0 B9R1.11 C=C[C@H](N)C1=CC=CO1 N16701 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.11 C=C[C@H](N)C1=CC=CO1 N16702 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.11 C=C[C@H](N)C1=CC=CO1 N16703 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.11 COC(=O)C1=NOC=C1 AT19828 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.11 COC(=O)C1=NSC=C1 AT21127 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.11 COC(=O)[C@@H]1C=CCN1 F10707 [0,0,0,0,0,0|1,0,2]=3 6 B9R1.11 C\C(=N/O)C1=CC=CS1 W18710 [0,0,0,0,0,0|3,1,0]=4 7 B9R1.11 NNC(=O)C1=CC=NN1 P10142 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.11 N[C@@H](CO)C1=CC=CO1 C78116 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.11 N\C(=N\O)C1=CC=NO1 F51701 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.11 O=C(CBr)C1=CN=CS1 D74482 [0,0,0,0,0,0|3,1,0]=4 11 B9R1.11 O=C(CBr)C1=CSC=N1 79583 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.11 O=C(CBr)C1=NC=CS1 AC5165 [0,0,0,0,0,0|3,1,0]=4 13 B9R1.11 O=C(CCl)C1=CC=NS1 AT21156 [0,0,0,0,0,0|3,1,0]=4 14 B9R1.11 O=C(CCl)C1=CN=CO1 AT18682 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.11 O=C(CCl)C1=NOC=C1 AT19853 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.11 O=C(CO)C1=CC=CS1 AC7083 [0,0,0,0,0,0|2,1,0]=3 17 B9R1.11 O=CC(=O)C1=CSC=C1 AT16766 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.7 C=C(C)C1=NC=CS1 T71747 [1,0,0,0,0,0|2,1,0]=4 19 B8R1.7 CC(=O)C1=CN=CO1 F19037 [1,0,0,0,0,0|1,0,0]=2 20 B8R1.7 CC(=O)C1=COC=N1 AT18593 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.7 CC(=O)C1=CSN=C1 AT21129 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.7 CC(=O)C1=NNC=N1 AT12117 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.7 C[C@H](N)C1=CC=CO1 74860 [1,0,0,0,0,0|1,0,1]=3 24 B8R1.7 C[C@H](N)C1=CC=CO1 F16901 [1,0,0,0,0,0|1,0,1]=3 25 B8R1.7 C[C@H](N)C1=CC=CO1 N12744 [1,0,0,0,0,0|1,0,1]=3 26 B8R1.7 C[C@H](O)C1=CC=CS1 71923 [1,0,0,0,0,0|0,1,2]=4 27 B8R1.7 C[C@H](O)C1=CC=CS1 AT16382 [1,0,0,0,0,0|0,1,2]=4 28 B8R1.7 C[C@H](O)C1=CC=CS1 AT16384 [1,0,0,0,0,0|0,1,2]=4 29 B8R1.7 N=C(N)C1=CC=CN1 F18689 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.7 NC(=O)C1=NOC=C1 AT19826 [1,0,0,0,0,0|3,0,0]=4 31 B8R1.7 NC(=S)C1=CC=CO1 F11945 [1,0,0,0,0,0|1,1,0]=3 32 B8R1.7 O=C(Cl)C1=COC=N1 D78648 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.7 O=C(O)[C@@H]1C=CCN1 F10849 [1,0,0,0,0,0|1,0,2]=4 34 B8R1.7 O=C([O-])C1=NC=CO1 AT18513 [1,0,0,0,0,0|1,0,1]=3 35 B8R1.7 O=[S@](O)C1=CC=CS1 AT16558 [1,0,0,0,0,0|1,1,0]=3 36 B8R1.8 COCC1=NC=CN1 P10070 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.11 CCCC(=O)C1=CC=CO1 N14287 [0,1,0,0,0,0|1,0,0]=2 38 B10R1.11 CCC[C@H](N)C1=CC=CO1 N16695 [0,1,0,0,0,0|2,0,1]=4 39 B10R1.11 CCC[C@H](N)C1=CC=CO1 N16696 [0,1,0,0,0,0|2,0,1]=4 40 B10R1.11 CCC[C@H](N)C1=CC=CO1 N16697 [0,1,0,0,0,0|2,0,1]=4 41 B10R1.11 CCOC(=O)C1=CN=NN1 29441 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.11 CCOC(=O)C1=NC=NS1 AC6985 [0,1,0,0,0,0|2,1,0]=4 43 B10R1.11 CCOC(=O)N1C=CCC1 C16232 [0,1,0,0,0,0|2,0,1]=4 44 B10R1.11 CCOC(=O)N1CC=CC1 C16247 [0,1,0,0,0,0|2,0,1]=4 45 B10R1.11 COCC(=O)C1=CC=CO1 AT17460 [0,1,0,0,0,0|0,0,0]=1 46 B10R1.11 N[C@@H](CCO)C1=CC=CO1 N13126 [0,1,0,0,0,0|2,0,1]=4 47 B10R1.11 N[C@@H](CCO)C1=CC=CO1 N16710 [0,1,0,0,0,0|2,0,1]=4 48 B10R1.11 N[C@@H](CCO)C1=CC=CO1 N16711 [0,1,0,0,0,0|2,0,1]=4 49 B10R1.11 O=C(CCCl)C1=CC=CS1 D76604 [0,1,0,0,0,0|1,1,0]=3 50 B10R1.14 CC1=CC=C(C(=O)CO)O1 AC5801 [0,1,0,0,0,0|2,0,0]=3 51 B10R1.14 CC1=CC=C(C(=O)CO)S1 AC3828 [0,1,0,0,0,0|2,1,0]=4 52 B10R1.14 CCC(=O)C1=CC=C(Br)O1 N14292 [0,1,0,0,0,0|1,0,0]=2 53 B10R1.14 CNC(=O)C1=CC=C(N)S1 92880 [0,1,0,0,0,0|1,1,0]=3 54 B10R1.14 COC(=O)C1=CC(N)=NO1 D78675 [0,1,0,0,0,0|1,0,0]=2 55 B10R1.14 COC(=O)C1=CC=C(F)S1 D87046 [0,1,0,0,0,0|0,1,0]=2 56 B10R1.14 COC(=O)C1=CN=C(S)S1 SC1359 [0,1,0,0,0,0|1,1,0]=3 57 B10R1.14 COC(=O)C1=CNC(=S)N1 S11050 [0,1,0,0,0,0|2,0,0]=3 58 B10R1.14 COC(=O)C1=CNC(C)=C1 AT21660 [0,1,0,0,0,0|2,0,0]=3 59 B10R1.14 COC(=O)C1=CNC(Cl)=C1 AC6843 [0,1,0,0,0,0|2,0,0]=3 60 B10R1.14 COC(=O)C1=COC(I)=N1 O11880 [0,1,0,0,0,0|2,0,0]=3 61 B10R1.14 COC(=O)C1=CSC(I)=C1 74713 [0,1,0,0,0,0|2,0,0]=3 62 B10R1.14 COC(=O)C1=NSC(N)=N1 AT11908 [0,1,0,0,0,0|3,0,0]=4 63 B10R1.14 COC(=O)C1C=CC(N)C1 AT12408 [0,1,0,0,0,0|1,0,2]=4 64 B10R1.14 COC(=O)C1C=CC(N)C1 AT26068 [0,1,0,0,0,0|1,0,2]=4 65 B10R1.14 COC(=O)[C@@H]1CNC(=O)O1 94948 [0,1,0,0,0,0|1,0,2]=4 66 B10R1.14 COC(=O)[C@H]1C=C[C@@H](N)C1 I11714 [0,1,0,0,0,0|1,0,2]=4 67 B10R1.14 COC(=O)[C@H]1C=C[C@@H](N)C1 I11808 [0,1,0,0,0,0|1,0,2]=4 68 B10R1.23 CC(=O)C(=O)C1=CC=CS1 H11148 [0,1,0,0,0,0|1,1,0]=3 69 B10R1.23 CC(C)[C@H](N)C1=CC=CO1 N16714 [0,1,0,0,0,0|2,0,1]=4 70 B10R1.23 CC(O)C(N)C1=CC=CO1 N16789 [0,1,0,0,0,0|2,0,1]=4 71 B10R1.23 