0 B13R2.3028 CC1=CC=C2N=C(N)N(C)C2=C1 SY027889 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.3028 CC1=CC=C2NC(=O)C(=O)C2=C1 SY007230 [0,0,0,0,0,0|2,0,1]=3 2 B13R2.3028 CN1C(=O)CC2=C1C=C(N)C=C2 SY097175 [0,0,0,0,0,0|3,0,0]=3 3 B13R2.3028 CN1C(=O)NC2=CC=C(Br)C=C21 SY074812 [0,0,0,0,0,0|1,1,0]=2 4 B13R2.3028 CN1C(=O)NC2=CC=C(Cl)N=C21 SY036671 [0,0,0,0,0,0|2,1,0]=3 5 B13R2.3028 CN1C(=O)NC2=CC=C(N)C=C21 SY292247 [0,0,0,0,0,0|2,0,0]=2 6 B13R2.3028 CN1C(=O)NC2=CN=C(Cl)N=C21 SY036668 [0,0,0,0,0,0|3,1,0]=4 7 B13R2.3028 CN1C(=O)NC2=NC=C(Br)C=C21 SY295198 [0,0,0,0,0,0|2,1,0]=3 8 B13R2.3028 CN1C(=O)SC2=CC=C(N)C=C21 SY223503 [0,0,0,0,0,0|3,0,0]=3 9 B13R2.3028 CN1C2=CC(F)=CC=C2N=C1N SY027893 [0,0,0,0,0,0|2,0,1]=3 10 B13R2.3028 O=C1NC2=C(C=C(Cl)C=C2)C1=O SY001523 [0,0,0,0,0,0|1,1,1]=3 11 B13R2.3028 O=C1NC2=C(C=C(F)C=C2)C1=O SY001816 [0,0,0,0,0,0|1,0,1]=2 12 B12R2.18 CC1=CC2=C(C=CC=C2)N1C SY004658 [1,0,0,0,0,0|3,0,0]=4 13 B12R2.18 CN1C(=O)CC2=C1C=CC=C2 SY042826 [1,0,0,0,0,0|2,0,0]=3 14 B12R2.18 CN1C(=O)NC2=CC=CC=C21 SY045893 [1,0,0,0,0,0|1,0,0]=2 15 B12R2.18 CN1C(Br)=CC2=C1C=CC=C2 SY247582 [1,0,0,0,0,0|3,0,0]=4 16 B12R2.18 O=C1CC2=C(C=CC=C2)C1=O SY016747 [1,0,0,0,0,0|2,0,1]=4 17 B12R2.18 O=C1NC2=CC=CC=C2C1=O SY005277 [1,0,0,0,0,0|1,0,1]=3 18 B12R2.18 O=C1NC2=NC=CC=C2C1=O SY107993 [1,0,0,0,0,0|2,0,1]=4 19 B12R2.18 O=C1OC2=CC=CC=C2C1=O SY023499 [1,0,0,0,0,0|2,0,1]=4 20 B12R2.132 CC1=CNC2=C1C=C(Br)C=C2 SY062850 [1,0,0,0,0,0|2,1,0]=4 21 B12R2.132 CN1C=CC2=C1C=C(N)C=C2 SY006491 [1,0,0,0,0,0|3,0,0]=4 22 B12R2.132 CN1C=NC2=CC=C(N)C=C21 SY104268 [1,0,0,0,0,0|2,0,1]=4 23 B12R2.132 FC1=CC2=C(N=C1)NC=C2Br SY036373 [1,0,0,0,0,0|3,0,0]=4 24 B12R2.132 NC1=CNC2=C1C=C(Br)C=C2 SY310389 [1,0,0,0,0,0|2,1,0]=4 25 B12R2.132 ON1N=NC2=C1C=C(Cl)C=C2 SY004292 [1,0,0,0,0,0|1,1,1]=4 26 B12R2.606 CC1=CC2=C(C=C(Br)C=C2)N1 SY043096 [1,0,0,0,0,0|2,1,0]=4 27 B12R2.606 CC1=CC2=C(C=C(F)C=C2)N1 SY064418 [1,0,0,0,0,0|2,0,0]=3 28 B12R2.606 CC1=CC2=C(C=C1)CC(=O)N2 SY020777 [1,0,0,0,0,0|2,0,0]=3 29 B12R2.606 CC1=CC2=C(C=CC(Cl)=C2)N1 SY036807 [1,0,0,0,0,0|2,1,0]=4 30 B12R2.606 CC1=CC2=CC(Br)=CC=C2N1 SY019005 [1,0,0,0,0,0|2,1,0]=4 31 B12R2.606 CC1=CC=C2NC(=O)NC2=C1 SY045908 [1,0,0,0,0,0|1,0,0]=2 32 B12R2.606 CC1=CC=C2NC(=O)OC2=C1 SY081557 [1,0,0,0,0,0|2,0,0]=3 33 B12R2.606 CC1=CC=C2NC(=S)OC2=C1 SY130029 [1,0,0,0,0,0|2,1,0]=4 34 B12R2.606 CC1=NC2=CC(Br)=CC=C2N1 SY033061 [1,0,0,0,0,0|1,1,1]=4 35 B12R2.606 CC1=NC2=CC(F)=CC=C2O1 SY018734 [1,0,0,0,0,0|2,0,1]=4 36 B12R2.606 CC1=NC2=CC=C(F)C=C2O1 SY129999 [1,0,0,0,0,0|2,0,1]=4 37 B12R2.606 CC1=NC2=CC=C(N)C=C2N1 SY029620 [1,0,0,0,0,0|2,0,1]=4 38 B12R2.606 CC1CC2=C(C=CC(F)=C2)N1 SY034702 [1,0,0,0,0,0|2,0,1]=4 39 B12R2.606 ClC1=CC2=C(C=C1)NC(I)=C2 SY039517 [1,0,0,0,0,0|2,1,0]=4 40 B12R2.606 ClC1=CC=C2NC(Cl)=NC2=C1 SY083356 [1,0,0,0,0,0|1,1,1]=4 41 B12R2.606 ClC1=NC2=CC(I)=CC=C2N1 