0 B8R1.8 BrCCN1C=CN=N1 AC2862 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.8 CNCC1=CC=NS1 AT21224 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.8 N#CCC1=CN=CO1 AC7425 [0,0,0,0,0,0|1,0,2]=3 3 B8R1.8 NCCC1=CC=NO1 E73131 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.8 NCCC1=CN=CO1 AT18734 [0,0,0,0,0,0|1,0,0]=1 5 B8R1.8 NCCC1=NC=CN1 AT24211 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.8 NCCC1=NN=CS1 P12515 [0,0,0,0,0,0|2,0,0]=2 7 B7R1.1 BrCC1=NON=C1 D73995 [1,0,0,0,0,0|2,0,1]=4 8 B7R1.1 CCC1=NNC=C1 D77034 [1,0,0,0,0,0|2,0,1]=4 9 B7R1.1 CNC1=CN=CN1 57325 [1,0,0,0,0,0|1,0,0]=2 10 B7R1.1 CNC1=NN=CN1 AT21326 [1,0,0,0,0,0|2,0,0]=3 11 B7R1.1 COC1=CNC=N1 AT24767 [1,0,0,0,0,0|1,0,2]=4 12 B7R1.1 COC1=CNN=C1 AT16003 [1,0,0,0,0,0|3,0,0]=4 13 B7R1.1 ClCC1=NSN=C1 AT12132 [1,0,0,0,0,0|2,0,1]=4 14 B7R1.1 NCC1=CC=NS1 C77431 [1,0,0,0,0,0|2,0,0]=3 15 B7R1.1 NCC1=CN=CO1 P10824 [1,0,0,0,0,0|1,0,0]=2 16 B7R1.1 NCC1=CON=C1 P10602 [1,0,0,0,0,0|2,0,0]=3 17 B7R1.1 NCC1=NN=CS1 AT18927 [1,0,0,0,0,0|2,0,0]=3 18 B7R1.1 NCC1=NSN=C1 AT12135 [1,0,0,0,0,0|1,0,1]=3 19 B7R1.1 OCC1=NN=CS1 AT19532 [1,0,0,0,0,0|3,0,0]=4 20 B7R1.1 OCC1=NSN=C1 AT12125 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.7 CC1=NC=C(CCN)O1 AT18732 [0,1,0,0,0,0|1,0,0]=2 22 B9R1.7 CC1=NN=C(CCN)O1 AT18770 [0,1,0,0,0,0|2,0,0]=3 23 B9R1.7 CC1=NN=C(CCO)O1 D77017 [0,1,0,0,0,0|3,0,0]=4 24 B9R1.7 NCCC1=CC(O)=NO1 AT21056 [0,1,0,0,0,0|2,0,0]=3 25 B9R1.7 NCC[C@H]1CCC(=O)N1 AT10893 [0,1,0,0,0,0|1,0,2]=4 26 B9R1.7 NCC[C@H]1CCC(=O)N1 AT19049 [0,1,0,0,0,0|1,0,2]=4 27 B9R1.7 NCC[C@H]1CCC(=O)N1 AT19053 [0,1,0,0,0,0|1,0,2]=4 28 B9R1.7 NNCC1=CSC(Cl)=C1 P13359 [0,1,0,0,0,0|3,0,0]=4 29 B9R1.7 OCCC1=CSC(Br)=N1 C11083 [0,1,0,0,0,0|2,0,1]=4 30 B9R1.7 OCCC1=CSC(Cl)=C1 AT10864 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.11 CC[C@H](N)C1=CNC=N1 F13131 [0,1,0,0,0,0|1,0,2]=4 32 B9R1.12 ClCCCC1=CNN=C1 AT26676 [0,1,0,0,0,0|3,0,0]=4 33 B9R1.12 NCCCC1=CN=CN1 97527 [0,1,0,0,0,0|0,0,0]=1 34 B9R1.12 NCCCC1=CN=CN1 P16679 [0,1,0,0,0,0|0,0,0]=1 35 B9R1.12 NCCOC1=NOC=C1 AT19570 [0,1,0,0,0,0|2,0,1]=4 