0 B13R2.1613 COC1=C2C=CC=CC2=CC=N1 T170887 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.1613 N/N=C/1\C=COC2=C1C=CC=C2 T292575 [0,0,0,0,0,0|3,0,1]=4 2 B13R2.1613 NCC1=CC=NC2=C1C=CC=C2 CDS010363 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.1613 NNC1=C2C=CC=CC2=CN=N1 PH016716 [0,0,0,0,0,0|0,0,0]=0 4 B13R2.1613 NNC1=CC=CC2=C1N=CC=C2 CBR02445 [0,0,0,0,0,0|3,0,0]=3 5 B13R2.1613 NNC1=CC=CC2=CC=CC=C12 ANV00020 [0,0,0,0,0,0|2,0,0]=2 6 B13R2.1613 NNC1=CC=NC2=CC=CC=C12 BBO000548 [0,0,0,0,0,0|3,0,0]=3 7 B13R2.1613 NNC1=NC=NC2=CC=CC=C12 CBR00329 [0,0,0,0,0,0|2,0,0]=2 8 B13R2.1613 NNC1CCCC2=CC=CC=C12 PH019356 [0,0,0,0,0,0|2,0,2]=4 9 B13R2.1613 NNC1CCOC2=CC=CC=C12 PH019432 [0,0,0,0,0,0|3,0,1]=4 10 B12R2.1081 CC1=NCCC2=CC=CC=C12 T305197 [1,0,0,0,0,0|2,0,1]=4 11 B12R2.1081 NC1=C2C=CC=CC2=NC=N1 CBR00181 [1,0,0,0,0,0|2,0,0]=3 12 B12R2.1081 NC1=CC=CC2=C1C=CN=C2 S513253 [1,0,0,0,0,0|3,0,0]=4 13 B12R2.1081 NC1=CC=CC2=CC=CC=C12 CDS019944 [1,0,0,0,0,0|2,0,0]=3 14 B12R2.1081 NC1=CC=CC2=CC=NC=C12 CDS020140 [1,0,0,0,0,0|3,0,0]=4 15 B12R2.1081 NC1=CC=NC2=CC=CC=C12 BBO000743 [1,0,0,0,0,0|3,0,0]=4 16 B12R2.1081 NC1=CC=NC2=CC=CC=C12 CDS009704 [1,0,0,0,0,0|3,0,0]=4 17 B12R2.1081 O=C1ON=CC2=C1C=CC=C2 PH008604 [1,0,0,0,0,0|2,0,0]=3 18 B12R2.1081 OC1=CN=CC2=CC=CC=C12 CDS009938 [1,0,0,0,0,0|2,0,0]=3 19 B14R2.1073 NNC1=CC=NC2=CC(=CC=C12)Br BBO000536 [0,1,0,0,0,0|3,0,0]=4 20 B14R2.1078 NNC1=CC=NC2=C(C=CC=C12)F BBO000540 [0,1,0,0,0,0|3,0,0]=4 21 B14R2.1078 NNC1=CC=NC2=C1C=CC=C2F PH018683 [0,1,0,0,0,0|3,0,0]=4 22 B14R2.7150 C(=O)NC1=CC=CC2=C1C=CC=C2 S504084 [0,1,0,0,0,0|3,0,0]=4 23 B14R2.7150 C=CNC1=NC=CC2=C1C=CC=C2 L133914 [0,1,0,0,0,0|2,0,0]=3 24 B14R2.7150 CCOC1=NN=CC2=CC=CC=C12 T160083 [0,1,0,0,0,0|2,0,0]=3 25 B14R2.7150 CNCC1=CC=CC2=C1C=CC=C2 PH011042 [0,1,0,0,0,0|3,0,0]=4 26 B14R2.11684 CC1=CC=C2C=CC=C(C2=N1)NN PH018443 [0,1,0,0,0,0|3,0,0]=4 27 B14R2.11684 NNC1=CC=NC2=C1C=C(C=C2)F PH018682 [0,1,0,0,0,0|3,0,0]=4 28 