0 B7R1.1 C(=O)C1=CC=NN1 B039168 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.1 CCN1C=CC=N1 B006762 [0,0,0,0,0,0|3,0,1]=4 2 B7R1.1 ClCC1=CC=NO1 B049837 [0,0,0,0,0,0|2,0,1]=3 3 B7R1.1 ClCC1=CN=CS1 B059804 [0,0,0,0,0,0|2,1,1]=4 4 B7R1.1 ClCC1=CSC=N1 B039433 [0,0,0,0,0,0|3,0,1]=4 5 B7R1.1 ClCC1=NOC=C1 B049730 [0,0,0,0,0,0|3,0,1]=4 6 B7R1.1 N#CC1=NNC=C1 B047221 [0,0,0,0,0,0|3,0,1]=4 7 B7R1.1 NCC1=CN=CS1 B059797 [0,0,0,0,0,0|2,1,1]=4 8 B7R1.1 NCC1=NC=CS1 B059667 [0,0,0,0,0,0|2,1,1]=4 9 B7R1.1 NCC1=NNC=C1 B014395 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.1 O=CC1=CNN=C1 B015969 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.1 O=CC1=CNN=C1 B039241 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.1 O=CC1=NC=CS1 B046187 [0,0,0,0,0,0|1,1,0]=2 13 B7R1.1 OCC1=NNC=C1 B047364 [0,0,0,0,0,0|2,0,2]=4 14 B6R1.2 BrC1=NNC=C1 B050964 [1,0,0,0,0,0|3,0,0]=4 15 B6R1.2 CC1=NNC=C1 B022230 [1,0,0,0,0,0|2,0,1]=4 16 B6R1.2 CN1C=CC=N1 B006761 [1,0,0,0,0,0|2,0,1]=4 17 B6R1.2 FC1=CC=CS1 B039753 [1,0,0,0,0,0|1,1,0]=3 18 B6R1.2 IC1=NNC=C1 B050979 [1,0,0,0,0,0|3,0,0]=4 19 B6R1.2 NC1=NNC=C1 B007331 [1,0,0,0,0,0|3,0,0]=4 20 B6R1.2 NC1=NNC=C1 B037276 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.1 C#CC1=CC=C(F)S1 B052545 [0,1,0,0,0,0|1,1,1]=4 22 B8R1.1 C(=O)C1=CC=C(F)S1 B039130 [0,1,0,0,0,0|0,1,0]=2 23 B8R1.1 CC1=CC=C(C=O)S1 B015983 [0,1,0,0,0,0|0,1,0]=2 24 B8R1.1 CC1=CC=C(CN)S1 B030516 [0,1,0,0,0,0|1,1,1]=4 25 B8R1.1 CC1=NNC(C=O)=C1 B014001 [0,1,0,0,0,0|2,0,0]=3 26 B8R1.1 CC1=NOC(C#N)=C1 B046396 [0,1,0,0,0,0|2,0,1]=4 27 B8R1.1 CC1=NOC(CN)=C1 B038372 [0,1,0,0,0,0|2,0,1]=4 28 B8R1.1 CC1=NOC(CN)=C1 B039279 [0,1,0,0,0,0|2,0,1]=4 29 B8R1.1 CC1=NOC(CO)=C1 B037452 [0,1,0,0,0,0|1,0,2]=4 30 B8R1.1 CCC1=CC(Br)=CS1 B046186 [0,1,0,0,0,0|1,1,1]=4 31 B8R1.1 CN1C=C(C=O)C=N1 B000400 [0,1,0,0,0,0|3,0,0]=4 32 B8R1.1 CN1C=CC(C=O)=N1 B007390 [0,1,0,0,0,0|2,0,0]=3 33 B8R1.1 FC1=CC=C(CBr)S1 B058943 [0,1,0,0,0,0|1,1,1]=4 34 B8R1.1 FC1=CC=C(CCl)S1 B052448 [0,1,0,0,0,0|1,1,1]=4 35 B8R1.1 N#CC1=CC=C(Br)O1 B048731 [0,1,0,0,0,0|1,0,1]=3 36 B8R1.1 N#CC1=CC=C(F)S1 B051306 [0,1,0,0,0,0|1,1,1]=4 37 B8R1.1 NCC1=CC=C(F)S1 B052432 [0,1,0,0,0,0|1,1,1]=4 38 B8R1.1 O=CC1=CC=C(Cl)S1 B022480 [0,1,0,0,0,0|0,1,0]=2 39 B8R1.1 O=CC1=CN=C(Cl)S1 B030507 [0,1,0,0,0,0|1,1,0]=3 40 B8R1.1 O=CC1=CSC(Br)=C1 B059806 [0,1,0,0,0,0|2,0,0]=3 41 B8R1.1 OCC1=CC=C(F)S1 B046290 [0,1,0,0,0,0|0,1,2]=4 42 B8R1.7 CC(N)C1=CC=CS1 B030506 [0,1,0,0,0,0|1,1,1]=4 43 B8R1.7 NC(=O)C1=CNN=C1 B037919 [0,1,0,0,0,0|3,0,0]=4 44 B8R1.7 NC(=O)C1=NNC=C1 B039302 [0,1,0,0,0,0|2,0,0]=3 45 B8R1.7 O=C(Cl)C1=CNN=C1 B047520 [0,1,0,0,0,0|3,0,0]=4 46 B8R1.7 O=C(O)C1=CC=NS1 B049203 [0,1,0,0,0,0|1,1,0]=3 47 B8R1.7 O=C(O)C1=CNN=C1 B015883 [0,1,0,0,0,0|3,0,0]=4 48 B8R1.7 O=C(O)C1=NNC=C1 B000140 [0,1,0,0,0,0|2,0,0]=3 49 B8R1.7 O=C(O)C1=NNC=N1 B048959 [0,1,0,0,0,0|3,0,0]=4 50 B8R1.7 O=C(O)C1=NON=C1 B050168 [0,1,0,0,0,0|3,0,0]=4 51 B8R1.7 O=C(O)C1=NSN=C1 B049226 [0,1,0,0,0,0|3,0,0]=4 52 B8R1.7 O=[N+]([O-])C1=NNC=C1 B006760 [0,1,0,0,0,0|3,0,0]=4 53 B8R1.8 CCCC1=CC=CS1 B046363 [0,1,0,0,0,0|1,1,1]=4 54 B8R1.8 NCCC1=CC=CO1 B029933 [0,1,0,0,0,0|1,0,1]=3 55 B8R1.8 NCCC1=CC=CO1 B049455 [0,1,0,0,0,0|1,0,1]=3 56 B8R1.11 C(=O)C1=C(C)C=NN1 B039268 [0,1,0,0,0,0|2,0,0]=3 57 B8R1.11 C(=O)C1=NC=NN1C B052001 [0,1,0,0,0,0|3,0,0]=4 58 B8R1.11 CC1=C(C=O)C=NN1 B034879 [0,1,0,0,0,0|3,0,0]=4 59 B8R1.11 CC1=C(C=O)C=NN1 B047429 [0,1,0,0,0,0|3,0,0]=4 60 B8R1.11 CN1C=CN=C1C=O B038490 [0,1,0,0,0,0|2,0,0]=3 61 B8R1.11 CN1N=CC=C1C=O B007393 [0,1,0,0,0,0|2,0,0]=3 62 B8R1.11 O=CC1=C(Cl)C=NN1 B039275 [0,1,0,0,0,0|2,0,0]=3 63 B8R1.2 NCC1=NC=CN=C1 B050555 [0,0,0,0,0,1|2,0,1]=4 64 B7R1.2 CC1=NOC(N)=C1 B030049 [1,1,0,0,0,0|2,0,0]=4 65 B7R1.2 FC1=CC=C(Br)S1 B052433 [1,1,0,0,0,0|1,1,0]=4 66 B7R1.2 FC1=CC=C(I)S1 B052477 [1,1,0,0,0,0|1,1,0]=4 67 B9R1.6 NC(=S)C1=CC=CN=C1 B028584 [0,1,0,0,0,1|1,1,0]=4 68 B9R1.15 NC1=C(C=O)C=NC=C1 B050347 [0,1,0,0,0,1|1,0,0]=3 69 B9R1.15 NC1=NC=CC=C1C=O B049085 [0,1,0,0,0,1|1,0,0]=3 70 B9R1.7 O\N=C\C1=CC=C(F)S1 B046225 [0,2,0,0,0,0|0,1,1]=4 71 B9R1.21 C(=O)C1=CC(CC)=NO1 B046284 [0,2,0,0,0,0|1,0,0]=3 