0 B9R1.6 C=C(F)C1=CC=CC=C1 CS3204 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.6 CN(N)C1=CC=CN=C1 D74848 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.6 CN(N)C1=NC=CC=C1 D86030 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.6 C[C@H](N)C1=CN=CN=C1 P12431 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.6 C[C@H](N)C1=CN=CN=C1 P12500 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.6 C[C@H](N)C1=CN=NC=C1 P18973 [0,0,0,0,0,0|2,0,1]=3 6 B9R1.6 C[C@H](O)C1=CN=CN=C1 P11936 [0,0,0,0,0,0|2,0,2]=4 7 B9R1.6 C[C@H](O)C1=NN=CC=C1 P14065 [0,0,0,0,0,0|2,0,2]=4 8 B9R1.6 C[P@H](=O)C1=CC=CC=C1 O11981 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.6 NC(=S)C1=NN=CC=C1 O12058 [0,0,0,0,0,0|1,1,0]=2 10 B9R1.6 O=C(O)C1=NC=NN=C1 D73602 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.6 OB(O)C1=NN=CC=C1 D75475 [0,0,0,0,0,0|3,0,1]=4 12 B8R1.2 C[13CH2]C1=CC=CC=C1 D98792 [1,0,0,0,0,0|2,0,1]=4 13 B8R1.2 NCC1=CN=NC=C1 F10917 [1,0,0,0,0,0|1,0,1]=3 14 B8R1.2 NNC1=CN=NC=C1 AT13036 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.13 CC(=O)C1=CN=C(N)N=C1 O10258 [0,1,0,0,0,0|2,0,0]=3 16 B10R1.13 CC1=CC=C([C@H](C)N)N=N1 56579 [0,1,0,0,0,0|2,0,1]=4 17 B10R1.13 CC1=CC=C([C@H](C)N)N=N1 56581 [0,1,0,0,0,0|2,0,1]=4 18 B10R1.13 CC1=CN=C([C@H](C)N)C=N1 D96435 [0,1,0,0,0,0|2,0,1]=4 19 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 D96383 [0,1,0,0,0,0|1,0,1]=3 20 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 56587 [0,1,0,0,0,0|2,0,1]=4 21 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 56589 [0,1,0,0,0,0|2,0,1]=4 22 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 90823 [0,1,0,0,0,0|1,0,1]=3 23 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 90824 [0,1,0,0,0,0|1,0,1]=3 24 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 D96354 [0,1,0,0,0,0|1,0,1]=3 25 B10R1.13 C[C@H](N)C1=CN=C(F)C=C1 AC7189 [0,1,0,0,0,0|1,0,1]=3 26 