0 B11R2.1 CC1=NOC2=C1C=CC=N2 8579AB [0,0,0,0,0,0|2,0,0]=2 1 B11R2.1 CC1C=CC2=C1C=CC=C2 1961AC [0,0,0,0,0,0|3,0,1]=4 2 B11R2.1 C[N+]1=CSC2=C1C=CC=C2 6111AL [0,0,0,0,0,0|3,1,0]=4 3 B11R2.1 IC1=CNC2=C1C=CC=C2 2307AJ [0,0,0,0,0,0|3,0,0]=3 4 B11R2.1 NC1=CNC2=C1C=CC=C2 8737AE [0,0,0,0,0,0|3,0,0]=3 5 B11R2.1 NC1=NNC2=C1C=CN=C2 Z5104 [0,0,0,0,0,0|3,0,0]=3 6 B11R2.1 N[C@@H]1CCC2=CC=CC=C21 0674AA [0,0,0,0,0,0|3,0,1]=4 7 B11R2.1 OC1=CSC2=CC=CC=C12 Z5532 [0,0,0,0,0,0|1,1,0]=2 8 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 V1332 [0,0,0,0,0,0|2,0,1]=3 9 B10R2.7 C1=CC2=C(CC=C2)N=C1 2529AB [1,0,0,0,0,0|3,0,0]=4 10 B10R2.7 C1=CC2=CNC=C2C=C1 0763AP [1,0,0,0,0,0|1,0,1]=3 11 B10R2.7 C1=CC2=NN=CN2N=C1 Y3145 [1,0,0,0,0,0|3,0,0]=4 12 B10R2.7 C1=CC=C2NCNC2=C1 6469AB [1,0,0,0,0,0|3,0,0]=4 13 B10R2.7 C1=CN=C2NC=CC2=C1 7845AF [1,0,0,0,0,0|3,0,0]=4 14 B10R2.7 C1=CN=C2OC=CC2=C1 Y8520 [1,0,0,0,0,0|2,0,0]=3 15 B12R2.1 NCC1=C2C=CC=CN2C=N1 4230AC [0,1,0,0,0,0|3,0,0]=4 16 B12R2.1 NCC1=CNC2=C1C=CC=C2 W4590 [0,1,0,0,0,0|3,0,0]=4 17 B12R2.1 OCC1=CNC2=CC=CC=C12 2717AD [0,1,0,0,0,0|2,0,0]=3 18 B12R2.1 OCC1=CSC2=CC=CC=C12 Y9385 [0,1,0,0,0,0|1,1,0]=3 19 B12R2.18 BrC1=C(Br)C2=CC=CC=C2O1 Z2437 [0,1,0,0,0,0|2,0,0]=3 20 B12R2.18 CN1C(=S)OC2=CC=CC=C21 Y7468 [0,1,0,0,0,0|3,0,0]=4 21 B12R2.18 O=C1OC2=C(C=CC=C2)C1=O 6525AJ [0,1,0,0,0,0|1,0,1]=3 22 B12R2.18 O[C@@H]1CC2=C(C=CC=C2)[C@H]1O Y9791 [0,1,0,0,0,0|2,0,1]=4 23 B12R2.132 BrC1=CC2=C(C=C1)NN=C2Br W6113 [0,1,0,0,0,0|2,0,0]=3 24 B12R2.132 O=C1CNC2=CC=C(Br)C=C12 9806AB [0,1,0,0,0,0|2,0,1]=4 25 B12R2.196 NC1=C2NC=C(Br)C2=CC=C1 2179AJ [0,1,0,0,0,0|3,0,0]=4 26 B12R2.196 NC1=C2OC=C(Cl)C2=CC=C1 Y8928 [0,1,0,0,0,0|2,0,0]=3 27 B12R2.203 ClC1=C2C(Br)=CNC2=CC=C1 2959AA [0,1,0,0,0,0|3,0,0]=4 28 B12R2.203 ClC1=NC=CC2=C1C(I)=NN2 X9266 [0,1,0,0,0,0|3,0,0]=4 29 B12R2.203 NC1=C2C(=CC=N1)NN=C2I W3305 [0,1,0,0,0,0|3,0,0]=4 30 B12R2.612 CC1=NNC2=C1C=CC(Br)=C2 Y4619 [0,1,0,0,0,0|2,0,0]=3 31 B12R2.612 CN1N=CC2=C1C=CC(Cl)=C2 Y5772 [0,1,0,0,0,0|3,0,0]=4 32 B12R2.612 FC1=CC2=C(C=C1)C(Br)=CN2 1860AA [0,1,0,0,0,0|3,0,0]=4 33 B12R2.2028 N=C1NC(=O)C2=C1C=CC=C2 Z6021 [0,1,0,0,0,0|1,0,2]=4 34 