0 B14R2.781 CC(=O)C1COC2=C(C=CC=C2)O1 BBL028620 [0,0,0,0,0,0|2,0,2]=4 1 B14R2.781 CC(N)C1=CC=C2C=CC=CC2=C1 BBL017838 [0,0,0,0,0,0|1,0,1]=2 2 B14R2.781 CN(C)C1=CC2=CC=CN=C2C=C1 BBL030041 [0,0,0,0,0,0|3,0,0]=3 3 B14R2.781 O=C(O)C1=CC2=CC=CC=C2OC1 BBL028382 [0,0,0,0,0,0|2,0,1]=3 4 B14R2.781 O=C(O)C1=CC=C2N=CC=NC2=C1 BBL029360 [0,0,0,0,0,0|3,0,0]=3 5 B14R2.781 O=[N+]([O-])C1=CC2=CC=CN=C2C=C1 BBL034646 [0,0,0,0,0,0|3,0,0]=3 6 B13R2.57 COC1=CC2=CC=CN=C2C=C1 BBL027610 [1,0,0,0,0,0|2,0,0]=3 7 B13R2.57 NCC1=NC2=CC=CC=C2C=C1 BBL040738 [1,0,0,0,0,0|2,0,1]=4 8 B13R2.57 O=CC1=NC2=C(C=CC=C2)N=C1 BBL011757 [1,0,0,0,0,0|2,0,0]=3 9 B15R2.627 CC(=O)C1=C(O)C2=CC=CC=C2C=C1 BBL012750 [0,1,0,0,0,0|0,0,0]=1 10 B15R2.627 NC1=C(C(=O)O)C=NC2=CC=CC=C21 BBL031107 [0,1,0,0,0,0|2,0,0]=3 11 B15R2.627 O=C(O)C1=C(O)C2=CC=CC=C2N=C1 BBL013879 [0,1,0,0,0,0|2,0,0]=3 12 B15R2.627 O=C(O)C1=C(O)C2=CN=CC=C2N=C1 BBL034925 [0,1,0,0,0,0|3,0,0]=4 13 B15R2.627 O=C(O)C1=CC=C2C=CC=CC2=C1O BBL027444 [0,1,0,0,0,0|1,0,0]=2 14 B15R2.627 O=C(O)C1=CN=C2C=CC=CN2C1=O BBL005198 [0,1,0,0,0,0|3,0,0]=4 15 B15R2.984 CC(=O)C1=CC2=CC=CC=C2OC1=O BBL008903 [0,1,0,0,0,0|1,0,0]=2 16 B15R2.984 CC1=C(C(=O)O)SC2=CC=CC=C2N1 BBL029837 [0,1,0,0,0,0|3,0,0]=4 17 B15R2.984 O=C(O)C1=C(O)C=C2C=CC=CC2=C1 BBL011509 [0,1,0,0,0,0|1,0,0]=2 18 B15R2.984 O=C(O)C1=CC2=C(C=CC=C2)OC1=O BBL005487 [0,1,0,0,0,0|2,0,0]=3 19 B15R2.1601 CNC(C)C1=CC2=CC=CC=C2C=C1 BBL022963 [0,1,0,0,0,0|1,0,1]=3 20 B15R2.1601 COC(=O)C1=NC=C2C=CC=CC2=C1 BBL037033 [0,1,0,0,0,0|1,0,0]=2 21 B15R2.1601 NC(CO)C1=CC2=CC=CC=C2C=C1 BBL021563 [0,1,0,0,0,0|1,0,1]=3 22 B15R2.1601 NNC(=O)C1=CC2=CC=CC=C2C=C1 BBL001791 [0,1,0,0,0,0|1,0,0]=2 23 B15R2.1601 O=C(CBr)C1=CC=C2C=CC=CC2=C1 BBL027448 [0,1,0,0,0,0|0,0,0]=1 24 B15R2.4441 O=S(=O)(Cl)C1=CC=C2C=CC=CC2=C1 BBL027447 [0,1,0,0,0,0|2,0,0]=3 25 B15R2.4441 O=S(=O)([O-])C1=CC2=CC=CC=C2C=C1 BBL035530 [0,1,0,0,0,0|2,0,0]=3 26 B15R2.7180 CC1=CC2=C(C=C1)N=C(C(N)=S)C=C2 BBL040727 [0,1,0,0,0,0|2,1,0]=4 27 B15R2.13598 