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50249 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50317 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.13 C[S@](=O)C1=CN=C(Br)C=C1 22983 [0,1,0,0,0,0|2,0,0]=3 29 B10R1.13 N=C(N)C1=CN=C(Br)C=C1 W17790 [0,1,0,0,0,0|1,0,0]=2 30 B10R1.13 NC(=O)C1=CN=C(Br)N=C1 D76256 [0,1,0,0,0,0|1,0,0]=2 31 B10R1.13 O=C(F)C1=CC=C(F)C=C1 AT22483 [0,1,0,0,0,0|2,0,0]=3 32 B10R1.15 C[C@H](ON)C1=CC=CC=C1 D74249 [0,1,0,0,0,0|2,0,1]=4 33 B10R1.15 NC[C@H](F)C1=CC=CC=C1 E72838 [0,1,0,0,0,0|2,0,1]=4 34 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 72623 [0,1,0,0,0,0|2,0,1]=4 35 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 AC4819 [0,1,0,0,0,0|2,0,1]=4 36 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 W11733 [0,1,0,0,0,0|2,0,1]=4 37 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 W11734 [0,1,0,0,0,0|2,0,1]=4 38 B10R1.15 N[C@@H](CO)C1=NC=CN=C1 AT24480 [0,1,0,0,0,0|1,0,2]=4 39 B10R1.15 N[C@@H](CO)C1=NC=CN=C1 AT24481 [0,1,0,0,0,0|1,0,2]=4 40 B10R1.15 O=C(CBr)C1=CN=CN=C1 O10670 [0,1,0,0,0,0|2,0,0]=3 41 B10R1.28 O=S(=O)(F)C1=NC=CN=C1 AT12166 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.28 [2H]C([2H])(N)C1=CC=CC=C1 D99382 [0,1,0,0,0,0|2,0,1]=4 43 B10R1.28 [2H]C([2H])([2H])C1=CC=CN=C1 D98305 [0,1,0,0,0,0|2,0,1]=4 44 B10R1.61 C[C@H](N)C1=CC=CN=C1F AC8220 [0,1,0,0,0,0|1,0,1]=3 45 B10R1.61 C[C@H](O)C1=C(F)C=CN=C1 AT10684 [0,1,0,0,0,0|1,0,2]=4 46 B10R1.61 C[C@H](O)C1=CC=CN=C1F AT10061 [0,1,0,0,0,0|1,0,2]=4 47 B10R1.61 NC1=C(C(=O)O)C=NN=C1 D87903 [0,1,0,0,0,0|2,0,0]=3 48 B10R1.61 NC1=CC=NN=C1C(=O)O F13675 [0,1,0,0,0,0|2,0,0]=3 49 B10R1.61 O=C(O)C1=C(S)C=CN=C1 AT16203 [0,1,0,0,0,0|1,0,0]=2 50 B10R1.113 CC1=CC=CC([S@](=O)[O-])=C1 C14953 [0,1,0,0,0,0|3,0,0]=4 51 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 D96342 [0,1,0,0,0,0|1,0,1]=3 52 B10R1.113 NC1=CC(C(F)F)=CN=C1 E72812 [0,1,0,0,0,0|2,0,1]=4 53 B10R1.113 OC1=CC(C(F)F)=CN=C1 AT26720 [0,1,0,0,0,0|2,0,1]=4 54 B10R2.6 C1=CC=C([C@@H]2CN2)C=C1 89380 [0,0,0,1,0,0|2,0,1]=4 55 B10R2.6 C1=CC=C([C@@H]2CN2)C=C1 89381 [0,0,0,1,0,0|2,0,1]=4 56 B8R1.7 CC(=O)C1=NC=NO1 A10624 [0,0,0,0,1,0|3,0,0]=4 57 B8R1.7 CC(=O)C1=NSC=C1 AT21125 [0,0,0,0,1,0|2,0,0]=3 58 B8R1.7 C[C@H](N)C1=CC=NS1 AT21225 [0,0,0,0,1,0|2,0,1]=4 59 B8R1.7 C[C@H](N)C1=CN=CN1 F13260 [0,0,0,0,1,0|2,0,1]=4 60 B8R1.7 C[C@H](N)C1=CN=CO1 AT18689 [0,0,0,0,1,0|2,0,1]=4 61 B8R1.7 C[C@H](N)C1=CN=CO1 AT18691 [0,0,0,0,1,0|2,0,1]=4 62 B8R1.7 C[C@H](N)C1=CNC=N1 C91192 [0,0,0,0,1,0|2,0,1]=4 63 B8R1.7 C[C@H](N)C1=CNC=N1 C91193 [0,0,0,0,1,0|2,0,1]=4 64 B8R1.7 C[C@H](N)C1=COC=C1 N16719 [0,0,0,0,1,0|2,0,1]=4 65 B8R1.7 C[C@H](N)C1=COC=N1 AT12536 [0,0,0,0,1,0|2,0,1]=4 66 B8R1.7 C[C@H](N)C1=CSC=C1 AT23262 [0,0,0,0,1,0|2,0,1]=4 67 B8R1.7 C[C@H](N)C1=CSC=C1 AT23264 [0,0,0,0,1,0|2,0,1]=4 68 B8R1.7 C[C@H](N)C1=CSN=C1 AT21218 [0,0,0,0,1,0|2,0,1]=4 69 B8R1.7 C[C@H](N)C1=NNC=C1 32103 [0,0,0,0,1,0|2,0,1]=4 70 B8R1.7 C[C@H](N)C1=NOC=C1 33764 [0,0,0,0,1,0|2,0,1]=4 71 B8R1.7 O=C(O)C1=NN=CO1 D74898 [0,0,0,0,1,0|3,0,0]=4 72 B10R1.18 O=C(Cl)NC1=CC=CC=C1 D86031 [0,0,0,0,0,1|2,0,0]=3 73 B10R1.18 O=C(O)CC1=CC=CC=C1 AT24078 [0,0,0,0,0,1|2,0,0]=3 74 B10R1.18 O=C(O)CC1=CN=NC=C1 P19188 [0,0,0,0,0,1|2,0,0]=3 75 B10R1.18 O=C(O)CC1=NN=CC=C1 P10994 [0,0,0,0,0,1|2,0,0]=3 76 B7R1.3 SC1=CN=CC=C1 AT26584 [2,0,0,0,0,0|0,1,0]=3 77 B9R1.1 CC1=CC=C(CN)N=N1 37065 [1,1,0,0,0,0|1,0,1]=4 78 B9R1.1 NCC1=CN=C(Cl)N=C1 P10942 [1,1,0,0,0,0|1,0,1]=4 79 B9R1.2 CC1=CN=CC(CN)=N1 C91463 [1,1,0,0,0,0|1,0,1]=4 80 B9R1.2 CC1=CN=NC(CN)=C1 F30454 [1,1,0,0,0,0|1,0,1]=4 81 B9R1.2 ClCC1=CC(Cl)=CN=C1 H10969 [1,1,0,0,0,0|1,0,1]=4 82 B9R1.2 O=CC1=CN=CC(F)=N1 P13899 [1,1,0,0,0,0|1,0,0]=3 83 B9R1.8 CCOC1=CN=CC=C1 F31361 [1,1,0,0,0,0|1,0,1]=4 84 B9R1.8 CNCC1=CN=NC=C1 P12145 [1,1,0,0,0,0|1,0,1]=4 85 B9R1.8 ClCCC1=CN=CC=C1 D87792 [1,1,0,0,0,0|1,0,1]=4 86 B9R1.8 I\C=C/C1=CC=CC=C1 AT23642 [1,1,0,0,0,0|2,0,0]=4 