0 B10R1.15 CC[C@H](N)C1=NC=CN=C1 SPC-n915 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.15 COC(=O)C1=CN=CN=C1 SPC-j093 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.15 COC(=O)C1=NC=CC=N1 SPC-g360 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.15 COC(=O)C1=NC=NC=C1 SPC-g743 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.15 COC(=O)C1=NN=CC=C1 SPC-g720 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.15 N[C@H](CO)C1=CC=CC=C1 SPC-t740 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.15 O=C(CBr)C1=NC=CC=N1 SPC-r240 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.6 CC(=O)C1=CN=CN=C1 SPC-j094 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.6 CC(=O)C1=CN=NC=C1 SPC-r163 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.6 CC(=O)C1=NC=CC=N1 SPC-k981 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.6 CC(=O)C1=NN=CC=C1 SPC-j101 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.6 CC(C)C1=NC=CC=C1 SPC-g429 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.6 C[C@H](O)C1=CC=CC=C1 SPC-s644 [1,0,0,0,0,0|0,0,2]=3 13 B9R1.6 O=C(O)C1=CN=CN=C1 SPC-g357 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.6 O=C(O)C1=CN=NC=C1 SPC-n492 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.6 O=C(O)C1=NC=CC=N1 SPC-g298 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.6 O=C(O)C1=NC=CN=C1 SPC-g023 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.6 O=C(O)C1=NC=NC=C1 SPC-g351 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.6 O=C(O)C1=NN=CC=C1 SPC-g662 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.22 COC(=O)C1=CN=C(Cl)C=N1 SPC-g326 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.22 COC(=O)C1=CN=C(Cl)N=C1 SPC-h297 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.22 COC(=O)C1=CNC(=O)C=C1 SPC-g661 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 SPC-g129 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.22 COC(=O)C1=NC=C(Br)C=N1 SPC-k788 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.22 COC(=O)C1=NC=C(C)C=N1 SPC-j807 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.22 COC(=O)C1=NC=C(F)C=C1 SPC-n445 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.22 COC(=O)C1=NC=C(N)C=C1 SPC-g909 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.22 COC(=O)C1=NC=C(N)C=N1 SPC-n443 [0,1,0,0,0,0|3,0,0]=4 28 B11R1.22 COC(=O)C1=NC=C(N)C=N1 SPC-q138 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.22 COC(=O)C1=NC=C(N)N=C1 SPC-h355 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.22 