0 B7R1.1 BrCC1=NC=CS1 4044498 [0,0,0,0,0,0|2,1,0]=3 1 B7R1.1 BrCC1=NOC=N1 4045633 [0,0,0,0,0,0|4,0,0]=4 2 B7R1.1 CCC1=CNN=C1 4044718 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.1 CCC1=NN=NN1 4035251 [0,0,0,0,0,0|4,0,0]=4 4 B7R1.1 CCC1=NNC=C1 4042936 [0,0,0,0,0,0|2,0,0]=2 5 B7R1.1 CCC1=NNC=N1 4034840 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.1 CCC1C=CCN1 4030606 [0,0,0,0,0,0|1,0,2]=3 7 B7R1.1 ClCC1=CN=CS1 4901510 [0,0,0,0,0,0|2,1,0]=3 8 B7R1.1 ClCC1=CNC=N1 4014209 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.1 ClCC1=CSC=N1 4034757 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.1 ClCC1=NC=CS1 4016914 [0,0,0,0,0,0|2,1,0]=3 11 B7R1.1 N#CC1=CN=CS1 4045875 [0,0,0,0,0,0|2,1,1]=4 12 B7R1.1 NCC1=CC=NN1 2102294 [0,0,0,0,0,0|3,0,0]=3 13 B7R1.1 NCC1=CC=NO1 2102257 [0,0,0,0,0,0|2,0,0]=2 14 B7R1.1 NCC1=CSC=C1 4089439 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.1 NCC1=CSC=C1 4100798 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.1 NCC1=CSC=N1 2102330 [0,0,0,0,0,0|3,0,0]=3 17 B7R1.1 NCC1=NC=CN1 4087964 [0,0,0,0,0,0|3,0,0]=3 18 B7R1.1 NCC1=NC=CN1 4101394 [0,0,0,0,0,0|3,0,0]=3 19 B7R1.1 NCC1=NC=CS1 2102321 [0,0,0,0,0,0|2,1,0]=3 20 B7R1.1 NCC1=NC=NN1 2102311 [0,0,0,0,0,0|4,0,0]=4 21 B7R1.1 NCC1=NOC=N1 2102272 [0,0,0,0,0,0|4,0,0]=4 22 B7R1.1 OCC1=CNN=C1 4043566 [0,0,0,0,0,0|4,0,0]=4 23 B7R1.1 OCC1=NC=NN1 4110650 [0,0,0,0,0,0|4,0,0]=4 24 B7R1.1 OCC1C=CCN1 4029232 [0,0,0,0,0,0|2,0,2]=4 25 B6R1.2 BrC1=CSC=N1 4108309 [1,0,0,0,0,0|3,0,0]=4 26 B6R1.2 BrC1=NC=CO1 4039122 [1,0,0,0,0,0|2,0,0]=3 27 B6R1.2 CC1=NNC=N1 4035655 [1,0,0,0,0,0|3,0,0]=4 28 B6R1.2 NC1=NN=CO1 4044829 [1,0,0,0,0,0|3,0,0]=4 29 B6R1.2 NC1=NOC=C1 4034713 [1,0,0,0,0,0|3,0,0]=4 30 B6R1.2 O=C1NC=CN1 4029600 [1,0,0,0,0,0|3,0,0]=4 31 B6R1.2 OC1=NN=CO1 4044051 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.1 CC1=CC=C(C#N)N1 4043367 [0,1,0,0,0,0|2,0,1]=4 33 B8R1.1 CC1=CC=C(C=O)N1 4036670 [0,1,0,0,0,0|2,0,1]=4 34 B8R1.1 CC1=CC=C(CN)S1 4100660 [0,1,0,0,0,0|1,1,0]=3 35 B8R1.1 CC1=CNC(CN)=N1 4101883 [0,1,0,0,0,0|3,0,0]=4 36 B8R1.1 CC1=CSC(CCl)=N1 4016915 [0,1,0,0,0,0|2,1,0]=4 37 B8R1.1 CC1=CSC(CN)=N1 4088048 [0,1,0,0,0,0|2,1,0]=4 38 B8R1.1 CC1=CSC(CN)=N1 4101545 [0,1,0,0,0,0|2,1,0]=4 39 B8R1.1 CC1=CSC(CO)=N1 4021474 [0,1,0,0,0,0|2,1,0]=4 40 B8R1.1 CC1=CSC(CO)=N1 4089181 [0,1,0,0,0,0|2,1,0]=4 41 B8R1.1 CC1=NC(CCl)=CS1 4034726 [0,1,0,0,0,0|3,0,0]=4 42 B8R1.1 CC1=NC(CN)=CS1 4089522 [0,1,0,0,0,0|3,0,0]=4 43 B8R1.1 CC1=NC(CN)=CS1 4101061 [0,1,0,0,0,0|3,0,0]=4 44 B8R1.1 CC1=NC(CO)=CO1 4037087 [0,1,0,0,0,0|3,0,0]=4 45 B8R1.1 CC1=NC(CO)=CS1 4016970 [0,1,0,0,0,0|3,0,0]=4 46 B8R1.1 CC1=NN=C(CCl)O1 4011029 [0,1,0,0,0,0|3,0,0]=4 47 B8R1.1 