0 B5R0.5 CC(Cl)C(=N)N BBS-00032606 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.5 CC(N)C(=O)O BBS-00003820 [0,0,0,0,0,0|1,0,0]=1 2 B5R0.5 CC(N)C(C)N BBS-00028767 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.5 CC(N)C(N)=O BBS-00028694 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.5 CC(O)C(=O)[O-] BBS-00028838 [0,0,0,0,0,0|0,0,1]=1 5 B5R0.5 CC(O)C(=O)[O-] BBS-00038938 [0,0,0,0,0,0|0,0,1]=1 6 B5R0.5 CN(C)C(=N)N BBS-00025081 [0,0,0,0,0,0|4,0,0]=4 7 B5R0.5 CN(C)C(=O)Cl BBS-00004352 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.5 CN(C)C(N)=S BBS-00022207 [0,0,0,0,0,0|3,1,0]=4 9 B5R0.5 C[C@H](N)C(=O)O BBS-00039166 [0,0,0,0,0,0|1,0,0]=1 10 B5R0.5 O=C([O-])C(Cl)Cl BBS-00028928 [0,0,0,0,0,0|2,0,1]=3 11 B4R0.1 C#CC(C)N BBS-00030121 [1,0,0,0,0,0|2,0,1]=4 12 B4R0.1 C=CC(C)=O BBS-00028059 [1,0,0,0,0,0|1,0,2]=4 13 B4R0.1 CC(=O)CCl BBS-00004082 [1,0,0,0,0,0|2,0,0]=3 14 B4R0.1 CC(C)CN BBS-00020833 [1,0,0,0,0,0|2,0,1]=4 15 B4R0.1 CC(C)NN BBS-00024807 [1,0,0,0,0,0|3,0,0]=4 16 B4R0.1 CC(N)CF BBS-00026269 [1,0,0,0,0,0|2,0,1]=4 17 B4R0.1 CCC(=N)N BBS-00024955 [1,0,0,0,0,0|2,0,0]=3 18 B4R0.1 CCC(N)=O BBS-00028396 [1,0,0,0,0,0|1,0,0]=2 19 B4R0.1 CNC(N)=O BBS-00036244 [1,0,0,0,0,0|2,0,0]=3 20 B4R0.1 COC(C)=O BBS-00032571 [1,0,0,0,0,0|2,0,0]=3 21 B4R0.1 C\C(N)=N\O BBS-00013452 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.1 N=C(N)CO BBS-00025049 [1,0,0,0,0,0|2,0,0]=3 23 B4R0.1 NCC(=O)O BBS-00003777 [1,0,0,0,0,0|1,0,0]=2 24 B4R0.1 O=C(Br)CBr BBS-00004286 [1,0,0,0,0,0|2,0,0]=3 25 B4R0.1 O=C(O)CO BBS-00004277 [1,0,0,0,0,0|0,0,0]=1 26 B4R0.1 O=CC(=O)O BBS-00020891 [1,0,0,0,0,0|0,0,2]=3 27 B6R0.3 C=C(F)C(=O)OC BBS-00026327 [0,1,0,0,0,0|1,0,2]=4 28 B6R0.3 CC(C)\C(N)=N\O BBS-00013453 [0,1,0,0,0,0|2,0,0]=3 29 B6R0.3 CCC(Br)C(=O)Cl BBS-00028252 [0,1,0,0,0,0|2,0,0]=3 30 B6R0.3 CCC(N)C(=O)O BBS-00028679 [0,1,0,0,0,0|1,0,0]=2 31 B6R0.3 CCC(N)C(N)=O BBS-00028220 [0,1,0,0,0,0|2,0,0]=3 32 B6R0.3 CCC(O)C(C)Br BBS-00033232 [0,1,0,0,0,0|2,0,1]=4 33 B6R0.3 CN(C)C(=O)CBr BBS-00024967 [0,1,0,0,0,0|3,0,0]=4 34 B6R0.3 CN(C)C(=O)CCl BBS-00000943 [0,1,0,0,0,0|3,0,0]=4 35 B6R0.3 CN(C)C(=O)CN BBS-00036258 [0,1,0,0,0,0|3,0,0]=4 