0 B9R1.12 CCCCC1=CC=CO1 OR3223 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.12 CCCCN1C=CN=C1 OR17126 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.12 S=C=NCC1=CC=CO1 OR28864 [0,0,0,0,0,0|2,0,1]=3 3 B8R1.8 CCCC1=CC=CO1 OR3221 [1,0,0,0,0,0|0,0,0]=1 4 B8R1.8 CCCC1=NC=CS1 OR8147 [1,0,0,0,0,0|1,1,0]=3 5 B8R1.8 CNCC1=CN=CO1 OR59855 [1,0,0,0,0,0|2,0,0]=3 6 B8R1.8 CNCC1=COC=N1 OR59851 [1,0,0,0,0,0|3,0,0]=4 7 B8R1.8 N#CCC1=CC=CS1 OR10147 [1,0,0,0,0,0|1,1,1]=4 8 B8R1.8 N#CCC1=CN=CO1 OR59853 [1,0,0,0,0,0|2,0,1]=4 9 B8R1.8 NCCC1=CC=CS1 OR10144 [1,0,0,0,0,0|1,1,0]=3 10 B8R1.8 NCCC1=CNC=N1 OR28842 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.8 NCCC1=CSC=C1 OR40114 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.8 NCCC1=NC=CN1 OR305182 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.8 OCCC1=CC=CS1 OR6571 [1,0,0,0,0,0|1,1,0]=3 14 B8R1.8 OCCC1=CSC=C1 OR13899 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.8 OCCN1C=CC=C1 OR200029 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.8 OCCN1C=CC=N1 OR11946 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.8 ON=CC1=CC=CO1 OR18402 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.11 CCOC(=O)C1=CC=CN1 OR29376 [0,1,0,0,0,0|1,0,1]=3 19 B10R1.11 CCOC(=O)C1=CC=CS1 OR5056 [0,1,0,0,0,0|0,1,1]=3 20 B10R1.11 CCOC(=O)C1=CN=CO1 OR3553 [0,1,0,0,0,0|1,0,1]=3 21 B10R1.11 CCOC(=O)C1=CN=CS1 OR5607 [0,1,0,0,0,0|1,1,1]=4 22 B10R1.11 CCOC(=O)C1=CNC=N1 OR5606 [0,1,0,0,0,0|2,0,1]=4 23 B10R1.11 CCOC(=O)C1=COC=C1 OR6328 [0,1,0,0,0,0|2,0,1]=4 24 B10R1.11 CCOC(=O)C1=COC=N1 OR3767 [0,1,0,0,0,0|2,0,1]=4 25 B10R1.11 CCOC(=O)C1=CSC=N1 OR10476 [0,1,0,0,0,0|2,0,1]=4 26 B10R1.11 CCOC(=O)C1=NC=CN1 OR3003 [0,1,0,0,0,0|2,0,1]=4 27 B10R1.11 CCOC(=O)C1=NC=CO1 OR313004 [0,1,0,0,0,0|1,0,1]=3 28 B10R1.11 CCOC(=O)C1=NNC=C1 OR300747 [0,1,0,0,0,0|2,0,1]=4 29 B10R1.11 CCOC(C)N1C=CC=N1 OR307169 [0,1,0,0,0,0|2,0,0]=3 30 B10R1.16 CCCCN1C=C(Br)C=N1 OR11984 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.21 CCCCCC1=CC=CO1 OR3220 [0,1,0,0,0,0|1,0,0]=2 32 B10R1.21 NCCSCC1=CC=CO1 OR42233 [0,1,0,0,0,0|0,1,0]=2 33 B10R1.27 COC(=O)CC1=CC=CS1 OR8687 [0,1,0,0,0,0|2,1,0]=4 34 