CC1=NN=C(CN)O1 4101407 [0,1,0,0,0,0|3,0,0]=4 48 B8R1.1 CC1=NN=C(CO)O1 4012867 [0,1,0,0,0,0|3,0,0]=4 49 B8R1.1 CC1=NNC(CN)=C1 4004582 [0,1,0,0,0,0|3,0,0]=4 50 B8R1.1 CC1=NNC(CO)=C1 9071105 [0,1,0,0,0,0|3,0,0]=4 51 B8R1.1 CC1=NOC(C#N)=C1 4040669 [0,1,0,0,0,0|2,0,1]=4 52 B8R1.1 CC1=NOC(C=O)=C1 4034847 [0,1,0,0,0,0|2,0,1]=4 53 B8R1.1 CC1=NOC(CCl)=C1 4003178 [0,1,0,0,0,0|2,0,0]=3 54 B8R1.1 CC1=NOC(CCl)=N1 4032896 [0,1,0,0,0,0|3,0,0]=4 55 B8R1.1 CC1=NOC(CN)=C1 4100870 [0,1,0,0,0,0|2,0,0]=3 56 B8R1.1 CC1=NOC(CO)=C1 4003172 [0,1,0,0,0,0|2,0,0]=3 57 B8R1.1 CC1=NOC(CO)=N1 4033684 [0,1,0,0,0,0|3,0,0]=4 58 B8R1.1 CCC1=CC(O)=NN1 4042794 [0,1,0,0,0,0|2,0,0]=3 59 B8R1.1 CCC1=CSC(N)=N1 4108214 [0,1,0,0,0,0|2,0,0]=3 60 B8R1.1 CCC1=NC(Br)=NN1 4035216 [0,1,0,0,0,0|3,0,0]=4 61 B8R1.1 CCC1=NC(Br)=NO1 4041463 [0,1,0,0,0,0|2,0,0]=3 62 B8R1.1 CCC1=NC(Cl)=NO1 4041485 [0,1,0,0,0,0|2,0,0]=3 63 B8R1.1 CCC1=NN=C(Cl)S1 4044569 [0,1,0,0,0,0|2,1,0]=4 64 B8R1.1 CCC1=NN=C(O)O1 4040660 [0,1,0,0,0,0|2,0,0]=3 65 B8R1.1 CCC1=NN=C(O)S1 4044155 [0,1,0,0,0,0|2,1,0]=4 66 B8R1.1 CCC1=NNC(N)=N1 4026969 [0,1,0,0,0,0|3,0,0]=4 67 B8R1.1 CCC1=NOC(N)=N1 4035725 [0,1,0,0,0,0|3,0,0]=4 68 B8R1.1 CCC1=NOC(O)=N1 4042769 [0,1,0,0,0,0|3,0,0]=4 69 B8R1.1 CCN1C=C(Br)C=N1 4033612 [0,1,0,0,0,0|2,0,0]=3 70 B8R1.1 CCN1C=C(N)C=N1 4029452 [0,1,0,0,0,0|2,0,0]=3 71 B8R1.1 CCN1C=C(N)N=N1 4013408 [0,1,0,0,0,0|3,0,0]=4 72 B8R1.1 CCN1C=CC(N)=N1 4031413 [0,1,0,0,0,0|2,0,0]=3 73 B8R1.1 CCN1C=NC(N)=N1 4002753 [0,1,0,0,0,0|3,0,0]=4 74 B8R1.1 CCN1N=CC(N)=N1 4006207 [0,1,0,0,0,0|3,0,0]=4 75 B8R1.1 N#CC1=CC(Br)=CN1 4045366 [0,1,0,0,0,0|2,0,1]=4 76 B8R1.1 NCC1=CC=C(Br)S1 4089738 [0,1,0,0,0,0|1,1,0]=3 77 B8R1.1 NCC1=CC=C(Br)S1 4191314 [0,1,0,0,0,0|1,1,0]=3 78 B8R1.1 NCC1=CSC(N)=N1 4010279 [0,1,0,0,0,0|3,0,0]=4 79 B8R1.1 O=CC1=CC(Br)=CN1 4004367 [0,1,0,0,0,0|2,0,1]=4 80 B8R1.1 OCC1=CSC(Br)=N1 4030768 [0,1,0,0,0,0|3,0,0]=4 81 B8R1.7 CC(=O)C1=NC=CN1 4040695 [0,1,0,0,0,0|2,0,1]=4 82 B8R1.7 CC(C)C1=CNN=C1 4039228 [0,1,0,0,0,0|3,0,0]=4 83 B8R1.7 CC(C)C1=NNC=N1 4035762 [0,1,0,0,0,0|3,0,0]=4 84 B8R1.7 CC(C)C1C=CCN1 4030034 [0,1,0,0,0,0|1,0,2]=4 85 B8R1.7 CC(N)C1=CC=CS1 4100658 [0,1,0,0,0,0|0,1,0]=2 86 B8R1.7 CC(N)C1=CSC=C1 4100800 [0,1,0,0,0,0|2,0,0]=3 87 B8R1.7 CC(N)C1=NC=CN1 4040236 [0,1,0,0,0,0|2,0,0]=3 88 B8R1.7 CC(N)C1=NC=CS1 2102323 [0,1,0,0,0,0|1,1,0]=3 89 B8R1.7 CC(N)C1=NC=NN1 2102313 [0,1,0,0,0,0|3,0,0]=4 90 B8R1.7 N=C(N)C1=CC=CO1 4030998 [0,1,0,0,0,0|1,0,1]=3 91 B8R1.8 BrCCN1C=CC=N1 4016104 [0,1,0,0,0,0|2,0,0]=3 92 B8R1.8 BrCCN1C=CN=C1 4010927 [0,1,0,0,0,0|3,0,0]=4 93 B8R1.8 BrCCN1C=NC=N1 4010929 [0,1,0,0,0,0|3,0,0]=4 94 B8R1.8 CCCC1=CNN=C1 4044489 [0,1,0,0,0,0|3,0,0]=4 95 B8R1.8 CCCC1=NNC=N1 