0 B7R1.1 BrCC1=CN=CS1 70967 [0,0,0,0,0,0|2,1,0]=3 1 B7R1.1 BrCC1=CNC=N1 AT15560 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.1 BrCC1=COC=N1 F13651 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.1 BrCC1=CSC=N1 70966 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.1 BrCC1=NSN=C1 AT12137 [0,0,0,0,0,0|4,0,0]=4 5 B7R1.1 C=CC1=NC=CS1 C72532 [0,0,0,0,0,0|1,1,2]=4 6 B7R1.1 CCC1=CN=CO1 C77473 [0,0,0,0,0,0|1,0,0]=1 7 B7R1.1 CCC1=COC=N1 C77618 [0,0,0,0,0,0|2,0,0]=2 8 B7R1.1 CCC1=NN=CN1 AT12320 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.1 CCN1N=CN=N1 F17210 [0,0,0,0,0,0|4,0,0]=4 10 B7R1.1 CNC1=CNN=C1 AT23101 [0,0,0,0,0,0|4,0,0]=4 11 B7R1.1 CNC1=NC=CS1 H11141 [0,0,0,0,0,0|2,1,0]=3 12 B7R1.1 CNC1=NN=CO1 AT18791 [0,0,0,0,0,0|3,0,0]=3 13 B7R1.1 CNC1=NN=CS1 71255 [0,0,0,0,0,0|3,1,0]=4 14 B7R1.1 COC1=NSC=C1 AT11777 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.1 ClCC1=CN=CS1 F13827 [0,0,0,0,0,0|2,1,0]=3 16 B7R1.1 ClCC1=CNC=N1 70851 [0,0,0,0,0,0|3,0,0]=3 17 B7R1.1 ClCC1=COC=N1 C16353 [0,0,0,0,0,0|3,0,0]=3 18 B7R1.1 ClCC1=CSC=C1 AT17055 [0,0,0,0,0,0|3,0,0]=3 19 B7R1.1 ClCC1=NC=CN1 35198 [0,0,0,0,0,0|3,0,0]=3 20 B7R1.1 ClCC1=NC=CS1 AC6679 [0,0,0,0,0,0|2,1,0]=3 21 B7R1.1 ClCC1=NN=CO1 C90532 [0,0,0,0,0,0|3,0,0]=3 22 B7R1.1 ClCN1C=CC=N1 79341 [0,0,0,0,0,0|3,0,0]=3 23 B7R1.1 NCC1=CC=NN1 P10323 [0,0,0,0,0,0|3,0,0]=3 24 B7R1.1 NCC1=CC=NS1 AT13366 [0,0,0,0,0,0|2,1,0]=3 25 B7R1.1 NCC1=CNC=N1 C90275 [0,0,0,0,0,0|3,0,0]=3 26 B7R1.1 NCC1=CNN=C1 83328 [0,0,0,0,0,0|4,0,0]=4 27 B7R1.1 NCC1=COC=C1 61502 [0,0,0,0,0,0|3,0,0]=3 28 B7R1.1 NCC1=COC=N1 73632 [0,0,0,0,0,0|3,0,0]=3 29 B7R1.1 NCC1=CSN=C1 AT21214 [0,0,0,0,0,0|4,0,0]=4 30 B7R1.1 NCC1=NC=NN1 S10770 [0,0,0,0,0,0|4,0,0]=4 31 B7R1.1 NCC1=NN=CO1 AT18772 [0,0,0,0,0,0|3,0,0]=3 32 B7R1.1 NCC1=NNC=N1 C14327 [0,0,0,0,0,0|4,0,0]=4 33 B7R1.1 NCC1=NSC=C1 P10783 [0,0,0,0,0,0|3,0,0]=3 34 B7R1.1 NNC1=CC=CS1 W17128 [0,0,0,0,0,0|2,1,0]=3 35 B7R1.1 NNC1=NC=CN1 25904 [0,0,0,0,0,0|4,0,0]=4 36 B7R1.1 NNC1=NC=CS1 D87841 [0,0,0,0,0,0|3,1,0]=4 37 B7R1.1 OCC1=CC=CN1 AT16114 [0,0,0,0,0,0|2,0,0]=2 38 B7R1.1 OCC1=CC=NN1 H11417 [0,0,0,0,0,0|3,0,0]=3 39 B7R1.1 OCC1=NC=CN1 D72609 [0,0,0,0,0,0|3,0,0]=3 40 B7R1.1 OCC1=NNN=C1 D78628 [0,0,0,0,0,0|4,0,0]=4 41 B7R1.1 OCC1=NON=C1 D74166 [0,0,0,0,0,0|4,0,0]=4 42 B7R1.1 SCC1=CC=CS1 T72725 [0,0,0,0,0,0|1,1,0]=2 43 B6R1.2 BrC1=CC=NS1 AT21099 [1,0,0,0,0,0|2,1,0]=4 44 B6R1.2 CC1=CN=CO1 C77581 [1,0,0,0,0,0|1,0,0]=2 45 B6R1.2 CC1=NC=CO1 O10838 [1,0,0,0,0,0|1,0,0]=2 46 B6R1.2 CC1=NSC=C1 AC6637 [1,0,0,0,0,0|2,0,0]=3 47 B6R1.2 ClC1=NC=CO1 F20650 [1,0,0,0,0,0|2,0,0]=3 48 B6R1.2 ClC1=NSC=C1 F19768 [1,0,0,0,0,0|3,0,0]=4 49 B6R1.2 NC1=CC=CS1 44128 [1,0,0,0,0,0|1,1,0]=3 50 B6R1.2 NC1=CC=CS1 F10359 [1,0,0,0,0,0|1,1,0]=3 51 B6R1.2 NC1=CC=NS1 W16800 [1,0,0,0,0,0|2,1,0]=4 52 B6R1.2 NC1=CNC=N1 P20245 [1,0,0,0,0,0|3,0,0]=4 53 B6R1.2 SC1=NC=CO1 AT18533 [1,0,0,0,0,0|2,0,0]=3 54 B6R1.2 [2H]N1C=CC=C1 D98995 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.1 BrCC1=CC(Br)=NO1 69283 [0,1,0,0,0,0|2,0,0]=3 56 B8R1.1 BrCC1=CC=C(Br)O1 55253 [0,1,0,0,0,0|1,0,0]=2 57 B8R1.1 BrCC1=CC=C(Br)S1 AC9027 [0,1,0,0,0,0|1,1,0]=3 58 B8R1.1 BrCC1=CSC(Br)=C1 AT16378 [0,1,0,0,0,0|3,0,0]=4 59 B8R1.1 BrCC1=CSC(Br)=N1 AT14625 [0,1,0,0,0,0|3,0,0]=4 60 B8R1.1 BrCC1=NC(Br)=CS1 82078 [0,1,0,0,0,0|2,1,0]=4 61 B8R1.1 BrCC1=NC=C(Br)S1 AT14726 [0,1,0,0,0,0|2,1,0]=4 62 B8R1.1 C#CC1=CC=C(Cl)S1 C14710 [0,1,0,0,0,0|0,1,2]=4 63 B8R1.1 CC1=CC(CCl)=NN1 AT15945 [0,1,0,0,0,0|3,0,0]=4 64 B8R1.1 CC1=CC(CN)=CO1 AT17525 [0,1,0,0,0,0|3,0,0]=4 65 B8R1.1 CC1=CC(CO)=CO1 AT17479 [0,1,0,0,0,0|3,0,0]=4 66 B8R1.1 CC1=CC(CO)=CS1 AT16765 [0,1,0,0,0,0|3,0,0]=4 67 B8R1.1 CC1=CC(CO)=NN1 O10131 [0,1,0,0,0,0|3,0,0]=4 68 B8R1.1 CC1=CC(CO)=NS1 AT21126 [0,1,0,0,0,0|3,0,0]=4 69 B8R1.1 CC1=CN=C(C=O)O1 AT17128 [0,1,0,0,0,0|2,0,1]=4 70 B8R1.1 CC1=CN=C(CCl)O1 AT18576 [0,1,0,0,0,0|2,0,0]=3 71 B8R1.1 CC1=CN=C(CN)O1 P18975 [0,1,0,0,0,0|2,0,0]=3 72 B8R1.1 CC1=CN=C(CN)S1 32702 [0,1,0,0,0,0|2,1,0]=4 73 B8R1.1 CC1=CN=C(CO)N1 P12877 [0,1,0,0,0,0|3,0,0]=4 74 B8R1.1 CC1=CN=C(CO)O1 AT18512 [0,1,0,0,0,0|2,0,0]=3 75 B8R1.1 CC1=COC(C#N)=C1 AT17407 [0,1,0,0,0,0|1,0,1]=3 76 B8R1.1 CC1=COC(CO)=C1 AT17124 [0,1,0,0,0,0|1,0,0]=2 77 B8R1.1 CC1=NC(CCl)=CN1 AT15569 [0,1,0,0,0,0|3,0,0]=4 78 B8R1.1 CC1=NC(CN)=CN1 AT15472 [0,1,0,0,0,0|3,0,0]=4 79 B8R1.1 CC1=NC(CN)=CO1 C71257 [0,1,0,0,0,0|3,0,0]=4 80 B8R1.1 CC1=NC(CN)=CO1 D83900 [0,1,0,0,0,0|3,0,0]=4 81 B8R1.1 CC1=NC(CN)=CS1 D86402 [0,1,0,0,0,0|3,0,0]=4 82 B8R1.1 CC1=NC=C(CCl)O1 C77476 [0,1,0,0,0,0|2,0,0]=3 83 B8R1.1 CC1=NC=C(CCl)S1 AT15077 [0,1,0,0,0,0|2,1,0]=4 84 B8R1.1 CC1=NC=C(CO)N1 W10507 [0,1,0,0,0,0|3,0,0]=4 85 B8R1.1 CC1=NC=C(CO)O1 F12980 [0,1,0,0,0,0|2,0,0]=3 86 B8R1.1 CC1=NN=C(CBr)O1 AT18780 [0,1,0,0,0,0|3,0,0]=4 87 B8R1.1 CC1=NNC(CN)=C1 AC1083 [0,1,0,0,0,0|3,0,0]=4 88 B8R1.1 CC1=NOC(CN)=C1 A10590 [0,1,0,0,0,0|2,0,0]=3 89 B8R1.1 CC1=NSC(CN)=C1 AT21220 [0,1,0,0,0,0|2,1,0]=4 90 B8R1.1 CCC1=CC=C(S)S1 AT16555 [0,1,0,0,0,0|0,1,0]=2 91 B8R1.1 CCC1=CN=C(Br)S1 56511 [0,1,0,0,0,0|1,1,0]=3 92 B8R1.1 CCC1=CN=C(S)S1 E72343 [0,1,0,0,0,0|1,1,0]=3 93 B8R1.1 CCC1=CSC(Br)=N1 32166 [0,1,0,0,0,0|2,0,0]=3 94 B8R1.1 CCC1=NC(Br)=CN1 AT15316 [0,1,0,0,0,0|2,0,0]=3 95 B8R1.1 CCC1=NC(Br)=NO1 AT25810 [0,1,0,0,0,0|2,0,0]=3 96 B8R1.1 