0 B8R1.7 CC(=O)C1=NC=NO1 A10624 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.7 CC(=O)C1=NSC=C1 AT21125 [0,0,0,0,0,0|1,0,1]=2 2 B8R1.7 C[C@H](N)C1=CC=NS1 AT21225 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.7 C[C@H](N)C1=CN=CN1 F13260 [0,0,0,0,0,0|2,0,1]=3 4 B8R1.7 C[C@H](N)C1=CN=CO1 AT18689 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.7 C[C@H](N)C1=CN=CO1 AT18691 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.7 C[C@H](N)C1=CNC=N1 C91192 [0,0,0,0,0,0|2,0,2]=4 7 B8R1.7 C[C@H](N)C1=CNC=N1 C91193 [0,0,0,0,0,0|2,0,2]=4 8 B8R1.7 C[C@H](N)C1=COC=C1 N16719 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.7 C[C@H](N)C1=COC=N1 AT12536 [0,0,0,0,0,0|2,0,2]=4 10 B8R1.7 C[C@H](N)C1=CSC=C1 AT23262 [0,0,0,0,0,0|3,0,1]=4 11 B8R1.7 C[C@H](N)C1=CSC=C1 AT23264 [0,0,0,0,0,0|3,0,1]=4 12 B8R1.7 C[C@H](N)C1=NNC=C1 32103 [0,0,0,0,0,0|2,0,2]=4 13 B8R1.7 C[C@H](N)C1=NOC=C1 33764 [0,0,0,0,0,0|2,0,2]=4 14 B8R1.7 C[C@H](O)C1=CC=NS1 AT21152 [0,0,0,0,0,0|2,0,2]=4 15 B8R1.7 C[C@H](O)C1=NOC=C1 AT21815 [0,0,0,0,0,0|1,0,3]=4 16 B8R1.7 O=C(O)C1=NN=CO1 D74898 [0,0,0,0,0,0|3,0,1]=4 17 B8R1.7 O=C(O)[C@@H]1C=CCC1 E72837 [0,0,0,0,0,0|2,0,2]=4 18 B7R1.1 C#CC1=CC=CO1 AC9158 [1,0,0,0,0,0|1,0,2]=4 19 B7R1.1 CCC1=NNC=C1 D77034 [1,0,0,0,0,0|1,0,2]=4 20 B7R1.1 CNC1=CN=CN1 57325 [1,0,0,0,0,0|2,0,0]=3 21 B7R1.1 CNC1=NN=CN1 AT21326 [1,0,0,0,0,0|3,0,0]=4 22 B7R1.1 COC1=CNC=N1 AT24767 [1,0,0,0,0,0|2,0,1]=4 23 B7R1.1 CSC1=NNC=C1 W10957 [1,0,0,0,0,0|2,0,1]=4 24 B7R1.1 O=CC1=CC=NO1 C73163 [1,0,0,0,0,0|2,0,0]=3 25 B7R1.1 O=CC1=NNC=N1 C15565 [1,0,0,0,0,0|2,0,1]=4 26 B7R1.1 O=CC1=NON=C1 D74167 [1,0,0,0,0,0|2,0,1]=4 27 B7R1.1 O=CC1=NSN=C1 AT12124 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.11 COC(=O)C1=CON=C1 F14140 [0,1,0,0,0,0|3,0,0]=4 29 B9R1.11 COC(=O)C1=CSN=C1 F14219 [0,1,0,0,0,0|3,0,0]=4 30 B9R1.19 CS(=O)(=O)C1=CNC=C1 AC9300 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.19 NS(=O)(=O)C1=CC=CO1 AT22943 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.19 