C[C@@H](O)[C@H](N)C1=CC=CO1 N16786 [0,1,0,0,0,0|2,0,1]=4 72 B10R1.23 C[C@@H](O)[C@H](N)C1=CC=CO1 N16788 [0,1,0,0,0,0|2,0,1]=4 73 B10R1.23 C[C@H](O)[C@H](N)C1=CC=CO1 N16785 [0,1,0,0,0,0|2,0,1]=4 74 B10R1.23 C[C@H](O)[C@H](N)C1=CC=CO1 N16787 [0,1,0,0,0,0|2,0,1]=4 75 B10R1.149 COC(=O)C1=C(Br)N=CO1 D72101 [0,1,0,0,0,0|1,0,0]=2 76 B10R1.149 COC(=O)C1=C(Br)N=CS1 AT21323 [0,1,0,0,0,0|1,1,0]=3 77 B10R1.149 COC(=O)C1=C(C)C=NN1 D86990 [0,1,0,0,0,0|2,0,0]=3 78 B10R1.149 COC(=O)C1=C(Cl)N=CS1 C71076 [0,1,0,0,0,0|1,1,0]=3 79 B10R1.149 COC(=O)C1=C(F)C=CN1 91532 [0,1,0,0,0,0|1,0,0]=2 80 B10R1.149 COC(=O)C1=C(N)C=CN1 D86691 [0,1,0,0,0,0|1,0,0]=2 81 B10R1.149 COC(=O)C1=CNN=C1I C14509 [0,1,0,0,0,0|3,0,0]=4 82 B10R1.149 COC(=O)C1=CON=C1Br C77578 [0,1,0,0,0,0|3,0,0]=4 83 B10R1.149 COC(=O)C1=CSC=C1C 57777 [0,1,0,0,0,0|2,0,0]=3 84 B10R1.149 COC(=O)C1=NN=CN1C W17759 [0,1,0,0,0,0|3,0,0]=4 85 B10R1.149 COC(=O)C1=NSC=C1Br D80070 [0,1,0,0,0,0|2,0,0]=3 86 B10R1.149 COC(=O)C1=NSC=C1N AT21157 [0,1,0,0,0,0|2,0,0]=3 87 B8R0.3 C=CC[C@H](N)C(=O)OC 50495 [0,0,1,0,0,0|1,0,2]=4 88 B10R2.16 NC1(C2=CC=CO2)CC1 CS1803 [0,0,0,1,0,0|2,0,1]=4 89 B10R2.32 O=C1CCC2=CNC=C12 F12460 [0,0,0,1,0,0|3,0,0]=4 90 B10R2.32 O=C1CCN2C=NC=C12 C13949 [0,0,0,1,0,0|3,0,0]=4 91 B10R2.32 O=C1NCC2=C1SC=C2 84280 [0,0,0,1,0,0|1,1,0]=3 92 B10R2.32 O=C1NCC2=CC=CN12 F52206 [0,0,0,1,0,0|3,0,0]=4 93 B10R1.15 CCC(=O)C1=CC=NC=C1 N12310 [0,0,0,0,0,1|2,0,0]=3 94 B10R1.15 CCC(=O)C1=NC=CC=N1 D72036 [0,0,0,0,0,1|2,0,0]=3 95 B10R1.15 COC(=N)C1=CC=CC=C1 W12775 [0,0,0,0,0,1|2,0,0]=3 96 B10R1.15 COC(=N)C1=CC=NC=C1 D87808 [0,0,0,0,0,1|2,0,0]=3 97 B10R1.15 COC(=O)C1=CCCCO1 S11698 [0,0,0,0,0,1|0,0,2]=3 98 B10R1.15 COC(=O)N1C=CC=CC1 F21432 [0,0,0,0,0,1|2,0,0]=3 99 B10R1.15 NCC(=O)C1=CN=CC=C1 D87739 [0,0,0,0,0,1|3,0,0]=4 100 B10R1.15 NCC(=O)C1=CN=CC=C1 F13353 [0,0,0,0,0,1|3,0,0]=4 101 B10R1.15 O=C(CBr)C1=NC=CC=N1 F19759 [0,0,0,0,0,1|3,0,0]=4 102 B10R1.15 O=C(CBr)C1=NC=NC=C1 FD10496 [0,0,0,0,0,1|3,0,0]=4 103 B10R1.15 O=C(CO)C1=CC=NC=C1 AC5781 [0,0,0,0,0,1|3,0,0]=4 104 B10R1.15 O=C(CO)C1=CN=CC=C1 AC2803 [0,0,0,0,0,1|3,0,0]=4 105 B10R1.27 COC(=O)CC1=CC=CN1 AB10301 [0,0,0,0,0,1|1,0,0]=2 106 B10R1.27 COC(=O)CC1=NNC=C1 F14156 [0,0,0,0,0,1|2,0,0]=3 107 B10R1.27 COC(=O)CN1C=CN=N1 AC2719 [0,0,0,0,0,1|3,0,0]=4 108 B7R0.3 COC(=O)\C=C\C=O D90666 [1,0,1,0,0,0|0,0,1]=3 109 B7R0.3 COC(=O)\C=C\CO AT12483 [1,0,1,0,0,0|0,0,1]=3 110 