0 B13R2.435 CC(=O)C1=CC2=CC=CC=C2N1 BBS-00015469 [0,0,0,0,0,0|1,0,0]=1 1 B13R2.435 CC(=O)C1=CC2=CC=CC=C2O1 BBS-00004551 [0,0,0,0,0,0|2,0,0]=2 2 B13R2.435 CC(=O)C1=NC2=CC=CC=C2S1 BBS-00006878 [0,0,0,0,0,0|2,0,1]=3 3 B13R2.435 CC(C)C1=NC2=CC=CC=C2N1 BBS-00010748 [0,0,0,0,0,0|3,0,1]=4 4 B13R2.435 CC(Cl)C1=NC2=CC=CC=C2N1 BBS-00028657 [0,0,0,0,0,0|3,0,1]=4 5 B13R2.435 CC(N)C1=NC2=CC=CC=C2N1 BBS-00001442 [0,0,0,0,0,0|3,0,1]=4 6 B13R2.435 CC(N)C1=NC2=CC=CC=C2N1 BBS-00027971 [0,0,0,0,0,0|3,0,1]=4 7 B13R2.435 CC(N)C1=NC2=CC=CC=C2N1 BBS-00028064 [0,0,0,0,0,0|3,0,1]=4 8 B13R2.435 CC(O)C1=NC2=CC=CC=C2N1 BBS-00001406 [0,0,0,0,0,0|2,0,1]=3 9 B13R2.435 O=C(O)C1=CC2=CC=CC=C2N1 BBS-00034618 [0,0,0,0,0,0|0,0,0]=0 10 B13R2.435 O=C(O)C1=CC2=CC=CC=C2O1 BBS-00001643 [0,0,0,0,0,0|1,0,0]=1 11 B13R2.435 O=C(O)C1=CC2=CC=CC=C2S1 BBS-00020813 [0,0,0,0,0,0|1,0,0]=1 12 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 BBS-00006401 [0,0,0,0,0,0|1,0,1]=2 13 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)S1 BBS-00016756 [0,0,0,0,0,0|1,0,2]=3 14 B13R2.435 O=C(O)C1CC2=C(C=NC=C2)C1 BBS-00026237 [0,0,0,0,0,0|2,0,2]=4 15 B13R2.435 O=C(O)C1CC2=CC=CC=C2O1 BBS-00006837 [0,0,0,0,0,0|1,0,2]=3 16 B12R2.32 CCC1=NC2=CC=CC=C2N1 BBS-00012112 [1,0,0,0,0,0|2,0,1]=4 17 B12R2.32 CSC1=NC2=CC=CC=C2N1 BBS-00011044 [1,0,0,0,0,0|3,0,0]=4 18 B12R2.32 ClCC1=NC2=CC=CC=C2N1 BBS-00003999 [1,0,0,0,0,0|2,0,1]=4 19 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 BBS-00010899 [1,0,0,0,0,0|2,0,1]=4 20 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 BBS-00037081 [1,0,0,0,0,0|2,0,1]=4 21 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 BBS-00038746 [1,0,0,0,0,0|2,0,1]=4 22 B12R2.32 NNC1=NC2=CC=CC=C2N1 BBS-00004616 [1,0,0,0,0,0|3,0,0]=4 23 B12R2.32 OCC1=NC2=C(C=CC=C2)S1 BBS-00001142 [1,0,0,0,0,0|1,0,2]=4 24 B12R2.32 OCC1=NC2=CC=CC=C2N1 BBS-00009786 [1,0,0,0,0,0|1,0,1]=3 25 B12R2.32 SCC1=NC2=C(C=CC=C2)N1 BBS-00001766 [1,0,0,0,0,0|1,1,1]=4 26 B14R2.450 CC(=O)C1=C(N)C2=C(C=CC=C2)O1 BBS-00021199 [0,1,0,0,0,0|2,0,0]=3 27 B14R2.450 CC(=O)C1SC2=C(C=CC=C2)C1=O BBS-00025473 [0,1,0,0,0,0|2,0,1]=4 28 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 BBS-00007903 [0,1,0,0,0,0|1,0,0]=2 29 B14R2.450 CN1C(C(=O)O)=CC2=C1C=CC=C2 BBS-00034681 [0,1,0,0,0,0|0,0,0]=1 30 B14R2.450 NC1=C(C(=O)O)SC2=NC=CC=C21 BBS-00019734 [0,1,0,0,0,0|2,0,0]=3 31 B14R2.450 O=C(Cl)C1=C(Cl)C2=C(C=CC=C2)S1 BBS-00023760 [0,1,0,0,0,0|2,0,0]=3 32 B14R2.450 O=C(O)C1=C(Br)C2=C(C=CC=C2)[Se]1 BBS-00007330 [0,1,0,0,0,0|1,0,0]=2 33 B14R2.450 O=C(O)C1=C(Br)C2=CC=CC=C2S1 BBS-00028626 [0,1,0,0,0,0|1,0,0]=2 34 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)S1 BBS-00001585 [0,1,0,0,0,0|1,0,0]=2 35 B14R2.972 CCC(O)C1=NC2=CC=CC=C2N1 BBS-00010215 [0,1,0,0,0,0|2,0,1]=4 36 B14R2.972 