0 B9R1.6 CC(N)C1=CC=NC=C1 B006179 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.6 NC(=S)C1=CC=CN=C1 B028584 [0,0,0,0,0,0|2,1,0]=3 2 B10R1.13 O=C(O)C1=CC=C(O)N=C1 B049653 [0,1,0,0,0,0|1,0,0]=2 3 B10R1.15 C#CC(=O)C1=CC=CC=C1 B048976 [0,1,0,0,0,0|1,0,0]=2 4 B10R1.15 CCC(N)C1=CC=CC=C1 B006605 [0,1,0,0,0,0|2,0,1]=4 5 B10R1.15 C\C(=N/O)C1=CC=NC=C1 B006530 [0,1,0,0,0,0|2,0,0]=3 6 B10R1.15 N\C(=N/O)C1=CC=CC=C1 B020566 [0,1,0,0,0,0|1,0,0]=2 7 B10R1.15 N\C(=N/O)C1=CC=NC=C1 B030084 [0,1,0,0,0,0|2,0,0]=3 8 B10R1.15 N\C(=N/O)C1=CN=CC=C1 B030080 [0,1,0,0,0,0|2,0,0]=3 9 B10R1.15 N\C(=N/O)C1=NC=CC=C1 B030083 [0,1,0,0,0,0|2,0,0]=3 10 B10R1.61 NC1=C(C(=O)O)C=NC=N1 B050277 [0,1,0,0,0,0|2,0,0]=3 11 B10R1.61 NC1=C([N+](=O)[O-])C=NC=C1 B050310 [0,1,0,0,0,0|2,0,1]=4 12 B10R1.61 O=C(O)C1=CC=NC=C1Br B050303 [0,1,0,0,0,0|1,0,0]=2 13 B10R1.61 O=C1NC=CC=C1[N+](=O)[O-] B048851 [0,1,0,0,0,0|2,0,1]=4 14 B10R1.61 O=[N+]([O-])C1=C(Br)C=CC=N1 B050415 [0,1,0,0,0,0|2,0,1]=4 15 B10R1.61 O=[N+]([O-])C1=CC=CN=C1O B050312 [0,1,0,0,0,0|2,0,1]=4 16 B8R1.7 NC(=O)C1=CNN=C1 B037919 [0,0,0,0,1,0|3,0,0]=4 17 B8R1.7 NC(=O)C1=NNC=C1 B039302 [0,0,0,0,1,0|3,0,0]=4 18 B8R1.7 O=C(Cl)C1=CNN=C1 B047520 [0,0,0,0,1,0|3,0,0]=4 19 B8R1.7 O=C(O)C1=CC=NS1 B049203 [0,0,0,0,1,0|2,0,0]=3 20 B8R1.7 O=C(O)C1=CNN=C1 B015883 [0,0,0,0,1,0|2,0,0]=3 21 B8R1.7 O=C(O)C1=NNC=C1 B000140 [0,0,0,0,1,0|2,0,0]=3 22 B8R1.7 O=C(O)C1=NNC=N1 B048959 [0,0,0,0,1,0|3,0,0]=4 23 B8R1.7 O=C(O)C1=NON=C1 B050168 [0,0,0,0,1,0|3,0,0]=4 24 B8R1.7 O=C(O)C1=NSN=C1 B049226 [0,0,0,0,1,0|3,0,0]=4 25 B10R1.18 NC(=S)CC1=CC=CC=C1 B039022 [0,0,0,0,0,1|1,1,0]=3 26 B9R1.1 NCC1=CC=C(N)C=C1 B049905 [1,1,0,0,0,0|1,0,1]=4 27 B9R1.1 NCC1=CC=C(O)C=C1 B039583 [1,1,0,0,0,0|1,0,1]=4 28 B9R1.2 NC1=NC=CC(CO)=C1 B039501 [1,1,0,0,0,0|1,0,1]=4 29 B9R1.8 NOCC1=CC=CC=C1 B022277 [1,1,0,0,0,0|0,0,1]=3 30 B9R1.15 NC1=C(C=O)C=NC=C1 B050347 [1,1,0,0,0,0|1,0,0]=3 31 B9R1.15 NC1=NC=CC=C1C=O B049085 [1,1,0,0,0,0|1,0,0]=3 32 B9R1.11 COC(=O)C1=CC=CN1 B049814 [0,1,0,0,1,0|1,0,0]=3 33 B9R1.11 COC(=O)C1=CC=NN1 B016176 [0,1,0,0,1,0|2,0,0]=4 