COC(=O)C1=NC=C(O)C=C1 SPC-j676 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.22 COC(=O)C1=NC=C(O)C=N1 SPC-v239 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.22 COC(=O)C1=NN=C(Cl)C=C1 SPC-j171 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.22 COC(=O)C1=NN=C(N)C=C1 SPC-h264 [0,1,0,0,0,0|3,0,0]=4 34 B11R1.22 COC(=O)C1=NN=C(O)C=C1 SPC-g485 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.23 COC(=O)C1=CC(=O)NC=C1 SPC-g578 [0,1,0,0,0,0|2,0,0]=3 36 B11R1.23 COC(=O)C1=CC(Cl)=NC=C1 SPC-g200 [0,1,0,0,0,0|2,0,0]=3 37 B11R1.23 COC(=O)C1=CC(Cl)=NN=C1 SPC-h440 [0,1,0,0,0,0|3,0,0]=4 38 B11R1.23 COC(=O)C1=CC(F)=CN=C1 SPC-n446 [0,1,0,0,0,0|2,0,0]=3 39 B11R1.23 COC(=O)C1=CC=NC(Cl)=N1 SPC-k177 [0,1,0,0,0,0|3,0,0]=4 40 B11R1.23 COC(=O)C1=CN=CC(Cl)=N1 SPC-m476 [0,1,0,0,0,0|3,0,0]=4 41 B11R1.23 COC(=O)C1=NC(C)=CC=N1 SPC-k581 [0,1,0,0,0,0|3,0,0]=4 42 B11R1.23 COC(=O)C1=NC(N)=CC=C1 SPC-g321 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.23 COC(=O)C1=NC=CC(Br)=C1 SPC-g575 [0,1,0,0,0,0|2,0,0]=3 44 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 SPC-g180 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.23 COC(=O)C1=NC=CC(F)=C1 SPC-r207 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.23 COC(=O)C1=NC=CC(N)=C1 SPC-j118 [0,1,0,0,0,0|2,0,0]=3 47 B11R1.23 COC(=O)C1=NC=NC(C)=C1 SPC-t667 [0,1,0,0,0,0|3,0,0]=4 48 B11R1.23 COC(=O)C1=NC=NC(N)=C1 SPC-n449 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.23 COC(=O)C1=NN=CC(C)=C1 SPC-q154 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.23 NNC(=O)C1=CC(Cl)=NC=C1 SPC-j352 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.23 O=C(CBr)C1=CC=CC(Br)=C1 SPC-t754 [0,1,0,0,0,0|1,0,0]=2 52 B11R1.36 O[C@H](C1=CC=CC=C1)C(F)F SPC-d078 [0,1,0,0,0,0|1,0,2]=4 53 B11R1.222 COC(=O)C1=C(C)C=NC=C1 SPC-k767 [0,1,0,0,0,0|2,0,0]=3 54 B11R1.222 COC(=O)C1=C(C)C=NN=C1 SPC-m111 [0,1,0,0,0,0|3,0,0]=4 55 B11R1.222 COC(=O)C1=C(C)N=CC=C1 SPC-g251 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.222 COC(=O)C1=C(F)C=NC=C1 SPC-h095 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.222 COC(=O)C1=C(I)C=NC=C1 SPC-h212 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.222 COC(=O)C1=C(N)C=CN=C1 SPC-q126 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.222 COC(=O)C1=C(N)C=NC=C1 SPC-g458 [0,1,0,0,0,0|2,0,0]=3 60 B11R1.222 COC(=O)C1=C(N)N=CC=C1 SPC-t201 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.222 COC(=O)C1=CC=CN=C1Br SPC-g889 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.222 