0 B7R0.16 CC(=O)C(Cl)C(C)=O BB_SC-07213 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.16 CC(C(=O)O)C(=O)O BB_SC-06503 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.16 CC(C)C(Br)C(=O)O BB_SC-00176 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.16 CC(O)C(N)C(=O)O BB_SC-09459 [0,0,0,0,0,0|0,0,0]=0 4 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O BB_NC-03162 [0,0,0,0,0,0|0,0,0]=0 5 B6R0.2 CC(=O)CC(C)C BB_SC-12684 [1,0,0,0,0,0|2,0,0]=3 6 B6R0.2 CC(C)CC(=O)Cl BB_SC-06957 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.2 CC(C)CC(=O)O BB_NC-02309 [1,0,0,0,0,0|1,0,0]=2 8 B6R0.2 CC(O)CC(=O)O BB_NC-02216 [1,0,0,0,0,0|0,0,0]=1 9 B6R0.2 CN(C)CC(=O)O BB_SC-06622 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.3 CC(C)\C(N)=N\O BB_SC-09261 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.3 CCC(Br)C(=O)O BB_SC-09405 [1,0,0,0,0,0|1,0,0]=2 12 B6R0.3 C\C=C(/C)C(=O)O BB_NC-02228 [1,0,0,0,0,0|1,0,2]=4 13 B6R0.3 NC(CO)C(=O)O BB_SC-09461 [1,0,0,0,0,0|0,0,0]=1 14 B6R0.3 N[C@@H](CS)C(=O)O BB_NC-02302 [1,0,0,0,0,0|0,1,0]=2 15 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O BB_NC-02400 [0,1,0,0,0,0|2,0,0]=3 16 B8R0.2 COC(=O)[C@@H](N)C(C)C BB_NC-01236 [0,1,0,0,0,0|1,0,0]=2 17 B8R0.18 CCC(C(=O)O)C(=O)O BB_SC-06625 [0,1,0,0,0,0|2,0,1]=4 18 B8R0.27 [C@H](N)(C(=O)O)C(C)(C)S BB_NC-01043 [0,1,0,0,0,0|0,1,0]=2 19 B8R0.27 [C@H](N)(C(=O)O)C(C)(C)S BB_NC-02929 [0,1,0,0,0,0|0,1,0]=2 20 B8R1.30 C[C@]1(C(=O)O)C[C@@H]1Br BB_SC-02689 [0,0,0,1,0,0|2,0,0]=3 21 B8R1.50 O=C1COC(=O)C1Cl BB_SC-02413 [0,0,0,1,0,0|1,0,2]=4 22 B8R1.50 O=C1OCC(O)=C1Br BB_SC-05637 [0,0,0,1,0,0|1,0,2]=4 23 B8R0.23 CC(=O)NC(C)C(=O)O BB_NC-00510 [0,0,0,0,0,1|1,0,2]=4 24 B8R0.23 CC(C)C[C@H](N)C(N)=O BB_NC-02379 [0,0,0,0,0,1|2,0,0]=3 25 B8R0.23 O=C(O)CC(S)C(=O)O BB_SC-07196 [0,0,0,0,0,1|2,0,1]=4 26 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O BB_NC-02214 [0,0,0,0,0,1|1,0,1]=3 27 B5R0.1 C=C(C)CCO BB_NC-02269 [2,0,0,0,0,0|2,0,0]=4 28 B5R0.1 CC(=O)CCO BB_SC-06926 [2,0,0,0,0,0|1,0,0]=3 29 B5R0.1 CC(C)CC=O BB_NC-02289 [2,0,0,0,0,0|1,0,0]=3 30 B5R0.1 CC(O)CCO BB_SC-11995 [2,0,0,0,0,0|0,0,1]=3 31 B5R0.1 CCCC(=O)Cl BB_SC-06847 [2,0,0,0,0,0|1,0,0]=3 32 B5R0.1 CCCC(C)O BB_SC-07025 [2,0,0,0,0,0|1,0,1]=4 33 B5R0.1 CCC[N+](=O)[O-] BB_SC-06933 [2,0,0,0,0,0|1,0,1]=4 34 B5R0.1 CCOC(=O)Cl BB_SC-07081 [2,0,0,0,0,0|2,0,0]=4 35 B5R0.1 CNCC(=O)O BB_NC-02298 [2,0,0,0,0,0|1,0,0]=3 36 B5R0.1 CNCC(N)=O BB_NC-02649 [2,0,0,0,0,0|2,0,0]=4 37 B5R0.1 COCC(=O)Cl BB_SC-11218 [2,0,0,0,0,0|2,0,0]=4 38 B5R0.1 CSCC(C)=O BB_SC-12665 [2,0,0,0,0,0|2,0,0]=4 39 B5R0.1 C\C=C\C(=O)O BB_NC-02305 [2,0,0,0,0,0|0,0,2]=4 40 B5R0.1 N#CCC(=O)O BB_SC-07146 [2,0,0,0,0,0|1,0,1]=4 41 B5R0.1 NC(=O)CCCl BB_SC-07003 [2,0,0,0,0,0|2,0,0]=4 42 B5R0.1 NCCC(=O)O BB_SC-12000 [2,0,0,0,0,0|1,0,0]=3 43 B5R0.1 O=C(Cl)CCBr BB_SC-07207 [2,0,0,0,0,0|2,0,0]=4 44 B5R0.1 O=C(Cl)CCCl BB_SC-06831 [2,0,0,0,0,0|2,0,0]=4 45 B5R0.1 O=C(O)CCBr BB_SC-12703 [2,0,0,0,0,0|1,0,0]=3 46 B5R0.1 O=C(O)CCCl BB_SC-06966 [2,0,0,0,0,0|1,0,0]=3 47 B5R0.3 CCC(N)CO BB_SC-06587 [2,0,0,0,0,0|0,0,1]=3 48 B5R0.5 C=C(C)C(=O)O BB_NC-02230 [2,0,0,0,0,0|1,0,1]=4 49 B5R0.5 CC(=O)C(=O)O BB_SC-07199 [2,0,0,0,0,0|1,0,1]=4 50 B5R0.5 CC(C)C(=O)Cl BB_SC-12003 [2,0,0,0,0,0|2,0,0]=4 51 B5R0.5 CC(C)C(=O)O BB_SC-06843 [2,0,0,0,0,0|1,0,0]=3 52 B5R0.5 CC(O)C(N)=O BB_SC-07034 [2,0,0,0,0,0|0,0,1]=3 53 B5R0.5 CC(S)C(=O)O BB_SC-09380 [2,0,0,0,0,0|1,0,0]=3 54 B5R0.5 C[C@H](N)C(N)=O BB_NC-02403 [2,0,0,0,0,0|1,0,0]=3 55 B5R0.5 C[C@H](O)C(=O)O BB_NC-02324 [2,0,0,0,0,0|1,0,0]=3 56 B5R0.5 O=C(O)C(Cl)Cl BB_SC-06987 [2,0,0,0,0,0|2,0,0]=4 57 B7R0.2 COC(=O)CC(C)=O BB_SC-06865 [1,1,0,0,0,0|0,0,2]=4 58 B7R0.2 COC(=O)CC(C)C BB_SC-06790 [1,1,0,0,0,0|1,0,0]=3 59 B7R0.9 CC(=O)CC(C)(C)O BB_NC-02286 [1,1,0,0,0,0|1,0,0]=3 60 B7R0.10 [C@H](N)(CO)C(=O)OC BB_NC-02218 [1,1,0,0,0,0|0,0,0]=2 61 B9R0.23 COC(=O)[C@@H](N)CC(C)C BB_NC-01737 [0,1,0,0,0,1|1,0,0]=3 62 B9R0.39 CNC(CC(=O)O)C(=O)O BB_NC-01943 [0,1,0,0,0,1|1,0,1]=4 63 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC BB_NC-01741 [0,2,0,0,0,0|1,0,0]=3 64 B7R1.2 C[C@@H]1COC(=O)O1 BB_NC-02716 [1,0,0,1,0,0|2,0,0]=4 65 B7R1.2 O=C1C=C(O)CO1 BB_SC-12693 [1,0,0,1,0,0|0,0,2]=4 66 B7R1.4 NC1CCOC1=O BB_NC-01193 [1,0,0,1,0,0|0,0,0]=2 67 B7R1.4 NC1CCSC1=O BB_SC-05358 [1,0,0,1,0,0|0,1,0]=3 68 B7R1.4 NC1CSCC1O BB_NC-00016 [1,0,0,1,0,0|0,1,1]=4 69 B7R1.4 N[C@@H]1CONC1=O BB_NC-01631 [1,0,0,1,0,0|1,0,0]=3 70 B7R1.4 O=C1OCCC1Br BB_SC-08882 [1,0,0,1,0,0|1,0,0]=3 71 B7R1.4 OC1COCC1O BB_NC-00093 [1,0,0,1,0,0|1,0,1]=4 72 B7R1.18 O=C(O)C1CCC1 BB_SC-05515 [1,0,0,1,0,0|1,0,0]=3 73 B7R1.18 O=C(O)C1CNC1 BB_SC-12413 [1,0,0,1,0,0|2,0,0]=4 74 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 BB_SC-09426 [0,0,0,1,0,1|0,0,0]=2 75 B9R1.36 N[C@H]1CS(=O)(=O)C[C@H]1O BB_SC-04746 [0,0,0,1,0,1|1,0,1]=4 76 B9R1.138 CC1(C)COC(=O)C1O BB_NC-00082 [0,1,0,1,0,0|2,0,0]=4 77 B7R0.6 CC(=O)CCC(=O)O BB_SC-00144 [1,0,0,0,0,1|0,0,2]=4 78 B7R0.6 CC(C)COC(=O)Cl BB_SC-06877 [1,0,0,0,0,1|2,0,0]=4 79 B7R0.6 CC(C)OCC(=O)O BB_SC-05189 [1,0,0,0,0,1|1,0,0]=3 80 B9R0.7 CS(=O)CCC(N)C(=O)O BB_SC-12678 [0,0,0,0,0,2|1,0,1]=4