SY112522 [1,0,0,0,0,0|1,1,1]=4 42 B12R2.606 ClC1=NC2=CC=C(Br)C=C2N1 SY029217 [1,0,0,0,0,0|1,1,1]=4 43 B12R2.606 FC1=CC2=C(C=C1)N=C(Cl)S2 SY013791 [1,0,0,0,0,0|2,0,1]=4 44 B12R2.606 FC1=CC=C2N=C(Br)SC2=C1 SY027149 [1,0,0,0,0,0|2,0,1]=4 45 B12R2.606 FC1=CC=C2N=C(Cl)OC2=C1 SY112662 [1,0,0,0,0,0|2,0,1]=4 46 B12R2.606 FC1=CC=C2N=C(S)SC2=C1 SY211102 [1,0,0,0,0,0|1,1,1]=4 47 B12R2.606 FC1=CC=C2NC(=S)OC2=C1 SY130031 [1,0,0,0,0,0|1,1,0]=3 48 B12R2.606 FC1=CC=C2NC(Cl)=NC2=C1 SY039603 [1,0,0,0,0,0|1,0,1]=3 49 B12R2.606 FC1=CC=C2OC(=S)NC2=C1 SY067559 [1,0,0,0,0,0|1,1,0]=3 50 B12R2.606 FC1=CC=C2OC(Cl)=NC2=C1 SY130047 [1,0,0,0,0,0|2,0,1]=4 51 B12R2.606 NC1=CC2=C(C=C1)CC(=O)N2 SY030708 [1,0,0,0,0,0|2,0,0]=3 52 B12R2.606 NC1=CC2=C(C=C1)NC(=O)C2 SY031781 [1,0,0,0,0,0|2,0,0]=3 53 B12R2.606 NC1=CC=C2NC(=O)NC2=C1 SY007179 [1,0,0,0,0,0|1,0,0]=2 54 B12R2.606 NC1=CC=C2NC(=O)OC2=C1 SY031786 [1,0,0,0,0,0|2,0,0]=3 55 B12R2.606 NC1=CC=C2NC(=O)SC2=C1 SY031792 [1,0,0,0,0,0|2,0,0]=3 56 B12R2.606 NC1=CC=C2NC(=S)OC2=C1 SY130021 [1,0,0,0,0,0|2,1,0]=4 57 B12R2.606 NC1=CC=C2OC(=O)NC2=C1 SY043261 [1,0,0,0,0,0|2,0,0]=3 58 B12R2.606 NC1=NC2=CC(Br)=CC=C2N1 SY039615 [1,0,0,0,0,0|1,1,1]=4 59 B12R2.606 NC1=NC2=CC(F)=CC=C2N1 SY039616 [1,0,0,0,0,0|1,0,1]=3 60 B12R2.606 NC1=NC2=CC(F)=CC=C2O1 SY130059 [1,0,0,0,0,0|2,0,1]=4 61 B12R2.606 NC1=NC2=CC(F)=CC=C2S1 SY037891 [1,0,0,0,0,0|2,0,1]=4 62 B12R2.606 NC1=NC2=CC=C(Cl)C=C2N1 SY041922 [1,0,0,0,0,0|1,1,1]=4 63 B12R2.606 NC1=NC2=CC=C(F)C=C2O1 SY086886 [1,0,0,0,0,0|2,0,1]=4 64 B12R2.606 NC1=NC2=CC=C(F)C=C2S1 SY030627 [1,0,0,0,0,0|2,0,1]=4 65 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)C1 SY040582 [1,0,0,0,0,0|2,1,0]=4 66 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)N1 SY002545 [1,0,0,0,0,0|1,1,0]=3 67 B12R2.606 O=C1CC2=C(C=C(Cl)N=C2)N1 SY031690 [1,0,0,0,0,0|2,1,0]=4 68 B12R2.606 O=C1CC2=C(C=C(F)C=C2)N1 SY028412 [1,0,0,0,0,0|1,0,0]=2 69 B12R2.606 O=C1CC2=C(C=C(O)C=C2)N1 SY023129 [1,0,0,0,0,0|2,0,0]=3 70 B12R2.606 O=C1CC2=C(C=CC(Br)=C2)N1 SY008441 [1,0,0,0,0,0|1,1,0]=3 71 B12R2.606 O=C1CC2=C(C=CC(F)=C2)N1 SY002547 [1,0,0,0,0,0|1,0,0]=2 72 B12R2.606 O=C1CC2=C(C=CC(I)=C2)N1 SY004828 [1,0,0,0,0,0|1,1,0]=3 73 B12R2.606 O=C1CC2=C(N=CC(Br)=C2)N1 SY005427 [1,0,0,0,0,0|2,1,0]=4 74 B12R2.606 O=C1CC2=CC(Cl)=CC=C2O1 SY285548 [1,0,0,0,0,0|2,1,0]=4 75 B12R2.606 O=C1CC2=CC=C(Br)C=C2N1 SY004439 [1,0,0,0,0,0|1,1,0]=3 76 B12R2.606 O=C1CC2=CC=C(Cl)N=C2N1 SY031668 [1,0,0,0,0,0|2,1,0]=4 77 B12R2.606 O=C1CC2=NC=C(Cl)C=C2N1 SY033632 [1,0,0,0,0,0|2,1,0]=4 78 B12R2.606 O=C1NC2=CC(Br)=CC=C2O1 SY038495 [1,0,0,0,0,0|1,1,0]=3 79 B12R2.606 O=C1NC2=CC(Br)=CN=C2N1 SY039604 [1,0,0,0,0,0|1,1,0]=3 80 B12R2.606 O=C1NC2=CC(Br)=CN=C2O1 SY059599 [1,0,0,0,0,0|2,1,0]=4 81 B12R2.606 O=C1NC2=CC(Cl)=CN=C2O1 SY130169 [1,0,0,0,0,0|2,1,0]=4 82 B12R2.606 O=C1NC2=CC(F)=CC=C2O1 SY101449 [1,0,0,0,0,0|1,0,0]=2 83 B12R2.606 O=C1NC2=CC(I)=CC=C2O1 SY268394 [1,0,0,0,0,0|1,1,0]=3 84 B12R2.606 O=C1NC2=CC=C(Br)C=C2N1 SY004487 [1,0,0,0,0,0|0,1,0]=2 85 B12R2.606 O=C1NC2=CC=C(Br)C=C2O1 SY038492 [1,0,0,0,0,0|1,1,0]=3 86 B12R2.606 O=C1NC2=CC=C(Br)C=C2S1 SY026443 [1,0,0,0,0,0|1,1,0]=3 87 B12R2.606 O=C1NC2=CC=C(Cl)N=C2N1 SY033540 [1,0,0,0,0,0|1,1,0]=3 88 B12R2.606 O=C1NC2=CC=C(F)C=C2N1 SY039596 [1,0,0,0,0,0|0,0,0]=1 89 B12R2.606 O=C1NC2=CC=C(O)C=C2S1 SY261696 [1,0,0,0,0,0|2,0,0]=3 90 B12R2.606 O=C1NC2=NC(Br)=CC=C2O1 SY059597 [1,0,0,0,0,0|2,1,0]=4 91 B12R2.606 O=C1NC2=NC=C(Br)C=C2O1 SY007993 [1,0,0,0,0,0|2,1,0]=4 92 B12R2.606 O=C1NC2=NC=C(Cl)C=C2O1 SY028333 [1,0,0,0,0,0|2,1,0]=4 93 B12R2.606 S=C1NC2=CC(Br)=CC=C2O1 SY113276 [1,0,0,0,0,0|1,2,0]=4 94 B14R2.645 CC1=CC2=C(C=C1C)C(=O)C(=O)N2 SY173224 [0,1,0,0,0,0|2,0,1]=4 95 B14R2.645 O=C1NC2=C(C=C(Br)C(Br)=C2)C1=O SY105804 [0,1,0,0,0,0|1,1,1]=4 96 B14R2.645 O=C1NC2=C(C=C(Br)C(F)=C2)C1=O SY176090 [0,1,0,0,0,0|1,1,1]=4 97 B14R2.645 O=C1NC2=C(C=C(Cl)C(Cl)=C2)C1=O SY039229 [0,1,0,0,0,0|1,1,1]=4 98 B14R2.645 O=C1NC2=C(C=C(Cl)C(F)=C2)C1=O SY035417 [0,1,0,0,0,0|1,1,1]=4 99 B14R2.645 O=C1NC2=C(C=C(F)C(Br)=C2)C1=O SY129332 [0,1,0,0,0,0|1,0,1]=3 100 B14R2.645 O=C1NC2=C(C=C(F)C(Cl)=C2)C1=O SY002458 [0,1,0,0,0,0|1,0,1]=3 101 B14R2.645 O=C1NC2=CC(F)=C(F)C=C2C1=O SY012046 [0,1,0,0,0,0|1,0,1]=3 102 B14R2.1060 O=CC1=C(Cl)C2=C(C=CC(F)=C2)C1 SY264324 [0,1,0,0,0,0|3,0,0]=4 103 B14R2.3274 C#CC1=CC2=C(C=C1)NC(=O)C2=O SY278412 [0,1,0,0,0,0|2,0,1]=4 104 B14R2.3274 COC1=CC2=C(C=C1)NC(=O)C2=O SY021560 [0,1,0,0,0,0|2,0,1]=4 105 B14R2.4506 CC1=C(Br)C2=C(C=C1)NC(=O)C2=O SY002069 [0,1,0,0,0,0|2,0,1]=4 106 B14R2.4506 O=C1NC2=C(C1=O)C(Cl)=C(Cl)C=C2 SY030680 [0,1,0,0,0,0|1,1,1]=4 107 B14R2.4506 O=C1NC2=CC=C(F)C(Br)=C2C1=O SY100498 [0,1,0,0,0,0|1,0,1]=3 108 B14R2.4507 CC1(C)C(=O)NC2=C1C=C(Br)C=C2 SY099247 [0,1,0,0,0,0|2,1,0]=4 109 B14R2.4507 O=C1NC2=C(C=C(Br)C=C2)C1(F)F SY248188 [0,1,0,0,0,0|2,1,0]=4 110 B14R2.8716 CN1C(=O)C(=O)C2=C1C=CC(Br)=C2 SY051137 [0,1,0,0,0,0|1,1,1]=4 111 B14R2.8716 CN1C(=O)N(C)C2=CC(N)=CC=C21 SY031785 [0,1,0,0,0,0|2,0,0]=3 112 B14R2.9184 CC1=CC2=C(NC(=O)C2=O)C(Br)=C1 SY058391 [0,1,0,0,0,0|2,0,1]=4 113 B14R2.9184 CC1=CC2=C(NC(=O)C2=O)C(C)=C1 SY078910 [0,1,0,0,0,0|2,0,1]=4 114 B14R2.9184 O=C1NC2=C(C=C(Br)C=C2Cl)C1=O SY185329 [0,1,0,0,0,0|1,1,1]=4 115 B14R2.9184 O=C1NC2=C(C=C(Cl)C=C2Cl)C1=O SY004423 [0,1,0,0,0,0|1,1,1]=4 116 B14R2.9184 O=C1NC2=C(C=C(F)C=C2Br)C1=O SY058392 [0,1,0,0,0,0|1,0,1]=3 117 B12R1.49 C=CC(=O)NC1=CC=C(O)C=C1 SY288307 [0,0,1,0,0,0|3,0,0]=4 118 B12R1.49 CCC(=O)NC1=CC=C(O)C=C1 SY139358 [0,0,1,0,0,0|3,0,0]=4 119 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 SY041951 [0,0,1,0,0,0|3,0,0]=4 120 B12R1.49 O=C(CCl)NC1=CC=C(Cl)C=C1 SY081416 [0,0,1,0,0,0|2,1,0]=4 121 B12R1.225 NC(C(=O)O)C1=CC=CC(F)=C1 SY015758 [0,0,1,0,0,0|3,0,0]=4 122 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(Cl)=C1 SY239962 [0,0,1,0,0,0|2,1,0]=4 123 B14R2.4513 CN1C(=O)COC2=CC=C(N)C=C21 SY192499 [0,0,0,0,0,1|3,0,0]=4 124 B14R2.4513 CN1C(=O)CSC2=CC=C(N)C=C21 SY264738 [0,0,0,0,0,1|3,0,0]=4 125 B14R2.8235 CC1=CC2=C(C=C1)NC(=O)NC2=O SY045935 [0,0,0,0,0,1|2,0,1]=4 126 B14R2.8235 CC1=CC2=C(C=C1)OC(=O)C=C2O SY050960 [0,0,0,0,0,1|3,0,0]=4 127 B14R2.8235 O=C1C=C(Br)C2=C(C=CC(F)=C2)N1 SY310251 [0,0,0,0,0,1|2,0,0]=3 128 B14R2.8235 O=C1C=C(O)C2=C(C=CC(Br)=C2)N1 SY108412 [0,0,0,0,0,1|1,1,0]=3 129 B14R2.8235 O=C1C=C(O)C2=C(C=CC(I)=C2)N1 SY020277 [0,0,0,0,0,1|1,1,0]=3 130 B14R2.8235 O=C1C=C(O)C2=C(C=CC(O)=C2)O1 SY028438 [0,0,0,0,0,1|3,0,0]=4 131 B14R2.8235 O=C1NC(=O)C2=C(C=CC(Br)=C2)N1 SY013581 [0,0,0,0,0,1|1,1,1]=4 132 B14R2.8235 O=C1NC(=O)C2=C(C=CC(Cl)=C2)N1 SY042887 [0,0,0,0,0,1|1,1,1]=4 133 B14R2.8235 O=C1NC(=O)C2=C(C=CC(F)=C2)N1 SY032638 [0,0,0,0,0,1|1,0,1]=3 134 B14R2.8235 O=C1NC2=C(C=C(Br)C=C2)C(=O)O1 SY013829 [0,0,0,0,0,1|1,1,1]=4 135 B14R2.8235 O=C1NC2=C(C=C(Cl)C=C2)C(=O)O1 SY025838 [0,0,0,0,0,1|1,1,1]=4 136 B14R2.8235 O=C1NC2=C(C=C(F)C=C2)C(=O)O1 SY078685 [0,0,0,0,0,1|1,0,1]=3 137 B14R2.8235 OC1=CC(O)=C2C=C(F)C=CC2=C1 SY295183 [0,0,0,0,0,1|2,0,1]=4 138 B14R2.8239 NN1CC2=C(C=CC(Cl)=C2)NC1=O SY275818 [0,0,0,0,0,1|1,1,0]=3 139 B14R2.8239 NN1CC2=C(C=CC(F)=C2)NC1=O SY275976 [0,0,0,0,0,1|1,0,0]=2 140 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 SY017054 [1,0,1,0,0,0|2,0,0]=4 141 B11R1.20 CC(=O)NC1=CC=C(Br)C=C1 SY049651 [1,0,1,0,0,0|1,1,0]=4 142 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 SY035719 [1,0,1,0,0,0|2,0,0]=4 143 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 SY001162 [1,0,1,0,0,0|2,0,0]=4 144 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 SY016072 [1,0,1,0,0,0|2,0,0]=4 145 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 SY013543 [1,0,1,0,0,0|2,0,0]=4 146 B11R1.20 NC(=O)CC1=CC=C(Br)C=C1 SY132432 [1,0,1,0,0,0|1,1,0]=4 147 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 SY001683 [1,0,1,0,0,0|2,0,0]=4 148 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 SY001637 [1,0,1,0,0,0|2,0,0]=4 149 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 SY001685 [1,0,1,0,0,0|1,1,0]=4 150 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 SY001347 [1,0,1,0,0,0|1,0,0]=3 151 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 SY016997 [1,0,1,0,0,0|1,1,0]=4 152 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 SY004128 [1,0,1,0,0,0|2,0,0]=4 153 B11R1.20 O=C(O)CC1=NC=C(F)C=C1 SY039154 [1,0,1,0,0,0|2,0,0]=4 154 B11R1.40 C=CC(=O)NC1=CC=CC=C1 SY052499 [1,0,1,0,0,0|2,0,0]=4 155 B11R1.40 NNC(=O)CC1=CC=CC=C1 SY032275 [1,0,1,0,0,0|2,0,0]=4 156 B11R1.40 NNC(=O)OC1=CC=CC=C1 SY262826 [1,0,1,0,0,0|2,0,0]=4 157 B11R1.37 COC1=CC(F)=CC=C1C=O SY022944 [1,0,1,0,0,0|2,0,0]=4 