COC(=O)C1=NC=CN=C1Br SPC-t213 [0,1,0,0,0,0|3,0,0]=4 63 B11R1.222 COC(=O)C1=NC=CN=C1Cl SPC-m475 [0,1,0,0,0,0|3,0,0]=4 64 B11R1.222 COC(=O)C1=NC=CN=C1F SPC-n435 [0,1,0,0,0,0|3,0,0]=4 65 B11R1.222 COC(=O)C1=NC=CN=C1N SPC-k261 [0,1,0,0,0,0|3,0,0]=4 66 B11R2.1 BrC1=NNC2=C1C=CC=C2 SPC-g767 [0,0,0,1,0,0|3,0,0]=4 67 B11R2.1 CC1=CNC2=C1C=CC=C2 SPC-g422 [0,0,0,1,0,0|2,0,1]=4 68 B11R2.1 CC1=NNC2=C1C=CC=C2 SPC-m579 [0,0,0,1,0,0|3,0,0]=4 69 B11R2.1 ClC1=CNC2=C1C=CC=C2 SPC-n094 [0,0,0,1,0,0|2,0,1]=4 70 B11R2.1 IC1=NNC2=C1C=CC=C2 SPC-g726 [0,0,0,1,0,0|3,0,0]=4 71 B11R2.1 O=C1CCC2=C1C=CC=N2 SPC-n233 [0,0,0,1,0,0|1,0,0]=2 72 B11R2.1 O=C1CCC2=C1C=CN=C2 SPC-q607 [0,0,0,1,0,0|1,0,0]=2 73 B11R2.1 O=C1NCC2=C1C=CC=C2 SPC-m482 [0,0,0,1,0,0|1,0,0]=2 74 B11R2.1 O=C1NCC2=C1C=NC=C2 SPC-h610 [0,0,0,1,0,0|2,0,0]=3 75 B11R2.1 O=C1NCC2=C1CC=CC2 SPC-n014 [0,0,0,1,0,0|1,0,2]=4 76 B11R2.4 NC1CC1C2=CC=CC=C2 SPC-q828 [0,0,0,1,0,0|2,0,1]=4 77 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 SPC-n633 [0,0,0,1,0,0|2,0,1]=4 78 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 SPC-p937 [0,0,0,1,0,0|2,0,1]=4 79 B11R2.40 NC1(C2=CC=NC=C2)CC1 SPC-n917 [0,0,0,1,0,0|2,0,1]=4 80 B11R2.239 C1=CC=C(C2COC2)C=C1 SPC-a273 [0,0,0,1,0,0|2,0,1]=4 81 B9R1.11 CNC(=O)C1=CNN=C1 SPC-r110 [0,0,0,0,1,0|3,0,0]=4 82 B9R1.11 COC(=O)C1=CC=CN1 SPC-g232 [0,0,0,0,1,0|2,0,0]=3 83 B9R1.11 COC(=O)C1=CNC=N1 SPC-k809 [0,0,0,0,1,0|3,0,0]=4 84 B9R1.11 COC(=O)C1=CNN=C1 SPC-g646 [0,0,0,0,1,0|3,0,0]=4 85 B9R1.11 COC(=O)C1=NC=CN1 SPC-n423 [0,0,0,0,1,0|3,0,0]=4 86 B11R1.40 COC(=O)CC1=CN=NC=C1 SPC-j127 [0,0,0,0,0,1|3,0,0]=4 87 B11R1.40 COC(=O)CC1=NC=CC=C1 SPC-j372 [0,0,0,0,0,1|2,0,0]=3 88 B11R1.40 COC(=O)CC1=NC=NC=C1 SPC-v636 [0,0,0,0,0,1|3,0,0]=4 89 B8R1.2 NCC1=CC=NC=C1 SPC-k269 [2,0,0,0,0,0|2,0,0]=4 90 B8R1.2 O=CC1=CN=CC=C1 SPC-g255 [2,0,0,0,0,0|1,0,0]=3 91 B8R1.2 O=CC1=CN=CN=C1 SPC-j129 [2,0,0,0,0,0|2,0,0]=4 92 B8R1.2 O=CC1=CN=NC=C1 SPC-n491 [2,0,0,0,0,0|2,0,0]=4 93 B8R1.2 O=CC1=NC=CC=N1 SPC-j098 [2,0,0,0,0,0|2,0,0]=4 94 B8R1.2 O=CC1=NC=CN=C1 SPC-j095 [2,0,0,0,0,0|2,0,0]=4 95 B8R1.2 OCC1=CN=CC=C1 SPC-g084 [2,0,0,0,0,0|2,0,0]=4 96 B10R1.13 CC(=O)C1=CN=C(Cl)N=C1 SPC-v154 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.13 CC(=O)C1=NC=C(Br)C=N1 SPC-h078 [1,1,0,0,0,0|2,0,0]=4 98 B10R1.13 CC(=O)C1=NN=C(Cl)C=C1 SPC-m248 [1,1,0,0,0,0|2,0,0]=4 99 B10R1.13 NC(=O)C1=NC=C(O)C=C1 SPC-u527 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.13 NC1=CN=C(C(=O)O)C=C1 SPC-g569 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.13 NC1=NC=C(C(=O)O)C=C1 