0 B7R1.4 BrC1=COC=C1Br 6921831 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.4 BrC1=CSC=C1Br 22430610 [0,0,0,0,0,0|4,0,0]=4 2 B7R1.4 CC1=C(Br)C=NN1 1361124 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.4 CC1=C(C)SC=N1 1287023 [0,0,0,0,0,0|2,1,0]=3 4 B7R1.4 CC1=NNC=C1N 15386134 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.4 CC1=NSN=C1C 11639050 [0,0,0,0,0,0|4,0,0]=4 6 B7R1.4 CN1C=CN=C1N 4787230 [0,0,0,0,0,0|4,0,0]=4 7 B7R1.4 CN1C=CN=C1S 0117381080 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.4 CN1N=CC=C1N 2213053 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.4 CN1N=NN=C1S 5009193 [0,0,0,0,0,0|4,0,0]=4 10 B6R1.2 BrC1=CC=CS1 1362078 [1,0,0,0,0,0|1,1,0]=3 11 B6R1.2 BrC1=CNN=C1 1361121 [1,0,0,0,0,0|3,0,0]=4 12 B6R1.2 BrC1=CSC=C1 1362079 [1,0,0,0,0,0|1,1,0]=3 13 B6R1.2 CC1=CC=CO1 2825319 [1,0,0,0,0,0|0,0,0]=1 14 B6R1.2 CC1=CC=CS1 2825522 [1,0,0,0,0,0|0,1,0]=2 15 B6R1.2 CC1=CC=NN1 5009700 [1,0,0,0,0,0|2,0,0]=3 16 B6R1.2 CC1=CN=CN1 22430348 [1,0,0,0,0,0|2,0,0]=3 17 B6R1.2 CC1=CSC=C1 2816743 [1,0,0,0,0,0|1,1,0]=3 18 B6R1.2 CC1=CSC=N1 1287022 [1,0,0,0,0,0|2,0,0]=3 19 B6R1.2 CC1=NC=CN1 2825323 [1,0,0,0,0,0|2,0,0]=3 20 B6R1.2 CC1=NNC=C1 2816612 [1,0,0,0,0,0|2,0,0]=3 21 B6R1.2 CN1C=CC=C1 2825317 [1,0,0,0,0,0|2,0,0]=3 22 B6R1.2 CN1C=CN=C1 2825324 [1,0,0,0,0,0|3,0,0]=4 23 B6R1.2 CN1C=NC=N1 2825329 [1,0,0,0,0,0|3,0,0]=4 24 B6R1.2 ClC1=CC=CS1 2826105 [1,0,0,0,0,0|1,1,0]=3 25 B6R1.2 ClC1=NC=CN1 7135534 [1,0,0,0,0,0|3,0,0]=4 26 B6R1.2 IC1=CNN=C1 2630934 [1,0,0,0,0,0|3,0,0]=4 27 B6R1.2 NC1=CC=NN1 1182234 [1,0,0,0,0,0|3,0,0]=4 28 B6R1.2 NC1=CN=CN1 4666719 [1,0,0,0,0,0|3,0,0]=4 29 B6R1.2 NC1=CNN=C1 2212578 [1,0,0,0,0,0|3,0,0]=4 30 B6R1.2 NC1=NC=CS1 2825567 [1,0,0,0,0,0|2,1,0]=4 31 B6R1.2 NC1=NNC=C1 2816613 [1,0,0,0,0,0|3,0,0]=4 32 B6R1.2 O=C1C=CCC1 2825320 [1,0,0,0,0,0|1,1,1]=4 33 B6R1.2 SC1=NC=CN1 4061582 [1,0,0,0,0,0|3,0,0]=4 34 B6R1.2 SC1=NN=CN1 988462 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.11 CC1=C(C=O)C=NN1 4666809 [0,1,0,0,0,0|2,1,0]=4 