36 B6R0.3 COC(=O)C(=O)[O-] BBS-00022961 [0,1,0,0,0,0|0,0,3]=4 37 B6R0.3 COC(=O)C(=O)[O-] BBS-00035022 [0,1,0,0,0,0|0,0,3]=4 38 B6R0.3 COC(=O)C(C)Br BBS-00028786 [0,1,0,0,0,0|1,0,0]=2 39 B6R0.3 COC(=O)C(C)Cl BBS-00028077 [0,1,0,0,0,0|1,0,0]=2 40 B6R0.3 COC(=O)C(C)N BBS-00027542 [0,1,0,0,0,0|1,0,0]=2 41 B6R0.3 COC(=O)C(C)O BBS-00028814 [0,1,0,0,0,0|0,0,0]=1 42 B6R0.3 COC(=O)[C@@H](C)N BBS-00011131 [0,1,0,0,0,0|1,0,0]=2 43 B6R0.3 COC(C)C(=N)N BBS-00032075 [0,1,0,0,0,0|2,0,0]=3 44 B6R0.3 COC(C)C(N)=O BBS-00032082 [0,1,0,0,0,0|1,0,0]=2 45 B6R0.3 NC(=O)C(N)CO BBS-00028920 [0,1,0,0,0,0|2,0,0]=3 46 B6R0.3 NC(CO)C(=O)O BBS-00027543 [0,1,0,0,0,0|1,0,0]=2 47 B6R0.3 NC(CS)C(=O)O BBS-00025588 [0,1,0,0,0,0|1,0,0]=2 48 B6R0.3 O=C(O)C(Br)CBr BBS-00032702 [0,1,0,0,0,0|1,0,0]=2 49 B6R0.3 O=C(O)C(S)CS BBS-00021075 [0,1,0,0,0,0|0,1,0]=2 50 B6R0.7 CC(C)(C)C(=N)N BBS-00033197 [0,1,0,0,0,0|3,0,0]=4 51 B6R0.7 CC(C)(C)C(N)=S BBS-00021002 [0,1,0,0,0,0|2,1,0]=4 52 B6R0.7 CC(C)(O)C(=O)O BBS-00020862 [0,1,0,0,0,0|0,0,0]=1 53 B6R0.7 CC(O)C(C)(C)N BBS-00023354 [0,1,0,0,0,0|2,0,1]=4 54 B6R1.11 CC(=O)C1CC1 BBS-00004282 [0,0,0,1,0,0|2,0,0]=3 55 B6R1.11 NC(=S)C1CC1 BBS-00025126 [0,0,0,1,0,0|2,1,0]=4 56 B6R0.2 CC(=O)CC(C)C BBS-00028076 [0,0,0,0,0,1|2,0,0]=3 57 B6R0.2 CC(C)CC(N)=O BBS-00025732 [0,0,0,0,0,1|2,0,0]=3 58 B6R0.2 CC(C)NC(=N)N BBS-00035886 [0,0,0,0,0,1|3,0,0]=4 59 B6R0.2 CC(C)OC(=S)[S-] BBS-00021896 [0,0,0,0,0,1|1,2,0]=4 60 B6R0.2 CC(N)CC(=O)O BBS-00020853 [0,0,0,0,0,1|1,0,0]=2 61 B6R0.2 CC(O)CC(C)S BBS-00029294 [0,0,0,0,0,1|1,1,1]=4 62 B6R0.2 CN(C)CC(=O)O BBS-00031818 [0,0,0,0,0,1|2,0,0]=3 63 B6R0.2 O=C(O)CC(=O)O BBS-00003780 [0,0,0,0,0,1|1,0,1]=3 64 B3R0.1 C=CC[CH2-] BBS-00027244 [2,0,0,0,0,0|1,0,1]=4 65 B3R0.1 CCNO BBS-00026502 [2,0,0,0,0,0|1,0,0]=3 66 B3R0.1 N\C=N/O BBS-00031964 [2,0,0,0,0,0|2,0,0]=4 67 B3R0.1 OCCO BBS-00004320 [2,0,0,0,0,0|0,0,1]=3 68 B3R0.1 OCCS BBS-00024265 [2,0,0,0,0,0|0,1,1]=4 69 B3R0.2 CC(=N)N BBS-00004306 [2,0,0,0,0,0|2,0,0]=4 70 B3R0.2 CC(=N)N BBS-00028162 [2,0,0,0,0,0|2,0,0]=4 71 B3R0.2 CC(N)=O BBS-00020846 [2,0,0,0,0,0|1,0,0]=3 72 B3R0.2 CC(N)=S BBS-00004249 [2,0,0,0,0,0|1,1,0]=4 73 B3R0.2 NC(N)=O