0 B10R1.15 C#C[C@@H](O)C1=CN=CC=C1 AC5787 [0,0,0,0,0,0|1,0,3]=4 1 B10R1.15 C=C(CO)C1=CC=CC=C1 A11577 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.15 CCC(=O)C1=CC=NC=C1 N12310 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.15 CCC(=O)C1=NC=CC=N1 D72036 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.15 CC[C@H](N)C1=CC=CC=C1 N12648 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P11367 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P15053 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 L10186 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.15 COC(=N)C1=CC=CC=C1 W12775 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.15 COC(=N)C1=CC=NC=C1 D87808 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.15 COC(=O)C1=CCCCO1 S11698 [0,0,0,0,0,0|2,0,2]=4 11 B10R1.15 COC(=O)N1C=CC=CC1 F21432 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14528 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14530 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.15 NCC(=O)C1=CN=CC=C1 D87739 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.15 NCC(=O)C1=CN=CC=C1 F13353 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.15 NC[C@H](O)C1=CN=CC=C1 33361 [0,0,0,0,0,0|2,0,2]=4 17 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 Y12120 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.15 N\C(=N/O)C1=CC=CC=C1 L10027 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.15 O=C(CO)C1=CC=NC=C1 AC5781 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.15 O=C(CO)C1=CN=CC=C1 AC2803 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.15 O[C@@H](CCl)C1=CN=CC=C1 Y10944 [0,0,0,0,0,0|2,0,2]=4 22 B9R1.6 C[C@H](Br)C1=NC=CN=C1 C77147 [1,0,0,0,0,0|2,0,1]=4 23 B9R1.6 C[C@H](N)C1=CC=CN=C1 S11132 [1,0,0,0,0,0|1,0,1]=3 24 B9R1.6 C[C@H](N)C1=CN=CN=C1 P14618 [1,0,0,0,0,0|2,0,1]=4 25 B9R1.6 C[C@H](N)C1=NC=CN=C1 C93141 [1,0,0,0,0,0|2,0,1]=4 26 B9R1.6 C[C@H](N)C1=NC=CN=C1 C93144 [1,0,0,0,0,0|2,0,1]=4 27 B9R1.6 N=C(N)C1=CC=CN=N1 F30256 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.6 O=C(Cl)C1=CC=NC=C1 D78267 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.6 O=C([O-])C1=NC=CC=C1 T71798 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.6 O=C([O-])C1=NN=CC=N1 D72030 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.6 O=[13C](O)C1=CC=CC=C1 F13987 [1,0,0,0,0,0|1,0,0]=2 32 B9R1.6 O=[N+]([O-])C1=CN=CN=C1 C14718 [1,0,0,0,0,0|2,0,1]=4 33 B9R1.6 [2H]C(=C)C1=CC=CC=C1 D97969 [1,0,0,0,0,0|2,0,1]=4 34 B9R1.8 BrC#CC1=CN=CC=C1 50128 [1,0,0,0,0,0|2,0,1]=4 35 B9R1.8 BrCCC1=CN=CC=C1 C77647 [1,0,0,0,0,0|2,0,1]=4 36 B9R1.8 CCCC1=CC=CN=C1 O11051 [1,0,0,0,0,0|1,0,1]=3 37 B9R1.8 CCNC1=NC=CN=C1 C76036 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.8 CNCC1=CN=CN=C1 38577 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.8 CNNC1=CC=CC=C1 C77159 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.8 [C-]#[N+]CC1=CN=CC=C1 F16136 [1,0,0,0,0,0|1,0,2]=4 41 B11R1.16 CCOC(=N)C1=NC=CC=C1 F18164 [0,1,0,0,0,0|3,0,0]=4 42 B11R1.16 COC[C@H](N)C1=CC=CC=C1 AC6537 [0,1,0,0,0,0|2,0,1]=4 43 B11R1.16 [N-]=[N+]=CC(=O)C1=CC=CC=C1 AT25592 [0,1,0,0,0,0|3,0,0]=4 44 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 C75563 [0,1,0,0,0,0|3,0,0]=4 45 B11R1.22 CC1=CC=C(C(=O)CO)C=C1 AC6089 [0,1,0,0,0,0|3,0,0]=4 46 B11R1.22 CCC(=O)C1=CN=C(Br)C=C1 F50479 [0,1,0,0,0,0|1,0,0]=2 47 B11R1.22 CCC(=O)C1=CN=C(C)C=C1 N14278 [0,1,0,0,0,0|1,0,0]=2 48 B11R1.22 CCC(=O)C1=CN=C(F)C=C1 N14274 [0,1,0,0,0,0|1,0,0]=2 49 B11R1.22 CNC(=O)C1=CN=C(Cl)N=C1 C72448 [0,1,0,0,0,0|2,0,0]=3 50 B11R1.22 CNC(=O)C1=NC=C(N)C=C1 AT26730 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.22 COC(=N)C1=CC=C(Br)C=C1 AC7283 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.22 COC(=O)C1=CN=C(C)N=C1 P11085 [0,1,0,0,0,0|1,0,0]=2 53 B11R1.22 CO[C@@H](C)C1=CC=C(Br)C=C1 N11516 [0,1,0,0,0,0|2,0,1]=4 54 B11R1.22 CO[S@@](=O)C1=CC=C(C)C=C1 