B7R0.10 C=C(CC)C(=O)OC 82635 [1,0,1,0,0,0|0,0,2]=4 111 B7R0.10 COC(=O)\C(C)=C\Br 74621 [1,0,1,0,0,0|1,0,1]=4 112 B7R0.10 COC(=O)\C(C)=C\O 91385 [1,0,1,0,0,0|1,0,1]=4 113 B7R0.4 C=CCOCC(=O)O D77063 [1,0,1,0,0,0|0,0,2]=4 114 B7R1.1 CCC1=CN=CO1 C77473 [2,0,0,0,0,0|1,0,1]=4 115 B7R1.1 COC1=NSC=C1 AT11777 [2,0,0,0,0,0|2,0,0]=4 116 B7R1.1 OCC1=CC=CN1 AT16114 [2,0,0,0,0,0|1,0,1]=4 117 B9R0.8 C=CCCC(=O)C(=O)OC D76611 [0,1,1,0,0,0|0,0,2]=4 118 B9R0.23 C=C(CC(=O)O)C(=O)OC 20464 [0,1,1,0,0,0|2,0,0]=4 119 B9R1.19 O=S(=O)(Cl)C1=CC=CO1 H10563 [1,1,0,0,0,0|1,0,1]=4 120 B9R1.35 CC(=O)C1=CC(Br)=NO1 AT19699 [1,1,0,0,0,0|1,0,0]=3 121 B9R1.35 CC(=O)C1=CC=C(Br)N1 C90268 [1,1,0,0,0,0|1,0,0]=3 122 B9R1.35 CC(=O)C1=CC=C(Br)O1 O10305 [1,1,0,0,0,0|0,0,0]=2 123 B9R1.35 CC(=O)C1=CN(C)C=N1 AT21668 [1,1,0,0,0,0|2,0,0]=4 124 B9R1.35 CC(=O)C1=NC(C)=CN1 I10088 [1,1,0,0,0,0|2,0,0]=4 125 B9R1.35 CC(=O)N1C=CC(N)=C1 AC4901 [1,1,0,0,0,0|2,0,0]=4 126 B9R1.35 CC1=CC=C([C@H](C)N)O1 N12562 [1,1,0,0,0,0|1,0,1]=4 127 B9R1.35 CC1=CC=C([C@H](C)N)O1 Y12182 [1,1,0,0,0,0|1,0,1]=4 128 B9R1.35 CC1=NOC(C(=O)O)=N1 72017 [1,1,0,0,0,0|2,0,0]=4 129 B9R1.35 CC1=NOC(C(N)=O)=C1 C11163 [1,1,0,0,0,0|2,0,0]=4 130 B9R1.35 CC1=NSC(C(=O)O)=C1 AT21155 [1,1,0,0,0,0|1,1,0]=4 131 B9R1.35 C[C@H](Cl)C1=CC=C(Cl)O1 55261 [1,1,0,0,0,0|1,0,1]=4 132 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y12846 [1,1,0,0,0,0|1,0,1]=4 133 B9R1.35 C[C@H](O)C1=CC=C(Cl)O1 55260 [1,1,0,0,0,0|0,0,2]=4 134 B9R1.35 NC(=O)C1=CC(Br)=CS1 C76680 [1,1,0,0,0,0|1,1,0]=4 135 B9R1.35 NC(=O)C1=CC(O)=NO1 C72596 [1,1,0,0,0,0|2,0,0]=4 136 B9R1.35 NC1=CN=C(C(=O)O)S1 38504 [1,1,0,0,0,0|1,1,0]=4 137 B9R1.35 NC1=CN=C(C(=O)O)S1 70896 [1,1,0,0,0,0|1,1,0]=4 138 B9R1.35 NC1=CSC(C(=O)O)=C1 AC7156 [1,1,0,0,0,0|0,1,0]=3 139 B9R1.35 NC1=NN=C(C(=O)O)O1 D74010 [1,1,0,0,0,0|2,0,0]=4 140 B9R1.35 NC1=NOC(C(=O)O)=C1 D78674 [1,1,0,0,0,0|1,0,0]=3 141 B9R1.35 O=C(Cl)C1=CC=C(Cl)O1 AT17320 [1,1,0,0,0,0|1,0,0]=3 142 B9R1.35 O=C(O)C1=CC(O)=CS1 AT16393 [1,1,0,0,0,0|0,1,0]=3 143 B9R1.35 O=C(O)C1=CC=C(Br)N1 O11354 [1,1,0,0,0,0|1,0,0]=3 144 B9R1.35 O=C(O)C1=CC=C(Cl)N1 AT16176 [1,1,0,0,0,0|1,0,0]=3 145 B9R1.35 O=C(O)C1=CN=C(Cl)N1 AT15386 [1,1,0,0,0,0|2,0,0]=4 146 B9R1.35 O=C(O)C1=CN=C(I)O1 C91097 [1,1,0,0,0,0|1,0,0]=3 147 B9R1.35 O=C(O)C1=CSC(S)=N1 AT14870 [1,1,0,0,0,0|2,0,0]=4 148 B9R1.35 O=C(O)C1=NC(Br)=NO1 D78703 [1,1,0,0,0,0|2,0,0]=4 