34 B9R1.11 COC(=O)C1=CC=NO1 B038949 [0,1,0,0,1,0|2,0,0]=4 35 B9R1.11 COC(=O)C1=CNN=C1 B030267 [0,1,0,0,1,0|2,0,0]=4 36 B9R1.11 C\C(=N/O)C1=CC=CO1 B006531 [0,1,0,0,1,0|2,0,0]=4 37 B9R1.35 CC(=O)C1=CC(Br)=CS1 B020506 [0,1,0,0,1,0|2,0,0]=4 38 B9R1.35 CC(=O)C1=CC=C(F)S1 B046183 [0,1,0,0,1,0|2,0,0]=4 39 B9R1.35 CC1=CC(C(=O)O)=CS1 B007488 [0,1,0,0,1,0|1,0,0]=3 40 B9R1.35 CC1=CC(C(=O)O)=NN1 B000144 [0,1,0,0,1,0|2,0,0]=4 41 B9R1.35 CC1=CC(C(=O)O)=NO1 B007473 [0,1,0,0,1,0|2,0,0]=4 42 B9R1.35 CC1=NOC(C(=O)O)=C1 B028540 [0,1,0,0,1,0|2,0,0]=4 43 B9R1.35 CN1C=C(C(=O)O)C=N1 B000227 [0,1,0,0,1,0|2,0,0]=4 44 B9R1.35 CN1C=CC(C(=O)O)=N1 B000139 [0,1,0,0,1,0|2,0,0]=4 45 B9R1.35 CN1C=NC(C(=O)O)=C1 B049879 [0,1,0,0,1,0|2,0,0]=4 46 B9R1.35 NC(=O)C1=CC=C(F)S1 B051305 [0,1,0,0,1,0|2,0,0]=4 47 B9R1.35 NC1=NNC(C(=O)O)=C1 B007338 [0,1,0,0,1,0|2,0,0]=4 48 B9R1.35 NC1=NNC(C(=O)O)=C1 B015878 [0,1,0,0,1,0|2,0,0]=4 49 B9R1.35 O=C(Cl)C1=CC=C(F)S1 B051304 [0,1,0,0,1,0|2,0,0]=4 50 B9R1.35 O=C(O)C1=CC(Br)=CS1 B013954 [0,1,0,0,1,0|1,0,0]=3 51 B9R1.35 O=C(O)C1=CC=C(F)S1 B029946 [0,1,0,0,1,0|1,0,0]=3 52 B9R1.35 O=C1C=C(C(=O)O)NN1 B050600 [0,1,0,0,1,0|2,0,0]=4 53 B9R1.41 CN1N=CC=C1C(=O)O B000141 [0,1,0,0,1,0|2,0,0]=4 54 B9R1.41 NC(=O)C1=C(N)SC=C1 B014696 [0,1,0,0,1,0|2,0,0]=4 55 B9R1.41 NC1=CNN=C1C(=O)O B036422 [0,1,0,0,1,0|2,0,0]=4 56 B9R1.41 NC1=CNN=C1C(=O)O B047686 [0,1,0,0,1,0|2,0,0]=4 57 B9R1.41 NC1=CSN=C1C(=O)O B049586 [0,1,0,0,1,0|2,0,0]=4 58 B9R1.41 NC1=NNC=C1C(=O)O B007340 [0,1,0,0,1,0|2,0,0]=4 59 B9R1.41 O=C(O)C1=NNC=C1Br B006501 [0,1,0,0,1,0|2,0,0]=4 60 B9R1.41 O=C(O)C1=NNC=C1Cl B000131 [0,1,0,0,1,0|2,0,0]=4 61 B9R1.41 O=C(O)C1=NNC=C1I B006484 [0,1,0,0,1,0|2,0,0]=4 62 B11R1.86 NC(=O)NC1=CC=CC=C1Cl B028823 [0,1,0,0,0,1|1,0,0]=3 63 B11R1.157 CC(=O)CC1=CC(C)=CC=N1 B037032 [0,1,0,0,0,1|2,0,0]=4 64 B11R1.3 COC1=NC=C(C(=O)O)C=C1 B049007 [0,2,0,0,0,0|1,0,0]=3 65 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 B039656 [0,2,0,0,0,0|1,0,0]=3 66 B11R1.21 CN1C=C(C(=O)O)C=CC1=O B039490 [0,2,0,0,0,0|1,0,0]=3 67 B11R1.22 CC1=CC=C(\C(N)=N\O)C=C1 