CCC1=NN(C)C=C1 C91459 [0,1,0,0,0,0|2,0,0]=3 97 B8R1.1 CCC1=NN=C(Br)N1 AT12502 [0,1,0,0,0,0|3,0,0]=4 98 B8R1.1 CCC1=NN=C(Br)O1 AT16432 [0,1,0,0,0,0|2,0,0]=3 99 B8R1.1 CCC1=NN=C(Br)S1 AT18854 [0,1,0,0,0,0|2,1,0]=4 100 B8R1.1 CCC1=NN=C(Cl)N1 AT12315 [0,1,0,0,0,0|3,0,0]=4 101 B8R1.1 CCC1=NN=C(Cl)O1 AT18833 [0,1,0,0,0,0|2,0,0]=3 102 B8R1.1 CCC1=NN=C(Cl)S1 AT18983 [0,1,0,0,0,0|2,1,0]=4 103 B8R1.1 CCC1=NN=C(N)N1 AT12223 [0,1,0,0,0,0|3,0,0]=4 104 B8R1.1 CCC1=NN=C(N)O1 VT1414 [0,1,0,0,0,0|2,0,0]=3 105 B8R1.1 CCC1=NN=C(O)O1 AT18768 [0,1,0,0,0,0|2,0,0]=3 106 B8R1.1 CCC1=NN=C(S)S1 AT18942 [0,1,0,0,0,0|2,1,0]=4 107 B8R1.1 CCC1=NSC(Br)=N1 AT11967 [0,1,0,0,0,0|3,0,0]=4 108 B8R1.1 CCN1C=C(I)C=N1 77861 [0,1,0,0,0,0|2,0,0]=3 109 B8R1.1 CCN1C=CC(Br)=N1 AT15804 [0,1,0,0,0,0|2,0,0]=3 110 B8R1.1 CCN1C=CC(Cl)=N1 E72194 [0,1,0,0,0,0|2,0,0]=3 111 B8R1.1 CCN1C=CC(O)=N1 AT14005 [0,1,0,0,0,0|2,0,0]=3 112 B8R1.1 CCN1C=NC(Br)=N1 AT11956 [0,1,0,0,0,0|3,0,0]=4 113 B8R1.1 CCN1C=NC(I)=C1 S10075 [0,1,0,0,0,0|3,0,0]=4 114 B8R1.1 CCN1C=NC(N)=N1 AT11934 [0,1,0,0,0,0|3,0,0]=4 115 B8R1.1 CCN1C=NC(N)=N1 AT11937 [0,1,0,0,0,0|3,0,0]=4 116 B8R1.1 CCN1N=CC(N)=N1 AT11960 [0,1,0,0,0,0|3,0,0]=4 117 B8R1.1 CN1C=CC(CBr)=N1 AT15924 [0,1,0,0,0,0|3,0,0]=4 118 B8R1.1 CN1C=CC(CCl)=N1 AT15950 [0,1,0,0,0,0|3,0,0]=4 119 B8R1.1 CN1C=CC(CN)=C1 AT16243 [0,1,0,0,0,0|3,0,0]=4 120 B8R1.1 CN1C=NC(CBr)=C1 O11081 [0,1,0,0,0,0|3,0,0]=4 121 B8R1.1 CNC1=NC=C(Br)S1 AT14732 [0,1,0,0,0,0|2,1,0]=4 122 B8R1.1 CNC1=NN(C)C=C1 AT14076 [0,1,0,0,0,0|3,0,0]=4 123 B8R1.1 CNC1=NNC(Br)=C1 57327 [0,1,0,0,0,0|3,0,0]=4 124 B8R1.1 CNC1=NNC(C)=C1 57298 [0,1,0,0,0,0|3,0,0]=4 125 B8R1.1 CNC1=NOC(C)=C1 AT19802 [0,1,0,0,0,0|3,0,0]=4 126 B8R1.1 COC1=CC(N)=NN1 76300 [0,1,0,0,0,0|3,0,0]=4 127 B8R1.1 COC1=CC=C(Br)S1 N10622 [0,1,0,0,0,0|1,1,0]=3 128 B8R1.1 COC1=CSC(Br)=N1 AT14677 [0,1,0,0,0,0|3,0,0]=4 129 B8R1.1 COC1=NN(C)C=C1 AT24917 [0,1,0,0,0,0|3,0,0]=4 130 B8R1.1 COC1=NNC(Br)=C1 P13052 [0,1,0,0,0,0|3,0,0]=4 131 B8R1.1 COC1=NNC(C)=C1 E71889 [0,1,0,0,0,0|3,0,0]=4 132 B8R1.1 ClC1=CC(CBr)=CS1 AT16579 [0,1,0,0,0,0|3,0,0]=4 133 B8R1.1 ClC1=CC=C(CBr)S1 AT16577 [0,1,0,0,0,0|1,1,0]=3 134 B8R1.1 ClC1=NC(CBr)=CS1 AT15272 [0,1,0,0,0,0|3,0,0]=4 135 B8R1.1 ClC1=NC=C(CI)S1 AC9205 [0,1,0,0,0,0|2,1,0]=4 136 B8R1.1 ClCC1=CC(Br)=CS1 F30091 [0,1,0,0,0,0|1,1,0]=3 137 B8R1.1 ClCC1=CC(Br)=NO1 69282 [0,1,0,0,0,0|2,0,0]=3 138 B8R1.1 ClCC1=CC=C(Br)S1 AT16373 [0,1,0,0,0,0|1,1,0]=3 139 B8R1.1 ClCC1=CSC(Br)=C1 AT16374 [0,1,0,0,0,0|3,0,0]=4 140 B8R1.1 ClCC1=NC(Cl)=CS1 AT15212 [0,1,0,0,0,0|2,1,0]=4 141 B8R1.1 ClCC1=NC=C(Br)S1 AT14714 [0,1,0,0,0,0|2,1,0]=4 142 B8R1.1 ClCC1=NC=C(Cl)S1 AT15029 [0,1,0,0,0,0|2,1,0]=4 143 B8R1.1 N#CC1=CC=C(Cl)O1 AT17409 [0,1,0,0,0,0|1,0,1]=3 144 B8R1.1 NC1=NC(CCl)=CS1 37206 [0,1,0,0,0,0|3,0,0]=4 145 B8R1.1 NC1=NN=C(CCl)O1 D73977 [0,1,0,0,0,0|3,0,0]=4 146 B8R1.1 NCC1=CC(Br)=CN1 AT16225 [0,1,0,0,0,0|2,0,0]=3 147 B8R1.1 NCC1=CC(Br)=NO1 25297 [0,1,0,0,0,0|2,0,0]=3 148 B8R1.1 NCC1=CC(Br)=NO1 69284 [0,1,0,0,0,0|2,0,0]=3 149 B8R1.1 NCC1=CC(Cl)=CO1 50492 [0,1,0,0,0,0|1,0,0]=2 150 B8R1.1 NCC1=CC=C(Br)O1 79914 [0,1,0,0,0,0|1,0,0]=2 151 B8R1.1 NCC1=CC=C(Br)O1 94512 [0,1,0,0,0,0|1,0,0]=2 152 B8R1.1 NCC1=CC=C(Cl)S1 P19111 [0,1,0,0,0,0|1,1,0]=3 153 B8R1.1 NCC1=CSC(Br)=C1 AT16376 [0,1,0,0,0,0|3,0,0]=4 154 B8R1.1 NCC1=CSC(Br)=N1 AT14626 [0,1,0,0,0,0|3,0,0]=4 155 B8R1.1 NCC1=CSC(Cl)=N1 AT14764 [0,1,0,0,0,0|3,0,0]=4 156 B8R1.1 NCC1=NC(Cl)=CS1 AT15205 [0,1,0,0,0,0|2,1,0]=4 157 B8R1.1 NCC1=NC=C(Br)S1 P12853 [0,1,0,0,0,0|2,1,0]=4 158 B8R1.1 NCC1=NC=C(Cl)S1 P11510 [0,1,0,0,0,0|2,1,0]=4 159 B8R1.1 NCC1=NNC(=S)O1 AT18831 [0,1,0,0,0,0|3,0,0]=4 160 B8R1.1 O=C1C=C[C@H](CO)O1 A51108 [0,1,0,0,0,0|1,0,1]=3 161 B8R1.1 O=CC1=CC(Cl)=CO1 50491 [0,1,0,0,0,0|1,0,1]=3 162 B8R1.1 O=CC1=CC(Cl)=CS1 P11080 [0,1,0,0,0,0|1,1,1]=4 163 B8R1.1 OCC1=CC(Cl)=CS1 37631 [0,1,0,0,0,0|1,1,0]=3 164 B8R1.1 OCC1=COC(Cl)=N1 P10563 [0,1,0,0,0,0|3,0,0]=4 165 B8R1.1 OCC1=CSC(Br)=C1 AT16369 [0,1,0,0,0,0|3,0,0]=4 166 B8R1.1 OCC1=CSC(F)=N1 AT14869 [0,1,0,0,0,0|3,0,0]=4 167 B8R1.1 OCC1=NC=C(Br)N1 P17528 [0,1,0,0,0,0|3,0,0]=4 168 B8R1.1 OCC1=NNC(O)=C1 C90528 [0,1,0,0,0,0|3,0,0]=4 169 B8R1.7 C=C(C)C1=NC=CS1 T71747 [0,1,0,0,0,0|1,1,1]=4 170 B8R1.7 CC(=O)C1=CN=CO1 F19037 [0,1,0,0,0,0|1,0,1]=3 171 B8R1.7 CC(=O)C1=COC=N1 AT18593 [0,1,0,0,0,0|2,0,1]=4 172 B8R1.7 CC(C)C1=NN=CN1 AT12319 [0,1,0,0,0,0|3,0,0]=4 173 B8R1.7 C[C@H](N)C1=CC=CO1 74860 [0,1,0,0,0,0|0,0,0]=1 174 B8R1.7 C[C@H](N)C1=CC=CO1 F16901 [0,1,0,0,0,0|0,0,0]=1 175 B8R1.7 C[C@H](N)C1=CC=CO1 N12744 [0,1,0,0,0,0|0,0,0]=1 176 B8R1.7 C[C@H](N)C1=CN=CN1 D71963 [0,1,0,0,0,0|2,0,0]=3 177 B8R1.7 C[C@H](N)C1=CN=CS1 AT14771 [0,1,0,0,0,0|1,1,0]=3 178 B8R1.7 C[C@H](N)C1=CN=CS1 AT14772 [0,1,0,0,0,0|1,1,0]=3 179 B8R1.7 C[C@H](N)C1=COC=C1 AT17538 [0,1,0,0,0,0|2,0,0]=3 180 B8R1.7 C[C@H](N)C1=COC=C1 N16718 [0,1,0,0,0,0|2,0,0]=3 181 B8R1.7 C[C@H](N)C1=CSC=C1 27875 [0,1,0,0,0,0|2,0,0]=3 182 B8R1.7 C[C@H](N)C1=CSC=N1 AT12534 [0,1,0,0,0,0|2,0,0]=3 183 B8R1.7 C[C@H](N)C1=CSC=N1 N14692 [0,1,0,0,0,0|2,0,0]=3 184 B8R1.7 C[C@H](N)C1=CSC=N1 N14693 [0,1,0,0,0,0|2,0,0]=3 185 B8R1.7 C[C@H](N)C1=NC=CN1 AT15627 [0,1,0,0,0,0|2,0,0]=3 186 B8R1.7 C[C@H](N)C1=NC=CN1 AT15630 [0,1,0,0,0,0|2,0,0]=3 187 B8R1.7 C[C@H](N)C1=NC=CN1 W10071 [0,1,0,0,0,0|2,0,0]=3 188 B8R1.7 