0 B11R1.266 CC(C)C1=CC=CC(C#N)=N1 MC103606 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.266 CC(C)C1=CC=CC(CBr)=C1 MC103558 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.266 COC1=CC(C(=O)O)=CN=C1 CS20059 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.266 COC1=CC(C(C)N)=NC=C1 MC112203 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.266 COC1=CC(N(C)C)=CC=C1 MC445041 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.266 COC1=CC=CC(B(O)O)=N1 MC106709 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.266 COC1=CC=CC(C(=O)O)=N1 CS18200 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.266 COC1=CN=CC(B(O)O)=C1 MC431156 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.266 COC1=CN=CC(C(=O)O)=N1 CS14316 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.113 CC(=O)C1=CC(C)=CN=C1 CS16656 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.113 CC(=O)C1=NC(C)=CC=C1 CS18426 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.113 CC(C)C1=CC=CC(Br)=N1 MC434005 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.113 CC(C)C1=CC=CC(N)=N1 MC425411 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.113 CC(C)c1cccc(Br)c1 MC433484 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.113 CC(N)C1=CC(F)=CN=C1 MC106300 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.113 CC(N)C1=CC=CC(O)=C1 MC431437 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.113 CC(O)C1=NC(Br)=CC=C1 CS14015 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.113 CC1=CC(C(C)N)=CC=C1 CS17345 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.113 CC1=NC(C(=O)O)=CN=C1 MC10465 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.113 CN(C)C1=NC(Br)=CC=C1 MC442251 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.172 CCC1=CC=CC(C#N)=N1 MC104283 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.172 COC1=CC=CC(C#N)=N1 MC425417 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.172 COC1=CC=CC(C=O)=N1 CS20321 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.172 COC1=CC=CC(CCl)=C1 MC10324 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.172 COC1=CC=CC(CCl)=N1 CS16831 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.172 COC1=CC=CC(CN)=C1 CS19097 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.172 COC1=CC=CC(CO)=C1 CS19269 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.172 COC1=CC=CC(OC)=C1 CS19845 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.172 COC1=CC=CC(OC)=N1 MC433065 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.172 COC1=CN=CC(C#N)=C1 MC425494 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.172 COC1=CN=CC(C=O)=C1 CS17827 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.172 COC1=CN=CC(OC)=C1 CS17332 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.172 COC1=CN=CC(OC)=N1 MC425619 [1,0,0,0,0,0|1,0,0]=2 33 B10R1.172 COC1=NC(C#N)=CN=C1 CS10728 [1,0,0,0,0,0|1,0,1]=3 34 B10R1.172 COC1=NC(OC)=NC=C1 CS19530 