149 B9R1.35 O=C(O)C1=NC(Cl)=CS1 AT14689 [1,1,0,0,0,0|1,1,0]=4 150 B9R1.41 CC(=O)C1=C(Br)C=CO1 AT17466 [1,1,0,0,0,0|0,0,0]=2 151 B9R1.41 CC(=O)C1=C(O)C=CS1 AT16388 [1,1,0,0,0,0|0,1,0]=3 152 B9R1.41 CC1=C(C(=O)Cl)OC=N1 AT23456 [1,1,0,0,0,0|2,0,0]=4 153 B9R1.41 CC1=C(C(=O)O)SN=C1 AT21154 [1,1,0,0,0,0|1,1,0]=4 154 B9R1.41 CC1=CNC=C1C(=O)O 71038 [1,1,0,0,0,0|2,0,0]=4 155 B9R1.41 CC1=COC=C1C(=O)O 72440 [1,1,0,0,0,0|2,0,0]=4 156 B9R1.41 NC(=O)C1=C(F)C=CS1 92876 [1,1,0,0,0,0|1,1,0]=4 157 B9R1.41 NC(=O)C1=C(N)C=CO1 AC5297 [1,1,0,0,0,0|1,0,0]=3 158 B9R1.41 NC(=O)C1=C(O)C=CS1 75845 [1,1,0,0,0,0|1,1,0]=4 159 B9R1.41 NC1=C(C(=O)O)N=CN1 C90485 [1,1,0,0,0,0|2,0,0]=4 160 B9R1.41 NC1=CSN=C1C(=O)O AT21158 [1,1,0,0,0,0|2,0,0]=4 161 B9R1.41 O=C(O)C1=C(Br)OC=C1 AT17113 [1,1,0,0,0,0|2,0,0]=4 162 B9R1.41 O=C(O)C1=C(Cl)N=CS1 AT15210 [1,1,0,0,0,0|1,1,0]=4 163 B9R1.41 O=C(O)C1=CNC=C1Br AT16233 [1,1,0,0,0,0|2,0,0]=4 164 B9R1.41 O=C(O)C1=CSC=C1Cl AT14983 [1,1,0,0,0,0|2,0,0]=4 165 B9R1.41 O=C(O)C1=NSC=C1I AT21161 [1,1,0,0,0,0|2,0,0]=4 166 B9R1.13 C[C@H](O)CC1=CC=CO1 W11911 [1,1,0,0,0,0|1,0,1]=4 167 B11R1.16 CCOC(=N)C1=NC=CC=C1 F18164 [0,1,0,0,0,1|2,0,0]=4 168 B11R1.16 CCOC(=O)C1=CCCCO1 S11628 [0,1,0,0,0,1|0,0,2]=4 169 B11R1.22 CCC(=O)C1=CN=C(Br)C=C1 F50479 [0,1,0,0,0,1|2,0,0]=4 170 B11R1.22 CCC(=O)C1=CN=C(C)C=C1 N14278 [0,1,0,0,0,1|2,0,0]=4 171 B11R1.22 CCC(=O)C1=CN=C(F)C=C1 N14274 [0,1,0,0,0,1|2,0,0]=4 172 B11R1.22 CNC(=O)C1=NC=C(N)C=C1 AT26730 [0,1,0,0,0,1|2,0,0]=4 173 B11R1.22 COC(=N)C1=CC=C(Br)C=C1 AC7283 [0,1,0,0,0,1|2,0,0]=4 174 B11R1.22 COC(=O)C1=CN=C(C)N=C1 P11085 [0,1,0,0,0,1|2,0,0]=4 175 B11R1.22 CO[S@@](=O)C1=CC=C(C)C=C1 D92807 [0,1,0,0,0,1|2,0,0]=4 176 B11R1.23 CCC(=O)C1=CC(Br)=CN=C1 N14270 [0,1,0,0,0,1|2,0,0]=4 177 B11R1.23 CCC(=O)C1=CC(Cl)=NC=C1 N13049 [0,1,0,0,0,1|2,0,0]=4 178 B11R1.23 CCC(=O)C1=CC(N)=CC=C1 34175 [0,1,0,0,0,1|2,0,0]=4 179 B11R1.23 CNC(=O)C1=NC=CC(O)=C1 N13116 [0,1,0,0,0,1|2,0,0]=4 180 B11R1.23 COC(=O)C1=CC(I)=NN=C1 C92378 [0,1,0,0,0,1|2,0,0]=4 181 B11R1.23 COC(=O)C1=CC(N)=NC=C1 W17825 [0,1,0,0,0,1|1,0,0]=3 182 B11R1.23 COC(=O)C1=CC(S)=NC=C1 F18003 [0,1,0,0,0,1|1,0,0]=3 183 B11R1.23 COC(=O)C1=CC=CC(I)=N1 C16472 [0,1,0,0,0,1|1,0,0]=3 184 B11R1.23 COC(=O)C1=CN=CC(=O)N1 72441 [0,1,0,0,0,1|1,0,0]=3 185 B11R1.23 COC(=O)C1=NC=CC(O)=C1 AC3417 [0,1,0,0,0,1|1,0,0]=3 186 B11R1.36 CC(C)C(=O)C1=CC=NC=C1 N12821 [0,1,0,0,0,1|2,0,0]=4 