0 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 BBS-00004232 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.107 CC(=O)CC(=O)C1=CC=CN=C1 BBS-00028467 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.107 CC(NC(N)=O)C1=CC=CC=C1 BBS-00036311 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.107 CN(C)CC(N)C1=CC=CC=C1 BBS-00011896 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.107 CN(C)CC(N)C1=CC=CC=C1 BBS-00029926 [0,0,0,0,0,0|4,0,0]=4 5 B12R1.107 CN(C)CC(O)C1=CC=CC=C1 BBS-00036040 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 BBS-00022455 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.16 C(=O)[CH-]C(=O)C1=CC=CC=C1 BBS-00028658 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.16 CCOC(=O)C1=CC=CC=C1 BBS-00032604 [1,0,0,0,0,0|1,0,2]=4 9 B11R1.16 COCC(N)C1=CC=CC=C1 BBS-00016624 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.91 N=C(N)SCC1=CC=CC=C1 BBS-00012767 [1,0,0,0,0,0|2,1,0]=4 11 B11R1.91 N=C(N)SCC1=CC=CC=C1 BBS-00027498 [1,0,0,0,0,0|2,1,0]=4 12 B11R1.91 NC(=O)COC1=CC=CC=C1 BBS-00024691 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.91 NC(=O)NCC1=CC=CC=C1 BBS-00028429 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.91 NC(=S)NCC1=CC=CC=C1 BBS-00018886 [1,0,0,0,0,0|2,1,0]=4 15 B11R1.91 O=C(O)C#CC1=CC=CC=C1 BBS-00010651 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.91 O=C(O)CCC1=CC=CC=C1 BBS-00022951 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.91 O=C(O)CCC1=CC=CN=C1 BBS-00032408 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.91 O=C(O)COC1=CC=CC=C1 BBS-00003724 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 BBS-00027633 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 BBS-00027634 [1,0,0,0,0,0|2,0,1]=4 21 B13R1.11 CC(NC(=O)CCl)C1=CC=CC=C1 BBS-00023639 [0,1,0,0,0,0|1,0,0]=2 22 B13R1.132 CC(=O)CC(=O)C1=CC=C(Cl)C=C1 BBS-00035402 [0,1,0,0,0,0|2,0,1]=4 23 B13R1.132 CC(=O)CC(=O)C1=CC=C(F)C=C1 BBS-00028069 [0,1,0,0,0,0|2,0,1]=4 24 B13R1.132 CC(=O)\C=C(/O)C1=CC=C(Cl)C=C1 BBS-00033089 [0,1,0,0,0,0|2,0,1]=4 25 B13R1.132 CC(CC(=O)O)C1=CC=C(Cl)C=C1 BBS-00035847 [0,1,0,0,0,0|2,0,0]=3 26 B13R1.132 CC(SC(=N)N)C1=CC=C(Cl)C=C1 BBS-00028163 [0,1,0,0,0,0|2,1,0]=4 27 B13R1.132 NC(CC(=O)O)C1=CC=C(Cl)C=C1 BBS-00001407 [0,1,0,0,0,0|3,0,0]=4 28 B13R1.132 NC(CC(=O)O)C1=CC=C(F)C=C1 BBS-00036435 [0,1,0,0,0,0|3,0,0]=4 29 B13R1.147 NC(CC(=O)O)C1=CC=CC(Cl)=C1 BBS-00026330 [0,1,0,0,0,0|3,0,0]=4 30 B13R1.147 NC(CC(=O)O)C1=CC=CC(O)=C1 