0 B7R0.6 CC(=O)\C=C\C(=O)O BB31-4699 [0,0,0,0,0,0|1,0,0]=1 1 B8R0.9 C=CC(=O)NCC(=O)O BB31-4277 [0,1,0,0,0,0|2,0,1]=4 2 B8R0.9 COC(=O)CNC(C)=O BB31-6237 [0,1,0,0,0,0|2,0,1]=4 3 B8R0.23 CC(=O)C(C)CC(=O)O BB31-6096 [0,1,0,0,0,0|1,0,2]=4 4 B8R1.3 OC1=CN=C(I)C=C1 BB31-1865 [0,0,0,1,0,0|3,0,0]=4 5 B5R0.1 O=C(O)\C=C\Br BB31-5400 [2,0,0,0,0,0|1,0,0]=3 6 B9R0.53 C\C(=C/C(=O)O)CC(=O)O BB32-3146 [0,1,0,0,0,1|0,0,0]=2 7 B9R0.53 NC(CC(=O)O)CC(=O)O BB31-7764 [0,1,0,0,0,1|0,0,2]=4 8 B9R0.53 NC(CC(=O)O)CC(=O)O BB31-7919 [0,1,0,0,0,1|0,0,2]=4 9 B9R0.42 COC(=O)CC(=O)C(=O)O BB31-1911 [0,2,0,0,0,0|0,0,1]=3 10 B9R0.42 COC(=O)C[C@@H](C)C(=O)O BB31-5539 [0,2,0,0,0,0|0,0,2]=4 11 B9R0.42 COC(=O)C[C@H](C)C(=O)O BB31-9056 [0,2,0,0,0,0|0,0,2]=4 12 B9R0.48 CCOC(=O)\C=C\C(C)=O BB31-0204 [0,2,0,0,0,0|1,0,0]=3 13 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O BB32-3117 [0,2,0,0,0,0|0,0,2]=4 14 B7R1.2 O=C1C=CC(O)O1 BB31-2490 [1,0,0,1,0,0|0,0,1]=3 15 B7R1.18 O=C(O)C1=CCC1 BB32-1171 [1,0,0,1,0,0|1,0,1]=4 16 B9R1.35 CC(=O)C1=CC=C(Br)O1 BB32-1375 [0,0,0,1,0,1|2,0,0]=4 17 B9R1.35 CC1=CNC(C(=O)O)=C1 BB31-4952 [0,0,0,1,0,1|2,0,0]=4 18 B9R1.35 CC1=NC(C(=O)O)=CO1 BB52-2189 [0,0,0,1,0,1|2,0,0]=4 19 B9R1.35 CC1=NC=C(C(=O)O)O1 BB31-2190 [0,0,0,1,0,1|1,0,0]=3 20 B9R1.35 O=C(O)C1=CC(Br)=CN1 BB52-8147 [0,0,0,1,0,1|2,0,0]=4 21 B9R1.35 O=C(O)C1=CC(O)=NO1 BB52-3965 [0,0,0,1,0,1|2,0,0]=4 22 B9R1.35 O=C(O)C1=CC=C(F)S1 BB31-4908 [0,0,0,1,0,1|1,1,0]=4 23 B9R1.35 O=C(O)C1=CN=C(Cl)O1 BB31-2956 [0,0,0,1,0,1|1,0,0]=3 24 B9R1.35 O=C(O)C1=COC(Br)=N1 BB31-0470 [0,0,0,1,0,1|2,0,0]=4 25 B9R1.35 O=C(O)C1=NC=C(Br)N1 BB31-1468 [0,0,0,1,0,1|2,0,0]=4 26 B9R1.35 O=C1C=C(C(=O)O)NN1 BB52-5683 [0,0,0,1,0,1|2,0,0]=4 27 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O BB31-2567 [0,0,0,1,0,1|0,0,2]=4 28 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O BB32-3765 [0,0,0,1,0,1|0,0,2]=4 29 B9R1.1 O=C1C=CC(CO)=CN1 BB31-8238 [0,1,0,1,0,0|2,0,0]=4 30 B9R1.1 OCC1=NC=C(O)C=C1 BB31-5168 [0,1,0,1,0,0|2,0,0]=4 31 B9R1.69 OC1=CC(S)=C(O)C=C1 BB31-4519 [0,1,0,1,0,0|1,1,0]=4 32 B5R0.5 CC(=O)C(N)=O BB32-3571 [0,0,0,0,2,0|2,0,0]=4