4040033 [0,1,0,0,0,0|3,0,0]=4 96 B8R1.8 CCCC1C=CCN1 4029126 [0,1,0,0,0,0|1,0,2]=4 97 B8R1.8 CNCC1=CC=CO1 2102243 [0,1,0,0,0,0|0,0,0]=1 98 B8R1.8 CNCC1=CC=CS1 4100657 [0,1,0,0,0,0|0,1,0]=2 99 B8R1.8 CNCC1=CC=NN1 2102295 [0,1,0,0,0,0|2,0,0]=3 100 B8R1.8 CNCC1=CSC=C1 4100799 [0,1,0,0,0,0|2,0,0]=3 101 B8R1.8 CNCC1=CSC=N1 2102331 [0,1,0,0,0,0|2,0,0]=3 102 B8R1.8 CNCC1=NC=CN1 4101395 [0,1,0,0,0,0|2,0,0]=3 103 B8R1.8 CNCC1=NC=CS1 2102322 [0,1,0,0,0,0|1,1,0]=3 104 B8R1.8 CNCC1=NOC=N1 2102273 [0,1,0,0,0,0|3,0,0]=4 105 B8R1.8 COCC1=NNC=N1 4036227 [0,1,0,0,0,0|3,0,0]=4 106 B8R1.8 ClCCC1=CNN=C1 4013290 [0,1,0,0,0,0|3,0,0]=4 107 B8R1.8 ClCCC1=NC=CN1 4045713 [0,1,0,0,0,0|2,0,0]=3 108 B8R1.8 ClCCN1C=CC=N1 4017546 [0,1,0,0,0,0|2,0,0]=3 109 B8R1.8 ClCCN1C=NC=N1 4010918 [0,1,0,0,0,0|3,0,0]=4 110 B8R1.8 NCCC1=CC=CO1 4100671 [0,1,0,0,0,0|0,0,0]=1 111 B8R1.8 NCCC1=CC=NN1 4003532 [0,1,0,0,0,0|2,0,0]=3 112 B8R1.8 NCCC1=CN=NN1 4036642 [0,1,0,0,0,0|3,0,0]=4 113 B8R1.8 NCCC1=CNN=C1 4101520 [0,1,0,0,0,0|3,0,0]=4 114 B8R1.8 NCCC1=CSC=N1 4004027 [0,1,0,0,0,0|2,0,0]=3 115 B8R1.8 NCCC1=NC=CN1 4013124 [0,1,0,0,0,0|2,0,0]=3 116 B8R1.8 NCCC1=NC=CS1 4100726 [0,1,0,0,0,0|1,1,0]=3 117 B8R1.8 NCCN1C=CC=C1 4028584 [0,1,0,0,0,0|2,0,0]=3 118 B8R1.8 NCCN1C=CC=N1 2102292 [0,1,0,0,0,0|2,0,0]=3 119 B8R1.8 NCCN1C=CC=N1 4087747 [0,1,0,0,0,0|2,0,0]=3 120 B8R1.8 NCCN1C=CN=C1 4100002 [0,1,0,0,0,0|3,0,0]=4 121 B8R1.8 NCCN1C=CN=N1 4035308 [0,1,0,0,0,0|3,0,0]=4 122 B8R1.8 NCCN1C=NC=N1 2102316 [0,1,0,0,0,0|3,0,0]=4 123 B8R1.8 NCCN1C=NC=N1 4088664 [0,1,0,0,0,0|3,0,0]=4 124 B8R1.8 NNCC1=CC=CS1 4044222 [0,1,0,0,0,0|1,1,0]=3 125 B8R1.8 OCCC1=CNN=C1 4000128 [0,1,0,0,0,0|3,0,0]=4 126 B8R1.8 OCCC1=CON=C1 4009737 [0,1,0,0,0,0|3,0,0]=4 127 B8R1.8 OCCC1=NOC=N1 4045443 [0,1,0,0,0,0|3,0,0]=4 128 B8R1.8 OCCN1C=CC=N1 4027736 [0,1,0,0,0,0|2,0,0]=3 129 B8R1.8 OCCN1C=NC=N1 4010917 [0,1,0,0,0,0|3,0,0]=4 130 B8R1.11 CC1=C(CBr)SC=N1 4079532 [0,1,0,0,0,0|2,1,0]=4 131 B8R1.11 CC1=C(CCl)N=CN1 9071243 [0,1,0,0,0,0|3,0,0]=4 132 B8R1.11 CC1=C(CCl)N=CS1 4042701 [0,1,0,0,0,0|3,0,0]=4 133 B8R1.11 CC1=C(CCl)SC=N1 4016923 [0,1,0,0,0,0|2,1,0]=4 134 B8R1.11 CC1=C(CN)NC=N1 4102345 [0,1,0,0,0,0|3,0,0]=4 135 B8R1.11 CC1=C(CN)SC=C1 4004093 [0,1,0,0,0,0|1,1,0]=3 136 B8R1.11 CC1=C(CO)N=CO1 4036331 [0,1,0,0,0,0|3,0,0]=4 137 B8R1.11 CC1=C(CO)N=CS1 4043765 [0,1,0,0,0,0|3,0,0]=4 138 B8R1.11 CC1=C(CO)SC=N1 4027152 [0,1,0,0,0,0|2,1,0]=4 139 B8R1.11 CCC1=NNC=C1Br 4043791 [0,1,0,0,0,0|2,0,0]=3 140 B8R1.11 CCN1C=CN=C1Br 4042873 [0,1,0,0,0,0|3,0,0]=4 141 B8R1.11 CCN1N=CC=C1Br 4043527 [0,1,0,0,0,0|2,0,0]=3 142 B8R1.11 CCN1N=CN=C1Br 4043262 [0,1,0,0,0,0|3,0,0]=4 143 B8R1.11 CCN1N=CN=C1N 4006204 [0,1,0,0,0,0|3,0,0]=4 