D92807 [0,1,0,0,0,0|2,0,0]=3 55 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 24831 [0,1,0,0,0,0|3,0,0]=4 56 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 F14651 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.22 O=C(CF)C1=CC=C(Br)C=C1 W17424 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.22 O=C(CO)C1=CC=C(O)C=C1 D87702 [0,1,0,0,0,0|3,0,0]=4 59 B11R1.22 O=C([13CH2]Br)C1=CC=C(Br)C=C1 D97990 [0,1,0,0,0,0|3,0,0]=4 60 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 O10480 [0,1,0,0,0,0|3,0,0]=4 61 B11R1.23 CC1=CC=CC(C(=O)CO)=C1 AC3231 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.23 CCC(=O)C1=CC(Br)=CN=C1 N14270 [0,1,0,0,0,0|1,0,0]=2 63 B11R1.23 CCC(=O)C1=CC(Cl)=NC=C1 N13049 [0,1,0,0,0,0|3,0,0]=4 64 B11R1.23 CCC(=O)C1=CC(N)=CC=C1 34175 [0,1,0,0,0,0|2,0,0]=3 65 B11R1.23 CNC(=O)C1=NC=CC(O)=C1 N13116 [0,1,0,0,0,0|3,0,0]=4 66 B11R1.23 COC(=O)C1=CC(I)=NN=C1 C92378 [0,1,0,0,0,0|1,0,0]=2 67 B11R1.23 COC(=O)C1=CC(N)=NC=C1 W17825 [0,1,0,0,0,0|2,0,0]=3 68 B11R1.23 COC(=O)C1=CC(S)=NC=C1 F18003 [0,1,0,0,0,0|2,0,0]=3 69 B11R1.23 COC(=O)C1=CC=CC(I)=N1 C16472 [0,1,0,0,0,0|2,0,0]=3 70 B11R1.23 COC(=O)C1=CN=CC(=O)N1 72441 [0,1,0,0,0,0|1,0,0]=2 71 B11R1.23 COC(=O)C1=NC=CC(O)=C1 AC3417 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.23 NCC(=O)C1=CC(O)=CC=C1 C77908 [0,1,0,0,0,0|3,0,0]=4 73 B11R1.23 O=C(CO)C1=CC=CC(Br)=C1 AC6088 [0,1,0,0,0,0|3,0,0]=4 74 B11R1.23 O=C(CO)C1=CC=CC(F)=C1 AC5675 [0,1,0,0,0,0|3,0,0]=4 75 B11R1.23 O=CC(=O)C1=CC=CC(Cl)=C1 AB10250 [0,1,0,0,0,0|3,0,0]=4 76 B11R1.36 C=C(C1=CC=CC=C1)C(C)C W11468 [0,1,0,0,0,0|3,0,0]=4 77 B11R1.36 CC(C)C(=O)C1=CC=NC=C1 N12821 [0,1,0,0,0,0|3,0,0]=4 78 B11R1.36 CC(C)[C@H](N)C1=CC=CN=C1 74043 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.36 CC(C)[C@H](O)C1=CN=CC=C1 AC2743 [0,1,0,0,0,0|1,0,2]=4 80 B11R1.36 C[C@H](N)C(=O)C1=CC=CC=C1 F13376 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.222 CC1=C(C(=O)CO)C=CC=C1 AC4310 [0,1,0,0,0,0|3,0,0]=4 82 B11R1.222 CCC(=O)C1=C(Br)C=CC=C1 72058 [0,1,0,0,0,0|2,0,0]=3 83 B11R1.222 CCC(=O)C1=C(Br)C=NC=C1 N14286 [0,1,0,0,0,0|3,0,0]=4 84 B11R1.222 CCC(=O)C1=C(Cl)C=CN=C1 N14267 [0,1,0,0,0,0|1,0,0]=2 85 B11R1.222 CCC(=O)C1=C(F)C=CC=N1 N14248 [0,1,0,0,0,0|3,0,0]=4 86 B11R1.222 CCC(=O)C1=C(F)C=NC=C1 N14283 [0,1,0,0,0,0|3,0,0]=4 87 B11R1.222 CCC(=O)C1=CC=CN=C1Br N14264 [0,1,0,0,0,0|1,0,0]=2 88 B11R1.222 CCC(=O)C1=CC=CN=C1Cl N14262 [0,1,0,0,0,0|1,0,0]=2 89 B11R1.222 CCC(=O)C1=CC=CN=C1F N14261 [0,1,0,0,0,0|1,0,0]=2 90 B11R1.222 CCC(=O)C1=NC=CC=C1C N12289 [0,1,0,0,0,0|3,0,0]=4 91 B11R1.222 CNC(=O)C1=C(I)C=CC=C1 E72599 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.222 CNC(=O)C1=NC=CC=C1O C71661 [0,1,0,0,0,0|3,0,0]=4 93 B11R1.222 COC(=N)C1=C(Br)C=CC=C1 AC5256 [0,1,0,0,0,0|2,0,0]=3 94 B11R1.222 COC(=O)C1=C(C)C=NC=C1 CS1425 [0,1,0,0,0,0|2,0,0]=3 95 B11R1.222 COC(=O)C1=C(Cl)C=NC=N1 67177 [0,1,0,0,0,0|3,0,0]=4 96 B11R1.222 COC(=O)C1=CN=CN=C1Cl 31492 [0,1,0,0,0,0|1,0,0]=2 97 B11R1.222 COC(=O)C1=NC=NC=C1C F53212 [0,1,0,0,0,0|3,0,0]=4 98 B11R1.222 NC1=C(C(=O)CCl)C=CC=C1 72272 [0,1,0,0,0,0|3,0,0]=4 99 B11R1.222 NCC(=O)C1=C(Br)C=CC=C1 W17616 [0,1,0,0,0,0|3,0,0]=4 100 B11R1.222 O=C(CCl)C1=C(Cl)C=CC=C1 D71120 [0,1,0,0,0,0|3,0,0]=4 101 B11R1.222 O=C(CF)C1=CC=CN=C1F AT10155 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.222 O=C(CO)C1=C(Br)C=CC=C1 AC7495 [0,1,0,0,0,0|3,0,0]=4 103 B11R1.222 O=C(CO)C1=C(F)C=CC=C1 AC5617 [0,1,0,0,0,0|3,0,0]=4 104 B11R1.222 O=C(CO)C1=C(I)C=CC=C1 AC7053 [0,1,0,0,0,0|3,0,0]=4 105 B9R0.8 C=CCCC(=O)C(=O)OC D76611 [0,0,1,0,0,0|2,0,1]=4 106 B11R2.1 BrC1=CCC2=C1C=CC=C2 D78625 [0,0,0,1,0,0|3,0,0]=4 107 B11R2.1 CC1=C2C=CC=CC2=NO1 AC6101 [0,0,0,1,0,0|3,0,0]=4 108 B11R2.1 ClC1=CNC2=C1C=NC=C2 I11117 [0,0,0,1,0,0|3,0,0]=4 109 B11R2.1 ClC1=NSC2=C1C=CC=N2 F30332 [0,0,0,1,0,0|3,0,0]=4 110 B11R2.1 NC1=CNC2=NC=CC=C12 C15185 [0,0,0,1,0,0|3,0,0]=4 111 B11R2.1 NC1=COC2=NC=CC=C12 