0 B8R0.23 C=C(CC(=O)O)C(=O)O BB_NC-02310 [0,0,0,0,0,0|1,0,1]=2 1 B8R0.23 CC(=O)NC(C)C(=O)O BB_NC-00510 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.23 CN(CC(=O)O)C(=N)N BB_NC-02326 [0,0,0,0,0,0|4,0,0]=4 3 B8R0.23 C[C@H](NC(N)=O)C(=O)O BB_NC-02469 [0,0,0,0,0,0|3,0,0]=3 4 B8R0.23 O=C(O)CC(S)C(=O)O BB_SC-07196 [0,0,0,0,0,0|0,1,0]=1 5 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O BB_NC-02214 [0,0,0,0,0,0|1,0,0]=1 6 B7R0.6 CC(=O)CCC(=O)O BB_SC-00144 [1,0,0,0,0,0|1,0,0]=2 7 B7R0.6 CC(=O)CCC(C)=O BB_SC-06911 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.6 N=C(N)SCC(=O)O BB_SC-06632 [1,0,0,0,0,0|3,0,0]=4 9 B7R0.6 O=C(O)C#CC(=O)O BB_SC-06599 [1,0,0,0,0,0|0,0,2]=3 10 B7R0.6 O=C([O-])C#CC(=O)O BB_SC-07180 [1,0,0,0,0,0|0,0,3]=4 11 B9R0.23 COC(=O)C(=O)CC(C)=O BB_SC-01708 [0,1,0,0,0,0|1,0,2]=4 12 B9R0.39 CNC(CC(=O)O)C(=O)O BB_NC-01943 [0,1,0,0,0,0|1,0,0]=2 13 B9R0.42 CC(NC(=O)CN)C(=O)O BB_NC-01486 [0,1,0,0,0,0|3,0,0]=4 14 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O BB_SC-06913 [0,1,0,0,0,0|1,0,0]=2 15 B9R0.79 O=C(O)C(O)C(O)C(=O)O BB_NC-02292 [0,1,0,0,0,0|0,0,0]=1 16 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 BB_SC-09426 [0,0,0,1,0,0|2,0,1]=4 17 B9R1.35 O=C1CCC(C(=O)O)N1 BB_NC-00504 [0,0,0,1,0,0|3,0,0]=4 18 B7R0.16 CC(=O)C(Cl)C(C)=O BB_SC-07213 [0,0,0,0,1,0|3,0,0]=4 19 B7R0.16 CC(C(=O)O)C(=O)O BB_SC-06503 [0,0,0,0,1,0|1,0,0]=2 20 B7R0.16 CC(O)C(N)C(=O)O BB_SC-09459 [0,0,0,0,1,0|2,0,1]=4 21 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O BB_NC-03162 [0,0,0,0,1,0|2,0,1]=4 22 B9R0.7 CS(=O)CCC(N)C(=O)O BB_SC-12678 [0,0,0,0,0,1|3,0,0]=4 23 B9R0.7 O=C(O)CCC(=O)C(=O)O BB_NC-02331 [0,0,0,0,0,1|0,0,2]=3 24 B9R0.53 C\C(=C/C(=O)O)CC(=O)O BB_NC-02781 [0,0,0,0,0,1|1,0,1]=3 25 B9R0.53 NN(CC(=O)O)CC(=O)O BB_SC-02560 [0,0,0,0,0,1|2,0,0]=3 26 B9R0.53 O=C(O)CC(=O)CC(=O)O BB_NC-02274 [0,0,0,0,0,1|0,0,2]=3 27 B6R0.2 CC(C)CC(=O)O BB_NC-02309 [2,0,0,0,0,0|1,0,1]=4 28 B6R0.2 CC(O)CC(=O)O BB_NC-02216 [2,0,0,0,0,0|0,0,1]=3 29 B6R0.4 C=CCCC(=O)O BB_NC-02314 [2,0,0,0,0,0|1,0,0]=3 30 B6R0.4 NCCCC(=O)O BB_NC-02785 [2,0,0,0,0,0|1,0,1]=4 31 B6R0.3 CCC(Br)C(=O)O BB_SC-09405 [2,0,0,0,0,0|1,0,1]=4 32 B6R0.3 NC(CO)C(=O)O BB_SC-09461 [2,0,0,0,0,0|1,0,0]=3 33 B6R0.3 N[C@@H](CS)C(=O)O BB_NC-02302 [2,0,0,0,0,0|1,1,0]=4 34 B8R0.9 COC(=O)CCC(C)=O BB_SC-07229 [1,1,0,0,0,0|1,0,0]=3 35 B8R0.9 NCC(=O)NCC(=O)O BB_NC-03236 [1,1,0,0,0,0|2,0,0]=4 36 B8R0.9 O=C(O)CNC(=O)CCl BB_SC-01509 [1,1,0,0,0,0|2,0,0]=4 37 B8R0.18 CCC(C(=O)O)C(=O)O BB_SC-06625 [0,1,0,0,1,0|1,0,0]=3 38 B10R0.82 COC(=O)CC[C@H](N)C(=O)O BB_NC-02940 [0,1,0,0,0,1|1,0,0]=3 39 B10R0.46 C=C(CC(=O)OC)C(=O)OC BB_NC-00456 [0,2,0,0,0,0|1,0,1]=4 40 B10R0.23 CCCC(CC(C)=O)C(=O)O BB_NC-00322 [0,2,0,0,0,0|2,0,0]=4 41 B10R0.53 NCC(=O)NC(CO)C(=O)O BB_NC-03343 [0,2,0,0,0,0|2,0,0]=4 42 B8R1.7 O=C(O)C1CCCO1 BB_SC-06862 [1,0,0,1,0,0|1,0,1]=4 43 B8R1.23 O=C1CC(C(=O)O)C1 BB_SC-07711 [1,0,0,1,0,0|1,0,0]=3 44 B8R1.3 O=C1CCC(=O)CC1 BB_SC-06510 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.50 O=C1COC(=O)C1Cl BB_SC-02413 [0,0,0,1,1,0|2,0,0]=4 46 B10R1.349 CC(=O)N1CC(C(=O)O)C1 BB_SC-12269 [0,0,0,1,0,1|2,0,0]=4 47 B10R1.282 C=C1[C@@H](C(=O)O)[C@@H]1C(=O)O BB_NC-00389 [0,0,0,1,0,1|1,0,1]=4 48 B8R0.28 O=C(O)CNCC(=O)O BB_SC-09398 [1,0,0,0,0,1|0,0,0]=2 49 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O BB_NC-03299 [0,0,0,0,0,2|1,0,0]=3