0 B6R0.3 CCC(Br)C(=O)O BB_SC-09405 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.3 C\C=C(/C)C(=O)O BB_NC-02228 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.3 NC(CO)C(=O)O BB_SC-09461 [0,0,0,0,0,0|0,1,0]=1 3 B6R0.3 N[C@@H](CS)C(=O)O BB_NC-02302 [0,0,0,0,0,0|0,0,0]=0 4 B5R0.1 C=C(C)CCO BB_NC-02269 [1,0,0,0,0,0|2,1,0]=4 5 B5R0.1 CC(=O)CCO BB_SC-06926 [1,0,0,0,0,0|1,1,0]=3 6 B5R0.1 CC(C)CCS BB_SC-06570 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.1 CC(O)CCO BB_SC-11995 [1,0,0,0,0,0|1,1,1]=4 8 B5R0.1 CCCC(=O)Cl BB_SC-06847 [1,0,0,0,0,0|2,0,0]=3 9 B5R0.1 CCCC(C)O BB_SC-07025 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.1 CCC[N+](=O)[O-] BB_SC-06933 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.1 CCOC(=O)Cl BB_SC-07081 [1,0,0,0,0,0|3,0,0]=4 12 B5R0.1 CNCC(=O)O BB_NC-02298 [1,0,0,0,0,0|2,0,0]=3 13 B5R0.1 CNCC(N)=O BB_NC-02649 [1,0,0,0,0,0|3,0,0]=4 14 B5R0.1 COCC(=O)Cl BB_SC-11218 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.1 CSCC(C)=O BB_SC-12665 [1,0,0,0,0,0|3,0,0]=4 16 B5R0.1 C\C=C\C(=O)O BB_NC-02305 [1,0,0,0,0,0|1,0,2]=4 17 B5R0.1 N#CCC(=O)O BB_SC-07146 [1,0,0,0,0,0|1,0,1]=3 18 B5R0.1 N#CCC(N)=O BB_SC-06719 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.1 NC(=O)CCCl BB_SC-07003 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.1 NCCC(=O)O BB_SC-12000 [1,0,0,0,0,0|1,0,0]=2 21 B5R0.1 O=C(Cl)CCBr BB_SC-07207 [1,0,0,0,0,0|2,0,0]=3 22 B5R0.1 O=C(Cl)CCCl BB_SC-06831 [1,0,0,0,0,0|2,0,0]=3 23 B5R0.1 O=C(O)CCBr BB_SC-12703 [1,0,0,0,0,0|1,0,0]=2 24 B5R0.1 O=C(O)CCCl BB_SC-06966 [1,0,0,0,0,0|1,0,0]=2 25 B5R0.3 CCC(N)CO BB_SC-06587 [1,0,0,0,0,0|1,0,1]=3 26 B5R0.3 OCC(O)CCl BB_SC-06682 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.5 C=C(C)C(=O)Cl BB_SC-00220 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.5 C=C(C)C(=O)O BB_NC-02230 [1,0,0,0,0,0|1,0,1]=3 29 B5R0.5 C=C(C)C(N)=O BB_SC-06844 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.5 CC(=O)C(=O)O BB_SC-07199 [1,0,0,0,0,0|1,0,1]=3 31 B5R0.5 CC(=O)C(C)=O BB_SC-08804 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.5 CC(C)C(=N)N BB_SC-09590 [1,0,0,0,0,0|3,0,0]=4 33 B5R0.5 CC(C)C(=O)Cl BB_SC-12003 [1,0,0,0,0,0|2,0,0]=3 34 B5R0.5 CC(C)C(=O)O BB_SC-06843 [1,0,0,0,0,0|1,0,0]=2 35 B5R0.5 CC(C)[N+](=O)[O-] BB_SC-07078 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.5 CC(O)C(N)=O BB_SC-07034 [1,0,0,0,0,0|2,0,0]=3 37 B5R0.5 CC(S)C(=O)O BB_SC-09380 [1,0,0,0,0,0|1,0,0]=2 38 B5R0.5 CN(C)C(=O)Cl BB_SC-11217 [1,0,0,0,0,0|3,0,0]=4 