0 B11R1.91 CC(N)COC1=CC=CC=C1 BBS-00016720 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.91 N=C(N)SCC1=CC=CC=C1 BBS-00012767 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.91 N=C(N)SCC1=CC=CC=C1 BBS-00027498 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.91 N=C(N)SCC1=CC=CN=C1 BBS-00023803 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.91 NC(=O)COC1=CC=CC=C1 BBS-00024691 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.91 NC(=O)NCC1=CC=CC=C1 BBS-00028429 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.91 NC(=S)COC1=CC=CC=C1 BBS-00009570 [0,0,0,0,0,0|2,1,0]=3 7 B11R1.91 NC(=S)NCC1=CC=CC=C1 BBS-00018886 [0,0,0,0,0,0|2,1,0]=3 8 B11R1.91 NC(=S)NCC1=CC=NC=C1 BBS-00028651 [0,0,0,0,0,0|3,1,0]=4 9 B11R1.91 O=C(O)C#CC1=CC=CC=C1 BBS-00010651 [0,0,0,0,0,0|0,0,2]=2 10 B11R1.91 O=C(O)CCC1=CC=CC=C1 BBS-00022951 [0,0,0,0,0,0|0,0,0]=0 11 B11R1.91 O=C(O)CCC1=CC=CN=C1 BBS-00032408 [0,0,0,0,0,0|1,0,0]=1 12 B11R1.91 O=C(O)CNC1=CC=CN=C1 BBS-00028772 [0,0,0,0,0,0|2,0,0]=2 13 B11R1.91 O=C(O)CNC1=NC=CC=C1 BBS-00025766 [0,0,0,0,0,0|2,0,0]=2 14 B11R1.91 O=C(O)CNC1=NC=CC=N1 BBS-00030818 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.91 O=C(O)COC1=CC=CC=C1 BBS-00003724 [0,0,0,0,0,0|1,0,0]=1 16 B11R1.91 O=C(O)CSC1=NC=CC=N1 BBS-00001858 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 BBS-00027633 [0,0,0,0,0,0|0,0,2]=2 18 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 BBS-00027634 [0,0,0,0,0,0|0,0,3]=3 19 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 BBS-00027946 [0,0,0,0,0,0|1,0,3]=4 20 B10R1.17 BrCCOC1=CC=CC=C1 BBS-00006631 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.17 C(=O)NCC1=CC=CC=C1 BBS-00029337 [1,0,0,0,0,0|1,0,0]=2 22 B10R1.17 CNCCC1=NC=CC=C1 BBS-00002883 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.17 N#CCCC1=CC=CC=C1 BBS-00024258 [1,0,0,0,0,0|1,0,1]=3 24 B10R1.17 N#CCOC1=CC=CC=C1 BBS-00009751 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.17 N#CSCC1=CC=CC=C1 BBS-00015752 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.17 NCCCC1=CC=CC=C1 BBS-00017110 [1,0,0,0,0,0|1,0,1]=3 27 B10R1.17 NCCCC1=NC=CC=C1 BBS-00021922 [1,0,0,0,0,0|2,0,1]=4 28 B10R1.17 NCCNC1=CC=CC=C1 BBS-00013712 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.17 NCCOC1=CC=CC=C1 BBS-00026030 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.17 NCCSC1=CC=CC=C1 BBS-00030833 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.17 NCCSC1=CC=CC=C1 BBS-00034697 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.17 O=CCCC1=CC=CC=C1 BBS-00032892 [1,0,0,0,0,0|0,0,0]=1 33 B10R1.17 OCCCC1=CC=CC=C1 BBS-00017111 [1,0,0,0,0,0|0,0,1]=2 34 B10R1.17 OCCOC1=CC=CC=C1 BBS-00038862 [1,0,0,0,0,0|1,0,1]=3 35 B10R1.17 S=C=NCC1=CC=CC=C1 BBS-00004442 [1,0,0,0,0,0|1,1,1]=4 36 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 BBS-00009393 [0,1,0,0,0,0|0,0,0]=1 37 B12R1.21 CC1=CC=C(NCC(N)=O)C=C1 BBS-00018637 [0,1,0,0,0,0|2,0,0]=3 38 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 BBS-00003725 [0,1,0,0,0,0|1,0,0]=2 39 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 BBS-00007857 [0,1,0,0,0,0|0,0,2]=3 40 B12R1.21 NC(=O)CNC1=CC=C(F)C=C1 BBS-00024385 [0,1,0,0,0,0|2,0,0]=3 41 B12R1.21 NC(=S)COC1=CC=C(F)C=C1 BBS-00029212 [0,1,0,0,0,0|2,1,0]=4 42 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BBS-00033603 [0,1,0,0,0,0|0,0,0]=1 43 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BBS-00038570 [0,1,0,0,0,0|0,0,0]=1 44 B12R1.21 O=C(Cl)COC1=CC=C(Cl)C=C1 BBS-00038716 [0,1,0,0,0,0|2,0,0]=3 45 B12R1.21 O=C(O)C#CC1=CC=C(Br)C=C1 BBS-00036278 [0,1,0,0,0,0|0,0,2]=3 46 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 BBS-00035997 [0,1,0,0,0,0|0,0,2]=3 47 B12R1.21 O=C(O)C#CC1=CC=C(F)C=C1 BBS-00036073 [0,1,0,0,0,0|0,0,2]=3 48 B12R1.21 O=C(O)C#CC1=CC=C(O)C=C1 BBS-00035968 [0,1,0,0,0,0|0,0,2]=3 49 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 BBS-00007940 [0,1,0,0,0,0|0,0,0]=1 50 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 BBS-00016730 [0,1,0,0,0,0|0,0,0]=1 51 B12R1.21 O=C(O)CNC1=CC=C(Cl)C=C1 BBS-00009723 [0,1,0,0,0,0|1,0,0]=2 52 B12R1.21 O=C(O)COC1=CC=C(Br)C=C1 BBS-00001063 [0,1,0,0,0,0|1,0,0]=2 53 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 BBS-00003726 [0,1,0,0,0,0|1,0,0]=2 54 B12R1.21 O=C(O)COC1=CC=C(F)C=C1 BBS-00028323 [0,1,0,0,0,0|1,0,0]=2 55 