36 B8R1.11 CC1=C(C=O)OC=N1 4061324 [0,1,0,0,0,0|2,0,1]=4 37 B8R1.11 CC1=C(CN)C=NN1 15298416 [0,1,0,0,0,0|3,0,0]=4 38 B8R1.11 CC1=NNC=C1C=O 1182236 [0,1,0,0,0,0|2,1,0]=4 39 B8R1.11 CN1C=CN=C1CCl 1088512 [0,1,0,0,0,0|3,0,0]=4 40 B8R1.11 CN1C=CN=C1CN 7020542515 [0,1,0,0,0,0|3,0,0]=4 41 B8R1.11 CN1C=CN=C1CO 1088507 [0,1,0,0,0,0|3,0,0]=4 42 B8R1.18 CC1=C(C)SC(N)=N1 7210540018 [0,1,0,0,0,0|2,1,0]=4 43 B8R1.18 CC1=CC(=O)OC1=O 2825795 [0,1,0,0,0,0|2,0,0]=3 44 B8R1.18 CC1=CC(N)=NN1C 2213515 [0,1,0,0,0,0|3,0,0]=4 45 B8R1.18 CC1=NN(C)C(O)=C1 5005408 [0,1,0,0,0,0|2,1,0]=4 46 B8R1.50 CC1=NNC(C)=C1Br 1361125 [0,1,0,0,0,0|3,0,0]=4 47 B8R1.50 CC1=NOC(C)=C1N 1660913 [0,1,0,0,0,0|2,0,0]=3 48 B8R1.50 CC1=NOC(N)=C1Br 2213146 [0,1,0,0,0,0|3,0,0]=4 49 B8R1.50 CC1=NSC(N)=C1Cl 3668623 [0,1,0,0,0,0|3,0,0]=4 50 B6R0.1 C\C=C\C(=O)OC 22430575 [0,0,1,0,0,0|2,1,0]=4 51 B6R0.3 C=C(C)C(=O)OC 2825557 [0,0,1,0,0,0|2,0,1]=4 52 B6R0.6 O=C\C=C\C=C\[O-] 22430332 [0,0,1,0,0,0|2,1,0]=4 53 B8R1.4 CC1=CC(=O)NC=C1 1445642 [0,0,0,0,0,1|2,1,0]=4 54 B8R1.4 CC1=CC(C)=NC=C1 2825693 [0,0,0,0,0,1|2,0,0]=3 55 B8R1.4 CC1=CC(C)=NC=N1 5009564 [0,0,0,0,0,1|3,0,0]=4 56 B8R1.4 CC1=CC(Cl)=NC=C1 22430560 [0,0,0,0,0,1|3,0,0]=4 57 B8R1.4 CC1=CC(N)=CC=N1 1496346 [0,0,0,0,0,1|2,0,0]=3 58 B8R1.4 CC1=CC(N)=CC=N1 1500240 [0,0,0,0,0,1|2,0,0]=3 59 B8R1.4 CC1=CC(O)=CC=C1 2825708 [0,0,0,0,0,1|1,1,0]=3 60 B8R1.4 CC1=CC=CC(Br)=C1 1287409 [0,0,0,0,0,1|2,0,0]=3 61 B8R1.4 CC1=CC=CC(C)=C1 2825677 [0,0,0,0,0,1|2,0,0]=3 62 B8R1.4 CC1=CC=CC(C)=N1 2825696 [0,0,0,0,0,1|2,0,0]=3 63 B8R1.4 CC1=CC=CC(Cl)=C1 2826369 [0,0,0,0,0,1|2,0,0]=3 64 B8R1.4 CC1=CC=CC(N)=C1 3585811 [0,0,0,0,0,1|2,0,0]=3 65 B8R1.4 CC1=CC=CC(N)=N1 2825715 [0,0,0,0,0,1|2,0,0]=3 66 B8R1.4 CC1=CC=NC(N)=C1 7015122364 [0,0,0,0,0,1|3,0,0]=4 67 B8R1.4 CC1=CC=NC(O)=N1 3353962 [0,0,0,0,0,1|2,1,0]=4 68 B8R1.4 CC1=CN=CC(Br)=C1 22430615 [0,0,0,0,0,1|3,0,0]=4 69 B8R1.4 CC1=CN=CC(C)=C1 6057011 [0,0,0,0,0,1|3,0,0]=4 70 B8R1.4 CC1=C[N+]([O-])=CC=C1 2825733 [0,0,0,0,0,1|2,1,0]=4 71 B8R1.4 