39 B5R0.5 C[C@H](N)C(N)=O BB_NC-02403 [1,0,0,0,0,0|1,0,0]=2 40 B5R0.5 C[C@H](O)C(=O)O BB_NC-02324 [1,0,0,0,0,0|1,0,0]=2 41 B5R0.5 NC(=O)C(Cl)Cl BB_SC-08831 [1,0,0,0,0,0|3,0,0]=4 42 B5R0.5 O=C(Cl)C(Cl)Cl BB_SC-06836 [1,0,0,0,0,0|3,0,0]=4 43 B5R0.5 O=C(O)C(Cl)Cl BB_SC-06987 [1,0,0,0,0,0|2,0,0]=3 44 B7R0.10 [C@H](N)(CO)C(=O)OC BB_NC-02218 [0,1,0,0,0,0|0,1,0]=2 45 B7R0.16 CC(C(=O)O)C(=O)O BB_SC-06503 [0,1,0,0,0,0|1,1,1]=4 46 B7R0.16 CC(C)C(Br)C(=O)O BB_SC-00176 [0,1,0,0,0,0|2,0,0]=3 47 B7R0.16 CC(O)C(N)C(=O)O BB_SC-09459 [0,1,0,0,0,0|0,1,0]=2 48 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O BB_NC-03162 [0,1,0,0,0,0|0,1,0]=2 49 B7R1.4 NC1CCOC1=O BB_NC-01193 [0,0,0,1,0,0|1,0,0]=2 50 B7R1.4 NC1CCSC1=O BB_SC-05358 [0,0,0,1,0,0|1,1,0]=3 51 B7R1.4 NC1CSCC1O BB_NC-00016 [0,0,0,1,0,0|1,0,1]=3 52 B7R1.4 N[C@@H]1CONC1=O BB_NC-01631 [0,0,0,1,0,0|1,1,0]=3 53 B7R1.4 O=C1OCCC1Br BB_SC-08882 [0,0,0,1,0,0|2,0,0]=3 54 B7R1.18 O=C(O)C1CCC1 BB_SC-05515 [0,0,0,1,0,0|2,0,0]=3 55 B7R1.18 O=C(O)C1CNC1 BB_SC-12413 [0,0,0,1,0,0|2,0,0]=3 56 B4R0.1 C#CC(=O)O BB_SC-06516 [2,0,0,0,0,0|0,0,2]=4 57 B4R0.1 CC(=O)CCl BB_SC-12393 [2,0,0,0,0,0|2,0,0]=4 58 B4R0.1 CC(=O)CO BB_SC-06929 [2,0,0,0,0,0|1,1,0]=4 59 B4R0.1 CC(C)C=O BB_SC-11515 [2,0,0,0,0,0|1,0,0]=3 60 B4R0.1 CC(N)CN BB_SC-06623 [2,0,0,0,0,0|1,0,1]=4 61 B4R0.1 CC(O)CCl BB_SC-06971 [2,0,0,0,0,0|2,0,0]=4 62 B4R0.1 CC(O)CO BB_SC-07047 [2,0,0,0,0,0|1,0,1]=4 63 B4R0.1 CCC(=O)Cl BB_SC-06942 [2,0,0,0,0,0|1,0,0]=3 64 B4R0.1 CCC(C)=O BB_SC-06989 [2,0,0,0,0,0|1,0,0]=3 65 B4R0.1 CCC(C)N BB_SC-06740 [2,0,0,0,0,0|1,0,1]=4 66 B4R0.1 CCC(C)O BB_SC-07031 [2,0,0,0,0,0|1,0,1]=4 67 B4R0.1 CNC(N)=O BB_SC-07198 [2,0,0,0,0,0|2,0,0]=4 68 B4R0.1 COC(=O)Cl BB_SC-07075 [2,0,0,0,0,0|2,0,0]=4 69 B4R0.1 COC(N)=O BB_SC-06903 [2,0,0,0,0,0|2,0,0]=4 70 B4R0.1 C\C(N)=N\O BB_SC-09052 [2,0,0,0,0,0|1,0,1]=4 71 B4R0.1 NC(=O)CCl BB_SC-06849 [2,0,0,0,0,0|1,0,1]=4 72 B4R0.1 NNC(N)=O BB_SC-07175 [2,0,0,0,0,0|2,0,0]=4 73 B4R0.1 O=C(Br)CBr BB_SC-06823 [2,0,0,0,0,0|2,0,0]=4 74 B4R0.1 O=C(Cl)CCl BB_SC-06733 [2,0,0,0,0,0|2,0,0]=4 75 B4R0.1 O=C(O)CCl BB_SC-12338 [2,0,0,0,0,0|1,0,0]=3 76 B4R0.1 O=C(O)CI BB_SC-06475 [2,0,0,0,0,0|1,0,0]=3 77 B4R0.1 [C@H](C)(O)CN BB_NC-02322 [2,0,0,0,0,0|1,0,1]=4 78 B4R0.2 OCCCBr BB_SC-07264 [2,0,0,0,0,0|1,0,1]=4 79 B6R0.1 COC(=O)CC#N BB_SC-06876 [1,1,0,0,0,0|1,0,1]=4 80 B6R0.1 COC(=O)CCBr BB_SC-11223 [1,1,0,0,0,0|1,0,0]=3 81 B6R0.1 COC(=O)CCN BB_NC-01738 [1,1,0,0,0,0|1,0,0]=3 82 B6R0.2 CC(=O)CC(C)C BB_SC-12684 [1,1,0,0,0,0|2,0,0]=4 