187 B11R1.36 C[C@H](N)C(=O)C1=CC=CC=C1 F13376 [0,1,0,0,0,1|2,0,0]=4 188 B11R1.222 CCC(=O)C1=C(Br)C=CC=C1 72058 [0,1,0,0,0,1|2,0,0]=4 189 B11R1.222 CCC(=O)C1=C(Br)C=NC=C1 N14286 [0,1,0,0,0,1|2,0,0]=4 190 B11R1.222 CCC(=O)C1=C(Cl)C=CN=C1 N14267 [0,1,0,0,0,1|2,0,0]=4 191 B11R1.222 CCC(=O)C1=C(F)C=CC=N1 N14248 [0,1,0,0,0,1|2,0,0]=4 192 B11R1.222 CCC(=O)C1=C(F)C=NC=C1 N14283 [0,1,0,0,0,1|2,0,0]=4 193 B11R1.222 CCC(=O)C1=CC=CN=C1Br N14264 [0,1,0,0,0,1|2,0,0]=4 194 B11R1.222 CCC(=O)C1=CC=CN=C1Cl N14262 [0,1,0,0,0,1|2,0,0]=4 195 B11R1.222 CCC(=O)C1=CC=CN=C1F N14261 [0,1,0,0,0,1|2,0,0]=4 196 B11R1.222 CCC(=O)C1=NC=CC=C1C N12289 [0,1,0,0,0,1|2,0,0]=4 197 B11R1.222 CNC(=O)C1=C(I)C=CC=C1 E72599 [0,1,0,0,0,1|2,0,0]=4 198 B11R1.222 CNC(=O)C1=NC=CC=C1O C71661 [0,1,0,0,0,1|2,0,0]=4 199 B11R1.222 COC(=N)C1=C(Br)C=CC=C1 AC5256 [0,1,0,0,0,1|2,0,0]=4 200 B11R1.222 COC(=O)C1=C(C)C=NC=C1 CS1425 [0,1,0,0,0,1|1,0,0]=3 201 B11R1.222 COC(=O)C1=C(Cl)C=NC=N1 67177 [0,1,0,0,0,1|1,0,0]=3 202 B11R1.222 COC(=O)C1=CN=CN=C1Cl 31492 [0,1,0,0,0,1|2,0,0]=4 203 B11R1.222 COC(=O)C1=NC=NC=C1C F53212 [0,1,0,0,0,1|1,0,0]=3 204 B11R1.30 CCOC(=O)CC1=CC=CN1 P11574 [0,1,0,0,0,1|1,0,0]=3 205 B11R1.30 CCOC(=O)CC1=NC=CN1 F17295 [0,1,0,0,0,1|2,0,0]=4 206 B11R1.30 CCOC(=O)NC1=CC=CS1 AC2824 [0,1,0,0,0,1|0,1,0]=3 207 B11R1.39 COC(=O)CC1=CC=C(C)S1 94300 [0,1,0,0,0,1|0,1,0]=3 208 B11R1.39 COC(=O)CC1=NC=C(Cl)S1 P13018 [0,1,0,0,0,1|1,1,0]=4 209 B11R1.39 COC(=O)CN1C=C(N)C=N1 C76567 [0,1,0,0,0,1|2,0,0]=4 210 B11R1.39 COC(=O)CN1C=C(N)C=N1 CS1656 [0,1,0,0,0,1|2,0,0]=4 211 B11R1.39 COC(=O)CN1C=C(O)C=N1 AT11889 [0,1,0,0,0,1|2,0,0]=4 212 B11R1.15 CCCC(=O)C1=CC=C(Cl)S1 L10051 [0,2,0,0,0,0|1,1,0]=4 213 B11R1.15 CCOC(=O)C1=CC(C)=NO1 26405 [0,2,0,0,0,0|1,0,0]=3 214 B11R1.15 CCOC(=O)C1=CC(Cl)=CN1 68050 [0,2,0,0,0,0|1,0,0]=3 215 B11R1.15 CCOC(=O)C1=CC(I)=CN1 86090 [0,2,0,0,0,0|1,0,0]=3 216 B11R1.15 CCOC(=O)C1=CN=C(C)O1 F14065 [0,2,0,0,0,0|1,0,0]=3 217 B11R1.15 CCOC(=O)C1=COC(I)=N1 O11756 [0,2,0,0,0,0|2,0,0]=4 218 B11R1.15 CCOC(=O)C1=CSC(=S)N1 W17120 [0,2,0,0,0,0|2,0,0]=4 219 B11R1.15 CCOC(=O)C1=NC(N)=CN1 AT15617 [0,2,0,0,0,0|2,0,0]=4 220 B11R1.15 CCOC(=O)C1=NN=C(S)O1 AT18801 [0,2,0,0,0,0|2,0,0]=4 221 B11R1.15 CCOC(=O)C1=NOC(Cl)=C1 AT22370 [0,2,0,0,0,0|2,0,0]=4 222 B11R1.15 CCOC(=O)C1=NSC(Br)=C1 AT25966 [0,2,0,0,0,0|2,0,0]=4 223 B11R1.29 CCCCC(=O)C1=CC=CO1 N14288 [0,2,0,0,0,0|1,0,0]=3 224 B11R1.29 NCCNC(=O)C1=CC=CO1 F21147 [0,2,0,0,0,0|1,0,0]=3 225 B11R1.29 NCCNC(=O)C1=CC=CS1 F21146 [0,2,0,0,0,0|1,1,0]=4 226 B11R1.77 CC(=O)OC(C)=C1C=CC=C1 W17975 [0,2,0,0,0,0|2,0,0]=4 227 B11R1.199 CCOC(=O)C1=C(C)C=NO1 A51018 [0,2,0,0,0,0|1,0,0]=3 228 B11R1.199 CCOC(=O)C1=C(Cl)N=CO1 S11634 [0,2,0,0,0,0|1,0,0]=3 229 B11R1.199 CCOC(=O)C1=C(N)C=CS1 50682 [0,2,0,0,0,0|0,1,0]=3 230 B11R1.199 CCOC(=O)C1=C(N)C=NN1 82617 [0,2,0,0,0,0|2,0,0]=4 231 B11R1.199 CCOC(=O)C1=C(N)SC=N1 F17245 [0,2,0,0,0,0|2,0,0]=4 232 B11R1.199 CCOC(=O)C1=CSC=C1C 72423 [0,2,0,0,0,0|2,0,0]=4 233 B11R1.44 CCN1C=CC(C(=O)OC)=N1 78770 [0,2,0,0,0,0|2,0,0]=4 234 B11R1.44 COC(=O)C1=CC(C#N)=CN1 94935 [0,2,0,0,0,0|1,0,0]=3 235 B11R1.44 COC(=O)C1=CC(CBr)=CS1 C15971 [0,2,0,0,0,0|0,1,0]=3 236 B11R1.44 COC(=O)C1=CC=C(CBr)S1 94428 [0,2,0,0,0,0|0,1,0]=3 237 B11R1.44 COC(=O)C1=CC=C(CN)S1 C90538 [0,2,0,0,0,0|0,1,0]=3 238 B11R1.44 COC(=O)C1=CC=C(CO)N1 D76272 [0,2,0,0,0,0|1,0,0]=3 239 B11R1.44 COC(=O)C1=CC=C(CO)O1 AT17170 [0,2,0,0,0,0|0,0,0]=2 240 B11R1.44 COC(=O)C1=CNC(C=O)=C1 D85282 [0,2,0,0,0,0|2,0,0]=4 241 B11R1.44 COC(=O)C1=COC(C=O)=C1 AT20020 [0,2,0,0,0,0|2,0,0]=4 242 B11R1.44 COC(=O)C1=COC(CBr)=N1 D77664 [0,2,0,0,0,0|2,0,0]=4 243 B11R1.44 COC(=O)C1=COC(CCl)=C1 AT17456 [0,2,0,0,0,0|2,0,0]=4 244 B11R1.44 COC(=O)C1=NOC(CBr)=C1 C16808 [0,2,0,0,0,0|2,0,0]=4 245 B11R1.44 COC(=O)C1=NOC(CN)=C1 AT24046 [0,2,0,0,0,0|2,0,0]=4 246 B11R1.225 COC(=O)C1=C(Br)N=C(Br)S1 F17825 [0,2,0,0,0,0|1,1,0]=4 247 B11R1.225 COC(=O)C1=C(C)OC(C)=N1 84741 [0,2,0,0,0,0|2,0,0]=4 248 B11R1.225 COC(=O)C1=C(C)SC(Cl)=N1 F12363 [0,2,0,0,0,0|2,0,0]=4 249 B11R1.225 COC(=O)C1=CC(Br)=CN1N AT10794 [0,2,0,0,0,0|1,0,0]=3 250 B11R1.225 COC(=O)C1=NN(C)C=C1C AT24707 [0,2,0,0,0,0|2,0,0]=4 251 B11R1.226 COC(=O)C1=CC(Br)=C(Br)S1 I10064 [0,2,0,0,0,0|0,1,0]=3 252 B11R1.226 COC(=O)C1=CC(Br)=C(Cl)N1 AC8289 [0,2,0,0,0,0|1,0,0]=3 253 B11R1.226 COC(=O)C1=CC(C)=C(C)N1 F30543 [0,2,0,0,0,0|1,0,0]=3 254 B11R1.226 COC(=O)C1=CC(Cl)=C(Cl)N1 72393 [0,2,0,0,0,0|1,0,0]=3 255 B11R1.226 COC(=O)C1=CC(N)=C(C)S1 S11695 [0,2,0,0,0,0|0,1,0]=3 256 B11R1.226 COC(=O)C1=CC(N)=C(Cl)S1 24651 [0,2,0,0,0,0|0,1,0]=3 257 B11R1.226 COC(=O)C1=CC(N)=C(N)S1 FD10494 [0,2,0,0,0,0|0,1,0]=3 258 B11R1.226 COC(=O)C1=CN(C)C(Br)=C1 C91431 [0,2,0,0,0,0|2,0,0]=4 259 B11R1.226 COC(=O)C1=CN(C)C(Br)=N1 F53689 [0,2,0,0,0,0|2,0,0]=4 260 B11R1.226 