0 B6R1.2 BrC1=CN=CO1 AT11056 [0,0,0,0,0,0|3,0,0]=3 1 B6R1.2 BrC1=COC=N1 AT11057 [0,0,0,0,0,0|4,0,0]=4 2 B6R1.2 CC1=NNCC1 D76466 [0,0,0,0,0,0|2,0,1]=3 3 B6R1.2 IC1=CNN=N1 AT22836 [0,0,0,0,0,0|2,0,0]=2 4 B6R1.2 NC1=COC=C1 AC9528 [0,0,0,0,0,0|3,0,0]=3 5 B6R1.2 NC1=NSN=C1 AT12134 [0,0,0,0,0,0|3,0,0]=3 6 B6R1.2 O=C1C=COC1 D75288 [0,0,0,0,0,0|3,0,1]=4 7 B6R1.2 OC1=CC=CS1 AC4704 [0,0,0,0,0,0|4,0,0]=4 8 B6R1.2 SC1=NN=CO1 AT18825 [0,0,0,0,0,0|4,0,0]=4 9 B7R1.1 BrCC1=NNN=N1 AT24292 [0,1,0,0,0,0|2,0,0]=3 10 B7R1.1 BrCC1=NON=C1 D73995 [0,1,0,0,0,0|2,0,0]=3 11 B7R1.1 CCC1=NNC=C1 D77034 [0,1,0,0,0,0|2,0,0]=3 12 B7R1.1 CNC1=CN=CN1 57325 [0,1,0,0,0,0|2,0,0]=3 13 B7R1.1 CNC1=NN=CN1 AT21326 [0,1,0,0,0,0|3,0,0]=4 14 B7R1.1 COC1=CNC=N1 AT24767 [0,1,0,0,0,0|2,0,0]=3 15 B7R1.1 COC1=CNN=C1 AT16003 [0,1,0,0,0,0|0,0,0]=1 16 B7R1.1 CSC1=NNC=C1 W10957 [0,1,0,0,0,0|2,0,0]=3 17 B7R1.1 ClCC1=NSN=C1 AT12132 [0,1,0,0,0,0|2,0,0]=3 18 B7R1.1 NCC1=CC=NS1 C77431 [0,1,0,0,0,0|2,0,0]=3 19 B7R1.1 NCC1=CN=CO1 P10824 [0,1,0,0,0,0|2,0,0]=3 20 B7R1.1 NCC1=CON=C1 P10602 [0,1,0,0,0,0|1,0,0]=2 21 B7R1.1 NCC1=NN=CS1 AT18927 [0,1,0,0,0,0|3,0,0]=4 22 B7R1.1 NCC1=NSN=C1 AT12135 [0,1,0,0,0,0|2,0,0]=3 23 B7R1.1 O=CC1=CC=NO1 C73163 [0,1,0,0,0,0|2,0,1]=4 24 B7R1.1 O=CC1=NON=C1 D74167 [0,1,0,0,0,0|2,0,1]=4 25 B7R1.1 O=CC1=NSN=C1 AT12124 [0,1,0,0,0,0|2,0,1]=4 26 B7R1.1 OCC1=NN=CS1 AT19532 [0,1,0,0,0,0|3,0,0]=4 27 B7R1.1 OCC1=NSN=C1 AT12125 [0,1,0,0,0,0|2,0,0]=3 28 B7R1.2 CC1=CC=C(N)S1 32908 [0,1,0,0,0,0|3,0,0]=4 29 B7R1.2 CC1=CN(N)C=C1 AT24000 [0,1,0,0,0,0|1,0,0]=2 30 B7R1.2 CC1=CN=C(Br)O1 F20659 [0,1,0,0,0,0|2,0,0]=3 31 B7R1.2 CC1=CN=C(N)N1 28111 [0,1,0,0,0,0|2,0,0]=3 32 B7R1.2 CC1=COC(Cl)=N1 AT18557 [0,1,0,0,0,0|3,0,0]=4 33 B7R1.2 