C[C@H](N)C1=NC=CS1 AT14699 [0,1,0,0,0,0|1,1,0]=3 189 B8R1.7 C[C@H](N)C1=NC=NN1 AT10973 [0,1,0,0,0,0|3,0,0]=4 190 B8R1.7 C[C@H](N)C1=NN=CN1 D75137 [0,1,0,0,0,0|3,0,0]=4 191 B8R1.7 C[C@H](N)C1=NNC=C1 32104 [0,1,0,0,0,0|2,0,0]=3 192 B8R1.7 C[C@H](N)C1=NNC=N1 AC8934 [0,1,0,0,0,0|3,0,0]=4 193 B8R1.7 C[C@H](O)C1=CC=CS1 71923 [0,1,0,0,0,0|0,1,0]=2 194 B8R1.7 C[C@H](O)C1=CC=CS1 AT16382 [0,1,0,0,0,0|0,1,0]=2 195 B8R1.7 C[C@H](O)C1=CC=CS1 AT16384 [0,1,0,0,0,0|0,1,0]=2 196 B8R1.7 C[C@H](O)C1=CN=CS1 AT14775 [0,1,0,0,0,0|1,1,0]=3 197 B8R1.7 C[C@H](O)C1=CN=CS1 AT14778 [0,1,0,0,0,0|1,1,0]=3 198 B8R1.7 C[C@H](O)C1=CN=CS1 AT14782 [0,1,0,0,0,0|1,1,0]=3 199 B8R1.7 C[C@H](O)C1=COC=C1 AT17475 [0,1,0,0,0,0|2,0,0]=3 200 B8R1.7 C[C@H](O)C1=COC=C1 AT17477 [0,1,0,0,0,0|2,0,0]=3 201 B8R1.7 C[C@H](O)C1=COC=N1 F13182 [0,1,0,0,0,0|2,0,0]=3 202 B8R1.7 C[C@H](O)C1=CSC=N1 AT14859 [0,1,0,0,0,0|2,0,0]=3 203 B8R1.7 C[C@H](O)C1=NC=CN1 AT15608 [0,1,0,0,0,0|2,0,0]=3 204 B8R1.7 C[C@H](O)C1=NC=CS1 AT14682 [0,1,0,0,0,0|1,1,0]=3 205 B8R1.7 C[C@H](O)C1=NC=CS1 AT14685 [0,1,0,0,0,0|1,1,0]=3 206 B8R1.7 C[C@H](O)C1=NN=CN1 AT21384 [0,1,0,0,0,0|3,0,0]=4 207 B8R1.7 C[C@H](O)C1=NNC=C1 AT15830 [0,1,0,0,0,0|2,0,0]=3 208 B8R1.7 C[C@H](O)C1=NNC=C1 AT15831 [0,1,0,0,0,0|2,0,0]=3 209 B8R1.7 C[C@H](O)C1=NNC=C1 AT15832 [0,1,0,0,0,0|2,0,0]=3 210 B8R1.7 FC(F)N1C=CC=N1 AT12045 [0,1,0,0,0,0|3,0,0]=4 211 B8R1.7 N=C(N)C1=CC=CN1 F18689 [0,1,0,0,0,0|2,0,1]=4 212 B8R1.7 NC(=S)C1=CC=CO1 F11945 [0,1,0,0,0,0|1,0,1]=3 213 B8R1.7 O=C([O-])C1=NC=CO1 AT18513 [0,1,0,0,0,0|2,0,1]=4 214 B8R1.7 O=[S@](O)C1=CC=CS1 AT16558 [0,1,0,0,0,0|2,1,0]=4 215 B8R1.8 BrCCC1=CC=CS1 F20027 [0,1,0,0,0,0|0,1,0]=2 216 B8R1.8 BrCCC1=CNN=C1 F14413 [0,1,0,0,0,0|3,0,0]=4 217 B8R1.8 BrCCN1C=NC=N1 AC6818 [0,1,0,0,0,0|3,0,0]=4 218 B8R1.8 BrCCN1C=NC=N1 AT12109 [0,1,0,0,0,0|3,0,0]=4 219 B8R1.8 CCCC1=NCCO1 T72500 [0,1,0,0,0,0|1,0,2]=4 220 B8R1.8 CCNC1=NC=NN1 AT21327 [0,1,0,0,0,0|3,0,0]=4 221 B8R1.8 CCNC1=NN=CO1 AT18792 [0,1,0,0,0,0|2,0,0]=3 222 B8R1.8 CNCC1=CC=NN1 27042 [0,1,0,0,0,0|2,0,0]=3 223 B8R1.8 CNCC1=CC=NN1 AT10969 [0,1,0,0,0,0|2,0,0]=3 224 B8R1.8 CNCC1=CN=CS1 71400 [0,1,0,0,0,0|1,1,0]=3 225 B8R1.8 CNCC1=CSC=C1 AT16803 [0,1,0,0,0,0|2,0,0]=3 226 B8R1.8 CNCC1=CSC=N1 AT10976 [0,1,0,0,0,0|2,0,0]=3 227 B8R1.8 CNCC1=CSC=N1 AT14743 [0,1,0,0,0,0|2,0,0]=3 228 B8R1.8 CNCC1=NC=CN1 W10149 [0,1,0,0,0,0|2,0,0]=3 229 B8R1.8 CNCC1=NC=CS1 AT10974 [0,1,0,0,0,0|1,1,0]=3 230 B8R1.8 CNCC1=NNC=C1 F31265 [0,1,0,0,0,0|2,0,0]=3 231 B8R1.8 CNCC1=NOC=C1 AT10962 [0,1,0,0,0,0|2,0,0]=3 232 B8R1.8 COCC1=NC=CN1 P10070 [0,1,0,0,0,0|2,0,0]=3 233 B8R1.8 COCC1=NNC=N1 AT12266 [0,1,0,0,0,0|3,0,0]=4 234 B8R1.8 ClCCC1=CNC=N1 D82567 [0,1,0,0,0,0|2,0,0]=3 235 B8R1.8 ClCCC1=CNN=C1 AC2763 [0,1,0,0,0,0|3,0,0]=4 236 B8R1.8 N#CCC1=CC=NO1 AC6956 [0,1,0,0,0,0|1,0,1]=3 237 B8R1.8 N#CCC1=CN=CS1 97777 [0,1,0,0,0,0|1,1,1]=4 238 B8R1.8 N#CCC1=NC=CN1 F17294 [0,1,0,0,0,0|2,0,1]=4 239 B8R1.8 N#CCN1C=CC=C1 F50604 [0,1,0,0,0,0|2,0,1]=4 240 B8R1.8 NCCC1=CN=CN1 S10979 [0,1,0,0,0,0|2,0,0]=3 241 B8R1.8 NCCC1=CNN=C1 AC1363 [0,1,0,0,0,0|3,0,0]=4 242 B8R1.8 NCCC1=CNN=C1 D85886 [0,1,0,0,0,0|3,0,0]=4 243 B8R1.8 NCCC1=COC=N1 AT18667 [0,1,0,0,0,0|2,0,0]=3 244 B8R1.8 NCCC1=NC=CS1 F51904 [0,1,0,0,0,0|1,1,0]=3 245 B8R1.8 NCCC1=NNC=C1 AC2815 [0,1,0,0,0,0|2,0,0]=3 246 B8R1.8 NCCN1C=CC=N1 AT10968 [0,1,0,0,0,0|2,0,0]=3 247 B8R1.8 NCCN1C=CN=N1 C90622 [0,1,0,0,0,0|3,0,0]=4 248 B8R1.8 NNCC1=CC=CS1 P10519 [0,1,0,0,0,0|1,1,0]=3 249 B8R1.8 NNCC1=CSC=C1 P10771 [0,1,0,0,0,0|3,0,0]=4 250 B8R1.8 O=CCC1=CC=CS1 O10539 [0,1,0,0,0,0|0,1,1]=3 251 B8R1.8 O=CCC1=NC=CS1 D88143 [0,1,0,0,0,0|1,1,1]=4 252 B8R1.8 O=CCC1=NN=CO1 W10330 [0,1,0,0,0,0|2,0,1]=4 253 B8R1.8 OCCN1C=CN=N1 N16844 [0,1,0,0,0,0|3,0,0]=4 254 B8R1.11 BrCC1=CSC=C1Br 88259 [0,1,0,0,0,0|3,0,0]=4 255 B8R1.11 CC1=C(CBr)SC=N1 AT24615 [0,1,0,0,0,0|2,1,0]=4 256 B8R1.11 CC1=C(CCl)N=CS1 AT15300 [0,1,0,0,0,0|3,0,0]=4 257 B8R1.11 CC1=C(CCl)OC=N1 C11081 [0,1,0,0,0,0|2,0,0]=3 258 B8R1.11 CC1=C(CCl)SC=N1 74336 [0,1,0,0,0,0|2,1,0]=4 259 B8R1.11 CC1=C(CCl)SC=N1 AT15073 [0,1,0,0,0,0|2,1,0]=4 260 B8R1.11 CC1=C(CN)C=CO1 AT17524 [0,1,0,0,0,0|3,0,0]=4 261 B8R1.11 CC1=C(CN)C=CO1 AT17541 [0,1,0,0,0,0|3,0,0]=4 262 B8R1.11 CC1=C(CN)C=CS1 AT16801 [0,1,0,0,0,0|3,0,0]=4 263 B8R1.11 CC1=C(CN)N=CN1 AT15470 [0,1,0,0,0,0|3,0,0]=4 264 B8R1.11 CC1=C(CN)N=CO1 AT18605 [0,1,0,0,0,0|3,0,0]=4 265 B8R1.11 CC1=C(CN)NC=N1 F19544 [0,1,0,0,0,0|3,0,0]=4 266 B8R1.11 CC1=C(CN)OC=C1 AT17196 [0,1,0,0,0,0|1,0,0]=2 267 B8R1.11 CC1=C(CN)OC=N1 AT18687 [0,1,0,0,0,0|2,0,0]=3 268 B8R1.11 CC1=C(CN)SC=C1 71361 [0,1,0,0,0,0|1,1,0]=3 269 B8R1.11 CC1=C(CO)N=CS1 AT21447 [0,1,0,0,0,0|3,0,0]=4 270 B8R1.11 CC1=C(CO)ON=C1 A51017 [0,1,0,0,0,0|2,0,0]=3 271 B8R1.11 CC1=C(CO)SC=N1 74180 [0,1,0,0,0,0|2,1,0]=4 272 B8R1.11 CC1=CNN=C1CCl AT15943 [0,1,0,0,0,0|3,0,0]=4 273 B8R1.11 CC1=CON=C1CO 95084 [0,1,0,0,0,0|3,0,0]=4 274 B8R1.11 CC1=CSC=C1CN AT16790 [0,1,0,0,0,0|3,0,0]=4 275 B8R1.11 CCC1=C(N)C=NO1 AT19807 [0,1,0,0,0,0|1,0,0]=2 276 B8R1.11 CCC1=C(N)ON=C1 AT19811 [0,1,0,0,0,0|3,0,0]=4 277 B8R1.11 CCC1=C(N)SC=N1 W15853 [0,1,0,0,0,0|2,0,0]=3 278 B8R1.11 CCC1=CNN=C1N 24047 [0,1,0,0,0,0|3,0,0]=4 279 B8R1.11 CCC1=NNC=C1I I11378 [0,1,0,0,0,0|2,0,0]=3 280 B8R1.11 CCC1=NNC=C1N AT14204 [0,1,0,0,0,0|2,0,0]=3 281 B8R1.11 CCN1C=CN=C1C