0 B9R1.11 C1=CSC(=C1)C(=O)CBr B165665 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.11 CCC(=O)C1=CC=CO1 P339593 [0,0,0,0,0,0|2,1,1]=4 2 B9R1.11 CCC(=O)C1=CC=CS1 P160666 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.11 CCC(=O)C1=NC=CS1 P160318 [0,0,0,0,0,0|1,0,1]=2 4 B9R1.11 COC(=O)C1=CC=CS1 M157944 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.7 C1=CSC(=N1)C(=N)N T175883 [1,0,0,0,0,0|2,0,1]=4 6 B8R1.7 C1=CSC(=N1)C(=O)O T131973 [1,0,0,0,0,0|2,0,1]=4 7 B8R1.7 C1=CSC(=N1)[N+](=O)[O-] N587486 [1,0,0,0,0,0|3,0,0]=4 8 B8R1.7 CC(=C1C=CC=C1)C D168651 [1,0,0,0,0,0|2,0,1]=4 9 B8R1.7 CC(=O)C1=CC=CS1 A109378 [1,0,0,0,0,0|2,0,1]=4 10 B8R1.7 CC(=O)C1=NC=CS1 A124071 [1,0,0,0,0,0|1,0,1]=3 11 B8R1.7 CC(C)C1=CC=NN1 I400398 [1,0,0,0,0,0|2,0,1]=4 12 B8R1.7 CC(C)C1=NC=CN1 I136584 [1,0,0,0,0,0|1,0,0]=2 13 B8R1.7 CC(C)C1=[C-]CC=C1 B283047 [1,0,0,0,0,0|2,0,1]=4 14 B8R1.7 CC(C)N1C=CC=N1 I157629 [1,0,0,0,0,0|2,0,0]=3 15 B8R1.7 CC(C)[C-]1C=CC=C1 S281762 [1,0,0,0,0,0|2,0,1]=4 16 B8R1.7 CC(C1=CC=CO1)O R588542 [1,0,0,0,0,0|2,1,0]=4 17 B8R1.7 CC(C1=CC=CO1)O x170274 [1,0,0,0,0,0|2,1,0]=4 18 B8R1.8 C1=CN(N=C1)CCO H185686 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.8 C1=CSC(=C1)CC#N T117284 [1,0,0,0,0,0|2,0,1]=4 20 B8R1.8 C1=CSC(=C1)CCN T107627 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.8 C1=CSC(=C1)CCN T493549 [1,0,0,0,0,0|2,0,0]=3 22 B8R1.8 C1=CSC(=C1)CCO T107405 [1,0,0,0,0,0|2,0,0]=3 23 B8R1.8 CCCC1=CC=CO1 P160277 [1,0,0,0,0,0|1,1,0]=3 24 B8R1.8 CCCC1=CC=CS1 P167542 [1,0,0,0,0,0|1,0,0]=2 25 B8R1.8 CCCC1=CSC=C1 P160669 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.8 CCCC1=NC=CN1 P135164 [1,0,0,0,0,0|1,0,0]=2 27 B8R1.8 CCCC1=NC=CS1 P160319 [1,0,0,0,0,0|0,0,0]=1 28 B8R1.8 CCCC1=NCCN1 P302987 [1,0,0,0,0,0|1,0,2]=4 29 B8R1.8 CCCC1=NCCO1 P160311 [1,0,0,0,0,0|0,1,2]=4 30 B8R1.8 CCOC1=NC=CS1 E135543 [1,0,0,0,0,0|1,0,0]=2 31 B8R1.8 CNCC1=CC=CO1 I170508 [1,0,0,0,0,0|2,1,0]=4 32 B8R1.8 CSCC1=CC=CO1 F102908 [1,0,0,0,0,0|2,1,0]=4 33 B8R1.8 NCCC1=C[NH]C=N1 H408357 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.11 C1=CSC(=C1)C(=O)CCCl C354151 [0,1,0,0,0,0|2,0,1]=4 35 B10R1.11 C1=CSC(=C1)C(CCCl)O A354219 [0,1,0,0,0,0|2,0,0]=3 36 B10R1.11 CCOC(=O)C1=CC=CS1 E113851 [0,1,0,0,0,0|2,0,1]=4 37 B10R1.11 CCOC(=O)C1=NC=CN1 E124091 [0,1,0,0,0,0|2,0,1]=4 38 B10R1.11 CCOC(=O)C1=NC=CN1 E501359 [0,1,0,0,0,0|2,0,1]=4 39 B10R1.11 CCOC(=O)C1=NC=CS1 E190966 [0,1,0,0,0,0|1,0,1]=3 40 B10R1.14 CC1=CSC(=N1)C(=O)OC M587284 [0,1,0,0,0,0|2,0,1]=4 41 B10R1.14 CCC(=O)C1=CC=C(S1)Br B169569 [0,1,0,0,0,0|2,0,1]=4 42 B8R0.3 CCC(C)C(=O)C=CC W136042 [0,0,1,0,0,0|1,1,1]=4 43 B10R1.15 CC(C1=CC=CC=C1)NC I168221 [0,0,0,0,0,1|3,0,0]=4 44 B10R1.15 CC(C1=CC=CC=C1)NC I171118 [0,0,0,0,0,1|3,0,0]=4 45 B10R1.15 CC(C1=CC=CC=C1)NC I286935 [0,0,0,0,0,1|3,0,0]=4 46 B10R1.15 CC(CN)C1=CC=CC=C1 P191947 [0,0,0,0,0,1|3,0,0]=4 47 B10R1.15 CC(CN)C1=CC=CC=C1 R160849 [0,0,0,0,0,1|3,0,0]=4 48 B10R1.15 CC(CO)C1=CC=CC=C1 P160710 [0,0,0,0,0,1|3,0,0]=4 49 B10R1.15 CC(CO)C1=CC=CC=C1 R489486 [0,0,0,0,0,1|3,0,0]=4 50 B10R1.15 CCC(=O)C1=CN=CC=C1 P131764 [0,0,0,0,0,1|2,0,1]=4 51 B10R1.15 CCC(C)C1=CC=CC=C1 B100253 [0,0,0,0,0,1|2,0,0]=3 52 B10R1.15 CCC(C)C1=CC=CC=C1 B100254 [0,0,0,0,0,1|2,0,0]=3 53 B10R1.15 CCC(C)C1=CC=CC=C1 B128164 [0,0,0,0,0,1|2,0,0]=3 54 B10R1.15 CCC(C1=CC=CC=C1)N E334013 [0,0,0,0,0,1|3,0,0]=4 55 B10R1.15 CCC(C1=CC=CC=C1)N R138647 [0,0,0,0,0,1|3,0,0]=4 56 B10R1.15 CCC(C1=CC=CC=C1)N R639496 [0,0,0,0,0,1|3,0,0]=4 57 B10R1.15 CCC(C1=CC=CC=C1)N S135110 [0,0,0,0,0,1|3,0,0]=4 58 B10R1.15 CCC(C1=CC=CC=C1)O P107008 [0,0,0,0,0,1|3,0,0]=4 59 B10R1.15 CCC(C1=CC=CC=C1)O R138307 [0,0,0,0,0,1|3,0,0]=4 60 B10R1.15 CCC(C1=CC=CC=C1)O S161360 [0,0,0,0,0,1|3,0,0]=4 61 B10R1.15 CCC(C1=CC=CC=N1)N P586083 [0,0,0,0,0,1|2,0,0]=3 62 B10R1.15 CCN(C)C1=CC=CC=C1 N589658 [0,0,0,0,0,1|3,0,0]=4 63 B10R1.15 C[C@H](CO)C1=CC=CC=C1 S489449 [0,0,0,0,0,1|3,0,0]=4 64 B7R0.3 CCC(C=CC=O)O E347259 [1,0,1,0,0,0|1,1,0]=4 65 B7R0.7 CCCC(=O)OC=C V162944 [1,0,1,0,0,0|1,1,0]=4 66 B7R1.1 C1=CN=C(N1)CN A168767 [2,0,0,0,0,0|2,0,0]=4 67 B7R1.1 C1=CSC(=C1)CN T107120 [2,0,0,0,0,0|2,0,0]=4 68 B7R1.1 C1=CSC(=C1)CO T162809 [2,0,0,0,0,0|2,0,0]=4 69 B7R1.1 C1=CSC(=C1)CS T134394 [2,0,0,0,0,0|2,0,0]=4 70 B7R1.1 C1=CSC(=N1)C=O T107968 [2,0,0,0,0,0|1,0,1]=4 71 B7R1.1 C1=CSC(=N1)CO H157271 [2,0,0,0,0,0|1,0,0]=3 72 B7R1.1 CCC1=CC=CN1 E156214 [2,0,0,0,0,0|1,0,1]=4 73 B7R1.1 CCC1=CC=CO1 E102538 [2,0,0,0,0,0|1,1,0]=4 74 B7R1.1 CCC1=CC=CO1 E141264 [2,0,0,0,0,0|1,1,0]=4 