SPC-j431 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 SPC-g051 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.13 O=C(O)C1=CN=C(F)C=C1 SPC-p809 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 SPC-g079 [1,1,0,0,0,0|2,0,0]=4 105 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 SPC-t053 [1,1,0,0,0,0|2,0,0]=4 106 B10R1.13 O=C(O)C1=NC=C(O)C=C1 SPC-g279 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.13 O=C1C=CC(C(=O)O)=CO1 SPC-k150 [1,1,0,0,0,0|2,0,0]=4 108 B10R1.28 CC(C)(O)C1=CC=CC=C1 SPC-g210 [1,1,0,0,0,0|0,0,2]=4 109 B10R1.61 CC(=O)C1=C(Br)C=NC=C1 SPC-n890 [1,1,0,0,0,0|1,0,0]=3 110 B10R1.61 CC(=O)C1=C(Cl)C=CC=N1 SPC-n891 [1,1,0,0,0,0|1,0,0]=3 111 B10R1.61 CC(=O)C1=C(F)C=CC=N1 SPC-j546 [1,1,0,0,0,0|1,0,0]=3 112 B10R1.61 CC(=O)C1=C(N)N=CC=C1 SPC-r191 [1,1,0,0,0,0|1,0,0]=3 113 B10R1.61 CC(=O)C1=CC=CN=C1Cl SPC-j606 [1,1,0,0,0,0|1,0,0]=3 114 B10R1.61 CC(=O)C1=NC=CN=C1Cl SPC-m051 [1,1,0,0,0,0|2,0,0]=4 115 B10R1.61 CC1=C(C(=O)O)C=NC=C1 SPC-g617 [1,1,0,0,0,0|2,0,0]=4 116 B10R1.61 NC(=O)C1=C(N)C=CN=C1 SPC-p487 [1,1,0,0,0,0|2,0,0]=4 117 B10R1.61 NC(=O)C1=C(N)C=CN=C1 SPC-s982 [1,1,0,0,0,0|2,0,0]=4 118 B10R1.61 NC1=C(C(=O)O)C=NC=C1 SPC-g169 [1,1,0,0,0,0|2,0,0]=4 119 B10R1.61 NC1=CC=CN=C1C(=O)O SPC-g425 [1,1,0,0,0,0|2,0,0]=4 120 B10R1.61 O=C(O)C1=C(Br)C=NC=C1 SPC-g116 [1,1,0,0,0,0|2,0,0]=4 121 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 SPC-t006 [1,1,0,0,0,0|2,0,0]=4 122 B10R1.61 O=C(O)C1=C(F)C=CC=N1 SPC-g454 [1,1,0,0,0,0|2,0,0]=4 123 B10R1.61 O=C(O)C1=C(F)C=NC=C1 SPC-g759 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.61 O=C(O)C1=CC=CN=C1Br SPC-m969 [1,1,0,0,0,0|2,0,0]=4 125 B10R1.61 O=C(O)C1=NC=CC=C1O SPC-k065 [1,1,0,0,0,0|2,0,0]=4 126 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 SPC-g746 [1,1,0,0,0,0|1,0,0]=3 127 B10R1.113 CC1=CC(C(=O)O)=CN=C1 SPC-g513 [1,1,0,0,0,0|2,0,0]=4 128 B10R1.113 NC(=O)C1=NC=CC(Br)=C1 SPC-m628 [1,1,0,0,0,0|2,0,0]=4 129 B10R1.113 NC1=CC(C(=O)O)=NC=C1 SPC-g504 [1,1,0,0,0,0|2,0,0]=4 130 B10R1.113 NC1=CC=CC(C(=O)O)=N1 SPC-g233 [1,1,0,0,0,0|2,0,0]=4 131 B10R1.113 NC1=NC=CC(C(=O)O)=C1 SPC-g225 [1,1,0,0,0,0|2,0,0]=4 132 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 SPC-s846 [1,1,0,0,0,0|2,0,0]=4 133 B10R1.113 O=C(O)C1=CC(Cl)=CN=C1 SPC-g633 [1,1,0,0,0,0|2,0,0]=4 134 B10R1.113 O=C(O)C1=CC(F)=CN=C1 SPC-g694 [1,1,0,0,0,0|2,0,0]=4 135 B10R1.113 O=C(O)C1=CC(O)=NC=C1 SPC-g630 [1,1,0,0,0,0|2,0,0]=4 136 B10R1.113 O=C(O)C1=CC=CC(Br)=N1 SPC-t071 [1,1,0,0,0,0|2,0,0]=4 137 