0 B12R1.308 CCNC(=O)C1=C(Cl)N=CC=C1 BBL014125 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.308 CCOC(=O)C1=CC=CC=C1N BBL027654 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.16 CCCC(=O)C1=CC=CC=C1 BBL027757 [1,0,0,0,0,0|1,0,0]=2 3 B11R1.16 CCOC(=O)C1=CC=CC=C1 BBL010500 [1,0,0,0,0,0|0,0,0]=1 4 B11R1.16 CCOC(=O)C1=CC=NC=C1 BBL013187 [1,0,0,0,0,0|1,0,0]=2 5 B11R1.16 CCOC(=O)C1=NC=CC=C1 BBL036381 [1,0,0,0,0,0|1,0,0]=2 6 B11R1.16 O=C(C[Hg]Cl)C1=CC=CC=C1 BBL036091 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.17 CCCOC1=C(N)C=CC=C1 BBL035841 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.17 CCCSC1=CC=CC=C1N BBL034973 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.222 CC1=C(C(=O)NN)C=CC=C1 BBL008111 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.222 CCC(=O)C1=CC=CC=C1O BBL011846 [1,0,0,0,0,0|0,0,0]=1 11 B11R1.222 CNC(=O)C1=C(N)C=CC=C1 BBL022908 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.222 CNC(=O)C1=CC=CC=C1O BBL010949 [1,0,0,0,0,0|1,0,0]=2 13 B11R1.222 COC(=O)C1=CC=CC=C1O BBL010504 [1,0,0,0,0,0|0,0,0]=1 14 B11R1.222 COC(=O)C1=NC=CN=C1N BBL027773 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.222 C\C(=N\O)C1=C(O)C=CC=C1 BBL023001 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.222 NNC(=O)C1=C(Br)C=CC=C1 BBL008389 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.222 NNC(=O)C1=C(N)C=CC=C1 BBL008412 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.222 NNC(=O)C1=C(O)C=CC=C1 BBL008416 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.222 NNC(=O)C1=CC=CC=C1Cl BBL008395 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.222 NNC(=O)C1=CC=CC=C1I BBL014372 [1,0,0,0,0,0|3,0,0]=4 21 B13R1.201 CC(C)NC(=O)C1=CC=CC=C1N BBL002033 [0,1,0,0,0,0|2,0,0]=3 22 B13R1.446 CCOC(=O)C1=CC(Br)=CC=C1O BBL023338 [0,1,0,0,0,0|0,0,0]=1 23 B13R1.446 CCOC(=O)C1=CC(Cl)=CN=C1Cl BBL030817 [0,1,0,0,0,0|2,0,0]=3 24 B13R1.674 C=CCNC(=O)C1=CC=CC=C1N BBL023428 [0,1,0,0,0,0|2,0,1]=4 25 B13R1.674 CCCNC(=O)C1=C(N)C=CC=C1 BBL001798 [0,1,0,0,0,0|2,0,0]=3 26 B13R1.674 NC1=CC=CC=C1C(=O)NCCO