CC1=NC(Br)=NS1 AT11963 [0,1,0,0,0,0|3,0,0]=4 34 B7R1.2 CC1=NOC(Br)=C1 AT19745 [0,1,0,0,0,0|3,0,0]=4 35 B7R1.2 CN1C=CC(S)=N1 AT15835 [0,1,0,0,0,0|3,0,0]=4 36 B7R1.2 CN1N=CC(N)=N1 AC9457 [0,1,0,0,0,0|2,0,0]=3 37 B7R1.2 NC1=CC(Br)=NO1 D72556 [0,1,0,0,0,0|3,0,0]=4 38 B7R1.2 NC1=CC(F)=CS1 AT16866 [0,1,0,0,0,0|3,0,0]=4 39 B7R1.2 NC1=CSC(Br)=C1 P11848 [0,1,0,0,0,0|3,0,0]=4 40 B7R1.2 NC1=NC=C(Br)O1 D76175 [0,1,0,0,0,0|3,0,0]=4 41 B7R1.4 BrC1=NSC=C1I AT21082 [0,1,0,0,0,0|2,0,0]=3 42 B7R1.4 CC1=C(Br)N=CO1 AT18589 [0,1,0,0,0,0|2,0,0]=3 43 B7R1.4 CC1=C(Br)N=CO1 AT26832 [0,1,0,0,0,0|2,0,0]=3 44 B7R1.4 CC1=C(Br)OC=N1 AT18669 [0,1,0,0,0,0|3,0,0]=4 45 B7R1.4 CC1=C(Br)OC=N1 AT18693 [0,1,0,0,0,0|3,0,0]=4 46 B7R1.4 CC1=C(Br)SN=C1 C15876 [0,1,0,0,0,0|1,0,0]=2 47 B7R1.4 CC1=C(N)C=CS1 86771 [0,1,0,0,0,0|3,0,0]=4 48 B7R1.4 CC1=C(N)C=CS1 AT25979 [0,1,0,0,0,0|3,0,0]=4 49 B7R1.4 CC1=C(N)SN=C1 AT21117 [0,1,0,0,0,0|1,0,0]=2 50 B7R1.4 CC1=C(O)C=CS1 AT26691 [0,1,0,0,0,0|3,0,0]=4 51 B7R1.4 CC1=CON=C1Br 95082 [0,1,0,0,0,0|1,0,0]=2 52 B7R1.4 C[C@H]1CCNC1=O D72756 [0,1,0,0,0,0|1,0,2]=4 53 B7R1.4 C[C@H]1CONC1=O D73580 [0,1,0,0,0,0|1,0,2]=4 54 B7R1.4 FC1=C(Br)SC=C1 AT16344 [0,1,0,0,0,0|3,0,0]=4 55 B7R1.4 IC1=C(I)NN=N1 AT22830 [0,1,0,0,0,0|2,0,0]=3 56 B7R1.4 NC1=C(Br)C=NO1 AT19727 [0,1,0,0,0,0|2,0,0]=3 57 B7R1.4 NC1=C(Br)C=NS1 AT21096 [0,1,0,0,0,0|2,0,0]=3 58 B7R1.4 NC1=C(Br)N=CS1 92248 [0,1,0,0,0,0|3,0,0]=4 59 B7R1.4 NC1=C(Br)SC=C1 AT14950 [0,1,0,0,0,0|3,0,0]=4 60 B7R1.4 NC1=C(Br)SC=N1 92252 [0,1,0,0,0,0|3,0,0]=4 61 B7R1.4 NC1=C(F)NN=C1 C92333 [0,1,0,0,0,0|1,0,0]=2 62 B7R1.4 NC1=CSC=C1Br P13982 [0,1,0,0,0,0|3,0,0]=4 63 B7R1.4 NC1=CSC=C1Cl P10601 [0,1,0,0,0,0|3,0,0]=4 64 B7R1.4 NC1=CSN=C1Br AT21080 [0,1,0,0,0,0|2,0,0]=3 65 B7R1.4 