0 B11R2.1 BrC1=COC2=CC=CC=C12 CDS016824 [0,0,0,0,0,0|4,0,0]=4 1 B11R2.1 BrC1=NNC2=C1C=CC=N2 BLN00006 [0,0,0,0,0,0|3,0,1]=4 2 B11R2.1 CC1=CN=C2N1C=CC=C2 SYX00420 [0,0,0,0,0,0|4,0,0]=4 3 B11R2.1 CN1C=NC2=CC=CN=C12 ADE001232 [0,0,0,0,0,0|4,0,0]=4 4 B11R2.1 ClC1=NNC2=C1C=CC=N2 BLN00021 [0,0,0,0,0,0|3,0,1]=4 5 B11R2.1 ClC1=NNC2=C1C=CC=N2 CDS020261 [0,0,0,0,0,0|3,0,1]=4 6 B11R2.1 IC1=CNC2=NC=NC=C12 ADE000075 [0,0,0,0,0,0|3,0,1]=4 7 B11R2.1 NC1=NNC2=C1C=CC=C2 CDS014250 [0,0,0,0,0,0|3,0,1]=4 8 B11R2.1 NC1=NNC2=CC=CN=C12 BLN00041 [0,0,0,0,0,0|3,0,1]=4 9 B11R2.1 NC1=NOC2=C1C=CC=C2 CDS013958 [0,0,0,0,0,0|4,0,0]=4 10 B11R2.1 NC1=NOC2=C1C=CC=N2 CBR00108 [0,0,0,0,0,0|3,0,0]=3 11 B11R2.1 SC1=CNC2=C1C=CC=C2 CDS014121 [0,0,0,0,0,0|3,0,1]=4 12 B10R2.7 C1=CC2=C(C=C1)SC=N2 R587656 [1,0,0,0,0,0|3,0,0]=4 13 B10R2.7 C1=CC2=C(C=C1)[Se]C=N2 S440051 [1,0,0,0,0,0|3,0,0]=4 14 B10R2.7 C1=CN2C=CN=C2N=C1 CDS017059 [1,0,0,0,0,0|2,0,0]=3 15 B10R2.7 C1=CN=C2C=CNC2=C1 ADE000968 [1,0,0,0,0,0|2,0,1]=4 16 B10R2.7 C1=C[N+]2=C(N=C1)SC=C2 S42812 [1,0,0,0,0,0|3,0,0]=4 17 B10R2.7 C1=C[N+]2=C(N=C1)SC=C2 S42928 [1,0,0,0,0,0|3,0,0]=4 18 B12R2.1 CNC1=C2C=CC=CC2=NS1 PH012845 [0,1,0,0,0,0|3,0,0]=4 19 B12R2.1 CNC1=C2C=CC=CC2=NS1 PH019064 [0,1,0,0,0,0|3,0,0]=4 20 B12R2.1 NCC1=CNC2=C1C=CC=C2 CDS020852 [0,1,0,0,0,0|2,0,1]=4 21 B12R2.1 NCC1=CSC2=C1C=CC=C2 CDS018595 [0,1,0,0,0,0|3,0,0]=4 22 B12R2.18 CC1=C(C2=CC=CN=C2N1)I PHB00180 [0,1,0,0,0,0|2,0,1]=4 23 B12R2.132 BrC1=CNC2=NC=C(C=C12)I ADE000897 [0,1,0,0,0,0|2,0,1]=4 24 B12R2.132 CC1=CN=C2NC=C(C2=C1)I ADE000940 [0,1,0,0,0,0|2,0,1]=4 25 B12R2.132 ClC1=CN=C2NC=C(C2=C1)I ADE000899 [0,1,0,0,0,0|2,0,1]=4 26 B12R2.132 FC1=CN=C2NC=C(C2=C1)I ADE000905 [0,1,0,0,0,0|2,0,1]=4 27 B12R2.132 NC1=NNC2=NC=C(C=C12)Br BLN00005 [0,1,0,0,0,0|2,0,1]=4 28 B12R2.203 ClC1=C2C(=CNC2=NC=C1)Br SYX00215 [0,1,0,0,0,0|2,0,1]=4 29 B12R2.203 ClC1=C2C(=CNC2=NC=C1)I