N13337 [0,0,0,1,0,0|3,0,0]=4 112 B11R2.1 N[C@H]1CCC2=NC=CC=C21 D79496 [0,0,0,1,0,0|2,0,1]=4 113 B11R2.1 O=C1COC2=C1C=CC=N2 O11821 [0,0,0,1,0,0|2,0,0]=3 114 B11R2.1 OC1=C2C=CC=NC2=CN1 F18499 [0,0,0,1,0,0|1,0,2]=4 115 B11R2.1 OC1=NSC2=NC=CC=C12 F30331 [0,0,0,1,0,0|2,0,1]=4 116 B9R1.11 COC(=O)C1=NOC=C1 AT19828 [0,0,0,0,1,0|1,0,0]=2 117 B9R1.11 COC(=O)C1=NSC=C1 AT21127 [0,0,0,0,1,0|1,0,0]=2 118 B9R1.11 COC(=O)[C@@H]1C=CCN1 F10707 [0,0,0,0,1,0|0,0,3]=4 119 B9R1.11 NNC(=O)C1=CC=NN1 P10142 [0,0,0,0,1,0|3,0,0]=4 120 B9R1.11 O=C(CBr)C1=CN=CS1 D74482 [0,0,0,0,1,0|3,0,0]=4 121 B9R1.11 O=C(CBr)C1=CSC=N1 79583 [0,0,0,0,1,0|3,0,0]=4 122 B9R1.11 O=C(CBr)C1=NC=CS1 AC5165 [0,0,0,0,1,0|3,0,0]=4 123 B9R1.11 O=C(CCl)C1=CC=NS1 AT21156 [0,0,0,0,1,0|3,0,0]=4 124 B9R1.11 O=C(CCl)C1=CN=CO1 AT18682 [0,0,0,0,1,0|3,0,0]=4 125 B9R1.11 O=C(CCl)C1=CSN=C1 AT21136 [0,0,0,0,1,0|3,0,0]=4 126 B9R1.11 O=C(CCl)C1=NOC=C1 AT19853 [0,0,0,0,1,0|3,0,0]=4 127 B9R1.11 O=C(CO)C1=CC=CS1 AC7083 [0,0,0,0,1,0|3,0,0]=4 128 B9R1.11 O=CC(=O)C1=CSC=C1 AT16766 [0,0,0,0,1,0|3,0,0]=4 129 B11R1.40 CNC(=S)NC1=CC=CC=C1 T72207 [0,0,0,0,0,1|2,1,0]=4 130 B11R1.40 COC(=O)CC1=CN=CN=C1 AT13806 [0,0,0,0,0,1|1,0,0]=2 131 B11R1.40 N#CC(=O)CC1=CC=CC=C1 AC5929 [0,0,0,0,0,1|3,0,0]=4 132 B11R1.40 O=C(CCl)NC1=CN=CC=C1 C78463 [0,0,0,0,0,1|2,0,0]=3 133 B8R1.2 C=CC1=CC=CN=C1 71366 [2,0,0,0,0,0|0,0,1]=3 134 B8R1.2 C=CC1=NC=CN=C1 T72447 [2,0,0,0,0,0|1,0,1]=4 135 B8R1.2 CNC1=CC=CN=N1 79165 [2,0,0,0,0,0|2,0,0]=4 136 B8R1.2 [2H]OC1=CC=CC=C1 D99313 [2,0,0,0,0,0|2,0,0]=4 137 B10R1.13 CC(=O)C1=CN=C(C)N=C1 32219 [1,1,0,0,0,0|1,0,0]=3 138 B10R1.13 CC(=O)C1=NN=C(C)C=C1 P12332 [1,1,0,0,0,0|1,0,0]=3 139 B10R1.13 CC1=NC=C(C(=O)Cl)C=C1 C90488 [1,1,0,0,0,0|1,0,0]=3 140 B10R1.13 CC1=NC=C(C(N)=O)C=N1 81927 [1,1,0,0,0,0|2,0,0]=4 141 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 56564 [1,1,0,0,0,0|1,0,1]=4 142 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 56569 [1,1,0,0,0,0|1,0,1]=4 143 B10R1.13 C[C@H](N)C1=CN=C(Br)C=C1 N11221 [1,1,0,0,0,0|1,0,1]=4 144 B10R1.13 C[C@H](O)C1=CN=C(F)C=C1 AT10687 [1,1,0,0,0,0|0,0,2]=4 145 B10R1.13 NC(=O)C1=CN=C(Br)C=N1 N13142 [1,1,0,0,0,0|2,0,0]=4 146 B10R1.13 NC(=O)C1=CN=C(N)N=C1 81842 [1,1,0,0,0,0|2,0,0]=4 147 B10R1.13 NC(=O)C1=NN=C(Br)C=C1 D76262 [1,1,0,0,0,0|2,0,0]=4 148 B10R1.13 O=C(Cl)C1=CN=C(Cl)N=C1 C14171 [1,1,0,0,0,0|2,0,0]=4 149 B10R1.13 O=C(O)C1=CN=C(S)N=C1 AT18396 [1,1,0,0,0,0|1,0,0]=3 150 B10R1.28 O=S(=O)(O)C1=CC=CC=C1 I11569 [1,1,0,0,0,0|2,0,0]=4 151 B10R1.61 C=C(C)C1=C(I)C=CC=C1 E72643 [1,1,0,0,0,0|2,0,0]=4 152 B10R1.61 CC(=O)C1=C(C)C=CN=C1 69949 [1,1,0,0,0,0|0,0,0]=2 153 B10R1.61 CC(=O)C1=C(C)C=NC=C1 28203 [1,1,0,0,0,0|2,0,0]=4 154 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 86430 [1,1,0,0,0,0|0,0,0]=2 155 B10R1.61 CC(=O)C1=C(N)C=NC=C1 W18377 [1,1,0,0,0,0|2,0,0]=4 156 B10R1.61 CC(=O)C1=C(S)C=CC=C1 93483 [1,1,0,0,0,0|1,0,0]=3 157 B10R1.61 CC(=O)C1=CC=CNC1=O C10188 [1,1,0,0,0,0|0,0,1]=3 158 B10R1.61 CC(=O)C1=NC=CN=C1N P10974 [1,1,0,0,0,0|1,0,0]=3 159 B10R1.61 CC1=[13C](C(=O)O)C=CC=C1 D98685 [1,1,0,0,0,0|1,0,0]=3 160 B10R1.61 C[C@H](N)C1=CC=CN=C1N P19332 [1,1,0,0,0,0|1,0,1]=4 161 B10R1.61 C[C@H](O)C1=C(N)N=CC=C1 C10363 [1,1,0,0,0,0|0,0,2]=4 162 B10R1.61 NC(=O)C1=C(O)N=CC=C1 D74336 [1,1,0,0,0,0|1,0,0]=3 163 B10R1.61 NC(=S)C1=CC=CN=C1Cl 31340 [1,1,0,0,0,0|1,1,0]=4 164 B10R1.61 NC1=C(B(O)O)C=NC=C1 AT12798 [1,1,0,0,0,0|1,0,1]=4 165 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 78917 [1,1,0,0,0,0|0,0,0]=2 166 B10R1.61 O=C(O)C1=CN=CN=C1Cl F10440 [1,1,0,0,0,0|1,0,0]=3 167 B10R1.61 O=C([O-])C1=C(Cl)C=CC=C1 I11424 [1,1,0,0,0,0|1,0,1]=4 168 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 FD10574 [1,1,0,0,0,0|1,0,1]=4 169 B10R1.61 O=[N+]([O-])C1=CC=CN=C1I AB10380 [1,1,0,0,0,0|1,0,1]=4 170 B10R1.61 O=[N+]([O-])C1=CC=CN=C1S T72399 [1,1,0,0,0,0|1,0,1]=4 171 B10R1.61 OB(O)C1=C(Br)C=CN=C1 FD10196 [1,1,0,0,0,0|1,0,1]=4 172 