0 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 84827 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 20111 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 20113 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11320 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11540 [0,0,0,0,0,0|2,0,1]=3 5 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11782 [0,0,0,0,0,0|2,0,1]=3 6 B12R1.107 CN(C)C[C@H](N)C1=CC=CC=C1 C11392 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 O12077 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.16 CCCC(=O)C1=CN=CC=C1 N12405 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.16 CCCC(=O)C1=NC=CC=C1 55420 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y10270 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y11637 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y11944 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.16 CCOC(=O)C1=NN=CC=N1 67096 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.16 CONC(=O)C1=CC=CC=C1 W17974 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.16 O=C(CCO)C1=CC=CC=C1 A11168 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Y11691 [1,0,0,0,0,0|2,0,1]=4 17 B13R1.11 CNC(=O)CC(=O)C1=CC=CC=C1 32568 [0,1,0,0,0,0|2,0,1]=4 18 B13R1.132 CC(=O)CC(=O)C1=CC=C(Br)C=C1 F11171 [0,1,0,0,0,0|2,0,1]=4 19 B13R1.132 CC(C)C[C@H](N)C1=CC=C(Br)C=C1 Y11434 [0,1,0,0,0,0|2,0,1]=4 20 B13R1.132 CC(C)C[C@H](N)C1=CC=C(Br)C=C1 Y11435 [0,1,0,0,0,0|2,0,1]=4 21 B13R1.201 CC(=O)NC(=O)C1=C(O)C=CC=C1 28028 [0,1,0,0,0,0|2,0,1]=4 22 B13R1.201 CC(C)CC(=O)C1=C(Cl)C=CC=C1 F10466 [0,1,0,0,0,0|1,0,0]=2 23 B13R1.201 CC(C)C[C@H](C)C1=C(N)C=CC=C1 C13510 [0,1,0,0,0,0|2,0,1]=4 24 B13R1.201 CC(C)C[C@H](N)C1=C(N)C=CC=C1 F52561 [0,1,0,0,0,0|2,0,1]=4 25 B13R1.352 CS(=O)(=O)CC(=O)C1=CC=CC=C1 T72377 [0,1,0,0,0,0|3,0,0]=4 26 B13R2.10 CC1=NC=C(C2=CC=CC=C2)O1 63684 [0,0,0,1,0,0|2,0,1]=4 27 B13R2.10 C[C@H]1CCC(C2=CC=CC=C2)N1 P15237 [0,0,0,1,0,0|2,0,1]=4 28 B13R2.328 CC1=CC2=C(C=CC=C2)C(=O)N1 F13592 [0,0,0,1,0,0|1,0,2]=4 29 B13R2.328 C[C@H]1CC(=O)C2=C(C=CC=C2)N1 72373 [0,0,0,1,0,0|2,0,0]=3 30 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)N1 