83 B6R0.2 CC(C)CC(=O)Cl BB_SC-06957 [1,1,0,0,0,0|2,0,0]=4 84 B6R0.2 CC(C)CC(=O)O BB_NC-02309 [1,1,0,0,0,0|1,0,0]=3 85 B6R0.2 CC(O)CC(=O)O BB_NC-02216 [1,1,0,0,0,0|0,1,0]=3 86 B6R0.2 CN(C)CC(=O)O BB_SC-06622 [1,1,0,0,0,0|2,0,0]=4 87 B6R0.4 C=CCCC(=O)O BB_NC-02314 [1,1,0,0,0,0|1,0,0]=3 88 B6R0.4 CC(=O)CCCCl BB_SC-07709 [1,1,0,0,0,0|2,0,0]=4 89 B6R0.4 CC(=O)NCCN BB_SC-10762 [1,1,0,0,0,0|2,0,0]=4 90 B6R0.4 CCCCC(=O)Cl BB_SC-06859 [1,1,0,0,0,0|2,0,0]=4 91 B6R0.4 CCCCC(C)=O BB_SC-06917 [1,1,0,0,0,0|2,0,0]=4 92 B6R0.4 CC\C=C\C(=O)O BB_NC-02316 [1,1,0,0,0,0|1,0,1]=4 93 B6R0.4 NCCCC(=O)O BB_NC-02785 [1,1,0,0,0,0|1,0,0]=3 94 B6R0.4 O=C(Cl)CCCCl BB_SC-06828 [1,1,0,0,0,0|2,0,0]=4 95 B6R0.5 O=S(=O)([O-])CCS BB_SC-05473 [1,1,0,0,0,0|1,0,1]=4 96 B6R0.8 CC(N)(CO)CO BB_SC-06454 [1,1,0,0,0,0|0,1,1]=4 97 B6R0.7 CC(C)(C)C(=O)Cl BB_SC-06723 [1,1,0,0,0,0|2,0,0]=4 98 B6R0.7 CC(C)(N)C(=O)O BB_SC-07216 [1,1,0,0,0,0|0,0,0]=2 99 B6R0.7 O=C(O)C(Cl)(Cl)Cl BB_SC-06768 [1,1,0,0,0,0|2,0,0]=4 100 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O BB_NC-02214 [0,1,0,0,0,1|0,1,1]=4 101 B8R0.3 CCOC(=O)C(Br)CBr BB_SC-07193 [0,2,0,0,0,0|2,0,0]=4 102 B8R0.3 [C@H](N)(CS)C(=O)OCC BB_NC-02280 [0,2,0,0,0,0|0,0,0]=2 103 B8R0.8 CCCCC(Br)C(=O)O BB_SC-06728 [0,2,0,0,0,0|2,0,0]=4 104 B8R0.8 CCCCC(N)C(=O)O BB_SC-08743 [0,2,0,0,0,0|1,0,0]=3 105 B8R0.8 CSCCC(N)C(=O)O BB_NC-01175 [0,2,0,0,0,0|0,0,0]=2 106 B8R0.13 CC(C)(CCl)C(=O)NO BB_SC-05360 [0,2,0,0,0,0|2,0,0]=4 107 B8R0.36 CC(CO)(CO)C(=O)O BB_SC-07140 [0,2,0,0,0,0|1,1,0]=4 108 B8R0.27 [C@H](N)(C(=O)O)C(C)(C)S BB_NC-01043 [0,2,0,0,0,0|0,0,0]=2 109 B8R0.27 [C@H](N)(C(=O)O)C(C)(C)S BB_NC-02929 [0,2,0,0,0,0|0,0,0]=2 110 B8R0.18 CCC(C(=O)O)C(=O)O BB_SC-06625 [0,2,0,0,0,0|2,0,0]=4 111 B6R1.2 O=C1CCCC1 BB_SC-09627 [1,0,0,1,0,0|2,0,0]=4 112 B6R1.2 O=C1CCSC1 BB_SC-08806 [1,0,0,1,0,0|1,0,0]=3 113 B6R1.2 O=C1NCCO1 BB_SC-06954 [1,0,0,1,0,0|2,0,0]=4 114 B6R1.2 O=C1OCCO1 BB_SC-06807 [1,0,0,1,0,0|2,0,0]=4 115 B6R1.11 CC(=O)C1CC1 BB_SC-06709 [1,0,0,1,0,0|2,0,0]=4 116 B6R1.11 O=C(Cl)C1CC1 BB_SC-06556 [1,0,0,1,0,0|2,0,0]=4 117 B6R1.11 O=C(O)C1CC1 BB_SC-06673 [1,0,0,1,0,0|1,0,0]=3 118 B8R1.7 NC(=O)C1CCCN1 BB_NC-01913 [0,1,0,1,0,0|2,0,0]=4 119 B8R1.7 O=C(O)C1CCCO1 BB_SC-06862 [0,1,0,1,0,0|2,0,0]=4 120 B8R1.7 O=C(O)C1CSCN1 BB_NC-00047 [0,1,0,1,0,0|0,0,0]=2 121 B8R1.7 O=C(O)C1NCCS1 BB_SC-11907 [0,1,0,1,0,0|1,0,0]=3 122 B8R1.23 O=C1CC(C(=O)O)C1 BB_SC-07711 [0,1,0,1,0,0|1,1,0]=4 123 B8R1.30 C[C@]1(C(=O)O)C[C@@H]1Br BB_SC-02689 [0,1,0,1,0,0|2,0,0]=4