B10R1.61 OB(O)C1=C(Cl)C=CN=C1 AT14944 [1,1,0,0,0,0|1,0,1]=4 173 B10R1.61 OB(O)C1=C(F)C=CN=C1 FD10200 [1,1,0,0,0,0|1,0,1]=4 174 B10R1.113 C=C(C)C1=CC=CC(Br)=C1 AC1303 [1,1,0,0,0,0|2,0,0]=4 175 B10R1.113 CC(=O)C1=CC(=O)NC=C1 90624 [1,1,0,0,0,0|2,0,0]=4 176 B10R1.113 CC(=O)C1=CN=NC(C)=C1 E71800 [1,1,0,0,0,0|1,0,0]=3 177 B10R1.113 CC(=O)C1=NC(N)=CC=C1 N14723 [1,1,0,0,0,0|2,0,0]=4 178 B10R1.113 CN(C)C1=CC(Br)=CN=C1 N10343 [1,1,0,0,0,0|2,0,0]=4 179 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 90822 [1,1,0,0,0,0|1,0,1]=4 180 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 90825 [1,1,0,0,0,0|1,0,1]=4 181 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 N10537 [1,1,0,0,0,0|1,0,1]=4 182 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 N13087 [1,1,0,0,0,0|1,0,1]=4 183 B10R1.113 C[C@H](O)C1=CC(F)=CN=C1 AT10686 [1,1,0,0,0,0|0,0,2]=4 184 B10R1.113 C[S@](=O)C1=CC=CC(Br)=C1 F50248 [1,1,0,0,0,0|2,0,0]=4 185 B10R1.113 C[S@](=O)C1=CC=CC(Br)=C1 F50315 [1,1,0,0,0,0|2,0,0]=4 186 B10R1.113 NC(=O)C1=CN=CC(Br)=N1 W17936 [1,1,0,0,0,0|2,0,0]=4 187 B10R1.113 NC1=CC(B(O)O)=CN=C1 AT14947 [1,1,0,0,0,0|1,0,1]=4 188 B10R1.113 O=C(O)C1=NC=CC(O)=C1 AC3399 [1,1,0,0,0,0|2,0,0]=4 189 B10R1.113 O=C([O-])C1=CC=CC(Cl)=C1 I11436 [1,1,0,0,0,0|1,0,1]=4 190 B10R1.113 OB(O)C1=CC(O)=CN=C1 AT14949 [1,1,0,0,0,0|1,0,1]=4 191 B10R1.1 CC1=NC=C(\C=C\Br)C=C1 F50214 [1,1,0,0,0,0|2,0,0]=4 192 B10R1.1 COCC1=CC=C(S)C=C1 AT20980 [1,1,0,0,0,0|1,0,1]=4 193 B10R1.4 CCNC1=CC=CN=C1O F30124 [1,1,0,0,0,0|2,0,0]=4 194 B10R1.4 CCOC1=C(C)C=CN=C1 AC4346 [1,1,0,0,0,0|2,0,0]=4 195 B10R1.4 CCOC1=CC=CN=C1Cl W17868 [1,1,0,0,0,0|2,0,0]=4 196 B10R1.10 COCC1=CC(N)=CC=C1 30379 [1,1,0,0,0,0|1,0,1]=4 197 B10R1.17 CNCCC1=CC=CN=C1 C73747 [1,1,0,0,0,0|1,0,1]=4 198 B10R1.17 NC\C=C\C1=CC=CC=C1 A12523 [1,1,0,0,0,0|2,0,0]=4 199 B10R1.17 OCCCC1=CN=CC=C1 AC5531 [1,1,0,0,0,0|1,0,1]=4 200 B10R1.17 SCCCC1=CN=CC=C1 F18019 [1,1,0,0,0,0|1,0,1]=4 201 B10R1.18 C[S@](=O)CC1=CN=CC=C1 E72354 [1,1,0,0,0,0|0,1,1]=4 202 B10R1.11 CCCC(=O)C1=CC=CO1 N14287 [0,1,0,0,1,0|2,0,0]=4 203 B10R1.11 CCOC(=O)C1=CN=NN1 29441 [0,1,0,0,1,0|2,0,0]=4 204 B10R1.11 CCOC(=O)C1=NC=NS1 AC6985 [0,1,0,0,1,0|2,0,0]=4 205 B10R1.11 COCC(=O)C1=CC=CO1 AT17460 [0,1,0,0,1,0|1,0,0]=3 206 B10R1.11 O=C(CCCl)C1=CC=CS1 D76604 [0,1,0,0,1,0|2,0,0]=4 207 B10R1.14 CCC(=O)C1=CC=C(Br)O1 N14292 [0,1,0,0,1,0|2,0,0]=4 208 B10R1.14 CNC(=O)C1=CC=C(N)S1 92880 [0,1,0,0,1,0|2,0,0]=4 209 B10R1.14 COC(=O)C1=CC(N)=NO1 D78675 [0,1,0,0,1,0|1,0,0]=3 210 B10R1.14 COC(=O)C1=CC=C(F)S1 D87046 [0,1,0,0,1,0|1,0,0]=3 211 B10R1.14 COC(=O)C1=CN=C(S)S1 SC1359 [0,1,0,0,1,0|1,0,0]=3 212 B10R1.14 COC(=O)C1=CNC(=S)N1 S11050 [0,1,0,0,1,0|1,0,1]=4 213 B10R1.14 COC(=O)C1=CNC(C)=C1 AT21660 [0,1,0,0,1,0|0,0,1]=3 214 B10R1.14 COC(=O)C1=CNC(Cl)=C1 AC6843 [0,1,0,0,1,0|0,0,1]=3 215 B10R1.14 COC(=O)C1=COC(I)=N1 O11880 [0,1,0,0,1,0|1,0,0]=3 216 B10R1.14 COC(=O)C1=CSC(I)=C1 74713 [0,1,0,0,1,0|1,0,0]=3 217 B10R1.14 COC(=O)C1=NSC(N)=N1 AT11908 [0,1,0,0,1,0|2,0,0]=4 218 B10R1.23 CC(=O)C(=O)C1=CC=CS1 H11148 [0,1,0,0,1,0|2,0,0]=4 219 B10R1.149 COC(=O)C1=C(Br)N=CO1 D72101 [0,1,0,0,1,0|1,0,0]=3 220 B10R1.149 COC(=O)C1=C(Br)N=CS1 AT21323 [0,1,0,0,1,0|1,0,0]=3 221 B10R1.149 COC(=O)C1=C(C)C=NN1 D86990 [0,1,0,0,1,0|1,0,0]=3 222 B10R1.149 COC(=O)C1=C(Cl)N=CS1 C71076 [0,1,0,0,1,0|1,0,0]=3 223 B10R1.149 COC(=O)C1=C(F)C=CN1 91532 [0,1,0,0,1,0|0,0,1]=3 224 B10R1.149 COC(=O)C1=C(N)C=CN1 D86691 [0,1,0,0,1,0|0,0,1]=3 225 B10R1.149 COC(=O)C1=CNN=C1I C14509 [0,1,0,0,1,0|1,0,0]=3 226 B10R1.149 COC(=O)C1=CON=C1Br C77578 [0,1,0,0,1,0|1,0,0]=3 227 B10R1.149 COC(=O)C1=CSC=C1C 57777 [0,1,0,0,1,0|1,0,0]=3 228 B10R1.149 COC(=O)C1=NN=CN1C W17759 [0,1,0,0,1,0|2,0,0]=4 229 B10R1.149 COC(=O)C1=NSC=C1Br D80070 [0,1,0,0,1,0|1,0,0]=3 230 B10R1.149 COC(=O)C1=NSC=C1N AT21157 [0,1,0,0,1,0|1,0,0]=3 231 B12R1.32 CCOC(=O)CC1=CC=NC=C1 31557 [0,1,0,0,0,1|2,0,0]=4 232 B12R1.32 CCOC(=O)CC1=CN=CN=C1 