BBS-00034522 [0,1,0,0,0,0|3,0,0]=4 31 B13R1.201 CC1=CC=CC=C1C(C)CC(=O)O BBS-00017190 [0,1,0,0,0,0|2,0,0]=3 32 B13R1.201 CC1=CC=CC=C1\C(C)=C\C(=O)O BBS-00017191 [0,1,0,0,0,0|2,0,1]=4 33 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1Cl BBS-00006926 [0,1,0,0,0,0|3,0,0]=4 34 B13R1.347 CC(=O)CS(=O)(=O)C1=CC=CC=C1 BBS-00008480 [0,1,0,0,0,0|3,0,0]=4 35 B13R1.347 CC(C)(CC(=O)O)C1=CC=CC=C1 BBS-00026943 [0,1,0,0,0,0|2,0,0]=3 36 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 BBS-00034038 [0,1,0,0,0,0|2,0,0]=3 37 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 BBS-00039238 [0,1,0,0,0,0|2,0,0]=3 38 B13R1.713 [NH3+]CC(CC(=O)[O-])C1=CC=CC=C1 BBS-00039286 [0,1,0,0,0,0|2,0,0]=3 39 B13R2.10 NC1=NN(C2=CC=CC=C2)CC1 BBS-00006530 [0,0,0,1,0,0|3,0,0]=4 40 B13R2.10 O=C1C=C(C2=CC=CC=C2)CC1 BBS-00023680 [0,0,0,1,0,0|1,0,1]=3 41 B13R2.10 O=C1CC(C2=CC=CC=C2)CN1 BBS-00028308 [0,0,0,1,0,0|2,0,0]=3 42 B13R2.328 CC1=CC(=O)NC2=CC=CC=C12 BBS-00028053 [0,0,0,1,0,0|2,0,1]=4 43 B13R2.328 O=C1CC2=CC=CC=C2C(=O)N1 BBS-00015771 [0,0,0,1,0,0|2,0,1]=4 44 B13R2.423 CC(=O)C1CC1C2=CC=CC=C2 BBS-00016985 [0,0,0,1,0,0|1,0,0]=2 45 B13R2.423 CC(N)C1CC1C2=CC=CC=C2 BBS-00016647 [0,0,0,1,0,0|2,0,1]=4 46 B13R2.423 CC(O)C1CC1C2=CC=CC=C2 BBS-00016913 [0,0,0,1,0,0|1,0,2]=4 47 B13R2.423 NC(=O)[C@H]1C[C@@H]1C2=CC=NC=C2 BBS-00024549 [0,0,0,1,0,0|3,0,0]=4 48 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 BBS-00016719 [0,0,0,1,0,0|2,0,0]=3 49 B13R2.423 O=C(O)C1CC1C2=CC=NC=C2 BBS-00016674 [0,0,0,1,0,0|3,0,0]=4 50 B13R2.423 O=C(O)C1CC1C2=CN=CC=C2 BBS-00016673 [0,0,0,1,0,0|3,0,0]=4 51 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=NC=C2 BBS-00024548 [0,0,0,1,0,0|3,0,0]=4 52 B13R2.423 O=C([O-])C1OC1C2=CC=CC=C2 BBS-00029758 [0,0,0,1,0,0|3,0,0]=4 53 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 BBS-00026349 [0,0,0,0,1,0|1,0,0]=2 54 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 BBS-00020890 [0,0,0,0,1,0|2,0,0]=3 55 B11R1.36 NC(C(=O)O)C1=NC=CC=C1 BBS-00029370 [0,0,0,0,1,0|3,0,0]=4 56 B11R1.36 O=C(Cl)C(Cl)C1=CC=CC=C1 BBS-00028117 [0,0,0,0,1,0|2,0,0]=3 57 B11R1.36 O=C(O)C(Br)C1=CC=CC=C1 BBS-00016426 [0,0,0,0,1,0|2,0,0]=3 58 B11R1.77 CC(CC(=O)O)C1=CC=CS1 BBS-00017185 [0,0,0,0,1,0|3,0,0]=4 59 B10R1.15 CC(CN)C1=CC=CC=C1 BBS-00006774 [2,0,0,0,0,0|1,0,1]=4 60 B10R1.15 CC(NN)C1=CC=CC=C1 BBS-00032730 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.15 C[C@@H](ON)C1=CC=CC=C1 BBS-00029917 [2,0,0,0,0,0|1,0,0]=3 62 