0 B7R0.6 CC(=O)NCC(C)O BB31-7690 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.6 CC(=O)NNC(C)C BB32-2318 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.6 CC(=O)\C=C\C(=O)O BB31-4699 [0,0,0,0,0,0|1,0,1]=2 3 B7R0.6 CC(C)CC[N+](=O)[O-] BB32-3570 [0,0,0,0,0,0|1,0,3]=4 4 B7R0.6 CC(N)CCC(=O)O BB31-2419 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.6 CC(O)CCC(=O)[O-] BB31-5329 [0,0,0,0,0,0|1,0,3]=4 6 B8R0.9 CCC(=O)NCC(C)C BB32-3399 [0,1,0,0,0,0|2,0,1]=4 7 B8R0.9 CCC(C)CCC(C)=O BB31-3584 [0,1,0,0,0,0|1,0,2]=4 8 B8R0.23 C=C(CC(C)C)C(=O)O BB31-4322 [0,1,0,0,0,0|0,0,1]=2 9 B8R0.23 CC(=O)C(=O)OC(C)C BB31-7341 [0,1,0,0,0,0|2,0,0]=3 10 B8R0.23 CC(C)[C@H](N)CC(=O)O BB31-7640 [0,1,0,0,0,0|0,0,2]=3 11 B8R0.29 CC(C)(C)\C=C\B(O)O BB31-6702 [0,1,0,0,0,0|1,0,1]=3 12 B8R1.3 CC1CNC(=O)CO1 BB31-1811 [0,0,0,1,0,0|2,0,1]=4 13 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 BB31-7196 [0,0,0,1,0,0|1,0,2]=4 14 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 BB31-8607 [0,0,0,1,0,0|1,0,2]=4 15 B8R1.23 O=C(O)C1CC(Cl)C1 BB31-7948 [0,0,0,1,0,0|1,0,2]=4 16 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 BB31-0994 [0,0,0,1,0,0|1,0,2]=4 17 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 BB31-0993 [0,0,0,1,0,0|1,0,2]=4 18 B8R1.51 CC1(C)CCC(=O)O1 BB31-8004 [0,0,0,1,0,0|0,0,2]=3 19 B8R1.51 CC1(C)COC(=O)C1 BB31-2397 [0,0,0,1,0,0|2,0,1]=4 20 B6R0.2 CC(C)C[N+](=O)[O-] BB32-3569 [0,0,0,0,1,0|1,0,2]=4 21 B5R0.1 O=C(O)CCF BB32-2513 [2,0,0,0,0,0|1,0,1]=4 22 B5R0.1 O=C(O)\C=C\Br BB31-5400 [2,0,0,0,0,0|1,0,0]=3 23 B7R0.2 CCC(N)CC(=O)O BB31-5235 [1,1,0,0,0,0|0,0,2]=4 24 B7R0.2 CC[C@H](N)CC(=O)O BB31-2771 [1,1,0,0,0,0|0,0,2]=4 25 B7R0.16 CC(C)C(C)C(=O)O BB31-8342 [0,1,0,0,1,0|0,0,1]=3 26 B9R0.7 CC(C)CC[C@@H](N)C(=O)O BB31-2417 [0,1,0,0,0,1|0,0,2]=4 27 B9R0.23 COC(=O)C(=O)CC(C)C BB31-6224 [0,2,0,0,0,0|0,0,1]=3 28 B9R0.23 COC(=O)C(O)CC(C)C BB32-2157 [0,2,0,0,0,0|0,0,2]=4 29 B9R0.42 COC(=O)CC(=O)C(C)Br