Y10382 [0,0,0,1,0,0|2,0,1]=4 31 B13R2.690 O=C(CC1CC1)C2=CC=CC=C2 72374 [0,0,0,1,0,0|1,0,0]=2 32 B13R2.690 O=C(NC1CC1)C2=CC=NC=C2 W13162 [0,0,0,1,0,0|2,0,0]=3 33 B13R2.12159 CC1(C)NC(=O)C2=C1C=CC=C2 37674 [0,0,0,1,0,0|1,0,0]=2 34 B13R2.12159 CC1=CC(C)(C)C2=C1C=CC=C2 D93282 [0,0,0,1,0,0|2,0,0]=3 35 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 74050 [0,0,0,0,1,0|1,0,1]=3 36 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 F16904 [0,0,0,0,1,0|1,0,1]=3 37 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 Y11074 [0,0,0,0,1,0|1,0,1]=3 38 B11R1.36 CC(C)[C@H](N)C1=CC=CN=C1 D80774 [0,0,0,0,1,0|2,0,1]=4 39 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 N10542 [0,0,0,0,1,0|2,0,1]=4 40 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 N11120 [0,0,0,0,1,0|2,0,1]=4 41 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 Y11073 [0,0,0,0,1,0|2,0,1]=4 42 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 Y13397 [0,0,0,0,1,0|2,0,1]=4 43 B11R1.36 C[C@@H](C1=CC=CC=C1)N(C)C A12149 [0,0,0,0,1,0|2,0,1]=4 44 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 N16817 [0,0,0,0,1,0|2,0,1]=4 45 B11R1.36 C[C@H](F)C(=O)C1=CC=CC=C1 C10603 [0,0,0,0,1,0|1,0,0]=2 46 B11R1.36 O=C(C1=NC=CC=C1)C(F)F F17975 [0,0,0,0,1,0|3,0,0]=4 47 B11R1.77 CC(C)NC(=O)N1C=CN=C1 32081 [0,0,0,0,1,0|3,0,0]=4 48 B13R1.45 CC(C)CCC(=O)C1=CC=CC=C1 Y11605 [0,0,0,0,0,1|1,0,0]=2 49 B13R1.45 CC(C)NNC(=O)C1=CC=NC=C1 S10635 [0,0,0,0,0,1|2,0,0]=3 50 B13R1.45 C[C@H](O)COC(=O)C1=CC=CC=C1 D93462 [0,0,0,0,0,1|1,0,0]=2 51 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 27901 [0,0,0,0,0,1|2,0,1]=4 52 B13R1.348 CC(C)=CC(=O)NC1=CC=CC=C1 C91653 [0,0,0,0,0,1|1,0,1]=3 53 B13R1.348 C[C@H](Cl)OC(=O)OC1=CC=CC=C1 A12584 [0,0,0,0,0,1|1,0,0]=2 54 B10R1.15 C=C(CBr)C1=CC=CC=C1 35089 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.15 C=C(CC)C1=CC=CC=C1 C73845 [2,0,0,0,0,0|1,0,0]=3 56 B10R1.15 C=CC(=O)C1=CC=CC=C1 77875 [2,0,0,0,0,0|0,0,2]=4 57 B10R1.15 CCC(=O)C1=NC=CN=C1 P11366 [2,0,0,0,0,0|2,0,0]=4 58 B10R1.15 CCN(C)C1=CC=CC=C1 S10715 [2,0,0,0,0,0|2,0,0]=4 59 B10R1.15 CC[C@H](Br)C1=CC=CC=C1 A11640 [2,0,0,0,0,0|1,0,1]=4 60 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T71858 [2,0,0,0,0,0|0,0,2]=4 61 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T72707 [2,0,0,0,0,0|0,0,2]=4 62 B10R1.15 COC(=O)C1=CN=NC=C1 23653 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.15 O=C(CBr)C1=CN=CC=C1 D82267 [2,0,0,0,0,0|2,0,0]=4 64 B10R1.15 O=C(CO)C1=NC=CC=C1 AC7454 [2,0,0,0,0,0|2,0,0]=4 65 B10R1.17 CCCOC1=CC=CC=C1 C75927 [2,0,0,0,0,0|2,0,0]=4 66 B10R1.17 CCNCC1=CC=CC=C1 D77748 [2,0,0,0,0,0|1,0,1]=4 67 B12R1.16 CC1=CC=C(C(=O)CCCl)C=C1 D77805 [1,1,0,0,0,0|2,0,0]=4 68 B12R1.16 CCCC(=O)C1=CC=C(C)C=C1 N13972 [1,1,0,0,0,0|1,0,0]=3 69 B12R1.16 CCCC(=O)C1=CN=C(Cl)C=C1 N14275 [1,1,0,0,0,0|2,0,0]=4 70 B12R1.16 CCOC(=O)C1=CC=C(I)C=C1 D77688 [1,1,0,0,0,0|0,0,0]=2 71 B12R1.16 CCOC(=O)C1=CC=[N+]([O-])C=C1 AB21610 [1,1,0,0,0,0|1,0,0]=3 72 B12R1.16 CCOC(=O)C1=CN=C(Cl)C=N1 RB3338 [1,1,0,0,0,0|2,0,0]=4 73 B12R1.16 CCOC(=O)C1=CN=C(F)C=C1 88966 [1,1,0,0,0,0|1,0,0]=3 74 B12R1.16 CCOC(=O)C1=NC=C(Cl)C=C1 C72155 [1,1,0,0,0,0|1,0,0]=3 75 B12R1.16 CCOC(=O)C1=NC=C(F)C=N1 P17719 [1,1,0,0,0,0|2,0,0]=4 76 B12R1.16 CCOC(=O)C1=NC=C(N)C=C1 D86980 [1,1,0,0,0,0|1,0,0]=3 77 B12R1.16 CCOC(=O)C1=NN=C(Cl)C=C1 26720 [1,1,0,0,0,0|2,0,0]=4 78 B12R1.16 CCOC(=O)C1=NN=C(S)C=C1 D80571 [1,1,0,0,0,0|2,0,0]=4 79 B12R1.17 CCCC(=O)C1=CC=CC(Br)=C1 N13963 [1,1,0,0,0,0|1,0,0]=3 80 B12R1.17 CCOC(=O)C1=CC(=O)C=CO1 C72931 [1,1,0,0,0,0|1,0,0]=3 81 B12R1.17 CCOC(=O)C1=CC(=O)NC=C1 72628 [1,1,0,0,0,0|1,0,0]=3 82 B12R1.17 CCOC(=O)C1=CC(C)=CC=C1 S12346 [1,1,0,0,0,0|0,0,0]=2 83 B12R1.17 CCOC(=O)C1=CC(C)=NC=C1 90616 [1,1,0,0,0,0|1,0,0]=3 84 B12R1.17 CCOC(=O)C1=CC(F)=NC=C1 91499 [1,1,0,0,0,0|1,0,0]=3 85 B12R1.17 CCOC(=O)C1=CC=NC(Br)=N1 C71724 [1,1,0,0,0,0|2,0,0]=4 86 B12R1.17 CCOC(=O)C1=CN=CC(Cl)=N1 90138 [1,1,0,0,0,0|2,0,0]=4 87 B12R1.17 CCOC(=O)C1=NC(C)=CC=C1 D84508 [1,1,0,0,0,0|1,0,0]=3 88 B12R1.17 CCOC(=O)C1=NC(N)=NC=C1 F11923 [1,1,0,0,0,0|2,0,0]=4 89 B12R1.17 CCOC(=O)C1=NC=CC(F)=C1 AB10269 [1,1,0,0,0,0|1,0,0]=3 90 B12R1.30 C#CCOC(=O)C1=CC=CC=C1 D76871 [1,1,0,0,0,0|0,0,1]=3 91 B12R1.30 N#CCCC(=O)C1=CC=CC=C1 T71019 [1,1,0,0,0,0|1,0,1]=4 92 B12R1.30 NCCNC(=O)C1=CC=CC=C1 F20112 [1,1,0,0,0,0|1,0,0]=3 93 B12R1.30 O=C(CCCO)C1=CN=CC=C1 