B10R1.29 CCOCN1C=CN=C1Br OR10363 [0,1,0,0,0,0|3,0,0]=4 35 B10R1.29 CCOCN1C=CN=C1Cl OR10410 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.29 CCOCN1C=CN=C1I OR1047 [0,1,0,0,0,0|3,0,0]=4 37 B10R1.66 CC(=O)OC=C1C=CC=C1 OR321296 [0,1,0,0,0,0|1,0,2]=4 38 B10R1.66 CC(=O)OCC1=CC=CO1 OR6041 [0,1,0,0,0,0|0,0,1]=2 39 B10R1.66 CC(=O)\C=C\C1=CC=CO1 OR6040 [0,1,0,0,0,0|1,0,2]=4 40 B10R1.66 O=C(O)CCC1=CC=CO1 OR3886 [0,1,0,0,0,0|2,0,1]=4 41 B10R2.7 C1=CC2=C(CCCC2)S1 OR110654 [0,0,0,1,0,0|1,1,0]=3 42 B10R2.7 C1=CN2CCNCC2=N1 OR40278 [0,0,0,1,0,0|3,0,0]=4 43 B10R2.7 C1=NC2=C(CNCC2)S1 OR52323 [0,0,0,1,0,0|2,1,0]=4 44 B10R2.7 C1=NNC2=C1COCC2 OR110924 [0,0,0,1,0,0|3,0,0]=4 45 B10R1.17 BrCCCC1=CC=CC=C1 OR10084 [0,0,0,0,0,1|3,0,0]=4 46 B10R1.17 CCNCC1=CC=CC=C1 OR5309 [0,0,0,0,0,1|2,0,0]=3 47 B10R1.17 CNCCC1=CC=NC=C1 OR12592 [0,0,0,0,0,1|3,0,0]=4 48 B10R1.17 CNCCC1=NC=CC=C1 OR22222 [0,0,0,0,0,1|3,0,0]=4 49 B10R1.17 NCCCC1=CC=CC=C1 OR5083 [0,0,0,0,0,1|3,0,0]=4 50 B7R0.1 CCCC\C=C\C=O OR6048 [1,0,1,0,0,0|0,0,2]=4 51 B7R0.1 CC\C=C\C=C\C=O OR6046 [1,0,1,0,0,0|0,0,2]=4 52 B7R0.7 CCOC(=O)\C=C/Br OR27617 [1,0,1,0,0,0|1,0,1]=4 53 B7R1.1 BrCC1=CN=CO1 OR59852 [2,0,0,0,0,0|2,0,0]=4 54 B7R1.1 C=CC1=CC=CO1 OR400374 [2,0,0,0,0,0|0,0,2]=4 55 B7R1.1 CCC1=CC=CN1 OR42007 [2,0,0,0,0,0|1,0,0]=3 56 B7R1.1 CCC1=CC=CO1 OR6028 [2,0,0,0,0,0|0,0,0]=2 57 B7R1.1 CCC1=CC=CS1 OR7250 [2,0,0,0,0,0|0,1,0]=3 58 B7R1.1 CCC1=CSC=N1 OR303339 [2,0,0,0,0,0|2,0,0]=4 59 B7R1.1 CCC1=NC=CN1 OR2906 [2,0,0,0,0,0|2,0,0]=4 60 B7R1.1 CCN1C=CC=N1 OR61206 [2,0,0,0,0,0|2,0,0]=4 61 B7R1.1 COC1=CSC=C1 OR6628 [2,0,0,0,0,0|2,0,0]=4 62 B7R1.1 CSC1=CC=CS1 OR4091 [2,0,0,0,0,0|0,2,0]=4 63 B7R1.1 ClCC1=CC=CO1 OR310257 [2,0,0,0,0,0|1,0,0]=3 64 B7R1.1 ClCC1=CC=CS1 OR305427 [2,0,0,0,0,0|1,1,0]=4 65 B7R1.1 ClCC1=NC=CO1 OR301217 [2,0,0,0,0,0|2,0,0]=4 66 B7R1.1 N#CC1=CC=CO1 OR30131 [2,0,0,0,0,0|1,0,1]=4 67 B7R1.1 NCC1=CC=CO1 OR23026 [2,0,0,0,0,0|1,0,0]=3 68 B7R1.1 NCC1=CC=CS1 OR6799 [2,0,0,0,0,0|1,1,0]=4 69 B7R1.1 NCC1=CN=CO1 OR59854 [2,0,0,0,0,0|2,0,0]=4 70 B7R1.1 NCC1=NC=CO1 OR313058 [2,0,0,0,0,0|2,0,0]=4 71 B7R1.1 O=CC1=CC=CO1 OR23023 [2,0,0,0,0,0|0,0,2]=4 72 B7R1.1 OCC1=CC=CO1 OR23024 [2,0,0,0,0,0|0,0,0]=2 73 B7R1.1 OCC1=CC=CS1 OR59889 [2,0,0,0,0,0|0,1,0]=3 74 B7R1.1 OCC1=CC=NS1 OR18560 [2,0,0,0,0,0|1,1,0]=4 75 B7R1.1 OCC1=CN=CO1 OR3790 [2,0,0,0,0,0|1,0,0]=3 76 B7R1.1 OCC1=CN=CS1 OR5597 [2,0,0,0,0,0|1,1,0]=4 77 B7R1.1 OCC1=CNC=N1 OR2014 [2,0,0,0,0,0|2,0,0]=4 78 B7R1.1 OCC1=CNC=N1 OR6427 [2,0,0,0,0,0|2,0,0]=4 79 B7R1.1 OCC1=COC=C1 OR23029 [2,0,0,0,0,0|2,0,0]=4 80 B7R1.1 OCC1=COC=N1 OR59847 [2,0,0,0,0,0|2,0,0]=4 81 B7R1.1 OCC1=CSC=C1 OR10141 [2,0,0,0,0,0|2,0,0]=4 82 B7R1.1 OCC1=CSC=N1 OR5598 [2,0,0,0,0,0|2,0,0]=4 83 B7R1.1 OCC1=NC=CN1 OR23115 [2,0,0,0,0,0|2,0,0]=4 84 B7R1.1 OCC1=NC=CN1 OR6415 [2,0,0,0,0,0|2,0,0]=4 85 B7R1.1 OCC1=NC=CO1 OR59845 [2,0,0,0,0,0|1,0,0]=3 86 B7R1.1 OCC1=NC=CS1 OR14307 [2,0,0,0,0,0|1,1,0]=4 87 B7R1.1 OCC1=NNC=C1 OR52395 [2,0,0,0,0,0|2,0,0]=4 88 B7R1.1 OCC1=NOC=C1 OR305308 [2,0,0,0,0,0|2,0,0]=4 89 B7R1.1 SCC1=CC=CS1 OR51965 [2,0,0,0,0,0|0,2,0]=4 90 B9R1.7 CCOC1=NC(Br)=CS1 OR15556 [1,1,0,0,0,0|1,1,0]=4 91 B9R1.7 CNCC1=CC=C(C)S1 OR12379 [1,1,0,0,0,0|1,1,0]=4 92 B9R1.7 CNCC1=CN=C(C)O1 OR59867 [1,1,0,0,0,0|2,0,0]=4 93 B9R1.7 NCCC1=CC(Br)=CS1 OR40610 [1,1,0,0,0,0|1,1,0]=4 94 B9R1.7 OCCC1=CC(Br)=NO1 OR15589 [1,1,0,0,0,0|2,0,0]=4 95 B9R1.11 COC(=O)C1=CC=CN1 OR29375 [1,1,0,0,0,0|1,0,1]=4 96 B9R1.11 COC(=O)C1=CC=CO1 OR5946 [1,1,0,0,0,0|0,0,1]=3 97 B9R1.11 COC(=O)C1=CC=CS1 OR30134 [1,1,0,0,0,0|0,1,1]=4 98 B9R1.11 COC(=O)C1=CC=NO1 OR0629 [1,1,0,0,0,0|1,0,1]=4 99 B9R1.11 NCC(O)C1=CC=CO1 OR14028 [1,1,0,0,0,0|1,0,0]=3 100 B9R1.11 O=C(CBr)C1=CC=CO1 OR11289 [1,1,0,0,0,0|1,0,1]=4 101 B9R1.13 CC(C)CC1=NC=CS1 OR8109 [1,1,0,0,0,0|1,1,0]=4 102 B9R1.13 CC(N)CC1=CC=CS1 OR322580 [1,1,0,0,0,0|0,1,0]=3 103 B9R1.33 CNCC1=C(C)C=CO1 OR15949 [1,1,0,0,0,0|1,0,0]=3 104 B11R1.1 CCCCC1=CC=C(Br)C=C1 OR1467 [0,1,0,0,0,1|2,0,0]=4 105 B11R1.1 CCCCC1=CC=C(Cl)C=C1 OR3170 [0,1,0,0,0,1|2,0,0]=4 106 B11R1.1 CCCCC1=CC=C(O)C=C1 OR22100 [0,1,0,0,0,1|2,0,0]=4 107 B11R1.16 CCCC(N)C1=CN=CC=C1 OR470277 [0,1,0,0,0,1|2,0,0]=4 108 B11R1.16 CCOC(=N)C1=NC=CC=C1 OR305410 [0,1,0,0,0,1|1,0,1]=4 109 B11R1.16 CCOC(=O)C1=CC=NC=C1 OR1918 [0,1,0,0,0,1|1,0,1]=4 110 B11R1.16 CCOC(=O)C1=NC=CC=C1 OR4533 [0,1,0,0,0,1|1,0,1]=4 111 B11R1.17 