B10R1.17 C(=O)NCC1=CC=CC=C1 BBS-00029337 [2,0,0,0,0,0|1,0,0]=3 63 B10R1.17 O=CCCC1=CC=CC=C1 BBS-00032892 [2,0,0,0,0,0|1,0,0]=3 64 B12R1.3 CCCC(CN)C1=CC=CC=C1 BBS-00015645 [1,1,0,0,0,0|1,0,1]=4 65 B12R1.16 CCNC(C)C1=CC=C(Br)C=C1 BBS-00014364 [1,1,0,0,0,0|1,0,1]=4 66 B12R1.16 CCNC(C)C1=CC=C(Br)C=C1 BBS-00032154 [1,1,0,0,0,0|1,0,1]=4 67 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 BBS-00009393 [1,1,0,0,0,0|2,0,0]=4 68 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BBS-00033603 [1,1,0,0,0,0|2,0,0]=4 69 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BBS-00038570 [1,1,0,0,0,0|2,0,0]=4 70 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 BBS-00007940 [1,1,0,0,0,0|2,0,0]=4 71 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 BBS-00016730 [1,1,0,0,0,0|2,0,0]=4 72 B12R1.27 COC(=O)CNC1=CC=CC=C1 BBS-00024335 [1,1,0,0,0,0|2,0,0]=4 73 B12R1.27 COC(=O)COC1=CC=CC=C1 BBS-00024689 [1,1,0,0,0,0|2,0,0]=4 74 B12R1.27 CSC(=S)NCC1=CC=CC=C1 BBS-00007085 [1,1,0,0,0,0|1,1,0]=4 75 B12R1.27 NCC(=O)NCC1=CC=CC=C1 BBS-00011088 [1,1,0,0,0,0|1,0,0]=3 76 B12R1.27 NNC(=O)CCC1=CC=CC=C1 BBS-00001044 [1,1,0,0,0,0|2,0,0]=4 77 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 BBS-00028477 [1,1,0,0,0,0|0,0,0]=2 78 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 BBS-00000751 [1,1,0,0,0,0|1,0,0]=3 79 B12R1.27 O=C(CCl)NCC1=NC=CC=C1 BBS-00032711 [1,1,0,0,0,0|2,0,0]=4 80 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 BBS-00033820 [1,1,0,0,0,0|1,0,0]=3 81 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 BBS-00034173 [1,1,0,0,0,0|2,0,0]=4 82 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O BBS-00028542 [1,1,0,0,0,0|2,0,0]=4 83 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O BBS-00039044 [1,1,0,0,0,0|2,0,0]=4 84 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 BBS-00016726 [1,1,0,0,0,0|2,0,0]=4 85 B12R1.226 CC(C)OCC1=CC(N)=CC=C1 BBS-00036426 [1,1,0,0,0,0|1,0,1]=4 86 B12R1.226 CC(C)OCC1=CC=CC(O)=C1 BBS-00036414 [1,1,0,0,0,0|1,0,1]=4 87 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 BBS-00016728 [1,1,0,0,0,0|2,0,0]=4 88 B12R1.20 CC(=O)N(C)C1=CC=C(Br)C=C1 BBS-00020224 [0,1,0,0,1,0|1,0,0]=3 89 B12R1.20 CC(=O)N(C)C1=CC=C(O)C=C1 BBS-00017860 [0,1,0,0,1,0|1,0,0]=3 90 B12R1.20 CC(C(=O)O)C1=CC=C(N)C=C1 BBS-00026922 [0,1,0,0,1,0|1,0,0]=3 91 B12R1.20 O=C(Cl)C(Cl)C1=CC=C(F)C=C1 BBS-00021708 [0,1,0,0,1,0|2,0,0]=4 92 B12R1.253 NC(=O)C(F)(F)C1=CC=CC=C1 BBS-00021509 [0,1,0,0,1,0|2,0,0]=4 