CC1=NC=NC(O)=C1 3354285 [0,0,0,0,0,1|2,1,0]=4 72 B8R1.4 ClC1=CC(Cl)=NC=C1 22430594 [0,0,0,0,0,1|3,0,0]=4 73 B8R1.4 ClC1=CC=CC(Br)=C1 1287418 [0,0,0,0,0,1|3,0,0]=4 74 B8R1.4 ClC1=CC=CC(Cl)=C1 2828765 [0,0,0,0,0,1|3,0,0]=4 75 B8R1.4 ClC1=CC=CC(Cl)=N1 2828869 [0,0,0,0,0,1|3,0,0]=4 76 B8R1.4 ClC1=NC(Cl)=NC=C1 2828969 [0,0,0,0,0,1|3,0,0]=4 77 B8R1.4 FC1=CC=CC(Br)=C1 1903198 [0,0,0,0,0,1|3,0,0]=4 78 B8R1.4 FC1=CC=CC(F)=C1 2825886 [0,0,0,0,0,1|3,0,0]=4 79 B8R1.4 NC1=CC(Br)=CC=C1 1362075 [0,0,0,0,0,1|3,0,0]=4 80 B8R1.4 NC1=CC(Br)=NC=C1 7216640154 [0,0,0,0,0,1|3,0,0]=4 81 B8R1.4 NC1=CC(Cl)=CC=C1 2826459 [0,0,0,0,0,1|3,0,0]=4 82 B8R1.4 NC1=CC(F)=CC=C1 2825774 [0,0,0,0,0,1|3,0,0]=4 83 B8R1.4 NC1=CC(O)=CC=C1 1106784 [0,0,0,0,0,1|2,1,0]=4 84 B8R1.4 NC1=CC=CC(N)=C1 1972927 [0,0,0,0,0,1|3,0,0]=4 85 B8R1.4 NC1=CC=CC(N)=N1 2825734 [0,0,0,0,0,1|3,0,0]=4 86 B8R1.4 NC1=NC(=O)NC=C1 3664347 [0,0,0,0,0,1|3,0,0]=4 87 B8R1.4 NC1=NC(Br)=CC=C1 2213493 [0,0,0,0,0,1|3,0,0]=4 88 B8R1.4 NC1=NC(Cl)=CC=C1 3665787 [0,0,0,0,0,1|3,0,0]=4 89 B8R1.4 NC1=NC=CC(=O)N1 2212901 [0,0,0,0,0,1|2,1,0]=4 90 B8R1.4 NC1=NC=CC(Br)=C1 7110952492 [0,0,0,0,0,1|3,0,0]=4 91 B8R1.4 NC1=NC=CC(Cl)=C1 7110952557 [0,0,0,0,0,1|3,0,0]=4 92 B8R1.4 O=C1C=CC=C(Cl)N1 6849602 [0,0,0,0,0,1|2,1,0]=4 93 B8R1.4 O=C1C=CN=C(S)N1 5973554 [0,0,0,0,0,1|2,1,0]=4 94 B8R1.4 O=C1C=CNC(=O)N1 1312677 [0,0,0,0,0,1|2,1,0]=4 95 B8R1.4 O=C1C=CNC(=S)N1 1287909 [0,0,0,0,0,1|2,1,0]=4 96 B8R1.4 OC1=CC(Br)=CC=C1 1287431 [0,0,0,0,0,1|2,1,0]=4 97 B8R1.4 OC1=CC(Cl)=CC=C1 2826548 [0,0,0,0,0,1|2,1,0]=4 98 B8R1.4 OC1=CC(F)=CC=C1 2825801 [0,0,0,0,0,1|2,1,0]=4 99 B8R1.4 OC1=CC=CC(O)=C1 2825748 [0,0,0,0,0,1|2,1,0]=4 100 B8R1.5 CC1=C(Br)C=CC=C1 1287408 [0,0,0,0,0,1|2,0,0]=3 101 B8R1.5 CC1=C(Br)N=CC=C1 2835840 [0,0,0,0,0,1|2,0,0]=3 102 B8R1.5 CC1=C(C)C=CC=C1 2825679 [0,0,0,0,0,1|2,0,0]=3 103 B8R1.5 CC1=C(Cl)C=CC=C1 2826368 [0,0,0,0,0,1|2,0,0]=3 104 B8R1.5 CC1=C(Cl)N=CC=C1 2817631 [0,0,0,0,0,1|2,0,0]=3 105 B8R1.5 CC1=C(N)C=CC=C1 2825687 [0,0,0,0,0,1|2,0,0]=3 106 B8R1.5 CC1=C(O)C=CC=C1 