B10R1.15 C[C@@H](NO)C1=CC=CC=C1 0659AD [0,0,1,0,0,0|1,0,2]=4 35 B10R1.15 C[C@H](NO)C1=CC=CC=C1 9770AE [0,0,1,0,0,0|1,0,2]=4 36 B10R1.15 N#C[C@H](O)C1=CC=CC=C1 0124AA [0,0,1,0,0,0|2,0,1]=4 37 B10R1.15 N=C(NN)C1=CC=CC=C1 Y8569 [0,0,1,0,0,0|2,0,1]=4 38 B10R1.15 NCC(=O)C1=CC=CC=C1 L191 [0,0,1,0,0,0|2,0,1]=4 39 B10R1.17 C=C\C=C\C1=CC=CC=C1 1673AL [0,0,1,0,0,0|3,0,0]=4 40 B10R1.20 COC1=CC=CC=C1NN 6140AD [0,0,1,0,0,0|3,0,0]=4 41 B10R1.20 CSC1=CC=CC=C1C=O I066 [0,0,1,0,0,0|1,1,1]=4 42 B10R1.61 N=C(N)C1=NC=CC=C1Cl 2233AJ [0,0,1,0,0,0|3,0,0]=4 43 B10R1.61 NC1=CC=NC=C1C(=O)O Y7102 [0,0,1,0,0,0|3,0,0]=4 44 B10R1.61 O=C(O)C1=C(F)C=CN=C1 7628AA [0,0,1,0,0,0|3,0,0]=4 45 B10R1.61 O=C([O-])C1=CC=CC=C1O M628 [0,0,1,0,0,0|1,0,1]=3 46 B10R1.61 O=C([O-])C1=CC=CC=C1O W0024 [0,0,1,0,0,0|1,0,1]=3 47 B12R2.24 ClC1=NN=C2C=CC=CC2=C1 5859AJ [0,0,0,0,0,1|2,0,0]=3 48 B12R2.24 IC1=CC2=CC=CC=C2C=N1 Y5506 [0,0,0,0,0,1|2,0,0]=3 49 B12R2.24 N[C@@H]1COC2=CC=CC=C2C1 8695AH [0,0,0,0,0,1|2,0,1]=4 50 B12R2.24 OC1=CC2=C(C=CC=N2)C=C1 3083AL [0,0,0,0,0,1|3,0,0]=4 51 B12R2.24 OC1=CC2=CC=CC=C2C=N1 W8331 [0,0,0,0,0,1|1,0,0]=2 52 B12R2.1081 CC1=CN=NC2=C1C=CC=C2 7316AA [0,0,0,0,0,1|2,0,0]=3 53 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 Z5959 [0,0,0,0,0,1|2,0,1]=4 54 B12R2.1081 O=C1CNCC2=C1C=CC=C2 1368AJ [0,0,0,0,0,1|1,0,2]=4 55 B12R2.1081 O[C@@H]1CCCC2=C1C=CC=C2 4916AL [0,0,0,0,0,1|2,0,1]=4 56 B9R1.6 C=C(Br)C1=CC=CC=C1 V9920 [1,0,1,0,0,0|2,0,0]=4 57 B9R1.6 O=C(O)C1=CC=CN=C1 7629AF [1,0,1,0,0,0|1,0,1]=4 58 B9R1.6 O=C(O)C1=NC=CC=C1 5114AH [1,0,1,0,0,0|1,0,1]=4 59 B9R1.6 O=C([O-])C1=CC=CC=C1 M138 [1,0,1,0,0,0|0,0,2]=4 60 B9R1.6 O=C([O-])C1=CC=CC=C1 V1440 [1,0,1,0,0,0|0,0,2]=4 61 B9R1.6 O=C([O-])C1=CC=CC=C1 V1449 [1,0,1,0,0,0|0,0,2]=4 62 B9R1.6 O=C([O-])C1=CC=CC=C1 V1986 [1,0,1,0,0,0|0,0,2]=4 63 B9R1.8 O=C=NC1=CC=CC=C1 9929AF [1,0,1,0,0,0|0,0,2]=4 64 B9R1.8 O\N=C\C1=CC=CC=C1 R588 [1,0,1,0,0,0|0,0,0]=2 65 B9R1.15 OCC1=C(O)C=NC=C1 W7832 [1,0,1,0,0,0|1,0,1]=4 66 B11R1.12 CC\C(=N/O)C1=CC=CC=C1 7960AD [0,1,1,0,0,0|1,0,0]=3 67 B11R1.12 N#C\C(=C/O)C1=CC=CC=C1 7615AD [0,1,1,0,0,0|2,0,0]=4 68 B11R1.22 O\N=C(/Cl)C1=CC=C(F)C=C1 