W11994 [1,1,0,0,0,0|2,0,0]=4 94 B12R1.30 O=C(NCCBr)C1=NC=CC=C1 W10393 [1,1,0,0,0,0|2,0,0]=4 95 B12R1.308 CCOC(=O)C1=C(Br)C=NC=N1 67175 [1,1,0,0,0,0|2,0,0]=4 96 B12R1.308 CCOC(=O)C1=C(C)C=CN=C1 72062 [1,1,0,0,0,0|1,0,0]=3 97 B12R1.308 CCOC(=O)C1=C(C)C=NN=C1 P12076 [1,1,0,0,0,0|2,0,0]=4 98 B12R1.308 CCOC(=O)C1=C(C)N=CN=C1 29844 [1,1,0,0,0,0|2,0,0]=4 99 B12R1.308 CCOC(=O)C1=C(C)N=NC=C1 P11140 [1,1,0,0,0,0|2,0,0]=4 100 B12R1.308 CCOC(=O)C1=C(Cl)C=CC=N1 W18461 [1,1,0,0,0,0|1,0,0]=3 101 B12R1.308 CCOC(=O)C1=C(N)C=CN=C1 A12134 [1,1,0,0,0,0|1,0,0]=3 102 B12R1.308 CCOC(=O)C1=C(N)N=NC=C1 31637 [1,1,0,0,0,0|2,0,0]=4 103 B12R1.308 CCOC(=O)C1=C(O)C=NC=C1 BL009831 [1,1,0,0,0,0|1,0,0]=3 104 B12R1.308 CCOC(=O)C1=CC=CN=C1Br 24958 [1,1,0,0,0,0|1,0,0]=3 105 B12R1.308 CCOC(=O)C1=CN=CN=C1Cl 84692 [1,1,0,0,0,0|2,0,0]=4 106 B12R1.308 CCOC(=O)C1=NC=CC=C1C 30595 [1,1,0,0,0,0|1,0,0]=3 107 B12R1.308 CCOC(=O)C1=NC=CN=C1Cl I10105 [1,1,0,0,0,0|2,0,0]=4 108 B12R1.308 CCOC(=O)C1=NC=CN=C1N 89343 [1,1,0,0,0,0|2,0,0]=4 109 B12R1.308 CONC(=O)C1=C(N)C=CC=C1 W13132 [1,1,0,0,0,0|2,0,0]=4 110 B12R1.308 O=C(CCCl)C1=C(F)C=CC=C1 AC7173 [1,1,0,0,0,0|2,0,0]=4 111 B12R1.21 CC(C)OCC1=CC=C(Br)C=C1 N10192 [1,1,0,0,0,0|0,0,1]=3 112 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 Y10083 [1,1,0,0,0,0|0,0,1]=3 113 B12R1.125 CC1=C(CNC(C)C)C=CC=C1 C78577 [1,1,0,0,0,0|1,0,1]=4 114 B12R1.226 CC(C)CNC1=CC=CC(Br)=C1 W16002 [1,1,0,0,0,0|2,0,0]=4 115 B12R1.226 CC(C)COC1=CC(O)=CC=C1 W16042 [1,1,0,0,0,0|2,0,0]=4 116 B12R1.891 CC(C)(C)NSC1=CC=CC=C1 A12195 [1,1,0,0,0,0|2,0,0]=4 117 B12R1.20 CC(=O)C(=O)C1=CC=C(Cl)C=C1 H10945 [0,1,0,0,1,0|1,0,1]=4 118 B12R1.20 CC(C)C(=O)C1=CC=C(O)C=C1 D76549 [0,1,0,0,1,0|0,0,0]=2 119 B12R1.20 CC(C)[C@H](N)C1=CC=C(Br)C=C1 F16981 [0,1,0,0,1,0|1,0,1]=4 120 B12R1.20 CC(C)[C@H](N)C1=CC=C(Br)C=C1 Y11062 [0,1,0,0,1,0|1,0,1]=4 121 B12R1.20 CC(C)[C@H](N)C1=CC=C(Br)C=C1 Y14022 [0,1,0,0,1,0|1,0,1]=4 122 B12R1.20 CC(C)[C@H](N)C1=CC=C(Cl)C=C1 F31299 [0,1,0,0,1,0|1,0,1]=4 123 B12R1.20 CC(C)[C@H](N)C1=CC=C(Cl)C=C1 N12762 [0,1,0,0,1,0|1,0,1]=4 124 B12R1.20 CC(C)[C@H](N)C1=CC=C(F)C=C1 Y10284 [0,1,0,0,1,0|1,0,1]=4 125 B12R1.20 CC(C)[C@H](N)C1=CC=C(F)C=C1 