0 B6R0.2 CC(=O)CC(C)C BBS-00028076 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.2 CC(=O)NC(N)=S BBS-00032848 [0,0,0,0,0,0|3,1,0]=4 2 B6R0.2 CC(C)CC(N)=O BBS-00025732 [0,0,0,0,0,0|1,0,0]=1 3 B6R0.2 CC(C)NC(=N)N BBS-00035886 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.2 CC(C)OC(=S)[S-] BBS-00021896 [0,0,0,0,0,0|3,1,0]=4 5 B6R0.2 CC(N)CC(=O)O BBS-00020853 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.2 CN(C)CC(=O)O BBS-00031818 [0,0,0,0,0,0|1,0,0]=1 7 B6R0.2 C\C(N)=C\C(N)=S BBS-00023754 [0,0,0,0,0,0|2,1,1]=4 8 B6R0.2 NC(=O)CC(N)=O BBS-00010699 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.2 NC(=O)CC(N)=S BBS-00000150 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.2 O=C(O)CC(=O)O BBS-00003780 [0,0,0,0,0,0|4,0,0]=4 11 B6R0.2 O=C([O-])C[N+](=O)[O-] BBS-00032645 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.1 CC(C)CNN BBS-00006851 [1,0,0,0,0,0|2,0,0]=3 13 B5R0.1 CC(C)N=C=O BBS-00020504 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 CNCC(=O)O BBS-00022461 [1,0,0,0,0,0|1,0,0]=2 15 B5R0.1 CNCC(N)=O BBS-00031965 [1,0,0,0,0,0|0,0,0]=1 16 B5R0.1 COCC(C)N BBS-00028799 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 CSCC(=N)N BBS-00032851 [1,0,0,0,0,0|2,0,0]=3 18 B5R0.1 CSCC(C)N BBS-00032559 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.1 N#CCC(N)=O BBS-00016404 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.1 N#CCC(N)=S BBS-00008551 [1,0,0,0,0,0|2,1,0]=4 21 B5R0.1 NCCC(=O)O BBS-00028074 [1,0,0,0,0,0|3,0,0]=4 22 B5R0.1 NOCC(=O)O BBS-00039484 [1,0,0,0,0,0|3,0,0]=4 23 B5R0.1 O=C(O)CCS BBS-00038803 [1,0,0,0,0,0|3,0,0]=4 24 B7R0.2 CC(C)CC(=O)NN BBS-00039244 [0,1,0,0,0,0|1,0,0]=2 25 B7R0.2 CC(C)NC(=O)CCl BBS-00009628 [0,1,0,0,0,0|3,0,0]=4 26 B7R0.2 CC(C)NC(=S)NN BBS-00006557 [0,1,0,0,0,0|2,1,0]=4 27 B7R0.2 CC(C)OC(=O)CCl BBS-00003849 [0,1,0,0,0,0|3,0,0]=4 28 B7R0.2 CC(C)OC(=O)C[NH3+] BBS-00038711 [0,1,0,0,0,0|2,0,1]=4 29 B7R0.2 CN(C)CC(O)CN BBS-00021119 [0,1,0,0,0,0|0,0,2]=3 30 B7R0.2 COC(=O)CC(=N)N BBS-00021120 [0,1,0,0,0,0|3,0,0]=4 31 B7R0.2 NC[C@H](O)CC(=O)O BBS-00024845 [0,1,0,0,0,0|3,0,0]=4 32 B7R0.9 C[N+](C)(C)CC(=N)[O-] BBS-00038819 [0,1,0,0,0,0|0,0,3]=4 33 B7R0.9 C[N+](C)(C)CC(N)=O BBS-00029426 [0,1,0,0,0,0|0,0,1]=2 34 B7R0.16 CC(=O)C(Cl)C(C)=O BBS-00027736 [0,1,0,0,0,0|3,0,0]=4 35 B7R0.16 CC(C(N)=O)C(N)=O BBS-00023360 [0,1,0,0,0,0|3,0,0]=4 36 B7R0.16 CC(C)C(N)C(=O)O BBS-00028075 [0,1,0,0,0,0|2,0,0]=3 37 B7R0.16 CC(C)[C@H](N)C(=O)O BBS-00027540 [0,1,0,0,0,0|2,0,0]=3 38 B7R0.16 CC(O)C(N)C(=O)O BBS-00021069 [0,1,0,0,0,0|3,0,0]=4 39 B7R0.16 CC(O)C(O)C(=O)O BBS-00027358 [0,1,0,0,0,0|3,0,0]=4 40 B7R1.2 CC1=CC(=O)NN1 BBS-00036439 [0,0,0,1,0,0|2,0,1]=4 41 B7R1.2 CC1=NNC(=O)C1 BBS-00019276 [0,0,0,1,0,0|2,0,0]=3 42 B7R1.2 CN1C=C(N)C=N1 BBS-00038258 [0,0,0,1,0,0|2,0,1]=4 43 B7R1.2 NC1=NNC(=O)C1 BBS-00012846 [0,0,0,1,0,0|3,0,0]=4 44 B7R1.2 [NH3+]C1CNC(=O)C1 BBS-00024551 [0,0,0,1,0,0|2,0,0]=3 45 B7R1.16 CC1CC(C)(C)N1 BBS-00016638 [0,0,0,1,0,0|2,0,1]=4 46 B7R1.20 O=C(Cl)CC1CC1 BBS-00025311 [0,0,0,1,0,0|2,0,0]=3 47 B5R0.5 CC(Cl)C(=N)N BBS-00032606 [0,0,0,0,1,0|3,0,0]=4 48 B5R0.5 CC(N)C(=O)O BBS-00003820 [0,0,0,0,1,0|3,0,0]=4 49 B5R0.5 CC(N)C(N)=O BBS-00028694 [0,0,0,0,1,0|2,0,0]=3 50 B5R0.5 CC(O)C(=O)[O-] BBS-00028838 [0,0,0,0,1,0|3,0,0]=4 51 B5R0.5 CC(O)C(=O)[O-] BBS-00038938 [0,0,0,0,1,0|3,0,0]=4 52 B5R0.5 CN(C)C(=N)N BBS-00025081 [0,0,0,0,1,0|1,0,0]=2 53 B5R0.5 CN(C)C(=O)Cl BBS-00004352 [0,0,0,0,1,0|1,0,0]=2 54 B5R0.5 CN(C)C(N)=S BBS-00022207 [0,0,0,0,1,0|0,1,0]=2 55 B5R0.5 C[C@H](N)C(=O)O BBS-00039166 [0,0,0,0,1,0|3,0,0]=4 56 B7R0.6 CC(=O)CCC(C)=O BBS-00004255 [0,0,0,0,0,1|3,0,0]=4 57 B7R0.6 CC(=O)NCC(=O)O BBS-00027759 [0,0,0,0,0,1|3,0,0]=4 58 B7R0.6 CC(C)CCC(=O)O BBS-00024968 [0,0,0,0,0,1|2,0,0]=3 59 B7R0.6 CC(C)CNC(N)=O BBS-00036210 [0,0,0,0,0,1|1,0,0]=2 60 B7R0.6 CN(C)CCC(=O)O BBS-00016366 [0,0,0,0,0,1|1,0,0]=2 61 B7R0.6 NC(=O)CNC(N)=S BBS-00028776 [0,0,0,0,0,1|3,0,0]=4 62 B4R0.1 CC(=O)CCl BBS-00004082 [2,0,0,0,0,0|2,0,0]=4 63 B4R0.1 CC(C)CN BBS-00020833 [2,0,0,0,0,0|1,0,0]=3 64 B4R0.1 CC(C)NN BBS-00024807 [2,0,0,0,0,0|2,0,0]=4 65 B4R0.1 CCC(=N)N BBS-00024955 [2,0,0,0,0,0|1,0,0]=3 66 B4R0.1 CCC(N)=O BBS-00028396 [2,0,0,0,0,0|0,0,0]=2 67 B4R0.1 CNC(N)=O BBS-00036244 [2,0,0,0,0,0|0,0,0]=2 68 B4R0.1 COC(C)=O BBS-00032571 [2,0,0,0,0,0|2,0,0]=4 69 B4R0.1 N=C(N)CO BBS-00025049 [2,0,0,0,0,0|2,0,0]=4 70 B4R0.1 NCC(=O)O BBS-00003777 [2,0,0,0,0,0|1,0,0]=3 71 B4R0.1 NNC(N)=S BBS-00004328 [2,0,0,0,0,0|1,1,0]=4 72 B4R0.1 O=C(Br)CBr BBS-00004286 [2,0,0,0,0,0|2,0,0]=4 73 B4R0.1 O=C(O)CO