O=S(=O)(F)C1=CC=NN1 AT25778 [0,1,0,0,0,0|3,0,0]=4 33 B9R1.19 O=S(=O)(F)C1=NC=CN1 AT12201 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.35 CC(=O)C1=CC(Br)=CO1 AT15600 [0,1,0,0,0,0|1,0,0]=2 35 B9R1.35 CC(=O)C1=CC(N)=NN1 P14350 [0,1,0,0,0,0|1,0,0]=2 36 B9R1.35 CC(=O)C1=CNC(Br)=C1 AC9410 [0,1,0,0,0,0|2,0,0]=3 37 B9R1.35 CC(=O)C1=NN(C)C=N1 91785 [0,1,0,0,0,0|2,0,1]=4 38 B9R1.35 CC1=CC(C(=O)O)=CO1 AT17486 [0,1,0,0,0,0|3,0,0]=4 39 B9R1.35 CC1=CC=C([C@H](C)N)O1 D96335 [0,1,0,0,0,0|2,0,1]=4 40 B9R1.35 CC1=CC=C([C@H](C)N)O1 D96391 [0,1,0,0,0,0|2,0,1]=4 41 B9R1.35 CC1=CC=C([C@H](C)N)O1 Y12181 [0,1,0,0,0,0|2,0,1]=4 42 B9R1.35 CC1=COC(C(=O)O)=C1 P12603 [0,1,0,0,0,0|2,0,0]=3 43 B9R1.35 CC1=COC(C(=O)O)=N1 94252 [0,1,0,0,0,0|2,0,1]=4 44 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 E72737 [0,1,0,0,0,0|2,0,1]=4 45 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y11514 [0,1,0,0,0,0|2,0,1]=4 46 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y11522 [0,1,0,0,0,0|2,0,1]=4 47 B9R1.35 NC1=CSC(C(=O)[O-])=N1 D77136 [0,1,0,0,0,0|2,0,1]=4 48 B9R1.35 O=C(O)C1=CC(Cl)=NS1 AT21207 [0,1,0,0,0,0|3,0,0]=4 49 B9R1.35 O=C(O)C1=CC(F)=NN1 E72836 [0,1,0,0,0,0|2,0,0]=3 50 B9R1.35 O=C(O)C1=COC(Cl)=C1 AT17316 [0,1,0,0,0,0|3,0,0]=4 51 B9R1.35 O=C(O)C1=CSC(F)=C1 P10264 [0,1,0,0,0,0|3,0,0]=4 52 B9R1.35 O=C(O)C1=NC(Br)=CN1 AT15621 [0,1,0,0,0,0|2,0,0]=3 53 B9R1.35 O=C(O)C1=NSC(Br)=C1 AT21100 [0,1,0,0,0,0|2,0,1]=4 54 B9R1.35 O=C(O)C1=NSC(I)=C1 AT21162 [0,1,0,0,0,0|2,0,1]=4 55 B9R1.35 O=C1N=C(C(=O)O)NO1 D73603 [0,1,0,0,0,0|3,0,0]=4 56 B9R1.41 CC(=O)C1=NC=NN1C AT12450 [0,1,0,0,0,0|2,0,0]=3 57 B9R1.41 C[C@H](N)C1=NC=CN1C AT22197 [0,1,0,0,0,0|2,0,1]=4 58 B9R1.41 C[C@H](N)C1=NC=CN1C AT22198 [0,1,0,0,0,0|2,0,1]=4 59 B9R1.41 O=C(O)C1=C(Br)C=NS1 AT21094 [0,1,0,0,0,0|3,0,0]=4 60 B9R1.41 O=C(O)C1=CSC=C1F AT16774 [0,1,0,0,0,0|3,0,0]=4 61 B9R1.41 O=C(O)C1=NOC=C1Br AT19731 [0,1,0,0,0,0|2,0,1]=4 62 B9R1.41 O=C(O)C1=NSC=C1Br AT21160 [0,1,0,0,0,0|2,0,1]=4 63 B9R1.41 