NC1=NON=C1I D74171 [0,1,0,0,0,0|3,0,0]=4 66 B7R1.4 NC1=NSC=C1Br AT26505 [0,1,0,0,0,0|2,0,0]=3 67 B7R1.4 NC1=NSN=C1Br AT12139 [0,1,0,0,0,0|3,0,0]=4 68 B7R1.4 O=C1CCNC1=O AT24684 [0,1,0,0,0,0|2,0,1]=4 69 B7R1.4 OC1=NOC=C1Br AT19728 [0,1,0,0,0,0|2,0,0]=3 70 B7R1.4 OC1=NSC=C1Br AT11778 [0,1,0,0,0,0|2,0,0]=3 71 B5R0.1 C=C(C)C#CC AT18764 [0,0,1,0,0,0|2,0,1]=4 72 B5R1.2 C[C@H]1CCN1 S11047 [0,0,0,0,1,0|1,0,2]=4 73 B7R1.3 SC1=CN=CC=C1 AT26584 [0,0,0,0,0,1|2,0,0]=3 74 B4R0.1 CN(N)C=O D74578 [1,0,1,0,0,0|2,0,0]=4 75 B8R1.2 C[13CH2]C1=CC=CC=C1 D98792 [0,1,0,0,0,1|2,0,0]=4 76 B8R1.2 NCC1=CN=NC=C1 F10917 [0,1,0,0,0,1|0,0,1]=3 77 B8R1.2 NNC1=CN=NC=C1 AT13036 [0,1,0,0,0,1|1,0,1]=4 78 B8R1.3 CC1=NN=C(S)C=C1 AT17805 [0,1,0,0,0,1|2,0,0]=4 79 B8R1.3 FC1=CN=C(S)C=C1 AT18757 [0,1,0,0,0,1|2,0,0]=4 80 B8R1.4 CC1=CC(I)=CN=C1 D76269 [0,1,0,0,0,1|1,0,0]=3 81 B8R1.4 FC1=CC=NC(Br)=N1 AT18238 [0,1,0,0,0,1|2,0,0]=4 82 B8R1.4 FC1=CC=NC(Cl)=N1 D77150 [0,1,0,0,0,1|2,0,0]=4 83 B8R1.4 NC1=CC(Br)=NN=C1 D76213 [0,1,0,0,0,1|1,0,1]=4 84 B8R1.4 SC1=CC(Cl)=CN=C1 AT19856 [0,1,0,0,0,1|2,0,0]=4 85 B8R1.5 BrC1=C(I)C=NC=N1 C11129 [0,1,0,0,0,1|1,0,1]=4 86 B8R1.5 CC1=C(Br)C=NN=C1 F53722 [0,1,0,0,0,1|0,0,1]=3 87 B8R1.5 CC1=C(N)C=CN=N1 F13599 [0,1,0,0,0,1|1,0,1]=4 88 B8R1.5 CC1=C(N)C=CN=N1 F13600 [0,1,0,0,0,1|1,0,1]=4 89 B8R1.5 CC1=CN=NC=C1N P19176 [0,1,0,0,0,1|0,0,1]=3 90 B8R1.5 CC1=NN=NN=C1N C70565 [0,1,0,0,0,1|1,0,1]=4 91 B8R1.5 CN1C=CC=NC1=O AT19342 [0,1,0,0,0,1|2,0,0]=4 92 B8R1.5 CN1C=NC=CC1=O D77055 [0,1,0,0,0,1|2,0,0]=4 93 B8R1.5 NC1=C(N)N=NC=C1 S10921 [0,1,0,0,0,1|1,0,1]=4 94 B8R1.5 NC1=C(S)C=NC=C1 P12634 [0,1,0,0,0,1|2,0,0]=4 95 B8R1.5 O=C1NCCC=C1Br AC9842 [0,1,0,0,0,1|2,0,0]=4 96 B8R1.5 O=C1NCCC=C1Cl 88829 [0,1,0,0,0,1|2,0,0]=4 