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 SPC-g340 [1,1,0,0,0,0|2,0,0]=4 138 B10R1.113 O=C(O)C1=CN=CC(O)=C1 SPC-g433 [1,1,0,0,0,0|2,0,0]=4 139 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 SPC-k816 [1,1,0,0,0,0|2,0,0]=4 140 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 SPC-t005 [1,1,0,0,0,0|2,0,0]=4 141 B10R1.113 O=C(O)C1=NC=CC(I)=C1 SPC-m662 [1,1,0,0,0,0|2,0,0]=4 142 B10R1.113 O=[N+]([O-])C1=CC=CC(F)=C1 SPC-n990 [1,1,0,0,0,0|2,0,0]=4 143 B10R1.1 FC1=CC=C(CCBr)C=C1 SPC-g391 [1,1,0,0,0,0|1,0,1]=4 144 B10R1.1 NCCC1=CC=C(N)C=C1 SPC-r402 [1,1,0,0,0,0|1,0,1]=4 145 B10R1.10 NCCC1=CC=CC(Cl)=C1 SPC-j893 [1,1,0,0,0,0|1,0,1]=4 146 B10R1.17 OCCCC1=NC=CC=C1 SPC-g488 [1,1,0,0,0,0|1,0,1]=4 147 B10R1.11 CCOC(=O)C1=CC=CN1 SPC-n377 [0,1,0,0,1,0|1,0,0]=3 148 B10R1.11 CCOC(=O)C1=CC=NN1 SPC-g673 [0,1,0,0,1,0|2,0,0]=4 149 B10R1.11 CCOC(=O)C1=CN=CO1 SPC-p990 [0,1,0,0,1,0|2,0,0]=4 150 B10R1.11 CCOC(=O)C1=CNN=C1 SPC-g213 [0,1,0,0,1,0|2,0,0]=4 151 B10R1.11 CCOC(=O)C1=COC=N1 SPC-g401 [0,1,0,0,1,0|2,0,0]=4 152 B10R1.11 CCOC(=O)C1=CON=C1 SPC-i576 [0,1,0,0,1,0|2,0,0]=4 153 B10R1.11 CCOC(=O)C1=NOC=C1 SPC-g943 [0,1,0,0,1,0|2,0,0]=4 154 B10R1.14 COC(=O)C1=CC(Br)=CN1 SPC-g315 [0,1,0,0,1,0|2,0,0]=4 155 B10R1.14 COC(=O)C1=CC(Br)=CS1 SPC-j659 [0,1,0,0,1,0|2,0,0]=4 156 B10R1.14 COC(=O)C1=CC(Cl)=CS1 SPC-k813 [0,1,0,0,1,0|2,0,0]=4 157 B10R1.14 COC(=O)C1=CC=C(Br)S1 SPC-j660 [0,1,0,0,1,0|2,0,0]=4 158 B10R1.14 COC(=O)C1=CC=C(N)O1 SPC-k486 [0,1,0,0,1,0|2,0,0]=4 159 B10R1.14 COC(=O)C1=CSC(Cl)=C1 SPC-k869 [0,1,0,0,1,0|2,0,0]=4 160 B10R1.149 COC(=O)C1=C(Br)C=CN1 SPC-h459 [0,1,0,0,1,0|2,0,0]=4 161 B10R1.149 COC(=O)C1=C(Br)C=CS1 SPC-q115 [0,1,0,0,1,0|2,0,0]=4 162 B10R1.149 COC(=O)C1=C(C)C=CN1 SPC-m282 [0,1,0,0,1,0|2,0,0]=4 163 B10R1.149 COC(=O)C1=C(Cl)C=CN1 SPC-h158 [0,1,0,0,1,0|2,0,0]=4 164 B10R1.149 COC(=O)C1=C(N)C=CO1 SPC-n432 [0,1,0,0,1,0|2,0,0]=4 165 B10R1.149 COC(=O)C1=C(N)C=CO1 SPC-q853 [0,1,0,0,1,0|2,0,0]=4 166 B10R1.149 COC(=O)C1=C(N)SC=C1 SPC-j616 [0,1,0,0,1,0|2,0,0]=4 167 B10R1.149 COC(=O)C1=CNC=C1C SPC-k047 [0,1,0,0,1,0|2,0,0]=4 168 B10R1.149 COC(=O)C1=CSC=C1N SPC-u334 [0,1,0,0,1,0|2,0,0]=4 169 B12R1.32 CCOC(=O)CC1=CN=CC=C1 SPC-t172 [0,1,0,0,0,1|1,0,0]=3 170 B12R1.32 CCOC(=O)CC1=NC=CC=C1 SPC-k195 [0,1,0,0,0,1|1,0,0]=3 171 B12R1.32 CCOC(=O)CC1=NN=CC=C1 SPC-m727 [0,1,0,0,0,1|2,0,0]=4 172 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 SPC-g230 [0,1,0,0,0,1|1,0,0]=3 173 B12R1.49 COC(=O)CC1=CN=C(Br)C=C1 SPC-v078 [0,1,0,0,0,1|2,0,0]=4 174 B12R1.49 COC(=O)CC1=NC=C(Br)C=C1 SPC-k031 [0,1,0,0,0,1|2,0,0]=4 175 B12R1.50 C=CC(=O)NC1=CC(N)=CC=C1 SPC-u409 [0,1,0,0,0,1|0,0,2]=4 176 B12R1.50 COC(=O)CC1=CN=CC(C)=C1 SPC-m690 [0,1,0,0,0,1|2,0,0]=4 177 B12R1.371 COC(=O)CC1=C(Br)C=CC=N1 SPC-q093 [0,1,0,0,0,1|2,0,0]=4 178 B12R1.16 CCOC(=O)C1=CN=C(C)C=C1 SPC-j626 [0,2,0,0,0,0|1,0,0]=3 179 B12R1.16 CCOC(=O)C1=CN=C(Cl)N=C1 SPC-g677 [0,2,0,0,0,0|2,0,0]=4 180 B12R1.16 CCOC(=O)C1=NC=C(Cl)C=N1 SPC-m721 [0,2,0,0,0,0|2,0,0]=4 181 B12R1.17 CCOC(=O)C1=CC(Cl)=NC=N1 SPC-j621 [0,2,0,0,0,0|2,0,0]=4 182 B12R1.308 CCOC(=O)C1=C(C)N=CC=C1 SPC-t177 [0,2,0,0,0,0|1,0,0]=3 183 B12R1.308 CCOC(=O)C1=C(C)N=CN=C1 SPC-q022 [0,2,0,0,0,0|2,0,0]=4 184 B12R1.308 CCOC(=O)C1=C(N)N=CC=C1 SPC-g193 [0,2,0,0,0,0|1,0,0]=3 185 B12R1.308 CCOC(=O)C1=C(O)N=CN=C1 SPC-u710 [0,2,0,0,0,0|2,0,0]=4 186 B12R1.5 COC(=O)C1=CN=C(C#N)C=C1 SPC-k435 [0,2,0,0,0,0|2,0,0]=4 187 B12R1.5 COC(=O)C1=CN=C(CN)C=C1 SPC-r195 [0,2,0,0,0,0|2,0,0]=4 188 B12R1.5 COC(=O)C1=CN=C(CO)C=C1 SPC-t843 [0,2,0,0,0,0|2,0,0]=4 189 B12R1.5 COC(=O)C1=CN=C(OC)C=C1 SPC-j651 [0,2,0,0,0,0|2,0,0]=4 190 B12R1.5 COC(=O)C1=NC=C(OC)C=C1 SPC-k939 [0,2,0,0,0,0|2,0,0]=4 191 B12R1.367 COC(=O)C1=CC(=O)N(C)C=C1 SPC-j274 [0,2,0,0,0,0|2,0,0]=4 192 B12R1.367 COC(=O)C1=CC(Br)=C(O)C=C1 SPC-t211 [0,2,0,0,0,0|1,0,0]=3 193 B12R1.367 COC(=O)C1=CN(C)C(=O)C=C1 SPC-h086 [0,2,0,0,0,0|2,0,0]=4 194 B12R1.367 COC(=O)C1=CN=C(I)C(O)=C1 SPC-t430 [0,2,0,0,0,0|2,0,0]=4 195 B12R1.367 COC(=O)C1=CN=C(O)C(O)=C1 SPC-m075 [0,2,0,0,0,0|2,0,0]=4 196 B12R1.367 COC(=O)C1=NC(C)=C(F)C=C1 SPC-n444 [0,2,0,0,0,0|2,0,0]=4 197 B12R1.367 COC(=O)C1=NC(O)=C(O)C=C1 SPC-t463 [0,2,0,0,0,0|2,0,0]=4 198 B12R1.367 COC(=O)C1=NC=C(N)C(C)=C1 SPC-m143 [0,2,0,0,0,0|2,0,0]=4 199 B12R1.367 COC(=O)C1=NC=C(O)C(O)=C1 SPC-n442 [0,2,0,0,0,0|2,0,0]=4 200 B12R1.1703 COC(=O)C1=C(Cl)C=C(F)C=C1 SPC-g103 [0,2,0,0,0,0|1,0,0]=3 201 B12R1.1703 COC(=O)C1=C(F)C=C(O)C=N1 SPC-q116 [0,2,0,0,0,0|2,0,0]=4 202 B12R1.1703 COC(=O)C1=C(N)C=C(C)N=C1 SPC-u789 [0,2,0,0,0,0|2,0,0]=4 203 B12R1.1703 COC(=O)C1=C(N)N=C(Cl)C=C1 SPC-h361 [0,2,0,0,0,0|2,0,0]=4 204 B12R1.1703 COC(=O)C1=CN=C(Cl)C=C1Cl SPC-r418 [0,2,0,0,0,0|2,0,0]=4 205 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1Cl SPC-q139 [0,2,0,0,0,0|2,0,0]=4 206 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1F SPC-j930 [0,2,0,0,0,0|2,0,0]=4 207 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1N SPC-j271 [0,2,0,0,0,0|2,0,0]=4 208 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1O SPC-u257 [0,2,0,0,0,0|2,0,0]=4 209 B12R1.24 CCC(=O)C1=CC=CC(Cl)=C1O SPC-s726 [0,2,0,0,0,0|0,0,0]=2 210 B12R1.24 COC(=O)C1=C(N)C(C)=CC=C1 SPC-g734 [0,2,0,0,0,0|1,0,0]=3 211 B12R1.24 COC(=O)C1=C(N)C(C)=NC=C1 SPC-t209 [0,2,0,0,0,0|2,0,0]=4 212 B12R1.24 COC(=O)C1=CC=CN(C)C1=O SPC-q089 [0,2,0,0,0,0|2,0,0]=4 213 B12R1.354 COC(=O)C1=C(O)C=CC(Br)=N1 SPC-r190 [0,2,0,0,0,0|2,0,0]=4 214 B12R1.354 COC(=O)C1=CC(Br)=CN=C1Cl SPC-t673 [0,2,0,0,0,0|2,0,0]=4 215 B12R1.354 COC(=O)C1=CC(Br)=CN=C1O SPC-g475 [0,2,0,0,0,0|2,0,0]=4 216 B12R1.354 COC(=O)C1=CC(Br)=NC=C1N SPC-q137 [0,2,0,0,0,0|2,0,0]=4 217 B12R1.354 COC(=O)C1=CC(Br)=NC=C1O SPC-q100 [0,2,0,0,0,0|2,0,0]=4 218 B12R1.354 COC(=O)C1=CC(F)=CN=C1Cl SPC-n426 [0,2,0,0,0,0|2,0,0]=4 219 B12R1.354 COC(=O)C1=CC(O)=CN=C1Cl SPC-n427 [0,2,0,0,0,0|2,0,0]=4 220 B12R1.358 COC(=O)C1=CC(Br)=CC(N)=N1 SPC-t688 [0,2,0,0,0,0|2,0,0]=4 221 B12R1.358 COC(=O)C1=CC(Br)=NC(Br)=C1 SPC-r212 [0,2,0,0,0,0|2,0,0]=4 222 B12R1.358 COC(=O)C1=CC(Br)=NC(C)=C1 SPC-m430 [0,2,0,0,0,0|2,0,0]=4 223 B12R1.358 COC(=O)C1=CC(Cl)=NC(C)=C1 SPC-g450 [0,2,0,0,0,0|2,0,0]=4 224 B12R1.435 COC(=O)C1=CC=CC(CBr)=C1 SPC-t418 [0,2,0,0,0,0|1,0,0]=3 225 B12R1.435 COC(=O)C1=NC=CC(CCl)=C1 SPC-q122 [0,2,0,0,0,0|2,0,0]=4 226 B12R1.3441 COC(=O)C1=C(Br)C=NC=C1C SPC-r233 [0,2,0,0,0,0|2,0,0]=4 227 B12R1.3441 COC(=O)C1=C(Cl)C=CN=C1C SPC-t221 [0,2,0,0,0,0|2,0,0]=4 228 B12R1.3441 COC(=O)C1=C(F)C=CN=C1Cl SPC-r220 [0,2,0,0,0,0|2,0,0]=4 229 B12R1.3441 COC(=O)C1=C(N)C=CN=C1Cl SPC-k791 [0,2,0,0,0,0|2,0,0]=4 230 B10R2.7 C1=CC2=C(C=C1)CNC2 SPC-t877 [1,0,0,1,0,0|1,0,1]=4 231 B10R2.7 C1=CC2=C(C=C1)NN=C2 SPC-m915 [1,0,0,1,0,0|2,0,0]=4 232 B10R2.7 C1=CN=C2NCCC2=C1 SPC-g235 [1,0,0,1,0,0|2,0,0]=4 233 B12R2.18 CN1C(=O)CC2=C1C=NC=C2 SPC-v372 [0,0,0,1,0,1|2,0,0]=4 234 B12R2.18 CN1C(=O)CC2=C1N=CC=C2 SPC-k509 [0,0,0,1,0,1|2,0,0]=4 235 B12R2.18 C[C@@H]1C(=O)NC2=C1C=CC=N2 SPC-h517 [0,0,0,1,0,1|1,0,0]=3 236 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 SPC-i073 [0,0,0,1,0,1|0,0,0]=2 237 B12R2.24 O=C1C=C2C=CC=CC2=CN1 SPC-m478 [0,0,0,1,0,1|1,0,1]=4 238 B12R2.24 O=C1CCC2=C(C=CN=C2)N1 SPC-n926 [0,0,0,1,0,1|1,0,0]=3 239 B12R2.24 O=C1CCC2=CC=CN=C2N1 SPC-m477 [0,0,0,1,0,1|1,0,0]=3 240 B12R2.116 CC1(C2=CC=CC=C2)COC1 SPC-a281 [0,1,0,1,0,0|1,0,1]=4 241 B12R2.116 NC1(C2=CC=CC=C2)COC1 SPC-a131 [0,1,0,1,0,0|1,0,1]=4 242 B12R2.116 NC1(C2=CC=CC=C2)COC1 SPC-u870 [0,1,0,1,0,0|1,0,1]=4 243 B12R2.116 OC1(C2=CC=CC=C2)CNC1 SPC-i011 [0,1,0,1,0,0|0,0,2]=4 244 B12R2.116 OC1(C2=CC=CC=C2)COC1 SPC-a052 [0,1,0,1,0,0|0,0,2]=4 245 B12R2.116 OC1(C2=CC=CC=C2)CSC1 SPC-a108 [0,1,0,1,0,0|0,0,2]=4 246 B12R2.1 OCC1=C2C=CC=CC2=NN1 