0 B8R0.3 CCOC(=O)[C@@H](C)OC BB31-7778 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.7 CCOC(=O)\C=C\I BB32-1414 [1,0,0,0,0,0|1,0,2]=4 2 B7R0.10 COC(=O)C(C)CN BB31-6417 [1,0,0,0,0,0|1,0,0]=2 3 B7R0.10 COC(=O)[C@@H](C)CBr BB31-6195 [1,0,0,0,0,0|1,0,0]=2 4 B7R0.10 C\C=C(/Br)C(=O)OC BB31-3618 [1,0,0,0,0,0|1,0,2]=4 5 B9R0.19 CCOC(=O)C(F)(F)CN BB31-1559 [0,1,0,0,0,0|2,0,0]=3 6 B9R1.15 CCN1CCNCC1=O BB52-8136 [0,0,0,1,0,0|3,0,0]=4 7 B9R1.69 CN1CCC(N)CC1=O BB31-2065 [0,0,0,1,0,0|3,0,0]=4 8 B9R1.74 CC1(C(=O)CC#N)CC1 BB31-6429 [0,0,0,1,0,0|2,0,1]=4 9 B6R0.1 C#CCC(=O)OC BB32-1580 [2,0,0,0,0,0|0,0,2]=4 10 B6R0.1 CCCC(=O)CCl BB31-4027 [2,0,0,0,0,0|1,0,0]=3 11 B6R0.3 CC(C#N)C(=O)O BB32-3033 [2,0,0,0,0,0|1,0,1]=4 12 B6R0.3 CC[C@@H](C)C(=O)O BB31-4656 [2,0,0,0,0,0|0,0,0]=2 13 B6R0.3 CC[C@@H](O)C(=O)O BB31-3920 [2,0,0,0,0,0|1,0,0]=3 14 B6R0.3 CN(C)C(=O)CI BB31-8712 [2,0,0,0,0,0|2,0,0]=4 15 B6R0.3 NC[C@@H](N)C(=O)O BB31-4003 [2,0,0,0,0,0|2,0,0]=4 16 B8R0.23 CC(=O)C(=O)OC(C)C BB31-7341 [1,1,0,0,0,0|1,0,1]=4 17 B8R0.13 COC(=O)C(C)(C)C=O BB31-8066 [1,1,0,0,0,0|1,0,1]=4 18 B8R0.20 CCN(CC)C(=O)CN BB31-5658 [1,1,0,0,0,0|2,0,0]=4 19 B10R0.2 CCOC(=O)NC(=O)OCC BB32-0619 [0,1,0,0,0,1|1,0,1]=4 20 B10R0.100 CCOC(=O)C(C)S(C)(=O)=O BB32-3832 [0,2,0,0,0,0|1,0,0]=3 21 B10R0.100 CCOC(=O)C(O)C(F)(F)F BB31-7553 [0,2,0,0,0,0|2,0,0]=4 22 B10R0.37 CC[C@@H](O)C(=O)OC(C)(C)C BB31-4089 [0,2,0,0,0,0|1,0,0]=3 23 B10R0.37 CC[C@H](O)C(=O)OC(C)(C)C BB32-1850 [0,2,0,0,0,0|1,0,0]=3 24 B8R1.2 CCC1CCCNC1 BB31-8098 [1,0,0,1,0,0|1,0,1]=4 25 B8R1.2 CC[C@@H]1COCCN1 BB31-8706 [1,0,0,1,0,0|1,0,1]=4 26 B8R1.2 CC[C@@H]1COCCN1 BB32-1053 [1,0,0,1,0,0|1,0,1]=4 27 B8R1.3 C[C@@H]1CO[C@H](C)CN1 BB31-3235 [1,0,0,1,0,0|1,0,1]=4 28 B8R1.3 C[C@H]1CN[C@H](C)CO1 BB31-3234 [1,0,0,1,0,0|1,0,1]=4 29 B8R1.22 CC1CCCCCN1 BB32-1446 [1,0,0,1,0,0|2,0,0]=4 30 B8R1.7 CC(C)C1=NCCO1 BB31-5692 [1,0,0,1,0,0|1,0,0]=3 31 B8R1.19 CC1(C)CCNC1=S BB31-1760 [1,0,0,1,0,0|1,1,0]=4 32 B8R1.54 CC(Br)C(=O)C1CC1 BB32-2128 [1,0,0,1,0,0|2,0,0]=4 33 B8R1.4 CC1CCNC(=O)C1 BB31-5195 [1,0,0,1,0,0|1,0,0]=3 34 B8R1.4 CC1CCOC(=O)O1 BB31-3403 [1,0,0,1,0,0|1,0,0]=3 35 B8R1.4 CN1CCCC(=O)C1 BB31-5533 [1,0,0,1,0,0|2,0,0]=4 36 B8R1.4 C[C@@H]1COCC(=O)N1 BB31-1397 [1,0,0,1,0,0|2,0,0]=4 37 B8R1.4 C[C@H]1CC(=O)CCN1 BB32-0051 [1,0,0,1,0,0|2,0,0]=4 38 B8R1.4 O=C1CCCC(O)C1 BB31-8636 [1,0,0,1,0,0|2,0,0]=4 39 B8R1.4 O=C1C[C@H](O)CCN1 BB31-8745 [1,0,0,1,0,0|2,0,0]=4 40 B10R1.135 CCOC(=O)C1CC1C#N BB32-3111 [0,0,0,1,0,1|1,0,1]=4 41 B10R1.137 CCOC(=O)C=C1CSC1 BB32-0291 [0,0,0,1,0,1|1,0,1]=4 42 B10R1.137 CCOC(=O)CC1CCC1 BB32-1564 [0,0,0,1,0,1|0,0,0]=2 43 B10R1.137 CCOC(=O)CC1COC1 BB31-9281 [0,0,0,1,0,1|1,0,0]=3 44 B10R1.400 CCOC(=O)C1NC1(C)C BB31-8618 [0,1,0,1,0,0|1,0,0]=3 45 B10R1.230 CCC1(C)NCCNC1=O BB52-8150 [0,1,0,1,0,0|1,0,0]=3 46 B10R1.63 CC1CNC(C)(C)C(=O)C1 BB54-5671 [0,1,0,1,0,0|2,0,0]=4 47 B10R1.401 CCOC(=O)C1(C)CCC1 BB32-3425 [0,1,0,1,0,0|0,0,0]=2 48 B10R1.11 CCOC(=O)C1=CCCC1 BB31-0334 [0,1,0,1,0,0|0,0,1]=3 49 B10R1.222 CCN(CC)C(=O)C1CC1 BB31-7963 [0,1,0,1,0,0|2,0,0]=4 50 B10R2.178 O=C1CCC2CCC1N2 BB31-3938 [0,0,0,2,0,0|2,0,0]=4 51 B10R2.62 O=C1CC2CCC1CC2 BB31-4783 [0,0,0,2,0,0|1,0,0]=3 52 B10R2.62 O=C1NC2CCC1CC2 BB32-1630 [0,0,0,2,0,0|1,0,0]=3