F16031 [0,1,0,0,0,0|3,0,0]=4 282 B8R1.11 CCN1C=CN=C1N AT15605 [0,1,0,0,0,0|3,0,0]=4 283 B8R1.11 CCN1N=CC=C1Br F17300 [0,1,0,0,0,0|2,0,0]=3 284 B8R1.11 CCN1N=CC=C1Cl AT15849 [0,1,0,0,0,0|2,0,0]=3 285 B8R1.11 CCN1N=CC=C1O AT14056 [0,1,0,0,0,0|2,0,0]=3 286 B8R1.11 CCN1N=CN=C1N AT12360 [0,1,0,0,0,0|3,0,0]=4 287 B8R1.11 CCN1N=CN=C1N AT12361 [0,1,0,0,0,0|3,0,0]=4 288 B8R1.11 CN1C=CN=C1CBr AT15680 [0,1,0,0,0,0|3,0,0]=4 289 B8R1.11 CN1C=CN=C1CN AT15625 [0,1,0,0,0,0|3,0,0]=4 290 B8R1.11 CN1C=NC=C1CBr O11296 [0,1,0,0,0,0|3,0,0]=4 291 B8R1.11 CN1C=NC=C1CCl 94781 [0,1,0,0,0,0|3,0,0]=4 292 B8R1.11 CN1N=CC=C1CBr AT15925 [0,1,0,0,0,0|3,0,0]=4 293 B8R1.11 CNC1=CC=NN1C AT14117 [0,1,0,0,0,0|3,0,0]=4 294 B8R1.11 CNC1=CN=CN1C 98139 [0,1,0,0,0,0|3,0,0]=4 295 B8R1.11 CNC1=NC=CN1C AT15602 [0,1,0,0,0,0|3,0,0]=4 296 B8R1.11 CNC1=NNC=C1C 57305 [0,1,0,0,0,0|3,0,0]=4 297 B8R1.11 COC1=C(Br)C=CS1 AT16340 [0,1,0,0,0,0|1,1,0]=3 298 B8R1.11 COC1=C(Br)SC=N1 AT14705 [0,1,0,0,0,0|3,0,0]=4 299 B8R1.11 COC1=C(C)C=CS1 91670 [0,1,0,0,0,0|1,1,0]=3 300 B8R1.11 C[S@H]1C=CC=C1CN AT17306 [0,1,0,0,0,0|1,1,0]=3 301 B8R1.11 ClC1=C(CBr)SC=N1 AT15037 [0,1,0,0,0,0|2,1,0]=4 302 B8R1.11 ClCC1=C(Br)C=CS1 AT16718 [0,1,0,0,0,0|1,1,0]=3 303 B8R1.11 ClCC1=C(Br)SC=N1 AT14723 [0,1,0,0,0,0|3,0,0]=4 304 B8R1.11 ClCC1=C(Cl)C=CS1 AT16716 [0,1,0,0,0,0|1,1,0]=3 305 B8R1.11 ClCC1=C(Cl)SC=C1 AT17068 [0,1,0,0,0,0|3,0,0]=4 306 B8R1.11 N#CC1=C(Br)C=CO1 AT17437 [0,1,0,0,0,0|1,0,1]=3 307 B8R1.11 NC1=C(C=O)SC=C1 O10948 [0,1,0,0,0,0|1,1,1]=4 308 B8R1.11 NCC1=C(Br)C=CS1 P10346 [0,1,0,0,0,0|1,1,0]=3 309 B8R1.11 NCC1=CSC=C1Br AT16740 [0,1,0,0,0,0|3,0,0]=4 310 B8R1.11 NCC1=CSC=C1Cl AT16880 [0,1,0,0,0,0|3,0,0]=4 311 B8R1.11 O=CC1=C(I)C=CS1 AT16727 [0,1,0,0,0,0|1,1,1]=4 312 B8R1.11 OCC1=C(Br)C=NN1 58515 [0,1,0,0,0,0|3,0,0]=4 313 B8R1.11 OCC1=C(Cl)N=CS1 AT14780 [0,1,0,0,0,0|2,1,0]=4 314 B8R1.11 OCC1=C(Cl)SC=C1 AT16564 [0,1,0,0,0,0|3,0,0]=4 315 B8R1.11 OCC1=CSC=C1Br 88258 [0,1,0,0,0,0|3,0,0]=4 316 B8R1.11 OCC1=CSC=C1Cl AT16882 [0,1,0,0,0,0|3,0,0]=4 317 B6R0.1 C=CC[C@H](O)CN AT10905 [0,0,1,0,0,0|1,0,2]=4 318 B6R0.6 CCO\C=C\C=O F18326 [0,0,1,0,0,0|1,0,1]=3 319 B6R0.6 O=C\C=C\C=C\[O-] 98104 [0,0,1,0,0,0|1,0,2]=4 320 B8R1.2 BrCC1=CN=CN=C1 F52462 [0,0,0,0,0,1|3,0,0]=4 321 B8R1.2 BrCC1=NC=CC=N1 D79434 [0,0,0,0,0,1|2,0,0]=3 322 B8R1.2 C=CC1=CC=CN=C1 71366 [0,0,0,0,0,1|1,0,2]=4 323 B8R1.2 C=CC1=NC=CN=C1 T72447 [0,0,0,0,0,1|1,0,2]=4 324 B8R1.2 CNC1=CC=CN=N1 79165 [0,0,0,0,0,1|2,0,0]=3 325 B8R1.2 CSC1=NC=CC=N1 O10841 [0,0,0,0,0,1|2,0,0]=3 326 B8R1.2 ClCC1=NC=NC=C1 A10562 [0,0,0,0,0,1|2,0,0]=3 327 B8R1.2 NCC1=CC=CC=C1 T70846 [0,0,0,0,0,1|2,0,0]=3 328 B8R1.2 NC[C@H]1CCC=CO1 P10036 [0,0,0,0,0,1|1,0,2]=4 329 B8R1.2 NNC1=CC=CN=N1 C15759 [0,0,0,0,0,1|3,0,0]=4 330 B8R1.2 NNC1=NC=NC=C1 57488 [0,0,0,0,0,1|3,0,0]=4 331 B8R1.2 OCC1=CCCCO1 S11090 [0,0,0,0,0,1|1,0,2]=4 332 B8R1.2 SCC1=NC=CN=C1 78318 [0,0,0,0,0,1|2,0,0]=3 333 B8R1.2 [2H]OC1=CC=CC=C1 D99313 [0,0,0,0,0,1|3,0,0]=4 334 B5R0.1 C=CCC(=C)C T72918 [1,0,1,0,0,0|1,0,0]=3 335 B5R0.3 C=C(CC)CBr C77504 [1,0,1,0,0,0|1,0,1]=4 336 B5R0.3 C=C(CC)CC D90428 [1,0,1,0,0,0|0,0,2]=4 337 B5R1.1 C1=CNC=N1 AT25065 [2,0,0,0,0,0|2,0,0]=4 338 B5R1.1 C1=CNC=N1 T71525 [2,0,0,0,0,0|2,0,0]=4 339 B5R1.1 C1=CNC=N1 T72823 [2,0,0,0,0,0|2,0,0]=4 340 B7R0.2 CC\C(C)=C/C(=O)O 64163 [0,1,1,0,0,0|2,0,0]=4 341 B7R0.3 COC(=O)\C=C\C=O D90666 [0,1,1,0,0,0|1,0,1]=4 342 B7R0.7 CCOC(=O)\C=C\[O-] P10114 [0,1,1,0,0,0|1,0,1]=4 343 B7R0.1 C=CC\C=C\CCC T72633 [0,1,1,0,0,0|1,0,1]=4 344 B7R0.1 OCC\C=C\CCO AT19969 [0,1,1,0,0,0|0,0,2]=4 345 B7R0.4 CC\C=C/CC(=O)O F18341 [0,1,1,0,0,0|0,0,1]=3 346 B7R0.4 COC\C=C\C(=O)O P17072 [0,1,1,0,0,0|1,0,1]=4 347 B7R1.2 BrC1=CSC(I)=C1 F10349 [1,1,0,0,0,0|1,1,0]=4 348 B7R1.2 CC1=CC(Br)=CO1 I11460 [1,1,0,0,0,0|0,0,0]=2 349 B7R1.2 CC1=CC(N)=CS1 27442 [1,1,0,0,0,0|0,1,0]=3 350 B7R1.2 CC1=CC(N)=NS1 A51223 [1,1,0,0,0,0|1,1,0]=4 351 B7R1.2 CC1=CC=C(S)S1 AT16550 [1,1,0,0,0,0|0,1,0]=3 352 B7R1.2 CC1=CN=C(C)O1 AC5679 [1,1,0,0,0,0|1,0,0]=3 353 B7R1.2 CC1=CN=C(Cl)O1 AT18559 [1,1,0,0,0,0|1,0,0]=3 354 B7R1.2 CC1=CN=C(N)N1 27977 [1,1,0,0,0,0|2,0,0]=4 355 B7R1.2 CC1=COC(Br)=N1 AT18461 [1,1,0,0,0,0|2,0,0]=4 356 B7R1.2 CC1=COC(Cl)=N1 A51023 [1,1,0,0,0,0|2,0,0]=4 357 B7R1.2 CC1=CSC(N)=C1 N12877 [1,1,0,0,0,0|1,1,0]=4 358 B7R1.2 CC1=CSC(N)=C1 S11464 [1,1,0,0,0,0|1,1,0]=4 359 B7R1.2 CC1=CSC(S)=C1 AT16548 [1,1,0,0,0,0|1,1,0]=4 360 B7R1.2 CC1=NC(N)=CS1 AC2762 [1,1,0,0,0,0|1,1,0]=4 361 B7R1.2 CC1=NC=C(Br)O1 AT18670 [1,1,0,0,0,0|1,0,0]=3 362 B7R1.2 CC1=NC=C(Cl)S1 AT15021 [1,1,0,0,0,0|1,1,0]=4 363 B7R1.2 CC1=NC=C(N)S1 D85841 [1,1,0,0,0,0|1,1,0]=4 364 B7R1.2 CC1=NN=C(Cl)O1 AT18769 [1,1,0,0,0,0|2,0,0]=4 365 B7R1.2 CC1=NN=C(I)O1 AT18781 [1,1,0,0,0,0|2,0,0]=4 366 B7R1.2 CC1=NSC(I)=C1 W12926 [1,1,0,0,0,0|2,0,0]=4 367 B7R1.2 CC1=NSC(N)=C1 C77679 [1,1,0,0,0,0|2,0,0]=4 368 B7R1.2 CN1C=C(F)C=N1 D79458 [1,1,0,0,0,0|2,0,0]=4 369 B7R1.2 CN1C=CC(N)=C1 77871 [1,1,0,0,0,0|2,0,0]=4 370 B7R1.2 ClC1=CC=C(I)S1 C74472 [1,1,0,0,0,0|1,1,0]=4 371 B7R1.2 ClC1=CSC(Br)=C1 AT16371 [1,1,0,0,0,0|1,1,0]=4 372 B7R1.2 IC1=COC(I)=N1 D76854 [1,1,0,0,0,0|2,0,0]=4 373 B7R1.2 NC1=CC(N)=NO1 AT19796 [1,1,0,0,0,0|2,0,0]=4 374 B7R1.2 NC1=CC=C(Cl)S1 D87671 [1,1,0,0,0,0|1,1,0]=4 375 B7R1.2 NC1=CSC(Cl)=C1 38492 [1,1,0,0,0,0|1,1,0]=4 376 B7R1.2 NC1=CSC(Cl)=C1 