ADE000946 [0,1,0,0,0,0|2,0,1]=4 30 B12R2.612 CC1=NC2=NN=C(N2C=C1)N CBR01648 [0,1,0,0,0,0|3,0,0]=4 31 B12R2.2028 CN1N=C(C2=C1N=CC=C2)N CDS013841 [0,1,0,0,0,0|2,0,1]=4 32 B10R1.61 CC1=C(C=CC=N1)C(=O)N PH011108 [0,0,1,0,0,0|3,0,0]=4 33 B12R2.24 CC1=CC2=C(C=C1)N=CC=N2 PH011260 [0,0,0,0,0,1|3,0,0]=4 34 B12R2.24 IC1=CN=C2C=CC=NC2=C1 ADE000848 [0,0,0,0,0,1|3,0,0]=4 35 B12R2.24 NC1=CC2=C(C=CC=C2)C=C1 S810606 [0,0,0,0,0,1|3,0,0]=4 36 B12R2.24 NC1=CC=C2C=CC=NC2=C1 CDS019693 [0,0,0,0,0,1|3,0,0]=4 37 B12R2.24 NC1=CN=C2C=CC=NC2=C1 ADE000870 [0,0,0,0,0,1|2,0,0]=3 38 B12R2.24 NC1=CN=C2OCCOC2=C1 ADE000038 [0,0,0,0,0,1|1,0,2]=4 39 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CDS009409 [0,0,0,0,0,1|3,0,0]=4 40 B12R2.24 OC1=CN=C2C=CC=NC2=C1 ADE000860 [0,0,0,0,0,1|3,0,0]=4 41 B12R2.1081 IC1=C2C=CC=NC2=CC=C1 CDS021135 [0,0,0,0,0,1|3,0,0]=4 42 B12R2.1081 NC1=C2C=CC=CC2=NC=N1 CBR00181 [0,0,0,0,0,1|2,0,0]=3 43 B12R2.1081 NC1=C2OCCOC2=NC=C1 ADE000026 [0,0,0,0,0,1|1,0,2]=4 44 B12R2.1081 NC1=CC=CC2=CC=CC=C12 CDS019944 [0,0,0,0,0,1|3,0,0]=4 45 B12R2.1081 NC1=CC=NC2=CC=CC=C12 BBO000743 [0,0,0,0,0,1|2,0,0]=3 46 B12R2.1081 NC1=CC=NC2=CC=CC=C12 CDS009704 [0,0,0,0,0,1|2,0,0]=3 47 B12R2.1081 OC1=CN=CC2=CC=CC=C12 CDS009938 [0,0,0,0,0,1|3,0,0]=4 48 B9R1.8 C/C=C/C1=CC=CC=N1 PH007383 [1,0,1,0,0,0|2,0,0]=4 49 B11R2.10 ClC1=NC2=C(N1)C=CC=N2 CDS010108 [1,1,0,0,0,0|2,0,0]=4 50 B11R2.36 BrC1=CN=C2OC=CC2=C1 ADE001191 [1,1,0,0,0,0|2,0,0]=4 51 B11R2.36 BrC1=NC2=C(C=CN2)C=C1 CDS022311 [1,1,0,0,0,0|1,0,1]=4 52 B11R2.36 CC1=CC2=C(N=C1)NC=C2 ADE000939 [1,1,0,0,0,0|1,0,1]=4 53 B11R2.36 ClC1=CN=C2NC=CC2=C1 ADE000883 [1,1,0,0,0,0|1,0,1]=4 54 B11R2.36 FC1=CN=C2NC=CC2=C1 ADE000902 [1,1,0,0,0,0|1,0,1]=4 55 B11R2.36 IC1=CN=C2NC=CC2=C1 ADE000885 [1,1,0,0,0,0|1,0,1]=4 56 B11R2.36 NC1=CN=C2NC=CC2=C1 ADE000889 [1,1,0,0,0,0|1,0,1]=4 57 B11R2.36 OC1=CN=C2NC=CC2=C1 ADE000886 [1,1,0,0,0,0|1,0,1]=4 