0 B7R0.6 C=C(C)COC(C)=O BB12-2984 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.6 CC(=O)OCC(=O)Cl BB12-3445 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.6 CC(C)=NNC(=N)N BB57-3979 [0,0,0,0,0,0|4,0,0]=4 3 B7R0.6 CC(C)=NNC(N)=O BB12-2973 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.6 CC(C)CNC(N)=O BB01-7595 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.6 CC(C)SCC(=O)O BB12-3365 [0,0,0,0,0,0|1,0,1]=2 6 B7R0.6 CC(O)CNC(C)C BB58-2123 [0,0,0,0,0,0|2,0,2]=4 7 B7R0.6 CN(C)CCC(=O)O BB55-3488 [0,0,0,0,0,0|1,0,1]=2 8 B7R0.6 N=C(N)SCC(=O)O BB55-4565 [0,0,0,0,0,0|3,0,0]=3 9 B7R0.6 N=C(N)SCC(N)=O BB57-4170 [0,0,0,0,0,0|4,0,0]=4 10 B6R0.4 C=CCNC(C)C BB12-1319 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.4 CC(C)SCCO BB53-1392 [1,0,0,0,0,0|1,0,2]=4 12 B6R0.4 CCOCC(=O)Cl BB01-8267 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.4 CCSCC(=O)O BB12-3264 [1,0,0,0,0,0|1,0,1]=3 14 B6R0.4 CNCCC(=O)O BB12-1452 [1,0,0,0,0,0|1,0,1]=3 15 B6R0.4 COCCC(=O)Cl BB20-1617 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.4 COCCC(C)=O BB58-1056 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.9 CC(=O)NC\C(N)=N/O BB57-3732 [0,1,0,0,0,0|3,0,0]=4 18 B8R0.9 CCC(=O)CCC(=O)O BB57-6622 [0,1,0,0,0,0|1,0,1]=3 19 B8R0.9 CCC(=O)NCC(=O)O BB55-4733 [0,1,0,0,0,0|2,0,0]=3 20 B8R0.9 CCC(N)CCC(=O)O BB57-2163 [0,1,0,0,0,0|1,0,2]=4 21 B8R0.9 CCN(C)CCC(=O)O BB12-3650 [0,1,0,0,0,0|1,0,1]=3 22 B8R0.9 CCS(=O)CCC(=O)O BB12-3269 [0,1,0,0,0,0|2,0,1]=4 23 B8R0.9 NCC(=O)CCC(=O)O BB57-4885 [0,1,0,0,0,0|1,0,1]=3 24 B8R0.23 C=C(NC(C)=O)C(=O)O BB01-7568 [0,1,0,0,0,0|2,0,1]=4 25 B8R0.23 CC(=O)CC(=O)C(C)C BB12-3661 [0,1,0,0,0,0|1,0,1]=3 26 B8R0.23 CC(C)CC(N)C(N)=O BB57-6612 [0,1,0,0,0,0|1,0,2]=4 27 B8R0.23 CC(C)N(C)CC(=O)O BB58-1905 [0,1,0,0,0,0|1,0,1]=3 28 B8R0.23 CC(C)[C@H](N)CC(=O)O BB01-8380 [0,1,0,0,0,0|0,0,2]=3 29 B8R0.23 CC(CC(=O)O)N(C)C BB12-1308 [0,1,0,0,0,0|1,0,1]=3 30 B8R0.23 CC(CN(C)C)C(=O)O BB12-1434 [0,1,0,0,0,0|1,0,1]=3 31 B8R0.23 CN(CC(=O)O)C(=S)S BB57-5253 [0,1,0,0,0,0|3,0,0]=4 32 B8R0.23 CN(CC(=O)O)C(N)=O BB57-2505 [0,1,0,0,0,0|3,0,0]=4 33 B8R0.29 CC(C)(C)CCC(=O)O BB57-2925 [0,1,0,0,0,0|0,0,2]=3 34 B8R0.29 CC(C)(N)CCC(=O)O BB12-1634 [0,1,0,0,0,0|0,0,2]=3 35 B8R0.29 CS(=O)(=O)CCC(=O)O BB55-8892 [0,1,0,0,0,0|2,0,1]=4 36 B8R0.29 CS(=O)(=O)NCC(=O)O BB55-4727 [0,1,0,0,0,0|3,0,0]=4 37 B8R1.3 CC1=CN=C(O)N=C1 BB12-3539 [0,0,0,1,0,0|2,0,1]=4 38 B8R1.23 O=C(O)C1CC(O)C1 BB58-2196 [0,0,0,1,0,0|1,0,2]=4 39 B8R1.35 O=C(O)C#CC1CC1 BB58-3544 [0,0,0,1,0,0|0,0,3]=4 40 B8R1.51 CC1(C)CC(=O)CO1 BB58-3838 [0,0,0,1,0,0|2,0,1]=4 41 B8R1.51 CC1(C)CCC(=O)N1 BB12-1604 [0,0,0,1,0,0|1,0,2]=4 42 B6R0.2 CC(C)=CC(=O)O BB01-7468 [0,0,0,0,1,0|0,0,0]=1 43 B6R0.2 CC(C)NC(N)=O BB01-7616 [0,0,0,0,1,0|2,0,1]=4 44 B6R0.2 CC(N)CC(=O)O BB12-2890 [0,0,0,0,1,0|1,0,1]=3 45 B6R0.2 NC(=O)CC(=O)O BB55-4726 [0,0,0,0,1,0|2,0,0]=3 46 B6R0.2 O=C(O)CC(F)F BB31-2950 [0,0,0,0,1,0|2,0,1]=4 47 B8R0.28 CC(C)CNCC(=O)O BB20-0181 [0,0,0,0,0,1|0,0,2]=3 48 B8R0.28 CN(C)CCCC(=O)O BB01-6266 [0,0,0,0,0,1|1,0,1]=3 49 B8R0.28 NC(=O)CCCC(=O)O BB12-2466 [0,0,0,0,0,1|2,0,1]=4 50 B8R0.28 NC(=O)COCC(=O)O BB12-2362 [0,0,0,0,0,1|2,0,1]=4 51 B5R0.1 CNCC(C)=O BB12-3010 [2,0,0,0,0,0|2,0,0]=4 52 B7R0.2 CCN(C)CC(=O)O BB12-1321 [1,1,0,0,0,0|1,0,1]=4 53 B7R0.2 CNC(=O)CC(=O)O BB55-4725 [1,1,0,0,0,0|1,0,0]=3 54 B7R0.2 CNC(C)CC(=O)O BB12-1285 [1,1,0,0,0,0|1,0,1]=4 55 B7R0.2 C\C(C=O)=C\N(C)C BB12-3546 [1,1,0,0,0,0|1,0,1]=4 56 B7R0.4 C=CCSCC(=O)O BB12-3265 [1,1,0,0,0,0|0,0,2]=4 57 B7R0.4 CCCNCC(=O)O BB20-0186 [1,1,0,0,0,0|0,0,2]=4 58 B7R0.4 CCCOCC(=O)O BB55-7872 [1,1,0,0,0,0|0,0,2]=4 59 B7R0.4 CCCSCC(=O)O BB12-3263 [1,1,0,0,0,0|0,0,2]=4 60 B7R0.4 CCSCCC(=O)O BB12-3270 [1,1,0,0,0,0|0,0,2]=4 61 B7R0.4 O=C(O)CNCCO BB58-1263 [1,1,0,0,0,0|1,0,1]=4 62 B7R0.5 CC(NC=O)C(=O)O BB12-1345 [1,1,0,0,0,0|2,0,0]=4 63 B7R0.5 CCSC(C)C(=O)O BB12-3261 [1,1,0,0,0,0|1,0,1]=4 64 B7R0.5 CN(C)C(=O)CCO BB12-3663 [1,1,0,0,0,0|1,0,1]=4 65 B7R0.5 CNCC(C)C(=O)O BB12-1637 [1,1,0,0,0,0|1,0,1]=4 66 B7R0.16 CC(=O)C(=O)N(C)C BB58-1081 [0,1,0,0,1,0|2,0,0]=4 67 B7R0.16 CC(C(=O)O)C(=O)O BB20-4558 [0,1,0,0,1,0|2,0,0]=4 68 B7R0.16 CC(C(=O)O)N(C)C BB12-1429 [0,1,0,0,1,0|1,0,0]=3 69 B9R0.7 CC(C)=CC[C@H](N)C(=O)O BB32-0842 [0,1,0,0,0,1|0,0,0]=2 70 B9R0.7 CC(C)N(C)CCC(=O)O BB12-3651 [0,1,0,0,0,1|0,0,2]=4 71 B9R0.7 CN(C)C(=O)NCC(=O)O BB55-4735 [0,1,0,0,0,1|1,0,0]=3 72 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O