P13129 [1,1,0,0,0,0|1,1,0]=4 377 B7R1.2 [2H]C1=CC=C([2H])S1 D99575 [1,1,0,0,0,0|1,1,0]=4 378 B7R1.4 BrC1=C(I)C=CS1 AT16380 [1,1,0,0,0,0|1,1,0]=4 379 B7R1.4 CC1=C(Br)C=NN1 O11185 [1,1,0,0,0,0|2,0,0]=4 380 B7R1.4 CC1=C(Br)OC=C1 F53471 [1,1,0,0,0,0|1,0,0]=3 381 B7R1.4 CC1=C(N)C=NO1 AT19805 [1,1,0,0,0,0|1,0,0]=3 382 B7R1.4 CC1=C(N)N=CN1 C15418 [1,1,0,0,0,0|2,0,0]=4 383 B7R1.4 CC1=C(S)C=CS1 A10974 [1,1,0,0,0,0|0,1,0]=3 384 B7R1.4 CC1=NNC=C1Cl AT10929 [1,1,0,0,0,0|2,0,0]=4 385 B7R1.4 CC1=NOC=C1N AT19806 [1,1,0,0,0,0|2,0,0]=4 386 B7R1.4 CN1N=CC=C1Cl AT15843 [1,1,0,0,0,0|2,0,0]=4 387 B7R1.4 NC1=C(Br)C=CS1 C16366 [1,1,0,0,0,0|1,1,0]=4 388 B7R1.4 NC1=C(Cl)SC=C1 AT16569 [1,1,0,0,0,0|1,1,0]=4 389 B9R1.1 BrCC1=NN=C(Br)C=C1 C73657 [0,1,0,0,0,1|2,0,0]=4 390 B9R1.1 CC1=CN=C(CBr)N=C1 95158 [0,1,0,0,0,1|2,0,0]=4 391 B9R1.1 CC1=CN=C(CCl)N=C1 P10954 [0,1,0,0,0,1|2,0,0]=4 392 B9R1.1 CC1=NC=C(CBr)C=C1 F52459 [0,1,0,0,0,1|2,0,0]=4 393 B9R1.1 CC1=NC=C(CCl)C=C1 D87733 [0,1,0,0,0,1|2,0,0]=4 394 B9R1.1 CCN1C=CC(=S)C=C1 W16146 [0,1,0,0,0,1|2,0,0]=4 395 B9R1.1 CNC1=CC=C(C)N=N1 AT18436 [0,1,0,0,0,1|2,0,0]=4 396 B9R1.1 CNC1=CC=C(N)C=C1 C78356 [0,1,0,0,0,1|2,0,0]=4 397 B9R1.1 CNC1=NC=C(Cl)C=N1 AT18415 [0,1,0,0,0,1|2,0,0]=4 398 B9R1.1 CNC1=NC=C(F)C=N1 AT18273 [0,1,0,0,0,1|2,0,0]=4 399 B9R1.1 CNC1=NC=C(N)C=C1 Y13586 [0,1,0,0,0,1|2,0,0]=4 400 B9R1.1 COC1=CN=C(I)C=C1 F17075 [0,1,0,0,0,1|2,0,0]=4 401 B9R1.1 COC1=CN=C(I)C=N1 D75305 [0,1,0,0,0,1|2,0,0]=4 402 B9R1.1 COC1=NNC(=O)C=C1 AT17771 [0,1,0,0,0,1|2,0,0]=4 403 B9R1.1 CSC1=NC=C(C)C=N1 E70474 [0,1,0,0,0,1|2,0,0]=4 404 B9R1.1 CSC1=NC=C(N)C=C1 D73901 [0,1,0,0,0,1|2,0,0]=4 405 B9R1.1 CSC1=NC=C(N)N=C1 92096 [0,1,0,0,0,1|2,0,0]=4 406 B9R1.1 CSC1=NN=C(Br)C=C1 AT17781 [0,1,0,0,0,1|2,0,0]=4 407 B9R1.1 C[Se]C1=CC=C(Br)C=C1 97865 [0,1,0,0,0,1|2,0,0]=4 408 B9R1.1 ClC1=CN=C(CBr)C=C1 S12201 [0,1,0,0,0,1|2,0,0]=4 409 B9R1.1 ClC1=CN=C(CBr)C=N1 95144 [0,1,0,0,0,1|2,0,0]=4 410 B9R1.1 ClCC1=CN=C(Cl)C=C1 W18630 [0,1,0,0,0,1|2,0,0]=4 411 B9R1.1 ClCC1=NC=C(Br)C=N1 P10957 [0,1,0,0,0,1|2,0,0]=4 412 B9R1.1 ClCC1=NC=C(Cl)C=N1 P10953 [0,1,0,0,0,1|2,0,0]=4 413 B9R1.1 FC1=CN=C(CCl)C=C1 P19178 [0,1,0,0,0,1|2,0,0]=4 414 B9R1.1 NC1=CN=C(CO)N=C1 D78843 [0,1,0,0,0,1|2,0,0]=4 415 B9R1.1 NC1=NC=C(CCl)C=C1 AT22351 [0,1,0,0,0,1|2,0,0]=4 416 B9R1.1 NC1=NN=C(CO)C=C1 AT17786 [0,1,0,0,0,1|2,0,0]=4 417 B9R1.1 NCC1=CC=C(F)C=C1 N12249 [0,1,0,0,0,1|2,0,0]=4 418 B9R1.1 NCC1=CC=C(S)C=C1 AT20992 [0,1,0,0,0,1|2,0,0]=4 419 B9R1.1 NCC1=CN=C(Br)C=N1 F30506 [0,1,0,0,0,1|2,0,0]=4 420 B9R1.1 NCC1=NC=C(F)C=C1 83593 [0,1,0,0,0,1|2,0,0]=4 421 B9R1.1 NCC1=NC=C(F)C=N1 W11735 [0,1,0,0,0,1|2,0,0]=4 422 B9R1.1 NCC1=NC=C(I)C=C1 C91084 [0,1,0,0,0,1|2,0,0]=4 423 B9R1.1 NCC1=NN=C(Cl)C=C1 D84868 [0,1,0,0,0,1|2,0,0]=4 424 B9R1.1 OCC1=NC=C(O)C=N1 72629 [0,1,0,0,0,1|2,0,0]=4 425 B9R1.1 OCC1=NN=C(Cl)C=C1 AT17814 [0,1,0,0,0,1|2,0,0]=4 426 B9R1.1 [2H]CC1=CC=C(F)C=C1 D98910 [0,1,0,0,0,1|2,0,0]=4 427 B9R1.2 CC1=CC(CBr)=CN=C1 43925 [0,1,0,0,0,1|2,0,0]=4 428 B9R1.2 CC1=CC(CCl)=NC=N1 F52607 [0,1,0,0,0,1|2,0,0]=4 429 B9R1.2 CC1=CC(CN)=NC=N1 AT18324 [0,1,0,0,0,1|2,0,0]=4 430 B9R1.2 CC1=CC=NC(CCl)=N1 P10964 [0,1,0,0,0,1|2,0,0]=4 431 B9R1.2 CC1=CC=NC(CN)=N1 P10960 [0,1,0,0,0,1|2,0,0]=4 432 B9R1.2 CC1=CN=CC(CCl)=N1 O10514 [0,1,0,0,0,1|2,0,0]=4 433 B9R1.2 CC1=CN=CC(CCl)=N1 Y10493 [0,1,0,0,0,1|2,0,0]=4 434 B9R1.2 CC1=CN=CC(CO)=N1 O10143 [0,1,0,0,0,1|2,0,0]=4 435 B9R1.2 CC1=CN=NC(CN)=C1 P13788 [0,1,0,0,0,1|2,0,0]=4 436 B9R1.2 CC1=NC=CC(CCl)=N1 F53395 [0,1,0,0,0,1|2,0,0]=4 437 B9R1.2 CC1=NC=CC(CN)=N1 F14224 [0,1,0,0,0,1|2,0,0]=4 438 B9R1.2 CCC1=CC(Cl)=NN=C1 S11387 [0,1,0,0,0,1|2,0,0]=4 439 B9R1.2 CCC1=NC=CC(Cl)=N1 W12562 [0,1,0,0,0,1|1,0,0]=3 440 B9R1.2 CNC1=CC(Br)=NC=N1 AT18306 [0,1,0,0,0,1|2,0,0]=4 441 B9R1.2 CNC1=NC=CC(N)=C1 F12690 [0,1,0,0,0,1|2,0,0]=4 442 B9R1.2 COC1=CC(O)=NC=C1 F17762 [0,1,0,0,0,1|2,0,0]=4 443 B9R1.2 COC1=CCC=C(C)C1 AC4015 [0,1,0,0,0,1|2,0,0]=4 444 B9R1.2 COC1=CN=CC(N)=C1 P11509 [0,1,0,0,0,1|2,0,0]=4 445 B9R1.2 CSC1=CC(Cl)=CN=C1 AT19857 [0,1,0,0,0,1|2,0,0]=4 446 B9R1.2 CSC1=CN=CC(Cl)=N1 AT24641 [0,1,0,0,0,1|2,0,0]=4 447 B9R1.2 CSC1=NC(N)=NC=C1 AT18329 [0,1,0,0,0,1|2,0,0]=4 448 B9R1.2 C\N=C1\C=C(C)C=CN1 W18359 [0,1,0,0,0,1|2,0,0]=4 449 B9R1.2 ClC1=NC=CC(CBr)=C1 C16429 [0,1,0,0,0,1|2,0,0]=4 450 B9R1.2 ClC1=NC=CC(CBr)=N1 F12213 [0,1,0,0,0,1|2,0,0]=4 451 B9R1.2 ClCC1=NC=CC(Cl)=C1 C13998 [0,1,0,0,0,1|2,0,0]=4 452 B9R1.2 FC1=CC(CCl)=CN=C1 O10881 [0,1,0,0,0,1|2,0,0]=4 453 B9R1.2 FCC1=CC(Cl)=NC=N1 82110 [0,1,0,0,0,1|2,0,0]=4 454 B9R1.2 NCC1=CC(=O)NC=C1 37540 [0,1,0,0,0,1|2,0,0]=4 455 B9R1.2 NCC1=CC(Br)=CN=C1 F19818 [0,1,0,0,0,1|2,0,0]=4 456 B9R1.2 NCC1=CC(F)=NC=C1 W18404 [0,1,0,0,0,1|2,0,0]=4 457 B9R1.2 NCC1=CC(N)=NC=C1 AC6477 [0,1,0,0,0,1|2,0,0]=4 458 B9R1.2 NCC1=CC=CC(Cl)=N1 C72946 [0,1,0,0,0,1|2,0,0]=4 459 B9R1.2 NCC1=CC=CC(I)=C1 CK2420 [0,1,0,0,0,1|2,0,0]=4 460 B9R1.2 NCC1=CC=CC(O)=N1 F10425 [0,1,0,0,0,1|2,0,0]=4 461 B9R1.2 NCC1=NC=CC(Br)=C1 26892 [0,1,0,0,0,1|2,0,0]=4 462 B9R1.2 NCC1=NC=CC(F)=C1 C71953 [0,1,0,0,0,1|2,0,0]=4 463 B9R1.2 NCC1=NC=CC(N)=C1 77886 [0,1,0,0,0,1|2,0,0]=4 464 B9R1.2 OCC1=CC(O)=NC=N1 59935 [0,1,0,0,0,1|2,0,0]=4 465 B9R1.2 [2H]CC1=CC=CC(F)=C1 D99661 [0,1,0,0,0,1|2,0,0]=4 466 B9R1.2 [O-][N+]1=CC=CC(CCl)=C1 96310 [0,1,0,0,0,1|2,0,0]=4 467 B9R1.6 