BBS-00004448 [2,0,0,0,0,0|2,0,0]=4 74 B5R0.1 CC(C)N=C=O BBS-00020504 [1,1,0,0,0,0|1,0,1]=4 75 B5R0.1 CC(N)CCO BBS-00017066 [1,1,0,0,0,0|1,0,1]=4 76 B5R0.1 CNCC(=O)O BBS-00022461 [1,1,0,0,0,0|0,0,0]=2 77 B5R0.1 CNCC(N)=O BBS-00031965 [1,1,0,0,0,0|1,0,0]=3 78 B5R0.1 COCC(C)N BBS-00028799 [1,1,0,0,0,0|1,0,1]=4 79 B5R0.1 CSCC(=N)N BBS-00032851 [1,1,0,0,0,0|2,0,0]=4 80 B5R0.1 N#CCC(N)=O BBS-00016404 [1,1,0,0,0,0|1,0,1]=4 81 B5R0.1 NCCC(=O)O BBS-00028074 [1,1,0,0,0,0|0,0,0]=2 82 B5R0.1 NOCC(=O)O BBS-00039484 [1,1,0,0,0,0|0,0,0]=2 83 B5R0.1 O=C(O)CCS BBS-00038803 [1,1,0,0,0,0|0,0,0]=2 84 B5R0.3 C(=O)C(O)CO BBS-00029374 [1,1,0,0,0,0|0,0,0]=2 85 B5R0.3 C(C)=C(\C)CO BBS-00029567 [1,1,0,0,0,0|1,0,1]=4 86 B5R0.3 C=CC(=O)OC BBS-00004387 [1,1,0,0,0,0|0,0,2]=4 87 B5R0.3 CC(CN)CO BBS-00016648 [1,1,0,0,0,0|1,0,1]=4 88 B5R0.3 CC(CO)NN BBS-00022979 [1,1,0,0,0,0|1,0,1]=4 89 B5R0.3 CCC(=O)NN BBS-00028086 [1,1,0,0,0,0|1,0,0]=3 90 B5R0.3 CC\C(N)=N\O BBS-00019746 [1,1,0,0,0,0|1,0,0]=3 91 B5R0.3 CNC(=O)CBr BBS-00025180 [1,1,0,0,0,0|2,0,0]=4 92 B5R0.3 CNC(=O)NC BBS-00036243 [1,1,0,0,0,0|2,0,0]=4 93 B5R0.3 COC(=O)CN BBS-00028749 [1,1,0,0,0,0|1,0,0]=3 94 B5R0.3 NCC(=O)NO BBS-00022565 [1,1,0,0,0,0|1,0,0]=3 95 B5R0.3 O=C(CCl)CCl BBS-00020931 [1,1,0,0,0,0|2,0,0]=4 96 B5R0.3 OCC(Br)CBr BBS-00028809 [1,1,0,0,0,0|1,0,1]=4 97 B5R0.4 CC(C)(N)CO BBS-00020842 [1,1,0,0,0,0|1,0,1]=4 98 B5R0.4 CC(C)(O)C#N BBS-00004270 [1,1,0,0,0,0|1,0,1]=4 99 B7R0.2 CC(C)CC(=O)NN BBS-00039244 [0,1,0,0,0,1|2,0,0]=4 100 B7R0.2 CC(C)NC(=O)CCl BBS-00009628 [0,1,0,0,0,1|2,0,0]=4 101 B7R0.2 CC(C)OC(=O)CCl BBS-00003849 [0,1,0,0,0,1|2,0,0]=4 102 B7R0.2 CC(C)OC(=O)C[NH3+] BBS-00038711 [0,1,0,0,0,1|2,0,0]=4 103 B7R0.2 COC(=O)\C=C(\C)N BBS-00028097 [0,1,0,0,0,1|1,0,1]=4 104 B7R0.2 NC[C@H](O)CC(=O)O BBS-00024845 [0,1,0,0,0,1|0,0,0]=2 105 B7R0.16 CC(C)C(N)C(=O)O BBS-00028075 [0,1,0,0,0,1|1,0,0]=3 106 B7R0.16 CC(C)[C@H](N)C(=O)O BBS-00027540 [0,1,0,0,0,1|1,0,0]=3 107 B7R0.16 CC(O)C(N)C(=O)O BBS-00021069 [0,1,0,0,0,1|0,0,0]=2 108 B7R0.16 CC(O)C(O)C(=O)O BBS-00027358 [0,1,0,0,0,1|0,0,0]=2 109 B7R0.5 CC(=O)C(C)CCO BBS-00023798 [0,2,0,0,0,0|1,0,0]=3 110 B7R0.5 CCCC(N)C(=O)O BBS-00028258 [0,2,0,0,0,0|1,0,0]=3 111 B7R0.5 CCOC(=O)C(C)Br BBS-00029301 [0,2,0,0,0,0|1,0,0]=3 112 B7R0.5 CCOC(=O)C(C)N BBS-00028471 [0,2,0,0,0,0|1,0,0]=3 113 B7R0.5 CSC[C@H](N)C(=O)O BBS-00012287 [0,2,0,0,0,0|1,0,0]=3 114 B7R0.5 NCC[C@H](N)C(=O)O BBS-00029762 [0,2,0,0,0,0|1,0,0]=3 115 B7R0.10 CC(=N/O)\C(C)=N\O BBS-00028624 [0,2,0,0,0,0|1,0,1]=4 116 B7R0.10 COC(=O)C(N)CO BBS-00022913 [0,2,0,0,0,0|1,0,0]=3 117 B7R0.10 COC(=O)C(N)CO BBS-00028911 [0,2,0,0,0,0|1,0,0]=3 118 B7R0.10 COC(=O)C(N)CS BBS-00028309 [0,2,0,0,0,0|1,0,0]=3 119 B7R0.10 COC(C)\C(N)=N\O BBS-00025289 [0,2,0,0,0,0|1,0,0]=3 120 B7R0.10 OC(CS)C(O)CS BBS-00028966 [0,2,0,0,0,0|0,1,1]=4 121 B7R0.14 CC(C)(C)C(=O)CCl BBS-00028320 [0,2,0,0,0,0|2,0,0]=4 122 B7R0.14 CC(C)(C)C(=O)NN BBS-00024992 [0,2,0,0,0,0|2,0,0]=4 123 B7R0.15 CCC(CC)C(=O)O BBS-00028436 [0,2,0,0,0,0|1,0,0]=3 124 B5R1.3 ClCC1CO1 BBS-00004288 [1,0,0,1,0,0|1,0,1]=4 125 B7R1.2 [NH3+]C1CNC(=O)C1 BBS-00024551 [0,0,0,1,0,1|2,0,0]=4 126 B7R1.20 O=C(Cl)CC1CC1 BBS-00025311 [0,0,0,1,0,1|2,0,0]=4 127 B7R1.4 NC1CCCC1=O BBS-00029499 [0,1,0,1,0,0|2,0,0]=4 128 B7R1.4 NC1CCCC1=O BBS-00033202 [0,1,0,1,0,0|2,0,0]=4 129 B7R1.4 NC1CCSC1=O BBS-00038427 [0,1,0,1,0,0|1,1,0]=4 130 B7R1.4 NC1CON=C1O BBS-00038948 [0,1,0,1,0,0|1,0,1]=4 131 B7R1.4 N[C@@H]1CONC1=O BBS-00029394 [0,1,0,1,0,0|1,0,0]=3 132 B7R1.4 O=C1NCCC1Br BBS-00032717 [0,1,0,1,0,0|2,0,0]=4 133 B7R1.4 O=C1OCCC1Br BBS-00015213 [0,1,0,1,0,0|1,0,0]=3 134 B7R1.18 NC(=O)C1CCC1 BBS-00025117 [0,1,0,1,0,0|2,0,0]=4 135 B7R1.18 O=C(O)C1CNC1 BBS-00022024 [0,1,0,1,0,0|1,0,0]=3 136 B7R1.19 CC1(C(=O)O)CC1 BBS-00017201 [0,1,0,1,0,0|1,0,0]=3 137 B7R1.19 CC1(C(N)=O)CC1 BBS-00020997 [0,1,0,1,0,0|2,0,0]=4 138 B7R1.19 NC1(C(=O)O)CC1 BBS-00034072 [0,1,0,1,0,0|1,0,0]=3 139 B7R1.22 CNC(=O)C1CC1 BBS-00025113 [0,1,0,1,0,0|2,0,0]=4 140 B7R1.22 N\C(=N/O)C1CC1 BBS-00019745 [0,1,0,1,0,0|2,0,0]=4 141 B7R1.22 O=C(CBr)C1CC1 BBS-00013080 [0,1,0,1,0,0|2,0,0]=4 142 B7R0.6 CC(=O)NCC(=O)O BBS-00027759 [0,0,0,0,0,2|0,0,2]=4 143 B7R0.6 CC(C)CCC(=O)O BBS-00024968 [0,0,0,0,0,2|1,0,0]=3 144 B7R0.6 CC(C)CNC(N)=O BBS-00036210 [0,0,0,0,0,2|2,0,0]=4 145 B7R0.6 CN(C)CCC(=O)O BBS-00016366 [0,0,0,0,0,2|2,0,0]=4