O=C(O)C1=CC=C2C(=O)NC=NC2=C1 BBL100001 [0,1,0,0,0,0|3,0,0]=4 28 B15R2.14951 O=C(O)C1=CC(=O)C2=CC=CC=C2O1 BBL011801 [0,1,0,0,0,0|2,0,0]=3 29 B15R2.14951 O=C(O)C1=NC2=CC=CC=C2C(O)=C1 BBL027606 [0,1,0,0,0,0|2,0,0]=3 30 B13R1.74 C=CCOC1=CC=C(C(=O)O)C=C1 BBL023223 [0,0,1,0,0,0|2,0,1]=4 31 B13R1.74 C=CCOC1=CC=C(C(C)=O)C=C1 BBL017132 [0,0,1,0,0,0|1,0,1]=3 32 B13R1.74 O=C\C=C\C1=CC=C([N+](=O)[O-])C=C1 BBL023104 [0,0,1,0,0,0|3,0,0]=4 33 B13R1.90 COC1=CC=CC=C1\C=C\C(=O)Cl BBL015045 [0,0,1,0,0,0|2,0,1]=4 34 B13R1.90 OC(=O)\C=C\C1=CC=CC=C1OC BBL013998 [0,0,1,0,0,0|2,0,1]=4 35 B13R1.568 C=CCOC1=CC(C(C)=O)=CC=C1 BBL017141 [0,0,1,0,0,0|1,0,1]=3 36 B13R2.430 CC(=O)C1=CC2=C(C=C1)NCC2 BBL012012 [0,0,0,0,1,0|1,0,2]=4 37 B13R2.430 CC(=O)C1=CC2=C(C=C1)OCC2 BBL028129 [0,0,0,0,1,0|1,0,2]=4 38 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CS2 BBL010424 [0,0,0,0,1,0|3,0,0]=4 39 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 BBL018112 [0,0,0,0,1,0|2,0,0]=3 40 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 BBL040922 [0,0,0,0,1,0|3,0,0]=4 41 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)Cl BBL015052 [1,0,1,0,0,0|1,0,1]=4 42 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)O BBL013455 [1,0,1,0,0,0|1,0,1]=4 43 B12R1.125 O=C(Cl)\C=C\C1=CC=CC=C1Br BBL015050 [1,0,1,0,0,0|2,0,0]=4 44 B12R1.125 O=C(Cl)\C=C\C1=CC=CC=C1F BBL015047 [1,0,1,0,0,0|2,0,0]=4 45 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 BBL017155 [1,0,1,0,0,0|2,0,0]=4 46 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 BBL016304 [1,0,1,0,0,0|2,0,0]=4 47 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 BBL013048 [1,0,1,0,0,0|2,0,0]=4 48 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Cl BBL036324 [1,0,1,0,0,0|2,0,0]=4 49 B12R1.252 O=C([O-])\C=C\SC1=CC=CC=C1 BBL011032 [1,0,1,0,0,0|2,0,0]=4 50 B12R2.24 ClC1=CC2=C(C=C1)N=CC=C2 BBL011738 [2,0,0,0,0,0|2,0,0]=4 51 B12R2.24 SC1=CC=C2C=CC=CC2=C1 BBL013183 [2,0,0,0,0,0|0,1,0]=3 52 B14R1.4522 O=C(O)\C=C\C1=C(C(=O)O)C=CC=C1 BBL027457 [0,1,1,0,0,0|2,0,0]=4 53 B14R2.112 NCCC1=CC=C2C=CC=CC2=C1 BBL029380 [1,1,0,0,0,0|0,0,1]=3 54 B14R2.142 O=CC1=NC2=C(Cl)C=CC=C2C=C1 BBL010774 [1,1,0,0,0,0|1,0,0]=3 55 B14R2.1128 C(=O)C1=CC2=CC=CC=C2OC1C BBL010399 [1,1,0,0,0,0|1,0,1]=4 56 B14R2.1128 O=CC1=CC2=CC=CC=C2N=C1I BBL032944 [1,1,0,0,0,0|1,0,0]=3 57 B14R2.1128 O=CC1=CC2=CC=CC=C2NC1=O BBL028761 [1,1,0,0,0,0|1,0,0]=3 58 B14R2.1801 COC1=CC=C2C(N)=CC=NC2=C1 BBL030899 [1,1,0,0,0,0|2,0,0]=4 59 B14R2.95 COC(=O)C1=CNC2=NC=CC=C12 BBL031597 [0,1,0,0,1,0|2,0,0]=4 60 B14R2.95 NNC(=O)C1=CNC2=C1C=CC=C2 BBL015325 [0,1,0,0,1,0|2,0,0]=4 61 B14R2.95 NNC(=O)C1=CSC2=C1C=CC=C2 BBL016584 [0,1,0,0,1,0|2,0,0]=4 62 B14R2.300 CC1=CC2=C(C=C1)C(C(=O)Cl)=CS2 BBL037045 [0,1,0,0,1,0|2,0,0]=4 63 B14R2.966 COC(=O)C1=CC=C2NC=NC2=C1 BBL029958 [0,1,0,0,1,0|2,0,0]=4 64 B14R2.5719 CN1C=CC2=C1C=CC(C(=O)O)=C2 BBL010464 [0,1,0,0,1,0|2,0,0]=4 65 B14R2.24358 CN1C=CC2=C1C=C(C(=O)O)C=C2 BBL011817 [0,1,0,0,1,0|2,0,0]=4 66 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 BBL015172 [0,1,0,0,1,0|2,0,0]=4 67 B14R2.450 CN1C(C(=O)O)=CC2=C1C=CC=C2 BBL037008 [0,1,0,0,1,0|2,0,0]=4 68 B14R2.450 NC(=O)C1=C(Cl)C2=CC=CC=C2S1 BBL028125 [0,1,0,0,1,0|2,0,0]=4 69 B14R2.450 O=C(Cl)C1=C(Cl)C2=C(C=CC=C2)S1 BBL014254 [0,1,0,0,1,0|2,0,0]=4 70 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)S1 BBL014286 [0,1,0,0,1,0|2,0,0]=4 71 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)O1 BBL036219 [0,1,0,0,1,0|1,0,0]=3 72 B14R2.972 NNC(=O)C1=CC2=CC=CC=C2N1 BBL036127 [0,1,0,0,1,0|2,0,0]=4 73 B14R2.972 NNC(=O)C1=CC2=CC=CC=C2O1 BBL018095 [0,1,0,0,1,0|2,0,0]=4 74 B14R2.4529 CC1=CC=C2NC(C(=O)O)=CC2=C1 BBL022372 [0,1,0,0,1,0|2,0,0]=4 75 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)N1 BBL022340 [0,1,0,0,1,0|2,0,0]=4 76 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)N1 BBL022460 [0,1,0,0,1,0|2,0,0]=4 77 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)O1 BBL009658 [0,1,0,0,1,0|2,0,0]=4 78 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CC=C2O1 