158 B11R1.37 N#CC1=CC(F)=CC=C1C=O SY015356 [1,0,1,0,0,0|2,0,0]=4 159 B11R1.36 CC(=O)C(O)C1=CC=CC=C1 SY028287 [1,0,1,0,0,0|2,0,0]=4 160 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 SY053096 [1,0,1,0,0,0|2,0,0]=4 161 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 SY009237 [1,0,1,0,0,0|2,0,0]=4 162 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 SY001670 [1,0,1,0,0,0|2,0,0]=4 163 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 SY289327 [1,0,1,0,0,0|2,0,0]=4 164 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 SY001645 [1,0,1,0,0,0|2,0,0]=4 165 B11R1.157 CC(=O)NC1=CC=CC(F)=C1 SY040632 [1,0,1,0,0,0|1,0,0]=3 166 B11R1.157 CC(=O)NC1=CC=CC(N)=C1 SY006038 [1,0,1,0,0,0|2,0,0]=4 167 B11R1.157 CC(=O)OC1=CC=CC(F)=C1 SY042571 [1,0,1,0,0,0|2,0,0]=4 168 B11R1.157 NC(=O)CC1=CC=CC(Br)=C1 SY274676 [1,0,1,0,0,0|1,1,0]=4 169 B11R1.157 NC(=S)NC1=CC=CC(Br)=C1 SY017108 [1,0,1,0,0,0|0,2,0]=4 170 B11R1.157 O=C(Cl)OC1=CC=CC(F)=C1 SY293018 [1,0,1,0,0,0|2,0,0]=4 171 B11R1.157 O=C(O)CC1=CC=CC(F)=C1 SY001712 [1,0,1,0,0,0|2,0,0]=4 172 B11R1.167 CC(=O)C1=CC(F)=CC=C1N SY113404 [1,0,1,0,0,0|2,0,0]=4 173 B11R1.167 CC1=C(C(=O)O)C=C(F)C=C1 SY004815 [1,0,1,0,0,0|2,0,0]=4 174 B11R1.167 CC1=CC=C(N)C(C(=O)O)=C1 SY002917 [1,0,1,0,0,0|2,0,0]=4 175 B11R1.167 CS(=O)C1=CC(F)=CC=C1N SY280325 [1,0,1,0,0,0|2,0,0]=4 176 B11R1.167 NC(=O)C1=CC(F)=CC=C1N SY047056 [1,0,1,0,0,0|2,0,0]=4 177 B11R1.167 NC1=C(C(=O)O)C=C(F)C=C1 SY004954 [1,0,1,0,0,0|1,0,0]=3 178 B11R1.167 NC1=C(C(=O)O)C=C(F)C=N1 SY041502 [1,0,1,0,0,0|2,0,0]=4 179 B11R1.167 NC1=C(C(=O)O)C=C(F)N=C1 SY046590 [1,0,1,0,0,0|2,0,0]=4 180 B11R1.167 NC1=C(C(=O)O)C=C(I)C=C1 SY007113 [1,0,1,0,0,0|1,1,0]=4 181 B11R1.167 NC1=C(C(=O)O)C=C(O)C=C1 SY003280 [1,0,1,0,0,0|2,0,0]=4 182 B11R1.167 NC1=C([N+](=O)[O-])C=C(F)C=C1 SY007215 [1,0,1,0,0,0|0,0,2]=4 183 B11R1.167 NC1=CC=C(Cl)C=C1C(=O)O SY001607 [1,0,1,0,0,0|1,1,0]=4 184 B11R1.167 O=C(O)C1=C(F)C=CC(F)=C1 SY009582 [1,0,1,0,0,0|2,0,0]=4 185 B11R1.167 O=C(O)C1=C(O)C=CC(F)=C1 SY007435 [1,0,1,0,0,0|2,0,0]=4 186 B11R1.167 O=C(O)C1=CC(F)=CC=C1Br SY001902 [1,0,1,0,0,0|2,0,0]=4 187 B11R1.167 O=C(O)C1=CC(F)=CC=C1Cl SY019215 [1,0,1,0,0,0|2,0,0]=4 188 B11R1.167 O=C(O)C1=CC(F)=CC=C1I SY030950 [1,0,1,0,0,0|2,0,0]=4 189 B11R2.1 C1=CC2=C(C=C1)C=CN2C SY246326 [2,0,0,0,0,0|2,0,0]=4 190 B11R2.1 C1=CC2=C(C=C1)N(C)C=C2 SY246277 [2,0,0,0,0,0|2,0,0]=4 191 B11R2.1 C1=CC2=C(C=CC=C2)N1C SY246324 [2,0,0,0,0,0|2,0,0]=4 192 B11R2.1 C1=CC=CC2=C1C=CN2C SY246325 [2,0,0,0,0,0|2,0,0]=4 193 B11R2.1 C1=CC=CC2=C1N(C)C=C2 SY246327 [2,0,0,0,0,0|2,0,0]=4 194 B11R2.1 CN1C=NC2=CC=CC=C21 SY042696 [2,0,0,0,0,0|1,0,1]=4 195 B11R2.1 CN1CNC2=CC=CC=C21 SY289611 [2,0,0,0,0,0|1,0,1]=4 196 B11R2.1 NC1=CNC2=C1C=CC=C2 SY236577 [2,0,0,0,0,0|2,0,0]=4 197 B11R2.1 NN1C=CC2=C1C=CC=C2 SY024456 [2,0,0,0,0,0|2,0,0]=4 198 B11R2.1 ON1N=CC2=C1C=CC=C2 