72 B9R1.21 CCC1=CC=C(C=O)S1 B003568 [0,2,0,0,0,0|0,1,0]=3 73 B9R1.21 CCN1C=CC(C=O)=N1 B007396 [0,2,0,0,0,0|2,0,0]=4 74 B9R1.21 COC1=NC=C(C=O)S1 B059779 [0,2,0,0,0,0|1,1,0]=4 75 B9R1.22 CC1=CC(C=O)=C(C)S1 B018517 [0,2,0,0,0,0|2,0,0]=4 76 B9R1.22 CC1=CN(C)C(C=O)=N1 B047108 [0,2,0,0,0,0|2,0,0]=4 77 B9R1.22 CC1=CN(C)N=C1C=O B047533 [0,2,0,0,0,0|2,0,0]=4 78 B9R1.22 CC1=NN(C)C(C=O)=C1 B015985 [0,2,0,0,0,0|2,0,0]=4 79 B9R1.22 CN1C=C(Br)C(C=O)=N1 B007392 [0,2,0,0,0,0|2,0,0]=4 80 B9R1.22 CN1C=C(Cl)C(C=O)=N1 B007391 [0,2,0,0,0,0|2,0,0]=4 81 B9R1.22 CN1C=C(I)C(C=O)=N1 B060739 [0,2,0,0,0,0|2,0,0]=4 82 B9R1.23 CC1=C(Br)C=C(C=O)S1 B003571 [0,2,0,0,0,0|0,1,0]=3 83 B9R1.23 CC1=CC(C=O)=NN1C B015981 [0,2,0,0,0,0|2,0,0]=4 84 B9R1.23 O=CC1=CC(Br)=C(Br)S1 B006821 [0,2,0,0,0,0|0,1,0]=3 85 B9R1.35 CC(=O)C1=CC(Br)=CS1 B020506 [0,2,0,0,0,0|0,1,0]=3 86 B9R1.35 CC(=O)C1=CC=C(F)S1 B046183 [0,2,0,0,0,0|0,1,0]=3 87 B9R1.35 CC(=O)C1=CSC(C)=N1 B059741 [0,2,0,0,0,0|2,0,0]=4 88 B9R1.35 CC(=O)C1=NN(C)C=C1 B017804 [0,2,0,0,0,0|2,0,0]=4 89 B9R1.35 CC1=CC(C(=O)O)=CS1 B007488 [0,2,0,0,0,0|2,0,0]=4 90 B9R1.35 CC1=CC(C(=O)O)=NN1 B000144 [0,2,0,0,0,0|2,0,0]=4 91 B9R1.35 CC1=CC(C(=O)O)=NO1 B007473 [0,2,0,0,0,0|2,0,0]=4 92 B9R1.35 CC1=NOC(C(=O)O)=C1 B028540 [0,2,0,0,0,0|1,0,0]=3 93 B9R1.35 CN1C=CC(C(=O)Cl)=N1 B006627 [0,2,0,0,0,0|2,0,0]=4 94 B9R1.35 CN1C=CC(C(=O)O)=N1 B000139 [0,2,0,0,0,0|2,0,0]=4 95 B9R1.35 CN1C=CC(C(N)=O)=N1 B047067 [0,2,0,0,0,0|2,0,0]=4 96 B9R1.35 CN1C=NC(C(=O)O)=C1 B049879 [0,2,0,0,0,0|2,0,0]=4 97 B9R1.35 NC(=O)C1=CC=C(F)S1 B051305 [0,2,0,0,0,0|0,1,0]=3 98 B9R1.35 NC(=O)C1=NNC(N)=C1 B046261 [0,2,0,0,0,0|2,0,0]=4 99 B9R1.35 NC1=NNC(C(=O)O)=C1 B007338 [0,2,0,0,0,0|2,0,0]=4 100 B9R1.35 NC1=NNC(C(=O)O)=C1 B015878 [0,2,0,0,0,0|2,0,0]=4 101 B9R1.35 O=C(Cl)C1=CC=C(F)S1 B051304 [0,2,0,0,0,0|0,1,0]=3 102 B9R1.35 O=C(O)C1=CC(Br)=CS1 B013954 [0,2,0,0,0,0|0,1,0]=3 103 B9R1.35 O=C(O)C1=CC=C(F)S1 B029946 [0,2,0,0,0,0|0,1,0]=3 104 B9R1.35 O=C1C=C(C(=O)O)NN1 B050600 [0,2,0,0,0,0|2,0,0]=4 105 B9R1.35 O=[N+]([O-])C1=CC=C(F)S1 B047233 [0,2,0,0,0,0|1,1,0]=4 106 B9R1.132 CC1=CN=C(C=O)N1C B047107 [0,2,0,0,0,0|2,0,0]=4 107 B9R1.11 CCC(=O)C1=NC=CS1 B059780 [0,2,0,0,0,0|1,1,0]=4 108 B9R1.11 CNC(=O)C1=NNC=C1 B047463 [0,2,0,0,0,0|2,0,0]=4 109 B9R1.11 COC(=O)C1=CC=CN1 B049814 [0,2,0,0,0,0|1,0,0]=3 110 B9R1.11 COC(=O)C1=CC=NN1 B016176 [0,2,0,0,0,0|2,0,0]=4 111 B9R1.11 COC(=O)C1=CC=NO1 B038949 [0,2,0,0,0,0|1,0,0]=3 112 B9R1.11 C\C(=N/O)C1=CC=CO1 B006531 [0,2,0,0,0,0|0,0,1]=3 113 B9R1.11 NNC(=O)C1=NNC=C1 B015431 [0,2,0,0,0,0|2,0,0]=4 114 B9R1.41 CC(=O)C1=CC=NN1C B017805 [0,2,0,0,0,0|2,0,0]=4 115 B9R1.41 CN1N=CC=C1C(=O)Cl B006621 [0,2,0,0,0,0|2,0,0]=4 116 B9R1.41 CN1N=CC=C1C(=O)O B000141 [0,2,0,0,0,0|2,0,0]=4 117 B9R1.41 CN1N=CC=C1C(N)=O B020779 [0,2,0,0,0,0|2,0,0]=4 118 B9R1.41 NC(=O)C1=C(N)SC=C1 B014696 [0,2,0,0,0,0|2,0,0]=4 119 B9R1.41 NC(=O)C1=NNC=C1I B047693 [0,2,0,0,0,0|2,0,0]=4 120 B9R1.41 NC(=O)C1=NNC=C1N B047093 [0,2,0,0,0,0|2,0,0]=4 121 B9R1.41 NC(=O)C1=NNC=C1N B047294 [0,2,0,0,0,0|2,0,0]=4 122 B9R1.41 NC(=O)C1=NSC=C1N B050218 [0,2,0,0,0,0|2,0,0]=4 123 B9R1.41 NC1=CNN=C1C(=O)O B036422 [0,2,0,0,0,0|2,0,0]=4 124 B9R1.41 NC1=CNN=C1C(=O)O B047686 [0,2,0,0,0,0|2,0,0]=4 125 B9R1.41 NC1=CSN=C1C(=O)O B049586 [0,2,0,0,0,0|2,0,0]=4 126 B9R1.41 O=C(Cl)C1=NNC=C1Br B011870 [0,2,0,0,0,0|2,0,0]=4 127 B9R1.41 O=C(Cl)C1=NNC=C1Cl B011488 [0,2,0,0,0,0|2,0,0]=4 128 B9R1.41 O=C(O)C1=NNC=C1Br B006501 [0,2,0,0,0,0|2,0,0]=4 129 B9R1.41 O=C(O)C1=NNC=C1Cl B000131 [0,2,0,0,0,0|2,0,0]=4 130 B9R1.41 O=C(O)C1=NNC=C1I B006484 [0,2,0,0,0,0|2,0,0]=4 131 B9R1.13 CC(=O)CN1C=CC=N1 B021105 [0,2,0,0,0,0|2,0,0]=4 132 B9R1.13 CC(N)CC1=CC=CO1 B030489 [0,2,0,0,0,0|1,0,1]=4 133 B9R1.13 O=C(O)CN1C=CC=N1 B030032 [0,2,0,0,0,0|2,0,0]=4 134 B9R1.14 CCN1C=CN=C1C=O B046407 [0,2,0,0,0,0|2,0,0]=4 135 B9R1.14 CCN1N=CC=C1C=O B007399 [0,2,0,0,0,0|2,0,0]=4 136 B9R1.27 CC1=C(C=O)N(C)N=C1 B046156 [0,2,0,0,0,0|2,0,0]=4 137 B9R1.27 CN1N=CC(Br)=C1C=O B007395 [0,2,0,0,0,0|2,0,0]=4 138 B9R1.27 CN1N=CC(Cl)=C1C=O B007394 [0,2,0,0,0,0|2,0,0]=4 139 B9R1.27 CN1N=CC(I)=C1C=O B060766 [0,2,0,0,0,0|2,0,0]=4