BBL023432 [0,1,0,0,0,0|2,0,0]=3 27 B13R1.1511 CCOC(=O)C1=C(N)NC(=O)N=C1 BBL028756 [0,1,0,0,0,0|3,0,0]=4 28 B13R2.328 O=C1NC2=CC=CC=C2C(=O)O1 BBL009904 [0,0,0,1,0,0|2,0,1]=4 29 B13R2.4857 O=C1OC(=O)C2=C1C=CC=C2O BBL036792 [0,0,0,1,0,0|1,0,1]=3 30 B13R2.5252 O=C1CCCCC2=CC=CC=C12 BBL027450 [0,0,0,1,0,0|2,0,0]=3 31 B11R1.199 CCOC(=O)C1=C(C)N=CN1 BBL027807 [0,0,0,0,1,0|3,0,0]=4 32 B11R1.199 CCOC(=O)C1=C(N)C=NN1 BBL008552 [0,0,0,0,1,0|3,0,0]=4 33 B11R1.199 CCOC(=O)C1=C(N)NN=C1 BBL005567 [0,0,0,0,1,0|3,0,0]=4 34 B11R1.199 CCOC(=O)C1=C(N)ON=C1 BBL027801 [0,0,0,0,1,0|3,0,0]=4 35 B11R1.199 CCOC(=O)C1=C(N)SC=C1 BBL016855 [0,0,0,0,1,0|2,0,0]=3 36 B11R1.199 CCOC(=O)C1=C(O)ON=C1 BBL035015 [0,0,0,0,1,0|2,0,0]=3 37 B13R1.470 NCCC(=O)NC1=C(Cl)C=CC=C1 BBL011195 [0,0,0,0,0,1|3,0,0]=4 38 B10R1.15 CCC(=O)C1=CC=CC=C1 BBL027754 [2,0,0,0,0,0|0,0,0]=2 39 B10R1.15 COC(=O)C1=CC=CC=C1 BBL010502 [2,0,0,0,0,0|0,0,0]=2 40 B10R1.15 NCC(=O)C1=CC=CC=C1 BBL028098 [2,0,0,0,0,0|1,0,0]=3 41 B10R1.15 NNC(=O)C1=CC=CC=C1 BBL019079 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.17 CCCNC1=CC=CC=C1 BBL012082 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.17 ClC\C=C\C1=CC=CC=C1 BBL011410 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.17 OC\C=C\C1=CC=CC=C1 BBL027413 [2,0,0,0,0,0|2,0,0]=4 45 B10R1.4 O\N=C\C1=C(O)C=CC=C1 BBL013317 [2,0,0,0,0,0|2,0,0]=4 46 B10R1.61 CC(=O)C1=C(O)C=CC=C1 BBL012126 [2,0,0,0,0,0|0,0,0]=2 47 B10R1.61 NC(=O)C1=C(O)C=CC=C1 BBL016007 [2,0,0,0,0,0|1,0,0]=3 48 B10R1.61 NC(=O)C1=C(O)C=CC=N1 BBL009297 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.61 NC(=O)C1=CC=CC=C1N BBL012278 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.61 NC1=CC=CC=C1C(=O)O BBL025605 [2,0,0,0,0,0|1,0,0]=3 51 B10R1.61 NC1=NC=CC=C1C(=O)O BBL001472 [2,0,0,0,0,0|2,0,0]=4 52 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 BBL025932 [2,0,0,0,0,0|1,0,0]=3 53 B10R1.61 O=C(O)C1=CC=CN=C1O BBL001459 [2,0,0,0,0,0|1,0,0]=3 54 B10R1.61 O=C(O)C1=CC=CN=C1S BBL005413 [2,0,0,0,0,0|1,1,0]=4 55 B10R1.61 O=C(O)C1=CC=CNC1=O BBL009636 [2,0,0,0,0,0|1,0,1]=4 