0 B9R1.13 CC(=O)CC1=CC=CS1 4041410 [0,0,0,0,0,0|0,1,0]=1 1 B9R1.13 CC(=O)CN1C=CC=N1 4027130 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.13 CC(=O)CN1C=NC=N1 4001637 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.13 CC(=O)CN1C=NC=N1 4089126 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.13 CC(C)CC1=NC=CN1 4039941 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.13 CC(N)CN1C=CC=N1 4004436 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.13 O=C(O)CC1=CC=NN1 4004807 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.13 O=C(O)CC1=CSC=N1 2402341 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.13 O=C(O)CN1C=CC=C1 4027952 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.13 O=C(O)CN1C=CC=N1 2402291 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.13 O=C(O)CN1C=CN=C1 4400175 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.13 O=C(O)CN1C=CN=N1 4029091 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.13 O=C(O)CN1N=CC=N1 4030596 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.8 CNCC1=CC=CO1 2102243 [1,0,0,0,0,0|1,0,0]=2 14 B8R1.8 CNCC1=CC=CS1 4100657 [1,0,0,0,0,0|1,1,0]=3 15 B8R1.8 CNCC1=CC=NN1 2102295 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.8 CNCC1=CSC=C1 4100799 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.8 CNCC1=CSC=N1 2102331 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.8 CNCC1=NC=CN1 4101395 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.8 CNCC1=NC=CS1 2102322 [1,0,0,0,0,0|2,1,0]=4 20 B8R1.8 NCCC1=CC=CO1 4100671 [1,0,0,0,0,0|1,0,1]=3 21 B8R1.8 NNCC1=CC=CS1 4044222 [1,0,0,0,0,0|2,1,0]=4 22 B10R1.23 CC(C(=O)O)N1C=CC=C1 4028103 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.23 CC(C(=O)O)N1C=CC=N1 4401706 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.23 C[C@@H](C(=O)O)N1C=CC=C1 4044205 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.27 CCC(=O)CC1=CC=CO1 4027298 [0,1,0,0,0,0|0,0,0]=1 26 B10R1.27 NCC(=O)NC1=NC=CS1 4030340 [0,1,0,0,0,0|2,1,0]=4 27 B10R1.27 NNC(=O)CC1=CC=CS1 3015007 [0,1,0,0,0,0|1,1,0]=3 28 B10R1.27 O=C(CCl)NC1=NC=CS1 3006559 [0,1,0,0,0,0|2,1,0]=4 29 B10R1.54 CC(=O)CC1=NC(C)=NO1 4002241 [0,1,0,0,0,0|2,0,0]=3 30 B10R1.54 CC1=CN(CC(=O)O)N=C1 4028024 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.54 CC1=NC(CC(=O)O)=CS1 4400881 [0,1,0,0,0,0|3,0,0]=4 32 B10R1.54 CC1=NN(CC(=O)O)C=C1 4400226 [0,1,0,0,0,0|3,0,0]=4 33 B10R1.54 NC(=O)CC1=CSC(N)=N1 4031388 [0,1,0,0,0,0|3,0,0]=4 34 B10R1.54 NC(=O)CN1C=C(Br)C=N1 4035576 [0,1,0,0,0,0|3,0,0]=4 35 B10R1.54 NC(=O)CN1C=C(I)C=N1 4085569 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.54 NC1=CN(CC(=O)O)N=C1 4011079 [0,1,0,0,0,0|3,0,0]=4 37 B10R1.54 O=C(O)CN1C=C(Br)C=N1 4032060 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.64 CC(=O)CN1C=CN=C1C 4027991 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.64 CC(=O)CN1C=CN=C1C 4088877 [0,1,0,0,0,0|3,0,0]=4 40 B10R1.64 CC1=C(CC(=O)O)N=CN1 4005589 [0,1,0,0,0,0|3,0,0]=4 41 B8R1.7 CC(=O)C1=NC=CN1 4040695 [0,0,0,0,1,0|2,0,0]=3 42 B8R1.7 CC(=O)C1=NC=NN1 4040504 [0,0,0,0,1,0|3,0,0]=4 43 B8R1.7 CC(N)C1=CC=CS1 4100658 [0,0,0,0,1,0|1,1,1]=4 44 B8R1.7 N=C(N)C1=CC=CO1 4030998 [0,0,0,0,1,0|2,0,0]=3 45 B8R1.7 O=C(O)C1=CC=NS1 4031031 [0,0,0,0,1,0|2,1,0]=4 46 B8R1.7 O=C(O)C1=CSC=N1 2402329 [0,0,0,0,1,0|3,0,0]=4 47 B8R1.7 O=C(O)C1=NNC=C1 3001705 [0,0,0,0,1,0|3,0,0]=4 48 B8R1.7 O=C(O)C1=NOC=C1 2402252 [0,0,0,0,1,0|3,0,0]=4 49 B10R1.18 CC(=O)CC1=CC=CN=C1 4301933 [0,0,0,0,0,1|1,0,0]=2 50 B10R1.18 CC(=O)CC1=NC=CC=C1 4301932 [0,0,0,0,0,1|1,0,0]=2 51 B10R1.18 CC(=O)CC1=NC=CN=C1 4003592 [0,0,0,0,0,1|1,0,0]=2 52 B10R1.18 CC(N)CC1=CN=CC=C1 4002035 [0,0,0,0,0,1|2,0,1]=4 53 B10R1.18 CC(N)CC1=NC=CN=C1 4010867 [0,0,0,0,0,1|2,0,1]=4 54 B10R1.18 CC(N)CC1=NC=CN=C1 4087844 [0,0,0,0,0,1|2,0,1]=4 55 B10R1.18 CC(O)CC1=NC=CC=C1 4041318 [0,0,0,0,0,1|1,0,2]=4 56 B10R1.18 N=C(N)CC1=CC=CN=C1 4031165 [0,0,0,0,0,1|3,0,0]=4 57 B10R1.18 N=C(N)CC1=NC=CC=C1 4029560 [0,0,0,0,0,1|3,0,0]=4 58 B10R1.66 CC(=O)CCN1C=CC=N1 4033649 [0,0,0,0,0,1|2,0,0]=3 59 B10R1.66 O=C(O)CCC1=CC=NO1 4018161 [0,0,0,0,0,1|2,0,0]=3 60 B10R1.66 O=C(O)CCC1=CSC=C1 4014842 [0,0,0,0,0,1|3,0,0]=4 61 B10R1.66 O=C(O)CCN1C=CC=C1 4027042 [0,0,0,0,0,1|3,0,0]=4 62 B10R1.66 O=C(O)CCN1C=CC=N1 4004233 [0,0,0,0,0,1|3,0,0]=4 63 B10R1.66 O=C(O)CCN1C=CC=N1 4089879 [0,0,0,0,0,1|3,0,0]=4 64 B10R1.66 O=C(O)\C=C\C1=CC=CS1 3002329 [0,0,0,0,0,1|1,1,1]=4 65 B7R1.1 CCC1=NNC=C1 4042936 [2,0,0,0,0,0|2,0,0]=4 66 B7R1.1 NCC1=CC=NO1 2102257 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.7 CC1=CC=C(CCN)O1 4004579 [1,1,0,0,0,0|1,0,1]=4 68 B9R1.7 CNCC1=CC(C)=NO1 4100871 [1,1,0,0,0,0|2,0,0]=4 