87 B9R1.8 NNCC1=CC=CN=N1 P13290 [1,1,0,0,0,0|1,0,1]=4 88 B9R1.8 NNCC1=CN=NC=C1 P12938 [1,1,0,0,0,0|1,0,1]=4 89 B9R1.8 SCCC1=CN=CC=C1 F18092 [1,1,0,0,0,0|0,1,1]=4 90 B9R1.15 CC1=C(C=O)C=NN=C1 AT10311 [1,1,0,0,0,0|1,0,0]=3 91 B9R1.15 CC1=C(CN)C=CN=N1 F50140 [1,1,0,0,0,0|1,0,1]=4 92 B9R1.15 CC1=C(CN)N=NC=C1 P13738 [1,1,0,0,0,0|1,0,1]=4 93 B9R1.15 CC1=CC=NN=C1C=O AT10310 [1,1,0,0,0,0|1,0,0]=3 94 B9R1.15 CC1=CN=NC=C1CN P12550 [1,1,0,0,0,0|1,0,1]=4 95 B9R1.15 CC1=NC=NC=C1CN F31022 [1,1,0,0,0,0|1,0,1]=4 96 B9R1.15 CC1=[13C](C=O)C=CC=C1 D98794 [1,1,0,0,0,0|1,0,0]=3 97 B9R1.15 N#CC1=C(F)C=CN=C1 C14105 [1,1,0,0,0,0|0,0,2]=4 98 B9R1.15 NCC1=C(F)C=CN=C1 C90217 [1,1,0,0,0,0|0,0,1]=3 99 B9R1.15 NCC1=CC=CNC1=O D76881 [1,1,0,0,0,0|0,0,2]=4 100 B9R1.15 NCC1=NC=CN=C1F C91950 [1,1,0,0,0,0|1,0,1]=4 101 B9R1.15 O=CC1=C(F)C=CN=C1 P10446 [1,1,0,0,0,0|0,0,0]=2 102 B9R1.15 O=CC1=NC=CN=C1F P13900 [1,1,0,0,0,0|1,0,0]=3 103 B9R1.11 COC(=O)C1=CON=C1 F14140 [0,1,0,0,1,0|2,0,0]=4 104 B9R1.11 COC(=O)C1=CSN=C1 F14219 [0,1,0,0,1,0|2,0,0]=4 105 B9R1.19 NS(=O)(=O)C1=CC=CO1 AT22943 [0,1,0,0,1,0|2,0,0]=4 106 B9R1.19 NS(=O)(=O)C1=CON=C1 AT22863 [0,1,0,0,1,0|2,0,0]=4 107 B9R1.35 CC(=O)C1=CC(Br)=CO1 AT15600 [0,1,0,0,1,0|2,0,0]=4 108 B9R1.35 CC(=O)C1=CC(N)=NN1 P14350 [0,1,0,0,1,0|2,0,0]=4 109 B9R1.35 CC(=O)C1=CNC(Br)=C1 AC9410 [0,1,0,0,1,0|1,0,1]=4 110 B9R1.35 CC1=CC(C(=O)O)=CO1 AT17486 [0,1,0,0,1,0|2,0,0]=4 111 B9R1.35 CC1=COC(C(=O)O)=C1 P12603 [0,1,0,0,1,0|2,0,0]=4 112 B9R1.35 CC1=COC(C(=O)O)=N1 94252 [0,1,0,0,1,0|2,0,0]=4 113 B9R1.35 NC1=CSC(C(=O)[O-])=N1 D77136 [0,1,0,0,1,0|2,0,0]=4 114 B9R1.35 O=C(O)C1=CC(Cl)=NS1 AT21207 [0,1,0,0,1,0|2,0,0]=4 115 B9R1.35 O=C(O)C1=CC(F)=NN1 E72836 [0,1,0,0,1,0|2,0,0]=4 116 B9R1.35 O=C(O)C1=COC(Cl)=C1 AT17316 [0,1,0,0,1,0|2,0,0]=4 117 B9R1.35 O=C(O)C1=CSC(F)=C1 P10264 [0,1,0,0,1,0|2,0,0]=4 118 B9R1.35 O=C(O)C1=NC(Br)=CN1 AT15621 [0,1,0,0,1,0|2,0,0]=4 119 B9R1.35 O=C(O)C1=NSC(Br)=C1 