36 B9R1.13 CC(C)SC1=CN=CN1 79522 [0,1,0,0,0,0|2,0,0]=3 37 B9R1.13 C[C@H](N)CN1C=NN=N1 AT12539 [0,1,0,0,0,0|2,0,1]=4 38 B9R1.13 C[C@H](N)CN1C=NN=N1 AT12540 [0,1,0,0,0,0|2,0,1]=4 39 B9R1.13 C[C@H](N)CN1N=CN=N1 AT12537 [0,1,0,0,0,0|2,0,1]=4 40 B9R1.13 C[C@H](N)CN1N=CN=N1 AT12538 [0,1,0,0,0,0|2,0,1]=4 41 B9R1.33 CC1=C(CC#N)OC=N1 AC7475 [0,1,0,0,0,0|1,0,2]=4 42 B9R1.33 CCCC1=NON=C1N D86020 [0,1,0,0,0,0|2,0,1]=4 43 B9R1.33 CN1N=NN=C1CCCl E73187 [0,1,0,0,0,0|3,0,0]=4 44 B9R1.33 OCCN1C=CN=C1Cl AT15679 [0,1,0,0,0,0|3,0,0]=4 45 B9R1.33 [C-]#[N+]CC1=CC=CN1C AT23899 [0,1,0,0,0,0|3,0,0]=4 46 B9R2.3 C1=CC2=C(N=CS2)N1 AT19939 [0,0,0,1,0,0|1,0,2]=4 47 B9R2.3 C1CN2N=NN=C2N1 AT11911 [0,0,0,1,0,0|2,0,1]=4 48 B9R1.8 CCNC1=CN=NC=C1 D86255 [0,0,0,0,0,1|3,0,0]=4 49 B9R1.8 CCOC1=CN=CC=C1 F31361 [0,0,0,0,0,1|3,0,0]=4 50 B9R1.8 CNCC1=CN=NC=C1 P12145 [0,0,0,0,0,1|3,0,0]=4 51 B9R1.8 ClCCC1=CN=CC=C1 D87792 [0,0,0,0,0,1|2,0,0]=3 52 B9R1.8 NNCC1=CC=CN=N1 P13290 [0,0,0,0,0,1|2,0,1]=4 53 B9R1.8 NNCC1=CN=NC=C1 P12938 [0,0,0,0,0,1|2,0,0]=3 54 B9R1.8 NNCC1=NC=CC=N1 P11941 [0,0,0,0,0,1|2,0,1]=4 55 B9R1.8 OCCC1=NC=NC=C1 20262 [0,0,0,0,0,1|1,0,1]=3 56 B9R1.8 SCCC1=CN=CC=C1 F18092 [0,0,0,0,0,1|2,0,0]=3 57 B9R1.8 [C-]#[N+]CC1=CN=CN=C1 AT23892 [0,0,0,0,0,1|2,0,1]=4 58 B9R1.8 [C-]#[N+]CC1=NC=NC=C1 AT23891 [0,0,0,0,0,1|2,0,1]=4 59 B6R0.1 NCCC(=O)NO AT14832 [1,0,1,0,0,0|2,0,0]=4 60 B6R1.2 BrC1=CN=CO1 AT11056 [2,0,0,0,0,0|2,0,0]=4 61 B6R1.2 NC1=COC=C1 AC9528 [2,0,0,0,0,0|2,0,0]=4 62 B6R1.2 NC1=NSN=C1 AT12134 [2,0,0,0,0,0|1,0,1]=4 63 B8R1.1 CC1=CC(CN)=CS1 D76884 [1,1,0,0,0,0|2,0,0]=4 64 B8R1.1 CC1=COC(CN)=C1 P11789 [1,1,0,0,0,0|2,0,0]=4 65 B8R1.1 CCC1=CC=C(N)S1 AT14665 [1,1,0,0,0,0|2,0,0]=4 66 B8R1.1 CN1N=CC(CN)=N1 AT25239 [1,1,0,0,0,0|1,0,1]=4 67 B8R1.1 NC1=NC=C(CO)O1 AT18684 [1,1,0,0,0,0|2,0,0]=4 68 B8R1.1 NCC1=CC(O)=NO1 D86836 [1,1,0,0,0,0|2,0,0]=4 69 B8R1.1 NCC1=CC=C(Cl)O1 AT17313 [1,1,0,0,0,0|2,0,0]=4 70 B8R1.1 NCC1=CN=C(Br)S1 AT14675 [1,1,0,0,0,0|1,0,0]=3 71 B8R1.1 NCC1=CN=C(N)S1 W17785 [1,1,0,0,0,0|1,0,0]=3 72 B8R1.1 NCC1=COC(Cl)=N1 AT18560 [1,1,0,0,0,0|1,0,1]=4 73 B8R1.1 