SY274261 [2,0,0,0,0,0|2,0,0]=4 199 B11R2.10 BrC1=NC2=CC=CC=C2N1 SY050717 [2,0,0,0,0,0|1,0,1]=4 200 B11R2.10 CC1=NC2=CC=CC=C2N1 SY015991 [2,0,0,0,0,0|1,0,1]=4 201 B11R2.10 ClC1=CC2=C(C=CC=C2)N1 SY115626 [2,0,0,0,0,0|2,0,0]=4 202 B11R2.10 ClC1=NC2=C(C=CC=C2)N1 SY004072 [2,0,0,0,0,0|1,0,1]=4 203 B11R2.10 NC1=NC2=CC=CC=C2N1 SY032901 [2,0,0,0,0,0|1,0,1]=4 204 B11R2.10 O=C1CC2=C(C=CC=C2)C1 SY001481 [2,0,0,0,0,0|2,0,0]=4 205 B11R2.10 O=C1CC2=C(C=CC=C2)O1 SY038967 [2,0,0,0,0,0|2,0,0]=4 206 B11R2.10 O=C1CC2=CC=CC=C2N1 SY004718 [2,0,0,0,0,0|1,0,0]=3 207 B11R2.10 O=C1CC2=CC=CN=C2N1 SY008090 [2,0,0,0,0,0|2,0,0]=4 208 B11R2.10 O=C1NC2=C(C=CC=C2)O1 SY007021 [2,0,0,0,0,0|1,0,0]=3 209 B11R2.10 O=C1NC2=C(C=CN=C2)O1 SY130167 [2,0,0,0,0,0|2,0,0]=4 210 B11R2.10 O=C1NC2=C(N=CC=C2)N1 SY007153 [2,0,0,0,0,0|1,0,0]=3 211 B11R2.10 O=C1NC2=CC=CN=C2O1 SY116296 [2,0,0,0,0,0|2,0,0]=4 212 B11R2.10 O=C1NC2=NC=CC=C2O1 SY007988 [2,0,0,0,0,0|2,0,0]=4 213 B11R2.10 OC1=NC2=CC=CC=C2N1 SY033248 [2,0,0,0,0,0|0,0,2]=4 214 B11R2.36 BrC1=CC2=C(C=C1)NC=C2 SY005268 [2,0,0,0,0,0|1,1,0]=4 215 B11R2.36 BrC1=CC2=C(C=CN2)C=C1 SY004386 [2,0,0,0,0,0|1,1,0]=4 216 B11R2.36 BrC1=CC=C2NC=NC2=C1 SY010273 [2,0,0,0,0,0|0,1,1]=4 217 B11R2.36 CC1=CC=C2C=CNC2=C1 SY005773 [2,0,0,0,0,0|2,0,0]=4 218 B11R2.36 CC1=CC=C2NC=CC2=C1 SY013930 [2,0,0,0,0,0|2,0,0]=4 219 B11R2.36 CC1=CC=C2NC=NC2=C1 SY037745 [2,0,0,0,0,0|1,0,1]=4 220 B11R2.36 ClC1=CC2=C(C=C1)NC=C2 SY001555 [2,0,0,0,0,0|1,1,0]=4 221 B11R2.36 ClC1=CC2=C(C=CN2)C=C1 SY002338 [2,0,0,0,0,0|1,1,0]=4 222 B11R2.36 ClC1=CC=C2NC=NC2=C1 SY050745 [2,0,0,0,0,0|0,1,1]=4 223 B11R2.36 FC1=CC2=C(C=C1)C=NN2 SY008889 [2,0,0,0,0,0|2,0,0]=4 224 B11R2.36 FC1=CC2=C(C=C1)CCN2 SY107270 [2,0,0,0,0,0|1,0,1]=4 225 B11R2.36 FC1=CC2=C(C=C1)NC=C2 SY003931 [2,0,0,0,0,0|1,0,0]=3 226 B11R2.36 FC1=CC2=C(C=CN2)C=C1 SY004098 [2,0,0,0,0,0|1,0,0]=3 227 B11R2.36 FC1=CC=C2N=COC2=C1 SY129982 [2,0,0,0,0,0|1,0,1]=4 228 B11R2.36 FC1=CC=C2NC=NC2=C1 SY113296 [2,0,0,0,0,0|0,0,1]=3 229 B11R2.36 FC1=CC=C2NN=CC2=C1 SY003897 [2,0,0,0,0,0|2,0,0]=4 230 B11R2.36 FC1=CC=C2OC=CC2=C1 SY045672 [2,0,0,0,0,0|2,0,0]=4 231 B11R2.36 FC1=CC=C2OC=NC2=C1 SY018733 [2,0,0,0,0,0|1,0,1]=4 232 B11R2.36 FC1=CN=C2C=CNC2=C1 SY034660 [2,0,0,0,0,0|2,0,0]=4 233 B11R2.36 FC1=CN=C2NC=CC2=C1 SY009141 [2,0,0,0,0,0|2,0,0]=4 234 B11R2.36 FC1=NC2=C(C=CN2)C=C1 SY023861 [2,0,0,0,0,0|2,0,0]=4 235 B11R2.36 IC1=CC2=C(C=C1)NC=C2 SY030018 [2,0,0,0,0,0|1,1,0]=4 236 B11R2.36 IC1=CC2=C(C=CN2)C=C1 SY099222 [2,0,0,0,0,0|1,1,0]=4 237 B11R2.36 IC1=CC=C2N=CNC2=C1 SY033818 [2,0,0,0,0,0|0,1,1]=4 238 B11R2.36 NC1=CC2=C(C=C1)NC=C2 SY014519 [2,0,0,0,0,0|2,0,0]=4 239 B11R2.36 NC1=CC=C2C=CNC2=C1 SY005013 [2,0,0,0,0,0|2,0,0]=4 240 B11R2.36 NC1=CC=C2NC=NC2=C1 SY002960 [2,0,0,0,0,0|1,0,1]=4 241 B11R2.36 OC1=CC=C2C=CNC2=C1 SY003879 [2,0,0,0,0,0|2,0,0]=4 242 B11R2.36 OC1=CC=C2NC=CC2=C1 