2825709 [0,0,0,0,0,1|1,1,0]=3 107 B8R1.5 CC1=CC=CC=C1F 2825751 [0,0,0,0,0,1|2,0,0]=3 108 B8R1.5 CC1=CC=CC=C1N 3585807 [0,0,0,0,0,1|2,0,0]=3 109 B8R1.5 CC1=CC=CN=C1N 2825713 [0,0,0,0,0,1|2,0,0]=3 110 B8R1.5 CC1=CC=CNC1=O 1298063 [0,0,0,0,0,1|1,1,0]=3 111 B8R1.5 CC1=NC=CN=C1C 22430620 [0,0,0,0,0,1|2,0,0]=3 112 B8R1.5 ClC1=C(Br)C=CC=N1 7110952626 [0,0,0,0,0,1|3,0,0]=4 113 B8R1.5 ClC1=C(Cl)C=CC=C1 2828763 [0,0,0,0,0,1|3,0,0]=4 114 B8R1.5 FC1=C(Br)C=CC=C1 1287411 [0,0,0,0,0,1|3,0,0]=4 115 B8R1.5 FC1=C(F)C=CC=C1 2825885 [0,0,0,0,0,1|3,0,0]=4 116 B8R1.5 NC1=C(Br)C=CC=N1 7110951380 [0,0,0,0,0,1|3,0,0]=4 117 B8R1.5 NC1=C(Cl)C=CC=N1 7110951381 [0,0,0,0,0,1|3,0,0]=4 118 B8R1.5 NC1=C(Cl)N=CC=C1 7110951374 [0,0,0,0,0,1|3,0,0]=4 119 B8R1.5 NC1=C(F)C=CC=C1 2825775 [0,0,0,0,0,1|3,0,0]=4 120 B8R1.5 NC1=C(N)C=CC=C1 22430366 [0,0,0,0,0,1|3,0,0]=4 121 B8R1.5 NC1=C(N)C=CC=C1 2825714 [0,0,0,0,0,1|3,0,0]=4 122 B8R1.5 NC1=C(O)C=CC=C1 2129098 [0,0,0,0,0,1|2,1,0]=4 123 B8R1.5 NC1=CC=CC=C1Br 1362091 [0,0,0,0,0,1|3,0,0]=4 124 B8R1.5 NC1=CC=CC=C1Cl 2826458 [0,0,0,0,0,1|3,0,0]=4 125 B8R1.5 NC1=CC=CC=C1I 7020410063 [0,0,0,0,0,1|3,0,0]=4 126 B8R1.5 NC1=CC=CC=C1N 5753508 [0,0,0,0,0,1|3,0,0]=4 127 B8R1.5 NC1=NC=CC=C1O 1514722 [0,0,0,0,0,1|2,1,0]=4 128 B8R1.5 OC1=C(Br)C=CC=C1 1287430 [0,0,0,0,0,1|2,1,0]=4 129 B8R1.5 OC1=C(Cl)C=CC=C1 2826547 [0,0,0,0,0,1|2,1,0]=4 130 B8R1.5 OC1=C(F)C=CC=C1 22430483 [0,0,0,0,0,1|2,1,0]=4 131 B8R1.5 OC1=C(I)C=CC=C1 3191832 [0,0,0,0,0,1|2,1,0]=4 132 B8R1.5 OC1=C(O)C=CC=C1 2825747 [0,0,0,0,0,1|2,1,0]=4 133 B5R0.1 C=COC(C)=O 2825364 [1,0,1,0,0,0|0,1,0]=3 134 B5R0.1 C\C=C\C(=O)O 5252226 [1,0,1,0,0,0|1,0,1]=4 135 B5R0.3 C=CC(=O)OC 2825362 [1,0,1,0,0,0|1,0,1]=4 136 B5R0.5 C=C(C)C(=O)O 2825357 [1,0,1,0,0,0|1,1,0]=4 137 B5R1.1 C1=CNC=N1 5023602 [2,0,0,0,0,0|2,0,0]=4 138 B5R1.1 C1=COC=C1 22430529 [2,0,0,0,0,0|0,0,0]=2 139 B5R1.1 C1=COCC1 22430513 [2,0,0,0,0,0|0,0,2]=4 140 B5R1.1 C1=CSC=C1 2825345 [2,0,0,0,0,0|0,1,0]=3 141 B7R0.4 C\C=C\C=C\C(=O)O 5810252 [0,1,1,0,0,0|1,1,0]=4 142 