COC(=O)C1=CC2=CC=CC=C2N1 BBS-00033724 [0,1,0,0,0,0|0,0,0]=1 37 B14R2.972 NNC(=O)C1=CC2=CC=CC=C2O1 BBS-00024255 [0,1,0,0,0,0|2,0,0]=3 38 B14R2.972 N\C(=N/O)C1=CC2=CC=CC=C2O1 BBS-00012365 [0,1,0,0,0,0|2,0,0]=3 39 B14R2.972 O=C(CBr)C1=CC2=C(C=CC=C2)N1 BBS-00022765 [0,1,0,0,0,0|1,0,0]=2 40 B14R2.972 O=C(CBr)C1=CC2=CC=CC=C2O1 BBS-00004078 [0,1,0,0,0,0|2,0,0]=3 41 B14R2.972 O=C(CCl)C1=CC2=CC=CC=C2O1 BBS-00006724 [0,1,0,0,0,0|2,0,0]=3 42 B14R2.3129 O=S(=O)(Cl)C1=CC2=C(C=CC=C2)O1 BBS-00032404 [0,1,0,0,0,0|2,0,1]=4 43 B14R2.3129 O=S(=O)(O)C1=NC2=CC=CC=C2N1 BBS-00000680 [0,1,0,0,0,0|2,0,0]=3 44 B14R2.4529 CC(=O)C1=CC2=C(C=C(Br)C=C2)O1 BBS-00016430 [0,1,0,0,0,0|2,0,0]=3 45 B14R2.4529 CC(=O)C1=CC2=CC(C)=CC=C2O1 BBS-00032530 [0,1,0,0,0,0|2,0,0]=3 46 B14R2.4529 CC(O)C1=NC2=CC(Cl)=CC=C2N1 BBS-00010775 [0,1,0,0,0,0|2,0,1]=4 47 B14R2.4529 CC1=CC2=C(C=C1)CC(C(=O)O)S2 BBS-00016771 [0,1,0,0,0,0|1,0,2]=4 48 B14R2.4529 CC1=CC2=NC(C(=O)O)=CN2C=C1 BBS-00037912 [0,1,0,0,0,0|1,0,1]=3 49 B14R2.4529 CC1=CC=C2OC(C(=O)O)=CC2=C1 BBS-00015676 [0,1,0,0,0,0|1,0,0]=2 50 B14R2.4529 CC1=CC=C2OC(C(=O)O)CC2=C1 BBS-00017113 [0,1,0,0,0,0|1,0,2]=4 51 B14R2.4529 CC1=CN2C=C(C(=O)O)N=C2C=C1 BBS-00030380 [0,1,0,0,0,0|1,0,1]=3 52 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)O1 BBS-00012485 [0,1,0,0,0,0|1,0,0]=2 53 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)N1 BBS-00034614 [0,1,0,0,0,0|0,0,0]=1 54 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CC=C2O1 BBS-00007932 [0,1,0,0,0,0|1,0,0]=2 55 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CC=C2S1 BBS-00030779 [0,1,0,0,0,0|1,0,0]=2 56 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CC=C2S1 BBS-00030778 [0,1,0,0,0,0|1,0,0]=2 57 B14R2.4529 O=C(O)C1=CC2=CC(F)=CC=C2O1 BBS-00015705 [0,1,0,0,0,0|1,0,0]=2 58 B14R2.4529 O=C(O)C1=CC2=CC(O)=CC=C2O1 BBS-00015674 [0,1,0,0,0,0|1,0,0]=2 59 B14R2.4529 O=C(O)C1=CC2=CC=C(Br)C=C2S1 BBS-00030782 [0,1,0,0,0,0|1,0,0]=2 60 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)C=C2S1 BBS-00030777 [0,1,0,0,0,0|1,0,0]=2 61 B14R2.4529 O=C(O)C1=CC2=CC=C(O)C=C2N1 BBS-00013064 [0,1,0,0,0,0|0,0,0]=1 62 B14R2.4529 O=C(O)C1=CN2C=C(Cl)C=CC2=N1 BBS-00031067 [0,1,0,0,0,0|1,0,1]=3 63 B14R2.4529 O=C(O)C1CC2=C(C=CC(Cl)=C2)O1 BBS-00016773 [0,1,0,0,0,0|1,0,2]=4 64 B14R2.4529 O=C(O)C1CC2=CC(Br)=CC=C2O1 BBS-00036540 [0,1,0,0,0,0|1,0,2]=4 65 B14R2.4529 O=C(O)C1CC2=CC=C(O)C=C2O1 BBS-00022013 [0,1,0,0,0,0|1,0,2]=4 66 B14R2.7969 CC1=C2OC(C(=O)O)=CC2=CC=C1 BBS-00015675 [0,1,0,0,0,0|1,0,0]=2 67 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CC=C2N1 BBS-00034611 [0,1,0,0,0,0|0,0,0]=1 68 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CC=C2S1 BBS-00030780 [0,1,0,0,0,0|1,0,0]=2 69 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2S1 