56 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 BBL000698 [2,0,0,0,0,0|0,0,1]=3 57 B12R1.16 CCNC(=O)C1=CC=C(N)C=C1 BBL008264 [1,1,0,0,0,0|1,0,0]=3 58 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 BBL027799 [1,1,0,0,0,0|0,0,0]=2 59 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 BBL012166 [1,1,0,0,0,0|0,0,0]=2 60 B12R1.17 CCNC(=O)C1=CC(N)=CC=C1 BBL023674 [1,1,0,0,0,0|1,0,0]=3 61 B12R1.17 CCOC(=O)C1=CC(Cl)=NC=C1 BBL018011 [1,1,0,0,0,0|1,0,0]=3 62 B12R1.30 CCCCC(=O)C1=CC=CC=C1 BBL011454 [1,1,0,0,0,0|1,0,0]=3 63 B12R1.24 CC1=C(O)C(C(=O)NN)=CC=C1 BBL016688 [1,1,0,0,0,0|2,0,0]=4 64 B12R1.77 CNC1=CC=CC=C1C(=O)OC BBL027832 [1,1,0,0,0,0|1,0,0]=3 65 B12R1.77 COC(=O)C1=CC=CC=C1OC BBL010503 [1,1,0,0,0,0|0,0,0]=2 66 B12R1.354 CCC(=O)C1=CC(C)=CC=C1C BBL036405 [1,1,0,0,0,0|1,0,0]=3 67 B12R1.354 CNC(=O)C1=C(Cl)C=CC(N)=C1 BBL011781 [1,1,0,0,0,0|2,0,0]=4 68 B12R1.354 CNC(=O)C1=CC(N)=CC=C1F BBL031627 [1,1,0,0,0,0|2,0,0]=4 69 B12R1.354 COC(=O)C1=C(Cl)C=CC(Cl)=N1 BBL028362 [1,1,0,0,0,0|2,0,0]=4 70 B12R1.354 COC(=O)C1=C(O)C=CC(O)=C1 BBL013231 [1,1,0,0,0,0|0,0,0]=2 71 B12R1.354 COC(=O)C1=CC(Br)=CC=C1N BBL019638 [1,1,0,0,0,0|1,0,0]=3 72 B12R1.354 COC(=O)C1=CC(Br)=CC=C1O BBL100200 [1,1,0,0,0,0|0,0,0]=2 73 B12R1.354 COC(=O)C1=CC(Br)=CN=C1Cl BBL011233 [1,1,0,0,0,0|2,0,0]=4 74 B12R1.354 NNC(=O)C1=C(O)C=CC(Br)=C1 BBL013909 [1,1,0,0,0,0|2,0,0]=4 75 B12R1.354 NNC(=O)C1=C(O)C=CC(Cl)=C1 BBL015495 [1,1,0,0,0,0|2,0,0]=4 76 B12R1.354 NNC(=O)C1=CC(O)=CC=C1O BBL016326 [1,1,0,0,0,0|2,0,0]=4 77 B12R1.1703 CNC(=O)C1=C(Cl)C=C(N)C=C1 BBL011783 [1,1,0,0,0,0|2,0,0]=4 78 B12R1.1703 COC(=O)C1=C(O)C=C(O)C=C1 BBL036382 [1,1,0,0,0,0|0,0,0]=2 79 B12R1.1703 NNC(=O)C1=CC=C(Cl)C=C1O BBL017863 [1,1,0,0,0,0|2,0,0]=4 80 B12R1.1703 NNC(=O)C1=CC=C(O)C=C1O BBL015199 [1,1,0,0,0,0|2,0,0]=4 81 B12R1.1703 O=C(CCl)C1=CC=C(O)C=C1O BBL011800 [1,1,0,0,0,0|1,0,0]=3 82 B12R1.144 CC(C)OC(=O)C1=C(N)SC=C1 BBL016877 [0,1,0,0,1,0|2,0,0]=4 83 B12R1.313 CCOC(=O)C1=C(N)SC(C)=C1 BBL015794 [0,1,0,0,1,0|2,0,0]=4 84 B12R1.460 CCCOC(=O)C1=C(N)SC=C1 BBL018081 [0,1,0,0,1,0|2,0,0]=4 