0 B10R1.15 CCC(N)C1=CC=CC=C1 c07353 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.15 NNC(=O)C1=CC=CC=C1 e00706 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.15 NNC(=O)C1=CC=NC=C1 c08623 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.6 CC(=O)C1=CC=CC=C1 c08846 [1,0,0,0,0,0|0,0,0]=1 4 B9R1.6 NC(=O)C1=CC=CC=C1 a03942 [1,0,0,0,0,0|1,0,0]=2 5 B9R1.6 NC(=S)C1=NC=CC=C1 a01427 [1,0,0,0,0,0|2,1,0]=4 6 B9R1.6 O=C(O)C1=CC=CC=C1 e00688 [1,0,0,0,0,0|0,0,0]=1 7 B9R1.6 OB(O)C1=CC=CC=C1 c00853 [1,0,0,0,0,0|1,0,1]=3 8 B9R1.8 C\C=C\C1=NC=CC=C1 a03932 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.8 O\N=C\C1=CC=CN=C1 c05004 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.12 CC\C(=N\O)C1=CC=CC=C1 c07299 [0,1,0,0,0,0|1,0,1]=3 11 B11R1.16 CCNC(C)C1=CC=CC=C1 a05379 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.22 CC1=CC=C(C(=O)NN)C=C1 e00712 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.22 CC1=CC=C(\C(C)=N\O)C=C1 m02696 [0,1,0,0,0,0|3,0,0]=4 14 B11R1.22 CCC(N)C1=CC=C(O)C=C1 c07399 [0,1,0,0,0,0|2,0,1]=4 15 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 c07252 [0,1,0,0,0,0|1,0,0]=2 16 B11R1.22 COC(=O)C1=CC=C(N)C=C1 c04948 [0,1,0,0,0,0|0,0,0]=1 17 B11R1.22 COC(=O)C1=CC=C(O)C=C1 e00879 [0,1,0,0,0,0|0,0,0]=1 18 B11R1.22 C\C(=N\O)C1=CC=C(Br)C=C1 a01486 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.22 NNC(=O)C1=CC=C(Cl)C=C1 e00711 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.22 NNC(=O)C1=CC=C(N)C=C1 M04886 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 a08341 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.23 CC1=CC(C(=O)NN)=CC=C1 e00709 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.23 CNC(=O)C1=CC(N)=CC=C1 c05440 [0,1,0,0,0,0|1,0,0]=2 24 B11R1.23 COC(=O)C1=CC(O)=CC=C1 c00871 [0,1,0,0,0,0|0,0,0]=1 25 B11R1.23 NNC(=O)C1=CC(I)=CC=C1 M01603 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.222 CC1=C(C(=O)NN)C=CC=C1 m08174 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.222 CNC(=O)C1=CC=CC=C1N c01847 [0,1,0,0,0,0|1,0,0]=2 28 B11R1.222 C\C(=N\O)C1=C(O)C=CC=C1 c06007 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.222 NNC(=O)C1=C(Cl)C=CC=C1 a03954 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.222 NNC(=O)C1=CC=CC=C1N c05360 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.222 N\C(=N\O)C1=C(Cl)C=CC=C1 c07584 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.11 