BBS-00030781 [0,1,0,0,0,0|1,0,0]=2 70 B14R2.7969 O=C(O)C1=CC2=CC=CC(O)=C2O1 BBS-00032526 [0,1,0,0,0,0|1,0,0]=2 71 B14R2.7969 O=C(O)C1CC2=C(F)C=CC=C2S1 BBS-00016779 [0,1,0,0,0,0|1,0,2]=4 72 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 BBS-00033820 [0,0,1,0,0,0|1,0,2]=4 73 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O BBS-00036140 [0,0,1,0,0,0|1,0,2]=4 74 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 BBS-00034173 [0,0,1,0,0,0|1,0,2]=4 75 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O BBS-00028542 [0,0,1,0,0,0|0,0,2]=3 76 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O BBS-00039044 [0,0,1,0,0,0|0,0,2]=3 77 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 BBS-00032608 [0,0,1,0,0,0|1,0,0]=2 78 B12R1.43 O=C(O)\C(S)=C/C1=CC=CC=C1 BBS-00007612 [0,0,1,0,0,0|1,0,0]=2 79 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 BBS-00007680 [0,0,1,0,0,0|1,0,2]=4 80 B12R1.125 CC1=CC=CC=C1NCC(=O)O BBS-00009682 [0,0,1,0,0,0|0,0,2]=3 81 B12R1.125 NC(=O)CSC1=CC=CC=C1N BBS-00035669 [0,0,1,0,0,0|2,0,1]=4 82 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 BBS-00016726 [0,0,1,0,0,0|1,0,2]=4 83 B12R1.125 O=C(O)COC1=CC=CC=C1Br BBS-00001062 [0,0,1,0,0,0|2,0,1]=4 84 B12R1.125 O=C(O)COC1=CC=CC=C1Cl BBS-00007696 [0,0,1,0,0,0|2,0,1]=4 85 B12R1.125 O=C(O)COC1=CC=CC=C1F BBS-00024728 [0,0,1,0,0,0|2,0,1]=4 86 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 BBS-00006452 [0,0,1,0,0,0|1,0,0]=2 87 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1F BBS-00022953 [0,0,1,0,0,0|1,0,0]=2 88 B12R2.252 O=C(O)C1=CC2=C(C=CO2)N1 BBS-00036125 [0,0,0,0,1,0|1,0,0]=2 89 B12R2.252 O=C(O)C1=CC2=C(C=CS2)N1 BBS-00036060 [0,0,0,0,1,0|1,0,0]=2 90 B12R2.252 O=C(O)C1=CN2C=CSC2=N1 BBS-00013110 [0,0,0,0,1,0|2,0,1]=4 91 B14R2.768 N=C(N)NC1=NC2=CC=CC=C2N1 BBS-00014233 [0,0,0,0,0,1|3,0,0]=4 92 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)O1 BBS-00016607 [0,0,0,0,0,1|1,0,0]=2 93 B14R2.768 O=C(O)CC1=NC2=C(C=CC=C2)N1 BBS-00002502 [0,0,0,0,0,1|1,0,0]=2 94 B14R2.781 CC(=O)C1=CC2=CC=CN=C2C=C1 BBS-00026984 [0,0,0,0,0,1|3,0,0]=4 95 B14R2.781 O=C(O)C1=CC2=C(C=C1)N=CC=N2 BBS-00000436 [0,0,0,0,0,1|3,0,0]=4 96 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=C1 BBS-00022948 [0,0,0,0,0,1|1,0,0]=2 97 B14R2.781 O=C(O)C1=CC2=CC=CC=C2N=C1 BBS-00005333 [0,0,0,0,0,1|0,0,1]=2 98 B14R2.781 O=C(O)C1=CC2=CC=CC=C2OC1 BBS-00025344 [0,0,0,0,0,1|1,0,0]=2 99 B14R2.781 O=C(O)C1=CC=C2C=CC=NC2=C1 BBS-00005341 [0,0,0,0,0,1|2,0,0]=3 100 B14R2.781 O=C(O)C1=CC=C2N=CC=CC2=C1 BBS-00005339 [0,0,0,0,0,1|2,0,0]=3 101 B14R2.781 O=C(O)C1=CN=C2C=CC=CC2=N1 BBS-00005348 [0,0,0,0,0,1|0,0,1]=2 102 B14R2.781 O=C(O)C1=NC2=CC=CC=C2C=C1 BBS-00003779 [0,0,0,0,0,1|0,0,1]=2 103 B14R2.781 O=C(O)C1=NC2=CC=CC=C2N=N1 BBS-00036303 [0,0,0,0,0,1|1,0,1]=3 