B022751 [0,2,0,0,0,0|1,0,0]=3 68 B11R1.22 COC(=O)C1=NC=C(O)N=C1 B050274 [0,2,0,0,0,0|2,0,0]=4 69 B11R1.22 N\C(=N/O)C1=CC=C(Cl)C=C1 B022963 [0,2,0,0,0,0|1,0,0]=3 70 B11R1.22 N\C(=N\O)C1=CC=C(F)C=C1 B030589 [0,2,0,0,0,0|1,0,0]=3 71 B11R1.7 C#CC(C)(O)C1=CC=CC=C1 B048575 [0,2,0,0,0,0|1,0,1]=4 72 B11R1.12 O=C\C(=C/O)C1=CC=NC=C1 B049610 [0,2,0,0,0,0|1,0,0]=3 73 B11R1.16 CC(N=C=O)C1=CC=CC=C1 B028614 [0,2,0,0,0,0|1,0,1]=4 74 B11R1.16 OC(C#CBr)C1=CC=CC=C1 B049488 [0,2,0,0,0,0|1,0,1]=4 75 B11R1.222 COC(=O)C1=CC=CN=C1S B047304 [0,2,0,0,0,0|1,0,0]=3 76 B11R1.222 NNC(=O)C1=CC=CC=C1N B015275 [0,2,0,0,0,0|1,0,0]=3 77 B11R1.222 N\C(=N/O)C1=CC=CC=C1F B034860 [0,2,0,0,0,0|1,0,0]=3 78 B11R1.222 N\C(=N/O)C1=CC=CN=C1Cl B050332 [0,2,0,0,0,0|2,0,0]=4 79 B11R1.53 NCC1=CC=CC=C1C(=O)O B049870 [0,2,0,0,0,0|0,0,0]=2 80 B11R1.53 O=C(O)C1=C(CBr)C=CC=C1 B019566 [0,2,0,0,0,0|0,0,0]=2 81 B11R1.156 NC1=C(C(=O)O)C(Cl)=CC=C1 B048630 [0,2,0,0,0,0|0,0,0]=2 82 B11R1.159 CC1=C(C(N)=O)C=CC=C1N B050747 [0,2,0,0,0,0|1,0,0]=3 83 B11R1.159 NC1=C(O)C(C(=O)O)=CC=C1 B048728 [0,2,0,0,0,0|0,0,0]=2 84 B11R1.159 NC1=CC=CC(C(=O)O)=C1N B050432 [0,2,0,0,0,0|0,0,0]=2 85 B11R1.74 NC1=CC(O)=CC([N+](=O)[O-])=C1 B007058 [0,2,0,0,0,0|1,0,1]=4 86 B11R1.74 O=C(O)C1=CC(O)=NC(O)=C1 B049542 [0,2,0,0,0,0|1,0,0]=3 87 B11R1.74 O=C1C=C(C(=O)O)NC(=S)N1 B049632 [0,2,0,0,0,0|2,0,0]=4 88 B11R1.266 O=C(O)C1=CC(CBr)=CC=C1 B019567 [0,2,0,0,0,0|0,0,0]=2 89 B11R2.10 ClC1=NC2=CC=CC=C2N1 B028974 [0,0,0,1,0,1|2,0,0]=4 90 B11R2.10 NC1=NC2=CC=CC=C2O1 B039652 [0,0,0,1,0,1|1,0,0]=3 91 B11R2.1 NC1=NNC2=C1C=CC=C2 B047143 [0,1,0,1,0,0|2,0,0]=4 92 B11R2.1 OC1=NNC2=C1C=CC=N2 B058963 [0,1,0,1,0,0|2,0,0]=4 93 B7R1.1 C(=O)C1=CC=NN1 B039168 [1,0,0,0,1,0|2,0,0]=4 94 B7R1.1 O=CC1=CNN=C1 B015969 [1,0,0,0,1,0|2,0,0]=4 95 B7R1.1 O=CC1=CNN=C1 B039241 [1,0,0,0,1,0|2,0,0]=4 96 B7R1.1 O=CC1=NC=CS1 B046187 [1,0,0,0,1,0|2,0,0]=4 97 B11R1.91 O=C(O)CCC1=NC=CC=C1 B039507 [0,0,0,0,0,2|1,0,0]=3 98 B11R1.91 O=C(O)CNC1=CC=CC=C1 B003332 [0,0,0,0,0,2|0,0,0]=2 99 B11R1.91 O=C(O)CSC1=NC=CC=C1 B003349 [0,0,0,0,0,2|1,0,0]=3