BB31-4983 [0,2,0,0,0,0|1,0,1]=4 30 B9R0.48 CCOC(=O)OCC(C)C BB31-5205 [0,2,0,0,0,0|1,0,1]=4 31 B9R0.48 CCOC(=O)\C=C\C(C)=O BB31-0204 [0,2,0,0,0,0|1,0,1]=4 32 B9R0.10 CC(C)(C)[C@H](N)CC(=O)O BB31-5066 [0,2,0,0,0,0|0,0,2]=4 33 B9R0.39 CC(C)C[C@@H](CN)C(=O)O BB31-9825 [0,2,0,0,0,0|0,0,2]=4 34 B9R0.39 CC(C)C[C@H](CN)C(=O)O BB31-1945 [0,2,0,0,0,0|0,0,2]=4 35 B9R0.39 CC(C)C[C@H](CN)C(=O)O BB31-4160 [0,2,0,0,0,0|0,0,2]=4 36 B9R0.39 CC(C)\C=C(\C#N)C(=O)O BB31-7111 [0,2,0,0,0,0|0,0,0]=2 37 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O BB31-4655 [0,2,0,0,0,0|0,0,2]=4 38 B7R1.2 O=C1C=CC(O)O1 BB31-2490 [1,0,0,1,0,0|1,0,0]=3 39 B7R1.2 O[C@@H]1C=C[C@H](O)C1 BB31-6115 [1,0,0,1,0,0|1,0,1]=4 40 B7R1.3 O=C1C=CCCN1 BB32-3139 [1,0,0,1,0,0|1,0,0]=3 41 B7R1.3 O=C1CNCCO1 BB32-2655 [1,0,0,1,0,0|1,0,1]=4 42 B7R1.12 C[C@@H]1C[C@H]1C(=O)O BB32-3490 [1,0,0,1,0,0|0,0,2]=4 43 B7R1.12 C[C@H]1C[C@@H]1C(=O)O BB32-0696 [1,0,0,1,0,0|0,0,2]=4 44 B7R1.18 O=C(O)C1=CCC1 BB32-1171 [1,0,0,1,0,0|0,0,0]=2 45 B7R1.16 CC1(C)CC(=O)N1 BB32-2836 [0,0,0,1,1,0|1,0,1]=4 46 B9R1.35 CC(C)C1=CN=C(N)S1 BB31-0173 [0,0,0,1,0,1|1,1,0]=4 47 B9R1.35 CC(C)C1=NN=C(N)O1 BB52-8700 [0,0,0,1,0,1|2,0,0]=4 48 B9R1.35 CC(C)C1=NNC(=O)O1 BB31-8249 [0,0,0,1,0,1|1,0,0]=3 49 B9R1.35 CC(C)N1C=CC(O)=N1 BB31-4167 [0,0,0,1,0,1|1,0,0]=3 50 B9R1.35 CC1=CNC(C(=O)O)=C1 BB31-4952 [0,0,0,1,0,1|0,0,2]=4 51 B9R1.35 CC1=NC(C(=O)O)=CO1 BB52-2189 [0,0,0,1,0,1|1,0,1]=4 52 B9R1.35 CC1=NC=C(C(=O)O)O1 BB31-2190 [0,0,0,1,0,1|1,0,1]=4 53 B9R1.85 O=C(O)COCC1CC1 BB32-1443 [0,0,0,1,0,1|0,0,2]=4 54 B9R1.69 CN1C=CC(=O)C(O)=C1 BB32-2601 [0,1,0,1,0,0|1,0,1]=4 55 B9R1.95 O=C(O)C1CC(CBr)C1 BB31-8450 [0,1,0,1,0,0|0,0,2]=4 56 B9R1.112 O=C(O)C(=O)NC1CC1 BB31-3741 [0,1,0,1,0,0|1,0,0]=3 57 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 BB31-2410 [0,1,0,1,0,0|0,0,2]=4 58 B9R2.145 O=C(O)C12CC(C1)C2 BB32-1726 [0,0,0,2,0,0|0,0,2]=4 59 B9R2.143 O=C(O)C1CC12CC2 BB32-0327 [0,0,0,2,0,0|0,0,2]=4