104 B14R2.781 O=C(O)C1=NC2=NC=CC=C2C=C1 BBS-00001379 [0,0,0,0,0,1|1,0,1]=3 105 B14R2.781 O=C(O)C1CCC2=CC=CC=C2N1 BBS-00029847 [0,0,0,0,0,1|0,0,2]=3 106 B14R2.781 O=C(O)C1CCC2=CC=CC=C2O1 BBS-00032416 [0,0,0,0,0,1|1,0,2]=4 107 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 BBS-00006546 [0,0,0,0,0,1|1,0,2]=4 108 B14R2.781 O=C(O)C1COC2=CC=CC=C2C1 BBS-00020784 [0,0,0,0,0,1|1,0,2]=4 109 B14R2.781 O=[N+]([O-])C1=NC2=C(C=CC=C2)N=C1 BBS-00037325 [0,0,0,0,0,1|1,0,2]=4 110 B11R1.40 C(=O)\C(Br)=C\C1=CC=CC=C1 BBS-00003210 [1,0,1,0,0,0|1,0,0]=3 111 B11R1.40 N\C(CC1=CC=CC=C1)=N/O BBS-00013429 [1,0,1,0,0,0|1,0,1]=4 112 B11R1.91 O=C(O)C#CC1=CC=CC=C1 BBS-00010651 [1,0,1,0,0,0|0,0,2]=4 113 B11R1.91 O=C(O)CCC1=CC=CC=C1 BBS-00022951 [1,0,1,0,0,0|0,0,2]=4 114 B11R1.91 O=C(O)CNC1=CC=CN=C1 BBS-00028772 [1,0,1,0,0,0|1,0,1]=4 115 B11R1.91 O=C(O)CNC1=NC=CC=C1 BBS-00025766 [1,0,1,0,0,0|1,0,1]=4 116 B11R1.91 O=C(O)COC1=CC=CC=C1 BBS-00003724 [1,0,1,0,0,0|1,0,1]=4 117 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 BBS-00027633 [1,0,1,0,0,0|0,0,0]=2 118 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 BBS-00027634 [1,0,1,0,0,0|0,0,1]=3 119 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 BBS-00027946 [1,0,1,0,0,0|1,0,1]=4 120 B11R2.10 CC1=NC2=CC=CC=C2N1 BBS-00012111 [2,0,0,0,0,0|1,0,1]=4 121 B11R2.10 O=C1CC2=CC=CC=C2N1 BBS-00020878 [2,0,0,0,0,0|0,0,1]=3 122 B11R2.10 O=C1NC2=CC=CC=C2N1 BBS-00004602 [2,0,0,0,0,0|1,0,0]=3 123 B11R2.10 OC1=NC2=CC=CC=C2N1 BBS-00028822 [2,0,0,0,0,0|1,0,0]=3 124 B11R2.10 SC1=NC2=CC=CC=C2N1 BBS-00012787 [2,0,0,0,0,0|1,1,0]=4 125 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O BBS-00028073 [0,1,1,0,0,0|0,0,2]=4 126 B13R1.133 [C@H](N)(CC1=CC=C(N)C=C1)C(=O)O BBS-00032995 [0,1,1,0,0,0|0,0,2]=4 127 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 BBS-00022915 [0,1,1,0,0,0|0,0,2]=4 128 B13R1.148 NC(CC1=CC(F)=CC=C1)C(=O)O BBS-00034069 [0,1,1,0,0,0|0,0,2]=4 129 B13R1.202 O=C(O)\C(S)=C/C1=C(Cl)C=CC=C1 BBS-00007611 [0,1,1,0,0,0|1,0,0]=3 130 B13R1.418 N#C\C(=C/C1=CC=CC=C1)C(=O)O BBS-00007761 [0,1,1,0,0,0|0,0,1]=3 131 B13R1.90 C(=O)C1=C(OCC(=O)O)C=CC=C1 BBS-00000749 [0,1,1,0,0,0|1,0,1]=4 132 B13R1.90 COC1=CC=CC=C1\C=C\C(=O)O BBS-00007900 [0,1,1,0,0,0|1,0,0]=3 133 B13R1.90 N#CC1=C(\C=C\C(=O)O)C=CC=C1 BBS-00016614 [0,1,1,0,0,0|0,0,1]=3 134 B13R1.201 CC1=CC=CC=C1\C(C)=C\C(=O)O BBS-00017191 [0,1,1,0,0,0|1,0,0]=3 135 B13R1.893 CC1=CC=C(C)C(\C=C\C(=O)O)=C1 BBS-00031928 [0,1,1,0,0,0|1,0,0]=3 136 B13R1.3787 O=C(O)\C=C\C1=C(Cl)C=CC=C1Cl BBS-00009061 [0,1,1,0,0,0|1,0,0]=3 137 B13R2.43 CC1=CC=C2NC(CO)=NC2=C1 BBS-00009837 [1,1,0,0,0,0|1,0,1]=4 138 B13R2.43 NC1=CC2=C(C=C1)NC(CO)=N2 BBS-00038240 [1,1,0,0,0,0|1,0,1]=4 139 B13R2.43 O=CC1=NC2=CC=C(Br)C=C2S1 BBS-00021133 [1,1,0,0,0,0|1,0,1]=4 140 B13R2.45 CN1C(C=O)=CC2=C1C=CC=C2 BBS-00038681 [1,1,0,0,0,0|0,0,0]=2 141 B13R2.45 CN1C2=CC=CC=C2N=C1CO BBS-00009787 [1,1,0,0,0,0|1,0,1]=4 142 B13R2.45 O=CC1=C(Cl)C2=C(C=CC=C2)O1 BBS-00001745 [1,1,0,0,0,0|1,0,0]=3 143 B13R2.400 CC1=CC2=C(C=C(C(=O)O)N2)O1 BBS-00036055 [0,1,0,0,1,0|1,0,0]=3 144 B13R2.531 COC(=O)C1=CC2=C(C=CO2)N1 BBS-00036133 [0,1,0,0,1,0|1,0,0]=3 145 B13R2.2334 CN1C(C(=O)O)=CC2=C1C=CO2 BBS-00036109 [0,1,0,0,1,0|1,0,0]=3 146 B13R2.2334 CN1C(C(=O)O)=CC2=C1C=CS2 BBS-00036056 [0,1,0,0,1,0|1,0,0]=3 147 B13R2.3678 O=C(O)C1=CC2=C(N1)C(Cl)=CS2 BBS-00036449 [0,1,0,0,1,0|1,0,0]=3 148 B15R2.629 CN1C2=CC=CC=C2N=C1CC(=O)O BBS-00028876 [0,1,0,0,0,1|1,0,0]=3 149 B15R2.629 O=C(O)CN1CC2=C(C=CC=C2)C1=O BBS-00010730 [0,1,0,0,0,1|2,0,0]=4 150 B15R2.629 O=C(O)CN1NC2=CC=CC=C2C1=O BBS-00030299 [0,1,0,0,0,1|1,0,0]=3 151 B15R2.629 O=C(O)CN1SC2=CC=CC=C2C1=O BBS-00030295 [0,1,0,0,0,1|2,0,0]=4 152 B15R2.1569 COC(=O)CC1=CN2C=CC=CC2=N1 BBS-00019830 [0,1,0,0,0,1|1,0,1]=4 153 B15R2.1569 N\C(CC1=NC2=CC=CC=C2N1)=N/O BBS-00010965 [0,1,0,0,0,1|2,0,0]=4 154 B15R2.7252 CC1=CC2=CN(CC(=O)O)N=C2C=C1 BBS-00036538 [0,1,0,0,0,1|1,0,1]=4 155 B15R2.7252 CC1=CC2=NN(CC(=O)O)C=C2C=C1 BBS-00036562 [0,1,0,0,0,1|1,0,1]=4 156 B15R2.627 CC(=O)C1=C(O)C2=CC=CC=C2C=C1 BBS-00028668 [0,1,0,0,0,1|2,0,0]=4 157 B15R2.627 NC1=C(C(=O)O)C=NC2=CC=CC=C21 BBS-00018269 [0,1,0,0,0,1|0,0,1]=3 158 B15R2.627 NC1=C2N=CC=CC2=CC=C1C(=O)O BBS-00026823 [0,1,0,0,0,1|2,0,0]=4 159 B15R2.627 O=C(O)C1=C(O)C2=CC=CC=C2N=C1 BBS-00000364 [0,1,0,0,0,1|0,0,1]=3 160 B15R2.627 O=C(O)C1=CN=C2C=CC=CN2C1=O BBS-00007051 [0,1,0,0,0,1|1,0,1]=4 161 B15R2.627 O=C(O)C1=CNC2=CC=CC=C2C1=O BBS-00008706 [0,1,0,0,0,1|0,0,0]=2 162 B15R2.627 O=C(O)C1=NNC2=CC=CC=C2C1=O BBS-00026894 [0,1,0,0,0,1|0,0,0]=2 163 B15R2.984 CC(=O)C1=C(C)NC2=CC=CC=C2S1 BBS-00006299 [0,1,0,0,0,1|2,0,0]=4 164 B15R2.984 CC(=O)C1=CC2=CC=CC=C2OC1=O BBS-00019887 [0,1,0,0,0,1|2,0,0]=4 165 B15R2.984 CC1=C(C(=O)O)SC2=CC=CC=C2N1 BBS-00014742 [0,1,0,0,0,1|1,0,0]=3 166 B15R2.984 CC1=NC2=CC=CC=C2C=C1C(=O)O BBS-00001528 [0,1,0,0,0,1|0,0,1]=3 167 B15R2.984 CC1=NC2=CC=CC=C2N=C1C(=O)O BBS-00030954 [0,1,0,0,0,1|0,0,1]=3 168 B15R2.984 N=C1OC2=CC=CC=C2C=C1C(N)=O BBS-00028178 [0,1,0,0,0,1|2,0,0]=4 169 B15R2.984 NC1=CC2=CC=CC=C2C=C1C(=O)O BBS-00039266 [0,1,0,0,0,1|1,0,0]=3 170 B15R2.984 O=C(O)C1=C(Cl)N=C2C=CC=CC2=C1 BBS-00007300 [0,1,0,0,0,1|0,0,1]=3 171 B15R2.984 O=C(O)C1=CC2=C(C=CC=C2)NC1=O BBS-00016623 [0,1,0,0,0,1|0,0,0]=2 172 B15R2.984 O=C(O)C1=CC2=C(C=CC=C2)OC1=O BBS-00034676 [0,1,0,0,0,1|1,0,0]=3 173 B15R2.1601 COC(=O)C1CCC2=CC=CC=C2N1 BBS-00001383 [0,1,0,0,0,1|0,0,2]=4 174 B15R2.1601 COC(=O)C1CNC2=CC=CC=C2O1 BBS-00021741 [0,1,0,0,0,1|1,0,1]=4 175 B15R2.1601 N\C(=N/O)C1=CC2=CC=CC=C2OC1 BBS-00021511 [0,1,0,0,0,1|2,0,0]=4 176 B15R2.1601 O=C(CBr)C1=CC2=CC=CC=C2C=C1 BBS-00004048 [0,1,0,0,0,1|2,0,0]=4 177 B15R2.7174 CC1=CC=C2C=CC(C(=O)O)=NC2=C1 BBS-00026827 [0,1,0,0,0,1|0,0,1]=3 178 B15R2.7174 O=C(O)C1=CC2=C(C=CC(Br)=C2)OC1 BBS-00016772 [0,1,0,0,0,1|1,0,0]=3 179 B15R2.7174 O=C(O)C1=CC2=C(C=CC(Cl)=C2)OC1 BBS-00016617 [0,1,0,0,0,1|1,0,0]=3 180 B15R2.7174 O=C(O)C1=CC2=CC(Br)=CN=C2N=C1 BBS-00018040 [0,1,0,0,0,1|1,0,1]=4 181 B15R2.7174 O=C(O)C1=CC2=CC(Cl)=CC=C2N=C1 BBS-00036355 [0,1,0,0,0,1|0,0,1]=3 182 B15R2.7174 O=C(O)C1=NC2=CC(Br)=CC=C2N=N1 BBS-00035975 [0,1,0,0,0,1|1,0,1]=4 183 B15R2.7174 O=C(O)C1=NC2=CC(Cl)=CC=C2C=C1 BBS-00026792 [0,1,0,0,0,1|0,0,1]=3 184 B15R2.7180 O=C(O)C1=NC2=CC=C(Cl)C=C2C=C1 BBS-00026914 [0,1,0,0,0,1|0,0,1]=3 185 B15R2.7180 O=C(O)C1=NC2=CC=C(F)C=C2C=C1 BBS-00026864 [0,1,0,0,0,1|0,0,1]=3 186 B15R2.13598 O=C(O)C1=CC2=C(OC1)C(O)=CC=C2 BBS-00016630 [0,1,0,0,0,1|1,0,0]=3 187 B15R2.13598 O=C(O)C1=CC2=CC=CC(Br)=C2C=C1 BBS-00036887 [0,1,0,0,0,1|1,0,0]=3 188 B15R2.13598 O=C(O)C1=CC2=CC=CC(F)=C2N=C1 BBS-00026918 [0,1,0,0,0,1|0,0,1]=3 189 B15R2.13598 O=C(O)C1=NC2=CC=CC(Br)=C2C=C1 BBS-00026795 [0,1,0,0,0,1|0,0,1]=3 190 B15R2.14951 O=C(Cl)C1=CC2=CC=CC=C2C(=O)S1 BBS-00002208 [0,1,0,0,0,1|2,0,0]=4 191 B15R2.14951 O=C(O)C1=CC(=O)C2=C(C=CC=C2)O1 BBS-00001748 [0,1,0,0,0,1|1,0,0]=3 192 B15R2.14951 O=C(O)C1=CC(=O)C2=CC=CC=C2N1 BBS-00028663 [0,1,0,0,0,1|0,0,0]=2 193 B15R2.14951 O=C(O)C1=CC(Br)=C2N=CC=CC2=C1 BBS-00026826 [0,1,0,0,0,1|2,0,0]=4 194 B15R2.14951 O=C(O)C1=CC2=CC=CC=C2C(=O)S1 BBS-00002370 [0,1,0,0,0,1|1,0,0]=3 195 B15R2.14951 O=C(O)C1=NC2=CC=CC=C2C(O)=C1 BBS-00028257 [0,1,0,0,0,1|0,0,1]=3 196 B15R2.14951 O=C1CC(C(=O)O)OC2=CC=CC=C12 BBS-00032406 [0,1,0,0,0,1|1,0,1]=4 197 B15R2.14951 O=C1OC(C(=O)O)CC2=C1C=CC=C2 BBS-00016598 [0,1,0,0,0,1|1,0,1]=4 198 B15R2.61353 CC1=C2C=C(C(=O)O)C=CC2=NC=C1 BBS-00026972 [0,1,0,0,0,1|2,0,0]=4 199 B15R2.61353 O=C(O)C1=NC2=C(F)C=CC=C2C=C1 BBS-00026835 [0,1,0,0,0,1|0,0,1]=3 200 B15R2.61353 O=C(O)C1=NC2=C(O)C=CC=C2C=C1 BBS-00025577 [0,1,0,0,0,1|0,0,1]=3 201 B15R2.61353 [NH3+]C1=C2N=C(C(=O)O)C=CC2=CC=C1 BBS-00026818 [0,1,0,0,0,1|0,0,1]=3 202 B15R2.630 CN1C2=CC=CC=C2N=C1S(=O)(=O)O BBS-00004679 [0,2,0,0,0,0|2,0,0]=4 203 B15R2.630 NN1C2=CC=CC=C2N=C1S(=O)(=O)O BBS-00029536 [0,2,0,0,0,0|2,0,0]=4 204 B15R2.1592 COC(=O)C1=C(Cl)C2=CC=CC=C2S1 BBS-00014262 [0,2,0,0,0,0|1,0,0]=3 205 B15R2.1592 COC(=O)C1=C(N)C2=C(C=CC=C2)S1 BBS-00038482 [0,2,0,0,0,0|1,0,0]=3 206 B15R2.1592 COC(=O)C1=C(N)C2=CC=CN=C2S1 BBS-00019296 [0,2,0,0,0,0|2,0,0]=4 207 B15R2.1592 COC(=O)C1=CC2=CC=CC=C2N1C BBS-00033750 [0,2,0,0,0,0|0,0,0]=2 208 B15R2.1592 NNC(=O)C1=C(Cl)C2=CC=CC=C2S1 BBS-00007328 [0,2,0,0,0,0|2,0,0]=4 209 B15R2.4190 O=CC1=C(C(=O)O)NC2=CC=CC=C21 BBS-00031324 [0,2,0,0,0,0|0,0,0]=2 210 