69 B9R1.7 CNCC1=CC=C(C)O1 4004552 [1,1,0,0,0,0|1,0,0]=3 70 B9R1.7 CNCC1=CC=C(C)S1 4088696 [1,1,0,0,0,0|1,1,0]=4 71 B9R1.7 CNCC1=CC=C(C)S1 4100661 [1,1,0,0,0,0|1,1,0]=4 72 B9R1.11 CCC(N)C1=CC=CS1 4089935 [1,1,0,0,0,0|0,1,1]=4 73 B9R1.11 CCC(N)C1=CC=CS1 4101664 [1,1,0,0,0,0|0,1,1]=4 74 B9R1.11 CNC(C)C1=CC=CS1 4088898 [1,1,0,0,0,0|1,1,0]=4 75 B9R1.11 CNC(C)C1=CC=CS1 4100659 [1,1,0,0,0,0|1,1,0]=4 76 B9R1.12 NCCCC1=CC=CO1 4028902 [1,1,0,0,0,0|0,0,1]=3 77 B9R1.12 O=C=NCC1=CC=CS1 4012287 [1,1,0,0,0,0|0,1,1]=4 78 B9R1.12 O=CCCN1C=CC=N1 4010920 [1,1,0,0,0,0|2,0,0]=4 79 B9R1.33 CNCC1=C(C)C=CS1 4004556 [1,1,0,0,0,0|1,1,0]=4 80 B9R1.33 CNCC1=C(C)C=CS1 4091068 [1,1,0,0,0,0|1,1,0]=4 81 B9R1.35 CC(=O)C1=CC(C)=CS1 4004647 [0,1,0,0,1,0|0,1,0]=3 82 B9R1.35 CC(=O)C1=CN=C(N)O1 4043735 [0,1,0,0,1,0|1,0,0]=3 83 B9R1.35 CC(=O)C1=NC(C)=CN1 4041054 [0,1,0,0,1,0|2,0,0]=4 84 B9R1.35 CC1=CC=C(C(=N)N)O1 4042651 [0,1,0,0,1,0|2,0,0]=4 85 B9R1.35 CC1=NOC(C(=O)O)=C1 4402542 [0,1,0,0,1,0|2,0,0]=4 86 B9R1.35 NC(=O)C1=CC(Br)=CS1 9071903 [0,1,0,0,1,0|1,1,0]=4 87 B9R1.35 NC(=O)C1=CC=C(Br)O1 9071676 [0,1,0,0,1,0|1,0,0]=3 88 B9R1.35 NC(=O)C1=CC=C(Br)S1 6131131 [0,1,0,0,1,0|1,1,0]=4 89 B9R1.35 O=C(O)C1=CC(Br)=CN1 4029556 [0,1,0,0,1,0|2,0,0]=4 90 B9R1.35 O=C(O)C1=CC(Cl)=CN1 4029972 [0,1,0,0,1,0|2,0,0]=4 91 B9R1.35 O=C(O)C1=CC(Cl)=NO1 4036344 [0,1,0,0,1,0|2,0,0]=4 92 B9R1.35 O=C(O)C1=CC(O)=NO1 4010290 [0,1,0,0,1,0|2,0,0]=4 93 B9R1.35 O=C(O)C1=CC=C(Br)S1 3001713 [0,1,0,0,1,0|1,1,0]=4 94 B9R1.35 O=C(O)C1=CC=C(Cl)O1 4029336 [0,1,0,0,1,0|1,0,0]=3 95 B9R1.35 O=C(O)C1=CC=C(Cl)S1 3002594 [0,1,0,0,1,0|1,1,0]=4 96 B9R1.41 CC(=O)C1=C(C)N=CS1 4006179 [0,1,0,0,1,0|1,1,0]=4 97 B9R1.41 CC(=O)C1=CC=NN1C 4030373 [0,1,0,0,1,0|2,0,0]=4 98 B11R1.20 CC(=O)CC1=CC=C(C)C=N1 4002457 [0,1,0,0,0,1|1,0,0]=3 99 B11R1.20 NC(=O)CC1=CC=C(Br)C=C1 4006878 [0,1,0,0,0,1|2,0,0]=4 100 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 4033333 [0,1,0,0,0,1|2,0,0]=4 101 B11R1.40 NNC(=O)CC1=CC=CC=C1 3002732 [0,1,0,0,0,1|2,0,0]=4 102 B11R1.40 NNC(=O)CC1=CC=NC=C1 4036772 [0,1,0,0,0,1|2,0,0]=4 103 B11R1.40 NNC(=O)CC1=NC=CC=C1 4036750 [0,1,0,0,0,1|2,0,0]=4 104 B11R1.40 O=C(CBr)NC1=CC=CC=C1 4023663 [0,1,0,0,0,1|2,0,0]=4 105 B11R1.40 O=C(CCl)NC1=CC=CC=C1 3002954 [0,1,0,0,0,1|2,0,0]=4 106 B11R1.86 CC(=O)CC1=C(C)C=CC=N1 4002455 [0,1,0,0,0,1|1,0,0]=3 