SY008069 [2,0,0,0,0,0|2,0,0]=4 243 B11R2.36 OC1=CC=C2NC=NC2=C1 SY037386 [2,0,0,0,0,0|1,0,1]=4 244 B13R1.19 N#CCC(=O)NC1=CC=C(F)C=C1 SY012272 [0,1,1,0,0,0|2,0,0]=4 245 B13R1.133 O=C(O)C(=O)CC1=CC=C(F)C=C1 SY235376 [0,1,1,0,0,0|2,0,0]=4 246 B13R1.716 COC(C(=O)O)C1=CC=CC(F)=C1 SY272666 [0,1,1,0,0,0|2,0,0]=4 247 B13R2.135 O=CC1C(=O)NC2=C1C=CC=C2 SY105270 [1,1,0,0,0,0|1,0,1]=4 248 B13R2.359 CC1(C)C(=O)NC2=C1C=CC=C2 SY107503 [1,1,0,0,0,0|2,0,0]=4 249 B13R2.3085 CN1C(=O)C(=O)C2=C1C=CC=C2 SY048456 [1,1,0,0,0,0|1,0,1]=4 250 B13R2.3085 CN1C(=O)C(=O)C2=C1C=CC=C2 SY293688 [1,1,0,0,0,0|1,0,1]=4 251 B13R2.3085 CN1C(=O)C(N)C2=C1C=CC=C2 SY059152 [1,1,0,0,0,0|2,0,0]=4 252 B13R2.3085 CN1C(=O)N(C)C2=CC=CC=C21 SY045942 [1,1,0,0,0,0|1,0,0]=3 253 B13R2.4825 CC1=CC=CC2=C1NC(=O)C2=O SY081570 [1,1,0,0,0,0|1,0,1]=4 254 B13R2.4825 CN1C(=O)CC2=C1C=CC=C2N SY263286 [1,1,0,0,0,0|2,0,0]=4 255 B13R2.4825 NC1=CC=CC2=C1NC(=O)C2=O SY058415 [1,1,0,0,0,0|1,0,1]=4 256 B13R2.4825 O=C1NC2=C(C=CC=C2Br)C1=O SY002925 [1,1,0,0,0,0|1,0,1]=4 257 B13R2.4825 O=C1NC2=C(C=CC=C2Cl)C1=O SY008499 [1,1,0,0,0,0|1,0,1]=4 258 B13R2.4825 O=C1NC2=C(C=CC=C2F)C1=O SY009282 [1,1,0,0,0,0|1,0,1]=4 259 B13R2.4825 O=C1NC2=C(C=CC=C2I)C1=O SY033891 [1,1,0,0,0,0|1,0,1]=4 260 B13R2.4825 O=C1NC2=C(C=CC=C2O)C1=O SY058417 [1,1,0,0,0,0|1,0,1]=4 261 B13R2.4856 CC1=CC=CC2=C1C(=O)C(=O)N2 SY015146 [1,1,0,0,0,0|1,0,1]=4 262 B13R2.4856 O=C1NC2=C(C1=O)C(Cl)=CC=C2 SY005279 [1,1,0,0,0,0|1,0,1]=4 263 B13R2.4856 O=C1NC2=C(C1=O)C(I)=CC=C2 SY033894 [1,1,0,0,0,0|1,0,1]=4 264 B13R2.4856 O=C1NC2=CC=CC(Br)=C2C1=O SY004146 [1,1,0,0,0,0|1,0,1]=4 265 B13R2.5190 CC1=CC=C2C(=O)C(=O)NC2=C1 SY016308 [1,1,0,0,0,0|1,0,1]=4 266 B13R2.5190 CN1C(=O)CC2=C1C=CC(N)=C2 SY006674 [1,1,0,0,0,0|2,0,0]=4 267 B13R2.5190 CN1C(=O)NC2=CC(Cl)=CN=C21 SY036673 [1,1,0,0,0,0|2,0,0]=4 268 B13R2.5190 CN1C(=O)NC2=CC(N)=CC=C21 SY292248 [1,1,0,0,0,0|1,0,0]=3 269 B13R2.5190 CN1C(=O)NC2=NC(Cl)=CC=C21 SY036666 [1,1,0,0,0,0|2,0,0]=4 270 B13R2.5190 O=C1NC2=C(C=CC(Cl)=C2)C1=O SY015997 [1,1,0,0,0,0|1,0,1]=4 271 B13R2.5190 O=C1NC2=C(C=CC(F)=C2)C1=O SY009562 [1,1,0,0,0,0|1,0,1]=4 272 B13R2.5190 O=C1NC2=CC(Br)=CC=C2C1=O SY004824 [1,1,0,0,0,0|1,0,1]=4 273 B13R2.5190 O=C1NC2=CC(I)=CC=C2C1=O SY059763 [1,1,0,0,0,0|1,0,1]=4 274 B13R2.43 O=CC1=CC2=C(C=C(Br)C=C2)N1 SY066232 [1,1,0,0,0,0|1,1,0]=4 275 B13R2.2121 C#CC1=CC=C2NC(=O)OC2=C1 SY246237 [1,1,0,0,0,0|2,0,0]=4 276 B13R2.2121 COC1=CC2=C(C=C1)CC(=O)N2 SY002721 [1,1,0,0,0,0|2,0,0]=4 277 B13R2.2121 COC1=CC=C2OC(=O)NC2=C1 SY130162 [1,1,0,0,0,0|2,0,0]=4 278 B13R2.2121 N#CC1=CC2=C(C=C1)CC(=O)N2 SY004440 [1,1,0,0,0,0|2,0,0]=4 279 B13R2.2121 N#CC1=CC2=C(C=C1)NC(=O)C2 SY014853 [1,1,0,0,0,0|2,0,0]=4 280 B13R2.2121 O=CC1=CC=C2NC(=O)NC2=C1 SY158259 [1,1,0,0,0,0|1,0,0]=3 281 B13R2.3050 CC1=C2NC(=O)NC2=NC=C1Br SY039631 [1,1,0,0,0,0|1,1,0]=4 282 B13R2.3050 