93 B12R1.478 CC(=O)C(C#N)C1=CC=CC=C1 BBS-00002636 [0,1,0,0,1,0|0,0,1]=3 94 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 BBS-00006483 [0,1,0,0,1,0|1,0,0]=3 95 B12R1.478 CN(C)C(CN)C1=CC=CC=C1 BBS-00008323 [0,1,0,0,1,0|2,0,0]=4 96 B14R1.743 COC(=O)\C=C(/C)NC1=CC=CC=C1 BBS-00015017 [0,1,0,0,0,1|1,0,1]=4 97 B14R1.10 COC(=O)CC(N)C1=CC=C(Cl)C=C1 BBS-00032443 [0,2,0,0,0,0|2,0,0]=4 98 B14R1.1019 NCC(CC(=O)O)C1=CC=C(Cl)C=C1 BBS-00029384 [0,2,0,0,0,0|2,0,0]=4 99 B12R2.27 CNC1CC1C2=CC=CC=C2 BBS-00021925 [1,0,0,1,0,0|2,0,0]=4 100 B12R2.27 O=CC1CC1C2=CC=CC=C2 BBS-00020955 [1,0,0,1,0,0|1,0,0]=3 101 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 BBS-00029893 [1,0,0,1,0,0|1,0,0]=3 102 B12R2.18 CN1C(=O)CC2=CC=CC=C21 BBS-00023678 [0,0,0,1,1,0|1,0,0]=3 103 B12R2.18 CN1C(=O)NC2=CC=CC=C21 BBS-00023458 [0,0,0,1,1,0|2,0,0]=4 104 B12R2.18 NC1C(=O)NC2=CC=CC=C21 BBS-00034719 [0,0,0,1,1,0|2,0,0]=4 105 B12R2.18 NC1C(=O)NC2=CC=CC=C21 BBS-00038214 [0,0,0,1,1,0|2,0,0]=4 106 B12R2.1354 CC(=O)C1CC1C2=CC=CO2 BBS-00017010 [0,0,0,1,1,0|2,0,0]=4 107 B12R2.1354 CC(=O)C1CC1C2=CC=CS2 BBS-00017011 [0,0,0,1,1,0|2,0,0]=4 108 B12R2.1354 CC(=O)C1CC1C2=CSC=C2 BBS-00017014 [0,0,0,1,1,0|2,0,0]=4 109 B14R2.68 O=C1CCC(C2=CC=CC=C2)=NN1 BBS-00034339 [0,0,0,1,0,1|1,0,1]=4 110 B14R2.68 O=C1COC(C2=CC=CC=C2)CN1 BBS-00026023 [0,0,0,1,0,1|1,0,0]=3 111 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 BBS-00024229 [0,0,0,1,0,1|2,0,0]=4 112 B14R2.598 O=C1CC(C2=CC=CC=C2)C(=O)O1 BBS-00035919 [0,0,0,1,0,1|1,0,1]=4 113 B14R2.21 O=C1CCCC(C2=NC=CC=C2)N1 BBS-00026959 [0,1,0,1,0,0|2,0,0]=4 114 B14R2.260 CC1CN(C2=CC=CC=C2)NC1=O BBS-00023673 [0,1,0,1,0,0|2,0,0]=4 115 B14R2.958 COC(=O)C1OC1C2=CC=CC=C2 BBS-00036427 [0,1,0,1,0,0|2,0,0]=4 116 B14R2.958 C\C(=N\O)C1CC1C2=CC=CC=C2 BBS-00032072 [0,1,0,1,0,0|1,0,1]=4 117 B14R2.7724 CN1C(=O)CC(N)C2=CC=CC=C21 BBS-00020934 [0,1,0,1,0,0|2,0,0]=4 118 B14R2.7724 CN1C(=O)OC(=O)C2=CC=CC=C21 BBS-00033757 [0,1,0,1,0,0|1,0,1]=4 119 B14R2.4402 CC(=O)C1CC1C2=CC=C(Br)C=C2 BBS-00017005 [0,1,0,1,0,0|1,0,0]=3 120 B14R2.4402 CC(=O)C1CC1C2=CC=C(C)C=C2 BBS-00017002 [0,1,0,1,0,0|1,0,0]=3 121 B14R2.4402 CC(=O)C1CC1C2=CC=C(Cl)C=C2 BBS-00016995 [0,1,0,1,0,0|1,0,0]=3 122 B14R2.4402 CC(=O)C1CC1C2=CC=C(F)C=C2 BBS-00016650 [0,1,0,1,0,0|1,0,0]=3 123 B14R2.4402 NC(=O)C1CC1C2=CC=C(F)C=C2 BBS-00021004 [0,1,0,1,0,0|2,0,0]=4 124 B14R2.4402 O=C(O)C1CC1C2=CC=C(Br)C=C2 BBS-00016701 [0,1,0,1,0,0|2,0,0]=4 125 B14R2.4402 O=C(O)C1CC1C2=CC=C(Cl)C=C2 