107 B11R1.86 CC(=O)NC1=CC=CN=C1Cl 9070591 [0,1,0,0,0,1|2,0,0]=4 108 B11R1.86 CC(=O)NC1=NC=CC=C1O 4032188 [0,1,0,0,0,1|2,0,0]=4 109 B11R1.86 CC1=C(CC(=O)O)N=CC=C1 4081067 [0,1,0,0,0,1|2,0,0]=4 110 B11R1.157 CC(=O)CC1=CC(C)=CC=N1 4002456 [0,1,0,0,0,1|1,0,0]=3 111 B11R1.157 CC(=O)CC1=CC=CC(C)=N1 4000002 [0,1,0,0,0,1|1,0,0]=3 112 B11R1.157 CC(=O)NC1=CC(Br)=CC=C1 5475603 [0,1,0,0,0,1|2,0,0]=4 113 B11R1.157 NC(=O)CC1=CC=CC(N)=C1 4033483 [0,1,0,0,0,1|2,0,0]=4 114 B11R1.25 O=C(CBr)NCC1=CC=CO1 4023685 [0,1,0,0,0,1|0,0,0]=2 115 B11R1.25 O=C(CCl)NCC1=CC=CO1 3015664 [0,1,0,0,0,1|0,0,0]=2 116 B11R1.35 NC(CC1=CC=CO1)C(=O)O 4141555 [0,1,0,0,0,1|1,0,0]=3 117 B11R1.75 O=C(O)CCC1=CC(Br)=NO1 4002825 [0,1,0,0,0,1|2,0,0]=4 118 B11R1.75 O=C(O)CCC1=CC(Cl)=NO1 4002889 [0,1,0,0,0,1|2,0,0]=4 119 B11R1.75 O=C(O)CCC1=CC(O)=NO1 4027380 [0,1,0,0,0,1|2,0,0]=4 120 B11R1.510 CC(C)(C)NCC1=CC=CO1 4089556 [0,1,0,0,0,1|1,0,1]=4 121 B11R1.510 CC(C)(C)NCC1=CC=CO1 9071656 [0,1,0,0,0,1|1,0,1]=4 122 B11R1.173 CC(N)(C(=O)O)C1=CC=CO1 4032905 [0,2,0,0,0,0|1,0,0]=3 123 B11R1.173 CC(N)(C(=O)O)C1=CC=CS1 4034546 [0,2,0,0,0,0|1,1,0]=4 124 B11R1.298 CN(C)C(CN)C1=CC=CO1 4026875 [0,2,0,0,0,0|2,0,0]=4 125 B11R1.298 CNC(C(=O)O)C1=CC=CS1 4141564 [0,2,0,0,0,0|1,1,0]=4 126 B11R1.30 CCCC(=O)CC1=CC=CO1 4027908 [0,2,0,0,0,0|0,0,0]=2 127 B11R1.39 CNC(=O)CC1=CN=C(N)S1 4039869 [0,2,0,0,0,0|1,1,0]=4 128 B11R1.39 CNC(=O)CN1C=C(Br)C=N1 4035112 [0,2,0,0,0,0|2,0,0]=4 129 B11R1.39 CNC(=O)CN1C=C(N)C=N1 4087929 [0,2,0,0,0,0|2,0,0]=4 130 B11R1.39 COC(=O)CN1C=C(I)C=N1 4042691 [0,2,0,0,0,0|2,0,0]=4 131 B11R1.84 NCC(CO)CC1=CC=CO1 4040730 [0,2,0,0,0,0|0,0,2]=4 132 B11R1.228 CN1C=CC=C1CC(=O)NN 3001503 [0,2,0,0,0,0|2,0,0]=4 133 B11R1.43 C(=O)C1=CC=C(NC(C)=O)S1 4130382 [0,2,0,0,0,0|1,1,0]=4 134 B11R1.645 CC(=O)CN1N=C(C)C=C1C 4004439 [0,2,0,0,0,0|2,0,0]=4 135 B9R1.8 CNCC1=CC=CC=N1 4004537 [1,0,0,0,0,1|2,0,0]=4 136 B9R1.8 CNCC1=NC=NC=C1 4102726 [1,0,0,0,0,1|2,0,0]=4 137 B11R1.91 O=C(O)CCC1=CC=NC=C1 4004170 [0,0,0,0,0,2|2,0,0]=4 138 B11R1.91 O=C(O)CCC1=NC=CC=C1 4004241 [0,0,0,0,0,2|2,0,0]=4 139 B11R1.91 O=C(O)CCC1=NC=CN=C1 4003578 [0,0,0,0,0,2|2,0,0]=4 140 B11R1.91 O=C(O)CNC1=CC=CN=C1 4110417 [0,0,0,0,0,2|2,0,0]=4 141 B11R1.91 O=C(O)CSC1=NC=CC=C1 4400385 [0,0,0,0,0,2|2,0,0]=4 142 B11R1.172 CC(C)CNCC1=CC=CO1 9071652 [0,0,0,0,0,2|1,0,1]=4