BBL011977 [0,1,0,0,1,0|2,0,0]=4 79 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CC=C2N1 BBL001474 [0,1,0,0,1,0|2,0,0]=4 80 B14R2.4529 O=C(O)C1=CC2=CC=C(Br)C=C2S1 BBL030761 [0,1,0,0,1,0|2,0,0]=4 81 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CC=C2N1 BBL012513 [0,1,0,0,1,0|2,0,0]=4 82 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CC=C2S1 BBL030571 [0,1,0,0,1,0|2,0,0]=4 83 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2N1 BBL022253 [0,1,0,0,1,0|2,0,0]=4 84 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2S1 BBL030767 [0,1,0,0,1,0|2,0,0]=4 85 B16R2.3989 CC(=O)CC1=NC2=CC=CC=C2NC1=O BBL029600 [0,1,0,0,0,1|2,0,0]=4 86 B16R2.6284 NC(C(=O)O)C1=CC2=CC=CC=C2C=C1 BBL008188 [0,1,0,0,0,1|1,0,0]=3 87 B16R2.1229 NNC(=O)C1=C(O)C2=CC=CC=C2C=C1 BBL013761 [0,2,0,0,0,0|1,0,0]=3 88 B16R2.12044 NC1=C(C(=O)O)C=NC2=CC=C(Cl)C=C21 BBL012827 [0,2,0,0,0,0|2,0,0]=4 89 B16R2.12044 NC1=C(C(=O)O)C=NC2=CC=C(F)C=C21 BBL012847 [0,2,0,0,0,0|2,0,0]=4 90 B16R2.12044 NC1=CC=C2N=CC(C(=O)O)=C(O)C2=C1 BBL012843 [0,2,0,0,0,0|2,0,0]=4 91 B16R2.12044 O=C(O)C1=C(O)C2=CC(Cl)=CC=C2N=C1 BBL028102 [0,2,0,0,0,0|2,0,0]=4 92 B16R2.12044 O=C(O)C1=CNC2=CC=C(F)C=C2C1=O BBL003096 [0,2,0,0,0,0|2,0,0]=4 93 B16R2.22861 NC1=C(C(=O)O)C=NC2=C(Cl)C=CC=C12 BBL012826 [0,2,0,0,0,0|2,0,0]=4 94 B16R2.22861 NC1=C(C(=O)O)C=NC2=C(F)C=CC=C12 BBL031726 [0,2,0,0,0,0|2,0,0]=4 95 B16R2.22861 O=C(O)C1=C(O)C2=CC=CC(Br)=C2N=C1 BBL029610 [0,2,0,0,0,0|2,0,0]=4 96 B16R2.22861 O=C(O)C1=C(O)C2=CC=CC(F)=C2N=C1 BBL028402 [0,2,0,0,0,0|2,0,0]=4 97 B16R2.22861 O=C(O)C1=CN=C2C(Cl)=CC=CC2=C1O BBL029101 [0,2,0,0,0,0|2,0,0]=4 98 B16R2.23331 CN1C=C(C(=O)O)C(=O)C2=CC=CC=C21 BBL029374 [0,2,0,0,0,0|2,0,0]=4 99 B16R2.23331 O=C(O)C1=C(O)C2=C(C=CC=C2)C(Br)=C1 BBL000671 [0,2,0,0,0,0|1,0,0]=3 100 B16R2.23372 O=C(O)C1=C(O)C2=CC=CC=C2NC1=O BBL030452 [0,2,0,0,0,0|2,0,0]=4 101 B16R2.133456 O=C(O)C1=C(O)C2=CC=C(Cl)C=C2N=C1 BBL027938 [0,2,0,0,0,0|2,0,0]=4 102 B16R2.1612 COC1=CC2=CC=CC=C2C=C1C(=O)O