B7R1.1 CCC1=CC=CS1 2825840 [1,1,0,0,0,0|0,1,0]=3 143 B7R1.1 CCC1=NC=CN1 2816718 [1,1,0,0,0,0|2,0,0]=4 144 B7R1.1 N#CC1=CC=CO1 2825449 [1,1,0,0,0,0|0,0,1]=3 145 B7R1.1 N#CC1=COC=C1 2816687 [1,1,0,0,0,0|1,0,0]=3 146 B7R1.1 N#CC1=CSC=C1 2825739 [1,1,0,0,0,0|1,1,0]=4 147 B7R1.1 NCC1=CC=CN1 7020542628 [1,1,0,0,0,0|1,0,0]=3 148 B7R1.1 NCC1=CC=CO1 1038603 [1,1,0,0,0,0|0,0,0]=2 149 B7R1.1 NCC1=CC=CS1 1038604 [1,1,0,0,0,0|0,1,0]=3 150 B7R1.1 NCC1=NC=CS1 1044145 [1,1,0,0,0,0|1,1,0]=4 151 B7R1.1 O=CC1=CC=CN1 7020420392 [1,1,0,0,0,0|1,0,1]=4 152 B7R1.1 O=CC1=CC=CO1 988493 [1,1,0,0,0,0|0,0,1]=3 153 B7R1.1 O=CC1=CC=CS1 2048717 [1,1,0,0,0,0|0,1,1]=4 154 B7R1.1 O=CC1=CSC=C1 22430573 [1,1,0,0,0,0|0,2,0]=4 155 B7R1.1 OCC1=CC=CO1 2084339 [1,1,0,0,0,0|0,0,0]=2 156 B7R1.1 OCC1=CC=NO1 2128179 [1,1,0,0,0,0|1,0,0]=3 157 B7R1.1 OCC1=COC=C1 2816728 [1,1,0,0,0,0|0,1,0]=3 158 B7R1.1 OCC1=NNC=C1 2652239 [1,1,0,0,0,0|2,0,0]=4 159 B7R1.2 CC1=CC(=O)CC1 2825479 [1,1,0,0,0,0|1,0,1]=4 160 B7R1.2 CC1=CC(C)=NO1 2825493 [1,1,0,0,0,0|1,0,0]=3 161 B7R1.2 CC1=CC(N)=NO1 7119850614 [1,1,0,0,0,0|1,0,0]=3 162 B7R1.2 CC1=CN=C(N)S1 2630832 [1,1,0,0,0,0|1,1,0]=4 163 B7R1.2 CC1=CSC(=O)N1 2825947 [1,1,0,0,0,0|2,0,0]=4 164 B7R1.2 CC1=CSC(Br)=C1 4043755 [1,1,0,0,0,0|1,1,0]=4 165 B7R1.2 CC1=CSC(N)=N1 1436699 [1,1,0,0,0,0|2,0,0]=4 166 B7R1.2 CC1=CSC(O)=N1 3354376 [1,1,0,0,0,0|2,0,0]=4 167 B7R1.2 CC1=NNC(N)=C1 1196756 [1,1,0,0,0,0|2,0,0]=4 168 B7R1.2 CC1=NNC(N)=C1 15386131 [1,1,0,0,0,0|2,0,0]=4 169 B7R1.2 CC1=NNC(O)=C1 7118292268 [1,1,0,0,0,0|2,0,0]=4 170 B7R1.2 CC1=NOC(N)=C1 1778555 [1,1,0,0,0,0|2,0,0]=4 171 B7R1.2 CC1=NOC([O-])=C1 6001148 [1,1,0,0,0,0|2,0,0]=4 172 B7R1.2 CN1C=C(I)C=N1 2630927 [1,1,0,0,0,0|2,0,0]=4 173 B7R1.2 CN1C=C(N)C=N1 15386135 [1,1,0,0,0,0|2,0,0]=4 174 B7R1.2 ClC1=CC=C(Cl)S1 2829511 [1,1,0,0,0,0|1,1,0]=4 175 B7R1.2 O=C1C=CC(=O)O1 2825505 [1,1,0,0,0,0|1,0,0]=3 176 B9R1.2 CC1=CC(C#N)=CC=C1 1901689 [0,1,0,0,0,1|2,0,0]=4 177 B9R1.2 CC1=CC=CC(C=O)=C1 1901706 [0,1,0,0,0,1|1,1,0]=4 178 B9R1.2 CC1=CC=CC(CCl)=C1 