Y10285 [0,1,0,0,1,0|1,0,1]=4 126 B12R1.20 CC1=CC=C(C(=O)C(Br)Br)C=C1 D93381 [0,1,0,0,1,0|2,0,0]=4 127 B12R1.20 CC1=CC=C(C(=O)C(C)C)C=C1 N13973 [0,1,0,0,1,0|0,0,0]=2 128 B12R1.20 CC1=CC=C(C(=O)C(Cl)Cl)C=C1 W17856 [0,1,0,0,1,0|2,0,0]=4 129 B12R1.20 CC1=CC=C([C@@H](N)C(C)C)C=C1 Y11241 [0,1,0,0,1,0|1,0,1]=4 130 B12R1.20 CC1=CC=C([C@@H](N)C(C)C)C=C1 Y11242 [0,1,0,0,1,0|1,0,1]=4 131 B12R1.20 CN(C)C(=O)C1=CC=C(N)C=C1 C75974 [0,1,0,0,1,0|1,0,0]=3 132 B12R1.20 CN(C)C(=O)C1=CN=C(Br)C=C1 C91401 [0,1,0,0,1,0|2,0,0]=4 133 B12R1.20 C[C@H](Br)C(=O)C1=CC=C(Cl)C=C1 W12152 [0,1,0,0,1,0|1,0,0]=3 134 B12R1.20 C[C@H](Br)C(=O)C1=CC=C(O)C=C1 25133 [0,1,0,0,1,0|1,0,0]=3 135 B12R1.20 O=C(C1=CC=C(Br)C=C1)C(F)F 55168 [0,1,0,0,1,0|2,0,0]=4 136 B12R1.124 CC(C)C(=O)C1=C(Cl)C=CC=C1 N12696 [0,1,0,0,1,0|0,0,0]=2 137 B12R1.124 CC(C)C(=O)C1=C(F)C=CC=C1 N13950 [0,1,0,0,1,0|0,0,0]=2 138 B12R1.124 CN(C)C(=O)C1=C(Br)C=CC=C1 D71121 [0,1,0,0,1,0|1,0,0]=3 139 B12R1.225 CC(=O)C(=O)C1=CC=CC(F)=C1 D79282 [0,1,0,0,1,0|1,0,1]=4 140 B12R1.225 CC(C)C(=O)C1=CC=CC(Br)=C1 N12197 [0,1,0,0,1,0|0,0,0]=2 141 B12R1.225 CC(C)[C@H](N)C1=CC=CC(Br)=C1 Y11951 [0,1,0,0,1,0|1,0,1]=4 142 B12R1.225 CC(C)[C@H](N)C1=CC=CC(Br)=C1 Y13383 [0,1,0,0,1,0|1,0,1]=4 143 B12R1.225 CC(C)[C@H](N)C1=CC=CC(Br)=C1 Y14748 [0,1,0,0,1,0|1,0,1]=4 144 B12R1.225 CC(C)[C@H](N)C1=CC=CC(Cl)=C1 Y11171 [0,1,0,0,1,0|1,0,1]=4 145 B12R1.225 CC(C)[C@H](N)C1=CC=CC(Cl)=C1 Y11172 [0,1,0,0,1,0|1,0,1]=4 146 B12R1.225 CC1=CC=CC(C(=O)C(C)C)=C1 N12777 [0,1,0,0,1,0|0,0,0]=2 147 B12R1.225 CN(C)C(=O)C1=NC=CC(Cl)=C1 D84243 [0,1,0,0,1,0|2,0,0]=4 148 B12R1.225 O=C(C1=CC=CC(Br)=C1)C(F)F 79339 [0,1,0,0,1,0|2,0,0]=4 149 B12R1.478 CC(C)[C@H](CN)C1=CC=CC=C1 A11872 [0,1,0,0,1,0|1,0,1]=4 150 B12R1.564 CC(C)(C)[C@H](N)C1=CC=CC=C1 F31035 [0,1,0,0,1,0|1,0,1]=4 151 B12R1.564 CC(C)(C)[C@H](N)C1=CC=CC=C1 F31052 [0,1,0,0,1,0|1,0,1]=4 152 B12R1.564 CC(C)(O)[C@H](N)C1=CC=CC=C1 11249 [0,1,0,0,1,0|1,0,1]=4 153 B12R1.103 CC(C)NC(=O)C1=CC=C(Br)O1 W15986 [0,1,0,0,1,0|2,0,0]=4 154 B12R1.265 CC(C)(C)NC(=O)C1=CC=CO1 11685 [0,1,0,0,1,0|2,0,0]=4 155 B14R1.160 CC(=O)COC(=O)C1=C(N)C=CC=C1 A12001 [0,1,0,0,0,1|1,0,1]=4 156 B14R1.163 