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 BBS-00007925 [0,1,0,0,0,0|1,0,0]=2 56 B12R1.21 O=C(O)CSC1=CC=C(Cl)N=N1 BBS-00019191 [0,1,0,0,0,0|3,0,0]=4 57 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 BBS-00030262 [0,1,0,0,0,0|1,0,0]=2 58 B12R1.21 O=C(O)CSC1=NC=C(Cl)C=N1 BBS-00026838 [0,1,0,0,0,0|3,0,0]=4 59 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 BBS-00026338 [0,1,0,0,0,0|0,0,2]=3 60 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 BBS-00007679 [0,1,0,0,0,0|0,0,2]=3 61 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 BBS-00006474 [0,1,0,0,0,0|0,0,2]=3 62 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 BBS-00028221 [0,1,0,0,0,0|0,0,2]=3 63 B12R1.27 COC(=O)CNC1=CC=CC=C1 BBS-00024335 [0,1,0,0,0,0|1,0,0]=2 64 B12R1.27 COC(=O)CNC1=NC=CC=C1 BBS-00026361 [0,1,0,0,0,0|2,0,0]=3 65 B12R1.27 COC(=O)COC1=CC=CC=C1 BBS-00024689 [0,1,0,0,0,0|1,0,0]=2 66 B12R1.27 CSC(=S)NCC1=CC=CC=C1 BBS-00007085 [0,1,0,0,0,0|1,2,0]=4 67 B12R1.27 NCC(=O)NCC1=CC=CC=C1 BBS-00011088 [0,1,0,0,0,0|2,0,0]=3 68 B12R1.27 NCC(O)COC1=CC=CC=C1 BBS-00010678 [0,1,0,0,0,0|2,0,1]=4 69 B12R1.27 NNC(=O)CCC1=CC=CC=C1 BBS-00001044 [0,1,0,0,0,0|1,0,0]=2 70 B12R1.27 NNC(=O)CNC1=CC=CC=C1 BBS-00018739 [0,1,0,0,0,0|2,0,0]=3 71 B12R1.27 NNC(=O)COC1=CC=CC=C1 BBS-00001043 [0,1,0,0,0,0|2,0,0]=3 72 B12R1.27 N\C(CCC1=CC=CC=C1)=N\O BBS-00028931 [0,1,0,0,0,0|1,0,0]=2 73 B12R1.27 N\C(COC1=CC=CC=C1)=N/O BBS-00012356 [0,1,0,0,0,0|2,0,0]=3 74 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 BBS-00028477 [0,1,0,0,0,0|2,0,0]=3 75 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 BBS-00000751 [0,1,0,0,0,0|2,0,0]=3 76 B12R1.27 O=C(CCl)NCC1=NC=CC=C1 BBS-00032711 [0,1,0,0,0,0|3,0,0]=4 77 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 BBS-00033820 [0,1,0,0,0,0|1,0,0]=2 78 B12R1.43 CC(OC1=CC=CC=C1)C(=O)Cl BBS-00038717 [0,1,0,0,0,0|2,0,0]=3 79 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O BBS-00036140 [0,1,0,0,0,0|1,0,0]=2 80 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 BBS-00034173 [0,1,0,0,0,0|1,0,0]=2 81 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O BBS-00028542 [0,1,0,0,0,0|0,0,0]=1 82 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O BBS-00039044 [0,1,0,0,0,0|0,0,0]=1 83 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 BBS-00032608 [0,1,0,0,0,0|1,0,1]=3 84 B12R1.43 O=C(O)\C(S)=C/C1=CC=CC=C1 BBS-00007612 [0,1,0,0,0,0|0,0,2]=3 85 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 BBS-00004232 [0,1,0,0,0,0|1,0,1]=3 86 B12R1.107 CC(=O)CC(=O)C1=CC=CN=C1 BBS-00028467 [0,1,0,0,0,0|2,0,1]=4 87 B12R1.107 CC(NC(N)=O)C1=CC=CC=C1 BBS-00036311 [0,1,0,0,0,0|2,0,0]=3 88 B12R1.107 CN(C)CC(N)C1=CC=CC=C1 BBS-00011896 [0,1,0,0,0,0|3,0,0]=4 89 B12R1.107 CN(C)CC(N)C1=CC=CC=C1 BBS-00029926 [0,1,0,0,0,0|3,0,0]=4 90 B12R1.107 CN(C)CC(O)C1=CC=CC=C1 BBS-00036040 [0,1,0,0,0,0|3,0,0]=4 91 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 BBS-00022455 [0,1,0,0,0,0|0,0,0]=1 92 B12R1.107 O=C(C[N+](=O)[O-])C1=CC=CC=C1 BBS-00036527 [0,1,0,0,0,0|1,0,2]=4 93 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 BBS-00007680 [0,1,0,0,0,0|1,0,0]=2 94 B12R1.125 CC1=C(OCC(N)=S)C=CC=C1 BBS-00009571 [0,1,0,0,0,0|2,1,0]=4 95 B12R1.125 CC1=CC=CC=C1NCC(=O)O BBS-00009682 [0,1,0,0,0,0|1,0,0]=2 96 B12R1.125 CC1=CC=CC=C1OCC(N)=O BBS-00024699 [0,1,0,0,0,0|2,0,0]=3 97 B12R1.125 NC(=O)COC1=CC=CC=C1Br BBS-00024737 [0,1,0,0,0,0|2,0,0]=3 98 B12R1.125 NC(=O)COC1=CC=CC=C1Cl BBS-00024726 [0,1,0,0,0,0|2,0,0]=3 99 B12R1.125 NC(=O)COC1=CC=CC=C1F BBS-00024717 [0,1,0,0,0,0|2,0,0]=3 100 B12R1.125 NC(=O)CSC1=CC=CC=C1N BBS-00035669 [0,1,0,0,0,0|2,0,0]=3 101 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 BBS-00016726 [0,1,0,0,0,0|0,0,0]=1 102 B12R1.125 O=C(O)COC1=CC=CC=C1Br BBS-00001062 [0,1,0,0,0,0|1,0,0]=2 103 B12R1.125 O=C(O)COC1=CC=CC=C1Cl BBS-00007696 [0,1,0,0,0,0|1,0,0]=2 104 B12R1.125 O=C(O)COC1=CC=CC=C1F BBS-00024728 [0,1,0,0,0,0|1,0,0]=2 105 B12R1.125 O=C(O)COC1=CC=CN=C1Br BBS-00026908 [0,1,0,0,0,0|2,0,0]=3 106 B12R1.125 O=C(O)CSC1=CC=CN=C1Cl BBS-00037382 [0,1,0,0,0,0|2,0,0]=3 107 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 BBS-00006452 [0,1,0,0,0,0|0,0,2]=3 108 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1F BBS-00022953 [0,1,0,0,0,0|0,0,2]=3 109 B12R1.226 CC1=CC=NC(SCC(=O)O)=N1 BBS-00001859 [0,1,0,0,0,0|3,0,0]=4 110 B12R1.226 N=C(N)[Se]CC1=CC(Br)=CC=C1 BBS-00027741 [0,1,0,0,0,0|3,0,0]=4 111 B12R1.226 NC1=CC(\C=C\C(=O)O)=CC=C1 BBS-00007678 [0,1,0,0,0,0|0,0,2]=3 112 B12R1.226 O=C(O)C#CC1=CC(O)=CC=C1 BBS-00036291 [0,1,0,0,0,0|0,0,2]=3 113 B12R1.226 O=C(O)C#CC1=CC=CC(Br)=C1 BBS-00036282 [0,1,0,0,0,0|0,0,2]=3 114 B12R1.226 O=C(O)C#CC1=CC=CC(Cl)=C1 BBS-00036095 [0,1,0,0,0,0|0,0,2]=3 115 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 BBS-00016728 [0,1,0,0,0,0|0,0,0]=1 116 B12R1.226 O=C(O)COC1=CC(Br)=CC=C1 BBS-00007762 [0,1,0,0,0,0|1,0,0]=2 117 B12R1.226 O=C(O)COC1=CC(Cl)=CC=C1 BBS-00007943 [0,1,0,0,0,0|1,0,0]=2 118 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 BBS-00006453 [0,1,0,0,0,0|0,0,2]=3 119 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 BBS-00006566 [0,1,0,0,0,0|0,0,2]=3 120 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 BBS-00006451 [0,1,0,0,0,0|0,0,2]=3 121 B12R1.891 NS(=O)(=O)NCC1=CC=CC=C1 BBS-00032734 [0,1,0,0,0,0|2,0,1]=4 122 B12R1.891 O=S(=O)(Cl)NCC1=CC=CC=C1 BBS-00029357 [0,1,0,0,0,0|2,0,1]=4 123 B12R1.891 O=S(=O)(O)COC1=CC=CC=N1 BBS-00028870 [0,1,0,0,0,0|3,0,0]=4 124 B12R1.891 O=S(=O)([O-])CCC1=CC=CC=C1 BBS-00038795 [0,1,0,0,0,0|1,0,1]=3 125 B12R1.891 O=S(=O)([O-])CNC1=CC=CC=C1 BBS-00039158 [0,1,0,0,0,0|2,0,1]=4 126 B12R2.24 CC1CCC2=CC=CC=C2N1 BBS-00001527 [0,0,0,1,0,0|2,0,1]=4 127 B12R2.24 CC1CNC2=CC=CC=C2O1 BBS-00002745 [0,0,0,1,0,0|2,0,1]=4 128 B12R2.24 O=C1CNC2=CC=CC=C2N1 BBS-00011790 [0,0,0,1,0,0|2,0,0]=3 129 B12R2.24 O=C1COC2=CC=CC=C2N1 BBS-00009494 [0,0,0,1,0,0|2,0,0]=3 130 B12R2.24 O=C1CSC2=CC=CC=C2N1 BBS-00014834 [0,0,0,1,0,0|2,0,0]=3 131 B12R2.24 OC1=CC2=CC=CC=C2N=C1 BBS-00024364 [0,0,0,1,0,0|2,0,1]=4 132 B12R2.24 OC1=NC2=C(C=CC=C2)NC1 BBS-00023485 [0,0,0,1,0,0|2,0,0]=3 133 B12R2.24 OC1=NC2=CC=CC=C2C=N1 BBS-00010740 [0,0,0,1,0,0|2,0,1]=4 134 B12R2.24 OC1=NC2=CC=CC=C2OC1 BBS-00028348 [0,0,0,1,0,0|2,0,0]=3 135 B12R2.24 S=C1COC2=CC=CC=C2N1 BBS-00020054 [0,0,0,1,0,0|2,1,0]=4 136 B10R1.18 CC(=O)CC1=NC=CC=C1 BBS-00032352 [0,0,0,0,1,0|2,0,0]=3 137 B10R1.18 CC(=O)NC1=CC=CC=C1 BBS-00004291 [0,0,0,0,1,0|2,0,0]=3 138 B10R1.18 N=C(N)CC1=CC=CC=C1 BBS-00021134 [0,0,0,0,1,0|2,0,0]=3 139 B10R1.18 NC(=S)CC1=CC=CC=C1 BBS-00009575 [0,0,0,0,1,0|1,1,0]=3 140 B10R1.18 NC(=S)NC1=CC=CC=C1 BBS-00000800 [0,0,0,0,1,0|2,1,0]=4 141 B10R1.18 O=C(O)CC1=CC=CC=C1 BBS-00039143 [0,0,0,0,1,0|0,0,0]=1 142 B10R1.18 O=C(O)CC1=CC=NC=C1 BBS-00022459 [0,0,0,0,1,0|1,0,0]=2 143 B10R1.66 CC(=O)CCC1=CC=CO1 BBS-00016807 [0,0,0,0,1,0|2,0,0]=3 144 B10R1.66 O=C(O)CCC1=CC=CO1 BBS-00016660 [0,0,0,0,1,0|1,0,0]=2 145 B10R1.66 O=C(O)CCC1=CSC=C1 BBS-00016769 [0,0,0,0,1,0|1,0,0]=2 146 B10R1.66 O=C(O)CCC1=NC=NN1 BBS-00024339 [0,0,0,0,1,0|3,0,0]=4 147 B10R1.66 O=C(O)CCN1C=CC=C1 BBS-00030635 [0,0,0,0,1,0|1,0,0]=2 148 B10R1.66 O=C(O)CCN1C=CN=C1 BBS-00002509 [0,0,0,0,1,0|2,0,0]=3 149 B10R1.66 O=C(O)CCN1C=NC=N1 BBS-00005887 [0,0,0,0,1,0|3,0,0]=4 150 B10R1.66 O=C(O)CNC1=NC=CS1 BBS-00021111 [0,0,0,0,1,0|3,0,0]=4 151 B10R1.66 O=C(O)\C=C\C1=CC=CO1 BBS-00003729 [0,0,0,0,1,0|1,0,2]=4 152 B10R1.66 O=C(O)\C=C\C1=CC=CS1 BBS-00006463 [0,0,0,0,1,0|1,0,2]=4 153 B12R1.252 CN(C)CCNC1=CC=CC=C1 BBS-00011085 [0,0,0,0,0,1|3,0,0]=4 154 B12R1.252 NC(=O)NCCC1=CC=CC=C1 BBS-00028948 [0,0,0,0,0,1|1,0,0]=2 155 B12R1.252 NC(=O)N\N=C\C1=CC=CC=C1 BBS-00027939 [0,0,0,0,0,1|2,0,1]=4 156 B12R1.252 NC(=S)COCC1=CC=CC=C1 BBS-00026341 [0,0,0,0,0,1|1,1,0]=3 157 B12R1.252 O=C(O)CCCC1=CC=CC=C1 BBS-00003749 [0,0,0,0,0,1|0,0,0]=1 158 B12R1.252 O=C(O)CCNC1=NC=CC=N1 BBS-00034422 [0,0,0,0,0,1|2,0,0]=3 159 B12R1.252 O=C(O)CCOC1=CC=CC=C1 BBS-00006237 [0,0,0,0,0,1|0,0,0]=1 160 B12R1.252 O=C(O)CCSC1=CC=CC=C1 BBS-00024101 [0,0,0,0,0,1|0,0,0]=1 161 B12R1.252 O=C(O)COCC1=CC=CC=C1 BBS-00025332 [0,0,0,0,0,1|0,0,0]=1 162 B12R1.252 O=C(O)CSCC1=CC=CC=C1 BBS-00006580 [0,0,0,0,0,1|0,0,0]=1 163 B12R1.252 O=C(O)C\C=C\C1=CC=CC=C1 BBS-00018166 [0,0,0,0,0,1|0,0,1]=2 164 B12R1.252 O=C(O)\C=C\CC1=CC=CC=C1 BBS-00020956 [0,0,0,0,0,1|0,0,1]=2 165 B9R1.8 BrCCC1=CC=CC=C1 BBS-00028228 [2,0,0,0,0,0|1,0,0]=3 166 B9R1.8 ClCCC1=CC=CC=C1 BBS-00027739 [2,0,0,0,0,0|1,0,0]=3 167 B9R1.8 N#CCC1=CC=CC=C1 BBS-00024145 [2,0,0,0,0,0|1,0,1]=4 168 B9R1.8 NOCC1=CC=CC=C1 BBS-00029336 [2,0,0,0,0,0|2,0,0]=4 169 B9R1.8 O=C=NC1=CC=CC=C1 BBS-00038756 [2,0,0,0,0,0|1,0,1]=4 170 B9R1.8 OCCC1=CC=CC=C1 BBS-00004355 [2,0,0,0,0,0|0,0,0]=2 171 B9R1.8 OCCC1=NC=CC=C1 BBS-00028971 [2,0,0,0,0,0|1,0,0]=3 172 B11R1.1 CC1=CC=C(OCCO)C=C1 BBS-00022105 [1,1,0,0,0,0|1,0,1]=4 173 B11R1.1 CCCCC1=CC=C(N)C=C1 BBS-00003555 [1,1,0,0,0,0|1,0,1]=4 174 B11R1.1 NC1=CC=C(OCCO)C=C1 BBS-00027384 [1,1,0,0,0,0|1,0,1]=4 175 B11R1.1 NC1=CC=C(OCCO)C=C1 BBS-00033760 [1,1,0,0,0,0|1,0,1]=4 176 B11R1.1 NCCCC1=CC=C(Cl)C=C1 BBS-00017099 [1,1,0,0,0,0|1,0,1]=4 177 B11R1.1 OCCCC1=CC=C(Cl)C=C1 BBS-00017159 [1,1,0,0,0,0|0,0,1]=3 178 B11R1.1 OCCOC1=CC=C(Br)C=C1 BBS-00022108 [1,1,0,0,0,0|1,0,1]=4 179 B11R1.1 OCCOC1=CC=C(Cl)C=C1 BBS-00022021 [1,1,0,0,0,0|1,0,1]=4 180 B11R1.1 OCCOC1=CC=C(F)C=C1 BBS-00022090 [1,1,0,0,0,0|1,0,1]=4 181 B11R1.16 C(=O)[CH-]C(=O)C1=CC=CC=C1 BBS-00028658 [1,1,0,0,0,0|0,0,2]=4 182 B11R1.16 COCC(N)C1=CC=CC=C1 BBS-00016624 [1,1,0,0,0,0|2,0,0]=4 183 B11R1.17 CC1=C(CCCN)C=CC=C1 BBS-00021926 [1,1,0,0,0,0|1,0,1]=4 184 B11R1.17 CC1=CC=CC=C1OCCO BBS-00022157 [1,1,0,0,0,0|1,0,1]=4 185 B11R1.17 NC1=C(OCCO)C=CC=C1 BBS-00027388 [1,1,0,0,0,0|1,0,1]=4 186 B11R1.17 NCCCC1=C(Br)C=CC=C1 BBS-00017118 [1,1,0,0,0,0|1,0,1]=4 187 B11R1.17 NCCCC1=C(Cl)C=CC=C1 BBS-00017152 [1,1,0,0,0,0|1,0,1]=4 188 B11R1.17 NNCCC1=CC=CC=C1F BBS-00012995 [1,1,0,0,0,0|2,0,0]=4 189 B11R1.17 OCCCC1=C(Br)C=CC=C1 BBS-00017119 [1,1,0,0,0,0|0,0,1]=3 190 B11R1.17 OCCCC1=C(Cl)C=CC=C1 BBS-00017151 [1,1,0,0,0,0|0,0,1]=3 191 B11R1.17 OCCOC1=CC=CC=C1Br BBS-00022144 [1,1,0,0,0,0|1,0,1]=4 192 B11R1.17 OCCOC1=CC=CC=C1Cl BBS-00022132 [1,1,0,0,0,0|1,0,1]=4 193 B11R1.17 OCCOC1=CC=CC=C1F BBS-00022120 [1,1,0,0,0,0|1,0,1]=4 194 B11R1.24 NC1=CC(OCCO)=CC=C1 BBS-00017859 [1,1,0,0,0,0|1,0,1]=4 195 B11R1.24 NCCCC1=CC(Br)=CC=C1 BBS-00017173 [1,1,0,0,0,0|1,0,1]=4 196 B11R1.24 NCCCC1=CC(F)=CC=C1 BBS-00017093 [1,1,0,0,0,0|1,0,1]=4 197 B11R1.24 OCCCC1=CC(Br)=CC=C1 BBS-00017174 [1,1,0,0,0,0|0,0,1]=3 198 B11R1.28 CNCCCC1=CC=CC=C1 BBS-00017109 [1,1,0,0,0,0|1,0,1]=4 199 B11R1.28 N#CCCNC1=CC=CC=C1 BBS-00027376 [1,1,0,0,0,0|1,0,1]=4 200 B11R1.28 N#CCCOC1=CC=CC=C1 BBS-00024104 [1,1,0,0,0,0|1,0,1]=4 201 B11R1.28 N#CCCSC1=CC=CC=C1 BBS-00024221 [1,1,0,0,0,0|1,0,1]=4 202 B11R1.28 NCCCOC1=CC=CC=C1 BBS-00007965 [1,1,0,0,0,0|1,0,1]=4 203 B11R1.28 NNCCOC1=CC=CC=C1 BBS-00003706 [1,1,0,0,0,0|2,0,0]=4 204 B11R1.28 O=C=NCOC1=CC=CC=C1 BBS-00021805 [1,1,0,0,0,0|1,0,1]=4 205 B11R1.40 C(=O)\C(Br)=C\C1=CC=CC=C1 BBS-00003210 [1,1,0,0,0,0|0,0,2]=4 206 B11R1.40 C=CC(C)NC1=CC=CC=C1 BBS-00029326 [1,1,0,0,0,0|2,0,0]=4 207 B11R1.40 N#CC(Cl)CC1=CC=CC=C1 BBS-00016743 [1,1,0,0,0,0|1,0,1]=4 208 B11R1.40 N\C(CC1=CC=CC=C1)=N/O BBS-00013429 [1,1,0,0,0,0|1,0,1]=4 209 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 BBS-00021291 [0,1,0,0,1,0|2,0,0]=4 210 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 BBS-00003630 [0,1,0,0,1,0|2,0,0]=4 211 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 BBS-00008094 [0,1,0,0,1,0|2,0,0]=4 212 B11R1.20 N=C(N)CC1=CC=C(Br)C=C1 BBS-00032834 [0,1,0,0,1,0|2,0,0]=4 213 B11R1.20 N=C(N)CC1=CC=C(Cl)C=C1 BBS-00025128 [0,1,0,0,1,0|2,0,0]=4 214 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 BBS-00028950 [0,1,0,0,1,0|2,0,0]=4 215 B11R1.20 NC(=S)CC1=CC=C(Br)C=C1 BBS-00024179 [0,1,0,0,1,0|1,1,0]=4 216 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 BBS-00006880 [0,1,0,0,1,0|0,0,0]=2 217 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 BBS-00007001 [0,1,0,0,1,0|0,0,0]=2 218 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 BBS-00025607 [0,1,0,0,1,0|0,0,0]=2 219 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 BBS-00026349 [0,1,0,0,1,0|0,0,0]=2 220 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 BBS-00020890 [0,1,0,0,1,0|0,0,0]=2 221 B11R1.36 NC(C(=O)O)C1=NC=CC=C1 BBS-00029370 [0,1,0,0,1,0|1,0,0]=3 222 B11R1.36 O=C(Cl)C(Cl)C1=CC=CC=C1 BBS-00028117 [0,1,0,0,1,0|1,0,0]=3 223 B11R1.36 O=C(O)C(Br)C1=CC=CC=C1 BBS-00016426 [0,1,0,0,1,0|0,0,0]=2 224 B11R1.86 CC(=O)NC1=C(Cl)C=CC=C1 BBS-00017114 [0,1,0,0,1,0|2,0,0]=4 225 B11R1.86 CC1=CC=CC=C1CC(=O)O BBS-00028458 [0,1,0,0,1,0|0,0,0]=2 226 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 BBS-00027926 [0,1,0,0,1,0|0,0,0]=2 227 B11R1.86 O=C(O)CN1C=CC=CC1=O BBS-00026458 [0,1,0,0,1,0|1,0,0]=3 228 B11R1.86 O=C(O)CN1C=CC=NC1=O BBS-00032840 [0,1,0,0,1,0|2,0,0]=4 229 B11R1.157 CC(=O)NC1=CC(N)=CC=C1 BBS-00029150 [0,1,0,0,1,0|2,0,0]=4 230 B11R1.157 