FC1=CC=C2NC(=S)OC2=C1F SY130033 [1,1,0,0,0,0|1,1,0]=4 283 B13R2.3050 O=C1NC2=CC=C(F)C(F)=C2O1 SY130166 [1,1,0,0,0,0|1,0,0]=3 284 B13R2.5397 O=C1CC2=C(N1)C(Br)=CC(F)=C2 SY099229 [1,1,0,0,0,0|1,0,0]=3 285 B13R2.5397 O=C1CC2=C(N1)C(Br)=CC(O)=C2 SY292470 [1,1,0,0,0,0|2,0,0]=4 286 B13R2.5397 O=C1CC2=C(N1)C(Cl)=CC(Br)=C2 SY266062 [1,1,0,0,0,0|1,1,0]=4 287 B13R2.5397 O=C1NC2=C(N1)C(Cl)=NC(Cl)=C2 SY036675 [1,1,0,0,0,0|1,1,0]=4 288 B13R2.13083 NC1=NC2=CC(Cl)=C(F)C=C2N1 SY211471 [1,1,0,0,0,0|1,0,1]=4 289 B13R2.13083 O=C1CC2=C(C=C(Br)C(F)=C2)N1 SY111941 [1,1,0,0,0,0|1,0,0]=3 290 B13R2.13083 O=C1CC2=C(C=C(F)C(F)=C2)N1 SY008528 [1,1,0,0,0,0|1,0,0]=3 291 B13R2.13083 O=C1NC2=CC(Br)=C(F)C=C2S1 SY276968 [1,1,0,0,0,0|1,0,0]=3 292 B15R2.59733 O=C1NC(=O)C2=C(C=C(Br)C(F)=C2)N1 SY060534 [0,1,0,0,0,1|1,0,1]=4 293 B15R2.63814 CN1C(=O)OC(=O)C2=CC(F)=CC=C21 SY263484 [0,1,0,0,0,1|1,0,1]=4 294 B15R2.13982 CC1(C)OC2=CC(F)=CC=C2NC1=O SY130777 [0,1,0,0,0,1|2,0,0]=4 295 B15R2.15618 CC1=CC(F)=C(Br)C2=C1NC(=O)C2=O SY038702 [0,2,0,0,0,0|1,0,1]=4 296 B13R2.3683 CC1=CC=C2NC(=O)COC2=C1 SY130720 [0,0,1,1,0,0|2,0,0]=4 297 B13R2.3683 NC1=CC=C2NC(=O)COC2=C1 SY060762 [0,0,1,1,0,0|2,0,0]=4 298 B13R2.3683 O=C1COC2=CC(Br)=CC=C2N1 SY104617 [0,0,1,1,0,0|1,1,0]=4 299 B13R2.3683 O=C1COC2=CC(Cl)=CC=C2N1 SY110914 [0,0,1,1,0,0|1,1,0]=4 300 B13R2.3683 O=C1COC2=CC(F)=CC=C2N1 SY110545 [0,0,1,1,0,0|1,0,0]=3 301 B13R2.3683 O=C1COC2=CC(O)=CC=C2N1 SY286048 [0,0,1,1,0,0|2,0,0]=4 302 B13R2.3683 O=C1NC2=CC=C(F)C=C2CO1 SY129151 [0,0,1,1,0,0|2,0,0]=4 303 B13R2.662 O=CC1=CNC2=C1C=CC(F)=C2 SY004468 [0,0,1,1,0,0|2,0,0]=4 304 B11R1.22 CC1=CC=C(C(=O)CO)C=C1 SY026844 [0,0,1,0,1,0|2,0,0]=4 305 B11R1.22 CC1=CC=C(C(=O)NN)C=C1 SY048426 [0,0,1,0,1,0|2,0,0]=4 306 B11R1.22 CNC(=O)C1=CC=C(Br)C=C1 SY020021 [0,0,1,0,1,0|1,1,0]=4 307 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 SY005511 [0,0,1,0,1,0|2,0,0]=4 308 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 SY001789 [0,0,1,0,1,0|1,1,0]=4 309 B11R1.22 NNC(=O)C1=CC=C(Cl)C=C1 SY035573 [0,0,1,0,1,0|1,1,0]=4 310 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 SY007335 [0,0,1,0,1,0|1,0,0]=3 311 B11R1.22 NNC(=O)C1=CC=C(N)C=C1 SY036768 [0,0,1,0,1,0|2,0,0]=4 312 B11R1.22 NNC(=O)C1=CC=C(O)C=C1 SY009530 [0,0,1,0,1,0|2,0,0]=4 313 B11R1.22 O=C(CO)C1=CC=C(Br)C=C1 SY130953 [0,0,1,0,1,0|1,1,0]=4 314 B11R1.22 O=C(CO)C1=CC=C(Cl)C=C1 SY130959 [0,0,1,0,1,0|1,1,0]=4 315 B11R1.22 O=C(CO)C1=CC=C(I)C=C1 SY130961 [0,0,1,0,1,0|1,1,0]=4 316 B13R1.148 O=C(O)C(O)CC1=CC=CC(F)=C1 SY036074 [0,0,1,0,0,1|2,0,0]=4 317 B13R1.148 O=C(O)[C@@H](O)CC1=CC=CC(F)=C1 SY036066 [0,0,1,0,0,1|2,0,0]=4 318 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)O1 SY001614 [1,0,0,0,0,1|2,0,0]=4 319 B13R2.328 O=C1NC(=O)C2=C(C=CC=C2)N1 SY003536 [1,0,0,0,0,1|1,0,1]=4 320 B13R2.369 NC1=CC2=C(C=CC=C2)NC1=O SY254129 [1,0,0,0,0,1|2,0,0]=4