85 B12R1.1589 CCOC(=O)C1=C(N)SC=C1C BBL000482 [0,1,0,0,1,0|2,0,0]=4 86 B14R1.965 CNCC(=O)NC1=C(OC)C=CC=C1 BBL011163 [0,1,0,0,0,1|2,0,0]=4 87 B14R1.965 COC1=C(NC(=O)CCCl)C=CC=C1 BBL022624 [0,1,0,0,0,1|2,0,0]=4 88 B14R1.965 COC1=C(NC(=O)CCN)C=CC=C1 BBL031402 [0,1,0,0,0,1|2,0,0]=4 89 B14R1.6823 CCCC(=O)NC1=C(Cl)C=C(N)C=C1 BBL000060 [0,1,0,0,0,1|2,0,0]=4 90 B14R1.587 CCC(C)NC(=O)C1=CC=CC=C1N BBL023248 [0,2,0,0,0,0|2,0,0]=4 91 B14R1.840 COC1=CC=CC=C1C(=O)CC(C)=O BBL036991 [0,2,0,0,0,0|1,0,1]=4 92 B14R1.4451 CC(C)(C)NC(=O)C1=CC=CC=C1N BBL002089 [0,2,0,0,0,0|2,0,0]=4 93 B14R1.6048 CC(C)NC(=O)C1=C(Cl)C=C(N)C=C1 BBL031286 [0,2,0,0,0,0|2,0,0]=4 94 B14R1.6048 CC(C)OC(=O)C1=CC=C(N)C=C1Cl BBL018105 [0,2,0,0,0,0|1,0,0]=3 95 B14R1.6052 CC(C)OC(=O)C1=C(Cl)C=CC(N)=C1 BBL030325 [0,2,0,0,0,0|1,0,0]=3 96 B14R1.6052 CC(C)OC(=O)C1=C(F)C=CC(N)=C1 BBL032162 [0,2,0,0,0,0|1,0,0]=3 97 B14R1.918 CCCOC(=O)C1=C(Cl)C=CC(N)=C1 BBL031314 [0,2,0,0,0,0|1,0,0]=3 98 B14R1.918 NC1=CC(C(=O)NCCO)=C(Cl)C=C1 BBL011179 [0,2,0,0,0,0|2,0,0]=4 99 B14R1.263 CCOC(=O)C1=CC=CC=C1N=C=S BBL010007 [0,2,0,0,0,0|0,1,0]=3 100 B14R1.1035 COCCNC(=O)C1=CC=CC=C1N BBL023415 [0,2,0,0,0,0|2,0,0]=4 101 B14R1.2523 NC1=CC(Cl)=C(C(=O)NCCO)C=C1 BBL011187 [0,2,0,0,0,0|2,0,0]=4 102 B14R1.18811 CCOC(=O)C1=C(C)OC(=O)C=C1C BBL010916 [0,2,0,0,0,0|2,0,0]=4 103 B12R1.283 CCOC1=NC=CC=C1C(=O)O BBL000650 [0,0,1,1,0,0|2,0,0]=4 104 B12R2.1081 O=C1CCCC2=CC=CC=C12 BBL027352 [1,0,0,1,0,0|1,0,0]=3 105 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 BBL027331 [1,0,0,1,0,0|1,0,0]=3 106 B14R2.4633 NC1=CC=CC=C1C(=O)NC2CC2 BBL013210 [0,1,0,1,0,0|2,0,0]=4 107 B10R1.11 CCCC(=O)C1=CC=CS1 BBL037633 [1,0,0,0,1,0|2,0,0]=4 108 B10R1.11 CCOC(=O)C1=CC=CO1 BBL001830 [1,0,0,0,1,0|1,0,0]=3 109 B10R1.11 CCOC(=O)C1=NNC=C1 BBL005520 [1,0,0,0,1,0|2,0,0]=4 110 B10R1.149 COC(=O)C1=C(C)OC=C1 BBL011396 [1,0,0,0,1,0|2,0,0]=4 111 B10R1.149 COC(=O)C1=C(N)C=CS1 BBL010101 [1,0,0,0,1,0|2,0,0]=4 112 B10R1.149 COC(=O)C1=C(N)SC=C1 BBL016875 [1,0,0,0,1,0|2,0,0]=4 113 B10R1.149 COC(=O)C1=C(O)C=CS1 BBL040724 [1,0,0,0,1,0|1,0,0]=3