0 B8R0.16 CCC(CC)CC(=O)O BB32-3031 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.2 CCC(N)CC(=O)O BB31-5235 [1,0,0,0,0,0|3,0,0]=4 2 B7R0.2 CC[C@H](N)CC(=O)O BB31-2771 [1,0,0,0,0,0|3,0,0]=4 3 B9R1.2 CCC1CCCC(=O)C1 BB31-8126 [0,0,0,1,0,0|2,0,0]=3 4 B9R1.2 COC1=CC(=O)CCC1 BB31-3355 [0,0,0,1,0,0|1,0,2]=4 5 B9R1.2 CO[C@@H]1CCN[C@@H](C)C1 BB32-0123 [0,0,0,1,0,0|2,0,1]=4 6 B9R1.13 CC(=O)OC1CCCO1 BB31-3264 [0,0,0,1,0,0|2,0,0]=3 7 B9R1.13 O=C(O)C[C@@H]1CCCN1 BB31-4906 [0,0,0,1,0,0|3,0,0]=4 8 B9R1.13 O=C(O)C[C@@H]1CCCN1 BB31-5437 [0,0,0,1,0,0|3,0,0]=4 9 B9R0.43 COC(CNC(C)=O)OC BB32-3584 [0,0,0,0,0,1|0,0,0]=1 10 B6R0.2 CC(C)C[N+](=O)[O-] BB32-3569 [2,0,0,0,0,0|2,0,0]=4 11 B6R0.4 CC(=O)CCCBr BB31-6000 [2,0,0,0,0,0|2,0,0]=4 12 B6R0.4 COCCC(=N)N BB31-7023 [2,0,0,0,0,0|2,0,0]=4 13 B6R0.4 COCOC(C)=O BB32-2824 [2,0,0,0,0,0|1,0,0]=3 14 B6R0.9 CCC(CC)NC BB31-6271 [2,0,0,0,0,0|2,0,0]=4 15 B8R0.2 COC(=O)C(C)C(C)=O BB32-0377 [1,1,0,0,0,0|0,0,2]=4 16 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O BB31-6183 [1,1,0,0,0,0|1,0,0]=3 17 B8R0.5 CCCC(C)CC(C)=O BB32-3065 [1,1,0,0,0,0|1,0,0]=3 18 B8R0.19 CC[C@H](O)CC(=O)OC BB31-5331 [1,1,0,0,0,0|1,0,0]=3 19 B8R0.23 CC(=O)C(C)CC(=O)O BB31-6096 [1,1,0,0,0,0|2,0,0]=4 20 B10R0.38 COC(=O)C(Br)C(OC)OC BB31-3999 [0,2,0,0,0,0|0,0,0]=2 21 B8R1.1 COC1=CC(=O)CC1 BB31-5801 [1,0,0,1,0,0|0,0,2]=4 22 B8R1.1 N#CC1CCC(=O)C1 BB32-2063 [1,0,0,1,0,0|2,0,0]=4 23 B8R1.4 CC1CCNC(=O)C1 BB31-5195 [1,0,0,1,0,0|2,0,0]=4 24 B8R1.4 CN1CCCC(=O)C1 BB31-5533 [1,0,0,1,0,0|2,0,0]=4 25 B8R1.4 C[C@H]1CC(=O)CCN1 BB32-0051 [1,0,0,1,0,0|1,0,0]=3 26 B8R1.4 O=C1CCCC(O)C1 BB31-8636 [1,0,0,1,0,0|1,0,0]=3 27 B8R1.4 O=C1C[C@H](O)CCN1 BB31-8745 [1,0,0,1,0,0|2,0,0]=4 28 B8R1.31 CC1CCC1C(=O)O BB31-4909 [1,0,0,1,0,0|2,0,0]=4 29 B8R1.2 CO[C@H]1CCCNC1 BB31-5248 [1,0,0,1,0,0|2,0,0]=4 30 B8R1.8 NCCC1OCCO1 BB31-5553 [1,0,0,1,0,0|1,0,1]=4 31 B8R1.7 CC(=O)[C@@H]1CCCO1 BB31-1725 [0,0,0,1,1,0|1,0,0]=3 32 B8R1.63 COC1(C(=O)O)CC1 BB31-0109 [0,0,0,1,1,0|2,0,0]=4 33 B10R1.66 O=C(O)CCC1OCCO1 BB31-7731 [0,0,0,1,0,1|1,0,0]=3 34 B10R1.18 O=C(O)CC1COCCN1 BB31-6596 [0,1,0,1,0,0|2,0,0]=4 35 B10R1.27 COC(=O)C[C@H]1CCCN1 BB32-1710 [0,1,0,1,0,0|2,0,0]=4 36 B10R2.62 O=C1CC2CCC1CC2 BB31-4783 [0,0,0,2,0,0|2,0,0]=4 37 B10R2.71 O=C1CC2C=CC(C1)O2 BB31-4964 [0,0,0,2,0,0|1,0,1]=4 38 B10R2.316 BrC1CC2(C1)OCCO2 BB31-1303 [0,0,0,2,0,0|1,0,1]=4 39 B10R2.316 O=C1CC2(CCCC2)C1 BB32-2161 [0,0,0,2,0,0|2,0,0]=4 40 B6R0.3 CC[C@@H](C)C(=O)O BB31-4656 [1,0,0,0,1,0|2,0,0]=4 41 B6R0.3 CC[C@@H](O)C(=O)O BB31-3920 [1,0,0,0,1,0|2,0,0]=4 42 B8R0.9 CCC(C)CCC(C)=O BB31-3584 [1,0,0,0,0,1|1,0,0]=3 43 B8R0.9 COC(=O)CNC(C)=O BB31-6237 [1,0,0,0,0,1|0,0,2]=4