9588AJ [0,1,1,0,0,0|1,0,0]=3 69 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 8062AF [0,1,1,0,0,0|1,0,1]=4 70 B11R1.222 O\N=C(/Cl)C1=CC=CC=C1Cl 9353AD [0,1,1,0,0,0|1,0,0]=3 71 B11R1.24 OCCOC1=CC(O)=CC=C1 7909AF [0,1,1,0,0,0|1,0,1]=4 72 B11R1.28 NOCCOC1=CC=CC=C1 5219AE [0,1,1,0,0,0|1,0,1]=4 73 B11R1.28 O\N=C\C=C\C1=CC=CC=C1 Y7433 [0,1,1,0,0,0|2,0,0]=4 74 B11R1.91 CC(C)=NNC1=CC=CC=C1 8097AF [0,1,1,0,0,0|2,0,0]=4 75 B11R1.91 N=C(N)COC1=CC=CC=C1 5598AJ [0,1,1,0,0,0|2,0,0]=4 76 B11R1.91 O=C(O)C=CC1=CC=CC=C1 9667AL [0,1,1,0,0,0|2,0,0]=4 77 B11R1.91 O=C([O-])COC1=CC=CC=C1 I578 [0,1,1,0,0,0|1,0,1]=4 78 B11R1.37 COC1=C(C=O)C=C(I)C=C1 5839AB [0,1,1,0,0,0|1,0,1]=4 79 B11R1.37 COC1=C(CO)C=C(Cl)C=C1 1144AL [0,1,1,0,0,0|1,0,1]=4 80 B11R1.53 CNC1=CC=CC=C1C(=O)O 8074AF [0,1,1,0,0,0|2,0,0]=4 81 B11R1.53 NNC1=CC=CC=C1C(=O)O Z1609 [0,1,1,0,0,0|1,0,1]=4 82 B11R1.53 O=C(O)C1=C([Hg]O)C=CC=C1 7844AF [0,1,1,0,0,0|2,0,0]=4 83 B11R1.87 O=S(=O)(O)C1=C(O)C=CC=C1 7663AF [0,1,1,0,0,0|2,0,0]=4 84 B11R1.156 O=C(O)C1=C(O)N=CC=C1O X5042 [0,1,1,0,0,0|2,0,0]=4 85 B11R1.159 N=C(N)C1=CC=CC(F)=C1F 1344AJ [0,1,1,0,0,0|2,0,0]=4 86 B11R1.159 NC1=CC=CC(C(=O)O)=C1N 9418AF [0,1,1,0,0,0|2,0,0]=4 87 B11R1.166 CC1=CC(Cl)=C(C(=N)N)C=C1 1656AJ [0,1,1,0,0,0|2,0,0]=4 88 B11R1.166 CC1=CC=C(B(O)O)C(O)=C1 2171AB [0,1,1,0,0,0|2,0,0]=4 89 B11R1.166 CC1=CC=C(C(=O)O)C(O)=C1 Q197 [0,1,1,0,0,0|1,0,0]=3 90 B11R1.166 N=C(N)C1=C(F)C=C(Cl)C=C1 2757AJ [0,1,1,0,0,0|2,0,0]=4 91 B11R1.166 NC1=CC(N)=C(C(=O)O)C=C1 5297AL [0,1,1,0,0,0|2,0,0]=4 92 B11R1.166 NC1=CC=C(C(=O)O)C(O)=C1 7684AH [0,1,1,0,0,0|1,0,0]=3 93 B11R1.166 NC1=CC=C(C(=O)[O-])C(O)=C1 Q822 [0,1,1,0,0,0|1,0,1]=4 94 B11R1.166 OB(O)C1=CC=C(Br)C=C1O Z1485 [0,1,1,0,0,0|2,0,0]=4 95 B11R1.167 N=C(N)C1=CC(F)=CC=C1F 1400AJ [0,1,1,0,0,0|2,0,0]=4 96 B11R1.167 NC1=CC(C(=O)O)=C(Cl)C=C1 7841AF [0,1,1,0,0,0|2,0,0]=4 97 B11R2.10 NC1=CC2=C(C=CC=C2)O1 6755AA [1,1,0,0,0,0|1,0,0]=3 98 B11R2.36 BrC1=CC2=C(C=C1)C=NS2 3952AC [1,1,0,0,0,0|0,1,0]=3 99 B11R2.36 CC1=CN=C2NN=CC2=C1 Y3730 [1,1,0,0,0,0|2,0,0]=4 100 B11R2.36 FC1=CC2=C(C=C1)OC=C2 1825AB [1,1,0,0,0,0|1,0,0]=3 101 B11R2.36 NC1=CC2=C(C=C1)OCO2 