0 B12R1.77 CNC1=CC=CC=C1C(=O)OC BBL027832 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.77 COC(=O)C1=CC=CC=C1OC BBL010503 [0,0,0,0,0,0|0,0,0]=0 2 B12R1.77 COC1=C(\C(N)=N\O)C=CC=C1 BBL005595 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.41 COC1=C(N=C=S)C=CC=C1 BBL027787 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.41 COC1=CC=CC=C1CCN BBL027693 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.41 COC1=CC=CC=C1N=C=O BBL027367 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.53 CNC1=NC=CC=C1C(=O)O BBL028242 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.53 COC1=C(C(=O)O)C=CC=C1 BBL036896 [1,0,0,0,0,0|0,0,0]=1 8 B11R1.53 COC1=CC=CN=C1[N+](=O)[O-] BBL009976 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.53 COC1=NC=CC=C1C(=O)O BBL011167 [1,0,0,0,0,0|1,0,0]=2 10 B11R1.53 NNC1=CC=CC=C1C(=O)O BBL019027 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.53 O=C(O)C1=C(CO)C=CC=C1 BBL018811 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.53 O=CC1=CC=CC=C1C(=O)O BBL013693 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.222 CC1=C(C(=O)NN)C=CC=C1 BBL008111 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.222 CCC(=O)C1=CC=CC=C1O BBL011846 [1,0,0,0,0,0|1,0,0]=2 15 B11R1.222 CNC(=O)C1=C(N)C=CC=C1 BBL022908 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.222 CNC(=O)C1=CC=CC=C1O BBL010949 [1,0,0,0,0,0|1,0,0]=2 17 B11R1.222 COC(=O)C1=CC=CC=C1O BBL010504 [1,0,0,0,0,0|0,0,0]=1 18 B11R1.222 COC(=O)C1=NC=CN=C1N BBL027773 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.222 C\C(=N\O)C1=C(O)C=CC=C1 BBL023001 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.222 NNC(=O)C1=C(Br)C=CC=C1 BBL008389 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.222 NNC(=O)C1=C(N)C=CC=C1 BBL008412 [1,0,0,0,0,0|3,0,0]=4 22 B11R1.222 NNC(=O)C1=C(O)C=CC=C1 BBL008416 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.222 NNC(=O)C1=CC=CC=C1Cl BBL008395 [1,0,0,0,0,0|3,0,0]=4 24 B11R1.222 NNC(=O)C1=CC=CC=C1I BBL014372 [1,0,0,0,0,0|3,0,0]=4 25 B13R1.382 COC(=O)C1=CC=CC=C1N=C=O BBL037659 [0,1,0,0,0,0|1,0,1]=3 26 B13R1.382 COC(=O)C1=CC=CC=C1N=C=S BBL027963 [0,1,0,0,0,0|1,0,1]=3 27 B13R1.2209 CNC(=O)C1=CC(N)=CC=C1OC BBL031940 [0,1,0,0,0,0|1,0,0]=2 28 B13R1.2209 COC1=C(C(=O)NN)C=C(Br)C=C1 BBL025681 [0,1,0,0,0,0|2,0,0]=3 29 B13R1.2357 COC(=O)C1=C(OC)C=CC=C1C BBL014164 [0,1,0,0,0,0|0,0,0]=1 30 B13R2.32 NN1CNC2=CC=CC=C2C1=O BBL034121 [0,0,0,1,0,0|3,0,0]=4 31 B13R2.371 CN1C=CC(=O)C2=CC=CC=C21 BBL028347 [0,0,0,1,0,0|2,0,1]=4 32 B13R2.3085 CN1C(=O)C(=O)C2=C1C=CC=C2 BBL007926 [0,0,0,1,0,0|3,0,0]=4 33 B13R2.5252 O=C1CCCCC2=CC=CC=C12 BBL027450 [0,0,0,1,0,0|2,0,0]=3 34 B13R1.91 COC1=C(NC(=O)CN)C=CC=C1 