BBS-00004277 [2,0,0,0,0,0|2,0,0]=4 74 B4R0.2 CCCNN BBS-00032546 [2,0,0,0,0,0|2,0,0]=4 75 B4R0.2 CNCCI BBS-00032731 [2,0,0,0,0,0|1,0,1]=4 76 B6R0.1 CCC\C(N)=N\O BBS-00019744 [1,1,0,0,0,0|1,0,1]=4 77 B6R0.1 CCOC(=O)CN BBS-00028667 [1,1,0,0,0,0|2,0,0]=4 78 B6R0.1 CNC(=O)CC#N BBS-00019732 [1,1,0,0,0,0|2,0,0]=4 79 B6R0.1 CNCC(=O)NC BBS-00025000 [1,1,0,0,0,0|0,0,0]=2 80 B6R0.1 CNCC(=O)OC BBS-00020136 [1,1,0,0,0,0|1,0,0]=3 81 B6R0.1 N#CCC(=O)NN BBS-00004788 [1,1,0,0,0,0|2,0,0]=4 82 B6R0.3 CC(CN)N(C)C BBS-00008309 [1,1,0,0,0,0|0,0,1]=3 83 B6R0.3 CCC(Br)C(=O)Cl BBS-00028252 [1,1,0,0,0,0|2,0,0]=4 84 B6R0.3 CCC(N)C(=O)O BBS-00028679 [1,1,0,0,0,0|2,0,0]=4 85 B6R0.3 CCC(N)C(N)=O BBS-00028220 [1,1,0,0,0,0|1,0,0]=3 86 B6R0.3 CN(C)C(=O)CN BBS-00036258 [1,1,0,0,0,0|0,0,2]=4 87 B6R0.3 COC(C)C(=N)N BBS-00032075 [1,1,0,0,0,0|2,0,0]=4 88 B6R0.3 COC(C)C(N)=O BBS-00032082 [1,1,0,0,0,0|1,0,0]=3 89 B6R0.3 NC(=O)C(N)CO BBS-00028920 [1,1,0,0,0,0|2,0,0]=4 90 B6R0.4 CC(C)CN=C=O BBS-00018035 [1,1,0,0,0,0|1,0,1]=4 91 B6R0.4 CN(C)CCC#N BBS-00032668 [1,1,0,0,0,0|0,0,2]=4 92 B6R0.4 CN(C)CCNN BBS-00024830 [1,1,0,0,0,0|0,0,1]=3 93 B6R0.4 COCCC(=N)N BBS-00021181 [1,1,0,0,0,0|2,0,0]=4 94 B6R0.4 NCCCC(=O)O BBS-00028541 [1,1,0,0,0,0|2,0,0]=4 95 B6R0.4 O=C(O)CCCBr BBS-00039490 [1,1,0,0,0,0|2,0,0]=4 96 B6R0.5 CC(C)(C)CNN BBS-00024836 [1,1,0,0,0,0|2,0,0]=4 97 B6R0.7 CC(C)(C)C(=N)N BBS-00033197 [0,1,0,0,1,0|2,0,0]=4 98 B6R0.7 CC(C)(C)C(N)=S BBS-00021002 [0,1,0,0,1,0|1,1,0]=4 99 B6R0.7 CC(C)(O)C(=O)O BBS-00020862 [0,1,0,0,1,0|2,0,0]=4 100 B8R0.9 CC(C)CNC(=O)CCl BBS-00023610 [0,1,0,0,0,1|2,0,0]=4 101 B8R0.23 CC(=O)CC(=O)N(C)C BBS-00006508 [0,1,0,0,0,1|1,0,0]=3 102 B8R0.23 CC(C)CC(N)C(=O)O BBS-00027539 [0,1,0,0,0,1|2,0,0]=4 103 B8R0.23 CC(C)C[C@H](N)C(=O)O BBS-00039169 [0,1,0,0,0,1|2,0,0]=4 104 B8R0.23 CN(C)\C(N)=N\C(=N)N BBS-00038840 [0,1,0,0,0,1|1,0,1]=4 105 B8R0.29 CC(C)(N)CCC(=O)O BBS-00026952 [0,1,0,0,0,1|2,0,0]=4 106 B8R0.29 CN(C)CCS(=O)(=O)O BBS-00034367 [0,1,0,0,0,1|2,0,0]=4 107 B8R0.2 CCC(C)C(N)C(=O)O BBS-00028939 [0,2,0,0,0,0|2,0,0]=4 108 B8R0.2 CCC(C)[C@H](N)C(=O)O BBS-00038982 [0,2,0,0,0,0|2,0,0]=4 109 B8R0.2 CNC(=O)C(Cl)C(C)=O BBS-00006458 [0,2,0,0,0,0|2,0,0]=4 110 B8R0.2 COC(=O)C(N)C(C)C BBS-00022914 [0,2,0,0,0,0|2,0,0]=4 111 B8R0.2 COC(=O)[C@@H](N)C(C)C