75 B7R1.1 CCC1=CC=CS1 E101589 [2,0,0,0,0,0|1,0,0]=3 76 B7R1.1 CCC1=CC=C[CH-]1 D166828 [2,0,0,0,0,0|2,0,0]=4 77 B7R1.1 CCC1=NC=CN1 E137989 [2,0,0,0,0,0|1,0,0]=3 78 B7R1.1 CCN1C=CC=N1 E156393 [2,0,0,0,0,0|2,0,0]=4 79 B7R1.1 COC1=CC=CS1 M103170 [2,0,0,0,0,0|2,0,0]=4 80 B7R1.1 COC1=NC=CS1 M158486 [2,0,0,0,0,0|1,0,0]=3 81 B7R1.1 CSC1=CC=CS1 M123048 [2,0,0,0,0,0|2,0,0]=4 82 B7R1.1 CSC1=NC=CS1 M158485 [2,0,0,0,0,0|1,0,0]=3 83 B9R1.19 CC(C)(C)C1=CC=CO1 T339365 [1,1,0,0,0,0|1,1,0]=4 84 B9R1.19 CC(C)(C)C1=NC=CN1 H176291 [1,1,0,0,0,0|1,0,0]=3 85 B9R1.19 C[Si](C)(C)C1=CC=CS1 T161476 [1,1,0,0,0,0|1,1,0]=4 86 B9R1.19 C[Si](C)(C)C1=NC=CS1 T113982 [1,1,0,0,0,0|0,1,0]=3 87 B9R1.35 CC(C)C1=CN=C(S1)Br B586458 [1,1,0,0,0,0|2,0,0]=4 88 B9R1.35 CC(C)N1C=C(C=N1)Br B152228 [1,1,0,0,0,0|2,0,0]=4 89 B9R1.35 CC1=CSC(=N1)C(=O)C A469639 [1,1,0,0,0,0|1,0,1]=4 90 B9R1.35 CC1=CSC(=N1)C(C)C I102627 [1,1,0,0,0,0|0,0,0]=2 91 B9R1.7 CCCC1=NN=C(O1)N P341058 [1,1,0,0,0,0|1,1,0]=4 92 B9R1.7 CCCN1C=C(C=N1)Cl C586583 [1,1,0,0,0,0|2,0,0]=4 93 B9R1.7 CCSC1=NN=C(S1)N A420017 [1,1,0,0,0,0|2,0,0]=4 94 B9R1.7 CCSC1=NNC(=S)S1 E169974 [1,1,0,0,0,0|2,0,0]=4 95 B9R1.12 CCCCC1=CC=CO1 B152372 [1,1,0,0,0,0|1,1,0]=4 96 B9R1.12 CCCCC1=CC=CS1 N189024 [1,1,0,0,0,0|1,0,0]=3 97 B9R1.12 CCCCC1=NC=CN1 B152375 [1,1,0,0,0,0|1,0,0]=3 98 B9R1.13 CC(=O)NC1=NC=CS1 A151213 [1,1,0,0,0,0|1,0,1]=4 99 B9R1.13 CC(C)CC1=NC=CS1 I157522 [1,1,0,0,0,0|0,0,0]=2 100 B11R1.7 CCC(C)(C)C1=CC=CC=C1 A102508 [0,1,0,0,0,1|2,0,0]=4 101 B11R1.7 CCC(C)(C1=CC=CC=C1)O P474236 [0,1,0,0,0,1|2,0,0]=4 102 B11R1.12 B(CC)(CC)C1=CN=CC=C1 D122653 [0,1,0,0,0,1|2,0,0]=4 103 B11R1.12 CCC(CC)C1=CC=CC=N1 P136764 [0,1,0,0,0,1|1,0,0]=3 104 B11R1.16 CC(CCO)C1=CC=CC=C1 P169190 [0,1,0,0,0,1|2,0,0]=4 105 B11R1.16 CC(CCO)C1=CC=CC=C1 P638679 [0,1,0,0,0,1|2,0,0]=4 106 B11R1.16 CC(CNC)C1=CC=CC=C1 P342591 [0,1,0,0,0,1|2,0,0]=4 107 B11R1.22 CCC(C)C1=CC=C(C=C1)Br B136925 [0,1,0,0,0,1|2,0,0]=4 108 B11R1.22 CCC(C)C1=CC=C(C=C1)N S161429 [0,1,0,0,0,1|2,0,0]=4 109 B11R1.22 CCC(C)C1=CC=C(C=C1)O S161081 [0,1,0,0,0,1|2,0,0]=4 110 B11R1.222 CCC(C)C1=CC=CC=C1O S161080 [0,1,0,0,0,1|2,0,0]=4 111 B11R1.15 CCOC(=O)C1=NC=C(S1)Br E586574 [0,2,0,0,0,0|1,0,1]=4 112 B11R1.15 CCOC(C)N1C=C(C=N1)I E176837 [0,2,0,0,0,0|2,0,0]=4 113 B11R1.29 CNCCC(C1=CC=CS1)O S160977 [0,2,0,0,0,0|2,0,0]=4 114 B11R2.1 C1CC2=C(C1O)C=CC=N2 D586296 [0,0,0,1,0,1|2,0,0]=4 115 B11R2.1 CC1CCC2=CC=CC=C12 M304586 [0,0,0,1,0,1|2,0,0]=4 116 B11R2.1 CC1CCC2=NC=CN=C12 M111400 [0,0,0,1,0,1|1,0,0]=3 117 B11R2.2 C1COC(O1)C2=CC=CS2 T162831 [0,1,0,1,0,0|2,0,0]=4 118 B11R2.352 C1CC(C1)C2=NN=C(O2)N C171285 [0,1,0,1,0,0|1,1,0]=4 119 B9R1.6 CC(C)C1=CC=CC=C1 I101049 [1,0,0,0,0,1|2,0,0]=4 120 B9R1.6 CC(C)C1=CC=CC=C1 I101050 [1,0,0,0,0,1|2,0,0]=4 121 B9R1.6 CC(C)C1=CC=CC=C1 I101052 [1,0,0,0,0,1|2,0,0]=4 122 B9R1.6 CC(C)C1=CC=CC=N1 I177046 [1,0,0,0,0,1|1,0,0]=3 123 B9R1.6 CC(C)C1=CC=NC=C1 I136834 [1,0,0,0,0,1|2,0,0]=4 124 B9R1.6 CC(C1=CC=CC=N1)N P589080 [1,0,0,0,0,1|2,0,0]=4 125 B9R1.6 CC(C1=CC=CC=N1)O P191765 [1,0,0,0,0,1|2,0,0]=4 126 B9R1.6 CC(C1=CC=CC=N1)O R404547 [1,0,0,0,0,1|2,0,0]=4 127 B9R1.6 CC(C1=CC=CC=N1)O S161029 [1,0,0,0,0,1|2,0,0]=4 128 B9R1.6 CC(C1=CN=CC=C1)N P193948 [1,0,0,0,0,1|2,0,0]=4 129 B9R1.6 CN(C)C1=CC=CC=N1 D154133 [1,0,0,0,0,1|2,0,0]=4 130 B9R1.6 C[Si](C)C1=CC=CC=N1 D331179 [1,0,0,0,0,1|1,1,0]=4 131 B9R1.8 C1=CC(=CN=C1)CCN A151786 [1,0,0,0,0,1|2,0,0]=4 132 B9R1.8 C1=CC(=CN=C1)CCN A169450 [1,0,0,0,0,1|2,0,0]=4 133 B9R1.8 C1=CC=NC(=C1)CCBr B186289 [1,0,0,0,0,1|2,0,0]=4 134 B9R1.8 C1=CC=NC(=C1)CCN A151790 [1,0,0,0,0,1|2,0,0]=4 135 B9R1.8 C1=CC=NC(=C1)CCO P160791 [1,0,0,0,0,1|2,0,0]=4 136 B9R1.8 C1=CN=C(C=N1)CCS M103122 [1,0,0,0,0,1|2,0,0]=4 137 B9R1.8 CCCC1=CC=CC=C1 P104621 [1,0,0,0,0,1|2,0,0]=4 138 B9R1.8 CCCC1=CC=CC=C1 P104624 [1,0,0,0,0,1|2,0,0]=4 139 B9R1.8 CCCC1=CC=CC=C1 P104625 [1,0,0,0,0,1|2,0,0]=4 140 B9R1.8 CCCC1=CC=CC=C1 P104626 [1,0,0,0,0,1|2,0,0]=4 141 B9R1.8 CCCC1=CC=CC=C1 P128158 [1,0,0,0,0,1|2,0,0]=4 142 B9R1.8 CCCC1=CC=CC=N1 P160637 [1,0,0,0,0,1|1,0,0]=3 143 B9R1.8 CCCC1=CC=NC=C1 P160632 [1,0,0,0,0,1|2,0,0]=4 144 B9R1.8 CCCC1=NC=CN=C1 P132679 [1,0,0,0,0,1|1,0,0]=3 145 B9R1.8 CCOC1=CC=CC=N1 E137467 [1,0,0,0,0,1|2,0,0]=4 146 B9R1.8 CCOC1=NC=CN=C1 E136587 [1,0,0,0,0,1|2,0,0]=4 147 B9R1.8 CNCC1=CC=CC=N1 M168526 [1,0,0,0,0,1|2,0,0]=4 148 B9R1.8 CNCC1=CN=CC=C1 M138441 [1,0,0,0,0,1|2,0,0]=4 149 B11R1.25 CCC(C)SSC1=NC=CN1 M421531 [0,0,0,0,0,2|1,0,0]=3 150 B11R1.25 CCC(C)SSC1=NC=CN1 P167211 [0,0,0,0,0,2|1,0,0]=3