AT21100 [0,1,0,0,1,0|2,0,0]=4 120 B9R1.35 O=C(O)C1=NSC(I)=C1 AT21162 [0,1,0,0,1,0|2,0,0]=4 121 B9R1.41 CC1=C(C(=N)N)N=CO1 58495 [0,1,0,0,1,0|2,0,0]=4 122 B9R1.41 CC1=C(C(=O)O)C=NS1 AT21135 [0,1,0,0,1,0|2,0,0]=4 123 B9R1.41 O=C(O)C1=C(Br)C=NS1 AT21094 [0,1,0,0,1,0|2,0,0]=4 124 B9R1.41 O=C(O)C1=CSC=C1F AT16774 [0,1,0,0,1,0|2,0,0]=4 125 B9R1.41 O=C(O)C1=CSN=C1Br AT21076 [0,1,0,0,1,0|2,0,0]=4 126 B9R1.41 O=C(O)C1=CSN=C1Cl AT21165 [0,1,0,0,1,0|2,0,0]=4 127 B9R1.41 O=C(O)C1=NOC=C1Br AT19731 [0,1,0,0,1,0|2,0,0]=4 128 B9R1.41 O=C(O)C1=NSC=C1Br AT21160 [0,1,0,0,1,0|2,0,0]=4 129 B11R1.20 CC(=O)NC1=CN=C(Br)C=N1 D76261 [0,1,0,0,0,1|2,0,0]=4 130 B11R1.20 CC1=CN=C(CC(=O)[O-])C=N1 C92933 [0,1,0,0,0,1|2,0,0]=4 131 B11R1.20 O=C(O)CC1=CN=C(Br)N=C1 D76259 [0,1,0,0,0,1|2,0,0]=4 132 B11R1.20 O=C(O)CC1=CN=C(F)C=C1 AT23306 [0,1,0,0,0,1|1,0,0]=3 133 B11R1.20 O=C(O)CC1=CNC(=O)C=C1 D86041 [0,1,0,0,0,1|1,0,1]=4 134 B11R1.40 CNC(=O)NC1=CC=CC=C1 D77088 [0,1,0,0,0,1|1,0,0]=3 135 B11R1.40 COC(=O)CC1=NN=CC=C1 37155 [0,1,0,0,0,1|2,0,0]=4 136 B11R1.86 CC(=O)NC1=CC=CNC1=O D74338 [0,1,0,0,0,1|1,0,1]=4 137 B11R1.86 O=C(O)CC1=C(Br)C=CN=C1 AT23274 [0,1,0,0,0,1|1,0,0]=3 138 B11R1.86 O=C(O)CC1=C(Cl)C=CN=C1 AT23281 [0,1,0,0,0,1|1,0,0]=3 139 B11R1.86 O=C(O)CC1=CC=CN=C1F AT23305 [0,1,0,0,0,1|1,0,0]=3 140 B11R1.157 CC(=O)CC1=CC(N)=CC=C1 D75584 [0,1,0,0,0,1|2,0,0]=4 141 B11R1.157 O=C(O)CC1=CC(Cl)=CN=C1 AT23278 [0,1,0,0,0,1|1,0,0]=3 142 B11R1.509 CS(C)(=O)=NC1=CN=CC=C1 E72526 [0,1,0,0,0,1|2,0,0]=4 143 B11R1.509 NS(=O)(=O)CC1=CN=CN=C1 CS1659 [0,1,0,0,0,1|2,0,0]=4 144 B11R1.509 NS(=O)(=O)OC1=CC=CC=C1 AT24286 [0,1,0,0,0,1|2,0,0]=4 145 B11R1.509 O=S(=O)(Cl)CC1=CN=CC=C1 AT21663 [0,1,0,0,0,1|2,0,0]=4 146 B11R1.509 O=S(=O)(Cl)CC1=CN=CC=C1 D87972 [0,1,0,0,0,1|2,0,0]=4 147 B11R1.3 CNC1=NC=C(C(=N)N)C=C1 AT24739 [0,2,0,0,0,0|1,0,0]=3 148 B11R1.3 C[C@H](N)C1=CN=C(C#N)C=C1 P19331 [0,2,0,0,0,0|1,0,1]=4 149 B11R1.3 N#CC1=NC=C(C(=N)N)C=C1 