0 B9R1.41 CC(=O)C1=NC=CN1C SPC-h495 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.41 CC1=CSC=C1C(=O)O SPC-r375 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.41 CN1C=CN=C1C(=N)N SPC-i684 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.41 CN1C=NC=C1C(=O)O SPC-g435 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.41 CN1N=CC=C1B(O)O SPC-g562 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.41 CN1N=CC=C1C(=O)O SPC-g327 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.41 NC(=O)C1=CC=CN1N SPC-r256 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.41 NC(=O)C1=CN=CN1N SPC-u477 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.41 NC1=C(C(=O)O)C=CS1 SPC-t631 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.41 O=C(O)C1=C(Br)C=CS1 SPC-g312 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.41 O=C(O)C1=CSC=C1Br SPC-m027 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.7 CC(=O)C1=CNN=C1 SPC-h422 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.7 CC(=O)C1=CSC=C1 SPC-g143 [1,0,0,0,0,0|2,0,0]=3 13 B8R1.7 N=C(N)C1=NC=CN1 SPC-k118 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.7 N=C(N)C1=NC=CN1 SPC-k119 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.7 O=C(O)C1=CC=CN1 SPC-g146 [1,0,0,0,0,0|1,0,0]=2 16 B8R1.7 O=C(O)C1=COC=C1 SPC-n400 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.7 O=C(O)C1=COC=N1 SPC-g687 [1,0,0,0,0,0|2,0,1]=4 18 B8R1.7 O=C(O)C1=NNC=C1 SPC-g199 [1,0,0,0,0,0|2,0,1]=4 19 B8R1.7 O=[N+]([O-])C1=CC=NN1 SPC-n078 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.11 CC1=CSC=C1C=O SPC-p593 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.11 CC1=NNC=C1C=O SPC-t795 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.11 CN1C=CN=C1C#N SPC-k122 [1,0,0,0,0,0|2,0,1]=4 23 B8R1.11 CN1C=CN=C1CN SPC-u748 [1,0,0,0,0,0|2,0,1]=4 24 B8R1.11 CN1C=NC=C1C#N SPC-k811 [1,0,0,0,0,0|2,0,1]=4 25 B8R1.11 CN1C=NC=C1CN SPC-j569 [1,0,0,0,0,0|2,0,1]=4 26 B8R1.11 CN1C=NC=C1CO SPC-k909 [1,0,0,0,0,0|1,0,2]=4 27 B8R1.11 CN1N=CC=C1C=O SPC-r412 [1,0,0,0,0,0|1,0,0]=2 28 B8R1.11 N#CC1=CC=CN1N SPC-g796 [1,0,0,0,0,0|2,0,1]=4 29 B8R1.11 N#CC1=CC=CN1N SPC-q879 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.59 CC(=O)C1=C(Cl)SC(Cl)=C1 SPC-k198 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 SPC-g754 [0,1,0,0,0,0|2,0,0]=3 32 B10R1.59 CN1N=C(Cl)C=C1C(=O)O SPC-j832 [0,1,0,0,0,0|2,0,0]=3 33 B10R1.149 COC(=O)C1=C(Br)C=CN1 SPC-h459 [0,1,0,0,0,0|3,0,0]=4 34 B10R1.149 COC(=O)C1=C(Br)C=CS1 SPC-q115 [0,1,0,0,0,0|3,0,0]=4 35 B10R1.149 COC(=O)C1=C(C)C=CN1 SPC-m282 [0,1,0,0,0,0|2,0,0]=3 36 B10R1.149 COC(=O)C1=C(Cl)C=CN1 SPC-h158 [0,1,0,0,0,0|3,0,0]=4 37 B10R1.149 COC(=O)C1=C(N)C=CO1 SPC-n432 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.149 COC(=O)C1=C(N)C=CO1 SPC-q853 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.149 COC(=O)C1=C(N)SC=C1 SPC-j616 [0,1,0,0,0,0|3,0,0]=4 40 B10R1.149 COC(=O)C1=CC=NN1C SPC-g896 [0,1,0,0,0,0|1,0,0]=2 41 B10R1.149 COC(=O)C1=CN=CN1C SPC-k961 [0,1,0,0,0,0|1,0,0]=2 42 B10R1.149 COC(=O)C1=CNC=C1C SPC-k047 [0,1,0,0,0,0|2,0,0]=3 43 B10R1.149 COC(=O)C1=CSC=C1N SPC-u334 [0,1,0,0,0,0|3,0,0]=4 44 B10R1.194 CC1=CNC(C(=O)O)=C1C SPC-h485 [0,1,0,0,0,0|3,0,0]=4 45 B10R1.61 CC(=O)C1=C(Br)C=NC=C1 SPC-n890 [0,0,0,0,0,1|2,0,0]=3 46 B10R1.61 CC(=O)C1=C(Cl)C=CC=N1 SPC-n891 [0,0,0,0,0,1|2,0,0]=3 47 B10R1.61 CC(=O)C1=C(F)C=CC=N1 SPC-j546 [0,0,0,0,0,1|2,0,0]=3 48 B10R1.61 CC(=O)C1=C(N)N=CC=C1 SPC-r191 [0,0,0,0,0,1|2,0,0]=3 49 B10R1.61 CC(=O)C1=CC=CN=C1Cl SPC-j606 [0,0,0,0,0,1|2,0,0]=3 50 B10R1.61 CC(=O)C1=NC=CN=C1Cl SPC-m051 [0,0,0,0,0,1|3,0,0]=4 51 B10R1.61 CC1=C(C(=O)O)C=NC=C1 SPC-g617 [0,0,0,0,0,1|2,0,0]=3 52 B10R1.61 CC1=C(C(=O)O)C=NN=C1 SPC-j591 [0,0,0,0,0,1|3,0,0]=4 53 B10R1.61 CC1=C([N+](=O)[O-])C=CC=N1 SPC-g293 [0,0,0,0,0,1|3,0,0]=4 54 B10R1.61 CC1=C([N+](=O)[O-])C=CN=C1 SPC-n074 [0,0,0,0,0,1|3,0,0]=4 55 B10R1.61 CC1=CC=CN=C1[N+](=O)[O-] SPC-p404 [0,0,0,0,0,1|3,0,0]=4 56 B10R1.61 CC1=CN=CN=C1C(=O)O SPC-t697 [0,0,0,0,0,1|3,0,0]=4 57 B10R1.61 CC1=NC=CN=C1C(=O)O SPC-j734 [0,0,0,0,0,1|3,0,0]=4 58 B10R1.61 NC(=O)C1=C(N)C=CN=C1 SPC-p487 [0,0,0,0,0,1|3,0,0]=4 59 B10R1.61 NC(=O)C1=C(N)C=CN=C1 SPC-s982 [0,0,0,0,0,1|3,0,0]=4 60 B10R1.61 NC1=C(C(=O)O)C=NC=C1 SPC-g169 [0,0,0,0,0,1|3,0,0]=4 61 B10R1.61 NC1=CC=CN=C1C(=O)O SPC-g425 [0,0,0,0,0,1|3,0,0]=4 62 B10R1.61 O=C(O)C1=C(Br)C=NC=C1 SPC-g116 [0,0,0,0,0,1|3,0,0]=4 63 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 SPC-t006 [0,0,0,0,0,1|3,0,0]=4 64 B10R1.61 O=C(O)C1=C(F)C=CC=N1 SPC-g454 [0,0,0,0,0,1|3,0,0]=4 65 B10R1.61 O=C(O)C1=C(F)C=NC=C1 SPC-g759 [0,0,0,0,0,1|3,0,0]=4 66 B10R1.61 O=C(O)C1=CC=CN=C1Br SPC-m969 [0,0,0,0,0,1|3,0,0]=4 67 B10R1.61 O=C(O)C1=NC=CC=C1O SPC-k065 [0,0,0,0,0,1|3,0,0]=4 68 