0 B8R0.23 CC(=O)NC(C)C(=O)O BB_NC-00510 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.23 CC(C)C[C@H](N)C(N)=O BB_NC-02379 [0,0,0,0,0,0|1,0,0]=1 2 B8R0.23 O=C(O)CC(S)C(=O)O BB_SC-07196 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O BB_NC-02214 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.6 CC(=O)C=CC(C)C BB_NC-02028 [1,0,0,0,0,0|1,0,2]=4 5 B7R0.6 CC(=O)CCC(=O)O BB_SC-00144 [1,0,0,0,0,0|1,0,1]=3 6 B7R0.6 CC(=O)CCC(C)=O BB_SC-06911 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.6 CC(C)COC(=O)Cl BB_SC-06877 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.6 CC(C)OCC(=O)O BB_SC-05189 [1,0,0,0,0,0|1,0,0]=2 9 B9R0.23 COC(=O)[C@@H](N)CC(C)C BB_NC-01737 [0,1,0,0,0,0|0,0,0]=1 10 B9R0.39 CNC(CC(=O)O)C(=O)O BB_NC-01943 [0,1,0,0,0,0|2,0,1]=4 11 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 BB_SC-09426 [0,0,0,1,0,0|1,0,0]=2 12 B9R1.38 CC1CC(C)S(=O)(=O)C1 BB_SC-06721 [0,0,0,1,0,0|2,0,1]=4 13 B9R1.169 CC1(C(=O)O)CC1(Br)Br BB_SC-00174 [0,0,0,1,0,0|3,0,0]=4 14 B9R1.169 CC1(C(=O)O)CC1(Cl)Cl BB_SC-05439 [0,0,0,1,0,0|3,0,0]=4 15 B7R0.16 CC(C)C(Br)C(=O)O BB_SC-00176 [0,0,0,0,1,0|1,0,0]=2 16 B7R0.16 CC(O)C(N)C(=O)O BB_SC-09459 [0,0,0,0,1,0|1,0,0]=2 17 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O BB_NC-03162 [0,0,0,0,1,0|1,0,0]=2 18 B9R0.7 CS(=O)CCC(N)C(=O)O BB_SC-12678 [0,0,0,0,0,1|2,0,0]=3 19 B6R0.2 CC(=O)CC(C)C BB_SC-12684 [2,0,0,0,0,0|1,0,1]=4 20 B6R0.2 CC(C)CC(=O)Cl BB_SC-06957 [2,0,0,0,0,0|1,0,1]=4 21 B6R0.2 CC(C)CC(=O)O BB_NC-02309 [2,0,0,0,0,0|1,0,1]=4 22 B6R0.4 C=CCCC(=O)O BB_NC-02314 [2,0,0,0,0,0|0,0,2]=4 23 B6R0.4 CC(=O)CCCCl BB_SC-07709 [2,0,0,0,0,0|2,0,0]=4 24 B6R0.4 CCCCC(=O)Cl BB_SC-06859 [2,0,0,0,0,0|1,0,0]=3 25 B6R0.4 CCCCC(C)=O BB_SC-06917 [2,0,0,0,0,0|1,0,0]=3 26 B6R0.4 CC\C=C\C(=O)O BB_NC-02316 [2,0,0,0,0,0|0,0,2]=4 27 B6R0.4 CN(C)CCCO BB_SC-06804 [2,0,0,0,0,0|1,0,1]=4 28 B6R0.4 NCCCC(=O)O BB_NC-02785 [2,0,0,0,0,0|1,0,0]=3 29 B6R0.4 O=C(Cl)CCCCl BB_SC-06828 [2,0,0,0,0,0|2,0,0]=4 30 B6R0.3 CCC(Br)C(=O)O BB_SC-09405 [2,0,0,0,0,0|1,0,0]=3 31 B6R0.3 NC(CO)C(=O)O BB_SC-09461 [2,0,0,0,0,0|1,0,0]=3 32 B6R0.3 N[C@@H](CS)C(=O)O BB_NC-02302 [2,0,0,0,0,0|1,0,0]=3 33 B8R0.5 C\C(=C\C=O)CC(C)C BB_NC-01302 [1,1,0,0,0,0|1,0,1]=4 34 B8R0.34 CN(C)CC(C)(C)C=O BB_SC-04811 [1,1,0,0,0,0|2,0,0]=4 35 B8R0.8 CCCCC(Br)C(=O)O BB_SC-06728 [1,1,0,0,0,0|1,0,0]=3 36 B8R0.8 CCCCC(N)C(=O)O BB_SC-08743 [1,1,0,0,0,0|0,0,0]=2 37 B8R0.8 CSCCC(N)C(=O)O BB_NC-01175 [1,1,0,0,0,0|0,0,0]=2 38 B8R0.9 CC(C)CNC(=O)CN BB_SC-07829 [1,1,0,0,0,0|2,0,0]=4 39 B8R0.9 COC(=O)CCC(C)=O BB_SC-07229 [1,1,0,0,0,0|1,0,1]=4 40 B8R0.27 [C@H](N)(C(=O)O)C(C)(C)S BB_NC-01043 [0,1,0,0,1,0|0,0,0]=2 41 B8R0.27 [C@H](N)(C(=O)O)C(C)(C)S BB_NC-02929 [0,1,0,0,1,0|0,0,0]=2 42 B10R0.82 COC(=O)CC[C@H](N)C(=O)O BB_NC-02940 [0,1,0,0,0,1|1,0,1]=4 43 B10R0.31 CC(CC(=O)Cl)CC(C)(C)C BB_SC-07016 [0,1,0,0,0,1|2,0,0]=4 44 B8R1.5 CC1CCCCC1=O BB_SC-06869 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.5 O=C1CCCCC1Cl BB_SC-05549 [1,0,0,1,0,0|2,0,0]=4 46 B8R1.7 NC(=O)C1CCCN1 BB_NC-01913 [1,0,0,1,0,0|1,0,0]=3 47 B8R1.7 O=C(O)C1CCCO1 BB_SC-06862 [1,0,0,1,0,0|1,0,0]=3 48 B8R1.7 O=C(O)C1CSCN1 BB_NC-00047 [1,0,0,1,0,0|1,0,0]=3 49 B8R1.7 O=C(O)C1NCCS1 BB_SC-11907 [1,0,0,1,0,0|1,0,0]=3 50 B8R1.30 C[C@]1(C(=O)O)C[C@@H]1Br BB_SC-02689 [1,0,0,1,0,0|2,0,0]=4 51 B8R1.3 CC1CCC(=O)CC1 BB_SC-06867 [1,0,0,1,0,0|1,0,0]=3 52 B10R1.329 CC1(C)CC(=O)C=C(N)C1 BB_SC-00009 [0,0,0,1,0,1|1,0,1]=4 53 B10R1.329 CC1CC(=O)CC(C)(C)C1 BB_SC-06801 [0,0,0,1,0,1|2,0,0]=4 54 B10R1.113 NC1CCCC(C(=O)O)C1 BB_SC-02645 [0,1,0,1,0,0|2,0,0]=4 55 B8R0.28 CC(=O)CCC=C(C)C BB_NC-00183 [1,0,0,0,0,1|1,0,1]=4 56 B8R0.28 CC(C)CCOC(=S)[S-] BB_SC-06496 [1,0,0,0,0,1|0,2,0]=4 57 B8R0.28 CC(C)CNCC(C)O BB_SC-01141 [1,0,0,0,0,1|1,0,1]=4 58 B8R0.28 CN(C)CCCC(=O)O BB_SC-09188 [1,0,0,0,0,1|1,0,0]=3