BB12-2279 [0,1,0,0,0,1|1,0,1]=4 73 B9R0.53 CC(=O)NC(C)CC(=O)O BB57-3774 [0,1,0,0,0,1|1,0,1]=4 74 B9R0.53 CC(C)NC(=O)CC(=O)O BB57-3775 [0,1,0,0,0,1|0,0,1]=3 75 B9R0.56 CC(C)(C)SCCC(=O)O BB54-4513 [0,1,0,0,0,1|0,0,2]=4 76 B9R0.23 COC(=O)C(C)CN(C)C BB12-3648 [0,2,0,0,0,0|1,0,1]=4 77 B9R0.23 O=C(O)CC(Br)C(=O)CBr BB54-5215 [0,2,0,0,0,0|1,0,1]=4 78 B9R0.24 COC(=O)CCC(=O)CBr BB58-1129 [0,2,0,0,0,0|1,0,1]=4 79 B9R0.42 CCN(C)CC(C)C(=O)O BB12-1433 [0,2,0,0,0,0|1,0,1]=4 80 B9R0.48 CCOC(=S)SCC(=O)O BB57-7098 [0,2,0,0,0,0|2,0,0]=4 81 B9R0.10 CC(CC(=O)O)C(C)(C)N BB57-2162 [0,2,0,0,0,0|0,0,2]=4 82 B9R0.11 CC(=O)NC(C)(C)C(=O)O BB57-1682 [0,2,0,0,0,0|2,0,0]=4 83 B9R0.39 CN[C@H](CC(C)C)C(=O)O BB31-2327 [0,2,0,0,0,0|0,0,2]=4 84 B7R1.2 O=[13C]1CC[13C](=O)O1 BB54-5289 [1,0,0,1,0,0|1,0,1]=4 85 B7R1.3 CC1=CCNCC1 BB57-2457 [1,0,0,1,0,0|2,0,0]=4 86 B7R1.18 O=C(O)C1CCN1 BB57-4884 [1,0,0,1,0,0|1,0,1]=4 87 B7R1.18 O=C(O)C1CCO1 BB31-4760 [1,0,0,1,0,0|1,0,1]=4 88 B9R1.35 C=C1CCC(C(=O)O)C1 BB58-5288 [0,0,0,1,0,1|0,0,2]=4 89 B9R1.35 CC1=CC(C(=O)O)=CS1 BB55-0634 [0,0,0,1,0,1|0,0,2]=4 90 B9R1.35 CC1=CNC(C(=O)O)=N1 BB12-3671 [0,0,0,1,0,1|1,0,1]=4 91 B9R1.35 CC1=NC(C(=O)O)=CS1 BB01-2835 [0,0,0,1,0,1|1,0,1]=4 92 B9R1.35 CC1=NC(C(=O)O)CC1 BB58-2824 [0,0,0,1,0,1|1,0,1]=4 93 B9R1.35 CC1=NC=C(C(=O)O)N1 BB90-0104 [0,0,0,1,0,1|1,0,1]=4 94 B9R1.35 CC1=NC=C(C(=O)O)S1 BB57-5871 [0,0,0,1,0,1|1,0,1]=4 95 B9R1.35 CC1=NOC(C(=O)O)C1 BB05-4673 [0,0,0,1,0,1|1,0,0]=3 96 B9R1.35 CC1=NOC(C(=O)O)C1 BB55-3992 [0,0,0,1,0,1|1,0,0]=3 97 B9R1.35 CN1CCC(C(=O)O)C1 BB55-3489 [0,0,0,1,0,1|1,0,1]=4 98 B9R1.35 O=C1CC(C(=O)O)CN1 BB57-2160 [0,0,0,1,0,1|1,0,1]=4 99 B9R1.35 O=C1CC(C(=O)O)CS1 BB01-0509 [0,0,0,1,0,1|1,0,1]=4 100 B9R1.85 O=C(O)CSCC1CC1 BB12-3262 [0,0,0,1,0,1|0,0,2]=4 101 B9R1.1 CC1=CCC(C=O)CC1 BB17-2241 [0,1,0,1,0,0|1,0,1]=4 102 B9R1.69 CC1=CN=C(O)N=C1C BB58-0334 [0,1,0,1,0,0|2,0,0]=4 103 B9R1.84 O=C(O)CCC1CCC1 BB57-2132 [0,1,0,1,0,0|0,0,2]=4 104 B9R1.95 COC1CC(C(=O)O)C1 BB58-3428 [0,1,0,1,0,0|0,0,2]=4 105 B9R1.133 O=S1(=O)CC=C(CBr)C1 BB54-1220 [0,1,0,1,0,0|1,0,1]=4 106 B9R1.38 C=C1OC(=O)OC1(C)C BB54-0056 [0,1,0,1,0,0|1,0,1]=4 107 B9R1.137 CC(=O)CC(=O)C1CC1 BB12-3707 [0,1,0,1,0,0|1,0,1]=4