0 B12R1.5 COC(=O)C1=CN=C(C#N)C=C1 SPC-k435 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.5 COC(=O)C1=CN=C(C#N)N=C1 SPC-k437 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.5 COC(=O)C1=CN=C(CN)C=C1 SPC-r195 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.5 COC(=O)C1=CN=C(CO)C=C1 SPC-t843 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.5 COC(=O)C1=CN=C(OC)C=C1 SPC-j651 [0,0,0,0,0,0|1,0,0]=1 5 B12R1.5 COC(=O)C1=NC=C(OC)C=C1 SPC-k939 [0,0,0,0,0,0|1,0,0]=1 6 B12R1.5 COC(=O)C1=NC=C(OC)C=N1 SPC-v364 [0,0,0,0,0,0|2,0,0]=2 7 B12R1.5 COC(=O)C1=NN=C(C#N)C=C1 SPC-q164 [0,0,0,0,0,0|4,0,0]=4 8 B12R1.5 COC(=O)C1=NN=C(NN)C=C1 SPC-j385 [0,0,0,0,0,0|4,0,0]=4 9 B12R1.5 COC(=O)C1=NN=C(NN)C=C1 SPC-r164 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 SPC-t403 [1,0,0,0,0,0|1,0,1]=3 11 B11R1.3 C#CC1=NC=C(C(=O)O)C=C1 SPC-v365 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.3 COC1=CN=C(C(=O)O)C=C1 SPC-k940 [1,0,0,0,0,0|1,0,0]=2 13 B11R1.3 COC1=NC=C(B(O)O)C=C1 SPC-j894 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.3 COC1=NC=C(C(=O)O)C=C1 SPC-t080 [1,0,0,0,0,0|1,0,0]=2 15 B11R1.3 NNC1=NC=C(C(=O)O)C=C1 SPC-j432 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.3 O=C(O)C1=CN=C(CO)C=C1 SPC-t672 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.22 COC(=O)C1=CN=C(Cl)C=N1 SPC-g326 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.22 COC(=O)C1=CN=C(Cl)N=C1 SPC-h297 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.22 COC(=O)C1=CNC(=O)C=C1 SPC-g661 [1,0,0,0,0,0|1,0,1]=3 20 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 SPC-g129 [1,0,0,0,0,0|2,0,0]=3 21 B11R1.22 COC(=O)C1=NC=C(Br)C=N1 SPC-k788 [1,0,0,0,0,0|3,0,0]=4 22 B11R1.22 COC(=O)C1=NC=C(C)C=N1 SPC-j807 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.22 COC(=O)C1=NC=C(F)C=C1 SPC-n445 [1,0,0,0,0,0|2,0,0]=3 24 B11R1.22 COC(=O)C1=NC=C(N)C=C1 SPC-g909 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.22 COC(=O)C1=NC=C(N)C=N1 SPC-n443 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.22 COC(=O)C1=NC=C(N)C=N1 SPC-q138 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.22 COC(=O)C1=NC=C(N)N=C1 SPC-h355 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.22 COC(=O)C1=NC=C(O)C=C1 SPC-j676 [1,0,0,0,0,0|1,0,0]=2 29 B11R1.22 COC(=O)C1=NC=C(O)C=N1 SPC-v239 [1,0,0,0,0,0|2,0,0]=3 30 B11R1.22 COC(=O)C1=NN=C(Cl)C=C1 SPC-j171 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.22 COC(=O)C1=NN=C(N)C=C1 SPC-h264 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.22 COC(=O)C1=NN=C(O)C=C1 SPC-g485 [1,0,0,0,0,0|2,0,0]=3 33 B11R1.83 COC1=CC=C(CNN)C=C1 SPC-j055 [1,0,0,0,0,0|2,0,1]=4 34 B13R1.95 COC(=O)C1=C(Br)C=C(C#N)C=C1 SPC-u481 [0,1,0,0,0,0|2,0,0]=3 35 B13R1.95 COC(=O)C1=CC=C(OC)N=C1Cl SPC-u378 [0,1,0,0,0,0|1,0,0]=2 36 B13R1.537 NOC(=O)C1=CC=C([N+](=O)[O-])C=C1 SPC-g468 [0,1,0,0,0,0|3,0,0]=4 37 B13R1.3088 