58 B11R2.106 IC1=C2C=CNC2=NC=C1 ADE000928 [1,1,0,0,0,0|1,0,1]=4 59 B11R2.106 NC1=C2C=CNC2=NC=C1 ADE000973 [1,1,0,0,0,0|1,0,1]=4 60 B11R2.106 OC1=C2C=CNC2=NC=C1 ADE000935 [1,1,0,0,0,0|1,0,1]=4 61 B13R2.32 CC1=C(C=NC2=C1C=CC=C2)N R262064 [0,1,0,0,0,1|2,0,0]=4 62 B13R2.32 NC1=CN=C2C=CC=NC2=C1I ADE000871 [0,1,0,0,0,1|2,0,0]=4 63 B13R2.57 NCC1=CN=C2C=CC=CC2=C1 CDS007196 [0,1,0,0,0,1|2,0,0]=4 64 B13R2.155 NC1=CC2=CC(=CC=C2N=C1)Br BBO000553 [0,1,0,0,0,1|2,0,0]=4 65 B13R2.155 NC1=CC=C2C=CC(=O)OC2=C1 CDS022443 [0,1,0,0,0,1|2,0,0]=4 66 B13R2.3683 CC1=CC=C2C=C(C=NC2=C1)N BBO000645 [0,1,0,0,0,1|2,0,0]=4 67 B13R2.3683 CC1=CN=C2N=C(C=CC2=C1)C ADE000845 [0,1,0,0,0,1|2,0,0]=4 68 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)N R396583 [0,1,0,0,0,1|2,0,0]=4 69 B13R2.3683 CC1=NC2=NC=C(C=C2C=C1)F ADE000849 [0,1,0,0,0,1|2,0,0]=4 70 B13R2.3683 NC1=CC=C2C=C(C=NC2=N1)Br CDS019239 [0,1,0,0,0,1|2,0,0]=4 71 B13R2.3683 NC1=CN=C2C=C(C=CC2=C1)Br CDS024307 [0,1,0,0,0,1|2,0,0]=4 72 B13R2.3683 NC1=CN=C2C=C(C=CC2=C1)F CDS024308 [0,1,0,0,0,1|2,0,0]=4 73 B13R2.3683 OC1=NC2=NC=C(C=C2C=C1)Br ADE000844 [0,1,0,0,0,1|2,0,0]=4 74 B13R2.5179 NC1=CC2=CC=CC(=C2N=C1)Br BBO000641 [0,1,0,0,0,1|2,0,0]=4 75 B13R2.342 CC1=C2N=CC=C(C2=CC=C1)N BBO000078 [0,1,0,0,0,1|2,0,0]=4 76 B13R2.342 NC1=C2C=CC=C(C2=NC=C1)Br CBR00223 [0,1,0,0,0,1|2,0,0]=4 77 B13R2.342 NC1=CC=NC2=C(C=CC=C12)Cl BBO000570 [0,1,0,0,0,1|2,0,0]=4 78 B13R2.342 NC1=CC=NC2=C(C=CC=C12)F BBO000718 [0,1,0,0,0,1|2,0,0]=4 79 B13R2.371 NC1=C2C=CC=NC2=C(C=C1)O TMT00194 [0,1,0,0,0,1|2,0,0]=4 80 B13R2.1613 NCC1=CC=NC2=C1C=CC=C2 CDS010363 [0,1,0,0,0,1|2,0,0]=4 81 B13R2.1613 NNC1=CC=NC2=CC=CC=C12 BBO000548 [0,1,0,0,0,1|2,0,0]=4 82 B13R2.1613 NNC1=NC=NC2=CC=CC=C12 CBR00329 [0,1,0,0,0,1|2,0,0]=4 83 B13R2.11642 CC1=CC(=C2C(=CSC2=N1)N)C T313203 [0,2,0,0,0,0|2,0,0]=4 84 B11R2.20 C1=CN=C2N=CC=CC2=C1 CDS021459 [0,0,1,1,0,0|2,0,0]=4