CC(=O)NC1=CC=CC(O)=C1 BBS-00036804 [0,1,0,0,1,0|2,0,0]=4 231 B11R1.157 NC(=O)CC1=CC(O)=CC=C1 BBS-00025615 [0,1,0,0,1,0|1,0,0]=3 232 B11R1.509 O=S(=O)(Cl)CC1=CC=CC=C1 BBS-00009717 [0,1,0,0,1,0|1,0,1]=4 233 B11R1.25 NNC(=O)CCC1=CC=CO1 BBS-00016684 [0,1,0,0,1,0|2,0,0]=4 234 B11R1.35 NC(CC1=CN=CN1)C(=O)O BBS-00028831 [0,1,0,0,1,0|2,0,0]=4 235 B11R1.35 NC(CC1=CNC=N1)C(=O)O BBS-00004484 [0,1,0,0,1,0|2,0,0]=4 236 B11R1.35 NC(CC1=CNC=N1)C(=O)O BBS-00028940 [0,1,0,0,1,0|2,0,0]=4 237 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O BBS-00027541 [0,1,0,0,1,0|2,0,0]=4 238 B11R1.75 CN1C=C(CCC(=O)O)C=N1 BBS-00029814 [0,1,0,0,1,0|2,0,0]=4 239 B11R1.75 NC1=NC(CCC(=O)O)=CS1 BBS-00013054 [0,1,0,0,1,0|2,0,0]=4 240 B11R1.75 O=C(O)CCC1=CC(Cl)=CS1 BBS-00036583 [0,1,0,0,1,0|1,0,0]=3 241 B11R1.75 O=C(O)CCC1=CC(Cl)=NO1 BBS-00033975 [0,1,0,0,1,0|2,0,0]=4 242 B11R1.75 O=C(O)CCN1C=C(Br)C=N1 BBS-00025291 [0,1,0,0,1,0|2,0,0]=4 243 B11R1.75 O=C(O)CCN1C=C(I)C=N1 BBS-00034859 [0,1,0,0,1,0|2,0,0]=4 244 B11R1.77 CC(CC(=O)O)C1=CC=CS1 BBS-00017185 [0,1,0,0,1,0|1,0,0]=3 245 B11R1.77 CC(CC(=O)O)N1C=CC=N1 BBS-00005872 [0,1,0,0,1,0|2,0,0]=4 246 B11R1.77 CC(CC(=O)O)N1C=CN=C1 BBS-00013383 [0,1,0,0,1,0|2,0,0]=4 247 B11R1.77 NC(CC(=O)O)C1=CSC=C1 BBS-00038405 [0,1,0,0,1,0|1,0,0]=3 248 B11R1.90 CC1=NC=CN1CCC(=O)O BBS-00002540 [0,1,0,0,1,0|2,0,0]=4 249 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 BBS-00011111 [0,1,0,0,0,1|0,0,1]=3 250 B13R1.45 O=C(O)CNC(=O)C1=CN=CC=C1 BBS-00011110 [0,1,0,0,0,1|1,0,1]=4 251 B13R1.45 O=C(O)CSC(=S)C1=CC=CC=C1 BBS-00025240 [0,1,0,0,0,1|0,0,1]=3 252 B13R1.45 O=C(O)\C=C\C(=O)C1=CC=CC=C1 BBS-00002157 [0,1,0,0,0,1|0,0,2]=4 253 B13R1.149 CC1=CC=CC(OCCC(=O)O)=C1 BBS-00006996 [0,1,0,0,0,1|0,0,0]=2 254 B13R1.149 O=C(O)CCOC1=CC(Cl)=CC=C1 BBS-00032429 [0,1,0,0,0,1|0,0,0]=2 255 B13R1.158 CC1=CC=CC=C1OCCC(=O)O BBS-00022153 [0,1,0,0,0,1|0,0,0]=2 256 B13R1.158 O=C(O)CCOC1=CC=CC=C1Br BBS-00022140 [0,1,0,0,0,1|0,0,0]=2 257 B13R1.158 O=C(O)CCOC1=CC=CC=C1Cl BBS-00022127 [0,1,0,0,0,1|0,0,0]=2 258 B13R1.158 O=C(O)CCOC1=CC=CC=C1F BBS-00011926 [0,1,0,0,0,1|0,0,0]=2 259 B13R1.513 CC1=CC=C(OCCC(=O)O)C=C1 BBS-00022101 [0,1,0,0,0,1|0,0,0]=2 260 B13R1.513 O=C(O)CCOC1=CC=C(Br)C=C1 BBS-00021928 [0,1,0,0,0,1|0,0,0]=2 261 B13R1.513 O=C(O)CCOC1=CC=C(Cl)C=C1 BBS-00006236 [0,1,0,0,0,1|0,0,0]=2 262 B13R1.513 O=C(O)CCOC1=CC=C(F)C=C1 BBS-00022085 [0,1,0,0,0,1|0,0,0]=2 263 B13R1.718 COC(=O)CCNC1=CC=CC=C1 BBS-00034130 [0,1,0,0,0,1|0,0,0]=2 264 B13R1.718 CSC(=S)NCCC1=CC=CC=C1 BBS-00007086 [0,1,0,0,0,1|0,2,0]=4 265 B13R1.718 NCC(=O)NCCC1=CC=CC=C1 BBS-00013451 [0,1,0,0,0,1|1,0,0]=3 266 B13R1.718 NNC(=O)CCCC1=CC=CC=C1 BBS-00024128 [0,1,0,0,0,1|1,0,0]=3 267 B13R1.718 O=C(CCCC1=CC=CC=C1)NO BBS-00028474 [0,1,0,0,0,1|0,0,0]=2 268 B13R1.718 O=C(CCl)NCCC1=CC=CC=C1 BBS-00000816 [0,1,0,0,0,1|1,0,0]=3 269 B13R1.3523 O=S(=O)(O)NCCC1=CC=CC=C1 BBS-00028862 [0,1,0,0,0,1|1,0,0]=3 270 B13R1.3 CCC1=CC=C(OCC(=O)O)C=C1 BBS-00007602 [0,2,0,0,0,0|1,0,0]=3 271 B13R1.3 CCC1=CC=C(\C=C\C(=O)O)C=C1 BBS-00038723 [0,2,0,0,0,0|0,0,2]=4 272 B13R1.3 COC1=CC=C(CCC(=O)O)C=C1 BBS-00025107 [0,2,0,0,0,0|0,0,0]=2 273 B13R1.3 COC1=CC=C(CNC(N)=O)C=C1 BBS-00029005 [0,2,0,0,0,0|2,0,0]=4 274 B13R1.3 COC1=CC=C(OCC(=O)O)C=C1 BBS-00003727 [0,2,0,0,0,0|1,0,0]=3 275 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 BBS-00000769 [0,2,0,0,0,0|0,0,2]=4 276 B13R1.3 N#CC1=CC=C(CCC(=O)O)C=C1 BBS-00016620 [0,2,0,0,0,0|0,0,0]=2 277 B13R1.14 CC1=CC=C(CNC(=O)CCl)C=C1 BBS-00027621 [0,2,0,0,0,0|2,0,0]=4 278 B13R1.14 CC1=CC=C(NCC(=O)NN)C=C1 BBS-00027861 [0,2,0,0,0,0|2,0,0]=4 279 B13R1.14 CC1=CC=C(OCC(=O)NN)C=C1 BBS-00004557 [0,2,0,0,0,0|2,0,0]=4 280 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 BBS-00039514 [0,2,0,0,0,0|0,0,0]=2 281 B13R1.14 COC(=O)CNC1=CC=C(C)C=C1 BBS-00018645 [0,2,0,0,0,0|1,0,0]=3 282 B13R1.14 COC(=O)CNC1=CC=C(Cl)C=C1 BBS-00018339 [0,2,0,0,0,0|1,0,0]=3 283 B13R1.14 COC(=O)CNC1=CC=C(F)C=C1 BBS-00018524 [0,2,0,0,0,0|1,0,0]=3 284 B13R1.14 COC(=O)COC1=CC=C(Br)C=C1 BBS-00022086 [0,2,0,0,0,0|1,0,0]=3 285 B13R1.14 COC(=O)COC1=CC=C(C)C=C1 BBS-00022103 [0,2,0,0,0,0|1,0,0]=3 286 B13R1.14 COC(=O)COC1=CC=C(Cl)C=C1 BBS-00022003 [0,2,0,0,0,0|1,0,0]=3 287 B13R1.14 COC(=O)COC1=CC=C(F)C=C1 BBS-00022088 [0,2,0,0,0,0|1,0,0]=3 288 B13R1.14 NNC(=O)CNC1=CC=C(Cl)C=C1 BBS-00039582 [0,2,0,0,0,0|2,0,0]=4 