F53477 [0,1,0,0,0,1|1,0,0]=3 233 B12R1.32 CCOC(=O)NC1=CN=CC=C1 F14111 [0,1,0,0,0,1|0,0,0]=2 234 B12R1.32 CCOC(=O)OC1=NC=CC=C1 F18008 [0,1,0,0,0,1|2,0,0]=4 235 B12R1.32 NCCC(=O)NC1=CC=CC=C1 F21144 [0,1,0,0,0,1|2,0,0]=4 236 B12R1.34 CCC(=O)[C@H](C)C1=CC=CC=C1 F30714 [0,1,0,0,0,1|2,0,0]=4 237 B12R1.34 CNC(=O)[C@H](O)C1=CC=CC=C1 E72123 [0,1,0,0,0,1|2,0,0]=4 238 B12R1.34 COC(=O)[C@H](C)C1=CN=CC=C1 P11935 [0,1,0,0,0,1|0,0,0]=2 239 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 N12667 [0,1,0,0,0,1|1,0,0]=3 240 B12R1.34 COC(=O)[C@H](N)C1=NC=CC=C1 O11860 [0,1,0,0,0,1|2,0,0]=4 241 B12R1.43 C[C@H](N)C(=O)NC1=CC=CC=C1 F15365 [0,1,0,0,0,1|2,0,0]=4 242 B12R1.43 C[C@H](N)C(=O)OC1=CC=CC=C1 F52322 [0,1,0,0,0,1|2,0,0]=4 243 B12R1.43 C[C@H](O)C(=O)NC1=CC=CC=C1 F15116 [0,1,0,0,0,1|2,0,0]=4 244 B12R1.49 CCC(=O)CC1=CC=C(Cl)C=C1 N12627 [0,1,0,0,0,1|2,0,0]=4 245 B12R1.49 CCC(=O)CC1=CC=C(I)C=C1 85181 [0,1,0,0,0,1|2,0,0]=4 246 B12R1.49 COC(=O)CC1=CN=C(N)C=C1 D71900 [0,1,0,0,0,1|0,0,0]=2 247 B12R1.49 COC(=O)CC1=NC=C(C)N=C1 C91525 [0,1,0,0,0,1|1,0,0]=3 248 B12R1.49 COC(=O)CC1=NC=C(Cl)C=C1 93630 [0,1,0,0,0,1|2,0,0]=4 249 B12R1.50 CCC(=O)CC1=CC=CC(Br)=C1 N14158 [0,1,0,0,0,1|2,0,0]=4 250 B12R1.50 CCC(=O)CC1=CC=CC(F)=C1 N14137 [0,1,0,0,0,1|2,0,0]=4 251 B12R1.50 CNC(=O)CC1=CC(N)=CC=C1 N10567 [0,1,0,0,0,1|2,0,0]=4 252 B12R1.50 COC(=O)CC1=CC(C)=NC=C1 D87645 [0,1,0,0,0,1|2,0,0]=4 253 B12R1.50 COC(=O)CC1=CC(Cl)=NC=C1 D71961 [0,1,0,0,0,1|2,0,0]=4 254 B12R1.50 COC(=O)CC1=CC=CC(Br)=N1 AT23263 [0,1,0,0,0,1|2,0,0]=4 255 B12R1.50 COC(=O)CC1=CN=CC(Cl)=N1 AT19766 [0,1,0,0,0,1|1,0,0]=3 256 B12R1.50 COC(=O)CC1=NC=CC(Cl)=C1 AT23282 [0,1,0,0,0,1|2,0,0]=4 257 B12R1.371 CCC(=O)CC1=C(Br)C=CC=C1 N12602 [0,1,0,0,0,1|2,0,0]=4 258 B12R1.371 CCC(=O)CC1=C(C)C=CC=C1 N14163 [0,1,0,0,0,1|2,0,0]=4 259 B12R1.371 CCC(=O)CC1=C(Cl)C=CC=C1 N14147 [0,1,0,0,0,1|2,0,0]=4 260 B12R1.371 COC(=O)CC1=C(N)C=NC=C1 F17906 [0,1,0,0,0,1|2,0,0]=4 261 B12R1.10 COS(=O)(=O)C1=CC(F)=CC=C1 AC9841 [0,2,0,0,0,0|2,0,0]=4 262 B12R1.39 COCS(=O)(=O)C1=CC=CC=C1 T71828 [0,2,0,0,0,0|2,0,0]=4 263 B12R1.3 CO\C=C(\C#N)C1=CC=CC=C1 58279 [0,2,0,0,0,0|2,0,0]=4 264 B12R1.12 CCC(=C=O)C1=CC=C(C)C=C1 F50686 [0,2,0,0,0,0|2,0,0]=4 265 B12R1.16 CCCC(=O)C1=CN=C(Br)C=C1 N14277 [0,2,0,0,0,0|1,0,0]=3 266 B12R1.16 CCOC(=N)C1=CC=C(Br)C=C1 91791 [0,2,0,0,0,0|2,0,0]=4 267 B12R1.16 CCOC(=O)C1=CNC(=O)N=C1 S11950 [0,2,0,0,0,0|1,0,0]=3 268 B12R1.17 CCCC(=O)C1=CC(C)=CC=C1 N13969 [0,2,0,0,0,0|2,0,0]=4 269 B12R1.17 CCCC(=O)C1=CC(F)=CN=C1 N14269 [0,2,0,0,0,0|1,0,0]=3 270 B12R1.17 CCCC(=O)C1=CC=CC(Cl)=C1 N13955 [0,2,0,0,0,0|2,0,0]=4 271 B12R1.17 CCCC(=O)C1=CC=CC(F)=C1 N13952 [0,2,0,0,0,0|2,0,0]=4 272 B12R1.17 CCNC(=O)C1=CC=CC(Br)=C1 AC7790 [0,2,0,0,0,0|2,0,0]=4 273 B12R1.17 CCOC(=N)C1=CC=CC(F)=C1 91789 [0,2,0,0,0,0|2,0,0]=4 274 B12R1.17 CCOC(=N)C1=CC=CC(F)=C1 D87710 [0,2,0,0,0,0|2,0,0]=4 275 B12R1.30 NCCCC(=O)C1=CN=CC=C1 D84284 [0,2,0,0,0,0|1,0,0]=3 276 B12R1.30 O=C(OCCO)C1=CC=CC=C1 E72195 [0,2,0,0,0,0|1,0,0]=3 277 B12R1.30 O=C(SCCS)C1=CC=CC=C1 D76612 [0,2,0,0,0,0|1,1,0]=4 278 B12R1.107 CC(=O)CC(=O)C1=CN=CC=C1 F50499 [0,2,0,0,0,0|1,0,0]=3 279 B12R1.107 CC(C)CC(=O)C1=CN=CC=C1 F30170 [0,2,0,0,0,0|1,0,0]=3 280 B12R1.308 C=COC(=O)C1=C(Cl)C=CC=C1 T70344 [0,2,0,0,0,0|1,0,1]=4 281 B12R1.308 CCCC(=O)C1=C(Br)C=CC=C1 N13959 [0,2,0,0,0,0|2,0,0]=4 282 B12R1.308 CCCC(=O)C1=C(C)C=CC=C1 N13966 [0,2,0,0,0,0|2,0,0]=4 283 B12R1.308 CCCC(=O)C1=C(Cl)C=CC=C1 N12776 [0,2,0,0,0,0|2,0,0]=4 284 B12R1.308 CCCC(=O)C1=C(Cl)C=CN=C1 N14268 [0,2,0,0,0,0|1,0,0]=3 285 B12R1.308 CCCC(=O)C1=C(F)C=CC=C1 N13948 [0,2,0,0,0,0|2,0,0]=4 286 B12R1.308 CCCC(=O)C1=CC=CN=C1Br N14265 [0,2,0,0,0,0|1,0,0]=3 287 B12R1.308 CCOC(=N)C1=C(F)C=CC=C1 AC6130 [0,2,0,0,0,0|2,0,0]=4 288 B12R1.308 CCOC(=O)C1=C(C)C=NC=C1 90030 [0,2,0,0,0,0|2,0,0]=4 289 B12R1.308 CCOC(=O)C1=C(Cl)C=CN=C1 25333 [0,2,0,0,0,0|0,0,0]=2 290 B12R1.308 CCOC(=O)C1=CC=CN=C1F 91498 [0,2,0,0,0,0|0,0,0]=2 