BBL011251 [0,0,0,0,0,1|2,0,0]=3 35 B10R1.4 O\N=C\C1=C(O)C=CC=C1 BBL013317 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.20 COC1=CC=CC=C1CN BBL027680 [2,0,0,0,0,0|1,0,1]=4 37 B10R1.20 COC1=CC=CC=C1NN BBL022185 [2,0,0,0,0,0|2,0,0]=4 38 B10R1.20 O=CC1=CC=CC=C1C=O BBL027435 [2,0,0,0,0,0|2,0,0]=4 39 B10R1.20 [NH3+]NC1=C(OC)C=CC=C1 BBL002895 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.61 CC(=O)C1=C(O)C=CC=C1 BBL012126 [2,0,0,0,0,0|0,0,0]=2 41 B10R1.61 NC(=O)C1=C(O)C=CC=C1 BBL016007 [2,0,0,0,0,0|1,0,0]=3 42 B10R1.61 NC(=O)C1=C(O)C=CC=N1 BBL009297 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.61 NC(=O)C1=CC=CC=C1N BBL012278 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.61 NC(C)C1=C(C)C=CC=C1 BBL036386 [2,0,0,0,0,0|1,0,1]=4 45 B10R1.61 NC1=CC=CC=C1C(=O)O BBL025605 [2,0,0,0,0,0|1,0,0]=3 46 B10R1.61 NC1=NC=CC=C1C(=O)O BBL001472 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 BBL025932 [2,0,0,0,0,0|1,0,0]=3 48 B10R1.61 O=C(O)C1=CC=CN=C1O BBL001459 [2,0,0,0,0,0|1,0,0]=3 49 B10R1.61 O=C(O)C1=CC=CN=C1S BBL005413 [2,0,0,0,0,0|1,1,0]=4 50 B10R1.61 O=C(O)C1=CC=CNC1=O BBL009636 [2,0,0,0,0,0|1,0,1]=4 51 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 BBL000698 [2,0,0,0,0,0|0,0,1]=3 52 B10R1.15 CCC(=O)C1=CC=CC=C1 BBL027754 [2,0,0,0,0,0|1,0,0]=3 53 B10R1.15 COC(=O)C1=CC=CC=C1 BBL010502 [2,0,0,0,0,0|0,0,0]=2 54 B10R1.15 NCC(=O)C1=CC=CC=C1 BBL028098 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.15 NNC(=O)C1=CC=CC=C1 BBL019079 [2,0,0,0,0,0|2,0,0]=4 56 B12R1.75 COC1=CC=CC=C1CC(C)=O BBL027726 [1,1,0,0,0,0|1,0,1]=4 57 B12R1.121 COC1=CC=CC=C1OCCBr BBL027843 [1,1,0,0,0,0|2,0,0]=4 58 B12R1.121 COC1=CC=CC=C1OCCN BBL001425 [1,1,0,0,0,0|2,0,0]=4 59 B12R1.46 COC1=C(C(=O)O)C=C(Br)C=C1 BBL023200 [1,1,0,0,0,0|0,0,0]=2 60 B12R1.46 COC1=CC=C(N)C=C1[N+](=O)[O-] BBL002666 [1,1,0,0,0,0|1,0,1]=4 61 B12R1.87 COC1=C(C(=O)Cl)C=CC=C1C BBL012044 [1,1,0,0,0,0|1,0,0]=3 62 B12R1.87 COC1=C(C(=O)O)C=CC=C1C BBL002640 [1,1,0,0,0,0|0,0,0]=2 63 B12R1.24 CC1=C(O)C(C(=O)NN)=CC=C1 BBL016688 [1,1,0,0,0,0|2,0,0]=4 64 B12R1.308 CCOC(=O)C1=CC=CC=C1N BBL027654 [1,1,0,0,0,0|1,0,0]=3 65 B12R1.354 CCC(=O)C1=CC(C)=CC=C1C BBL036405 [1,1,0,0,0,0|1,0,0]=3 66 B12R1.354 CNC(=O)C1=C(Cl)C=CC(N)=C1 BBL011781 [1,1,0,0,0,0|2,0,0]=4 67 B12R1.354 CNC(=O)C1=CC(N)=CC=C1F BBL031627 [1,1,0,0,0,0|2,0,0]=4 68 B12R1.354 COC(=O)C1=C(Cl)C=CC(Cl)=N1 BBL028362 [1,1,0,0,0,0|2,0,0]=4 69 B12R1.354 COC(=O)C1=C(O)C=CC(O)=C1 BBL013231 [1,1,0,0,0,0|0,0,0]=2 70 B12R1.354 COC(=O)C1=CC(Br)=CC=C1N BBL019638 [1,1,0,0,0,0|1,0,0]=3 71 B12R1.354 COC(=O)C1=CC(Br)=CC=C1O BBL100200 [1,1,0,0,0,0|0,0,0]=2 72 B12R1.354 COC(=O)C1=CC(Br)=CN=C1Cl BBL011233 [1,1,0,0,0,0|2,0,0]=4 73 