NCC1=NC(Br)=NN1 AT12178 [1,1,0,0,0,0|1,0,1]=4 74 B8R1.1 NCC1=NN=C(S)S1 AT18926 [1,1,0,0,0,0|2,0,0]=4 75 B8R1.1 O=CC1=CN=C(Br)N1 AC9540 [1,1,0,0,0,0|1,0,1]=4 76 B8R1.1 OCC1=CN=C(Br)N1 AT15349 [1,1,0,0,0,0|1,0,0]=3 77 B8R1.7 C[C@H](N)C1=CC=NS1 AT21225 [1,1,0,0,0,0|2,0,0]=4 78 B8R1.7 C[C@H](N)C1=CN=CN1 F13260 [1,1,0,0,0,0|0,0,0]=2 79 B8R1.7 C[C@H](N)C1=CN=CO1 AT18689 [1,1,0,0,0,0|1,0,0]=3 80 B8R1.7 C[C@H](N)C1=CN=CO1 AT18691 [1,1,0,0,0,0|1,0,0]=3 81 B8R1.7 C[C@H](N)C1=CNC=N1 C91192 [1,1,0,0,0,0|0,0,2]=4 82 B8R1.7 C[C@H](N)C1=CNC=N1 C91193 [1,1,0,0,0,0|0,0,2]=4 83 B8R1.7 C[C@H](N)C1=COC=C1 N16719 [1,1,0,0,0,0|2,0,0]=4 84 B8R1.7 C[C@H](N)C1=COC=N1 AT12536 [1,1,0,0,0,0|1,0,1]=4 85 B8R1.7 C[C@H](N)C1=CSC=C1 AT23262 [1,1,0,0,0,0|2,0,0]=4 86 B8R1.7 C[C@H](N)C1=CSC=C1 AT23264 [1,1,0,0,0,0|2,0,0]=4 87 B8R1.7 C[C@H](N)C1=CSN=C1 AT21218 [1,1,0,0,0,0|2,0,0]=4 88 B8R1.7 C[C@H](O)C1=CC=NS1 AT21152 [1,1,0,0,0,0|2,0,0]=4 89 B8R1.11 CCC1=CON=C1N AT19778 [1,1,0,0,0,0|2,0,0]=4 90 B8R1.11 CCN1C=CN=C1N AT26762 [1,1,0,0,0,0|2,0,0]=4 91 B8R1.11 CCN1N=CN=C1Cl A11405 [1,1,0,0,0,0|1,0,1]=4 92 B8R1.11 CN1N=NC=C1CO 92410 [1,1,0,0,0,0|2,0,0]=4 93 B8R1.11 CN1N=NN=C1CN D76802 [1,1,0,0,0,0|2,0,0]=4 94 B8R1.11 NCC1=C(Br)C=NS1 AT21091 [1,1,0,0,0,0|2,0,0]=4 95 B8R1.11 NCC1=C(Br)C=NS1 AT21097 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.1 NCCC1=CNC(=O)C=C1 FD7157 [0,1,0,0,0,1|1,0,0]=3 97 B10R1.1 NCCC1=CNC(=O)N=C1 AT18222 [0,1,0,0,0,1|0,0,0]=2 98 B10R1.4 OCCC1=C(Br)C=NC=C1 AT12936 [0,1,0,0,0,1|2,0,0]=4 99 B10R1.4 OCCC1=C(Br)C=NC=C1 D77127 [0,1,0,0,0,1|2,0,0]=4 100 B10R1.10 NC1=NC=CC(CCO)=C1 AT18203 [0,1,0,0,0,1|2,0,0]=4 101 B10R1.10 NCCC1=CC(=O)NC=C1 C73270 [0,1,0,0,0,1|1,0,1]=4 102 B10R1.15 NC[C@H](F)C1=CC=CC=C1 E72838 [0,1,0,0,0,1|2,0,0]=4 103 B10R1.15 N[C@@H](CO)C1=NC=CN=C1 AT24480 [0,1,0,0,0,1|1,0,1]=4 104 B10R1.15 N[C@@H](CO)C1=NC=CN=C1 AT24481 [0,1,0,0,0,1|1,0,1]=4 105 B10R1.17 ICCCC1=CN=CC=C1 E70092 [0,1,0,0,0,1|2,0,0]=4 106 B10R1.17 NCCCC1=CN=CN=C1 F52410 [0,1,0,0,0,1|0,0,1]=3 107 B10R1.96 CCC1=NN=C(CCN)O1 AC7401 [0,2,0,0,0,0|2,0,0]=4 108 B10R1.96 COC1=NOC(CCN)=C1 