144 B8R1.11 CN1C=CN=C1CBr 4040171 [0,1,0,0,0,0|3,0,0]=4 145 B8R1.11 CN1C=CN=C1CN 4101359 [0,1,0,0,0,0|3,0,0]=4 146 B8R1.11 CN1C=NC=C1CCl 4016579 [0,1,0,0,0,0|3,0,0]=4 147 B8R1.11 CN1N=CC=C1CCl 4045487 [0,1,0,0,0,0|3,0,0]=4 148 B6R0.1 C=CCC(O)CN 4080175 [0,0,1,0,0,0|1,0,2]=4 149 B6R0.6 C=CCNCCC 4031693 [0,0,1,0,0,0|1,0,2]=4 150 B8R1.2 BrCC1=CN=CC=C1 4034752 [0,0,0,0,0,1|2,0,0]=3 151 B8R1.2 ClCC1=NC=CC=N1 4009659 [0,0,0,0,0,1|2,0,0]=3 152 B8R1.2 N#CC1=CC=CN=N1 4036463 [0,0,0,0,0,1|2,0,1]=4 153 B8R1.2 NNC1=CC=CN=C1 4019584 [0,0,0,0,0,1|3,0,0]=4 154 B8R1.2 NNC1=CC=NC=C1 4100548 [0,0,0,0,0,1|3,0,0]=4 155 B8R1.2 NNC1=NC=CC=N1 4088465 [0,0,0,0,0,1|3,0,0]=4 156 B8R1.2 NNC1=NC=CC=N1 4100952 [0,0,0,0,0,1|3,0,0]=4 157 B5R1.1 C1=CSN=C1 4036435 [2,0,0,0,0,0|1,1,0]=4 158 B7R1.2 CC1=NC(Br)=NO1 4039731 [1,1,0,0,0,0|2,0,0]=4 159 B7R1.2 CC1=NC(Cl)=NO1 4039985 [1,1,0,0,0,0|2,0,0]=4 160 B7R1.2 CC1=NC(N)=NO1 4014408 [1,1,0,0,0,0|2,0,0]=4 161 B7R1.2 CC1=NN=C(N)O1 4013100 [1,1,0,0,0,0|2,0,0]=4 162 B7R1.2 CC1=NN=C(O)O1 4040622 [1,1,0,0,0,0|2,0,0]=4 163 B7R1.2 CC1=NN=C(S)O1 4110496 [1,1,0,0,0,0|2,0,0]=4 164 B7R1.2 CC1=NNC(Br)=C1 4074511 [1,1,0,0,0,0|2,0,0]=4 165 B7R1.2 CC1=NNC(Cl)=C1 4029847 [1,1,0,0,0,0|2,0,0]=4 166 B7R1.2 CN1C=C(Br)C=N1 4004341 [1,1,0,0,0,0|2,0,0]=4 167 B7R1.2 CN1C=C(N)C=N1 4019265 [1,1,0,0,0,0|2,0,0]=4 168 B7R1.2 CN1C=C(N)C=N1 4089175 [1,1,0,0,0,0|2,0,0]=4 169 B7R1.2 CN1C=CC(Br)=N1 4036169 [1,1,0,0,0,0|2,0,0]=4 170 B7R1.2 NC1=CC(O)=NO1 4085320 [1,1,0,0,0,0|2,0,0]=4 171 B7R1.4 CC1=C(Br)N=CS1 4040458 [1,1,0,0,0,0|1,1,0]=4 172 B7R1.4 CC1=C(N)C=NN1 4033144 [1,1,0,0,0,0|2,0,0]=4 173 B7R1.4 CC1=NNC=C1Cl 4045387 [1,1,0,0,0,0|2,0,0]=4 174 B7R1.4 CN1N=CC=C1Br 4035636 [1,1,0,0,0,0|2,0,0]=4 175 B9R1.1 CC1=CN=C(CO)C=N1 4037601 [0,1,0,0,0,1|2,0,0]=4 176 B9R1.1 CC1=NC=C(CCl)N=C1 4081395 [0,1,0,0,0,1|2,0,0]=4 177 B9R1.1 CCC1=CN=C(O)N=C1 4044733 [0,1,0,0,0,1|2,0,0]=4 178 B9R1.1 CNC1=NC=C(Br)C=C1 4031713 [0,1,0,0,0,1|2,0,0]=4 179 B9R1.1 CNC1=NC=C(I)C=C1 4087606 [0,1,0,0,0,1|2,0,0]=4 180 B9R1.1 CNC1=NN=C(Br)C=C1 4035399 [0,1,0,0,0,1|2,0,0]=4 181 B9R1.1 COC1=NN=C(Br)C=C1 4040879 [0,1,0,0,0,1|2,0,0]=4 182 B9R1.1 CSC1=CN=C(Br)C=C1 4028893 [0,1,0,0,0,1|2,0,0]=4 183 B9R1.1 N#CC1=COC(=O)C=C1 4076346 [0,1,0,0,0,1|1,0,1]=4 184 B9R1.1 NCC1=NC=C(Cl)C=N1 4042491 [0,1,0,0,0,1|2,0,0]=4 185 B9R1.2 CC1=CC(CN)=NC=C1 4018186 [0,1,0,0,0,1|2,0,0]=4 186 B9R1.2 CC1=CC=CC(CCl)=N1 4006197 [0,1,0,0,0,1|2,0,0]=4 187 B9R1.2 CC1=CC=CC(CCl)=N1 4087831 [0,1,0,0,0,1|2,0,0]=4 188 B9R1.2 CC1=CC=CC(CN)=N1 4102566 [0,1,0,0,0,1|2,0,0]=4 189 B9R1.2 CC1=CC=NC(CN)=N1 4102709 [0,1,0,0,0,1|2,0,0]=4 190 B9R1.2 CC1=NC(CO)=CC=N1 4044516 [0,1,0,0,0,1|2,0,0]=4 191 B9R1.2 