SPC-h764 [0,1,0,1,0,0|2,0,0]=4 247 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 SPC-t392 [0,1,0,1,0,0|1,0,1]=4 248 B12R2.2 C1=CC=C([C@@H]2CCCO2)C=C1 SPC-k321 [0,1,0,1,0,0|0,0,2]=4 249 B12R2.2 C1=CC=C([C@@H]2CCNC2)C=C1 SPC-n765 [0,1,0,1,0,0|1,0,1]=4 250 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 SPC-n080 [0,1,0,1,0,0|1,0,1]=4 251 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 SPC-t894 [0,1,0,1,0,0|1,0,1]=4 252 B12R2.22 NC1CC(C2=CC=CC=C2)C1 SPC-p419 [0,1,0,1,0,0|1,0,1]=4 253 B12R2.22 NC1CN(C2=CC=CC=C2)C1 SPC-q680 [0,1,0,1,0,0|2,0,0]=4 254 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 SPC-i812 [0,1,0,1,0,0|1,0,1]=4 255 B12R2.22 OC1CN(C2=CC=CC=C2)C1 SPC-h977 [0,1,0,1,0,0|2,0,0]=4 256 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 SPC-j355 [0,1,0,1,0,0|1,0,1]=4 257 B12R2.1081 O=C1CCCC2=C1C=CC=N2 SPC-h229 [0,1,0,1,0,0|1,0,0]=3 258 B12R2.1081 O=C1COCC2=C1C=CC=C2 SPC-j356 [0,1,0,1,0,0|0,0,0]=2 259 B12R2.1081 O=C1NCCC2=C1C=CC=C2 SPC-s102 [0,1,0,1,0,0|0,0,0]=2 260 B12R2.2028 CN1N=C(I)C2=C1C=CC=C2 SPC-n062 [0,1,0,1,0,0|2,0,0]=4 261 B12R2.612 NC1=CC2=C(C=C1)C(=O)NC2 SPC-h457 [0,1,0,1,0,0|1,0,0]=3 262 B12R2.612 O=C1COC2=C1C=CC(Br)=C2 SPC-u370 [0,1,0,1,0,0|1,0,0]=3 263 B12R2.612 O=C1NCC2=C1C=CC(Br)=C2 SPC-q927 [0,1,0,1,0,0|1,0,0]=3 264 B12R2.612 O=C1OCC2=C1C=CC(Br)=C2 SPC-q956 [0,1,0,1,0,0|1,0,0]=3 265 B12R2.132 NC1=CC2=C(C=C1)CNC2=O SPC-h313 [0,1,0,1,0,0|1,0,0]=3 266 B12R2.132 N[C@@H]1CCC2=C1C=C(O)C=C2 SPC-n746 [0,1,0,1,0,0|1,0,1]=4 267 B12R2.132 O=C1CCC2=C1C=C(Br)C=C2 SPC-g292 [0,1,0,1,0,0|0,0,0]=2 268 B12R2.132 O=C1CCC2=C1C=C(Cl)C=C2 SPC-g641 [0,1,0,1,0,0|0,0,0]=2 269 B12R2.132 O=C1NCC2=C1C=C(Br)C=C2 SPC-p765 [0,1,0,1,0,0|1,0,0]=3 270 B12R2.132 O=C1NCC2=C1C=C(F)C=C2 SPC-s397 [0,1,0,1,0,0|1,0,0]=3 271 B12R2.132 O=C1OCC2=C1C=C(I)C=C2 SPC-p810 [0,1,0,1,0,0|1,0,0]=3 272 B12R2.196 NC1=CC=CC2=C1CNC2=O SPC-h606 [0,1,0,1,0,0|1,0,0]=3 273 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 SPC-q591 [0,1,0,1,0,0|1,0,1]=4 274 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 SPC-g231 [0,1,0,1,0,0|0,0,0]=2 275 B12R2.196 O=C1CCC2=C(Cl)C=CC=C12 SPC-g553 [0,1,0,1,0,0|0,0,0]=2 276 B12R2.196 O=C1COC2=C(Br)C=CC=C12 SPC-s411 [0,1,0,1,0,0|1,0,0]=3 277 B12R2.203 NC1=C2C(=O)NCC2=CC=C1 SPC-m084 [0,1,0,1,0,0|1,0,0]=3 278 B8R1.7 CC(=O)C1=CNN=C1 SPC-h422 [1,0,0,0,1,0|2,0,0]=4 279 B8R1.7 CC(=O)C1=CSC=C1 SPC-g143 [1,0,0,0,1,0|1,0,0]=3 280 B8R1.7 O=C(O)C1=CC=CN1 SPC-g146 [1,0,0,0,1,0|2,0,0]=4 281 B8R1.7 O=C(O)C1=COC=C1 SPC-n400 [1,0,0,0,1,0|2,0,0]=4