BBS-00027469 [0,2,0,0,0,0|2,0,0]=4 112 B8R0.16 CCN(CC)CC(=O)O BBS-00036926 [0,2,0,0,0,0|1,0,0]=3 113 B8R0.16 CC\C(C=O)=C\N(C)C BBS-00037149 [0,2,0,0,0,0|1,0,1]=4 114 B8R0.16 CN(C)\C=C(\C#N)C=O BBS-00035890 [0,2,0,0,0,0|0,0,2]=4 115 B8R0.19 CCC(C)NC(=O)NC BBS-00039118 [0,2,0,0,0,0|2,0,0]=4 116 B8R0.27 CP(C)(=O)C(O)C(=O)O BBS-00023177 [0,2,0,0,0,0|1,1,0]=4 117 B6R1.2 NC1=NCCC1 BBS-00028871 [1,0,0,1,0,0|2,0,0]=4 118 B6R1.2 O=C1CCNC1 BBS-00029850 [1,0,0,1,0,0|1,0,0]=3 119 B6R1.3 NCCC1CC1 BBS-00025097 [1,0,0,1,0,0|1,0,1]=4 120 B6R1.3 NNCC1CC1 BBS-00026257 [1,0,0,1,0,0|2,0,0]=4 121 B6R1.8 CC1CC1CN BBS-00017216 [1,0,0,1,0,0|1,0,1]=4 122 B6R1.9 CC1(C)CC1N BBS-00017200 [1,0,0,1,0,0|1,0,1]=4 123 B6R1.11 CC(=O)C1CC1 BBS-00004282 [1,0,0,1,0,0|2,0,0]=4 124 B6R1.11 NC(=S)C1CC1 BBS-00025126 [1,0,0,1,0,0|1,1,0]=4 125 B8R1.3 CC1=NNC(=O)CC1 BBS-00008246 [0,0,0,1,0,1|2,0,0]=4 126 B8R1.3 CC1CCC(=O)CC1 BBS-00038787 [0,0,0,1,0,1|2,0,0]=4 127 B8R1.3 CN1CCC(N)CC1 BBS-00005327 [0,0,0,1,0,1|1,0,1]=4 128 B8R1.3 O=C1CNC(=O)CN1 BBS-00016505 [0,0,0,1,0,1|2,0,0]=4 129 B8R1.23 CC1CC(C(=O)O)C1 BBS-00025082 [0,0,0,1,0,1|2,0,0]=4 130 B8R1.23 NC(=O)N1CC(N)C1 BBS-00034810 [0,0,0,1,0,1|2,0,0]=4 131 B8R1.51 C[Si]1(C)CCC(=O)C1 BBS-00030055 [0,0,0,1,0,1|2,0,0]=4 132 B8R1.77 CC1(C)CC1C(=O)O BBS-00017197 [0,0,0,1,0,1|2,0,0]=4 133 B8R1.1 NCC1CNC(=O)O1 BBS-00024564 [0,1,0,1,0,0|2,0,0]=4 134 B8R1.1 O=C1NCC(CCl)O1 BBS-00003979 [0,1,0,1,0,0|2,0,0]=4 135 B8R1.4 CN1CCCC(=O)C1 BBS-00032400 [0,1,0,1,0,0|1,0,0]=3 136 B8R1.18 CC1=C(C)NC(=O)N1 BBS-00022742 [0,1,0,1,0,0|2,0,0]=4 137 B8R1.18 CC1=CC(N)=NN1C BBS-00025093 [0,1,0,1,0,0|2,0,0]=4 138 B8R1.18 CN1CC(=O)OC1=O BBS-00026127 [0,1,0,1,0,0|1,0,1]=4 139 B8R1.34 NC(=O)NC1CNC1 BBS-00036904 [0,1,0,1,0,0|2,0,0]=4 140 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O BBS-00020927 [0,1,0,1,0,0|2,0,0]=4 141 B8R1.50 CC1=NNC(=O)C1Br BBS-00039175 [0,1,0,1,0,0|2,0,0]=4 142 B8R1.50 CC1=NNC(=O)C1S BBS-00039029 [0,1,0,1,0,0|2,0,0]=4 143 B8R1.54 NC(=O)C(N)C1CC1 BBS-00032829 [0,1,0,1,0,0|1,0,0]=3 144 B8R2.38 O=C1OCC2CC12 BBS-00027240 [0,0,0,2,0,0|2,0,0]=4 145 B8R0.28 CC(C)=NNCC(=O)O BBS-00030109 [0,0,0,0,0,2|2,0,0]=4 146 B8R0.28 CC(C)NCCC(=O)O BBS-00022956 [0,0,0,0,0,2|2,0,0]=4 147 B8R0.28 CN(C)CCCC(=O)O BBS-00027570 [0,0,0,0,0,2|1,0,0]=3