AT24733 [0,2,0,0,0,0|1,0,0]=3 150 B11R1.3 NCC1=NC=C(C(=O)O)C=N1 AT18397 [0,2,0,0,0,0|2,0,0]=4 151 B11R1.3 NCC1=NC=C(C(N)=O)C=C1 O11498 [0,2,0,0,0,0|0,0,0]=2 152 B11R1.3 O=C(O)C1=CC=C(CF)C=C1 E72963 [0,2,0,0,0,0|2,0,0]=4 153 B11R1.19 CC1=NC=C(S(N)(=O)=O)C=C1 P20529 [0,2,0,0,0,0|1,0,0]=3 154 B11R1.19 O=S(=O)(Cl)C1=CN=C(F)C=C1 AT11614 [0,2,0,0,0,0|2,0,0]=4 155 B11R1.19 O=S(=O)(F)C1=CN=C(O)C=C1 AT26908 [0,2,0,0,0,0|2,0,0]=4 156 B11R1.21 CC1=C(S)C=C(C(=O)O)C=C1 D74668 [0,2,0,0,0,0|2,0,0]=4 157 B11R1.21 CC1=CC(C(=O)O)=NN=C1C AT17788 [0,2,0,0,0,0|2,0,0]=4 158 B11R1.21 NC(=O)C1=CN=C(Cl)C(F)=C1 D97046 [0,2,0,0,0,0|0,0,0]=2 159 B11R1.21 NC1=CC(C(=O)O)=CN=C1F AT14227 [0,2,0,0,0,0|1,0,0]=3 160 B11R1.21 [BH3-]C1=C(C)C=CC(C(N)=O)=C1 AC8800 [0,2,0,0,0,0|1,0,0]=3 161 B11R1.22 CNC(=S)C1=CC=C(Br)C=C1 AC9075 [0,2,0,0,0,0|1,1,0]=4 162 B11R1.22 COC(=O)C1=CN=C(Br)N=C1 AT22353 [0,2,0,0,0,0|2,0,0]=4 163 B11R1.22 COC(=O)C1=NN=C(F)C=C1 AT24744 [0,2,0,0,0,0|2,0,0]=4 164 B11R1.22 O=C(CBr)C1=NN=C(Cl)C=C1 W11188 [0,2,0,0,0,0|2,0,0]=4 165 B11R1.22 O=C(CO)C1=CN=C(Cl)C=C1 C91057 [0,2,0,0,0,0|1,0,0]=3 166 B11R1.166 CC(=O)C1=C(F)C=C(N)C=C1 AT16600 [0,2,0,0,0,0|2,0,0]=4 167 B11R1.166 CC(=O)C1=C(O)N=C(Cl)C=C1 AT20297 [0,2,0,0,0,0|1,0,0]=3 168 B11R1.166 CC(=O)C1=CN=C(Cl)C=C1N AC9826 [0,2,0,0,0,0|1,0,0]=3 169 B11R1.166 CC1=C(C(=O)O)N=CC(Cl)=N1 AT24109 [0,2,0,0,0,0|2,0,0]=4 170 B11R1.166 CC1=CC(Cl)=C([N+](=O)[O-])C=N1 P12234 [0,2,0,0,0,0|2,0,0]=4 171 B11R1.166 NC(=O)C1=NC=C(F)C=C1N AT14793 [0,2,0,0,0,0|2,0,0]=4 172 B11R1.166 NC1=CC(S)=C(C(=O)O)C=C1 AT21193 [0,2,0,0,0,0|2,0,0]=4 173 B11R1.166 O=C(O)C1=C(I)C=C(Br)N=C1 AT12762 [0,2,0,0,0,0|1,0,0]=3 174 B11R1.166 O=C(O)C1=C(I)C=C(Cl)N=C1 P12286 [0,2,0,0,0,0|1,0,0]=3 175 B11R1.166 O=C(O)C1=C(O)N=C(Br)C=C1 AC4834 [0,2,0,0,0,0|1,0,0]=3 176 B11R1.166 O=[N+]([O-])C1=CC=C(F)N=C1Cl C74714 [0,2,0,0,0,0|2,0,0]=4 177 B11R1.12 NC\C(=C\Cl)C1=CC=CC=C1 42349 [0,2,0,0,0,0|2,0,0]=4 178 B11R1.16 