289 B13R1.14 NNC(=O)COC1=CC=C(Br)C=C1 BBS-00000535 [0,2,0,0,0,0|2,0,0]=4 290 B13R1.14 NNC(=O)COC1=CC=C(Cl)C=C1 BBS-00000480 [0,2,0,0,0,0|2,0,0]=4 291 B13R1.14 N\C(COC1=CC=C(Cl)C=C1)=N/O BBS-00012357 [0,2,0,0,0,0|2,0,0]=4 292 B13R1.14 O=C(CCl)NCC1=CC=C(Cl)C=C1 BBS-00025033 [0,2,0,0,0,0|2,0,0]=4 293 B13R1.14 O=C(CCl)NCC1=CC=C(F)C=C1 BBS-00006498 [0,2,0,0,0,0|2,0,0]=4 294 B13R1.132 CC(=O)CC(=O)C1=CC=C(Cl)C=C1 BBS-00035402 [0,2,0,0,0,0|1,0,1]=4 295 B13R1.132 CC(=O)CC(=O)C1=CC=C(F)C=C1 BBS-00028069 [0,2,0,0,0,0|1,0,1]=4 296 B13R1.132 CC(CC(=O)O)C1=CC=C(Cl)C=C1 BBS-00035847 [0,2,0,0,0,0|0,0,0]=2 297 B13R1.132 NC(CC(=O)O)C1=CC=C(Cl)C=C1 BBS-00001407 [0,2,0,0,0,0|0,0,0]=2 298 B13R1.132 NC(CC(=O)O)C1=CC=C(F)C=C1 BBS-00036435 [0,2,0,0,0,0|0,0,0]=2 299 B13R1.133 CC(OC1=CC=C(Cl)C=C1)C(=O)O BBS-00006979 [0,2,0,0,0,0|1,0,0]=3 300 B13R1.133 CC(OC1=CC=C(I)C=C1)C(=O)O BBS-00035873 [0,2,0,0,0,0|1,0,0]=3 301 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O BBS-00028073 [0,2,0,0,0,0|0,0,0]=2 302 B13R1.133 [C@H](N)(CC1=CC=C(N)C=C1)C(=O)O BBS-00032995 [0,2,0,0,0,0|0,0,0]=2 303 B13R1.164 CC1=C(OCC(=O)O)C=CC(Br)=C1 BBS-00007759 [0,2,0,0,0,0|1,0,0]=3 304 B13R1.164 CC1=CC=C(OCC(=O)O)C(C)=C1 BBS-00025141 [0,2,0,0,0,0|1,0,0]=3 305 B13R1.164 O=C(O)CCC1=C(Cl)C=C(Cl)C=C1 BBS-00016727 [0,2,0,0,0,0|0,0,0]=2 306 B13R1.164 O=C(O)CCC1=C(F)C=C(Br)C=C1 BBS-00022026 [0,2,0,0,0,0|0,0,0]=2 307 B13R1.164 O=C(O)CCC1=CC=C(O)C=C1O BBS-00012403 [0,2,0,0,0,0|0,0,0]=2 308 B13R1.164 O=C(O)CCN1C=CC(=O)NC1=O BBS-00001461 [0,2,0,0,0,0|2,0,0]=4 309 B13R1.164 O=C(O)COC1=CC=C(Br)C=C1Br BBS-00007634 [0,2,0,0,0,0|1,0,0]=3 310 B13R1.511 CC1=C(C)C=C(OCC(=O)O)C=C1 BBS-00006524 [0,2,0,0,0,0|1,0,0]=3 311 B13R1.511 CC1=CC(OCC(=O)O)=CC=C1Cl BBS-00009165 [0,2,0,0,0,0|1,0,0]=3 312 B13R1.511 O=C(O)CCC1=CC(Cl)=C(F)C=C1 BBS-00016732 [0,2,0,0,0,0|0,0,0]=2 313 B13R1.511 O=C(O)\C=C\C1=CC(Cl)=C(Cl)C=C1 BBS-00009595 [0,2,0,0,0,0|0,0,2]=4 314 B13R1.511 O=C(O)\C=C\C1=CC=C(O)C(O)=C1 BBS-00007671 [0,2,0,0,0,0|0,0,2]=4 315 B13R1.11 CC(NC(=O)CCl)C1=CC=CC=C1 BBS-00023639 [0,2,0,0,0,0|2,0,0]=4 316 B13R1.11 N\C(CS(=O)C1=CC=CC=C1)=N/O BBS-00026481 [0,2,0,0,0,0|2,0,0]=4 317 B13R1.11 N\C(C[S+]([O-])C1=CC=CC=C1)=N/O BBS-00005272 [0,2,0,0,0,0|2,0,0]=4 318 B13R1.15 CC1=CC(CNC(=O)CCl)=CC=C1 BBS-00023647 [0,2,0,0,0,0|2,0,0]=4 319 B13R1.15 CC1=CC(NCC(=O)NN)=CC=C1 BBS-00025403 [0,2,0,0,0,0|2,0,0]=4 320 B13R1.15 COC(=O)CNC1=CC(Cl)=CC=C1 BBS-00024406 [0,2,0,0,0,0|1,0,0]=3 321 B13R1.15 N\C(COC1=CC(Cl)=CC=C1)=N/O BBS-00023332 [0,2,0,0,0,0|2,0,0]=4 322 B13R1.42 CCNC(=O)CNC1=CC=CC=C1 BBS-00011084 [0,2,0,0,0,0|2,0,0]=4 323 B13R1.42 CCOC(=O)COC1=CC=CC=C1 BBS-00024690 [0,2,0,0,0,0|1,0,0]=3 324 B13R1.42 CNCC(=O)OCC1=CC=CC=C1 BBS-00032029 [0,2,0,0,0,0|2,0,0]=4 325 B13R1.42 CNCC(=O)OCC1=CC=CC=C1 BBS-00034127 [0,2,0,0,0,0|2,0,0]=4 326 B13R1.42 N#CCC(=O)NCC1=CC=CC=C1 BBS-00006378 [0,2,0,0,0,0|2,0,0]=4 327 B13R1.42 NCCC(=O)NCC1=CC=CC=C1 BBS-00013441 [0,2,0,0,0,0|2,0,0]=4 328 B13R1.42 O=C(N=C=S)OCC1=CC=CC=C1 BBS-00024267 [0,2,0,0,0,0|1,1,0]=4 329 B13R1.135 CC(OC1=CC=CC=C1)C(=O)NN BBS-00001053 [0,2,0,0,0,0|2,0,0]=4 330 B13R1.135 CN(CC1=CC=CC=C1)C(=O)CCl BBS-00006445 [0,2,0,0,0,0|2,0,0]=4 331 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 BBS-00022915 [0,2,0,0,0,0|0,0,0]=2 332 B13R1.135 NNC(=O)[C@@H](N)CC1=CC=CC=C1 BBS-00033668 [0,2,0,0,0,0|1,0,0]=3 333 B13R1.528 CC1=C(NCC(=O)NN)C=CC=C1 BBS-00028253 [0,2,0,0,0,0|2,0,0]=4 334 B13R1.528 CC1=CC=CC=C1OCC(=O)NN BBS-00001032 [0,2,0,0,0,0|2,0,0]=4 335 B13R1.528 COC(=O)COC1=CC=CC=C1Br BBS-00022142 [0,2,0,0,0,0|1,0,0]=3 336 B13R1.528 COC(=O)COC1=CC=CC=C1C BBS-00022155 [0,2,0,0,0,0|1,0,0]=3 337 B13R1.528 COC(=O)COC1=CC=CC=C1Cl BBS-00022130 [0,2,0,0,0,0|1,0,0]=3 338 B13R1.528 COC(=O)COC1=CC=CC=C1F BBS-00022117 [0,2,0,0,0,0|1,0,0]=3 339 B13R1.528 NNC(=O)COC1=C(Br)C=CC=C1 BBS-00001042 [0,2,0,0,0,0|2,0,0]=4 340 B13R1.528 N\C(COC1=C(Cl)C=CC=C1)=N/O BBS-00012358 [0,2,0,0,0,0|2,0,0]=4 341 B13R1.528 N\C(COC1=C(F)C=CC=C1)=N/O BBS-00028986 [0,2,0,0,0,0|2,0,0]=4 342 B13R1.528 O=C(CCl)NCC1=C(F)C=CC=C1 BBS-00029120 [0,2,0,0,0,0|2,0,0]=4 343 B13R1.148 CC(OC1=CC(Br)=CC=C1)C(=O)O BBS-00007781 [0,2,0,0,0,0|1,0,0]=3 344 B13R1.148 NC(CC1=CC(F)=CC=C1)C(=O)O BBS-00034069 [0,2,0,0,0,0|0,0,0]=2 345 B13R1.202 O=C(O)\C(S)=C/C1=C(Cl)C=CC=C1 BBS-00007611 [0,2,0,0,0,0|0,0,2]=4 346 B13R1.418 