AT19589 [0,2,0,0,0,0|2,0,0]=4 109 B10R1.149 CN1C=CC=C1[C@@H](O)CN D86014 [0,2,0,0,0,0|1,0,0]=3 110 B8R1.18 N[C@H]1CC(=O)NC1=O AT18961 [0,0,1,1,0,0|2,0,0]=4 111 B8R1.18 N[C@H]1CC(=O)NC1=O AT18962 [0,0,1,1,0,0|2,0,0]=4 112 B8R1.18 N[C@H]1CC(=O)NC1=O AT18963 [0,0,1,1,0,0|2,0,0]=4 113 B10R2.6 C1=CC=C([C@@H]2CN2)C=C1 89380 [0,0,0,1,0,1|2,0,0]=4 114 B10R2.6 C1=CC=C([C@@H]2CN2)C=C1 89381 [0,0,0,1,0,1|2,0,0]=4 115 B10R2.7 C1=CC2=C(C=N1)CCO2 D75261 [0,0,0,1,0,1|2,0,0]=4 116 B10R2.7 C1=CC2=C(N=N1)NCC2 93646 [0,0,0,1,0,1|1,0,0]=3 117 B10R2.2 CC1=NC2=C(CNC2)N1 O10830 [0,1,0,1,0,0|2,0,0]=4 118 B10R2.2 N[C@H]1CC2=CC=NN2C1 AT24596 [0,1,0,1,0,0|2,0,0]=4 119 B10R2.2 N[C@H]1CC2=NC=CN2C1 AT24577 [0,1,0,1,0,0|2,0,0]=4 120 B10R2.2 N[C@H]1CC2=NC=CN2C1 AT24578 [0,1,0,1,0,0|2,0,0]=4 121 B10R2.2 N[C@H]1CC2=NC=CN2C1 AT24591 [0,1,0,1,0,0|2,0,0]=4 122 B10R2.14 BrC1=NC=C(C2CC2)O1 AT18458 [0,1,0,1,0,0|2,0,0]=4 123 B10R2.32 N[C@H]1CCC2=C1N=CO2 AT24637 [0,1,0,1,0,0|1,0,0]=3 124 B10R2.32 N[C@H]1CCC2=C1N=CS2 AT24603 [0,1,0,1,0,0|1,0,0]=3 125 B10R2.32 N[C@H]1CCC2=C1OC=N2 AT24609 [0,1,0,1,0,0|1,0,1]=4 126 B10R2.32 N[C@H]1CCC2=C1SC=N2 AT24606 [0,1,0,1,0,0|1,0,1]=4 127 B10R2.32 N[C@H]1CCN2C=CN=C12 AT24600 [0,1,0,1,0,0|2,0,0]=4 128 B10R2.32 N[C@H]1CCN2C=NC=C12 AT24598 [0,1,0,1,0,0|1,0,0]=3 129 B10R2.32 O=C1CCC2=C1N=CO2 AT24635 [0,1,0,1,0,0|2,0,0]=4 130 B10R2.32 O=C1CCC2=C1N=CS2 AT24601 [0,1,0,1,0,0|2,0,0]=4 131 B10R2.32 O[C@H]1CCC2=C1N=CO2 AT24636 [0,1,0,1,0,0|2,0,0]=4 132 B10R2.32 O[C@H]1CCC2=C1N=CS2 AT24602 [0,1,0,1,0,0|2,0,0]=4 133 B10R2.32 O[C@H]1CCC2=C1OC=N2 AT24608 [0,1,0,1,0,0|2,0,0]=4 134 B10R2.32 O[C@H]1CCC2=C1SC=N2 AT24605 [0,1,0,1,0,0|2,0,0]=4 135 B10R2.32 O[C@H]1CCN2C=NC=C12 AT24597 [0,1,0,1,0,0|1,0,0]=3 136 B10R2.5 N[C@H]1C[C@@H]1C2=CNC=N2 AT15512 [0,1,0,1,0,0|0,0,2]=4 137 B10R2.136 C1=CN(C2CNC2)C=N1 E10005 [0,1,0,1,0,0|2,0,0]=4 138 B10R2.136 C1=NNC(C2CNC2)=C1 F52402 [0,1,0,1,0,0|2,0,0]=4 139 B10R2.21 BrC1=C(C2CC2)OC=N1 AT18590 [0,1,0,1,0,0|2,0,0]=4 140 B10R2.21 BrC1=C(C2CC2)SC=N1 AT15018 [0,1,0,1,0,0|2,0,0]=4 141 B10R2.21 NC1=C(C2CC2)SC=N1 AT15014 [0,1,0,1,0,0|2,0,0]=4