COC(=O)C1=NC(C)=C(Br)S1 AT10265 [0,2,0,0,0,0|1,1,0]=4 261 B11R1.865 COC(=O)C1=C(C)C(Br)=CN1 O11932 [0,2,0,0,0,0|1,0,0]=3 262 B11R1.865 COC(=O)C1=C(C)C(C)=CN1 O11895 [0,2,0,0,0,0|1,0,0]=3 263 B11R1.865 COC(=O)C1=CC=C(N)N1C F18362 [0,2,0,0,0,0|1,0,0]=3 264 B11R1.865 COC(=O)C1=CN=C(Br)N1C 91201 [0,2,0,0,0,0|2,0,0]=4 265 B11R1.865 COC(=O)C1=CN=C(N)N1C 63556 [0,2,0,0,0,0|2,0,0]=4 266 B11R1.865 COC(=O)C1=NOC(C)=C1I AT24844 [0,2,0,0,0,0|2,0,0]=4 267 B11R1.357 CC(C)(C)C(=O)C1=CC=CO1 N10634 [0,2,0,0,0,0|1,0,0]=3 268 B11R1.357 O=C(C1=CC=CO1)C(F)(F)F F12163 [0,2,0,0,0,0|2,0,0]=4 269 B11R1.59 CCC1=C(C(=O)OC)C=CN1 F17904 [0,2,0,0,0,0|2,0,0]=4 270 B11R1.59 CCC1=C(C(=O)OC)SC=N1 87848 [0,2,0,0,0,0|1,1,0]=4 271 B11R1.59 CCN1C=NC=C1C(=O)OC F51540 [0,2,0,0,0,0|2,0,0]=4 272 B11R1.59 COC(=O)C1=C(C=O)C=NS1 AT21209 [0,2,0,0,0,0|1,1,0]=4 273 B11R1.59 COC(=O)C1=C(C=O)N=CS1 AT15261 [0,2,0,0,0,0|1,1,0]=4 274 B11R1.59 COC(=O)C1=C(C=O)OC=C1 91173 [0,2,0,0,0,0|2,0,0]=4 275 B11R1.59 COC(=O)C1=C(CCl)OC=C1 AT17457 [0,2,0,0,0,0|2,0,0]=4 276 B11R1.59 COC(=O)C1=C(CN)OC=N1 AT18694 [0,2,0,0,0,0|2,0,0]=4 277 B11R1.59 COC(=O)C1=CSC=C1C=O F53461 [0,2,0,0,0,0|2,0,0]=4 278 B11R1.875 COC(=O)C1=C(Cl)C=CN1C 91529 [0,2,0,0,0,0|1,0,0]=3 279 B11R1.875 COC(=O)C1=C(F)C=CN1C 91533 [0,2,0,0,0,0|1,0,0]=3 280 B11R1.875 COC(=O)C1=C(N)C=NN1C F14192 [0,2,0,0,0,0|2,0,0]=4 281 B9R1.2 COC1=CC(O)=NC=C1 F17762 [0,0,1,1,0,0|2,0,0]=4 282 B9R1.21 COC1=CC=C(C=O)O1 AT17092 [0,0,1,1,0,0|0,0,2]=4 283 B9R1.21 COC1=CC=C(C=O)S1 F53534 [0,0,1,1,0,0|0,1,1]=4 284 B9R2.3 C1=CC2=C(CNC2)O1 91178 [1,0,0,1,0,0|1,0,1]=4 285 B11R2.1 O=C1NCC2=CN=CN=C12 F52126 [0,0,0,1,0,1|2,0,0]=4 286 B11R2.106 O=C1CCCC2=C1NC=C2 F30748 [0,1,0,1,0,0|2,0,0]=4 287 B11R2.106 O=C1COCC2=C1C=CN2 P13063 [0,1,0,1,0,0|2,0,0]=4 288 B11R2.202 O=C1OC(=O)C2=C1C=CS2 T72683 [0,1,0,1,0,0|0,1,1]=4 289 B11R2.1031 O=C(C1=CC=CO1)C2CC2 D85654 [0,1,0,1,0,0|1,0,0]=3 290 B9R1.6 NC(=O)C1=NC=CC=N1 C11052 [1,0,0,0,0,1|2,0,0]=4 291 B9R1.6 O=C(Cl)C1=CC=NC=C1 D78267 [1,0,0,0,0,1|2,0,0]=4 292 B9R1.6 O=C(O)C1=CCCOC1 SC1721 [1,0,0,0,0,1|0,0,2]=4 293 B9R1.6 O=C([O-])C1=NC=CC=C1 T71798 [1,0,0,0,0,1|1,0,1]=4 294 B9R1.6 O=[13C](O)C1=CC=CC=C1 F13987 [1,0,0,0,0,1|1,0,0]=3 295 B11R1.40 COC(=O)CC1=CN=CN=C1 AT13806 [0,0,0,0,0,2|2,0,0]=4 296 B11R1.25 COC(=O)CCC1=CC=CS1 C91137 [0,0,0,0,0,2|0,1,0]=3 297 B11R1.25 NCC(=O)NCC1=CC=CO1 F21191 [0,0,0,0,0,2|2,0,0]=4