291 B12R1.308 CCOC(=O)C1=NC=CC=C1O AC5369 [0,2,0,0,0,0|2,0,0]=4 292 B12R1.5 C=CC1=CN=C(C(=O)OC)C=N1 57063 [0,2,0,0,0,0|1,0,0]=3 293 B12R1.5 CCC1=NC=C(C(=O)OC)C=C1 92554 [0,2,0,0,0,0|0,0,0]=2 294 B12R1.5 CNC(=O)C1=CC=C(CBr)C=C1 D97640 [0,2,0,0,0,0|2,0,0]=4 295 B12R1.5 CNC(=O)C1=CC=C(CN)C=C1 97528 [0,2,0,0,0,0|2,0,0]=4 296 B12R1.5 COC(=O)C1=CN=C(CN)C=C1 57141 [0,2,0,0,0,0|0,0,0]=2 297 B12R1.5 COC(=O)C1=CN=C(CN)C=C1 P16732 [0,2,0,0,0,0|0,0,0]=2 298 B12R1.5 COC(=O)C1=NC=C(C#N)N=C1 N13264 [0,2,0,0,0,0|1,0,0]=3 299 B12R1.5 COC(=O)C1=NC=C(CO)N=C1 89312 [0,2,0,0,0,0|1,0,0]=3 300 B12R1.5 COC(=O)C1=NN=C(CN)C=C1 57149 [0,2,0,0,0,0|1,0,0]=3 301 B12R1.5 COC(=O)C1=NN=C(OC)C=C1 94343 [0,2,0,0,0,0|1,0,0]=3 302 B12R1.5 COC1=NC=C(C(=O)CCl)C=C1 D77905 [0,2,0,0,0,0|2,0,0]=4 303 B12R1.5 COC1=NC=C(C(=O)NN)C=C1 W19083 [0,2,0,0,0,0|2,0,0]=4 304 B12R1.20 CC(=O)C(=O)C1=CC=C(Br)C=C1 H11214 [0,2,0,0,0,0|2,0,0]=4 305 B12R1.20 CC(=O)C(=O)C1=CC=C(C)C=C1 H11218 [0,2,0,0,0,0|2,0,0]=4 306 B12R1.20 CC(C)C(=O)C1=CN=C(Cl)C=C1 N14276 [0,2,0,0,0,0|1,0,0]=3 307 B12R1.20 CN(C)C(=O)C1=NN=C(Cl)C=C1 AT10927 [0,2,0,0,0,0|2,0,0]=4 308 B12R1.20 C[C@H](Cl)C(=O)C1=CC=C(F)C=C1 C16405 [0,2,0,0,0,0|2,0,0]=4 309 B12R1.367 CCC(=O)C1=CC(Br)=C(Cl)C=C1 N12212 [0,2,0,0,0,0|2,0,0]=4 310 B12R1.367 CCC(=O)C1=CC(Cl)=C(Br)C=C1 97339 [0,2,0,0,0,0|2,0,0]=4 311 B12R1.367 CCC(=O)C1=CC(Cl)=C(C)C=C1 N14084 [0,2,0,0,0,0|2,0,0]=4 312 B12R1.367 CCC(=O)C1=CC(F)=C(Br)C=C1 N14051 [0,2,0,0,0,0|2,0,0]=4 313 B12R1.367 CCC(=O)C1=CC(F)=C(Cl)C=C1 N14046 [0,2,0,0,0,0|2,0,0]=4 314 B12R1.367 COC(=O)C1=CC(Cl)=C(O)N=C1 AT11135 [0,2,0,0,0,0|0,0,0]=2 315 B12R1.367 COC(=O)C1=CC(N)=C(Br)C=N1 D74352 [0,2,0,0,0,0|2,0,0]=4 316 B12R1.367 COC(=O)C1=CC=C(O)C(I)=N1 96802 [0,2,0,0,0,0|2,0,0]=4 317 B12R1.367 COC(=O)C1=CN=C(Br)C(N)=N1 C77527 [0,2,0,0,0,0|1,0,0]=3 318 B12R1.367 COC(=O)C1=CN=C(I)C(Br)=C1 89892 [0,2,0,0,0,0|0,0,0]=2 319 B12R1.367 COC(=O)C1=CN=C(N)C(I)=N1 P13454 [0,2,0,0,0,0|1,0,0]=3 320 B12R1.367 COC(=O)C1=CN=C(O)C(N)=C1 F30140 [0,2,0,0,0,0|0,0,0]=2 321 B12R1.367 COC(=O)C1=CNC(=O)C(C)=N1 F12724 [0,2,0,0,0,0|1,0,1]=4 322 B12R1.367 COC(=O)C1=NC(C)=C(C)N=C1 O11945 [0,2,0,0,0,0|1,0,0]=3 323 B12R1.367 COC(=O)C1=NC(C)=C(O)C=C1 E72133 [0,2,0,0,0,0|2,0,0]=4 324 B12R1.367 COC(=O)C1=NC(O)=C(C)C=C1 90208 [0,2,0,0,0,0|2,0,0]=4 325 B12R1.367 COC(=O)C1=NC=C(N)C(C)=C1 38815 [0,2,0,0,0,0|2,0,0]=4 326 B12R1.367 COC(=O)C1=NNC(=O)C(Br)=C1 C93106 [0,2,0,0,0,0|1,0,1]=4 327 B12R1.1703 CCC(=O)C1=C(Br)C=C(Br)C=C1 N14094 [0,2,0,0,0,0|2,0,0]=4 328 B12R1.1703 CCC(=O)C1=C(C)C=C(C)C=C1 N12084 [0,2,0,0,0,0|2,0,0]=4 329 B12R1.1703 CCC(=O)C1=C(C)C=C(O)C=C1 91379 [0,2,0,0,0,0|2,0,0]=4 330 B12R1.1703 CCC(=O)C1=C(Cl)C=C(Br)C=C1 98264 [0,2,0,0,0,0|2,0,0]=4 331 B12R1.1703 CCC(=O)C1=C(Cl)C=C(C)C=C1 N14082 [0,2,0,0,0,0|2,0,0]=4 332 B12R1.1703 CCC(=O)C1=C(F)C=C(C)C=C1 N14029 [0,2,0,0,0,0|2,0,0]=4 333 B12R1.1703 CCC(=O)C1=C(O)C=C(Cl)C=C1 98266 [0,2,0,0,0,0|2,0,0]=4 334 B12R1.1703 CNC(=O)C1=C(Cl)C=C(N)C=C1 92895 [0,2,0,0,0,0|2,0,0]=4 335 B12R1.1703 COC(=O)C1=C(C)OC(=O)C=C1 C16199 [0,2,0,0,0,0|1,0,0]=3 336 B12R1.1703 COC(=O)C1=C(Cl)N=C(Br)C=C1 D74278 [0,2,0,0,0,0|0,0,0]=2 337 B12R1.1703 COC(=O)C1=C(N)N=C(N)N=C1 F30784 [0,2,0,0,0,0|1,0,0]=3 338 B12R1.1703 COC(=O)C1=C(S)C=C(Cl)C=C1 AT20785 [0,2,0,0,0,0|1,0,0]=3 339 B12R1.1703 COC(=O)C1=CN=C(Br)C=C1Br F17566 [0,2,0,0,0,0|0,0,0]=2 340 B12R1.24 CCC(=O)C1=C(C)C(C)=CC=C1 N14095 [0,2,0,0,0,0|2,0,0]=4 341 B12R1.24 CCC(=O)C1=C(Cl)C(C)=CC=C1 N14078 [0,2,0,0,0,0|2,0,0]=4 342 B12R1.24 CCC(=O)C1=C(F)C(C)=CC=C1 N14020 [0,2,0,0,0,0|2,0,0]=4 343 B12R1.24 CCC(=O)C1=CC=CC(Br)=C1F N14019 [0,2,0,0,0,0|2,0,0]=4 344 B12R1.24 CCC(=O)C1=CC=CC(Cl)=C1Cl N14074 [0,2,0,0,0,0|2,0,0]=4 345 B12R1.24 CCC(=O)C1=CC=CC(Cl)=C1F 97466 [0,2,0,0,0,0|2,0,0]=4 346 B12R1.24 CCC(=O)C1=CC=CC(Cl)=C1O P17540 [0,2,0,0,0,0|2,0,0]=4 347 B12R1.24 CNC(=O)C1=C(O)C(N)=CC=C1 F19753 [0,2,0,0,0,0|2,0,0]=4 348 B12R1.24 