CCCCC1=NC=NC=C1Br OR11577 [0,1,0,0,0,1|2,0,0]=4 112 B11R1.28 BrCCCCC1=CC=CC=C1 OR8178 [0,1,0,0,0,1|2,0,0]=4 113 B11R1.28 CCCCCC1=NC=CC=C1 OR27869 [0,1,0,0,0,1|2,0,0]=4 114 B11R1.28 CCCCNC1=CC=CC=C1 OR18275 [0,1,0,0,0,1|2,0,0]=4 115 B11R1.28 CNCCCC1=CC=CC=C1 OR12552 [0,1,0,0,0,1|2,0,0]=4 116 B11R1.28 ClCCNCC1=CC=CC=C1 OR24839 [0,1,0,0,0,1|2,0,0]=4 117 B11R1.28 NCCCCC1=CC=CC=C1 OR5084 [0,1,0,0,0,1|2,0,0]=4 118 B11R1.28 NCCNCC1=CC=CC=C1 OR28924 [0,1,0,0,0,1|2,0,0]=4 119 B11R1.28 NCCOCC1=CC=CC=C1 OR14357 [0,1,0,0,0,1|1,0,0]=3 120 B11R1.28 NCCOCC1=CC=CC=C1 OR51851 [0,1,0,0,0,1|1,0,0]=3 121 B11R1.28 O=CCOCC1=CC=CC=C1 OR43518 [0,1,0,0,0,1|1,0,1]=4 122 B11R1.28 OCCCCC1=CC=CC=C1 OR0769 [0,1,0,0,0,1|2,0,0]=4 123 B11R1.91 CC(N)CCC1=CC=CC=C1 OR5082 [0,1,0,0,0,1|2,0,0]=4 124 B11R1.91 C[C@@H](O)CCC1=CC=CC=C1 OR304056 [0,1,0,0,0,1|2,0,0]=4 125 B11R1.15 CCOC(=O)C1=CC(Br)=NO1 OR914272 [0,2,0,0,0,0|1,0,1]=4 126 B11R1.15 CCOC(=O)C1=CC(I)=CN1 OR61364 [0,2,0,0,0,0|1,0,1]=4 127 B11R1.15 CCOC(=O)C1=CN=C(Cl)O1 OR11484 [0,2,0,0,0,0|1,0,1]=4 128 B11R1.15 CCOC(=O)C1=CN=C(N)O1 OR5611 [0,2,0,0,0,0|1,0,1]=4 129 B11R1.15 CCOC(C)N1C=C(Br)C=N1 OR307168 [0,2,0,0,0,0|2,0,0]=4 130 B11R1.199 CCOC(=O)C1=C(C)N=CO1 OR28307 [0,2,0,0,0,0|1,0,1]=4 131 B11R1.199 CCOC(=O)C1=C(N)C=CN1 OR10491 [0,2,0,0,0,0|1,0,1]=4 132 B11R1.4 N#CCCNCC1=CC=CO1 OR25697 [0,2,0,0,0,0|1,0,0]=3 133 B11R1.25 O=C(CCl)NCC1=CC=CO1 OR15392 [0,2,0,0,0,0|1,0,1]=4 134 B11R1.30 CCOC(=O)CC1=CC=CS1 OR14483 [0,2,0,0,0,0|0,1,0]=3 135 B11R1.30 CCOC(=O)CN1C=CC=N1 OR15197 [0,2,0,0,0,0|2,0,0]=4 136 B9R2.2 C1=CC(C2CC2)=NN1 OR303295 [1,0,0,1,0,0|2,0,0]=4 137 B9R2.3 C1=CN2CCCC2=N1 OR42179 [1,0,0,1,0,0|2,0,0]=4 138 B11R2.4 CC1NC1C2=CC=CC=C2 OR340189 [0,0,0,1,0,1|2,0,0]=4 139 B11R2.20 C1=CC2=C(C=C1)CNCC2 OR6521 [0,0,0,1,0,1|2,0,0]=4 140 B11R2.20 C1=CC2=C(CCCC2)N=C1 OR350369 [0,0,0,1,0,1|2,0,0]=4 141 B11R2.20 C1=CC=C2COCCC2=C1 OR28756 [0,0,0,1,0,1|1,0,0]=3 142 B11R2.20 C1=NC=C2CNCCC2=C1 OR313062 [0,0,0,1,0,1|2,0,0]=4 143 B11R2.2 C1=COC(C2CCCN2)=C1 OR11707 [0,1,0,1,0,0|1,0,0]=3 144 B11R2.2 C1=CSC(C2CCCN2)=C1 OR11706 [0,1,0,1,0,0|1,1,0]=4 145 B11R2.10 BrC1=CC2=C(CCCC2)S1 OR61152 [0,1,0,1,0,0|1,1,0]=4