BBS-00020786 [0,1,0,1,0,0|2,0,0]=4 126 B14R2.4402 O=C(O)C1CC1C2=CC=C(F)C=C2 BBS-00016675 [0,1,0,1,0,0|2,0,0]=4 127 B14R2.4476 CC(=O)C1CC1C2=CC(C)=CC=C2 BBS-00016986 [0,1,0,1,0,0|1,0,0]=3 128 B14R2.4476 CC(=O)C1CC1C2=CC=CC(Cl)=C2 BBS-00016998 [0,1,0,1,0,0|1,0,0]=3 129 B14R2.4476 CC(=O)C1CC1C2=CC=CC(F)=C2 BBS-00017000 [0,1,0,1,0,0|1,0,0]=3 130 B14R2.4476 CC1=CC(C2CC2C(=O)O)=CC=C1 BBS-00016694 [0,1,0,1,0,0|2,0,0]=4 131 B14R2.4476 O=C(O)C1CC1C2=CC(Br)=CC=C2 BBS-00016683 [0,1,0,1,0,0|2,0,0]=4 132 B14R2.4476 O=C(O)C1CC1C2=CC(Cl)=CC=C2 BBS-00016682 [0,1,0,1,0,0|2,0,0]=4 133 B14R2.4476 O=C(O)C1CC1C2=CC(F)=CC=C2 BBS-00016676 [0,1,0,1,0,0|2,0,0]=4 134 B14R2.4476 O=C(O)C1CC1C2=CC(O)=CC=C2 BBS-00017225 [0,1,0,1,0,0|2,0,0]=4 135 B14R2.4514 CN1C(=O)CCC1C2=CC=CN=C2 BBS-00039151 [0,1,0,1,0,0|2,0,0]=4 136 B14R2.5443 CC(=O)C1CC1C2=C(Cl)C=CC=C2 BBS-00016637 [0,1,0,1,0,0|1,0,0]=3 137 B14R2.5443 CC(=O)C1CC1C2=CC=CC=C2Br BBS-00017004 [0,1,0,1,0,0|1,0,0]=3 138 B14R2.5443 CC(=O)C1CC1C2=CC=CC=C2C BBS-00017003 [0,1,0,1,0,0|1,0,0]=3 139 B14R2.5443 CC(=O)C1CC1C2=CC=CC=C2F BBS-00016999 [0,1,0,1,0,0|1,0,0]=3 140 B14R2.5443 O=C(O)C1CC1C2=C(Br)C=CC=C2 BBS-00020791 [0,1,0,1,0,0|2,0,0]=4 141 B14R2.5443 O=C(O)C1CC1C2=C(Cl)C=CC=C2 BBS-00016625 [0,1,0,1,0,0|2,0,0]=4 142 B14R2.5443 O=C(O)C1CC1C2=C(F)C=CC=C2 BBS-00016748 [0,1,0,1,0,0|2,0,0]=4 143 B10R1.18 CC(=O)CC1=NC=CC=C1 BBS-00032352 [1,0,0,0,1,0|1,0,0]=3 144 B10R1.18 CC(=O)NC1=CC=CC=C1 BBS-00004291 [1,0,0,0,1,0|1,0,0]=3 145 B10R1.18 N=C(N)CC1=CC=CC=C1 BBS-00021134 [1,0,0,0,1,0|2,0,0]=4 146 B10R1.18 NC(=S)CC1=CC=CC=C1 BBS-00009575 [1,0,0,0,1,0|1,1,0]=4 147 B10R1.18 O=C(O)CC1=CC=CC=C1 BBS-00039143 [1,0,0,0,1,0|1,0,0]=3 148 B10R1.18 O=C(O)CC1=CC=NC=C1 BBS-00022459 [1,0,0,0,1,0|2,0,0]=4 149 B10R1.66 CC(=O)CCC1=CC=CO1 BBS-00016807 [1,0,0,0,1,0|2,0,0]=4 150 B10R1.23 C[C@@H](C(=O)O)N1C=CC=C1 BBS-00030570 [0,0,0,0,2,0|2,0,0]=4 151 B12R1.252 NC(=O)NCCC1=CC=CC=C1 BBS-00028948 [1,0,0,0,0,1|2,0,0]=4 152 B12R1.252 NC(=S)COCC1=CC=CC=C1 BBS-00026341 [1,0,0,0,0,1|1,1,0]=4 153 B12R1.252 O=C(O)CCCC1=CC=CC=C1 BBS-00003749 [1,0,0,0,0,1|2,0,0]=4 154 B12R1.252 O=C(O)CCOC1=CC=CC=C1 BBS-00006237 [1,0,0,0,0,1|2,0,0]=4 155 B12R1.252 O=C(O)CCSC1=CC=CC=C1 BBS-00024101 [1,0,0,0,0,1|2,0,0]=4 156 B12R1.252 O=C(O)COCC1=CC=CC=C1 BBS-00025332 [1,0,0,0,0,1|1,0,0]=3 157 B12R1.252 O=C(O)CSCC1=CC=CC=C1 BBS-00006580 [1,0,0,0,0,1|1,1,0]=4 158 B12R1.252 O=C(O)\C=C\CC1=CC=CC=C1 BBS-00020956 [1,0,0,0,0,1|2,0,0]=4