B12R1.354 NNC(=O)C1=C(O)C=CC(Br)=C1 BBL013909 [1,1,0,0,0,0|2,0,0]=4 74 B12R1.354 NNC(=O)C1=C(O)C=CC(Cl)=C1 BBL015495 [1,1,0,0,0,0|2,0,0]=4 75 B12R1.354 NNC(=O)C1=CC(O)=CC=C1O BBL016326 [1,1,0,0,0,0|2,0,0]=4 76 B12R1.1703 CNC(=O)C1=C(Cl)C=C(N)C=C1 BBL011783 [1,1,0,0,0,0|2,0,0]=4 77 B12R1.1703 COC(=O)C1=C(O)C=C(O)C=C1 BBL036382 [1,1,0,0,0,0|0,0,0]=2 78 B12R1.1703 NNC(=O)C1=CC=C(Cl)C=C1O BBL017863 [1,1,0,0,0,0|2,0,0]=4 79 B12R1.1703 NNC(=O)C1=CC=C(O)C=C1O BBL015199 [1,1,0,0,0,0|2,0,0]=4 80 B12R1.1703 O=C(CCl)C1=CC=C(O)C=C1O BBL011800 [1,1,0,0,0,0|2,0,0]=4 81 B14R1.483 CCOC1=CC=CC=C1NC(=O)CCl BBL009400 [0,1,0,0,0,1|2,0,0]=4 82 B14R1.965 CCC1=C(NC(=O)CCCl)C=CC=C1 BBL022643 [0,1,0,0,0,1|2,0,0]=4 83 B14R1.965 CNCC(=O)NC1=C(OC)C=CC=C1 BBL011163 [0,1,0,0,0,1|1,0,0]=3 84 B14R1.965 COC1=C(NC(=O)CCCl)C=CC=C1 BBL022624 [0,1,0,0,0,1|1,0,0]=3 85 B14R1.965 COC1=C(NC(=O)CCN)C=CC=C1 BBL031402 [0,1,0,0,0,1|1,0,0]=3 86 B14R1.965 CSC1=C(NC(=O)CCCl)C=CC=C1 BBL015649 [0,1,0,0,0,1|1,1,0]=4 87 B14R1.3417 COC(=O)NC1=C(OC)C=C(N)C=C1 BBL003384 [0,1,0,0,0,1|0,0,0]=2 88 B14R1.1867 CNC1=C(C(=O)N(C)C)C=C(N)C=C1 BBL033329 [0,2,0,0,0,0|2,0,0]=4 89 B14R1.1867 COC1=CC=C(N)C=C1C(=O)N(C)C BBL031941 [0,2,0,0,0,0|1,0,0]=3 90 B14R1.2171 COC1=C(OC)C(C(=O)NN)=CC=C1 BBL017858 [0,2,0,0,0,0|2,0,0]=4 91 B14R1.263 CCOC(=O)C1=CC=CC=C1N=C=S BBL010007 [0,2,0,0,0,0|1,0,1]=4 92 B14R1.744 COC(=O)C1=C(NC(C)=O)C=CC=C1 BBL005358 [0,2,0,0,0,0|1,0,0]=3 93 B14R1.744 NNC(=O)C1=C(OC(F)F)C=CC=C1 BBL039289 [0,2,0,0,0,0|2,0,0]=4 94 B14R1.789 C=CCOC1=CC=CC=C1C(=O)NN BBL019013 [0,2,0,0,0,0|2,0,0]=4 95 B14R1.789 CCCOC1=C(C(=O)NN)C=CC=C1 BBL023114 [0,2,0,0,0,0|2,0,0]=4 96 B14R1.840 COC1=CC=CC=C1C(=O)CC(C)=O BBL036991 [0,2,0,0,0,0|1,0,0]=3 97 B14R1.707 CNC(=O)C1=C(N(C)C)C=CC(N)=C1 BBL032255 [0,2,0,0,0,0|2,0,0]=4 98 B14R1.745 COC(=O)C1=C(S(N)(=O)=O)C=CC=C1 BBL004027 [0,2,0,0,0,0|1,1,0]=4 99 B14R1.2315 COC1=CC(C(=O)CBr)=C(OC)C=C1 BBL004589 [0,2,0,0,0,0|2,0,0]=4 100 B14R1.2315 COC1=CC=C(OC)C(C(=O)CCl)=C1 BBL011915 [0,2,0,0,0,0|2,0,0]=4 101 B12R1.58 COC1=CC(C=O)=CC(OC)=C1 BBL009939 [0,0,1,1,0,0|2,0,0]=4 102 B12R2.315 COC1=CC=CC2=C1C=CN2 BBL010878 [1,0,0,1,0,0|2,0,0]=4 103 B14R2.10782 COC(=O)C1=C2C=CNC2=CC=C1 BBL013278 [0,1,0,1,0,0|1,0,1]=4 104 B10R1.149 COC(=O)C1=C(C)OC=C1 BBL011396 [1,0,0,0,1,0|1,0,0]=3 105 B10R1.149 COC(=O)C1=C(N)C=CS1 BBL010101 [1,0,0,0,1,0|2,0,0]=4 106 B10R1.149 COC(=O)C1=C(N)SC=C1 BBL016875 [1,0,0,0,1,0|2,0,0]=4 107 B10R1.149 COC(=O)C1=C(O)C=CS1 BBL040724 [1,0,0,0,1,0|1,0,0]=3 108 B10R1.149 COC(=O)C1=CC=NN1C BBL038725 [1,0,0,0,1,0|2,0,0]=4 109 B14R1.863 COC(=O)COC1=CC=CC=C1C=O BBL012653 [0,0,0,0,0,2|2,0,0]=4 110 B14R1.863 COC1=CC=CC=C1OCC(=O)NN BBL014290 [0,0,0,0,0,2|2,0,0]=4