O=[N+]([O-])C1=C(Cl)C=CS1 D86068 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.6 C=C(F)C1=CC=CC=C1 CS3204 [0,0,0,0,0,1|2,0,1]=4 65 B9R1.6 CN(N)C1=CC=CN=C1 D74848 [0,0,0,0,0,1|2,0,1]=4 66 B9R1.6 CN(N)C1=NC=CC=C1 D86030 [0,0,0,0,0,1|2,0,1]=4 67 B9R1.6 C[C@H](O)C1=NN=CC=C1 P14065 [0,0,0,0,0,1|0,0,3]=4 68 B9R1.6 C[P@H](=O)C1=CC=CC=C1 O11981 [0,0,0,0,0,1|2,0,0]=3 69 B9R1.6 NC(=S)C1=NN=CC=C1 O12058 [0,0,0,0,0,1|1,1,1]=4 70 B9R1.6 O=C(O)C1=NC=NN=C1 D73602 [0,0,0,0,0,1|2,0,1]=4 71 B9R1.13 CC(C)SC1=CN=CN1 79522 [0,0,0,0,0,1|2,0,1]=4 72 B6R0.4 NC\C=C/C(=O)O AT20734 [1,0,1,0,0,0|1,0,1]=4 73 B6R0.4 NC\C=C\C(=O)O AT20733 [1,0,1,0,0,0|1,0,1]=4 74 B6R1.2 FC1=NC=CN1 73631 [2,0,0,0,0,0|2,0,0]=4 75 B6R1.2 O=C1C=COC1 D75288 [2,0,0,0,0,0|2,0,0]=4 76 B6R1.2 O=C1NC=CO1 C74434 [2,0,0,0,0,0|1,0,0]=3 77 B6R1.2 OC1=CC=CS1 AC4704 [2,0,0,0,0,0|1,0,1]=4 78 B8R1.1 CC1=CC(C=O)=NS1 F14135 [1,1,0,0,0,0|1,0,1]=4 79 B8R1.1 CC1=COC(C=O)=C1 P11782 [1,1,0,0,0,0|1,0,0]=3 80 B8R1.1 CCC1=CC=C(N)S1 AT14665 [1,1,0,0,0,0|1,0,1]=4 81 B8R1.1 COC1=CC(Br)=CS1 P19567 [1,1,0,0,0,0|2,0,0]=4 82 B8R1.1 O=CC1=CC(Cl)=CN1 P10223 [1,1,0,0,0,0|0,0,0]=2 83 B8R1.1 O=CC1=CC(F)=CS1 D74660 [1,1,0,0,0,0|1,0,0]=3 84 B8R1.1 O=CC1=CC=C(F)S1 87160 [1,1,0,0,0,0|1,0,0]=3 85 B8R1.1 O=CC1=CN=C(Br)N1 AC9540 [1,1,0,0,0,0|1,0,0]=3 86 B8R1.1 O=CC1=CNC(I)=C1 AC9285 [1,1,0,0,0,0|2,0,0]=4 87 B8R1.1 O=CC1=NC(Br)=CN1 AT15314 [1,1,0,0,0,0|1,0,0]=3 88 B8R1.8 NCCC1=NC=CN1 AT24211 [1,1,0,0,0,0|1,0,1]=4 89 B8R1.11 CC1=C(C=O)SN=C1 AT21137 [1,1,0,0,0,0|2,0,0]=4 90 B8R1.11 CN1C=NN=C1C=O D73389 [1,1,0,0,0,0|2,0,0]=4 91 B8R1.11 NC1=C(C=O)OC=C1 D74825 [1,1,0,0,0,0|1,0,0]=3 92 B8R1.11 O=CC1=C(Br)C=NS1 D75843 [1,1,0,0,0,0|2,0,0]=4 93 B8R1.11 O=CC1=C(Cl)C=CN1 P10927 [1,1,0,0,0,0|0,0,0]=2 94 B8R1.11 O=CC1=C(Cl)C=CO1 AC2692 [1,1,0,0,0,0|1,0,0]=3 95 B8R1.11 O=CC1=C(F)C=CS1 D74567 [1,1,0,0,0,0|1,0,0]=3 96 B8R1.11 O=CC1=CSC=C1F AT17070 [1,1,0,0,0,0|2,0,0]=4 97 B8R1.38 COC(=O)C1=CCC1 P16819 [0,1,0,0,1,0|0,0,2]=4 98 B10R1.13 CC(=O)C1=CN=C(N)N=C1 O10258 [0,1,0,0,0,1|1,0,1]=4 99 B10R1.13 CC(=O)C1=NC=C(O)C=N1 AT23878 [0,1,0,0,0,1|0,0,1]=3 100 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50249 [0,1,0,0,0,1|2,0,0]=4 101 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50317 [0,1,0,0,0,1|2,0,0]=4 102 B10R1.13 C[S@](=O)C1=CN=C(Br)C=C1 22983 [0,1,0,0,0,1|1,0,1]=4 103 B10R1.13 O=C(F)C1=CC=C(F)C=C1 AT22483 [0,1,0,0,0,1|2,0,0]=4 104 B10R1.13 O=C(O)C1=NC=C(O)C=N1 H11150 [0,1,0,0,0,1|1,0,1]=4 105 B10R1.15 O=C(CBr)C1=CN=CN=C1 O10670 [0,1,0,0,0,1|1,0,1]=4 106 B10R1.61 NC1=CC=NN=C1C(=O)O F13675 [0,1,0,0,0,1|1,0,1]=4 107 B10R1.61 O=C(O)C1=C(S)C=CN=C1 AT16203 [0,1,0,0,0,1|1,0,1]=4 108 B10R1.113 CC(=O)C1=NC(C)=CC=N1 P10715 [0,1,0,0,0,1|0,0,1]=3 109 B10R1.23 CC(=O)C(=O)C1=CSC=C1 AC9698 [0,1,0,0,0,1|2,0,0]=4 110 B10R1.23 O=C(O)[C@H](F)C1=CC=CS1 D76404 [0,1,0,0,0,1|2,0,0]=4 111 B10R1.64 O=C(O)CC1=C(Cl)C=CO1 AC1393 [0,1,0,0,0,1|2,0,0]=4 112 B10R1.14 CCC(=O)C1=NOC(N)=C1 88478 [0,2,0,0,0,0|1,0,1]=4 113 B10R1.14 COC(=O)C1=CC(=O)NS1 D77112 [0,2,0,0,0,0|2,0,0]=4 114 B10R1.14 COC(=O)C1=CC(Cl)=CN1 P18992 [0,2,0,0,0,0|0,0,0]=2 115 B10R1.14 COC(=O)C1=CC(O)=CN1 D75981 [0,2,0,0,0,0|0,0,0]=2 116 B10R1.149 CN1C=CC=C1[C@@H](O)CN D86014 [0,2,0,0,0,0|0,0,2]=4 117 B10R1.149 COC(=O)C1=C(Cl)NC=C1 AT16177 [0,2,0,0,0,0|2,0,0]=4 118 B10R1.149 COC(=O)C1=C(F)C=CO1 AC5536 [0,2,0,0,0,0|1,0,0]=3 119 B10R1.149 COC(=O)C1=COC=C1Br D72254 [0,2,0,0,0,0|2,0,0]=4 120 B10R1.149 COC(=O)C1=CSC=C1Cl AT14982 [0,2,0,0,0,0|2,0,0]=4 121 B10R1.31 CC(=O)C1=NC=C(C#N)S1 AT24584 [0,2,0,0,0,0|1,0,1]=4 122 B10R1.31 CCC1=CC=C(C(=O)O)N1 D74884 [0,2,0,0,0,0|1,0,0]=3 123 B10R1.31 COC1=NSC(C(C)=O)=C1 AT11832 [0,2,0,0,0,0|2,0,0]=4 124 B10R1.59 CC1=CN(N)C(C(N)=O)=C1 P11521 [0,2,0,0,0,0|1,0,0]=3 125 B10R1.59 CN1NC(=O)C=C1C(=O)O D72123 [0,2,0,0,0,0|2,0,0]=4 126 B10R1.59 NC(=O)C1=CC(F)=CN1N P12552 [0,2,0,0,0,0|1,0,0]=3 127 B10R1.59 NC(=O)C1=CC(I)=CN1N P14721 [0,2,0,0,0,0|1,0,0]=3 128 B10R1.59 O=C(O)C1=C(F)C=C(Br)S1 AT22754 [0,2,0,0,0,0|2,0,0]=4 129 B10R1.194 