CN(C)C1=NC=NC=C1 O12006 [0,1,0,0,0,1|2,0,0]=4 468 B9R1.6 C[C@H](Br)C1=NC=CN=C1 C77147 [0,1,0,0,0,1|1,0,0]=3 469 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13293 [0,1,0,0,0,1|1,0,0]=3 470 B9R1.6 C[C@H](N)C1=CC=CN=C1 S11132 [0,1,0,0,0,1|1,0,0]=3 471 B9R1.6 C[C@H](N)C1=CC=NC=C1 F31048 [0,1,0,0,0,1|1,0,0]=3 472 B9R1.6 C[C@H](N)C1=CN=CN=C1 P14618 [0,1,0,0,0,1|2,0,0]=4 473 B9R1.6 C[C@H](N)C1=NC=CC=C1 90514 [0,1,0,0,0,1|1,0,0]=3 474 B9R1.6 C[C@H](N)C1=NC=CC=N1 72045 [0,1,0,0,0,1|1,0,0]=3 475 B9R1.6 C[C@H](N)C1=NC=CN=C1 C93141 [0,1,0,0,0,1|1,0,0]=3 476 B9R1.6 C[C@H](N)C1=NC=CN=C1 C93144 [0,1,0,0,0,1|1,0,0]=3 477 B9R1.6 C[C@H](N)C1=NC=NC=C1 N10689 [0,1,0,0,0,1|1,0,0]=3 478 B9R1.6 C[C@H](N)C1=NC=NC=C1 P10880 [0,1,0,0,0,1|1,0,0]=3 479 B9R1.6 C[C@H](O)C1=NC=NC=C1 AT18318 [0,1,0,0,0,1|1,0,0]=3 480 B9R1.8 BrCCC1=CN=CC=C1 C77647 [0,1,0,0,0,1|1,0,0]=3 481 B9R1.8 CCCC1=CC=CN=C1 O11051 [0,1,0,0,0,1|1,0,0]=3 482 B9R1.8 CCC[N+]1=CC=CC=C1 T72121 [0,1,0,0,0,1|2,0,0]=4 483 B9R1.8 CCNC1=NC=CN=C1 C76036 [0,1,0,0,0,1|1,0,0]=3 484 B9R1.8 CNCC1=CN=CN=C1 38577 [0,1,0,0,0,1|2,0,0]=4 485 B9R1.8 CNCC1=NC=CC=N1 27199 [0,1,0,0,0,1|1,0,0]=3 486 B9R1.8 CNCC1=NC=CC=N1 72796 [0,1,0,0,0,1|1,0,0]=3 487 B9R1.8 CNCC1=NC=NC=C1 C14477 [0,1,0,0,0,1|1,0,0]=3 488 B9R1.8 CNNC1=CC=CC=C1 C77159 [0,1,0,0,0,1|2,0,0]=4 489 B9R1.8 FCCC1=CC=CC=C1 75534 [0,1,0,0,0,1|1,0,0]=3 490 B9R1.8 NCCC1=CC=CC=C1 T71816 [0,1,0,0,0,1|1,0,0]=3 491 B9R1.8 NCCC1=CC=CC=C1 T72591 [0,1,0,0,0,1|1,0,0]=3 492 B9R1.8 NCCC1=NC=CC=N1 83201 [0,1,0,0,0,1|1,0,0]=3 493 B9R1.8 NCCC1=NC=CC=N1 P10852 [0,1,0,0,0,1|1,0,0]=3 494 B9R1.8 NCCC1=NC=CN=C1 AT22557 [0,1,0,0,0,1|1,0,0]=3 495 B9R1.8 NCCC1=NC=NC=C1 P10950 [0,1,0,0,0,1|1,0,0]=3 496 B9R1.8 NNCC1=NC=CC=C1 P10521 [0,1,0,0,0,1|2,0,0]=4 497 B9R1.8 NNCC1=NC=CN=C1 D78817 [0,1,0,0,0,1|2,0,0]=4 498 B9R1.8 NNCC1=NC=CN=C1 P19174 [0,1,0,0,0,1|2,0,0]=4 499 B9R1.8 OCCC1=CC=NC=C1 T72404 [0,1,0,0,0,1|1,0,0]=3 500 B9R1.8 OCCC1=NN=CC=C1 D77083 [0,1,0,0,0,1|1,0,0]=3 501 B9R1.8 SCCC1=NC=CC=C1 F18309 [0,1,0,0,0,1|1,0,0]=3 502 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 AC8779 [0,1,0,0,0,1|1,0,1]=4 503 B9R1.8 [C-]#[N+]CC1=CN=CC=C1 F16136 [0,1,0,0,0,1|1,0,1]=4 504 B9R1.15 CC1=C(CBr)C=CC=N1 FD9046 [0,1,0,0,0,1|2,0,0]=4 505 B9R1.15 CC1=C(CBr)C=CC=N1 P11218 [0,1,0,0,0,1|2,0,0]=4 506 B9R1.15 CC1=C(CCl)C=CC=N1 P10970 [0,1,0,0,0,1|2,0,0]=4 507 B9R1.15 CC1=C(CCl)C=NC=C1 P10971 [0,1,0,0,0,1|2,0,0]=4 508 B9R1.15 CC1=CC=CN=C1CBr D97530 [0,1,0,0,0,1|2,0,0]=4 509 B9R1.15 CC1=NC=CN=C1CCl P17257 [0,1,0,0,0,1|2,0,0]=4 510 B9R1.15 CC1=NC=CN=C1CN 38702 [0,1,0,0,0,1|2,0,0]=4 511 B9R1.15 CCC1=C(Br)C=CN=C1 H11182 [0,1,0,0,0,1|1,0,0]=3 512 B9R1.15 CCC1=C(N)N=NC=C1 S11451 [0,1,0,0,0,1|2,0,0]=4 513 B9R1.15 CCC1=CC=CN=C1C 75814 [0,1,0,0,0,1|1,0,0]=3 514 B9R1.15 CCC1=CN=CN=C1O C15413 [0,1,0,0,0,1|2,0,0]=4 515 B9R1.15 CNC1=C(F)C=NC=N1 AT18309 [0,1,0,0,0,1|2,0,0]=4 516 B9R1.15 CNC1=C(I)C=NC=N1 AT18314 [0,1,0,0,0,1|2,0,0]=4 517 B9R1.15 COC1=C(Br)C=CN=C1 F10479 [0,1,0,0,0,1|2,0,0]=4 518 B9R1.15 COC1=C(C)C=NC=C1 D74380 [0,1,0,0,0,1|2,0,0]=4 519 B9R1.15 ClC1=CC=CN=C1CBr 79180 [0,1,0,0,0,1|2,0,0]=4 520 B9R1.15 ClC1=CC=CN=C1CBr 86640 [0,1,0,0,0,1|2,0,0]=4 521 B9R1.15 ClCC1=CC=CN=C1Br 55187 [0,1,0,0,0,1|2,0,0]=4 522 B9R1.15 FC1=C(CBr)C=CC=N1 AT20654 [0,1,0,0,0,1|2,0,0]=4 523 B9R1.15 NC1=C(CCl)C=CC=N1 89794 [0,1,0,0,0,1|2,0,0]=4 524 B9R1.15 NCC1=C(Br)C=NC=C1 98160 [0,1,0,0,0,1|2,0,0]=4 525 B9R1.15 NCC1=C(Cl)C=CN=C1 C11073 [0,1,0,0,0,1|2,0,0]=4 526 B9R1.15 NCC1=C(F)C=CN=C1 C90218 [0,1,0,0,0,1|2,0,0]=4 527 B9R1.15 NCC1=C(I)C=CC=C1 AT26620 [0,1,0,0,0,1|2,0,0]=4 528 B9R1.15 NCC1=C(O)C=CC=N1 C73700 [0,1,0,0,0,1|2,0,0]=4 529 B9R1.15 NCC1=C(O)C=CN=C1 AT18117 [0,1,0,0,0,1|2,0,0]=4 530 B9R1.15 NCC1=CC=CN=C1Cl 37571 [0,1,0,0,0,1|2,0,0]=4 531 B9R1.15 NCC1=CC=CN=C1N CL0345 [0,1,0,0,0,1|2,0,0]=4 532 B9R1.15 NCC1=[N+]([O-])C=CC=C1 D86206 [0,1,0,0,0,1|2,0,0]=4 533 B9R1.15 OCC1=C(F)C=CN=C1 P11878 [0,1,0,0,0,1|2,0,0]=4 534 B9R1.15 [2H]CC1=C(F)C=CC=C1 D99779 [0,1,0,0,0,1|2,0,0]=4 535 B9R1.15 [O-][N+]1=C(CCl)N=CC=C1 AT18290 [0,1,0,0,0,1|2,0,0]=4 536 B9R1.7 CC1=CC=C(CCN)S1 31616 [0,2,0,0,0,0|0,1,0]=3 537 B9R1.7 CC1=CNC(CCN)=N1 F17871 [0,2,0,0,0,0|2,0,0]=4 538 B9R1.7 CC1=CSC(CCN)=C1 96997 [0,2,0,0,0,0|0,1,0]=3 539 B9R1.7 CC1=NC(CCN)=CO1 AT18664 [0,2,0,0,0,0|2,0,0]=4 540 B9R1.7 CC1=NC=C(CC#N)O1 AT18729 [0,2,0,0,0,0|1,0,1]=4 541 B9R1.7 CCCC1=CC(=O)NO1 AC2645 [0,2,0,0,0,0|1,0,0]=3 542 B9R1.7 CCCC1=COC(Br)=N1 AT18459 [0,2,0,0,0,0|2,0,0]=4 543 B9R1.7 CCCC1=NN=C(S)O1 AT18828 [0,2,0,0,0,0|2,0,0]=4 544 B9R1.7 CCCN1C=CC(O)=N1 AC6302 [0,2,0,0,0,0|2,0,0]=4 545 B9R1.7 CCOC1=CC(N)=NN1 76280 [0,2,0,0,0,0|2,0,0]=4 546 B9R1.7 CCOC1=CC(N)=NN1 D70001 [0,2,0,0,0,0|2,0,0]=4 547 B9R1.7 CCOC1=NNC(Br)=C1 P14561 [0,2,0,0,0,0|2,0,0]=4 548 B9R1.7 CCSC1=NC(C)=CS1 H11517 [0,2,0,0,0,0|1,1,0]=4 549 B9R1.7 CN1C=CC(CCO)=N1 AT15991 [0,2,0,0,0,0|2,0,0]=4 550 B9R1.7 CN1C=NC(CCO)=C1 AT15589 [0,2,0,0,0,0|2,0,0]=4 551 B9R1.7 CNCC1=CC(C)=NO1 C15741 [0,2,0,0,0,0|1,0,0]=3 552 B9R1.7 CNCC1=CC=C(C)S1 75578 [0,2,0,0,0,0|0,1,0]=3 553 B9R1.7 CNCC1=CNC(Br)=C1 F13038 [0,2,0,0,0,0|2,0,0]=4 554 B9R1.7 CNCC1=CSC(C)=N1 F30719 [0,2,0,0,0,0|2,0,0]=4 555 B9R1.7 CNCC1=NC(C)=CS1 70492 [0,2,0,0,0,0|1,1,0]=4 556 B9R1.7 CNCC1=NN(C)C=C1 AT14334 [0,2,0,0,0,0|2,0,0]=4 557 B9R1.7 