O=C(OC[C@@H](O)CO)C1=CC=CC=C1 C74734 [0,1,0,0,0,1|1,0,0]=3 157 B14R1.678 CC1=CC=C(C(=O)CCN(C)C)C=C1 30691 [0,1,0,0,0,1|2,0,0]=4 158 B14R1.678 CN(C)CCC(=O)C1=CC=C(Cl)C=C1 30440 [0,1,0,0,0,1|2,0,0]=4 159 B14R1.678 CN(C)CCC(=O)C1=CC=C(O)C=C1 75642 [0,1,0,0,0,1|2,0,0]=4 160 B14R1.3098 C[N+](C)(C)CCC(=O)C1=CC=CC=C1 C74257 [0,1,0,0,0,1|2,0,0]=4 161 B14R1.433 CC(C)(C)OC(=O)NC1=CN=NC=C1 24424 [0,1,0,0,0,1|2,0,0]=4 162 B14R1.290 CC(C)(C#N)SC(=S)C1=CC=CC=C1 F17744 [0,2,0,0,0,0|0,2,0]=4 163 B14R1.2 CC(C)NC(=O)C1=CC=C(C=O)C=C1 25338 [0,2,0,0,0,0|1,0,0]=3 164 B14R1.683 CC(C)(C)OC(=O)C1=CN=C(Br)C=C1 82768 [0,2,0,0,0,0|1,0,0]=3 165 B14R1.683 CC(C)(C)OC(=O)C1=CN=C(Cl)N=C1 P20781 [0,2,0,0,0,0|2,0,0]=4 166 B14R1.683 CC(C)(C)OC(=O)C1=NC=C(O)N=C1 W11473 [0,2,0,0,0,0|2,0,0]=4 167 B14R1.6048 CC(C)OC(=O)C1=C(Cl)N=C(Cl)N=C1 F15606 [0,2,0,0,0,0|2,0,0]=4 168 B14R1.4252 CC(C)OC(=O)C1=CC(Cl)=NC(Cl)=C1 W11221 [0,2,0,0,0,0|1,0,0]=3 169 B14R1.4252 CC(C)OC(=O)C1=CC(O)=CC(O)=C1 AC9162 [0,2,0,0,0,0|0,0,0]=2 170 B14R1.5966 CC(C)(C)OC(=O)C1=CC(Br)=CN=C1 F13821 [0,2,0,0,0,0|1,0,0]=3 171 B14R1.5966 CC(C)(C)OC(=O)C1=CC(Br)=NC=C1 76781 [0,2,0,0,0,0|1,0,0]=3 172 B14R1.5966 CC(C)(C)OC(=O)C1=CC=CC(Br)=N1 72458 [0,2,0,0,0,0|1,0,0]=3 173 B14R1.5966 CC(C)(C)OC(=O)C1=CC=NC(Cl)=N1 C74111 [0,2,0,0,0,0|2,0,0]=4 174 B14R1.5966 CC(C)(C)OC(=O)C1=NC(N)=CC=C1 D80231 [0,2,0,0,0,0|1,0,0]=3 175 B14R1.5966 CC(C)(C)OC(=O)C1=NC=CC(Br)=C1 D85782 [0,2,0,0,0,0|1,0,0]=3 176 B14R1.5966 CC(C)(C)OC(=O)C1=NC=CC(Cl)=C1 P10913 [0,2,0,0,0,0|1,0,0]=3 177 B14R1.5966 CC(C)(C)OC(=O)C1=NC=CC(N)=C1 P11672 [0,2,0,0,0,0|1,0,0]=3 178 B14R1.6052 CC(C)NC(=O)C1=CC(Br)=CN=C1N W11345 [0,2,0,0,0,0|2,0,0]=4 179 B14R1.4451 CC(C)(C)OC(=O)C1=C(F)C=CC=N1 C73682 [0,2,0,0,0,0|1,0,0]=3 180 B14R1.4451 CC(C)(C)OC(=O)C1=C(I)C=CC=C1 W19040 [0,2,0,0,0,0|0,0,0]=2 181 B14R1.4451 CC(C)(C)OC(=O)C1=C(N)C=CC=C1 AB1268 [0,2,0,0,0,0|0,0,0]=2 182 B14R1.4451 CC(C)(C)OC(=O)C1=CC=CN=C1Cl 96863 [0,2,0,0,0,0|1,0,0]=3 183 B14R1.4451 CC1=C(C(=O)OC(C)(C)C)C=CC=C1 21102 [0,2,0,0,0,0|0,0,0]=2 184 B14R1.5805 CC(C)NS(=O)(=O)C1=C(N)C=CC=C1 25018 [0,2,0,0,0,0|2,0,0]=4 185 B12R2.2 C1=CC(C2=NCCO2)=CN=C1 C75026 [1,0,0,1,0,0|2,0,0]=4 186 B12R2.2 