NCCC(=O)C1=CC=CC=C1 AC9010 [0,2,0,0,0,0|1,0,0]=3 179 B11R1.16 NCCC(=O)C1=CC=CC=C1 D76552 [0,2,0,0,0,0|1,0,0]=3 180 B11R1.23 COC(=O)C1=CN=NC(C)=C1 E71799 [0,2,0,0,0,0|2,0,0]=4 181 B11R1.222 C=CC(=O)C1=C(F)C=CC=C1 F13144 [0,2,0,0,0,0|2,0,0]=4 182 B11R1.222 CC1=C(C(=S)NN)C=CC=C1 W10975 [0,2,0,0,0,0|1,1,0]=4 183 B11R1.222 COC(=O)C1=NN=CC=C1C F51619 [0,2,0,0,0,0|2,0,0]=4 184 B11R1.222 O=C(NO)C1=C(Br)C=CC=C1 D76830 [0,2,0,0,0,0|1,0,0]=3 185 B11R1.87 CC1=C(S(=O)(=O)Cl)C=CC=N1 AT24066 [0,2,0,0,0,0|2,0,0]=4 186 B11R1.87 CP(C)(=O)C1=C(N)C=CN=C1 AT13618 [0,2,0,0,0,0|2,0,0]=4 187 B11R1.87 CP(C)(=O)C1=C(N)N=CC=C1 AT10913 [0,2,0,0,0,0|2,0,0]=4 188 B11R1.87 CS(=O)(=O)C1=C(Cl)C=CN=C1 91181 [0,2,0,0,0,0|2,0,0]=4 189 B11R1.87 O=S(=O)(F)C1=C(F)C=CN=C1 AT26909 [0,2,0,0,0,0|2,0,0]=4 190 B11R1.155 CC(C)(N)C1=CC(F)=CN=C1 AT26869 [0,2,0,0,0,0|1,0,1]=4 191 B11R1.155 CP(C)(=O)C1=CN=CC(N)=C1 AT13613 [0,2,0,0,0,0|2,0,0]=4 192 B11R1.155 NC1=CC(S(N)(=O)=O)=CN=C1 C77429 [0,2,0,0,0,0|1,0,0]=3 193 B11R1.53 NCC1=C(C(=O)O)C=CC=N1 AT25913 [0,2,0,0,0,0|1,0,0]=3 194 B11R1.53 O=C(O)C1=C(CO)N=CC=C1 D77099 [0,2,0,0,0,0|1,0,0]=3 195 B11R1.53 O=CC1=C(C(=O)O)C=NC=C1 P18750 [0,2,0,0,0,0|1,0,0]=3 196 B11R1.156 CC(=O)C1=C(I)C=CN=C1F AT16505 [0,2,0,0,0,0|1,0,0]=3 197 B11R1.156 CC1=NC=NC(N)=C1C(=O)O AT10451 [0,2,0,0,0,0|2,0,0]=4 198 B11R1.159 CC1=C(Cl)C=NC=C1[N+](=O)[O-] AT24803 [0,2,0,0,0,0|2,0,0]=4 199 B11R1.159 CC1=CN=CC(C(=O)O)=C1C AT13149 [0,2,0,0,0,0|1,0,0]=3 200 B11R1.159 NC(=O)C1=C(I)C(Cl)=CC=N1 AC3696 [0,2,0,0,0,0|2,0,0]=4 201 B11R1.159 NC1=CN=CC(C(=O)O)=C1N 94389 [0,2,0,0,0,0|1,0,0]=3 202 B11R1.159 O=C(O)C1=CN=CC(Br)=C1Br AT15963 [0,2,0,0,0,0|1,0,0]=3 203 B11R1.159 O=C(O)C1=CN=CC(Br)=C1Cl C72015 [0,2,0,0,0,0|1,0,0]=3 204 B11R1.159 O=C(O)C1=CN=CC(F)=C1Cl AT10270 [0,2,0,0,0,0|1,0,0]=3 205 B11R1.167 CC(=O)C1=C(Br)C=CC(N)=C1 O10299 [0,2,0,0,0,0|2,0,0]=4 206 B11R1.167 CC(=O)C1=C(C)N=CC(N)=C1 O10300 [0,2,0,0,0,0|1,0,0]=3 