CC1=NC=CC(CCl)=C1 4046381 [0,1,0,0,0,1|2,0,0]=4 192 B9R1.2 CC1=NC=CC(CN)=C1 4019509 [0,1,0,0,0,1|2,0,0]=4 193 B9R1.2 CCC1=CC(N)=NC=N1 4037576 [0,1,0,0,0,1|1,0,0]=3 194 B9R1.2 CCC1=CC(O)=NC=N1 4038765 [0,1,0,0,0,1|1,0,0]=3 195 B9R1.2 CNC1=NC(Br)=CN=C1 4041525 [0,1,0,0,0,1|2,0,0]=4 196 B9R1.2 CNC1=NC(Cl)=NC=C1 4026366 [0,1,0,0,0,1|2,0,0]=4 197 B9R1.2 COC1=CC(Cl)=NC=N1 4016719 [0,1,0,0,0,1|2,0,0]=4 198 B9R1.2 CSC1=NC(Cl)=CC=C1 4030827 [0,1,0,0,0,1|2,0,0]=4 199 B9R1.2 ClCC1=NC(Cl)=CC=C1 4036655 [0,1,0,0,0,1|2,0,0]=4 200 B9R1.2 NC1=CC(CO)=CC=N1 4027705 [0,1,0,0,0,1|2,0,0]=4 201 B9R1.2 NCC1=CC(Cl)=NC=C1 4033586 [0,1,0,0,0,1|2,0,0]=4 202 B9R1.2 NCC1=CC(O)=NC=N1 4034681 [0,1,0,0,0,1|2,0,0]=4 203 B9R1.2 OCC1=CC(Cl)=NC=C1 4031779 [0,1,0,0,0,1|2,0,0]=4 204 B9R1.2 OCC1=NC=CC(Cl)=C1 4014670 [0,1,0,0,0,1|2,0,0]=4 205 B9R1.8 BrCCC1=CC=CN=C1 4054467 [0,1,0,0,0,1|1,0,0]=3 206 B9R1.8 BrCCC1=NC=CC=C1 4028495 [0,1,0,0,0,1|1,0,0]=3 207 B9R1.8 BrCCC1=NC=CC=C1 4090022 [0,1,0,0,0,1|1,0,0]=3 208 B9R1.8 CNCC1=CC=CC=N1 4004537 [0,1,0,0,0,1|1,0,0]=3 209 B9R1.8 CNCC1=NC=NC=C1 4102726 [0,1,0,0,0,1|1,0,0]=3 210 B9R1.8 NCCC1=CC=CN=C1 4005651 [0,1,0,0,0,1|1,0,0]=3 211 B9R1.8 NCCC1=NC=CN=C1 4003591 [0,1,0,0,0,1|1,0,0]=3 212 B9R1.8 NCCC1=NC=CN=C1 4091207 [0,1,0,0,0,1|1,0,0]=3 213 B9R1.15 CC1=C(CBr)N=CC=C1 4061731 [0,1,0,0,0,1|2,0,0]=4 214 B9R1.15 CC1=C(CCl)C=CN=C1 4108233 [0,1,0,0,0,1|2,0,0]=4 215 B9R1.15 CC1=C(CCl)N=CC=C1 4002155 [0,1,0,0,0,1|2,0,0]=4 216 B9R1.15 CC1=C(CN)C=CN=C1 4010335 [0,1,0,0,0,1|2,0,0]=4 217 B9R1.15 CC1=NC=CC=C1CCl 4048084 [0,1,0,0,0,1|2,0,0]=4 218 B9R1.15 CC1=NC=CN=C1CCl 4036445 [0,1,0,0,0,1|2,0,0]=4 219 B9R1.15 CC1=NC=CN=C1CO 4036444 [0,1,0,0,0,1|2,0,0]=4 220 B9R1.15 CCC1=NC=CNC1=O 4045735 [0,1,0,0,0,1|1,0,0]=3 221 B9R1.15 CNC1=C(N)C=CC=N1 4045715 [0,1,0,0,0,1|2,0,0]=4 222 B9R1.15 CNC1=NC=CN=C1Cl 4043851 [0,1,0,0,0,1|2,0,0]=4 223 B9R1.15 COC1=C(Cl)N=CC=C1 4034759 [0,1,0,0,0,1|2,0,0]=4 224 B9R1.15 CSC1=CC=CN=C1Br 4074696 [0,1,0,0,0,1|2,0,0]=4 225 B9R1.15 NCC1=CC=CC=C1Br 4108297 [0,1,0,0,0,1|2,0,0]=4 226 B9R1.15 NCC1=CC=CN=C1N 4037637 [0,1,0,0,0,1|2,0,0]=4 227 B9R1.15 NCC1=NC=CC=C1Cl 4038421 [0,1,0,0,0,1|2,0,0]=4 228 B9R1.15 O=C1NC=CC=C1CO 4021172 [0,1,0,0,0,1|2,0,0]=4 229 B9R1.7 CC1=CC=C(CCN)O1 4004579 [0,2,0,0,0,0|0,0,0]=2 230 B9R1.7 CC1=CN(CCN)N=C1 4026810 [0,2,0,0,0,0|2,0,0]=4 231 B9R1.7 CC1=CN(CCO)N=C1 4027774 [0,2,0,0,0,0|2,0,0]=4 232 B9R1.7 CC1=CSC(CCN)=N1 4004037 [0,2,0,0,0,0|1,1,0]=4 233 B9R1.7 CC1=NC(CCCl)=CS1 4028614 [0,2,0,0,0,0|2,0,0]=4 234 B9R1.7 CC1=NC(CCO)=CS1 4026097 [0,2,0,0,0,0|2,0,0]=4 235 B9R1.7 CC1=NN(CCBr)C=C1 4001944 [0,2,0,0,0,0|2,0,0]=4 236 B9R1.7 CC1=NN(CCCl)C=C1 4014435 [0,2,0,0,0,0|2,0,0]=4 237 B9R1.7 