0 B10R1.18 O=C(O)CC1=CC=NC=C1 AM11048 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.18 O=C(O)CC1=NC=CC=C1 AM11047 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.8 N#CCC1=CC=CN=C1 AM10998 [1,0,0,0,0,0|2,0,1]=4 3 B9R1.8 N#CCC1=NC=CC=C1 AM10997 [1,0,0,0,0,0|2,0,1]=4 4 B9R1.8 NCCC1=CC=CN=C1 AM10957 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.8 NCCc1ccccn1 AM10956 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.20 CC(=O)NC1=CN=C(Br)C=C1 AM11256 [0,1,0,0,0,0|3,0,0]=4 7 B11R1.20 CC(=O)NC1=NC=C(F)C=C1 AM10518 [0,1,0,0,0,0|3,0,0]=4 8 B11R1.20 CC(=O)NC1=NC=C(I)C=C1 AM10824 [0,1,0,0,0,0|3,0,0]=4 9 B11R1.86 CC(=O)NC1=C(N)C=NC=C1 AM11187 [0,1,0,0,0,0|3,0,0]=4 10 B11R1.157 CC(=O)NC1=NC(Br)=CC=C1 AM10813 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.157 CC(=O)NC1=NC(C)=CC=C1 AM10814 [0,1,0,0,0,0|3,0,0]=4 12 B11R2.10 O=C1NC2=C(C=CC=N2)O1 AM10446 [0,0,0,1,0,0|2,0,0]=3 13 B9R1.6 CC(=O)C1=CC=CN=C1 AM10949 [0,0,0,0,1,0|2,0,0]=3 14 B9R1.6 CC(=O)C1=CC=NC=C1 AM10950 [0,0,0,0,1,0|2,0,0]=3 15 B9R1.6 CC(=O)C1=NC=CC=C1 AM10450 [0,0,0,0,1,0|2,0,0]=3 16 B9R1.6 O=C(Cl)C1=CN=CC=C1 AM10464 [0,0,0,0,1,0|2,0,0]=3 17 B9R1.6 O=C(O)C1=CC=CN=C1 AM11050 [0,0,0,0,1,0|1,0,0]=2 18 B9R1.6 O=C(O)C1=NC=CC=C1 AM11049 [0,0,0,0,1,0|1,0,0]=2 19 B9R1.6 O=[N+]([O-])C1=CC=CN=C1 AM10710 [0,0,0,0,1,0|2,0,1]=4 20 B8R1.2 OCC1=NC=CC=C1 AM11026 [2,0,0,0,0,0|1,0,0]=3 21 B10R1.13 CC(=O)C1=CC=C(Br)C=N1 AM10561 [0,1,0,0,1,0|2,0,0]=4 22 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 AM11101 [0,1,0,0,1,0|2,0,0]=4 23 B10R1.13 CC(=O)C1=CN=C(C)C=C1 AM10774 [0,1,0,0,1,0|2,0,0]=4 24 B10R1.13 CC(=O)C1=NC=C(C)C=C1 AM10819 [0,1,0,0,1,0|2,0,0]=4 25 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 AM10818 [0,1,0,0,1,0|2,0,0]=4 26 B10R1.13 CC1=CN=C(C(=O)O)C=C1 AM11347 [0,1,0,0,1,0|1,0,0]=3 27 B10R1.13 CC1=NC=C(C(N)=O)C=C1 AM10338 [0,1,0,0,1,0|2,0,0]=4 28 B10R1.13 NC(=O)C1=CN=C(Br)C=C1 AM11365 [0,1,0,0,1,0|2,0,0]=4 29 B10R1.13 NC(=O)C1=CN=C(Cl)C=C1 AM11375 [0,1,0,0,1,0|2,0,0]=4 30 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 AM10978 [0,1,0,0,1,0|2,0,0]=4 31 B10R1.13 NC(=O)C1=NC=C(N)C=C1 AM11545 [0,1,0,0,1,0|2,0,0]=4 32 B10R1.13 NC(=O)C1=NC=C(O)C=C1 AM11776 [0,1,0,0,1,0|2,0,0]=4 33 B10R1.13 NC1=CN=C(C(=O)O)C=C1 AM11266 [0,1,0,0,1,0|1,0,0]=3 34 B10R1.13 NC1=CN=C(C(=O)O)C=C1 AM11510 [0,1,0,0,1,0|1,0,0]=3 35 B10R1.13 NC1=NC=C(C(=O)O)C=C1 AM11360 [0,1,0,0,1,0|1,0,0]=3 36 B10R1.13 O=C(Cl)C1=CN=C(Cl)C=C1 AM11376 [0,1,0,0,1,0|2,0,0]=4 37 B10R1.13 O=C(O)C1=CC=C(Br)N=C1 AM10062 [0,1,0,0,1,0|1,0,0]=3 38 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 AM10442 [0,1,0,0,1,0|1,0,0]=3 39 B10R1.13 O=C(O)C1=CN=C(F)C=C1 AM10117 [0,1,0,0,1,0|1,0,0]=3 40 B10R1.13 O=C(O)C1=CN=C(O)C=C1 AM10755 [0,1,0,0,1,0|1,0,0]=3 41 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 AM10459 [0,1,0,0,1,0|1,0,0]=3 42 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 AM11322 [0,1,0,0,1,0|1,0,0]=3 43 B10R1.13 O=C(O)C1=NC=C(F)C=C1 AM11332 [0,1,0,0,1,0|1,0,0]=3 44 B10R1.13 O=C(O)C1=NC=C(O)C=C1 AM11340 [0,1,0,0,1,0|1,0,0]=3 45 B10R1.28 O=S(=O)(O)C1=CC=CN=C1 AM11052 [0,1,0,0,1,0|2,0,0]=4 46 B10R1.61 CC(=O)C1=CC=CN=C1Br AM11441 [0,1,0,0,1,0|2,0,0]=4 47 B10R1.61 CC(=O)C1=CC=CN=C1Cl AM11099 [0,1,0,0,1,0|2,0,0]=4 48 B10R1.61 CC(=O)C1=CC=CN=C1F AM11100 [0,1,0,0,1,0|2,0,0]=4 49 B10R1.61 CC(=O)C1=CC=CN=C1N AM10829 [0,1,0,0,1,0|2,0,0]=4 50 B10R1.61 CC(=O)C1=CC=CN=C1O AM11549 [0,1,0,0,1,0|2,0,0]=4 51 B10R1.61 CC(=O)C1=NC=CC=C1C AM11703 [0,1,0,0,1,0|2,0,0]=4 52 B10R1.61 CC(=O)C1=NC=CC=C1Cl AM10816 [0,1,0,0,1,0|2,0,0]=4 53 B10R1.61 CC(=O)C1=NC=CC=C1F AM10200 [0,1,0,0,1,0|2,0,0]=4 54 B10R1.61 CC(=O)C1=NC=CC=C1N AM11508 [0,1,0,0,1,0|2,0,0]=4 55 B10R1.61 CC(=O)C1=NC=CC=C1O AM10817 [0,1,0,0,1,0|2,0,0]=4 56 B10R1.61 CC1=C(C(=O)O)C=CN=C1 AM11181 [0,1,0,0,1,0|1,0,0]=3 57 B10R1.61 CC1=C(C(N)=O)C=CN=C1 AM11180 [0,1,0,0,1,0|2,0,0]=4 58 B10R1.61 CC1=CC=CN=C1C(=O)O AM11182 [0,1,0,0,1,0|1,0,0]=3 59 B10R1.61 CC1=CC=NC=C1C(=O)O AM10381 [0,1,0,0,1,0|1,0,0]=3 60 B10R1.61 NC(=O)C1=NC=CC=C1N AM11515 [0,1,0,0,1,0|2,0,0]=4 61 B10R1.61 NC1=C(C(=O)O)C=CC=N1 AM10826 [0,1,0,0,1,0|1,0,0]=3 62 B10R1.61 NC1=C(C(=O)O)C=CN=C1 AM11102 [0,1,0,0,1,0|1,0,0]=3 63 B10R1.61 NC1=CC=CN=C1C(=O)O AM10965 [0,1,0,0,1,0|1,0,0]=3 64 B10R1.61 NC1=CC=NC=C1C(=O)O AM11204 [0,1,0,0,1,0|1,0,0]=3 65 B10R1.61 O=C(O)C1=C(Br)C=NC=C1 AM10767 [0,1,0,0,1,0|1,0,0]=3 66 B10R1.61 O=C(O)C1=C(Br)N=CC=C1 AM10878 [0,1,0,0,1,0|1,0,0]=3 67 B10R1.61 O=C(O)C1=C(Cl)C=NC=C1 AM11439 [0,1,0,0,1,0|1,0,0]=3 68 B10R1.61 O=C(O)C1=C(Cl)N=CC=C1 AM10165 [0,1,0,0,1,0|1,0,0]=3 69 B10R1.61 O=C(O)C1=C(F)C=NC=C1 AM10082 [0,1,0,0,1,0|1,0,0]=3 70 B10R1.61 O=C(O)C1=C(F)N=CC=C1 AM10188 [0,1,0,0,1,0|1,0,0]=3 71 B10R1.61 O=C(O)C1=C(I)C=NC=C1 AM10929 [0,1,0,0,1,0|1,0,0]=3 72 B10R1.61 O=C(O)C1=CN=CC=C1Cl AM10093 [0,1,0,0,1,0|1,0,0]=3 73 B10R1.61 O=C(O)C1=CN=CC=C1I AM11236 [0,1,0,0,1,0|1,0,0]=3 74 B10R1.61 O=C(O)C1=CN=CC=C1O AM11232 [0,1,0,0,1,0|1,0,0]=3 75 B10R1.61 O=C(O)C1=NC=CC=C1Br AM10185 [0,1,0,0,1,0|1,0,0]=3 76 B10R1.61 O=C(O)C1=NC=CC=C1Cl AM11160 [0,1,0,0,1,0|1,0,0]=3 77 B10R1.61 O=C(O)C1=NC=CC=C1F AM10260 [0,1,0,0,1,0|1,0,0]=3 78 B10R1.61 O=C(O)C1=NC=CC=C1I AM10930 [0,1,0,0,1,0|1,0,0]=3 79 B10R1.61 O=C(O)c1cccnc1O AM10441 [0,1,0,0,1,0|1,0,0]=3 80 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 AM10684 [0,1,0,0,1,0|2,0,0]=4 81 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 AM10593 [0,1,0,0,1,0|2,0,0]=4 82 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 AM10820 [0,1,0,0,1,0|2,0,0]=4 83 B10R1.113 CC(=O)C1=NC=CC(C)=C1 AM10752 [0,1,0,0,1,0|2,0,0]=4 84 B10R1.113 CC(=O)C1=NC=CC(C)=C1 AM11518 [0,1,0,0,1,0|2,0,0]=4 85 B10R1.113 CC1=CC(C(=O)Cl)=CN=C1 AM11460 [0,1,0,0,1,0|2,0,0]=4 86 B10R1.113 CC1=CC(C(=O)O)=CN=C1 AM11349 [0,1,0,0,1,0|1,0,0]=3 87 B10R1.113 CC1=CC(C(=O)O)=NC=C1 AM11044 [0,1,0,0,1,0|1,0,0]=3 88 B10R1.113 CC1=CC=CC(C(=O)O)=N1 AM11389 [0,1,0,0,1,0|1,0,0]=3 89 B10R1.113 CC1=CC=CC(C(=O)O)=N1 AM11767 [0,1,0,0,1,0|1,0,0]=3 90 B10R1.113 CC1=NC=CC(C(=O)O)=C1 AM11438 [0,1,0,0,1,0|1,0,0]=3 91 B10R1.113 NC(=O)C1=CC(Br)=NC=C1 AM10394 [0,1,0,0,1,0|2,0,0]=4 92 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 AM11534 [0,1,0,0,1,0|2,0,0]=4 93 B10R1.113 NC(=O)C1=CN=CC(Br)=C1 AM11304 [0,1,0,0,1,0|2,0,0]=4 94 B10R1.113 NC(=O)C1=NC(Br)=CC=C1 AM10392 [0,1,0,0,1,0|2,0,0]=4 95 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 AM11223 [0,1,0,0,1,0|2,0,0]=4 96 B10R1.113 NC(=O)c1cccc(I)n1 AM10580 [0,1,0,0,1,0|2,0,0]=4 97 B10R1.113 NC1=CC(C(=O)O)=CN=C1 AM11265 [0,1,0,0,1,0|1,0,0]=3 98 B10R1.113 NC1=CC(C(=O)O)=NC=C1 AM11205 [0,1,0,0,1,0|1,0,0]=3 99 B10R1.113 NC1=CC=CC(C(=O)O)=N1 AM11361 [0,1,0,0,1,0|1,0,0]=3 100 B10R1.113 NC1=NC=CC(C(=O)O)=C1 AM10825 [0,1,0,0,1,0|1,0,0]=3 101 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 AM10057 [0,1,0,0,1,0|1,0,0]=3 102 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 AM11538 [0,1,0,0,1,0|1,0,0]=3 103 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 AM10440 [0,1,0,0,1,0|1,0,0]=3 104 B10R1.113 O=C(O)C1=CC(F)=NC=C1 AM10123 [0,1,0,0,1,0|1,0,0]=3 105 B10R1.113 O=C(O)C1=CC(O)=CN=C1 AM11028 [0,1,0,0,1,0|1,0,0]=3 106 B10R1.113 O=C(O)C1=CC(O)=NC=C1 AM11073 [0,1,0,0,1,0|1,0,0]=3 107 B10R1.113 O=C(O)C1=CN=CC(Cl)=C1 AM11307 [0,1,0,0,1,0|1,0,0]=3 108 B10R1.113 O=C(O)C1=CN=CC(F)=C1 AM10470 [0,1,0,0,1,0|1,0,0]=3 109 B10R1.113 O=C(O)C1=CN=CC(I)=C1 AM11342 [0,1,0,0,1,0|1,0,0]=3 110 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 AM10181 [0,1,0,0,1,0|1,0,0]=3 111 B10R1.113 O=C(O)C1=NC(Cl)=CC=C1 AM10028 [0,1,0,0,1,0|1,0,0]=3 112 B10R1.113 O=C(O)C1=NC(F)=CC=C1 AM10065 [0,1,0,0,1,0|1,0,0]=3 113 B10R1.113 O=C(O)C1=NC(I)=CC=C1 AM11384 [0,1,0,0,1,0|1,0,0]=3 114 B10R1.113 O=C(O)C1=NC(O)=CC=C1 AM11380 [0,1,0,0,1,0|1,0,0]=3 115 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 AM10199 [0,1,0,0,1,0|1,0,0]=3 116 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 AM11224 [0,1,0,0,1,0|1,0,0]=3 117 B10R1.113 O=C(O)C1=NC=CC(I)=C1 AM11237 [0,1,0,0,1,0|1,0,0]=3 118 B10R1.113 O=C(O)C1=NC=CC(O)=C1 AM11234 [0,1,0,0,1,0|1,0,0]=3 119 B10R1.113 O=C([O-])C1=NC=CC(I)=C1 AM11849 [0,1,0,0,1,0|1,0,1]=4 120 B12R1.19 O=C(O)CC1=CC(Br)=C(O)C=C1 AM10312 [0,2,0,0,0,0|0,0,0]=2 121 B12R1.49 COC(=O)NC1=NC=C(Br)C=C1 AM11653 [0,2,0,0,0,0|2,0,0]=4 122 B12R1.32 CCOC(=O)CC1=NC=CC=C1 AM11024 [0,2,0,0,0,0|1,0,0]=3