97 B8R1.5 OC1=C(Br)C=NN=C1 D72174 [0,1,0,0,0,1|1,0,1]=4 98 B8R1.5 OC1=C(F)C=CN=C1 98163 [0,1,0,0,0,1|2,0,0]=4 99 B8R1.1 CC1=CC(C=O)=NS1 F14135 [0,2,0,0,0,0|2,0,0]=4 100 B8R1.1 CC1=CC(CN)=CS1 D76884 [0,2,0,0,0,0|2,0,0]=4 101 B8R1.1 CC1=COC(C=O)=C1 P11782 [0,2,0,0,0,0|2,0,0]=4 102 B8R1.1 CC1=COC(CN)=C1 P11789 [0,2,0,0,0,0|2,0,0]=4 103 B8R1.1 CC1=NSC(CO)=C1 AT21143 [0,2,0,0,0,0|2,0,0]=4 104 B8R1.1 CN1C=C(CO)N=N1 AC6789 [0,2,0,0,0,0|1,0,0]=3 105 B8R1.1 CN1N=CC(C=O)=N1 AT25227 [0,2,0,0,0,0|1,0,1]=4 106 B8R1.1 CN1N=CC(CN)=N1 AT25239 [0,2,0,0,0,0|1,0,0]=3 107 B8R1.1 ClCC1=CSC(Cl)=C1 AT16568 [0,2,0,0,0,0|2,0,0]=4 108 B8R1.1 NC1=NC=C(CO)O1 AT18684 [0,2,0,0,0,0|2,0,0]=4 109 B8R1.1 NCC1=CC(O)=NO1 D86836 [0,2,0,0,0,0|2,0,0]=4 110 B8R1.1 NCC1=CN=C(Br)S1 AT14675 [0,2,0,0,0,0|2,0,0]=4 111 B8R1.1 NCC1=CN=C(N)S1 W17785 [0,2,0,0,0,0|2,0,0]=4 112 B8R1.1 O=C1C=C(CBr)ON1 D73595 [0,2,0,0,0,0|2,0,0]=4 113 B8R1.1 O=CC1=CC(Cl)=CN1 P10223 [0,2,0,0,0,0|2,0,0]=4 114 B8R1.1 O=CC1=CNC(I)=C1 AC9285 [0,2,0,0,0,0|1,0,1]=4 115 B8R1.1 OCC1=CN=C(Br)N1 AT15349 [0,2,0,0,0,0|2,0,0]=4 116 B8R1.1 OCC1=CNC(Cl)=N1 AT15346 [0,2,0,0,0,0|2,0,0]=4 117 B8R1.1 OCC1=COC(Br)=C1 AT23870 [0,2,0,0,0,0|2,0,0]=4 118 B8R1.1 OCC1=NNC(Br)=C1 D75509 [0,2,0,0,0,0|2,0,0]=4 119 B8R1.7 C[C@H](N)C1=CC=NS1 AT21225 [0,2,0,0,0,0|2,0,0]=4 120 B8R1.7 C[C@H](N)C1=CN=CN1 F13260 [0,2,0,0,0,0|2,0,0]=4 121 B8R1.7 C[C@H](N)C1=CN=CO1 AT18689 [0,2,0,0,0,0|2,0,0]=4 122 B8R1.7 C[C@H](N)C1=CN=CO1 AT18691 [0,2,0,0,0,0|2,0,0]=4 123 B8R1.7 C[C@H](N)C1=CNC=N1 C91192 [0,2,0,0,0,0|2,0,0]=4 124 B8R1.7 C[C@H](N)C1=CNC=N1 C91193 [0,2,0,0,0,0|2,0,0]=4 125 B8R1.7 C[C@H](N)C1=COC=C1 N16719 [0,2,0,0,0,0|2,0,0]=4 126 B8R1.7 C[C@H](N)C1=CSC=C1 AT23262 [0,2,0,0,0,0|2,0,0]=4 