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.172 COC1=NC=CC(CO)=N1 MC103739 [1,0,0,0,0,0|3,0,0]=4 36 B12R1.258 CC(=O)C1=CC(C(C)C)=CC=C1 MC443482 [0,1,0,0,0,0|3,0,0]=4 37 B12R1.258 CC(C)C1=CC([N+](=O)[O-])=CN=C1 CS16065 [0,1,0,0,0,0|3,0,0]=4 38 B12R1.258 CC(C)C1=CC=CC(C(=O)O)=N1 MC102189 [0,1,0,0,0,0|3,0,0]=4 39 B12R1.435 COC(=O)C1=NC(OC)=CC=C1 MC425550 [0,1,0,0,0,0|2,0,1]=4 40 B12R1.436 CC(C)(N)C1=CC=CC(C#N)=N1 MC111295 [0,1,0,0,0,0|3,0,0]=4 41 B12R1.436 CC(C)(N)C1=CC=CC(C#N)=N1 MC111296 [0,1,0,0,0,0|3,0,0]=4 42 B12R1.436 COC1=NC(C(F)(F)F)=CC=C1 MC431000 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.31 CC(C)C1=NC(CCl)=CS1 MC113790 [0,0,0,0,1,0|3,0,0]=4 44 B9R1.2 CC1=CC=CC(CBr)=N1 MC41602 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.2 CC1=CC=CC(CN)=N1 CS18414 [2,0,0,0,0,0|2,0,0]=4 46 B9R1.2 CC1=CC=CC(CO)=N1 MC20920 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.2 CC1=CN=CC(C#N)=N1 CS17295 [2,0,0,0,0,0|1,0,1]=4 48 B9R1.2 CC1=CN=CC(CCl)=C1 CS14445 [2,0,0,0,0,0|2,0,0]=4 49 B9R1.2 CC1=CN=CC(CCl)=N1 CS17402 [2,0,0,0,0,0|1,0,0]=3 50 B9R1.2 CC1=CN=CC(CO)=N1 CS15787 [2,0,0,0,0,0|1,0,0]=3 51 B9R1.2 CCC1=CC=CC(Br)=N1 CS15322 [2,0,0,0,0,0|2,0,0]=4 52 B9R1.2 CCC1=CC=CC(C)=C1 MC425590 [2,0,0,0,0,0|2,0,0]=4 53 B9R1.2 CCC1=CN=CC(Br)=C1 CS11907 [2,0,0,0,0,0|2,0,0]=4 54 B9R1.2 CNC1=NC(Cl)=CN=C1 CS10695 [2,0,0,0,0,0|2,0,0]=4 55 B9R1.2 COC1=CC=CC(Br)=N1 CS14301 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.2 COC1=CC=CC(Cl)=N1 CS13826 [2,0,0,0,0,0|2,0,0]=4 57 B9R1.2 COC1=CC=CC(F)=N1 CS13652 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.2 COC1=CC=CC(I)=N1 CS18075 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.2 COC1=CC=CC(N)=N1 CS13845 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.2 COC1=CC=CC(O)=N1 MC428307 [2,0,0,0,0,0|2,0,0]=4 61 B9R1.2 COC1=CN=CC(Br)=C1 MC427397 [2,0,0,0,0,0|2,0,0]=4 62 B9R1.2 COC1=CN=CC(Br)=N1 MC431625 [2,0,0,0,0,0|1,0,0]=3 63 B9R1.2 COC1=CN=CC(Cl)=N1 CS21483 [2,0,0,0,0,0|1,0,0]=3 64 B9R1.2 COC1=CN=CC(N)=C1 CS19973 [2,0,0,0,0,0|2,0,0]=4 65 B9R1.2 COC1=CN=CC(N)=N1 CS12541 [2,0,0,0,0,0|1,0,0]=3 66 B9R1.2 COC1=CN=CC(O)=C1 CS17819 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.2 COC1=NC(C)=CC=C1 CS15396 [2,0,0,0,0,0|1,0,0]=3 68 B9R1.2 COC1=NC(C)=NC=C1 CS11919 [2,0,0,0,0,0|2,0,0]=4 69 B9R1.2 NCC1=NC(Cl)=CN=C1 MC106438 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.2 NCC1=NC(Cl)=CN=C1 MC111184 [2,0,0,0,0,0|2,0,0]=4 71 B9R1.2 OCC1=NC(Cl)=CN=C1 CS16124 [2,0,0,0,0,0|2,0,0]=4 72 B9R1.6 CC(=O)C1=NC=CN=C1 CS19346 [2,0,0,0,0,0|1,0,1]=4 73 B9R1.6 CC(C)C1=NC=CC=C1 CS21621 [2,0,0,0,0,0|1,0,0]=3 74 B9R1.6 CC(N)C1=NC=CC=C1 CS15370 [2,0,0,0,0,0|2,0,0]=4 75 B9R1.6 CC(N)C1=NC=CC=C1 CS20271 [2,0,0,0,0,0|2,0,0]=4 76 B9R1.6 CC(N)C1=NC=CN=C1 CS12997 [2,0,0,0,0,0|1,0,0]=3 77 B9R1.6 CC(O)C1=NC=CC=C1 CS20801 [2,0,0,0,0,0|2,0,0]=4 78 B9R1.6 CC(O)C1=NC=CC=C1 MC20310 [2,0,0,0,0,0|2,0,0]=4 79 B11R1.21 CC(C)C1=CC(O)=C(I)C=C1 MC443561 [1,1,0,0,0,0|2,0,0]=4 80 B11R1.21 CC1=C(O)C=C(C(C)C)C=C1 MC20541 [1,1,0,0,0,0|2,0,0]=4 81 B11R1.23 COC(=O)C1=NC(C)=CN=C1 MC110937 [1,1,0,0,0,0|1,0,1]=4 82 B11R1.74 CC1=CC(N)=NC(C(C)C)=N1 MC425281 [1,1,0,0,0,0|2,0,0]=4 83 B11R1.74 CC1=NC(C(C)C)=CC(N)=N1 MC425907 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.155 CC(C)(C)C1=CC=CC(Br)=N1 MC106553 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.155 CC(C)(C)C1=CC=CC(O)=N1 MC429684 [1,1,0,0,0,0|1,0,0]=3 86 B11R1.155 CC(C)(N)C1=CC(Br)=CN=C1 MC105194 [1,1,0,0,0,0|2,0,0]=4 87 B11R1.155 CC(C)(N)C1=NC(Br)=CC=C1 MC111294 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.155 CC(C)(O)C1=CC=CC(O)=C1 MC105736 [1,1,0,0,0,0|2,0,0]=4 89 B11R1.155 CC(C)(O)C1=NC(Br)=CC=C1 CS16576 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.155 CC1=NC(C(F)(F)F)=CN=C1 MC430323 [1,1,0,0,0,0|2,0,0]=4 91 B11R1.159 CC(C)C1=C(O)C(O)=CC=C1 MC443613 [1,1,0,0,0,0|2,0,0]=4 92 B11R1.159 CC(C)C1=CC=CC(O)=C1F MC442499 [1,1,0,0,0,0|2,0,0]=4 93 B11R1.159 CC1=CC=CC(C(C)C)=C1N MC428273 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.167 CN(C)C1=NC(Br)=CN=C1N CS21261 [1,1,0,0,0,0|2,0,0]=4 95 B11R1.189 COC1=CC=CC(CCN)=C1 CS13916 [1,1,0,0,0,0|2,0,0]=4 96 B11R1.189 COC1=CC=CC(CCO)=C1 CS22342 [1,1,0,0,0,0|2,0,0]=4 97 B11R1.267 COC1=CN=CC(OC)=C1Br MC427086 [1,1,0,0,0,0|2,0,0]=4 98 B11R1.267 COC1=CN=CC(OC)=C1N MC443184 [1,1,0,0,0,0|2,0,0]=4 99 B11R1.280 COC1=CC=C(Br)C(CO)=N1 MC425581 [1,1,0,0,0,0|2,0,0]=4 100 B11R1.280 COC1=CC=C(Cl)C(CN)=N1 MC430257 [1,1,0,0,0,0|2,0,0]=4 101 B11R1.280 COC1=CC=C(Cl)C(CO)=N1 MC33478 [1,1,0,0,0,0|2,0,0]=4 102 B11R1.280 COC1=CC=C(N)C(OC)=N1 CS13926 [1,1,0,0,0,0|2,0,0]=4 103 B11R1.124 CNCC1=CSC(C(C)C)=N1 CS21623 [0,1,0,0,1,0|2,0,0]=4 104 B11R1.124 CNCC1=NC(C(C)C)=NO1 MC431467 [0,1,0,0,1,0|2,0,0]=4 105 B13R1.651 COC1=CC(C(C)C)=C(O)C=C1I MC115828 [0,2,0,0,0,0|2,0,0]=4 106 B13R1.646 COC1=NC=CC(C(OC)OC)=N1 CS17513 [0,2,0,0,0,0|2,0,0]=4 107 B13R1.2430 COC1=NC(C(C)C)C(OC)=NC1 CS20277 [0,2,0,0,0,0|0,0,2]=4 108 B11R2.35 BrC1=CC(C2CC2)=CN=C1 MC442247 [1,0,0,1,0,0|2,0,0]=4 109 B11R2.35 BrC1=NC(C2CC2)=CC=C1 MC442245 [1,0,0,1,0,0|2,0,0]=4 110 B9R1.35 CC(C)C1=CN=C(Br)S1 CS14917 [1,0,0,0,1,0|2,0,0]=4 111 B9R1.35 CC(C)C1=CSC(Br)=N1 MC432525 [1,0,0,0,1,0|2,0,0]=4 112 B9R1.35 CC(C)C1=CSC(N)=N1 MC443375 [1,0,0,0,1,0|2,0,0]=4 113 B9R1.35 CC1=NNC(C(C)C)=C1 MC431144 [1,0,0,0,1,0|2,0,0]=4 114 B9R1.14 COC1=CSC=C1OC CS10119 [1,0,0,0,1,0|2,0,0]=4 115 B11R1.157 CC(C)OC1=CC=CC(Br)=N1 MC431254 [1,0,0,0,0,1|2,0,0]=4 116 B11R1.157 CC(C)OC1=CC=CC(O)=C1 MC112598 [1,0,0,0,0,1|2,0,0]=4 117 B11R1.3 C(C)(N)C1=CC=C(OC)C=C1 MC20521 [0,0,0,0,1,1|2,0,0]=4 118 B11R1.3 COC1=CC=C(C(C)=O)C=N1 CS20044 [0,0,0,0,1,1|1,0,1]=4 119 B11R1.3 COC1=CC=C(C(C)C)C=C1 MC41346 [0,0,0,0,1,1|1,0,0]=3 120 B11R1.3 COC1=CC=C(C(C)N)C=C1 CS13954 [0,0,0,0,1,1|2,0,0]=4 121 B11R1.3 COC1=CC=C(N(C)C)C=C1 MC20811 [0,0,0,0,1,1|2,0,0]=4 122 B11R1.3 COC1=CN=C(C(C)=O)C=C1 MC105069 [0,0,0,0,1,1|1,0,1]=4