2048752 [0,1,0,0,0,1|2,0,0]=4 179 B9R1.2 CC1=CC=CC(CN)=C1 1038610 [0,1,0,0,0,1|2,0,0]=4 180 B9R1.2 CCC1=CC(O)=CC=C1 2826182 [0,1,0,0,0,1|1,1,0]=4 181 B9R1.2 CNC1=CC(O)=CC=C1 2225858 [0,1,0,0,0,1|1,1,0]=4 182 B9R1.2 COC1=CC(N)=CC=C1 1314579 [0,1,0,0,0,1|2,0,0]=4 183 B9R1.2 COC1=CC=CC(Br)=C1 1287416 [0,1,0,0,0,1|2,0,0]=4 184 B9R1.2 COC1=CC=CC(O)=C1 1366571 [0,1,0,0,0,1|1,1,0]=4 185 B9R1.2 COC1=NC=CC(N)=N1 3665290 [0,1,0,0,0,1|2,0,0]=4 186 B9R1.2 CSC1=NC(N)=NC=C1 6373639 [0,1,0,0,0,1|2,0,0]=4 187 B9R1.2 CSC1=NC=CC(Cl)=N1 4053337 [0,1,0,0,0,1|2,0,0]=4 188 B9R1.2 CSC1=NC=CC(N)=N1 3667417 [0,1,0,0,0,1|2,0,0]=4 189 B9R1.2 CSC1=NC=CC(O)=N1 3667578 [0,1,0,0,0,1|1,1,0]=4 190 B9R1.2 ClCC1=CC(Cl)=CC=C1 2048847 [0,1,0,0,0,1|2,0,0]=4 191 B9R1.2 FC1=CC(CCl)=CC=C1 2048769 [0,1,0,0,0,1|2,0,0]=4 192 B9R1.2 NCC1=CC=CC(N)=C1 6922927 [0,1,0,0,0,1|2,0,0]=4 193 B9R1.3 CC1=C(C)C(N)=CC=C1 2826156 [0,1,0,0,0,1|2,0,0]=4 194 B9R1.3 CC1=C(O)C(=O)C=CO1 1528879 [0,1,0,0,0,1|0,1,0]=3 195 B9R1.3 CC1=CC=CC(C)=C1N 3463719 [0,1,0,0,0,1|2,0,0]=4 196 B9R1.3 CC1=CC=CC(C)=C1O 2826178 [0,1,0,0,0,1|2,0,0]=4 197 B9R1.3 CC1=CC=CC(O)=C1C 2826175 [0,1,0,0,0,1|1,1,0]=4 198 B9R1.34 CC1=CC(=O)CC(=O)O1 3354531 [0,1,0,0,0,1|0,1,1]=4 199 B9R1.34 CC1=CC(=O)NC(S)=N1 4434947 [0,1,0,0,0,1|2,0,0]=4 200 B9R1.34 CC1=CC(=S)C=C(C)O1 0107910002 [0,1,0,0,0,1|0,0,1]=3 201 B9R1.34 CC1=CC(Br)=CC(F)=C1 2630801 [0,1,0,0,0,1|2,0,0]=4 202 B9R1.34 CC1=CC(Br)=CC(N)=C1 2125309 [0,1,0,0,0,1|2,0,0]=4 203 B9R1.34 CC1=CC(Br)=CC(O)=C1 2125311 [0,1,0,0,0,1|1,1,0]=4 204 B9R1.34 CC1=CC(C)=CC(C)=C1 2826134 [0,1,0,0,0,1|2,0,0]=4 205 B9R1.34 CC1=CC(C)=CC(N)=C1 2826158 [0,1,0,0,0,1|2,0,0]=4 206 B9R1.34 CC1=CC(C)=CC(O)=C1 2826179 [0,1,0,0,0,1|1,1,0]=4 207 B9R1.34 CC1=CC(C)=NC(C)=C1 2826157 [0,1,0,0,0,1|2,0,0]=4 208 B9R1.34 CC1=CC(C)=NC(S)=N1 5969786 [0,1,0,0,0,1|2,0,0]=4 209 B9R1.34 CC1=CC(O)=CC(=O)N1 3851352 [0,1,0,0,0,1|1,1,0]=4 210 B9R1.34 CC1=CC(O)=CC(=O)O1 2826304 [0,1,0,0,0,1|0,1,0]=3 211 B9R1.34 CC1=CC(O)=CC(O)=C1 7127769 [0,1,0,0,0,1|1,1,0]=4 