BBL009508 [0,2,0,0,0,0|1,0,0]=3 103 B16R2.23520 CC(=O)C1=CC2=CC=C(O)C=C2OC1=O BBL005231 [0,2,0,0,0,0|1,0,0]=3 104 B16R2.23521 O=C(Cl)C1=CC2=C(C=CC(Cl)=C2)OC1=O BBL014498 [0,2,0,0,0,0|2,0,0]=4 105 B16R2.23521 O=C(Cl)C1=CC2=CC(Br)=CC=C2OC1=O BBL013806 [0,2,0,0,0,0|2,0,0]=4 106 B16R2.23521 O=C(O)C1=CC2=CC(Br)=CC=C2OC1=O BBL013807 [0,2,0,0,0,0|2,0,0]=4 107 B16R2.23521 O=C(O)C1=CC2=CC(Cl)=CC=C2OC1=O BBL014105 [0,2,0,0,0,0|2,0,0]=4 108 B16R2.33941 COC(=O)C1=CC2=CC=CC=C2C=C1O BBL000072 [0,2,0,0,0,0|0,0,0]=2 109 B16R2.33941 NNC(=O)C1=C(O)C=C2C=CC=CC2=C1 BBL008413 [0,2,0,0,0,0|1,0,0]=3 110 B16R2.33941 O=C(CBr)C1=CC2=C(C=CC=C2)OC1=O BBL018887 [0,2,0,0,0,0|1,0,0]=3 111 B16R2.126889 O=C(O)C1=CC2=C(C=C1O)C(O)=CC=C2 BBL009277 [0,2,0,0,0,0|1,0,0]=3 112 B16R2.3864 NNS(=O)(=O)C1=CC2=C(C=CC=C2)C=C1 BBL016094 [0,2,0,0,0,0|2,0,0]=4 113 B16R2.33887 COC(=O)C1=CC(=O)C2=CC=CC=C2O1 BBL022615 [0,2,0,0,0,0|1,0,0]=3 114 B16R2.11987 O=S(=O)(O)C1=CC2=C(C=C1)C=C(O)C=C2 BBL034693 [0,2,0,0,0,0|2,0,0]=4 115 B16R2.23501 O=C(O)C1=CC(=O)C2=C(C=CC(Br)=C2)O1 BBL029214 [0,2,0,0,0,0|2,0,0]=4 116 B16R2.23501 O=C(O)C1=CC(=O)C2=CC(Cl)=CC=C2O1 BBL012013 [0,2,0,0,0,0|2,0,0]=4 117 B16R2.26112 CC1=NC2=C(C=C(C(=O)O)C=C2)C(O)=C1 BBL010331 [0,2,0,0,0,0|2,0,0]=4 118 B16R2.26112 CC1=NC2=CC=C(C(=O)O)C=C2C(N)=C1 BBL030534 [0,2,0,0,0,0|2,0,0]=4 119 B16R2.40082 COC1=C2C=CC=CC2=NC(C(=O)O)=C1 BBL023075 [0,2,0,0,0,0|2,0,0]=4 120 B14R2.31359 CC(N)C1=CC=CC2=C1C=CC=C2 BBL017842 [0,0,1,1,0,0|1,0,1]=4 121 B14R2.31359 O=C(O)C1=C2C=CC=NC2=CC=C1 BBL028017 [0,0,1,1,0,0|2,0,0]=4 122 B16R3.335 CC1=NC2=C3C=CC=CC3=CC=C2S1 BBL003832 [0,0,0,1,0,1|1,0,0]=3 123 B16R3.335 NC1=NC2=C(S1)C3=C(C=CC=C3)C=C2 BBL019709 [0,0,0,1,0,1|1,1,0]=4 124 B12R2.1 O=CC1=CNC2=NC=CC=C12 BBL009869 [1,0,0,0,1,0|2,0,0]=4 125 B12R2.32 O=CC1=NC2=CC=CC=C2N1 BBL028429 [1,0,0,0,1,0|2,0,0]=4 126 B14R1.818 CC(\C=C/C1=CC=CC=C1)=C\C(=O)[O-] BBL011316 [0,0,1,0,0,1|1,0,1]=4 127 B14R1.549 C(=O)\C(=C/C1=CC=CC=C1)CC(=C)C BBL011004 [0,0,1,0,0,1|2,0,0]=4