B15R2.7203 CC1=C(C(=O)O)NC2=C1C=C(Br)C=C2 BBS-00034615 [0,2,0,0,0,0|0,0,0]=2 211 B15R2.7203 CC1=C(C(=O)O)OC2=CC=C(Br)C=C21 BBS-00015706 [0,2,0,0,0,0|1,0,0]=3 212 B15R2.7203 CC1=C(C(=O)O)OC2=CC=C(F)C=C21 BBS-00001638 [0,2,0,0,0,0|1,0,0]=3 213 B15R2.7203 CC1=CC2=C(C=C1)OC(C(=O)O)=C2C BBS-00004454 [0,2,0,0,0,0|1,0,0]=3 214 B15R2.7203 CN1C(C(=O)O)=CC2=CC=C(Cl)C=C21 BBS-00034613 [0,2,0,0,0,0|0,0,0]=2 215 B15R2.7203 CN1C(C(=O)O)=CC2=CC=C(F)C=C21 BBS-00036117 [0,2,0,0,0,0|0,0,0]=2 216 B15R2.7203 CN1C(C(=O)O)=CC2=CC=C(O)C=C21 BBS-00013101 [0,2,0,0,0,0|0,0,0]=2 217 B15R2.13463 CN1C(C(=O)O)=CC2=C(Cl)C=CC=C21 BBS-00034612 [0,2,0,0,0,0|0,0,0]=2 218 B15R2.13463 CN1C(C(=O)O)=CC2=C(F)C=CC=C21 BBS-00036272 [0,2,0,0,0,0|0,0,0]=2 219 B15R2.13629 CC1=C2C(=CC=C1)SC(C(=O)O)=C2Cl BBS-00016792 [0,2,0,0,0,0|1,0,0]=3 220 B15R2.13629 O=C(Cl)C1=C(Cl)C2=C(Cl)C=CC=C2S1 BBS-00027601 [0,2,0,0,0,0|2,0,0]=4 221 B15R2.13629 O=C(O)C1=C(Cl)C2=C(C=CC=C2Cl)S1 BBS-00001587 [0,2,0,0,0,0|1,0,0]=3 222 B15R2.13629 O=C(O)C1=C(I)C2=C(F)C=CC=C2N1 BBS-00036288 [0,2,0,0,0,0|0,0,0]=2 223 B15R2.14758 CC1=CC2=C(C=C1)C(Cl)=C(C(=O)Cl)S2 BBS-00021110 [0,2,0,0,0,0|2,0,0]=4 224 B15R2.14758 CC1=CC=C2C(=C1)SC(C(=O)O)=C2Cl BBS-00001589 [0,2,0,0,0,0|1,0,0]=3 225 B15R2.14758 CN1C(C(=O)O)=CC2=CC(Cl)=CC=C21 BBS-00034610 [0,2,0,0,0,0|0,0,0]=2 226 B15R2.14758 CN1C(C(=O)O)=CC2=CC(F)=CC=C21 BBS-00034718 [0,2,0,0,0,0|0,0,0]=2 227 B15R2.14758 NC(=O)C1=C(Cl)C2=CC=C(Cl)C=C2S1 BBS-00020796 [0,2,0,0,0,0|2,0,0]=4 228 B15R2.14758 O=C(Cl)C1=C(Cl)C2=C(C=C(Cl)C=C2)S1 BBS-00034866 [0,2,0,0,0,0|2,0,0]=4 229 B15R2.14758 O=C(O)C1=C(Cl)C2=C(C=C(Cl)C=C2)S1 BBS-00001588 [0,2,0,0,0,0|1,0,0]=3 230 B15R2.14758 O=C(O)C1=C(Cl)C2=C(C=C(F)C=C2)S1 BBS-00016768 [0,2,0,0,0,0|1,0,0]=3 231 B15R2.1204 N#C\C(=N/O)C1=NC2=CC=CC=C2N1 BBS-00000095 [0,2,0,0,0,0|2,0,0]=4 232 B15R2.1590 COC(=O)C1=CC2=CC(Br)=CC=C2O1 BBS-00026793 [0,2,0,0,0,0|1,0,0]=3 233 B15R2.1590 COC(=O)C1=CC2=CC=C(O)C=C2N1 BBS-00013063 [0,2,0,0,0,0|0,0,0]=2 234 B15R2.1598 COC(=O)C1=CC2=C(F)C=CC=C2N1 BBS-00036292 [0,2,0,0,0,0|0,0,0]=2 235 B15R2.4834 COC1=CC2=C(C=C1)C=C(C(=O)O)N2 BBS-00034549 [0,2,0,0,0,0|0,0,0]=2 236 B15R2.4834 COC1=CC2=C(C=C1)C=C(C(=O)O)O2 BBS-00020976 [0,2,0,0,0,0|1,0,0]=3 237 B15R2.4834 COC1=CC2=C(C=C1)NC(C(=O)O)=C2 BBS-00034397 [0,2,0,0,0,0|0,0,0]=2 238 B15R2.4834 COC1=CC=C2C=C(C(=O)O)SC2=C1 BBS-00034637 [0,2,0,0,0,0|1,0,0]=3 239 B15R2.4834 COC1=CC=C2OC(C(=O)O)=CC2=C1 BBS-00007942 [0,2,0,0,0,0|1,0,0]=3 240 B15R2.20824 COC1=C2C=C(C(=O)O)NC2=CC=C1 BBS-00010667 [0,2,0,0,0,0|0,0,0]=2 241 B15R2.20824 COC1=C2OC(C(=O)O)=CC2=CC=C1 BBS-00012633 [0,2,0,0,0,0|1,0,0]=3 242 B13R2.369 NC1=CC2=C(C=CC=C2)C=C1N BBS-00016511 [0,0,1,1,0,0|2,0,0]=4 243 B13R2.369 O=C1NC2=CC=CC=C2NC1=O BBS-00026233 [0,0,1,1,0,0|2,0,0]=4 244 B13R2.5179 