NNC(=O)C1=CC=CO1 a06404 [0,0,0,0,1,0|3,0,0]=4 33 B9R1.11 NNC(=O)C1=CC=CS1 M05230 [0,0,0,0,1,0|3,0,0]=4 34 B11R1.40 CCC(=O)NC1=CC=CC=C1 a03951 [0,0,0,0,0,1|1,0,0]=2 35 B11R1.40 COC(=O)NC1=CC=CC=C1 e00869 [0,0,0,0,0,1|0,0,0]=1 36 B11R1.40 NNC(=O)CC1=CC=CC=C1 M06886 [0,0,0,0,0,1|2,0,0]=3 37 B11R1.40 NNC(=S)NC1=CC=CC=C1 m09227 [0,0,0,0,0,1|2,1,0]=4 38 B11R1.40 O=C(CBr)NC1=CC=CC=C1 c03076 [0,0,0,0,0,1|2,0,0]=3 39 B10R1.13 CC(N)C1=CC=C(O)C=C1 c07375 [1,1,0,0,0,0|1,0,1]=4 40 B10R1.13 CN(C)C1=CC=C(N)C=C1 c08318 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.13 O=[N+]([O-])C1=CC=C(I)C=C1 c08153 [1,1,0,0,0,0|1,0,1]=4 42 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 a09436 [1,1,0,0,0,0|0,0,0]=2 43 B10R1.61 O=C(O)C1=C(O)C=CC=C1 e00882 [1,1,0,0,0,0|0,0,0]=2 44 B10R1.61 O=[N+]([O-])C1=C(O)C=CC=C1 m07340 [1,1,0,0,0,0|1,0,1]=4 45 B10R1.113 CC(N)C1=CC(O)=CC=C1 c07637 [1,1,0,0,0,0|1,0,1]=4 46 B10R1.113 CC1=CC=CC(C(=O)O)=N1 c08168 [1,1,0,0,0,0|1,0,0]=3 47 B10R1.113 NC(=O)C1=CC(N)=CC=C1 c06082 [1,1,0,0,0,0|1,0,0]=3 48 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 c04283 [1,1,0,0,0,0|0,0,0]=2 49 B10R1.1 O\N=C\C1=CC=C(O)C=C1 c05010 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.4 O\N=C\C1=C(Cl)C=CC=C1 c04965 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.4 O\N=C\C1=CC=CC=C1O c04922 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.10 CCNC1=CC=CC(C)=C1 c01117 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.10 O\N=C\C1=CC(O)=CC=C1 c06021 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.18 CC(=O)NC1=CC=CC=C1 a03944 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.14 COC(=O)C1=CC=C(Br)O1 a03363 [0,1,0,0,1,0|1,0,0]=3 56 B10R1.23 CN(C)C(=O)C1=CC=CS1 c09222 [0,1,0,0,1,0|2,0,0]=4 57 B12R1.34 CN(C(=O)CBr)C1=CC=CC=C1 c03085 [0,1,0,0,0,1|2,0,0]=4 58 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 c08844 [0,1,0,0,0,1|1,0,0]=3 59 B12R1.49 CC1=CC=C(NC(=O)CBr)C=C1 c03111 [0,1,0,0,0,1|2,0,0]=4 60 B12R1.49 CCC(=O)NC1=CC=C(N)C=C1 c05262 [0,1,0,0,0,1|1,0,0]=3 61 B12R1.49 CCC(=O)NC1=CC=C(O)C=C1 c02629 [0,1,0,0,0,1|1,0,0]=3 62 B12R1.49 CNC(=O)CC1=CC=C(N)C=C1 c07615 [0,1,0,0,0,1|1,0,0]=3 63 B12R1.49 NNC(=O)CC1=CC=C(Cl)C=C1 a08692 [0,1,0,0,0,1|2,0,0]=4 64 B12R1.49 O=C(CBr)NC1=CC=C(F)C=C1 c03252 [0,1,0,0,0,1|2,0,0]=4 65 B12R1.50 CC1=CC(NC(=O)CBr)=CC=C1 c03083 [0,1,0,0,0,1|2,0,0]=4 66 B12R1.50 CCC(=O)NC1=CC=CC(N)=C1 