207 B11R1.167 CC(=O)C1=CC(Br)=CN=C1O AT20305 [0,2,0,0,0,0|1,0,0]=3 208 B11R1.167 CC(=O)C1=CC(Cl)=CN=C1O AT20998 [0,2,0,0,0,0|1,0,0]=3 209 B11R1.167 CC(=O)C1=CC(F)=CN=C1O AT21104 [0,2,0,0,0,0|1,0,0]=3 210 B11R1.167 NC(=O)C1=CC(Cl)=CN=C1N AT16915 [0,2,0,0,0,0|0,0,0]=2 211 B11R1.167 O=C(O)C1=C(O)N=CC(F)=N1 N13383 [0,2,0,0,0,0|2,0,0]=4 212 B11R1.167 O=C(O)C1=CC(Br)=CN=C1I AC8600 [0,2,0,0,0,0|1,0,0]=3 213 B11R1.74 [2H]C1=CC([2H])=CC(C(=O)O)=C1 D99631 [0,2,0,0,0,0|2,0,0]=4 214 B11R1.266 CCC1=CC(C(=O)O)=CN=C1 D86036 [0,2,0,0,0,0|1,0,0]=3 215 B11R1.266 COC1=CN=CC([C@H](C)N)=C1 Y13929 [0,2,0,0,0,0|1,0,1]=4 216 B11R1.266 NCC1=CC(C(N)=O)=NC=C1 P18767 [0,2,0,0,0,0|2,0,0]=4 217 B11R1.266 NNC1=CC(C(N)=O)=NC=C1 AT21860 [0,2,0,0,0,0|2,0,0]=4 218 B9R1.69 O=C1NC(Br)=CC=C1Br D75460 [0,0,1,1,0,0|2,0,0]=4 219 B9R1.69 O=C1NC(Cl)=NC=C1Cl AT15155 [0,0,1,1,0,0|2,0,0]=4 220 B11R2.10 ClC1=NC2=C(C=NC=C2)N1 CS2601 [0,0,0,1,0,1|1,0,1]=4 221 B11R2.10 ClC1=NC2=C(C=NC=C2)S1 AT22344 [0,0,0,1,0,1|1,0,1]=4 222 B11R2.10 N[C@H]1CC2=CC=CN=C2C1 AT25949 [0,0,0,1,0,1|1,0,1]=4 223 B11R2.1 C[C@H]1CNC2=NC=CC=C21 93644 [0,1,0,1,0,0|1,0,1]=4 224 B11R2.1 NC1=C2C=CC=CC2=NO1 AC2203 [0,1,0,1,0,0|1,0,1]=4 225 B11R2.1 NC1=CNC2=NC=CN=C12 P19478 [0,1,0,1,0,0|2,0,0]=4 226 B11R2.1 N[C@H]1CCC2=NC=CC=C21 C15938 [0,1,0,1,0,0|1,0,1]=4 227 B11R2.1 O=C1NC=C2C=CC=CN12 D72553 [0,1,0,1,0,0|2,0,0]=4 228 B11R2.239 C1=CN=CC(C2CNC2)=C1 AT10105 [0,1,0,1,0,0|1,0,1]=4 229 B11R2.468 O=C1CC2=CC=CC(Br)=C12 AT20401 [0,1,0,1,0,0|2,0,0]=4 230 B7R1.1 NCC1=CC=NS1 C77431 [1,0,0,0,1,0|1,0,1]=4 231 B7R1.1 NCC1=CN=CO1 P10824 [1,0,0,0,1,0|1,0,1]=4 232 B7R1.1 NCC1=CON=C1 P10602 [1,0,0,0,1,0|1,0,1]=4 233 B7R1.1 O=CC1=CC=NO1 C73163 [1,0,0,0,1,0|1,0,0]=3 234 B7R1.1 O=CC1=NNC=N1 C15565 [1,0,0,0,1,0|2,0,0]=4 235 B7R1.1 O=CC1=NON=C1 D74167 [1,0,0,0,1,0|2,0,0]=4 236 B7R1.1 O=CC1=NSN=C1 AT12124 [1,0,0,0,1,0|2,0,0]=4 237 B11R1.91 O=C(O)CCC1=NN=CC=C1 P18641 [0,0,0,0,0,2|2,0,0]=4