127 B8R1.7 C[C@H](N)C1=CSC=C1 AT23264 [0,2,0,0,0,0|2,0,0]=4 128 B8R1.7 C[C@H](N)C1=CSN=C1 AT21218 [0,2,0,0,0,0|1,0,0]=3 129 B8R1.7 C[C@H](N)C1=NNC=C1 32103 [0,2,0,0,0,0|2,0,0]=4 130 B8R1.7 C[C@H](O)C1=CC=NS1 AT21152 [0,2,0,0,0,0|2,0,0]=4 131 B8R1.8 CNCC1=CC=NS1 AT21224 [0,2,0,0,0,0|2,0,0]=4 132 B8R1.8 N#CCC1=CN=CO1 AC7425 [0,2,0,0,0,0|2,0,0]=4 133 B8R1.8 NCCC1=CC=NO1 E73131 [0,2,0,0,0,0|2,0,0]=4 134 B8R1.8 NCCC1=CN=CO1 AT18734 [0,2,0,0,0,0|2,0,0]=4 135 B8R1.11 BrCC1=C(Br)C=NS1 AT21098 [0,2,0,0,0,0|2,0,0]=4 136 B8R1.11 BrCC1=C(Br)SN=C1 AT21112 [0,2,0,0,0,0|1,0,0]=3 137 B8R1.11 C#CC1=NC=CN1C D76704 [0,2,0,0,0,0|2,0,0]=4 138 B8R1.11 CC1=C(C=O)C=NO1 AT19886 [0,2,0,0,0,0|1,0,1]=4 139 B8R1.11 CC1=C(C=O)SN=C1 AT21137 [0,2,0,0,0,0|1,0,0]=3 140 B8R1.11 CC1=CON=C1CN 95087 [0,2,0,0,0,0|1,0,0]=3 141 B8R1.11 CC1=NOC=C1C=O C77412 [0,2,0,0,0,0|1,0,1]=4 142 B8R1.11 CC1=NOC=C1CO AT19017 [0,2,0,0,0,0|1,0,0]=3 143 B8R1.11 CC1=NON=C1C=O D74170 [0,2,0,0,0,0|2,0,0]=4 144 B8R1.11 CCC1=CON=C1N AT19778 [0,2,0,0,0,0|1,0,0]=3 145 B8R1.11 CCC1=NOC=C1N AT19803 [0,2,0,0,0,0|2,0,0]=4 146 B8R1.11 CCN1C=CN=C1N AT26762 [0,2,0,0,0,0|2,0,0]=4 147 B8R1.11 CN1C=NN=C1C=O D73389 [0,2,0,0,0,0|1,0,1]=4 148 B8R1.11 CN1N=NC=C1CO 92410 [0,2,0,0,0,0|1,0,1]=4 149 B8R1.11 COC1=C(Br)C=NO1 AT19729 [0,2,0,0,0,0|2,0,0]=4 150 B8R1.11 COC1=NSC=C1Br AT11774 [0,2,0,0,0,0|2,0,0]=4 151 B8R1.11 COC1=NSC=C1I AT11788 [0,2,0,0,0,0|2,0,0]=4 152 B8R1.11 COC1=NSC=C1N AT11779 [0,2,0,0,0,0|2,0,0]=4 153 B8R1.11 CSC1=C(N)NN=C1 AT12747 [0,2,0,0,0,0|0,0,0]=2 154 B8R1.11 N#CC1=C(Cl)NN=N1 AT25220 [0,2,0,0,0,0|1,0,1]=4 155 B8R1.11 N#CC1=CSN=C1Br AT21073 [0,2,0,0,0,0|1,0,1]=4 156 B8R1.11 NCC1=C(Br)C=NS1 AT21091 [0,2,0,0,0,0|2,0,0]=4 157 B8R1.11 NCC1=C(Br)C=NS1 