2287AB [1,1,0,0,0,0|2,0,0]=4 102 B11R2.36 OC1=CC=C2N=NSC2=C1 Y4044 [1,1,0,0,0,0|1,1,0]=4 103 B11R2.36 OC1=CC=C2SN=NC2=C1 Y4045 [1,1,0,0,0,0|1,1,0]=4 104 B11R2.106 ClC1=CN=CC2=C1NN=C2 Y5270 [1,1,0,0,0,0|2,0,0]=4 105 B11R2.106 IC1=C2OCCC2=CC=C1 Y8502 [1,1,0,0,0,0|1,0,1]=4 106 B13R2.32 BrC1=C(Br)C2=CC=CC=C2C=N1 X5541 [0,1,0,0,0,1|2,0,0]=4 107 B13R2.155 O=C1COC2=CC=C(F)C=C2C1 6196AC [0,1,0,0,0,1|1,0,1]=4 108 B13R2.162 CC1=CC2=C(N)C=CC=C2N=N1 X3323 [0,1,0,0,0,1|2,0,0]=4 109 B13R2.162 ClC1=CC=CC2=CN=C(Cl)N=C12 Z5015 [0,1,0,0,0,1|2,0,0]=4 110 B13R2.328 NC1=CC(O)=CC2=C1C=CC=C2 V7872 [0,1,0,0,0,1|2,0,0]=4 111 B13R2.328 [O-]C1=C2C=CC=CC2=NC(O)=C1 5307AL [0,1,0,0,0,1|2,0,0]=4 112 B13R2.369 O=C1OC2=CC=CC=C2N=C1Cl 2593AB [0,1,0,0,0,1|2,0,0]=4 113 B13R2.3683 CC1=CC=C2C=C(Cl)N=CC2=C1 Z6616 [0,1,0,0,0,1|2,0,0]=4 114 B13R2.3683 O=C1COC2=CC(F)=CC=C2C1 6197AC [0,1,0,0,0,1|1,0,1]=4 115 B13R2.3683 O=C1N=CC2=CC(Br)=CC=C2N1 2476AC [0,1,0,0,0,1|1,0,1]=4 116 B13R2.5179 ClC1=C2C=NC(Br)=CC2=CC=C1 Y3036 [0,1,0,0,0,1|2,0,0]=4 117 B13R2.371 O=C1NN=C(Cl)C2=C1C=CC=C2 Y8340 [0,1,0,0,0,1|1,0,1]=4 118 B13R2.1613 BrCC1=C2C=CC=CC2=CN=C1 Y4364 [0,1,0,0,0,1|2,0,0]=4 119 B13R2.1613 NCC1=C2C=CC=CC2=CC=N1 W6115 [0,1,0,0,0,1|2,0,0]=4 120 B13R2.1613 O=CC1=NC=NC2=CC=CC=C21 5829AC [0,1,0,0,0,1|1,0,1]=4 121 B13R2.4818 O=C1C=COC2=C1C(O)=CC=C2 Y8984 [0,1,0,0,0,1|1,0,1]=4 122 B13R2.1 ClCCC1=NOC2=C1C=CC=C2 9597AH [0,2,0,0,0,0|1,0,0]=3 123 B13R2.1 NCCC1=NOC2=C1C=CC=C2 1242AJ [0,2,0,0,0,0|1,0,0]=3 124 B13R2.662 CC1=CC2=C(C=C1)C(C#N)=NN2 X3754 [0,2,0,0,0,0|2,0,0]=4 125 B13R2.2136 NCC1=NNC2=C1C=C(Br)C=C2 Y4496 [0,2,0,0,0,0|2,0,0]=4 126 B13R2.669 NCC1=CC=C2ON=C(N)C2=C1 W5795 [0,2,0,0,0,0|1,0,0]=3 127 B13R2.4857 CN1N=C(I)C2=C1C=CC=C2Cl Y6800 [0,2,0,0,0,0|2,0,0]=4 128 B13R2.2130 COC1=CC=C2C(=C1)ON=C2Cl 2241AJ [0,2,0,0,0,0|1,0,0]=3 129 B9R1.11 C\C(=N/O)C1=CC=CO1 4345AE [0,0,1,0,1,0|2,0,0]=4 130 B9R1.11 C\C(=N/O)C1=CC=CO1 4346AE [0,0,1,0,1,0|2,0,0]=4 131 B9R1.11 C\C(=N/O)C1=CC=CS1 6597AD [0,0,1,0,1,0|2,0,0]=4 132 B11R1.86 N=C(N)NC1=C(Cl)C=CC=C1 4355AJ [0,0,1,0,0,1|2,0,0]=4 133 B11R1.280 C=CC1=CC(C=C)=C(O)C=C1 S159 [0,0,1,0,0,1|2,0,0]=4