=O CS2865 [0,2,0,0,0,0|1,0,0]=3 66 B13R1.4453 CCOC(=O)C1=C(Cl)C=CN=C1C CS1938 [0,2,0,0,0,0|1,0,0]=3 67 B13R1.4453 CCOC(=O)C1=C(N)N=CN=C1C AT10450 [0,2,0,0,0,0|2,0,0]=4 68 B11R2.1 NC1=C2C=CC=CC2=NO1 AC2203 [1,0,0,1,0,0|2,0,0]=4 69 B11R2.40 OC1(C2=CC=CC=C2)CC1 D72927 [1,0,0,1,0,0|0,0,2]=4 70 B11R2.20 C1=CC2=C(C=N1)COCC2 AT22006 [1,0,0,1,0,0|1,0,1]=4 71 B11R2.20 C1=CN=C2COCCC2=C1 AT22005 [1,0,0,1,0,0|1,0,1]=4 72 B11R2.106 O=C1CCCC2=C1SC=C2 AC9282 [0,0,0,1,1,0|2,0,0]=4 73 B11R2.202 C[C@@H]1NC(=O)C2=C1NC=C2 AT13717 [0,0,0,1,1,0|2,0,0]=4 74 B13R2.15 O=C1COC[C@@H]1C2=CC=CC=C2 E73015 [0,0,0,1,0,1|2,0,0]=4 75 B13R2.2931 NC[C@@H]1OB(O)C2=C1C=CC=C2 A11709 [0,1,0,1,0,0|1,0,1]=4 76 B13R2.5179 O=C1C=C2CCCC(=O)C2=CN1 AC7991 [0,1,0,1,0,0|2,0,0]=4 77 B13R2.5179 O=C1CCSC2=C1C=CC(F)=C2 74748 [0,1,0,1,0,0|2,0,0]=4 78 B13R2.5179 O=C1CNCC2=C1C=CC(Br)=C2 AT26200 [0,1,0,1,0,0|2,0,0]=4 79 B13R2.5179 O=C1COCC2=C1C=CC(Cl)=C2 AT26633 [0,1,0,1,0,0|2,0,0]=4 80 B13R2.5179 O=C1NCCC2=C1C=CC(O)=N2 89004 [0,1,0,1,0,0|2,0,0]=4 81 B13R2.5179 OB1OCCC2=C1C=CC(F)=C2 E72977 [0,1,0,1,0,0|1,0,1]=4 82 B13R2.5187 C[C@@H]1NC(=O)C2=C1C=C(Cl)C=C2 D72989 [0,1,0,1,0,0|1,0,0]=3 83 B13R2.5187 C[C@@H]1NC(=O)C2=C1C=CC(F)=C2 D72991 [0,1,0,1,0,0|1,0,0]=3 84 B13R2.162 NC1=CC2=C(C=C1)CCOB2O D75431 [0,1,0,1,0,0|1,0,1]=4 85 B13R2.162 O=C1CNCC2=C1C=C(Cl)C=C2 F12584 [0,1,0,1,0,0|2,0,0]=4 86 B13R2.4857 O=C1O[C@@H](Br)C2=C(Br)C=CC=C12 AC7059 [0,1,0,1,0,0|1,0,0]=3 87 B13R2.5324 O=C(C1=CC(O)=CC=C1)C2CC2 D76045 [0,1,0,1,0,0|1,0,0]=3 88 B13R2.371 N[C@H]1CCC(=O)C2=C1C=CC=C2 AT21617 [0,1,0,1,0,0|1,0,0]=3 89 B13R2.5252 O=C1CCCCC2=CC=CN=C12 AT25946 [0,1,0,1,0,0|2,0,0]=4 90 B13R2.4818 O=C1NCCC2=CC=CC(Cl)=C12 C14656 [0,1,0,1,0,0|1,0,0]=3 91 B13R2.4818 O=C1NCCC2=CC=CC(F)=C12 AT16339 [0,1,0,1,0,0|1,0,0]=3 92 B13R2.4818 O=C1OCCC2=CC=CC(F)=C12 D96117 [0,1,0,1,0,0|0,0,0]=2 93 B9R1.11 COC(=O)C1=CON=C1 F14140 [1,0,0,0,1,0|2,0,0]=4 94 B9R1.11 COC(=O)C1=CSN=C1 F14219 [1,0,0,0,1,0|2,0,0]=4