AT21097 [0,2,0,0,0,0|2,0,0]=4 158 B8R1.11 NCC1=NSC=C1Br D80073 [0,2,0,0,0,0|2,0,0]=4 159 B8R1.11 O=CC1=C(Br)C=NS1 D75843 [0,2,0,0,0,0|2,0,0]=4 160 B8R1.11 O=CC1=C(Cl)C=CN1 P10927 [0,2,0,0,0,0|2,0,0]=4 161 B8R1.11 OCC1=C(Br)C=NS1 AT21093 [0,2,0,0,0,0|2,0,0]=4 162 B8R1.11 OCC1=NSC=C1Br AT21092 [0,2,0,0,0,0|2,0,0]=4 163 B8R1.18 CC1=C(O)N=C(N)S1 E70270 [0,2,0,0,0,0|2,0,0]=4 164 B8R1.18 CN1C=C(Br)C=C1N AT16239 [0,2,0,0,0,0|2,0,0]=4 165 B8R1.18 CN1C=C(Br)N=C1N 36702 [0,2,0,0,0,0|2,0,0]=4 166 B8R1.18 CN1C=C(F)C(N)=N1 AT14070 [0,2,0,0,0,0|1,0,0]=3 167 B8R1.18 CN1C=C(N)C(Cl)=N1 W17377 [0,2,0,0,0,0|1,0,0]=3 168 B8R1.18 CN1C=C(N)C(F)=N1 AT11532 [0,2,0,0,0,0|1,0,0]=3 169 B8R1.18 CN1N=C(Cl)C(Br)=N1 AT25225 [0,2,0,0,0,0|2,0,0]=4 170 B8R1.50 CC1=C(Br)N=NN1C O11162 [0,2,0,0,0,0|1,0,1]=4 171 B8R1.50 CC1=C(C)C(Br)=NO1 C11053 [0,2,0,0,0,0|1,0,0]=3 172 B8R1.50 CC1=C(I)N(C)N=C1 W18558 [0,2,0,0,0,0|0,0,0]=2 173 B8R1.50 CC1=C(N)C(Br)=NO1 AT19694 [0,2,0,0,0,0|2,0,0]=4 174 B8R1.50 CC1=C(N)C(Br)=NO1 AT19724 [0,2,0,0,0,0|2,0,0]=4 175 B8R1.50 CC1=CNN(C)C1=O AT14042 [0,2,0,0,0,0|0,0,1]=3 176 B8R1.50 CC1=NC=C(N)N1C AT15327 [0,2,0,0,0,0|2,0,0]=4 177 B8R1.50 CC1=NOC(Br)=C1C AT19747 [0,2,0,0,0,0|1,0,0]=3 178 B8R1.50 CC1=NSC(Br)=C1N AT26937 [0,2,0,0,0,0|2,0,0]=4 179 B8R1.50 CC1=NSC(C)=C1N AT21115 [0,2,0,0,0,0|2,0,0]=4 180 B8R1.50 CN1C(=O)NC=C1N AC4335 [0,2,0,0,0,0|2,0,0]=4 181 B8R1.50 CN1C(Br)=CN=C1N AT15324 [0,2,0,0,0,0|2,0,0]=4 182 B8R1.50 CN1N=CC(Cl)=C1Br AT25148 [0,2,0,0,0,0|1,0,0]=3 183 B8R1.50 CN1N=CC(F)=C1N AT13368 [0,2,0,0,0,0|1,0,0]=3 184 B8R1.50 CN1N=CC(N)=C1F AT11531 [0,2,0,0,0,0|1,0,0]=3 185 B8R1.50 CN1N=CC(O)=C1Cl AT25130 [0,2,0,0,0,0|1,0,0]=3 186 B8R1.50 CN1N=NC(Br)=C1Cl AT25224 [0,2,0,0,0,0|2,0,0]=4