CC1=NC2=CC=CC(N)=C2C=C1 BBS-00001935 [0,0,1,1,0,0|2,0,0]=4 245 B13R2.5179 O=C1C=CC2=C(Br)C=CC=C2N1 BBS-00026802 [0,0,1,1,0,0|2,0,0]=4 246 B13R2.72 O=C(O)C1=C2C=CC=CC2=NN1 BBS-00029395 [0,0,1,1,0,0|1,0,0]=3 247 B13R2.72 O=C(O)C1=CNC2=CC=CC=C21 BBS-00023293 [0,0,1,1,0,0|2,0,0]=4 248 B13R2.72 O=C(O)C1=NN=C2C=CC=CN21 BBS-00029390 [0,0,1,1,0,0|2,0,0]=4 249 B13R2.72 O=C(O)C1=NNC2=CC=CC=C21 BBS-00030531 [0,0,1,1,0,0|1,0,1]=4 250 B13R2.430 O=C(O)C1=CC2=C(C=C1)NC=C2 BBS-00030500 [0,0,1,1,0,0|2,0,0]=4 251 B13R2.430 O=C(O)C1=CC2=C(C=CN2)C=C1 BBS-00030501 [0,0,1,1,0,0|2,0,0]=4 252 B13R2.5569 O=C(O)C1=C2NC=CC2=CC=C1 BBS-00034616 [0,0,1,1,0,0|2,0,0]=4 253 B13R2.5569 O=C(O)C1=CC=CC2=C1C=CN2 BBS-00030499 [0,0,1,1,0,0|2,0,0]=4 254 B15R3.2249 O=C1CCC2=C1NC3=CC=CC=C32 BBS-00033559 [0,1,0,1,0,0|1,0,0]=3 255 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 BBS-00026349 [0,0,1,0,1,0|0,0,2]=4 256 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 BBS-00020890 [0,0,1,0,1,0|0,0,1]=3 257 B11R1.36 NC(C(=O)O)C1=NC=CC=C1 BBS-00029370 [0,0,1,0,1,0|1,0,1]=4 258 B11R1.36 O=C(O)C(Br)C1=CC=CC=C1 BBS-00016426 [0,0,1,0,1,0|1,0,1]=4 259 B11R1.86 CC(=O)NC1=C(Cl)C=CC=C1 BBS-00017114 [0,0,1,0,1,0|2,0,0]=4 260 B11R1.86 CC1=CC=CC=C1CC(=O)O BBS-00028458 [0,0,1,0,1,0|0,0,2]=4 261 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 BBS-00027926 [0,0,1,0,1,0|1,0,1]=4 262 B13R1.351 O=C([O-])C(=O)\C=C\C1=CC=CC=C1 BBS-00039011 [0,0,1,0,0,1|1,0,1]=4 263 B13R2.57 O=CC1=CC2=C(C=CC=C2)OC1 BBS-00001622 [1,0,0,0,0,1|1,0,0]=3 264 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 BBS-00005332 [1,0,0,0,0,1|0,0,1]=3 265 B13R2.57 O=CC1=CC=C2C=CC=NC2=C1 BBS-00005340 [1,0,0,0,0,1|2,0,0]=4 266 B13R2.57 O=CC1=CC=C2N=CC=CC2=C1 BBS-00005338 [1,0,0,0,0,1|2,0,0]=4 267 B13R2.57 O=CC1=NC2=CC=CC=C2C=C1 BBS-00025625 [1,0,0,0,0,1|0,0,1]=3 268 B13R2.57 O=CC1=NC2=CC=CC=C2N=C1 BBS-00005347 [1,0,0,0,0,1|0,0,1]=3 269 B15R2.1660 NC(=O)CSC1=NC2=C(C=CC=C2)N1 BBS-00035345 [0,0,0,0,0,2|2,0,0]=4 270 B15R2.1660 O=C(O)CCC1=CC2=CC=CC=C2N1 BBS-00029907 [0,0,0,0,0,2|0,0,0]=2 271 B15R2.1660 O=C(O)CCC1=NC2=C(C=CC=C2)N1 BBS-00010920 [0,0,0,0,0,2|1,0,0]=3 272 B15R2.1660 O=C(O)CCC1=NC2=CC=CC=C2S1 BBS-00000092 [0,0,0,0,0,2|1,0,1]=4 273 B15R2.1660 O=C(O)CSC1=NC2=C(C=CC=C2)O1 BBS-00001869 [0,0,0,0,0,2|1,0,1]=4 274 B15R2.1660 O=C(O)CSC1=NC2=C(C=CC=C2)S1 BBS-00002482 [0,0,0,0,0,2|1,0,1]=4 275 B15R2.1660 O=C(O)CSC1=NC2=CC=CC=C2N1 BBS-00005718 [0,0,0,0,0,2|1,0,0]=3 276 B15R2.1660 O=C(O)\C=C\C1=NC2=CC=CC=C2S1 BBS-00002765 [0,0,0,0,0,2|1,0,1]=4 277 B15R2.1668 O=C(O)CC1=CC2=C(C=CC=C2)C=C1 BBS-00007768 [0,0,0,0,0,2|1,0,0]=3 278 B15R2.1668 O=C(O)CC1CC2=CC=CC=C2CN1 BBS-00022456 [0,0,0,0,0,2|0,0,2]=4 279 B15R2.1668 O=C(O)C[N+]1=CC=C2C=CC=CC2=C1 BBS-00004716 [0,0,0,0,0,2|2,0,0]=4