N#C\C(=C/C1=CC=CC=C1)C(=O)O BBS-00007761 [0,2,0,0,0,0|0,0,2]=4 347 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O BBS-00020795 [0,2,0,0,0,0|1,0,0]=3 348 B13R1.147 NC(CC(=O)O)C1=CC=CC(Cl)=C1 BBS-00026330 [0,2,0,0,0,0|0,0,0]=2 349 B13R1.147 NC(CC(=O)O)C1=CC=CC(O)=C1 BBS-00034522 [0,2,0,0,0,0|0,0,0]=2 350 B13R1.201 CC1=CC=CC=C1C(C)CC(=O)O BBS-00017190 [0,2,0,0,0,0|0,0,0]=2 351 B13R1.201 CC1=CC=CC=C1\C(C)=C\C(=O)O BBS-00017191 [0,2,0,0,0,0|0,0,2]=4 352 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1Cl BBS-00006926 [0,2,0,0,0,0|0,0,0]=2 353 B13R1.347 CC(=O)CS(=O)(=O)C1=CC=CC=C1 BBS-00008480 [0,2,0,0,0,0|2,0,0]=4 354 B13R1.347 CC(C)(CC(=O)O)C1=CC=CC=C1 BBS-00026943 [0,2,0,0,0,0|0,0,0]=2 355 B13R1.347 NC(=O)CS(=O)(=O)C1=CC=CC=C1 BBS-00019440 [0,2,0,0,0,0|2,0,0]=4 356 B13R1.347 O=C(O)CS(=O)(=O)C1=CC=CC=C1 BBS-00002853 [0,2,0,0,0,0|1,0,0]=3 357 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 BBS-00034038 [0,2,0,0,0,0|0,0,0]=2 358 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 BBS-00039238 [0,2,0,0,0,0|0,0,0]=2 359 B13R1.713 [NH3+]CC(CC(=O)[O-])C1=CC=CC=C1 BBS-00039286 [0,2,0,0,0,0|0,0,1]=3 360 B13R1.90 C(=O)C1=C(OCC(=O)O)C=CC=C1 BBS-00000749 [0,2,0,0,0,0|1,0,0]=3 361 B13R1.90 CCC1=CC=CC=C1OCC(=O)O BBS-00024729 [0,2,0,0,0,0|1,0,0]=3 362 B13R1.90 CCC1=CC=CC=C1OCC(N)=O BBS-00024708 [0,2,0,0,0,0|2,0,0]=4 363 B13R1.90 COC1=CC=CC=C1OCC(=O)O BBS-00026563 [0,2,0,0,0,0|1,0,0]=3 364 B13R1.90 COC1=CC=CC=C1\C=C\C(=O)O BBS-00007900 [0,2,0,0,0,0|0,0,2]=4 365 B13R1.90 COC1=NC=CC=C1SCC(=O)O BBS-00037387 [0,2,0,0,0,0|2,0,0]=4 366 B13R1.90 N#CC1=C(CCC(=O)O)C=CC=C1 BBS-00016629 [0,2,0,0,0,0|0,0,0]=2 367 B13R1.90 N#CC1=C(\C=C\C(=O)O)C=CC=C1 BBS-00016614 [0,2,0,0,0,0|0,0,2]=4 368 B13R1.90 N#CC1=CC=CC=C1OCC(=O)O BBS-00006419 [0,2,0,0,0,0|1,0,0]=3 369 B13R1.150 CC1=C(C)C(CCC(=O)O)=CC=C1 BBS-00016731 [0,2,0,0,0,0|0,0,0]=2 370 B13R1.150 CC1=C(C)C(OCC(=O)O)=CC=C1 BBS-00009380 [0,2,0,0,0,0|1,0,0]=3 371 B13R1.893 CC1=CC=C(C)C(OCC(=O)O)=C1 BBS-00008769 [0,2,0,0,0,0|1,0,0]=3 372 B13R1.893 CC1=CC=C(C)C(\C=C\C(=O)O)=C1 BBS-00031928 [0,2,0,0,0,0|0,0,2]=4 373 B13R1.893 O=C(O)CCN1NC(=O)C=CC1=O BBS-00002529 [0,2,0,0,0,0|2,0,0]=4 374 B13R1.3787 CC1=CC=CC(C)=C1OCC(=O)O BBS-00007717 [0,2,0,0,0,0|1,0,0]=3 375 B13R1.3787 O=C(O)\C=C\C1=C(Cl)C=CC=C1Cl BBS-00009061 [0,2,0,0,0,0|0,0,2]=4 376 B13R1.643 COC1=CC(CCC(=O)O)=CC=C1 BBS-00016729 [0,2,0,0,0,0|0,0,0]=2 377 B13R1.643 COC1=CC=CC(OCC(=O)O)=C1 BBS-00007934 [0,2,0,0,0,0|1,0,0]=3 378 B13R1.643 COC1=CC=CC(\C=C\C(=O)O)=C1 BBS-00006455 [0,2,0,0,0,0|0,0,2]=4 379 B13R1.643 N#CC1=CC=CC(\C=C\C(=O)O)=C1 BBS-00016611 [0,2,0,0,0,0|0,0,2]=4 380 B11R2.1 O=C1NCC2=CC=CC=C12 BBS-00036104 [1,0,0,1,0,0|1,0,0]=3 381 B11R2.1 O=C1OCC2=CC=CC=C12 BBS-00036131 [1,0,0,1,0,0|1,0,0]=3 382 B11R2.1 O=C1OCC2=NC=CC=C12 BBS-00024842 [1,0,0,1,0,0|2,0,0]=4 383 B11R2.1 OC1=NNC2=CC=CC=C21 BBS-00031984 [1,0,0,1,0,0|2,0,0]=4 384 B11R2.1 SC1CCC2=CC=CC=C21 BBS-00028756 [1,0,0,1,0,0|0,1,1]=4 385 B11R2.4 NC1CC1C2=CC=CC=C2 BBS-00016659 [1,0,0,1,0,0|1,0,1]=4 386 B11R2.4 N[C@H]1CC1C2=CC=CC=C2 BBS-00032397 [1,0,0,1,0,0|1,0,1]=4 387 B11R2.20 C1=CC=C2CNCCC2=C1 BBS-00021795 [1,0,0,1,0,0|2,0,0]=4 388 B11R2.20 C1=CC=C2NCCCC2=C1 BBS-00003596 [1,0,0,1,0,0|1,0,1]=4 389 B11R2.20 C1=CC=C2OCCNC2=C1 BBS-00002717 [1,0,0,1,0,0|1,0,1]=4 390 B11R2.10 CC1=NC2=CC=CC=C2O1 BBS-00020832 [0,0,0,1,1,0|2,0,0]=4 391 B11R2.10 ClC1=NC2=C(C=CC=C2)O1 BBS-00009547 [0,0,0,1,1,0|2,0,0]=4 392 B11R2.10 O=C1CC2=CC=CC=C2N1 BBS-00020878 [0,0,0,1,1,0|1,0,0]=3 393 B11R2.10 O=C1NC2=CC=CC=C2N1 BBS-00004602 [0,0,0,1,1,0|2,0,0]=4 394 B11R2.10 OC1=NC2=CC=CC=C2N1 BBS-00028822 [0,0,0,1,1,0|2,0,0]=4 395 B11R2.10 SC1=NC2=C(C=CC=C2)O1 BBS-00014313 [0,0,0,1,1,0|1,1,0]=4 396 B13R2.10 NC1=NN(C2=CC=CC=C2)CC1 BBS-00006530 [0,0,0,1,0,1|2,0,0]=4 397 B13R2.10 O=C1C=C(C2=CC=CC=C2)CC1 BBS-00023680 [0,0,0,1,0,1|1,0,0]=3 398 B13R2.10 O=C1CC(C2=CC=CC=C2)CN1 BBS-00028308 [0,0,0,1,0,1|1,0,0]=3 399 B13R2.10 OC1CCN(C2=CC=CC=C2)C1 BBS-00036423 [0,0,0,1,0,1|1,0,1]=4 400 B13R2.72 O=C(O)C1=C2C=CC=CC2=NN1 BBS-00029395 [0,0,0,1,0,1|1,0,1]=4 401 B13R2.72 O=C(O)C1=CNC2=CC=CC=C21 BBS-00023293 [0,0,0,1,0,1|0,0,2]=4 402 B13R2.72 O=C(O)C1=NNC2=CC=CC=C21 BBS-00030531 [0,0,0,1,0,1|1,0,1]=4 403 B13R2.163 O=C1CCNC2=CC=CC=C2N1 BBS-00011793 [0,0,0,1,0,1|1,0,0]=3 404 B13R2.423 CC(=O)C1CC1C2=CC=CC=C2 