B14R2.11684 NNC1=CC=NC2=CC=C(C=C12)Br BBO000537 [0,1,0,0,0,0|3,0,0]=4 29 B14R2.11684 NNC1=CC=NC2=CC=C(C=C12)Cl BBO000538 [0,1,0,0,0,0|3,0,0]=4 30 B14R2.11684 NNC1=CC=NC2=CC=C(C=C12)F BBO000539 [0,1,0,0,0,0|3,0,0]=4 31 B14R2.31359 NC(=O)C1=CC=CC2=C1C=CC=C2 PH011547 [0,1,0,0,0,0|3,0,0]=4 32 B12R1.77 COC1=CC=CC=C1C(=O)NN S550388 [0,0,1,0,0,0|3,0,0]=4 33 B12R1.77 NNC(=O)C1=C(C=CC=C1)CO S62120 [0,0,1,0,0,0|2,0,1]=4 34 B12R2.1 BrCC1=NOC2=CC=CC=C12 CDS008319 [0,0,0,0,1,0|3,0,0]=4 35 B12R2.1 CNC1=C2C=CC=CC2=NS1 PH012845 [0,0,0,0,1,0|2,0,0]=3 36 B12R2.1 CNC1=C2C=CC=CC2=NS1 PH019064 [0,0,0,0,1,0|2,0,0]=3 37 B12R2.1 N#CN1N=NC2=C1C=CC=C2 R426598 [0,0,0,0,1,0|2,0,1]=4 38 B12R2.1 NCC1=CNC2=C1C=CC=C2 CDS020852 [0,0,0,0,1,0|2,0,1]=4 39 B12R2.1 NCC1=CSC2=C1C=CC=C2 CDS018595 [0,0,0,0,1,0|3,0,0]=4 40 B12R2.1 NCC1=NNC2=CC=CC=C12 CDS009727 [0,0,0,0,1,0|1,0,1]=3 41 B12R2.1 NCC1=NNC2=CC=CC=C12 CDS022347 [0,0,0,0,1,0|1,0,1]=3 42 B12R2.1 NNC1CCC2=CC=CC=C12 PH019558 [0,0,0,0,1,0|1,0,2]=4 43 B12R2.315 NNC1=NC=NC2=C1C=CN2 JRD1572 [0,0,0,0,1,0|3,0,0]=4 44 B11R1.16 CN/N=C(\N)/C1=CC=CC=C1 S32353 [1,0,1,0,0,0|0,0,2]=4 45 B11R1.53 COC1=CC=CC=C1C(=N)N PH017180 [1,0,1,0,0,0|2,0,0]=4 46 B11R1.222 CC1=C(C=CC=C1)C(=O)NN R435198 [1,0,1,0,0,0|1,0,1]=4 47 B11R1.222 CC1=C(C=CC=C1)C(=O)NN S618985 [1,0,1,0,0,0|1,0,1]=4 48 B11R1.222 N/C(=N/O)/C1=C(C=CC=C1)O BOG00050 [1,0,1,0,0,0|2,0,0]=4 49 B11R1.222 NNC(=O)C1=CC=CC=C1Br S945048 [1,0,1,0,0,0|2,0,0]=4 50 B11R1.222 NNC(=O)C1=CC=CC=C1I S550361 [1,0,1,0,0,0|2,0,0]=4 51 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 R702455 [2,0,0,0,0,0|1,0,0]=3 52 B11R2.20 C1=CC2=CN=CC=C2N=C1 ADE000839 [2,0,0,0,0,0|2,0,0]=4 53 B13R2.32 CC1=C(C2=C(C=CC=C2)C=C1)N S779156 [1,1,0,0,0,0|2,0,0]=4 54 B13R2.162 CC1=CC=C2C=CN=C(C2=C1)Cl PH009950 [1,1,0,0,0,0|2,0,0]=4 55 B13R2.162 NC1=NC=NC2=C1C=C(C=C2)Br CDS007914 [1,1,0,0,0,0|2,0,0]=4 56 B13R2.328 NC1=CC2=CC=CC=C2C(=N1)Br PH009726 [1,1,0,0,0,0|2,0,0]=4 57 B13R2.328 