212 B9R1.34 CC1=NC(Cl)=CC(Cl)=N1 2106145 [0,1,0,0,0,1|2,0,0]=4 213 B9R1.34 CC1=NC(N)=CC(=O)N1 7020361175 [0,1,0,0,0,1|1,1,0]=4 214 B9R1.69 CC1=C(Br)C=CC(Cl)=C1 1907354 [0,1,0,0,0,1|2,0,0]=4 215 B9R1.69 CC1=C(Br)C=CC(N)=C1 2928694 [0,1,0,0,0,1|2,0,0]=4 216 B9R1.69 CC1=C(Br)C=CC(N)=N1 1056226 [0,1,0,0,0,1|2,0,0]=4 217 B9R1.69 CC1=C(C)C=C(N)C=C1 1506569 [0,1,0,0,0,1|2,0,0]=4 218 B9R1.69 CC1=C(Cl)C=CC(N)=C1 1506209 [0,1,0,0,0,1|2,0,0]=4 219 B9R1.69 CC1=C(N)C=CC(Br)=C1 2928695 [0,1,0,0,0,1|2,0,0]=4 220 B9R1.69 CC1=C(N)C=CC(O)=C1 2817340 [0,1,0,0,0,1|1,1,0]=4 221 B9R1.69 CC1=C(O)C=CC(Cl)=C1 2827883 [0,1,0,0,0,1|2,0,0]=4 222 B9R1.69 CC1=C(O)C=CC(F)=C1 2817488 [0,1,0,0,0,1|2,0,0]=4 223 B9R1.69 CC1=C(O)C=CC(O)=C1 3476654 [0,1,0,0,0,1|1,1,0]=4 224 B9R1.69 CC1=CC(Br)=C(F)C=C1 2894081 [0,1,0,0,0,1|2,0,0]=4 225 B9R1.69 CC1=CC(Br)=C(N)C=C1 1362089 [0,1,0,0,0,1|2,0,0]=4 226 B9R1.69 CC1=CC(Br)=C(O)C=C1 7020688430 [0,1,0,0,0,1|2,0,0]=4 227 B9R1.69 CC1=CC(C)=C(C)C=C1 2826135 [0,1,0,0,0,1|2,0,0]=4 228 B9R1.69 CC1=CC(C)=C(N)C=C1 1506500 [0,1,0,0,0,1|2,0,0]=4 229 B9R1.69 CC1=CC(C)=C(O)C=C1 1506502 [0,1,0,0,0,1|2,0,0]=4 230 B9R1.69 CC1=CC(Cl)=C(Cl)C=C1 2832265 [0,1,0,0,0,1|2,0,0]=4 231 B9R1.69 CC1=CC(Cl)=CC=C1F 5023746 [0,1,0,0,0,1|2,0,0]=4 232 B9R1.69 CC1=CC(Cl)=CC=C1N 2827698 [0,1,0,0,0,1|2,0,0]=4 233 B9R1.69 CC1=CC(N)=C(Br)C=C1 3353963 [0,1,0,0,0,1|2,0,0]=4 234 B9R1.69 CC1=CC(N)=C(C)C=C1 1506535 [0,1,0,0,0,1|2,0,0]=4 235 B9R1.69 CC1=CC(N)=C(O)C=C1 2129099 [0,1,0,0,0,1|2,0,0]=4 236 B9R1.69 CC1=CC(N)=CC=C1Br 5980477 [0,1,0,0,0,1|2,0,0]=4 237 B9R1.69 CC1=CC(O)=C(C)C=C1 1506537 [0,1,0,0,0,1|1,1,0]=4 238 B9R1.69 CC1=CC(O)=C(O)C=C1 22430531 [0,1,0,0,0,1|1,1,0]=4 239 B9R1.69 CC1=CC(O)=CC=C1Cl 1506211 [0,1,0,0,0,1|1,1,0]=4 240 B9R1.69 CC1=CC=C(N)C(N)=C1 2128502 [0,1,0,0,0,1|2,0,0]=4 241 B9R1.69 CC1=CC=C(N)C(O)=C1 2826207 [0,1,0,0,0,1|1,1,0]=4 242 B9R1.69 CC1=CC=C(O)C=C1C 1506571 [0,1,0,0,0,1|1,1,0]=4 243 B9R1.15 BrCC1=C(Br)C=CC=C1 4435191 [0,1,0,0,0,1|2,0,0]=4 244 B9R1.15 CC1=C(C#N)C=CC=C1 1901688 [0,1,0,0,0,1|2,0,0]=4 245 B9R1.15 CC1=C(C=O)C=CC=C1 1901705 [0,1,0,0,0,1|1,1,0]=4 246 B9R1.15 CC1=C(CCl)C=CC=C1 2048751 [0,1,0,0,0,1|2,0,0]=4 247 B9R1.15 CC1=C(CN)C=CC=C1 1038609 [0,1,0,0,0,1|2,0,0]=4 248 B9R1.15 CC1=C(CO)N=CC=C1 2817350 [0,1,0,0,0,1|1,1,0]=4 249 B9R1.15 CC1=CC=CN=C1C#N 22430609 [0,1,0,0,0,1|2,0,0]=4 250 B9R1.15 CC1=CC=CN=C1NN 1033422 [0,1,0,0,0,1|2,0,0]=4 251 B9R1.15 CCC1=C(N)C=CC=C1 2826161 [0,1,0,0,0,1|2,0,0]=4 252 B9R1.15 CCC1=C(O)C=CC=C1 2826180 [0,1,0,0,0,1|1,1,0]=4 253 B9R1.15 CNC1=CC=CC=C1N 6871417 [0,1,0,0,0,1|2,0,0]=4 254 B9R1.15 COC1=C(Br)C=CC=C1 1287441 [0,1,0,0,0,1|2,0,0]=4 255 B9R1.15 COC1=C(C)C=CC=C1 2826177 [0,1,0,0,0,1|1,1,0]=4 256 B9R1.15 COC1=C(Cl)C=CC=C1 2827881 [0,1,0,0,0,1|2,0,0]=4 257 B9R1.15 COC1=C(F)C=CC=C1 2826313 [0,1,0,0,0,1|2,0,0]=4 258 B9R1.15 COC1=C(N)C=CC=C1 1314580 [0,1,0,0,0,1|2,0,0]=4 259 B9R1.15 COC1=C(O)C=CC=C1 2826229 [0,1,0,0,0,1|1,1,0]=4 260 B9R1.15 COC1=CC=CN=C1N 1514805 [0,1,0,0,0,1|2,0,0]=4 261 B9R1.15 CSC1=CC=CC=C1Br 22430606 [0,1,0,0,0,1|2,0,0]=4 262 B9R1.15 ClCC1=C(Cl)C=CC=C1 2048846 [0,1,0,0,0,1|2,0,0]=4 263 B9R1.15 FC1=CC=CC=C1CCl 2048768 [0,1,0,0,0,1|2,0,0]=4 264 B9R1.15 NCC1=C(Cl)C=CC=C1 1038613 [0,1,0,0,0,1|2,0,0]=4 265 B9R1.15 NCC1=C(F)C=CC=C1 7020330618 [0,1,0,0,0,1|2,0,0]=4 266 B9R1.15 NCC1=C(F)C=CC=N1 5027490 [0,1,0,0,0,1|2,0,0]=4 267 B9R1.15 OCC1=C(Cl)C=CC=C1 2048757 [0,1,0,0,0,1|2,0,0]=4 268 B9R1.15 OCC1=C(Cl)N=CC=C1 2819188 [0,1,0,0,0,1|2,0,0]=4 269 B9R1.15 OCC1=CC=CC=C1Br 2049225 [0,1,0,0,0,1|2,0,0]=4 270 B9R1.15 OCC1=NC=CC=C1Br 11186520 [0,1,0,0,0,1|2,0,0]=4 271 B9R1.27 CC1=NOC(C)=C1CCl 2828545 [0,2,0,0,0,0|2,0,0]=4 272 B9R1.27 CC1=NOC(C)=C1CN 6137596 [0,2,0,0,0,0|2,0,0]=4 273 B9R1.132 CC1=C(C)C(CN)=CS1 1210101 [0,2,0,0,0,0|1,1,0]=4 274 B7R1.3 CC1=CC=CC=C1 3585912 [0,0,1,1,0,0|2,0,0]=4 275 B7R1.3 CC1=CN=CC=C1 2825453 [0,0,1,1,0,0|2,0,0]=4 276 B7R1.3 CC1=NC=CC=C1 2825451 [0,0,1,1,0,0|2,0,0]=4 277 B7R1.3 CC1=NC=CN=C1 2816692 [0,0,1,1,0,0|2,0,0]=4 278 B7R1.3 SC1=CC=CC=C1 2825764 [0,0,1,1,0,0|1,0,1]=4