COC(=O)C1=CC(Cl)=C(OC)C=N1 SPC-r181 [0,1,0,0,0,0|1,0,0]=2 38 B13R1.3088 COC(=O)C1=CC(O)=C(OC)C=C1 SPC-k708 [0,1,0,0,0,0|0,0,0]=1 39 B10R1.3 COC1=CN=C(C=O)N=C1 SPC-u633 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.3 COC1=CN=C(CO)C=C1 SPC-n798 [2,0,0,0,0,0|1,0,1]=4 41 B10R1.3 COC1=NC=C(C=O)C=C1 SPC-n262 [2,0,0,0,0,0|1,0,0]=3 42 B10R1.3 COC1=NC=C(CO)C=C1 SPC-j652 [2,0,0,0,0,0|1,0,1]=4 43 B10R1.3 O=CC1=CC=C(CCl)C=C1 SPC-u418 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.13 CC1=CN=C(C(=O)O)C=N1 SPC-h803 [2,0,0,0,0,0|2,0,0]=4 45 B10R1.13 CC1=CN=C(C(=O)O)N=C1 SPC-h567 [2,0,0,0,0,0|2,0,0]=4 46 B10R1.13 CC1=NC=C(C(=O)O)C=N1 SPC-t870 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.13 NC(=O)C1=NC=C(O)C=C1 SPC-u527 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.13 NC1=CN=C(C(=O)O)C=C1 SPC-g569 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.13 NC1=NC=C(C(=O)O)C=C1 SPC-j431 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 SPC-g051 [2,0,0,0,0,0|2,0,0]=4 51 B10R1.13 O=C(O)C1=CN=C(F)C=C1 SPC-p809 [2,0,0,0,0,0|2,0,0]=4 52 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 SPC-g079 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 SPC-t053 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.13 O=C(O)C1=NC=C(O)C=C1 SPC-g279 [2,0,0,0,0,0|1,0,0]=3 55 B10R1.13 O=C(O)C1=NN=C(O)C=C1 SPC-g471 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.13 O=C1C=CC(C(=O)O)=CO1 SPC-k150 [2,0,0,0,0,0|1,0,1]=4 57 B10R1.13 OB(O)C1=CC=C(O)C=C1 SPC-s693 [2,0,0,0,0,0|1,0,1]=4 58 B10R1.15 COC(=O)C1=CN=CN=C1 SPC-j093 [2,0,0,0,0,0|2,0,0]=4 59 B10R1.15 COC(=O)C1=NC=CC=N1 SPC-g360 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.15 COC(=O)C1=NC=NC=C1 SPC-g743 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.15 COC(=O)C1=NN=CC=C1 SPC-g720 [2,0,0,0,0,0|2,0,0]=4 62 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=N1 SPC-u160 [1,1,0,0,0,0|1,0,0]=3 63 B12R1.48 COC1=C(Cl)C=C(C(=O)O)N=C1 SPC-r180 [1,1,0,0,0,0|1,0,0]=3 64 B12R1.452 COC1=CC(N)=C(C(=O)O)C=N1 SPC-v064 [1,1,0,0,0,0|1,0,0]=3 65 B12R1.452 N#CC1=CC(Cl)=C(C(=O)O)C=C1 SPC-r012 [1,1,0,0,0,0|2,0,0]=4 66 B12R1.16 CCOC(=O)C1=CN=C(C)C=C1 SPC-j626 [1,1,0,0,0,0|1,0,0]=3 67 B12R1.367 COC(=O)C1=CC(=O)N(C)C=C1 SPC-j274 [1,1,0,0,0,0|1,0,0]=3 68 B12R1.367 COC(=O)C1=CC(Br)=C(O)C=C1 SPC-t211 [1,1,0,0,0,0|0,0,0]=2 69 B12R1.367 COC(=O)C1=CN(C)C(=O)C=C1 SPC-h086 [1,1,0,0,0,0|1,0,1]=4 70 B12R1.367 COC(=O)C1=CN=C(I)C(O)=C1 SPC-t430 [1,1,0,0,0,0|2,0,0]=4 71 B12R1.367 COC(=O)C1=CN=C(O)C(O)=C1 SPC-m075 [1,1,0,0,0,0|1,0,0]=3 72 B12R1.367 COC(=O)C1=NC(C)=C(F)C=C1 SPC-n444 [1,1,0,0,0,0|2,0,0]=4 73 B12R1.367 COC(=O)C1=NC(O)=C(O)C=C1 SPC-t463 [1,1,0,0,0,0|1,0,0]=3 74 B12R1.367 COC(=O)C1=NC=C(N)C(C)=C1 SPC-m143 [1,1,0,0,0,0|2,0,0]=4 75 B12R1.367 COC(=O)C1=NC=C(O)C(O)=C1 SPC-n442 [1,1,0,0,0,0|1,0,0]=3 76 B12R1.1703 COC(=O)C1=C(Cl)C=C(F)C=C1 SPC-g103 [1,1,0,0,0,0|1,0,0]=3 