BBS-00016985 [0,0,0,1,0,1|1,0,0]=3 405 B13R2.423 CC(O)C1CC1C2=CC=CC=C2 BBS-00016913 [0,0,0,1,0,1|1,0,1]=4 406 B13R2.423 NC(=O)[C@H]1C[C@@H]1C2=CC=NC=C2 BBS-00024549 [0,0,0,1,0,1|2,0,0]=4 407 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 BBS-00016719 [0,0,0,1,0,1|0,0,0]=2 408 B13R2.423 O=C(O)C1CC1C2=CC=NC=C2 BBS-00016674 [0,0,0,1,0,1|1,0,0]=3 409 B13R2.423 O=C(O)C1CC1C2=CN=CC=C2 BBS-00016673 [0,0,0,1,0,1|1,0,0]=3 410 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=NC=C2 BBS-00024548 [0,0,0,1,0,1|1,0,0]=3 411 B13R2.423 O=C([O-])C1OC1C2=CC=CC=C2 BBS-00029758 [0,0,0,1,0,1|0,0,1]=3 412 B13R2.3122 O=S1(=O)CCNC2=CC=CC=C21 BBS-00006334 [0,0,0,1,0,1|1,0,1]=4 413 B13R2.155 NC1=CC2=C(C=C1)OCC(=O)N2 BBS-00021660 [0,1,0,1,0,0|2,0,0]=4 414 B13R2.155 NC1=CC2=C(C=C1)SCC(=O)N2 BBS-00014220 [0,1,0,1,0,0|2,0,0]=4 415 B13R2.155 O=C1CC2=CC(Br)=CC=C2CN1 BBS-00036711 [0,1,0,1,0,0|2,0,0]=4 416 B13R2.155 O=C1COC2=CC=C(Cl)C=C2N1 BBS-00008740 [0,1,0,1,0,0|2,0,0]=4 417 B13R2.33 O=C1CCC2=CC=CC=C2CC1 BBS-00026022 [0,1,0,1,0,0|1,0,0]=3 418 B13R2.57 O=CC1=CC2=C(C=CC=C2)OC1 BBS-00001622 [0,1,0,1,0,0|2,0,0]=4 419 B13R2.57 O=NN1CCC2=CC=CC=C2C1 BBS-00037030 [0,1,0,1,0,0|2,0,0]=4 420 B13R2.435 O=C(O)C1=CC2=CC=CC=C2N1 BBS-00034618 [0,1,0,1,0,0|0,0,2]=4 421 B13R2.435 O=C(O)C1=CC2=CC=CC=C2O1 BBS-00001643 [0,1,0,1,0,0|0,0,2]=4 422 B13R2.435 O=C(O)C1=CC2=CC=CC=C2S1 BBS-00020813 [0,1,0,1,0,0|0,0,2]=4 423 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)S1 BBS-00016756 [0,1,0,1,0,0|0,0,0]=2 424 B13R2.435 O=C(O)C1CC2=C(C=NC=C2)C1 BBS-00026237 [0,1,0,1,0,0|1,0,0]=3 425 B13R2.435 O=C(O)C1CC2=CC=CC=C2O1 BBS-00006837 [0,1,0,1,0,0|0,0,0]=2 426 B13R2.328 O=C1C=C(O)C2=CC=CC=C2O1 BBS-00000696 [0,1,0,1,0,0|0,0,2]=4 427 B13R2.5179 O=C1CC2=CC=CC(Br)=C2CN1 BBS-00036710 [0,1,0,1,0,0|2,0,0]=4 428 B13R2.3683 CC1=CC=C2NC(=O)CCC2=C1 BBS-00028570 [0,1,0,1,0,0|1,0,0]=3 429 B13R2.3683 CC1=CC=C2NC(=O)COC2=C1 BBS-00020053 [0,1,0,1,0,0|2,0,0]=4 430 B13R2.3683 NC1=CC=C2NC(=O)COC2=C1 BBS-00038226 [0,1,0,1,0,0|2,0,0]=4 431 B13R2.3683 NC1=CC=C2OC(=O)C=CC2=C1 BBS-00038338 [0,1,0,1,0,0|0,0,2]=4 432 B13R2.3683 O=C1CCC2=CC(Cl)=CC=C2N1 BBS-00027523 [0,1,0,1,0,0|1,0,0]=3 433 B13R2.3683 O=C1COC2=CC(Br)=CC=C2N1 BBS-00027654 [0,1,0,1,0,0|2,0,0]=4 434 B13R2.3683 O=C1COC2=CC(Cl)=CC=C2N1 BBS-00020052 [0,1,0,1,0,0|2,0,0]=4 435 B13R2.3683 OC1=NC2=CC=C(Cl)C=C2CC1 BBS-00028340 [0,1,0,1,0,0|1,0,0]=3 436 B9R1.6 CC(=O)C1=CC=CN=C1 BBS-00003232 [0,0,0,0,2,0|2,0,0]=4 437 B9R1.6 CC(=O)C1=CC=NC=C1 BBS-00003233 [0,0,0,0,2,0|2,0,0]=4 438 B9R1.6 CC(=O)C1=NC=CC=C1 BBS-00028098 [0,0,0,0,2,0|2,0,0]=4 439 B9R1.6 N=C(N)C1=CC=CC=C1 BBS-00029497 [0,0,0,0,2,0|2,0,0]=4 440 B9R1.6 N=C(N)C1=CC=CC=C1 BBS-00032938 [0,0,0,0,2,0|2,0,0]=4 441 B9R1.6 N=C(N)C1=CC=CC=C1 BBS-00033201 [0,0,0,0,2,0|2,0,0]=4 442 B9R1.6 N=C(O)C1=CC=NC=C1 BBS-00039027 [0,0,0,0,2,0|2,0,0]=4 443 B9R1.6 NC(=O)C1=CC=CN=C1 BBS-00039231 [0,0,0,0,2,0|2,0,0]=4 444 B9R1.6 NC(=O)C1=CC=NC=C1 BBS-00022947 [0,0,0,0,2,0|2,0,0]=4 445 B9R1.6 NC(=S)C1=CC=CC=C1 BBS-00004779 [0,0,0,0,2,0|1,1,0]=4 446 B9R1.6 O=C(Cl)C1=CC=CN=C1 BBS-00028344 [0,0,0,0,2,0|2,0,0]=4 447 B9R1.6 O=C(Cl)C1=CC=NC=C1 BBS-00025681 [0,0,0,0,2,0|2,0,0]=4 448 B9R1.6 O=C(O)C1=CC=CC=C1 BBS-00003711 [0,0,0,0,2,0|0,0,0]=2 449 B9R1.6 O=C(O)C1=CC=CN=C1 BBS-00003719 [0,0,0,0,2,0|1,0,0]=3 450 B9R1.6 O=C(O)C1=NC=CC=C1 BBS-00003720 [0,0,0,0,2,0|1,0,0]=3 451 B9R1.6 O=C(O)C1=NC=CN=C1 BBS-00003784 [0,0,0,0,2,0|2,0,0]=4 452 B9R1.6 O=C([O-])C1=CC=CC=C1 BBS-00038826 [0,0,0,0,2,0|0,0,1]=3 453 B9R1.6 O=C([O-])C1=NC=CC=C1 BBS-00022946 [0,0,0,0,2,0|1,0,1]=4 454 B9R1.6 O=S(Cl)C1=CC=CC=C1 BBS-00032151 [0,0,0,0,2,0|2,0,0]=4 455 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 BBS-00004396 [0,0,0,0,2,0|1,0,1]=4 456 B9R1.6 OB(O)C1=CC=CC=C1 BBS-00024608 [0,0,0,0,2,0|1,0,1]=4 457 B9R1.13 O=C(O)CC1=CC=CO1 BBS-00003081 [0,0,0,0,2,0|1,0,0]=3 458 B9R1.13 O=C(O)CC1=CC=CS1 BBS-00003728 [0,0,0,0,2,0|1,0,0]=3 459 B9R1.13 O=C(O)CC1=CC=NN1 BBS-00025305 [0,0,0,0,2,0|2,0,0]=4 460 B9R1.13 O=C(O)CN1C=CC=N1 BBS-00030261 [0,0,0,0,2,0|2,0,0]=4 461 B9R1.13 O=C(O)CN1C=CN=C1 BBS-00025543 [0,0,0,0,2,0|2,0,0]=4 462 B13R1.337 O=C(O)CCCNC1=NC=CC=N1 BBS-00038651 [0,0,0,0,0,2|2,0,0]=4 463 B13R1.337 O=C(O)CCCOC1=CC=CC=C1 BBS-00007709 [0,0,0,0,0,2|0,0,0]=2 464 B13R1.337 O=C(O)CC\C=C\C1=CC=CC=C1 BBS-00018164 [0,0,0,0,0,2|0,0,0]=2