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 SPC-g746 [0,0,0,0,0,1|3,0,0]=4 69 B10R1.113 CC1=CC(C(=O)O)=CN=C1 SPC-g513 [0,0,0,0,0,1|3,0,0]=4 70 B10R1.113 CC1=CC=NC(C(=O)O)=N1 SPC-k969 [0,0,0,0,0,1|3,0,0]=4 71 B10R1.113 NC1=CC=CC(C(=O)O)=N1 SPC-g233 [0,0,0,0,0,1|3,0,0]=4 72 B10R1.113 O=C(O)C1=CC=CC(Br)=N1 SPC-t071 [0,0,0,0,0,1|3,0,0]=4 73 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 SPC-g340 [0,0,0,0,0,1|3,0,0]=4 74 B7R1.1 N#CC1=CC=CN1 SPC-m922 [2,0,0,0,0,0|1,0,1]=4 75 B7R1.1 O=CC1=CC=NN1 SPC-p008 [2,0,0,0,0,0|1,0,0]=3 76 B7R1.1 O=CC1=CN=CS1 SPC-s113 [2,0,0,0,0,0|2,0,0]=4 77 B7R1.1 O=CC1=COC=N1 SPC-m897 [2,0,0,0,0,0|1,0,1]=4 78 B7R1.1 O=CC1=CSC=C1 SPC-g519 [2,0,0,0,0,0|2,0,0]=4 79 B7R1.1 O=CC1=NC=CN1 SPC-n997 [2,0,0,0,0,0|1,0,0]=3 80 B7R1.1 O=CC1=NC=CS1 SPC-s112 [2,0,0,0,0,0|1,0,1]=4 81 B7R1.4 CN1N=CC=C1N SPC-s781 [2,0,0,0,0,0|2,0,0]=4 82 B9R1.11 COC(=O)C1=CC=CN1 SPC-g232 [1,1,0,0,0,0|0,0,0]=2 83 B9R1.11 COC(=O)C1=CNC=N1 SPC-k809 [1,1,0,0,0,0|1,0,1]=4 84 B9R1.11 COC(=O)C1=NC=CN1 SPC-n423 [1,1,0,0,0,0|1,0,0]=3 85 B9R1.35 CC(=O)C1=CC(N)=NN1 SPC-n888 [1,1,0,0,0,0|1,0,0]=3 86 B9R1.35 CC(=O)C1=CN=C(N)S1 SPC-n879 [1,1,0,0,0,0|2,0,0]=4 87 B9R1.35 CC(=O)C1=CSC(Cl)=C1 SPC-h825 [1,1,0,0,0,0|2,0,0]=4 88 B9R1.35 CC(=O)C1=NC=C(Br)S1 SPC-j787 [1,1,0,0,0,0|1,0,1]=4 89 B9R1.35 CC(=O)N1C=C(I)C=N1 SPC-g604 [1,1,0,0,0,0|1,0,1]=4 90 B9R1.35 CC1=CSC(C(=O)O)=C1 SPC-n156 [1,1,0,0,0,0|2,0,0]=4 91 B9R1.35 CC1=NNC(C(=O)O)=C1 SPC-k758 [1,1,0,0,0,0|2,0,0]=4 92 B9R1.35 NC(=O)C1=CC=C(Br)N1 SPC-m101 [1,1,0,0,0,0|1,0,0]=3 93 B9R1.35 O=C(O)C1=CC=C(Cl)S1 SPC-g094 [1,1,0,0,0,0|2,0,0]=4 94 B9R1.35 O=C(O)C1=CC=C(F)S1 SPC-j710 [1,1,0,0,0,0|2,0,0]=4 95 B9R1.14 COC1=C(C=O)C=CS1 SPC-n025 [1,1,0,0,0,0|2,0,0]=4 96 B9R1.132 CC1=CNC(C=O)=C1C SPC-m565 [1,1,0,0,0,0|2,0,0]=4 97 B9R1.132 CN1C(Br)=CN=C1C=O SPC-t030 [1,1,0,0,0,0|1,0,0]=3 98 B11R1.53 COC1=C(C(C)=O)C=NC=C1 SPC-s730 [0,1,0,0,0,1|1,0,0]=3 99 B11R1.156 CC(=O)C1=C(Cl)C=CC=C1O SPC-t777 [0,1,0,0,0,1|2,0,0]=4 100 B11R1.156 CC1=CC=NC(C)=C1C(=O)O SPC-u166 [0,1,0,0,0,1|2,0,0]=4 101 B11R1.159 CC1=C(Br)C=CN=C1C(=O)O SPC-u228 [0,1,0,0,0,1|2,0,0]=4 102 B11R1.166 CC(=O)C1=C(F)C=C(Br)C=C1 SPC-r400 [0,1,0,0,0,1|2,0,0]=4 103 B11R1.166 CC1=C(C(=O)O)C=CC(Br)=C1 SPC-k301 [0,1,0,0,0,1|2,0,0]=4 104 B11R1.166 CC1=CC(Br)=CN=C1C(=O)O SPC-p660 [0,1,0,0,0,1|2,0,0]=4 105 B11R1.167 CC(=O)C1=CC(Br)=CN=C1F SPC-j994 [0,1,0,0,0,1|2,0,0]=4 