CC1=CN=C(C(=O)O)N1C AT22510 [0,2,0,0,0,0|2,0,0]=4 130 B10R1.194 CC1=CSC(C(=O)O)=C1N 35392 [0,2,0,0,0,0|2,0,0]=4 131 B10R1.194 CN1C(N)=CC=C1[N+](=O)[O-] F52186 [0,2,0,0,0,0|2,0,0]=4 132 B10R1.194 O=C(O)C1=C(F)C(F)=CN1 P11016 [0,2,0,0,0,0|1,0,0]=3 133 B10R1.39 CCC1=C(C(=O)O)OC=C1 AT17161 [0,2,0,0,0,0|2,0,0]=4 134 B10R1.39 CCN1N=CN=C1C(C)=O AT12451 [0,2,0,0,0,0|2,0,0]=4 135 B10R1.39 N#CC1=C(C(=O)O)NC=N1 D75429 [0,2,0,0,0,0|2,0,0]=4 136 B10R1.39 NCC1=C(C(=O)O)NC=N1 D75428 [0,2,0,0,0,0|2,0,0]=4 137 B10R1.39 O=CC1=C(C(=O)O)NC=N1 D77027 [0,2,0,0,0,0|2,0,0]=4 138 B10R1.39 O=CC1=C(C(=O)O)SC=C1 AT16398 [0,2,0,0,0,0|2,0,0]=4 139 B10R1.192 CN1C=NC(Br)=C1C(=O)O 93725 [0,2,0,0,0,0|2,0,0]=4 140 B10R1.192 NC(=O)C1=C(Br)C=CN1N P14719 [0,2,0,0,0,0|1,0,0]=3 141 B10R1.192 NC(=O)C1=C(F)C=CN1N P14720 [0,2,0,0,0,0|1,0,0]=3 142 B8R1.4 NC1=CC=CC([15NH2])=C1 41470 [0,0,1,1,0,0|1,0,1]=4 143 B8R1.4 O=C1C=CC=C(I)N1 D76264 [0,0,1,1,0,0|2,0,0]=4 144 B8R1.5 CC1=C(N)C=CN=N1 F13599 [0,0,1,1,0,0|2,0,0]=4 145 B8R1.5 CC1=C(N)C=CN=N1 F13600 [0,0,1,1,0,0|2,0,0]=4 146 B8R1.5 O=C1OC=CC=C1Br AC1746 [0,0,1,1,0,0|2,0,0]=4 147 B10R2.2 O=C1CC2=CC=NN2C1 D73592 [0,0,0,1,0,1|1,0,0]=3 148 B10R2.2 O=C1CC2=NC=CN2C1 AT24595 [0,0,0,1,0,1|1,0,0]=3 149 B10R2.32 O=C1CCC2=C1N=CO2 AT24635 [0,1,0,1,0,0|1,0,1]=4 150 B10R2.32 O=C1CCC2=C1N=CS2 AT24601 [0,1,0,1,0,0|1,0,1]=4 151 B10R2.32 O=C1CCC2=C1OC=C2 D74775 [0,1,0,1,0,0|1,0,0]=3 152 B10R2.32 O=C1CCC2=C1OC=N2 AT24607 [0,1,0,1,0,0|2,0,0]=4 153 B10R2.32 O=C1CCC2=C1SC=N2 AT24604 [0,1,0,1,0,0|2,0,0]=4 154 B10R2.32 O=C1CCN2N=CC=C12 D73593 [0,1,0,1,0,0|1,0,0]=3 155 B8R1.2 CCC1=NC=CC=N1 D86044 [1,0,0,0,0,1|0,0,2]=4 156 B8R1.2 C[13CH2]C1=CC=CC=C1 D98792 [1,0,0,0,0,1|1,0,1]=4 157 B10R1.18 CC(=O)CC1=NC=CC=N1 P10714 [0,0,0,0,0,2|0,0,1]=3 158 B10R1.18 O=C(Cl)NC1=CC=CC=C1 D86031 [0,0,0,0,0,2|2,0,0]=4 159 B10R1.18 O=C(O)CC1=CC=CC=C1 AT24078 [0,0,0,0,0,2|2,0,0]=4 160 B10R1.18 O=C(O)CC1=NC=NC=C1 P10413 [0,0,0,0,0,2|1,0,1]=4 161 B10R1.18 O=C(O)CC1=NN=CC=C1 P10994 [0,0,0,0,0,2|1,0,1]=4