CNC(=O)C1=CC=CC(Br)=C1F AT22330 [0,2,0,0,0,0|2,0,0]=4 349 B12R1.24 CNC(=O)C1=CC=CC(Br)=C1N F15703 [0,2,0,0,0,0|2,0,0]=4 350 B12R1.24 COC(=O)C1=C(S)C(C)=CC=C1 AT20789 [0,2,0,0,0,0|1,0,0]=3 351 B12R1.24 COC(=O)C1=CC=CC(F)=C1Br D75737 [0,2,0,0,0,0|1,0,0]=3 352 B12R1.24 COC(=O)C1=CC=CC(O)=C1I 89862 [0,2,0,0,0,0|1,0,0]=3 353 B12R1.24 COC(=O)C1=CN=CC([O-])=C1Cl D81651 [0,2,0,0,0,0|0,0,0]=2 354 B12R1.225 CC(C)C(=O)C1=CC(Br)=CN=C1 N14272 [0,2,0,0,0,0|1,0,0]=3 355 B12R1.225 CC(C)C(=O)C1=CC=CC(Cl)=C1 N13957 [0,2,0,0,0,0|2,0,0]=4 356 B12R1.225 CC(C)C(=O)C1=CC=CC(F)=C1 N13951 [0,2,0,0,0,0|2,0,0]=4 357 B12R1.225 C[C@H](N)C(=O)C1=CC(O)=CC=C1 A11727 [0,2,0,0,0,0|2,0,0]=4 358 B12R1.225 C[C@H](N)C(=O)C1=CC=CC(Cl)=C1 AC1513 [0,2,0,0,0,0|2,0,0]=4 359 B12R1.354 CCC(=O)C1=C(Br)C=CC(Br)=C1 N14118 [0,2,0,0,0,0|2,0,0]=4 360 B12R1.354 CCC(=O)C1=C(Cl)C=CC(Cl)=C1 N14112 [0,2,0,0,0,0|2,0,0]=4 361 B12R1.354 CCC(=O)C1=C(F)C=CC(C)=C1 N14035 [0,2,0,0,0,0|2,0,0]=4 362 B12R1.354 CCC(=O)C1=C(F)C=CC(Cl)=C1 N14033 [0,2,0,0,0,0|2,0,0]=4 363 B12R1.354 CNC(=O)C1=CC(Br)=CN=C1Cl AT23099 [0,2,0,0,0,0|1,0,0]=3 364 B12R1.354 COC(=O)C1=C(Br)C=CC(F)=N1 85646 [0,2,0,0,0,0|2,0,0]=4 365 B12R1.354 COC(=O)C1=C(C)N=CC(N)=C1 F14199 [0,2,0,0,0,0|0,0,0]=2 366 B12R1.354 COC(=O)C1=C(I)C=CC(O)=C1 A10040 [0,2,0,0,0,0|1,0,0]=3 367 B12R1.354 COC(=O)C1=C(S)C=CC(Br)=C1 93490 [0,2,0,0,0,0|1,0,0]=3 368 B12R1.354 COC(=O)C1=CC(Cl)=CN=C1Br D76941 [0,2,0,0,0,0|0,0,0]=2 369 B12R1.354 COC(=O)C1=CC(Cl)=CN=C1F 21049 [0,2,0,0,0,0|0,0,0]=2 370 B12R1.354 COC(=O)C1=CC(Cl)=NC=C1C AT21682 [0,2,0,0,0,0|2,0,0]=4 371 B12R1.354 COC(=O)C1=CC(F)=CN=C1N F30089 [0,2,0,0,0,0|0,0,0]=2 372 B12R1.354 COC(=O)C1=NC(C)=CN=C1C O11898 [0,2,0,0,0,0|1,0,0]=3 373 B12R1.358 CCC(=O)C1=CC(Br)=CC(F)=C1 N12779 [0,2,0,0,0,0|2,0,0]=4 374 B12R1.358 CCC(=O)C1=CC(C)=CC(F)=C1 N14070 [0,2,0,0,0,0|2,0,0]=4 375 B12R1.358 COC(=N)C1=CC(Br)=CC(Cl)=C1 AC4896 [0,2,0,0,0,0|2,0,0]=4 376 B12R1.358 COC(=O)C1=CC(I)=CC(F)=C1 94381 [0,2,0,0,0,0|1,0,0]=3 377 B12R1.358 COC(=O)C1=CC(O)=CC(C)=C1 AT19448 [0,2,0,0,0,0|1,0,0]=3 378 B12R1.358 COC(=O)C1=CC(O)=NC(O)=C1 AC7582 [0,2,0,0,0,0|2,0,0]=4 379 B12R1.435 C=CC1=CC=CC(C(=O)OC)=N1 87880 [0,2,0,0,0,0|2,0,0]=4 380 B12R1.435 CNC(=O)C1=CC(CN)=CC=C1 A50522 [0,2,0,0,0,0|2,0,0]=4 381 B12R1.435 COC(=O)C1=CC(CBr)=NC=C1 O11854 [0,2,0,0,0,0|2,0,0]=4 382 B12R1.435 COC(=O)C1=CC(SC)=CN=C1 31497 [0,2,0,0,0,0|0,0,0]=2 383 B12R1.435 COC(=O)C1=CN=NC(OC)=C1 F30499 [0,2,0,0,0,0|1,0,0]=3 384 B12R1.435 COC(=O)C1=NC(CN)=CC=C1 AC8758 [0,2,0,0,0,0|2,0,0]=4 385 B12R1.124 CC(C)C(=O)C1=C(Br)C=CC=C1 N13960 [0,2,0,0,0,0|2,0,0]=4 386 B12R1.124 CC(C)C(=O)C1=CC=CN=C1Br N14266 [0,2,0,0,0,0|1,0,0]=3 387 B12R1.124 CC1=C(C(=O)C(C)C)C=CC=C1 N12569 [0,2,0,0,0,0|2,0,0]=4 388 B12R1.124 CN(C)C(=O)C1=C(S)C=CC=C1 AC9832 [0,2,0,0,0,0|2,0,0]=4 389 B12R1.564 CC(C)(C)C(=O)C1=CN=CN=C1 F18705 [0,2,0,0,0,0|2,0,0]=4 390 B12R1.564 CC(C)(N)C(=O)C1=CC=CC=C1 72852 [0,2,0,0,0,0|2,0,0]=4 391 B12R1.564 O=C(C1=CN=CC=C1)C(F)(F)F S10645 [0,2,0,0,0,0|2,0,0]=4 392 B12R1.564 [2H]C([2H])(C)C(=O)C1=CC=CC=C1 D99368 [0,2,0,0,0,0|2,0,0]=4 393 B12R1.77 COC(=O)C1=C(C#N)C=CN=C1 D87572 [0,2,0,0,0,0|0,0,0]=2 394 B12R1.77 COC(=O)C1=C(C=O)C=CN=C1 W18508 [0,2,0,0,0,0|0,0,0]=2 395 B12R1.77 COC(=O)C1=C(CBr)C=CN=C1 D80980 [0,2,0,0,0,0|0,0,0]=2 396 B12R1.77 COC(=O)C1=C(CCl)C=NC=C1 90031 [0,2,0,0,0,0|2,0,0]=4 397 B12R1.77 COC(=O)C1=C(CN)N=CC=C1 D87629 [0,2,0,0,0,0|0,0,0]=2 398 B12R1.77 COC(=O)C1=C(OC)C=NC=C1 S10378 [0,2,0,0,0,0|2,0,0]=4 399 B12R1.77 COC(=O)C1=C(OC)N=CN=C1 AC6904 [0,2,0,0,0,0|1,0,0]=3 400 B12R1.77 COC(=O)C1=C(OC)N=NC=C1 F30440 [0,2,0,0,0,0|1,0,0]=3 401 B12R1.77 COC(=O)C1=CC=CN=C1CBr 90029 [0,2,0,0,0,0|0,0,0]=2 402 B12R1.77 COC(=O)C1=NC=CN=C1C#N F51594 [0,2,0,0,0,0|1,0,0]=3 403 B12R1.3441 CCC(=O)C1=C(Br)C=CC=C1F N14041 [0,2,0,0,0,0|2,0,0]=4 404 B12R1.3441 CCC(=O)C1=C(C)C=CC=C1C N14109 [0,2,0,0,0,0|2,0,0]=4 405 B12R1.3441 CCC(=O)C1=C(Cl)C=CC=C1Cl N12942 [0,2,0,0,0,0|2,0,0]=4 406 B12R1.3441 CCC(=O)C1=C(Cl)C=CC=C1F N12941 [0,2,0,0,0,0|2,0,0]=4 407 B12R1.3441 CCC(=O)C1=C(F)C=CC=C1C N14043 [0,2,0,0,0,0|2,0,0]=4 408 B12R1.3441 COC(=O)C1=C(Br)C=CC=C1Br N11752 [0,2,0,0,0,0|1,0,0]=3 409 B12R1.3441 COC(=O)C1=C(Br)C=CN=C1Cl 55293 [0,2,0,0,0,0|0,0,0]=2 410 B12R1.3441 COC(=O)C1=C(Br)C=NC=C1F AT10438 [0,2,0,0,0,0|2,0,0]=4 411 B12R1.3441 COC(=O)C1=C(C)C=CN=C1Br 90162 [0,2,0,0,0,0|0,0,0]=2 412 B12R1.3441 COC(=O)C1=C(C)C=CN=C1Cl 82626 [0,2,0,0,0,0|0,0,0]=2 413 B12R1.3441 COC(=O)C1=C(Cl)C=CC=C1N 51169 [0,2,0,0,0,0|1,0,0]=3 414 B12R1.3441 COC(=O)C1=C(O)N=CC=C1C 82630 [0,2,0,0,0,0|0,0,0]=2 415 B10R1.2 CN1C=CC=C(C=O)C1=O 55279 [0,0,1,1,0,0|2,0,0]=4 416 B10R1.27 COC(=O)CC1=CC=CN1 AB10301 [0,0,1,1,0,0|0,0,2]=4 417 B10R1.27 COC(=O)CC1=NNC=C1 F14156 [0,0,1,1,0,0|1,0,1]=4 418 B10R1.172 C=CC1=CC=CC(OC)=N1 52911 [0,0,1,1,0,0|2,0,0]=4 419 B10R1.172 COC1=CC=NC(C=O)=N1 AT18294 [0,0,1,1,0,0|2,0,0]=4 420 B10R2.7 C1=CC2=C(C=CO2)C=N1 D74565 [1,0,0,1,0,0|2,0,0]=4 421 B10R2.32 O=C1CCC2=C1C=NN2 D85467 [0,0,0,1,1,0|2,0,0]=4 422 B10R2.32 O=C1CCC2=CNC=C12 F12460 [0,0,0,1,1,0|1,0,1]=4 423 B10R2.32 O=C1CCN2C=NC=C12 C13949 [0,0,0,1,1,0|2,0,0]=4 424 B10R2.32 O=C1NCC2=C1SC=C2 84280 [0,0,0,1,1,0|2,0,0]=4 425 B10R2.32 O=C1NCC2=CC=CN12 F52206 [0,0,0,1,1,0|2,0,0]=4 426 B12R2.18 O=C1NC2=C(C=CN=C2)C1=O W17877 [0,0,0,1,0,1|2,0,0]=4 427 B12R2.24 O=C1C=CC2=C(C=CC=N2)N1 97799 [0,0,0,1,0,1|1,0,1]=4 428 B12R2.24 O=C1C=NC2=C(C=CC=N2)N1 F14289 [0,0,0,1,0,1|2,0,0]=4 429 B12R2.24 O=C1NC2=C(C=CC=C2)CO1 AC3815 [0,0,0,1,0,1|1,0,0]=3 430 B12R2.24 O=C1NC2=C(C=CC=N2)CO1 AC7037 [0,0,0,1,0,1|2,0,0]=4 431 B12R2.24 O=C1NC2=C(C=CN=C2)CO1 AC5095 [0,0,0,1,0,1|0,0,0]=2 432 B12R2.1 COC1=NNC2=C1C=CC=C2 P11898 [0,1,0,1,0,0|2,0,0]=4 433 B12R2.2 C1=CC(C2=COC=N2)=CN=C1 O11100 [0,1,0,1,0,0|1,0,1]=4 434 B12R2.2 C1=CC(C2=NON=C2)=CN=C1 AC3813 [0,1,0,1,0,0|2,0,0]=4 435 B12R2.1081 O=C1CCCC2=NC=CN=C12 P11622 [0,1,0,1,0,0|2,0,0]=4 436 B12R2.1081 O=C1CNCC2=C1C=CC=C2 F12400 [0,1,0,1,0,0|2,0,0]=4 437 B12R2.1081 O=C1NC=CC2=C1C=NC=C2 37304 [0,1,0,1,0,0|1,0,1]=4 438 B12R2.1081 O=C1NN=CC2=C1C=NC=C2 84846 [0,1,0,1,0,0|1,0,1]=4 439 B12R2.1081 O=C1OC=NC2=C1C=CC=C2 D72797 [0,1,0,1,0,0|1,0,1]=4 440 B12R2.2028 CN1C=C(I)C2=C1C=CN=C2 89150 [0,1,0,1,0,0|2,0,0]=4 441 B12R2.2028 O=C1C[C@H](O)C2=C1C=CC=C2 93243 [0,1,0,1,0,0|2,0,0]=4 442 B12R2.2028 O=C1N[C@@H](O)C2=C1C=CC=N2 C14231 [0,1,0,1,0,0|1,0,0]=3 443 B12R2.612 CC1=CC2=C(C=C1)C(=O)NC2 F21430 [0,1,0,1,0,0|2,0,0]=4 444 B12R2.612 O=C1CCC2=C1C=CC(Cl)=N2 94539 [0,1,0,1,0,0|1,0,0]=3 445 B12R2.612 O=C1CCC2=C1C=CC(S)=C2 79915 [0,1,0,1,0,0|2,0,0]=4 446 B12R2.612 O=C1ONC2=C1C=CC(Br)=C2 D78660 [0,1,0,1,0,0|2,0,0]=4 447 B12R2.132 CC1=CC2=C(C=C1)COC2=O F13924 [0,1,0,1,0,0|1,0,0]=3 448 B12R2.132 O=C1NCC2=NC=C(F)C=C12 D82651 [0,1,0,1,0,0|1,0,0]=3 449 B12R2.132 O=C1NNC2=NC=C(Br)C=C12 C91217 [0,1,0,1,0,0|2,0,0]=4 450 B12R2.132 O=C1ONC2=C1C=C(Br)C=C2 D78661 [0,1,0,1,0,0|2,0,0]=4 451 B12R2.196 O=C1OCC2=C1C=NC=C2O 69355 [0,1,0,1,0,0|0,0,0]=2 452 B12R2.203 CC1=C2C(=O)NCC2=CC=C1 O11662 [0,1,0,1,0,0|2,0,0]=4 453 B12R2.203 CC1=C2C(=O)OCC2=CC=C1 I11580 [0,1,0,1,0,0|1,0,0]=3 454 B12R2.203 O=C1NCC2=NC=CC(Cl)=C12 E71331 [0,1,0,1,0,0|1,0,0]=3 455 B8R1.7 C=C(C)C1=NC=CS1 T71747 [1,0,0,0,1,0|2,0,0]=4 456 B8R1.7 CC(=O)C1=CN=CO1 F19037 [1,0,0,0,1,0|1,0,0]=3 457 B8R1.7 CC(=O)C1=COC=N1 AT18593 [1,0,0,0,1,0|1,0,0]=3 458 B8R1.7 CC(=O)C1=CSN=C1 AT21129 [1,0,0,0,1,0|1,0,0]=3 459 B8R1.7 CC(=O)C1=NNC=N1 AT12117 [1,0,0,0,1,0|2,0,0]=4 460 B8R1.7 NC(=O)C1=NOC=C1 AT19826 [1,0,0,0,1,0|2,0,0]=4 461 B8R1.7 O=C(Cl)C1=COC=N1 D78648 [1,0,0,0,1,0|2,0,0]=4 462 B8R1.7 O=C([O-])C1=NC=CO1 AT18513 [1,0,0,0,1,0|1,0,1]=4 463 B8R1.7 O=[S@](O)C1=CC=CS1 AT16558 [1,0,0,0,1,0|2,0,0]=4 464 B8R1.8 COCC1=NC=CN1 P10070 [1,0,0,0,1,0|1,0,1]=4 465 B12R1.27 COC(=O)C#CC1=CC=NC=C1 AC6823 [0,0,0,0,0,2|2,0,0]=4 466 B12R1.27 COC(=O)CCC1=NC=CN=C1 C15360 [0,0,0,0,0,2|1,0,0]=3