106 B11R1.167 CC1=C(C(=O)O)C=C(Br)C=C1 SPC-k299 [0,1,0,0,0,1|2,0,0]=4 107 B11R1.167 CC1=C(C(=O)O)N=C(Br)C=C1 SPC-n249 [0,1,0,0,0,1|2,0,0]=4 108 B11R1.167 CC1=C(C(=O)O)N=C(Cl)C=C1 SPC-t888 [0,1,0,0,0,1|2,0,0]=4 109 B11R1.167 CC1=CC(C(=O)O)=C(C)C=N1 SPC-u756 [0,1,0,0,0,1|2,0,0]=4 110 B11R1.222 COC(=O)C1=C(C)C=NC=C1 SPC-k767 [0,1,0,0,0,1|1,0,0]=3 111 B11R1.222 COC(=O)C1=C(C)C=NN=C1 SPC-m111 [0,1,0,0,0,1|2,0,0]=4 112 B11R1.222 COC(=O)C1=C(C)N=CC=C1 SPC-g251 [0,1,0,0,0,1|1,0,0]=3 113 B11R1.222 COC(=O)C1=C(F)C=NC=C1 SPC-h095 [0,1,0,0,0,1|2,0,0]=4 114 B11R1.222 COC(=O)C1=C(I)C=NC=C1 SPC-h212 [0,1,0,0,0,1|2,0,0]=4 115 B11R1.222 COC(=O)C1=C(N)C=CN=C1 SPC-q126 [0,1,0,0,0,1|2,0,0]=4 116 B11R1.222 COC(=O)C1=C(N)C=NC=C1 SPC-g458 [0,1,0,0,0,1|2,0,0]=4 117 B11R1.222 COC(=O)C1=C(N)N=CC=C1 SPC-t201 [0,1,0,0,0,1|2,0,0]=4 118 B11R1.222 COC(=O)C1=CC=CN=C1Br SPC-g889 [0,1,0,0,0,1|2,0,0]=4 119 B11R1.21 CN1C=C(C(=O)O)C=CC1=O SPC-j150 [0,1,0,0,0,1|1,0,0]=3 120 B11R1.23 COC(=O)C1=NC(C)=CC=N1 SPC-k581 [0,1,0,0,0,1|2,0,0]=4 121 B11R1.23 COC(=O)C1=NC(N)=CC=C1 SPC-g321 [0,1,0,0,0,1|2,0,0]=4 122 B11R1.23 O=C(CBr)C1=CC=CC(Br)=C1 SPC-t754 [0,1,0,0,0,1|2,0,0]=4 123 B11R1.49 CCN1N=C(C)C=C1C(=O)O SPC-h084 [0,2,0,0,0,0|2,0,0]=4 124 B11R1.225 COC(=O)C1=CC(Br)=CN1C SPC-r255 [0,2,0,0,0,0|0,0,0]=2 125 B11R1.225 COC(=O)C1=CC(Cl)=NN1C SPC-h546 [0,2,0,0,0,0|1,0,0]=3 126 B11R1.225 COC(=O)C1=CC(N)=NN1C SPC-v082 [0,2,0,0,0,0|1,0,0]=3 127 B11R1.199 CCOC(=O)C1=C(C)C=CN1 SPC-h813 [0,2,0,0,0,0|2,0,0]=4 128 B9R1.6 CC(=O)C1=NN=CC=C1 SPC-j101 [0,0,1,1,0,0|1,0,1]=4 129 B9R2.3 C1=NN2CCCC2=C1 SPC-v201 [1,0,0,1,0,0|1,0,1]=4 130 B11R2.1 O=C1CCC2=C1C=CC=N2 SPC-n233 [0,0,0,1,0,1|1,0,0]=3 131 B11R2.1 O=C1CCC2=C1C=CN=C2 SPC-q607 [0,0,0,1,0,1|1,0,0]=3 132 B11R2.1 O=C1NCC2=C1C=CC=C2 SPC-m482 [0,0,0,1,0,1|2,0,0]=4 133 B11R2.1 O=C1NCC2=C1C=NC=C2 SPC-h610 [0,0,0,1,0,1|2,0,0]=4 134 B11R2.106 O=C1C=CNN2C=CC=C12 SPC-h965 [0,1,0,1,0,0|0,0,2]=4 135 B11R2.106 O=C1CCCC2=C1C=CN2 SPC-s307 [0,1,0,1,0,0|2,0,0]=4 136 B11R2.106 O=C1N=CNN2C=CC=C12 SPC-h174 [0,1,0,1,0,0|1,0,1]=4 137 B11R2.106 O=C1NCCC2=C1C=CN2 SPC-s173 [0,1,0,1,0,0|2,0,0]=4 138 B11R2.106 O=C1NCCC2=C1C=CO2 SPC-s343 [0,1,0,1,0,0|2,0,0]=4 139 B11R2.106 O=C1NCCC2=C1SC=C2 SPC-s344 [0,1,0,1,0,0|2,0,0]=4 140 B11R2.60 CN1C=CC2=C1CCC2=O SPC-u880 [0,1,0,1,0,0|2,0,0]=4 141 B11R1.86 CC(=O)OC1=CC=CN=C1Br SPC-m968 [0,0,0,0,0,2|2,0,0]=4