C1=CN=C(C2=NCCO2)C=C1 D75595 [1,0,0,1,0,0|2,0,0]=4 187 B12R2.1081 O=C1CCCC2=C1C=CN=C2 51824 [1,0,0,1,0,0|2,0,0]=4 188 B12R2.1081 O=C1CCCC2=C1C=CN=C2 Y10029 [1,0,0,1,0,0|2,0,0]=4 189 B12R2.1081 O=C1CCCC2=C1C=NC=C2 60208 [1,0,0,1,0,0|2,0,0]=4 190 B12R2.1081 O=C1NCCC2=C1C=CC=N2 78448 [1,0,0,1,0,0|2,0,0]=4 191 B12R2.1081 O=C1NCCC2=C1C=NC=C2 P11596 [1,0,0,1,0,0|2,0,0]=4 192 B12R2.1081 O=C1OC=CC2=C1C=CC=C2 N10038 [1,0,0,1,0,0|0,0,2]=4 193 B12R2.2028 CN1NC(=O)C2=C1C=CC=C2 C71035 [1,0,0,1,0,0|2,0,0]=4 194 B12R2.2028 C[C@@H]1NC(=O)C2=C1C=CC=C2 72362 [1,0,0,1,0,0|1,0,0]=3 195 B12R2.2028 N[C@H]1NC(=O)C2=C1C=CC=C2 Y10046 [1,0,0,1,0,0|2,0,0]=4 196 B12R2.2075 O=C(C1=CC=NC=C1)C2CC2 N14247 [1,0,0,1,0,0|2,0,0]=4 197 B12R2.2057 C1=CC=C(CNC2CC2)C=C1 70487 [1,0,0,1,0,0|1,0,1]=4 198 B14R2.68 C[C@@H]1CN[C@H](C2=CC=CC=C2)CO1 83568 [0,0,0,1,0,1|1,0,1]=4 199 B14R2.598 O=C1C[C@H](C2=CC=CC=C2)C(=O)O1 86146 [0,0,0,1,0,1|1,0,1]=4 200 B14R2.642 CC(C)N1C(Cl)=NC2=C1C=CC=C2 D82881 [0,0,0,1,0,1|2,0,0]=4 201 B14R2.642 CC(C)[C@@H]1C(=O)NC2=C1C=CC=C2 W18023 [0,0,0,1,0,1|1,0,0]=3 202 B14R2.21 CC1CNCC(C2=CC=CC=C2)O1 F17620 [0,1,0,1,0,0|1,0,1]=4 203 B14R2.933 O=C(CC1CC1)C2=CC=C(Cl)C=C2 W12948 [0,1,0,1,0,0|1,0,0]=3 204 B14R2.933 O=C(NC1CC1)C2=CN=C(Cl)C=C2 35874 [0,1,0,1,0,0|2,0,0]=4 205 B14R2.8732 CC1(C)CC(=O)C2=C1C=C(Br)C=C2 F12557 [0,1,0,1,0,0|1,0,0]=3 206 B14R2.8732 CC1(C)NC(=O)C2=C1C=C(Br)C=C2 P14144 [0,1,0,1,0,0|1,0,0]=3 207 B14R2.4643 CC1(C)CC(=O)C2=C1C=CC(Br)=C2 N12788 [0,1,0,1,0,0|1,0,0]=3 208 B14R2.8052 CC1(C)OC(=O)C2=C1C=CN=C2Cl C74465 [0,1,0,1,0,0|1,0,0]=3 209 B14R2.55357 CC1(C)OC(C)(C)C2=C1C=CC=C2 D92830 [0,1,0,1,0,0|1,0,1]=4 210 B10R1.11 CCOC(=O)C1=NC=CS1 24386 [1,0,0,0,1,0|2,0,0]=4 211 B10R1.23 CC(C)C(=O)C1=CC=CO1 N14289 [0,0,0,0,2,0|1,0,0]=3 212 B12R1.32 CCOC(=O)CC1=NC=NC=C1 87620 [1,0,0,0,0,1|2,0,0]=4 213 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 C73314 [1,0,0,0,0,1|1,0,0]=3 214 B12R1.32 CCOC(=O)NC1=CC=NC=C1 F21286 [1,0,0,0,0,1|1,0,0]=3 215 B12R1.32 COCC(=O)OC1=CC=CC=C1 AC8183 [1,0,0,0,0,1|2,0,0]=4 216 B12R1.32 O=C(CCBr)NC1=CC=CC=C1 W16421 [1,0,0,0,0,1|2,0,0]=4 217 B14R1.818 CC(C)NC(=O)CCC1=CC=CC=C1 W16282 [0,0,0,0,0,2|1,0,0]=3