77 B12R1.1703 COC(=O)C1=C(F)C=C(O)C=N1 SPC-q116 [1,1,0,0,0,0|1,0,0]=3 78 B12R1.1703 COC(=O)C1=C(N)C=C(C)N=C1 SPC-u789 [1,1,0,0,0,0|1,0,0]=3 79 B12R1.1703 COC(=O)C1=C(N)N=C(Cl)C=C1 SPC-h361 [1,1,0,0,0,0|2,0,0]=4 80 B12R1.1703 COC(=O)C1=CN=C(Cl)C=C1Cl SPC-r418 [1,1,0,0,0,0|2,0,0]=4 81 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1Cl SPC-q139 [1,1,0,0,0,0|2,0,0]=4 82 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1F SPC-j930 [1,1,0,0,0,0|2,0,0]=4 83 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1N SPC-j271 [1,1,0,0,0,0|2,0,0]=4 84 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1O SPC-u257 [1,1,0,0,0,0|2,0,0]=4 85 B14R1.1128 COC(=O)C1=C(C)C=C(B(O)O)C=C1 SPC-r020 [0,2,0,0,0,0|2,0,0]=4 86 B14R1.1128 COC(=O)C1=C(C)C=C([N+](=O)[O-])C=C1 SPC-g614 [0,2,0,0,0,0|2,0,0]=4 87 B14R1.2294 COC(=O)C1=CC(F)=C(OC)N=C1Cl SPC-q101 [0,2,0,0,0,0|1,0,0]=3 88 B14R1.718 COC(=O)C1=CN=C(C(=O)OC)C=C1 SPC-t684 [0,2,0,0,0,0|1,0,0]=3 89 B14R1.1864 COC(=O)C1=CC(OC)=C(CO)C=C1 SPC-p893 [0,2,0,0,0,0|2,0,0]=4 90 B12R1.24 COC(=O)C1=C(N)C(C)=CC=C1 SPC-g734 [0,0,1,1,0,0|2,0,0]=4 91 B12R1.24 COC(=O)C1=CC=CN(C)C1=O SPC-q089 [0,0,1,1,0,0|2,0,0]=4 92 B12R2.612 NC1=CC2=C(C=C1)C(=O)NC2 SPC-h457 [1,0,0,1,0,0|2,0,0]=4 93 B12R2.612 O=C1NCC2=C1C=CC(Br)=C2 SPC-q927 [1,0,0,1,0,0|2,0,0]=4 94 B12R2.612 O=C1OCC2=C1C=CC(Br)=C2 SPC-q956 [1,0,0,1,0,0|1,0,0]=3 95 B12R2.612 OB1OCC2=C1C=CC(O)=C2 SPC-n932 [1,0,0,1,0,0|1,0,1]=4 96 B12R2.44 COC1=CC2=C(C=CN2)C=C1 SPC-p812 [1,0,0,1,0,0|2,0,0]=4 97 B14R2.966 COC(=O)C1=CC2=C(C=C1)C=NN2 SPC-g470 [0,1,0,1,0,0|2,0,0]=4 98 B14R2.966 COC(=O)C1=CC2=C(C=C1)NC=C2 SPC-g164 [0,1,0,1,0,0|1,0,1]=4 99 B14R2.966 COC(=O)C1=CC2=C(C=C1)NN=C2 SPC-g350 [0,1,0,1,0,0|1,0,1]=4 100 B14R2.966 COC(=O)C1=CC2=C(C=CN2)C=C1 SPC-g089 [0,1,0,1,0,0|1,0,1]=4 101 B14R2.326 COC1=CC=C(C2(O)COC2)C=C1 SPC-a056 [0,1,0,1,0,0|0,0,2]=4 102 B14R2.5719 O=C(O)C1=CC2=C(C=C1)C(=O)OC2 SPC-m433 [0,1,0,1,0,0|2,0,0]=4 103 B10R1.14 COC(=O)C1=CC(Br)=CN1 SPC-g315 [1,0,0,0,1,0|2,0,0]=4 104 B10R1.14 COC(=O)C1=CC(Br)=CS1 SPC-j659 [1,0,0,0,1,0|2,0,0]=4 105 B10R1.14 COC(=O)C1=CC(Cl)=CS1 SPC-k813 [1,0,0,0,1,0|2,0,0]=4 106 B10R1.14 COC(=O)C1=CC=C(Br)S1 SPC-j660 [1,0,0,0,1,0|2,0,0]=4 107 B10R1.14 COC(=O)C1=CC=C(N)O1 SPC-k486 [1,0,0,0,1,0|2,0,0]=4 108 B10R1.14 COC(=O)C1=CN(C)C=N1 SPC-m489 [1,0,0,0,1,0|2,0,0]=4 109 B10R1.14 COC(=O)C1=CSC(Cl)=C1 SPC-k869 [1,0,0,0,1,0|2,0,0]=4 110 B10R1.14 COC(=O)C1=NC=C(C)O1 SPC-n447 [1,0,0,0,1,0|2,0,0]=4 111 B10R1.14 COC(=O)C1=NN(C)C=C1 SPC-h234 [1,0,0,0,1,0|2,0,0]=4 112 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 SPC-g230 [1,0,0,0,0,1|1,0,0]=3 113 B12R1.49 COC(=O)CC1=CN=C(Br)C=C1 SPC-v078 [1,0,0,0,0,1|2,0,0]=4 114 B12R1.49 COC(=O)CC1=NC=C(Br)C=C1 SPC-k031 [1,0,0,0,0,1|2,0,0]=4 115 B12R1.435 COC(=O)C1=CC=CC(CBr)=C1 SPC-t418 [0,0,0,0,1,1|2,0,0]=4 116 B12R1.435 COC(=O)C1=NC=CC(CCl)=C1 SPC-q122 [0,0,0,0,1,1|2,0,0]=4