NC1=NC(=C2C=CC=CC2=N1)N CDS001152 [1,1,0,0,0,0|2,0,0]=4 58 B13R2.328 OC1=CC2=C(C=CC=C2)C(=N1)O S943460 [1,1,0,0,0,0|2,0,0]=4 59 B13R2.342 NC1=CC=CC2=C(C=CC=C12)Br CDS014028 [1,1,0,0,0,0|2,0,0]=4 60 B13R2.342 NC1=CC=CC2=C1C=CC=C2O S706795 [1,1,0,0,0,0|2,0,0]=4 61 B13R2.371 CC1=NNC(=O)C2=CC=CC=C12 S246468 [1,1,0,0,0,0|1,0,1]=4 62 B13R2.371 NC1=CC=C(C2=C1C=CC=C2)O S57836 [1,1,0,0,0,0|2,0,0]=4 63 B13R2.371 O=C1NN=C(C2=C1C=CC=C2)Cl T160946 [1,1,0,0,0,0|1,0,1]=4 64 B13R2.371 O=C1NN=C(C2=C1C=CC=C2)[O-] S849197 [1,1,0,0,0,0|1,0,1]=4 65 B13R2.4818 CC1=CN=CC2=CC=CC(=C12)Br SYX00212 [1,1,0,0,0,0|2,0,0]=4 66 B13R2.4818 NC1=C2C(=CC=CC2=CC=C1)O T285277 [1,1,0,0,0,0|2,0,0]=4 67 B13R2.5179 NC1=C2C=CC(=CC2=CC=C1)O CDS000157 [1,1,0,0,0,0|2,0,0]=4 68 B13R2.1 CCNC1=C2C=CC=CC2=NS1 PH007426 [0,1,0,0,1,0|2,0,0]=4 69 B13R2.72 CN(C)C1=C2C=CC=CC2=NS1 PH007393 [0,1,0,0,1,0|2,0,0]=4 70 B13R2.2136 CC1=CC=C2NN=C(C2=C1)CN CDS019387 [0,1,0,0,1,0|1,0,1]=4 71 B13R2.2931 CN1N=C(C2=CC=CC=C12)CN CDS023609 [0,1,0,0,1,0|1,0,1]=4 72 B13R2.2931 N/N=C/1\CC(=O)C2=C1C=CC=C2 R956031 [0,1,0,0,1,0|1,0,1]=4 73 B15R2.68122 NC(=O)NC1=CC=CC2=CC=CC=C12 S353787 [0,2,0,0,0,0|2,0,0]=4 74 B13R2.18 NC1=C(C=CC=C1)C2=NN=CN2 S662127 [0,0,1,1,0,0|2,0,0]=4 75 B13R2.18 NC1=CC=CC=C1C2=NN=NN2 CDS020534 [0,0,1,1,0,0|1,0,1]=4 76 B11R2.1 CC1=NNC2=CC=CC=C12 CDS006326 [1,0,0,0,1,0|1,0,1]=4 77 B11R2.1 CC1=NOC2=C1C=CC=C2 T328049 [1,0,0,0,1,0|2,0,0]=4 78 B11R2.1 ClC1=NOC2=C1C=CC=C2 PH002974 [1,0,0,0,1,0|2,0,0]=4 79 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000260 [1,0,0,0,1,0|2,0,0]=4 80 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000929 [1,0,0,0,1,0|2,0,0]=4 81 B11R2.1 NC1=NNC2=C1C=CC=C2 CDS014250 [1,0,0,0,1,0|0,0,1]=3 82 B11R2.1 NC1=NNC2=CC=CN=C12 BLN00041 [1,0,0,0,1,0|1,0,1]=4 83 B11R2.1 NC1=NNC2=CN=CC=C12 BLN00042 [1,0,0,0,1,0|1,0,1]=4 84 B11R2.1 NC1=NOC2=C1C=CC=C2 CDS013958 [1,0,0,0,1,0|1,0,0]=3 85 B11R2.1 NC1=NOC2=C1C=CC=N2 CBR00108 [1,0,0,0,1,0|2,0,0]=4