CC1=NN(CCN)C=C1 4108972 [0,2,0,0,0,0|2,0,0]=4 238 B9R1.7 CC1=NN(CCO)C=C1 4027119 [0,2,0,0,0,0|2,0,0]=4 239 B9R1.7 CC1=NOC(CC#N)=C1 4041101 [0,2,0,0,0,0|1,0,1]=4 240 B9R1.7 CCCC1=NC(Br)=NO1 4039847 [0,2,0,0,0,0|2,0,0]=4 241 B9R1.7 CCCC1=NC(N)=NO1 4040751 [0,2,0,0,0,0|2,0,0]=4 242 B9R1.7 CCCC1=NC=C(Br)N1 4043150 [0,2,0,0,0,0|2,0,0]=4 243 B9R1.7 CCCC1=NN=C(N)O1 4025567 [0,2,0,0,0,0|2,0,0]=4 244 B9R1.7 CCCN1C=C(N)C=N1 4036149 [0,2,0,0,0,0|2,0,0]=4 245 B9R1.7 CCOC1=CC(C)=NN1 4028938 [0,2,0,0,0,0|2,0,0]=4 246 B9R1.7 CNCC1=CC(C)=NO1 4100871 [0,2,0,0,0,0|1,0,0]=3 247 B9R1.7 CNCC1=CC=C(C)O1 4004552 [0,2,0,0,0,0|0,0,0]=2 248 B9R1.7 CNCC1=CC=C(C)S1 4088696 [0,2,0,0,0,0|0,1,0]=3 249 B9R1.7 CNCC1=CC=C(C)S1 4100661 [0,2,0,0,0,0|0,1,0]=3 250 B9R1.7 CNCC1=CSC(C)=N1 4101062 [0,2,0,0,0,0|2,0,0]=4 251 B9R1.7 CNCC1=NC(C)=CN1 4101884 [0,2,0,0,0,0|2,0,0]=4 252 B9R1.7 CNCC1=NC(C)=CS1 4101071 [0,2,0,0,0,0|1,1,0]=4 253 B9R1.7 CNCC1=NC(C)=NO1 4102647 [0,2,0,0,0,0|2,0,0]=4 254 B9R1.7 CNCC1=NN=C(C)O1 4101408 [0,2,0,0,0,0|2,0,0]=4 255 B9R1.7 CNCC1=NNC(C)=C1 4002231 [0,2,0,0,0,0|2,0,0]=4 256 B9R1.7 CNCC1=NOC(C)=C1 4003549 [0,2,0,0,0,0|2,0,0]=4 257 B9R1.7 COCC1=NN=C(N)O1 4041599 [0,2,0,0,0,0|2,0,0]=4 258 B9R1.7 ClC1=CN(CCBr)N=C1 4010925 [0,2,0,0,0,0|2,0,0]=4 259 B9R1.7 NC1=NC(CCO)=CS1 4026104 [0,2,0,0,0,0|2,0,0]=4 260 B9R1.7 NCCC1=CSC(N)=N1 4010280 [0,2,0,0,0,0|2,0,0]=4 261 B9R1.7 NCCN1C=C(Cl)C=N1 4031697 [0,2,0,0,0,0|2,0,0]=4 262 B9R1.7 OCCN1C=C(Cl)C=N1 4027668 [0,2,0,0,0,0|2,0,0]=4 263 B9R1.21 CCC1=CSC(CN)=N1 4012852 [0,2,0,0,0,0|2,0,0]=4 264 B9R1.21 CCC1=CSC(CN)=N1 4090435 [0,2,0,0,0,0|2,0,0]=4 265 B9R1.21 CCC1=NC(CBr)=NO1 4045749 [0,2,0,0,0,0|2,0,0]=4 266 B9R1.21 CCC1=NC(CCl)=CS1 4027281 [0,2,0,0,0,0|1,1,0]=4 267 B9R1.21 CCC1=NC(CCl)=NO1 4013190 [0,2,0,0,0,0|2,0,0]=4 268 B9R1.21 CCC1=NC(CN)=CS1 4012854 [0,2,0,0,0,0|1,1,0]=4 269 B9R1.21 CCC1=NC(CN)=NO1 4013191 [0,2,0,0,0,0|2,0,0]=4 270 B9R1.21 CCC1=NC(CO)=CS1 4028593 [0,2,0,0,0,0|1,1,0]=4 271 B9R1.21 CCC1=NC(CO)=NO1 4013199 [0,2,0,0,0,0|2,0,0]=4 272 B9R1.21 CCC1=NNC(C=O)=C1 4041328 [0,2,0,0,0,0|2,0,0]=4 273 B9R1.21 CCC1=NOC(C#N)=C1 4039895 [0,2,0,0,0,0|2,0,0]=4 274 B9R1.21 CCC1=NOC(C=O)=C1 4035019 [0,2,0,0,0,0|2,0,0]=4 275 B9R1.21 CCC1=NOC(CCl)=C1 4031170 [0,2,0,0,0,0|2,0,0]=4 276 B9R1.21 CCC1=NOC(CN)=C1 4004849 [0,2,0,0,0,0|2,0,0]=4 277 B9R1.21 CCC1=NOC(CO)=C1 4012491 [0,2,0,0,0,0|2,0,0]=4 278 B9R1.21 CCN1C=C(C#N)C=N1 4036314 [0,2,0,0,0,0|2,0,0]=4 279 B9R1.21 CCN1C=C(C=O)C=N1 4003132 [0,2,0,0,0,0|2,0,0]=4 280 B9R1.21 CCN1C=C(CCl)C=N1 4015187 [0,2,0,0,0,0|2,0,0]=4 281 B9R1.21 CCN1C=C(CN)C=N1 4001669 [0,2,0,0,0,0|2,0,0]=4 282 B9R1.21 CCN1C=C(CO)C=N1 4036385 [0,2,0,0,0,0|2,0,0]=4 283 B9R1.21 