CNCC1=NN=C(C)O1 AT18776 [0,2,0,0,0,0|2,0,0]=4 558 B9R1.7 COCC1=CN=C(N)S1 C77468 [0,2,0,0,0,0|1,1,0]=4 559 B9R1.7 COCC1=CSC(N)=N1 80901 [0,2,0,0,0,0|2,0,0]=4 560 B9R1.7 CSCC1=NN=C(S)O1 AT18830 [0,2,0,0,0,0|2,0,0]=4 561 B9R1.7 FCCN1C=C(I)C=N1 AC9590 [0,2,0,0,0,0|2,0,0]=4 562 B9R1.7 N#CCC1=CC=C(Cl)S1 AC8046 [0,2,0,0,0,0|0,1,1]=4 563 B9R1.7 NCCC1=CN=C(O)S1 S10248 [0,2,0,0,0,0|1,1,0]=4 564 B9R1.7 NCCC1=NC=C(Br)S1 AT14710 [0,2,0,0,0,0|1,1,0]=4 565 B9R1.7 NCCC1=NNC(=S)O1 AT18832 [0,2,0,0,0,0|2,0,0]=4 566 B9R1.7 NCCN1C=C(Br)C=N1 AT16015 [0,2,0,0,0,0|2,0,0]=4 567 B9R1.7 NNCC1=CC=C(Cl)S1 P10520 [0,2,0,0,0,0|1,1,0]=4 568 B9R1.21 C=CC1=NN(CC)C=C1 C92834 [0,2,0,0,0,0|2,0,0]=4 569 B9R1.21 CCC1=CC(CN)=CS1 54989 [0,2,0,0,0,0|0,1,0]=3 570 B9R1.21 CCC1=CN=C(CCl)O1 AT18577 [0,2,0,0,0,0|1,0,0]=3 571 B9R1.21 CCC1=NC(C=O)=CS1 AT15240 [0,2,0,0,0,0|1,1,0]=4 572 B9R1.21 CCC1=NC(CBr)=CS1 AT15280 [0,2,0,0,0,0|1,1,0]=4 573 B9R1.21 CCC1=NC(CCl)=CO1 D87036 [0,2,0,0,0,0|1,0,0]=3 574 B9R1.21 CCC1=NC(CCl)=CS1 AT26679 [0,2,0,0,0,0|1,1,0]=4 575 B9R1.21 CCC1=NC(CCl)=NO1 C16434 [0,2,0,0,0,0|2,0,0]=4 576 B9R1.21 CCC1=NC(CO)=NO1 F13042 [0,2,0,0,0,0|2,0,0]=4 577 B9R1.21 CCC1=NC=C(CO)N1 AT15340 [0,2,0,0,0,0|2,0,0]=4 578 B9R1.21 CCC1=NN(CC)C=C1 C91457 [0,2,0,0,0,0|2,0,0]=4 579 B9R1.21 CCC1=NN=C(CBr)O1 AT18835 [0,2,0,0,0,0|2,0,0]=4 580 B9R1.21 CCC1=NN=C(CCl)O1 AT18836 [0,2,0,0,0,0|2,0,0]=4 581 B9R1.21 CCC1=NN=C(CN)O1 AT18777 [0,2,0,0,0,0|2,0,0]=4 582 B9R1.21 CCN1C=C(CBr)C=N1 AT16085 [0,2,0,0,0,0|2,0,0]=4 583 B9R1.21 CCN1C=CC(C=O)=C1 AT16331 [0,2,0,0,0,0|2,0,0]=4 584 B9R1.21 CCN1C=CC(C=O)=N1 F14621 [0,2,0,0,0,0|2,0,0]=4 585 B9R1.21 CCN1C=CC(CBr)=N1 AT15927 [0,2,0,0,0,0|2,0,0]=4 586 B9R1.21 CCN1C=CC(CN)=N1 C77621 [0,2,0,0,0,0|2,0,0]=4 587 B9R1.21 CCN1C=CC(CO)=N1 AT24106 [0,2,0,0,0,0|2,0,0]=4 588 B9R1.21 COC1=CC=C(C=O)O1 AT17092 [0,2,0,0,0,0|1,0,0]=3 589 B9R1.21 COC1=CC=C(C=O)S1 F53534 [0,2,0,0,0,0|1,1,0]=4 590 B9R1.21 COC1=NOC(CO)=C1 70864 [0,2,0,0,0,0|2,0,0]=4 591 B9R1.21 CSC1=CC=C(C#N)S1 AT16707 [0,2,0,0,0,0|1,1,0]=4 592 B9R1.21 CSC1=CC=C(C=O)O1 AT17272 [0,2,0,0,0,0|1,0,0]=3 593 B9R1.21 CSC1=CC=C(C=O)S1 T72147 [0,2,0,0,0,0|1,1,0]=4 594 B9R1.21 N#CC1=CC=C(CCl)O1 AT17436 [0,2,0,0,0,0|1,0,0]=3 595 B9R1.21 N#CC1=CC=C(CN)S1 20230 [0,2,0,0,0,0|1,1,0]=4 596 B9R1.21 NCC1=CC=C(CO)O1 AT17200 [0,2,0,0,0,0|1,0,0]=3 597 B9R1.21 O=CC1=CC=C(CCl)O1 F11818 [0,2,0,0,0,0|1,0,0]=3 598 B9R1.22 CC1=NC(C)=C(CCl)O1 88379 [0,2,0,0,0,0|2,0,0]=4 599 B9R1.22 CCC1=C(C)N=C(N)S1 O11427 [0,2,0,0,0,0|1,1,0]=4 600 B9R1.22 CN1C=C(Br)C=C1CN AT16230 [0,2,0,0,0,0|2,0,0]=4 601 B9R1.22 CN1C=C(Br)C=C1CN AT16241 [0,2,0,0,0,0|2,0,0]=4 602 B9R1.23 CC1=C(C)OC(C=O)=C1 F30227 [0,2,0,0,0,0|1,0,1]=4 603 B9R1.23 CC1=C(C)OC(CCl)=N1 AT18579 [0,2,0,0,0,0|2,0,0]=4 604 B9R1.23 CCN1C=C(Cl)C(N)=N1 AT16075 [0,2,0,0,0,0|2,0,0]=4 605 B9R1.23 O=CC1=CC(Br)=C(Br)O1 I10154 [0,2,0,0,0,0|1,0,1]=4 606 B9R1.35 CC(=O)C1=CC(Br)=NO1 AT19699 [0,2,0,0,0,0|1,0,1]=4 607 B9R1.35 CC(=O)C1=CC=C(Br)N1 C90268 [0,2,0,0,0,0|1,0,1]=4 608 B9R1.35 CC(=O)C1=CC=C(Br)O1 O10305 [0,2,0,0,0,0|0,0,1]=3 609 B9R1.35 CC(C)C1=CC(N)=NO1 AT19779 [0,2,0,0,0,0|1,0,0]=3 610 B9R1.35 CC(C)C1=CN=C(Br)O1 AT18460 [0,2,0,0,0,0|1,0,0]=3 611 B9R1.35 CC(C)C1=CN=C(Cl)O1 AT18556 [0,2,0,0,0,0|1,0,0]=3 612 B9R1.35 CC(C)C1=CN=C(N)O1 AT18720 [0,2,0,0,0,0|1,0,0]=3 613 B9R1.35 CC(C)C1=CSC(Br)=N1 C71112 [0,2,0,0,0,0|2,0,0]=4 614 B9R1.35 CC(C)C1=NC(Br)=NO1 AT25812 [0,2,0,0,0,0|2,0,0]=4 615 B9R1.35 CC(C)C1=NC=C(Br)N1 AT15320 [0,2,0,0,0,0|2,0,0]=4 616 B9R1.35 CC(C)C1=NC=C(Br)O1 AT18554 [0,2,0,0,0,0|1,0,0]=3 617 B9R1.35 CC(C)C1=NN=C(Cl)O1 AT18785 [0,2,0,0,0,0|2,0,0]=4 618 B9R1.35 CC(C)C1=NN=C(S)O1 AT18784 [0,2,0,0,0,0|2,0,0]=4 619 B9R1.35 CC(C)N1C=CC(I)=N1 C91460 [0,2,0,0,0,0|2,0,0]=4 620 B9R1.35 CC1=CC(C(C)C)=NN1 89085 [0,2,0,0,0,0|2,0,0]=4 621 B9R1.35 CC1=CC([C@H](C)O)=NO1 AT19830 [0,2,0,0,0,0|2,0,0]=4 622 B9R1.35 CC1=CC([C@H](C)O)=NO1 AT19832 [0,2,0,0,0,0|2,0,0]=4 623 B9R1.35 CC1=CC=C([C@H](C)N)O1 N12562 [0,2,0,0,0,0|0,0,0]=2 624 B9R1.35 CC1=CC=C([C@H](C)N)O1 Y12182 [0,2,0,0,0,0|0,0,0]=2 625 B9R1.35 CC1=CN=C([C@H](C)N)O1 F53855 [0,2,0,0,0,0|1,0,0]=3 626 B9R1.35 CC1=NC([C@H](C)N)=CS1 N14678 [0,2,0,0,0,0|2,0,0]=4 627 B9R1.35 CC1=NN=C([C@H](C)Cl)O1 C77624 [0,2,0,0,0,0|2,0,0]=4 628 B9R1.35 CC1=NN=C([C@H](C)O)O1 AT18796 [0,2,0,0,0,0|2,0,0]=4 629 B9R1.35 CC1=NN=C([C@H](C)O)O1 AT18797 [0,2,0,0,0,0|2,0,0]=4 630 B9R1.35 CC1=NN=C([C@H](C)O)O1 AT18798 [0,2,0,0,0,0|2,0,0]=4 631 B9R1.35 C[C@H](Cl)C1=CC=C(Cl)O1 55261 [0,2,0,0,0,0|0,0,0]=2 632 B9R1.35 C[C@H](F)C1=CC(N)=NN1 CS2532 [0,2,0,0,0,0|2,0,0]=4 633 B9R1.35 C[C@H](N)C1=CC(Br)=NO1 AT19712 [0,2,0,0,0,0|1,0,0]=3 634 B9R1.35 C[C@H](N)C1=CC(Br)=NO1 AT19715 [0,2,0,0,0,0|1,0,0]=3 635 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y12846 [0,2,0,0,0,0|0,0,0]=2 636 B9R1.35 C[C@H](N)C1=CC=C(Cl)S1 30561 [0,2,0,0,0,0|0,1,0]=3 637 B9R1.35 C[C@H](N)C1=CN(C)C=N1 AT22193 [0,2,0,0,0,0|2,0,0]=4 638 B9R1.35 C[C@H](N)C1=CSC(Cl)=C1 P13206 [0,2,0,0,0,0|2,0,0]=4 639 B9R1.35 C[C@H](N)C1=NN(C)C=C1 AT14351 [0,2,0,0,0,0|2,0,0]=4 640 B9R1.35 C[C@H](N)C1=NN(C)C=C1 D96322 [0,2,0,0,0,0|2,0,0]=4 641 B9R1.35 C[C@H](O)C1=CC(Br)=CS1 39106 [0,2,0,0,0,0|0,1,0]=3 642 B9R1.35 C[C@H](O)C1=CC(Br)=CS1 P19372 [0,2,0,0,0,0|0,1,0]=3 643 B9R1.35 C[C@H](O)C1=CC=C(Cl)O1 55260 [0,2,0,0,0,0|0,0,0]=2 644 B9R1.35 C[C@H](O)C1=NC(Br)=CS1 AT21269 [0,2,0,0,0,0|1,1,0]=4 645 B9R1.35 C[C@H](O)C1=NN(C)C=C1 AT14463 [0,2,0,0,0,0|2,0,0]=4 646 B9R1.35 FC(F)C1=CC(Br)=NO1 AT19720 [0,2,0,0,0,0|2,0,0]=4 647 B9R1.35 FC(F)C1=CC=C(I)O1 AT17270 [0,2,0,0,0,0|1,0,0]=3 648 B9R1.35 O=C(Cl)C1=CC=C(Cl)O1 AT17320 [0,2,0,0,0,0|1,0,1]=4 649 B9R1.132 CC1=CC=C(CN)N1C P10224 [0,2,0,0,0,0|2,0,0]=4 650 B9R1.132 CCC1=NNC(N)=C1Br A12028 [0,2,0,0,0,0|2,0,0]=4 651 B9R1.132 CCC1=NOC(N)=C1Br AT19730 [0,2,0,0,0,0|2,0,0]=4 652 B9R1.132 CCN1N=CC(I)=C1C AT10955 [0,2,0,0,0,0|2,0,0]=4 653 B9R1.11 C=C[C@H](N)C1=CC=CO1 N16701 [0,2,0,0,0,0|0,0,1]=3 654 B9R1.11 C=C[C@H](N)C1=CC=CO1 N16702 [0,2,0,0,0,0|0,0,1]=3 655 B9R1.11 C=C[C@H](N)C1=CC=CO1 N16703 [0,2,0,0,0,0|0,0,1]=3 656 B9R1.11 CC[C@H](N)C1=COC=C1 N16720 [0,2,0,0,0,0|2,0,0]=4 657 B9R1.11 CC[C@H](N)C1=COC=C1 N16721 [0,2,0,0,0,0|2,0,0]=4 658 B9R1.11 CC[C@H](N)C1=COC=C1 N16722 [0,2,0,0,0,0|2,0,0]=4 659 B9R1.11 CC[C@H](N)C1=CSC=N1 N14434 [0,2,0,0,0,0|2,0,0]=4 660 B9R1.11 CC[C@H](N)C1=NC=CS1 N14679 [0,2,0,0,0,0|1,1,0]=4 661 B9R1.11 CC[C@H](N)C1=NC=CS1 N14680 [0,2,0,0,0,0|1,1,0]=4 662 B9R1.11 CN[C@@H](C)C1=CSC=N1 F14265 [0,2,0,0,0,0|2,0,0]=4 663 B9R1.11 CN[C@@H](C)C1=NC=CS1 AT10975 [0,2,0,0,0,0|1,1,0]=4 664 B9R1.11 CN[C@@H](C)C1=NOC=C1 AT10964 [0,2,0,0,0,0|2,0,0]=4 665 B9R1.11 C\C(=N/O)C1=CC=CS1 W18710 [0,2,0,0,0,0|0,1,1]=4 666 B9R1.11 N[C@@H](CO)C1=CC=CO1 C78116 [0,2,0,0,0,0|0,0,0]=2 667 B9R1.11 N[C@@H](CO)C1=COC=C1 N16732 [0,2,0,0,0,0|2,0,0]=4 668 B9R1.11 N[C@@H](CO)C1=CSC=C1 N13030 [0,2,0,0,0,0|2,0,0]=4 669 B9R1.11 N[C@@H](CO)C1=CSC=N1 N14696 [0,2,0,0,0,0|2,0,0]=4 670 B9R1.11 N[C@@H](CO)C1=CSC=N1 N14697 [0,2,0,0,0,0|2,0,0]=4 671 B9R1.11 N[C@@H](CO)C1=NC=CS1 N14686 [0,2,0,0,0,0|1,1,0]=4 672 B9R1.11 N[C@@H](CO)C1=NC=CS1 N14688 [0,2,0,0,0,0|1,1,0]=4 673 B9R1.11 O=C(CCl)C1=CN=CO1 AT18682 [0,2,0,0,0,0|1,0,1]=4 674 B9R1.11 O=C(CO)C1=CC=CS1 AC7083 [0,2,0,0,0,0|0,1,1]=4 675 B9R1.19 CC(C)(C)C1=CNC=C1 F53439 [0,2,0,0,0,0|2,0,0]=4 676 B9R1.19 FC(F)(F)C1=CC=CS1 54937 [0,2,0,0,0,0|1,1,0]=4 677 B9R1.19 O=S(=O)(Cl)C1=CC=CO1 H10563 [0,2,0,0,0,0|2,0,0]=4 678 B9R1.41 CC(=O)C1=C(Br)C=CO1 AT17466 [0,2,0,0,0,0|0,0,1]=3 679 B9R1.41 CC(=O)C1=C(O)C=CS1 AT16388 [0,2,0,0,0,0|0,1,1]=4 680 B9R1.41 CC(C)C1=C(Br)SC=N1 AC2048 [0,2,0,0,0,0|2,0,0]=4 681 B9R1.41 CC(C)C1=C(N)C=NO1 AT19808 [0,2,0,0,0,0|1,0,0]=3 682 B9R1.41 CC(C)C1=C(N)NC=N1 F52613 [0,2,0,0,0,0|2,0,0]=4 683 B9R1.41 CC(C)C1=C(N)SC=N1 W15851 [0,2,0,0,0,0|2,0,0]=4 684 B9R1.41 CC(C)C1=NC=CN1C 63235 [0,2,0,0,0,0|2,0,0]=4 685 B9R1.41 CC(C)N1N=CC=C1O P20906 [0,2,0,0,0,0|2,0,0]=4 686 B9R1.41 C[C@H](N)C1=CC=NN1C AT14324 [0,2,0,0,0,0|2,0,0]=4 687 B9R1.41 C[C@H](N)C1=CN=CN1C AT15465 [0,2,0,0,0,0|2,0,0]=4 688 B9R1.41 C[C@H](N)C1=NC=CN1C AT22196 [0,2,0,0,0,0|2,0,0]=4 689 B9R1.41 FC(F)C1=C(Br)C=CO1 AT17257 [0,2,0,0,0,0|1,0,0]=3 690 B9R1.41 NC(=O)C1=C(N)C=CO1 AC5297 [0,2,0,0,0,0|1,0,1]=4 691 B9R1.12 CNCCC1=CC=CS1 AT16732 [0,2,0,0,0,0|0,1,0]=3 692 B9R1.12 CNCCC1=CN=CN1 D86292 [0,2,0,0,0,0|2,0,0]=4 693 B9R1.12 ICCCC1=CC=CS1 AC6959 [0,2,0,0,0,0|0,1,0]=3 694 B9R1.12 N#CCCC1=CNC=N1 AT26027 [0,2,0,0,0,0|2,0,0]=4 695 B9R1.12 NCCCC1=NC=CN1 F10426 [0,2,0,0,0,0|2,0,0]=4 696 B9R1.12 O=CCCN1C=CC=N1 H11819 [0,2,0,0,0,0|2,0,0]=4 697 B9R1.12 OCCNC1=NC=CS1 AT14889 [0,2,0,0,0,0|1,1,0]=4 698 B9R1.13 CC(=O)CC1=CSC=C1 66590 [0,2,0,0,0,0|2,0,0]=4 699 B9R1.13 CC(=O)CN1C=CC=N1 AT23998 [0,2,0,0,0,0|2,0,0]=4 700 B9R1.13 C[C@H](N)CC1=COC=C1 89732 [0,2,0,0,0,0|2,0,0]=4 701 B9R1.13 C[C@H](N)CC1=COC=C1 89733 [0,2,0,0,0,0|2,0,0]=4 702 B9R1.13 C[C@H](N)CC1=COC=C1 89734 [0,2,0,0,0,0|2,0,0]=4 703 B9R1.13 C[C@H](N)CC1=CSC=C1 89730 [0,2,0,0,0,0|2,0,0]=4 704 B9R1.13 C[C@H](N)CC1=NNC=C1 I11135 [0,2,0,0,0,0|2,0,0]=4 705 B9R1.13 C[C@H](O)CC1=CC=CO1 W11911 [0,2,0,0,0,0|0,0,0]=2 706 B9R1.13 C[C@H](O)CC1=CSC=C1 58210 [0,2,0,0,0,0|2,0,0]=4 707 B9R1.13 C[C@H](O)CC1=CSC=C1 58214 [0,2,0,0,0,0|2,0,0]=4 708 B9R1.13 C[C@H](O)CC1=CSC=C1 58218 [0,2,0,0,0,0|2,0,0]=4 709 B9R1.13 NC(=O)CC1=CC=CN1 72456 [0,2,0,0,0,0|1,0,1]=4 710 B9R1.33 CC1=C(CCCl)SC=N1 T71110 [0,2,0,0,0,0|1,1,0]=4 711 B9R1.33 CC1=C(CCN)N=CN1 C15676 [0,2,0,0,0,0|2,0,0]=4 712 B9R1.33 CC1=C(CCN)N=CO1 AT18666 [0,2,0,0,0,0|2,0,0]=4 713 B9R1.33 CC1=C(CCN)SC=N1 D84303 [0,2,0,0,0,0|1,1,0]=4 714 B9R1.33 CCOC1=C(C)C=CS1 91672 [0,2,0,0,0,0|0,1,0]=3 715 B9R1.33 CN1C=CN=C1CCN AT24187 [0,2,0,0,0,0|2,0,0]=4 716 B9R1.33 CN1N=CC=C1CCO AT15967 [0,2,0,0,0,0|2,0,0]=4 717 B9R1.33 CNCC1=CN=CN1C AT15467 [0,2,0,0,0,0|2,0,0]=4 718 B9R1.33 CNCC1=NC=CN1C AT15623 [0,2,0,0,0,0|2,0,0]=4 719 B9R1.33 CNCC1=NSC=C1Br D80074 [0,2,0,0,0,0|2,0,0]=4 720 B9R1.33 N#CCC1=C(Cl)C=CS1 AT16887 [0,2,0,0,0,0|0,1,1]=4 721 B9R1.14 BrCC1=C(CBr)SC=C1 AC3823 [0,2,0,0,0,0|1,1,0]=4 722 B9R1.14 CCC1=NNC=C1C=O O10999 [0,2,0,0,0,0|2,0,0]=4 723 B9R1.14 CCN1C=CC=C1C#N C91267 [0,2,0,0,0,0|2,0,0]=4 724 B9R1.14 CCN1N=CC=C1CCl AT15932 [0,2,0,0,0,0|2,0,0]=4 725 B9R1.14 CCN1N=CC=C1CN AT14325 [0,2,0,0,0,0|2,0,0]=4 726 B7R1.3 OC1=CN=NCC1 S11490 [0,0,1,1,0,0|2,0,0]=4 727 B9R2.2 C1=CSC(C2CC2)=N1 95281 [0,1,0,1,0,0|1,1,0]=4 728 B9R2.2 C1=NC(C2CC2)=CN1 70406 [0,1,0,1,0,0|2,0,0]=4 729 B9R2.3 C1=CC2=C(CNC2)O1 91178 [0,1,0,1,0,0|0,0,0]=2 730 B9R2.3 C1=NC2=C(CNC2)S1 AC2026 [0,1,0,1,0,0|1,1,0]=4 731 B9R2.3 C1=NN2CCOC2=C1 AT11029 [0,1,0,1,0,0|2,0,0]=4