0 B10R1.66 O=C(O)CCC1OCCO1 BB31-7731 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.66 O=C(O)CCN1CCCC1 BB52-8424 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.66 O=C(O)\C=C\C1CCCC1 BB31-9891 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.12 CNCCC1OCCO1 BB31-7625 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.25 O=C(CBr)NCC1CCCO1 BB53-0762 [0,1,0,0,0,0|1,0,0]=2 5 B11R1.35 N[C@H](CC1CCCC1)C(=O)O BB31-7316 [0,1,0,0,0,0|3,0,0]=4 6 B9R0.43 COC(CNC(C)=O)OC BB32-3584 [0,0,1,0,0,0|2,0,0]=3 7 B11R2.36 O=C1CCN2CCCC2C1 BB32-1195 [0,0,0,1,0,0|3,0,0]=4 8 B9R1.13 CC(=O)N[C@H]1CCNC1 BB31-0573 [0,0,0,0,1,0|3,0,0]=4 9 B9R1.13 CC(=O)OC1CCCO1 BB31-3264 [0,0,0,0,1,0|0,0,0]=1 10 B9R1.13 O=C(O)CC1CCNC1 BB31-4791 [0,0,0,0,1,0|3,0,0]=4 11 B9R1.13 O=C(O)C[C@@H]1CCCN1 BB31-4906 [0,0,0,0,1,0|2,0,0]=3 12 B9R1.13 O=C(O)C[C@@H]1CCCN1 BB31-5437 [0,0,0,0,1,0|2,0,0]=3 13 B9R1.13 O=C(O)C[C@@H]1CCOC1 BB31-2581 [0,0,0,0,1,0|3,0,0]=4 14 B11R1.91 O=C(O)CCC1CCNCC1 BB32-2599 [0,0,0,0,0,1|3,0,0]=4 15 B11R1.91 O=C(O)CCC1CCOCC1 BB31-7811 [0,0,0,0,0,1|3,0,0]=4 16 B11R1.172 O=C(O)CNCC1CCCO1 BB53-0552 [0,0,0,0,0,1|2,0,0]=3 17 B11R1.172 O=C(O)CSCC1CCCO1 BB53-0402 [0,0,0,0,0,1|1,1,0]=3 18 B8R0.7 CC(C)CCCCCO BB31-3290 [1,0,1,0,0,0|1,0,1]=4 19 B8R0.9 CCC(C)CCC(C)=O BB31-3584 [1,0,1,0,0,0|1,0,0]=3 20 B10R1.21 ClCCNCC1CCCO1 BB52-9805 [1,1,0,0,0,0|1,0,1]=4 21 B10R1.21 NCCNCC1CCCO1 BB52-9376 [1,1,0,0,0,0|1,0,1]=4 22 B10R1.21 OCCNCC1CCCO1 BB53-1011 [1,1,0,0,0,0|1,0,1]=4 23 B10R1.54 CC(=O)O[C@H]1C=C[C@@H](O)C1 BB31-4648 [0,1,0,0,1,0|1,0,1]=4 24 B10R1.54 O=C(O)CC1CCC(=O)O1 BB54-4135 [0,1,0,0,1,0|1,0,1]=4 25 B10R1.64 CN1CCCC1CC(=O)O BB58-3129 [0,1,0,0,1,0|2,0,0]=4 26 B10R1.204 N[C@@H](CC1CCC1)C(=O)O BB31-1413 [0,1,0,0,1,0|2,0,0]=4 27 B12R1.27 COC(=O)CCC1CCNCC1 BB31-3344 [0,1,0,0,0,1|2,0,0]=4 28 B12R1.264 CC(SCC1CCCO1)C(=O)O BB53-0422 [0,1,0,0,0,1|1,1,0]=4 29 B12R1.264 O=C(O)C(=O)NCC1CCCO1 BB52-9462 [0,1,0,0,0,1|2,0,0]=4 30 B12R1.51 O=C(CCCl)NCC1CCCO1 BB52-9552 [0,2,0,0,0,0|1,0,0]=3 31 B10R1.18 CC(=O)NC1CCCCC1 BB31-5197 [0,0,1,1,0,0|2,0,0]=4 32 B10R1.39 CC(=O)N1CCC[C@H]1CO BB32-3891 [0,0,1,1,0,0|1,0,0]=3 33 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 BB31-7694 [0,0,1,1,0,0|2,0,0]=4 34 B10R2.99 O=CC1CC2CCC1C2 BB31-8207 [1,0,0,1,0,0|2,0,0]=4 35 B10R2.178 O=C1CCC2CCC1N2 BB31-3938 [1,0,0,1,0,0|2,0,0]=4 36 B10R2.178 O=C1CCC2CO[C@@H]1O2 BB54-2926 [1,0,0,1,0,0|2,0,0]=4 37 B10R2.483 C1CNC2(C1)CCOC2 BB31-3142 [1,0,0,1,0,0|1,0,1]=4 38 B10R2.483 C1COC2(C1)CCNC2 BB31-2741 [1,0,0,1,0,0|1,0,1]=4 39 B10R2.2 O=C1CC2CNCC2C1 BB31-1561 [0,0,0,1,1,0|2,0,0]=4 40 B10R2.71 O=C1CC2C=CC(C1)O2 BB31-4964 [0,0,0,1,1,0|0,0,2]=4 41 B10R2.316 O=C1CC2(CCCC2)C1 BB32-2161 [0,0,0,1,1,0|1,0,0]=3 42 B10R2.332 O=C1CC2(CN1)COC2 BB31-8963 [0,0,0,1,1,0|2,0,0]=4 43 B10R2.638 O=C(O)C1CC12CCC2 BB32-0649 [0,0,0,1,1,0|2,0,0]=4 44 B12R2.2918 O=C1CC2(CCCNC2)CN1 BB31-0670 [0,0,0,1,0,1|2,0,0]=4 45 B12R2.2918 O=C1CC2(CCOCC2)CN1 BB32-0363 [0,0,0,1,0,1|2,0,0]=4 46 B8R0.16 CCC(CC)CC(=O)O BB32-3031 [0,0,1,0,1,0|2,0,0]=4 47 B8R0.5 CCCC(C)CC(C)=O BB32-3065 [0,0,1,0,1,0|1,0,0]=3 48 B8R0.5 CCC[C@H](N)CC(=O)O BB32-3503 [0,0,1,0,1,0|2,0,0]=4 49 B8R1.7 CC(=O)[C@@H]1CCCO1 BB31-1725 [0,0,0,0,2,0|0,0,0]=2 50 B8R1.7 N=C(N)C1CCCO1 BB32-3453 [0,0,0,0,2,0|2,0,0]=4 51 B8R1.7 O=C(O)C1CCCS1 BB32-0695 [0,0,0,0,2,0|1,1,0]=4 52 B8R1.34 CC(=O)NC1CNC1 BB31-0276 [0,0,0,0,2,0|2,0,0]=4 53 B8R1.34 O=C(O)CC1COC1 BB31-1686 [0,0,0,0,2,0|2,0,0]=4 54 B10R1.17 CCNCC1COCCO1 BB52-9176 [1,0,0,0,0,1|1,0,1]=4 55 B12R1.255 O=C(O)CCNCC1CCCO1 BB52-9538 [0,0,0,0,0,2|2,0,0]=4 56 B12R1.255 O=C(O)CCSCC1CCCO1 BB53-0449 [0,0,0,0,0,2|1,1,0]=4