CCN1C=CC(C#N)=N1 4040120 [0,2,0,0,0,0|2,0,0]=4 284 B9R1.21 CCN1C=CC(CCl)=N1 4045465 [0,2,0,0,0,0|2,0,0]=4 285 B9R1.21 N1C(C#N)=CC=C1CC 4045041 [0,2,0,0,0,0|1,0,0]=3 286 B9R1.21 N1C(C=O)=CC=C1CC 4043976 [0,2,0,0,0,0|1,0,0]=3 287 B9R1.22 CC1=NC(C)=C(CO)O1 4036291 [0,2,0,0,0,0|2,0,0]=4 288 B9R1.22 CCC1=C(C)SC(N)=N1 4021635 [0,2,0,0,0,0|2,0,0]=4 289 B9R1.22 CCC1=NN(C)C=C1Br 4045694 [0,2,0,0,0,0|2,0,0]=4 290 B9R1.22 CCN1N=C(N)C=C1C 4029410 [0,2,0,0,0,0|2,0,0]=4 291 B9R1.23 CCN1C=C(Br)C(C)=N1 4031289 [0,2,0,0,0,0|2,0,0]=4 292 B9R1.23 CCN1C=C(I)C(C)=N1 4110469 [0,2,0,0,0,0|2,0,0]=4 293 B9R1.23 CCN1C=C(N)C(C)=N1 4031554 [0,2,0,0,0,0|2,0,0]=4 294 B9R1.23 CCN1C=C(N)C(C)=N1 4089766 [0,2,0,0,0,0|2,0,0]=4 295 B9R1.35 CC(=O)C1=CC(C)=CS1 4004647 [0,2,0,0,0,0|0,1,1]=4 296 B9R1.35 CC(=O)C1=CN=C(N)O1 4043735 [0,2,0,0,0,0|1,0,1]=4 297 B9R1.35 CC(C)C1=CSC(N)=N1 4030723 [0,2,0,0,0,0|2,0,0]=4 298 B9R1.35 CC(C)C1=NC(Br)=NO1 4040094 [0,2,0,0,0,0|2,0,0]=4 299 B9R1.35 CC(C)C1=NC(Cl)=NO1 4041176 [0,2,0,0,0,0|2,0,0]=4 300 B9R1.35 CC(C)C1=NC(N)=NO1 4040092 [0,2,0,0,0,0|2,0,0]=4 301 B9R1.35 CC(C)C1=NC=C(Br)N1 4042592 [0,2,0,0,0,0|2,0,0]=4 302 B9R1.35 CC(C)C1=NN=C(N)O1 4013101 [0,2,0,0,0,0|2,0,0]=4 303 B9R1.35 CC(C)C1=NOC(N)=C1 4027949 [0,2,0,0,0,0|2,0,0]=4 304 B9R1.35 CC(C)N1C=C(N)C=N1 4034099 [0,2,0,0,0,0|2,0,0]=4 305 B9R1.35 CC1=CC=C(C(=N)N)O1 4042651 [0,2,0,0,0,0|1,0,1]=4 306 B9R1.35 CC1=CNC(C(C)N)=N1 4101885 [0,2,0,0,0,0|2,0,0]=4 307 B9R1.35 CC1=CSC(C(C)N)=N1 4087959 [0,2,0,0,0,0|1,1,0]=4 308 B9R1.35 CC1=CSC(C(C)N)=N1 4101074 [0,2,0,0,0,0|1,1,0]=4 309 B9R1.35 CC1=NC(C(C)N)=CS1 4088179 [0,2,0,0,0,0|2,0,0]=4 310 B9R1.35 CC1=NC(C(C)N)=CS1 4101060 [0,2,0,0,0,0|2,0,0]=4 311 B9R1.35 CC1=NN=C(C(C)N)O1 4035093 [0,2,0,0,0,0|2,0,0]=4 312 B9R1.35 CC1=NNC(C(C)C)=C1 4035799 [0,2,0,0,0,0|2,0,0]=4 313 B9R1.35 CC1=NNC(C(C)C)=C1 4091031 [0,2,0,0,0,0|2,0,0]=4 314 B9R1.35 CC1=NOC(C(C)N)=N1 4012070 [0,2,0,0,0,0|2,0,0]=4 315 B9R1.35 CC1=NOC(C(C)N)=N1 4110673 [0,2,0,0,0,0|2,0,0]=4 316 B9R1.35 NC(=O)C1=CC=C(Br)O1 9071676 [0,2,0,0,0,0|1,0,1]=4 317 B9R1.35 O=C(O)C1=CC=C(Cl)O1 4029336 [0,2,0,0,0,0|1,0,1]=4 318 B9R1.132 CCC1=NNC(C)=C1Br 4040627 [0,2,0,0,0,0|2,0,0]=4 319 B9R1.132 CCC1=NNC(N)=C1C 4010163 [0,2,0,0,0,0|2,0,0]=4 320 B9R1.132 CCC1=NOC(N)=C1C 4015308 [0,2,0,0,0,0|2,0,0]=4 321 B9R1.132 CCN1N=CC(Br)=C1C 4032178 [0,2,0,0,0,0|2,0,0]=4 322 B9R1.132 CCN1N=CC(C)=C1N 4014354 [0,2,0,0,0,0|2,0,0]=4 323 B9R1.132 CCN1N=CC(I)=C1C 4110512 [0,2,0,0,0,0|2,0,0]=4 324 B9R1.132 CCN1N=CC(N)=C1C 4030465 [0,2,0,0,0,0|2,0,0]=4 325 B9R1.11 CC(CN)N1C=CC=N1 4028321 [0,2,0,0,0,0|2,0,0]=4 326 B9R1.11 CC(CO)N1C=CC=N1 4026993 [0,2,0,0,0,0|2,0,0]=4 327 B9R1.11 CCC(N)C1=CC=CS1 4089935 [0,2,0,0,0,0|0,1,0]=3 328 B9R1.11 CCC(N)C1=CC=CS1 4101664 [0,2,0,0,0,0|0,1,0]=3 329 B9R1.11 CCC(N)C1=NC=CS1 4006224 [0,2,0,0,0,0|1,1,0]=4 330 B9R1.11 CNC(C)C1=CC=CS1 4088898 [0,2,0,0,0,0|0,1,0]=3 331 B9R1.11 CNC(C)C1=CC=CS1 4100659 [0,2,0,0,0,0|0,1,0]=3 332 B9R1.11 N\C(=N/O)C1=CC=CO1 4031756 [0,2,0,0,0,0|1,0,1]=4 333 B9R1.19 CC(C)(C)C1=CNC=N1 4040620 [0,2,0,0,0,0|2,0,0]=4 334 B9R1.19 CC(C)(C)C1=NC=CN1 4039818 [0,2,0,0,0,0|2,0,0]=4 335 B9R1.19 CC(C)(C)C1=NNC=C1 4031006 [0,2,0,0,0,0|2,0,0]=4 336 B9R1.41 CC(C)C1=C(Br)C=NN1 4039890 [0,2,0,0,0,0|2,0,0]=4 337 B9R1.41 CC(C)N1N=CC=C1Br 4035629 [0,2,0,0,0,0|2,0,0]=4 338 B9R1.41 CC(C)N1N=CC=C1N 4013060 [0,2,0,0,0,0|2,0,0]=4 339 B9R1.41 CC1=C(C(C)N)N=CS1 4102466 [0,2,0,0,0,0|2,0,0]=4 340 B9R1.12 ClCCCN1C=CC=N1 4027320 [0,2,0,0,0,0|2,0,0]=4 341 B9R1.12 NCCCC1=CC=CO1 4028902 [0,2,0,0,0,0|0,0,0]=2 342 B9R1.12 NCCCC1=NC=CN1 4013125 [0,2,0,0,0,0|2,0,0]=4 343 B9R1.12 NCCCN1C=CC=C1 4027319 [0,2,0,0,0,0|2,0,0]=4 344 B9R1.12 NCCCN1C=CC=N1 4004508 [0,2,0,0,0,0|2,0,0]=4 345 B9R1.12 O=C=NCC1=CC=CS1 4012287 [0,2,0,0,0,0|0,1,1]=4 346 B9R1.12 O=CCCN1C=CC=N1 4010920 [0,2,0,0,0,0|2,0,0]=4 347 B9R1.12 OCCCN1C=CC=N1 4010681 [0,2,0,0,0,0|2,0,0]=4 348 B9R1.13 CC(=O)CC1=CC=CS1 4041410 [0,2,0,0,0,0|0,1,0]=3 349 B9R1.13 CC(=O)CN1C=CC=N1 4027130 [0,2,0,0,0,0|2,0,0]=4 350 B9R1.13 CC(C)CC1=NC=CN1 4039941 [0,2,0,0,0,0|2,0,0]=4 351 B9R1.13 CC(N)CN1C=CC=N1 4004436 [0,2,0,0,0,0|2,0,0]=4 352 B9R1.33 CC1=C(CCN)N=CN1 4050822 [0,2,0,0,0,0|2,0,0]=4 353 B9R1.33 CC1=C(CCN)SC=N1 4088575 [0,2,0,0,0,0|1,1,0]=4 354 B9R1.33 CC1=C(CCN)SC=N1 4091218 [0,2,0,0,0,0|1,1,0]=4 355 B9R1.33 CC1=C(CCN)SC=N1 4102697 [0,2,0,0,0,0|1,1,0]=4 356 B9R1.33 CC1=CC=NN1CCCl 4014437 [0,2,0,0,0,0|2,0,0]=4 357 B9R1.33 CC1=CC=NN1CCN 4016694 [0,2,0,0,0,0|2,0,0]=4 358 B9R1.33 CCCN1N=CC=C1N 4014296 [0,2,0,0,0,0|2,0,0]=4 359 B9R1.33 CN1C=CC=C1CC#N 4044903 [0,2,0,0,0,0|1,0,1]=4 360 B9R1.33 CN1C=CC=C1CCN 4004553 [0,2,0,0,0,0|1,0,0]=3 361 B9R1.33 CN1C=CN=C1CCCl 4042694 [0,2,0,0,0,0|2,0,0]=4 362 B9R1.33 CN1C=CN=C1CCN 4029034 [0,2,0,0,0,0|2,0,0]=4 363 B9R1.33 CN1C=CN=C1CCO 4038692 [0,2,0,0,0,0|2,0,0]=4 364 B9R1.33 CN1N=CC=C1CCN 4045441 [0,2,0,0,0,0|2,0,0]=4 365 B9R1.33 CNCC1=C(C)C=CS1 4004556 [0,2,0,0,0,0|0,1,0]=3 366 B9R1.33 CNCC1=C(C)C=CS1 4091068 [0,2,0,0,0,0|0,1,0]=3 367 B9R1.33 CNCC1=NC=CN1C 4101396 [0,2,0,0,0,0|2,0,0]=4 368 B9R1.14 CCN1C=CC=C1C#N 4043432 [0,2,0,0,0,0|2,0,0]=4 369 B9R1.14 CCN1N=CC=C1C#N 4039759 [0,2,0,0,0,0|2,0,0]=4 370 B9R1.14 CCN1N=CC=C1CO 4044211 [0,2,0,0,0,0|2,0,0]=4 371 B9R1.27 CCC1=C(Br)C=NN1C 4045674 [0,2,0,0,0,0|2,0,0]=4 372 B9R2.2 C1=NNC(C2CC2)=C1 4031734 [0,1,0,1,0,0|2,0,0]=4 373 B9R2.3 C1=NNC2=C1CCC2 4033386 [0,1,0,1,0,0|2,0,0]=4