c04930 [0,1,0,0,0,1|1,0,0]=3 67 B12R1.50 CCC(=O)NC1=CC=CC(O)=C1 c02408 [0,1,0,0,0,1|1,0,0]=3 68 B12R1.50 O=C(CBr)NC1=CC=CC(Cl)=C1 c03591 [0,1,0,0,0,1|2,0,0]=4 69 B12R1.371 CCC(=O)NC1=C(O)C=CC=C1 c00859 [0,1,0,0,0,1|1,0,0]=3 70 B12R1.371 O=C(CBr)NC1=CC=CC=C1F c03259 [0,1,0,0,0,1|2,0,0]=4 71 B12R1.12 CC\C(=N\O)C1=CC=C(O)C=C1 c06006 [0,2,0,0,0,0|1,0,1]=4 72 B12R1.16 CCNC(=O)C1=CC=C(Cl)C=C1 c04047 [0,2,0,0,0,0|1,0,0]=3 73 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 e00681 [0,2,0,0,0,0|0,0,0]=2 74 B12R1.17 CCNC(=O)C1=CC(N)=CC=C1 c05403 [0,2,0,0,0,0|1,0,0]=3 75 B12R1.17 CCOC(=O)C1=CC(O)=CC=C1 c03587 [0,2,0,0,0,0|0,0,0]=2 76 B12R1.30 CCCNC(=O)C1=CC=CC=C1 a07244 [0,2,0,0,0,0|1,0,0]=3 77 B12R1.30 N#CCNC(=O)C1=CC=CC=C1 a01828 [0,2,0,0,0,0|1,0,0]=3 78 B12R1.308 CCNC(=O)C1=C(Cl)C=CC=C1 c03926 [0,2,0,0,0,0|1,0,0]=3 79 B12R1.308 CCNC(=O)C1=CC=CC=C1N c07571 [0,2,0,0,0,0|1,0,0]=3 80 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 c02414 [0,2,0,0,0,0|0,0,0]=2 81 B12R1.5 COC1=CC=C(C(=O)NN)C=C1 M04941 [0,2,0,0,0,0|2,0,0]=4 82 B12R1.20 CC1=CC=C(C(=O)N(C)C)C=C1 c08843 [0,2,0,0,0,0|1,0,0]=3 83 B12R1.20 CN(C)C(=O)C1=CC=C(Cl)C=C1 c07748 [0,2,0,0,0,0|1,0,0]=3 84 B12R1.20 CN(C)C(=O)C1=CC=C(N)C=C1 c05422 [0,2,0,0,0,0|1,0,0]=3 85 B12R1.367 CC1=CC=C(C(=O)NN)C=C1Br a08108 [0,2,0,0,0,0|2,0,0]=4 86 B12R1.367 COC(=O)C1=CC=C(O)C(Br)=C1 c07405 [0,2,0,0,0,0|0,0,0]=2 87 B12R1.225 CC1=CC(C(=O)N(C)C)=CC=C1 c09232 [0,2,0,0,0,0|1,0,0]=3 88 B12R1.225 CN(C)C(=O)C1=CC=CC(Cl)=C1 c09224 [0,2,0,0,0,0|1,0,0]=3 89 B12R1.225 CN(C)C(=O)C1=CC=CC(N)=C1 c05386 [0,2,0,0,0,0|1,0,0]=3 90 B12R1.354 COC(=O)C1=CC(Br)=CC=C1O c01366 [0,2,0,0,0,0|0,0,0]=2 91 B12R1.354 COC(=O)C1=CC(Cl)=CC=C1O c07302 [0,2,0,0,0,0|0,0,0]=2 92 B12R1.124 CC1=C(C(=O)N(C)C)C=CC=C1 c09231 [0,2,0,0,0,0|1,0,0]=3 93 B12R1.124 CN(C)C(=O)C1=C(Cl)C=CC=C1 c09233 [0,2,0,0,0,0|1,0,0]=3 94 B12R1.124 CN(C)C(=O)C1=CC=CC=C1N a09372 [0,2,0,0,0,0|1,0,0]=3 95 B12R1.77 COC1=CC=CC=C1C(=O)NN a06405 [0,2,0,0,0,0|2,0,0]=4 96 B12R2.24 O=C1C=CC2=CC=CC=C2O1 c07899 [0,0,0,1,0,1|1,0,1]=4 97 B12R2.1081 O=C1N=NNC2=C1C=CC=C2 m08825 [0,1,0,1,0,0|2,0,0]=4 98 B12R2.2028 O=C1CC(=O)C2=CC=CC=C12 c08607 [0,1,0,1,0,0|1,0,1]=4 99 B12R1.27 COC(=O)NCC1=CC=CC=C1 c07841 [0,0,0,0,0,2|0,0,0]=2 100 B12R1.27 NNC(=O)COC1=CC=CC=C1 M01601 [0,0,0,0,0,2|2,0,0]=4 101 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 c03084 [0,0,0,0,0,2|2,0,0]=4