0 B9R0.5 CCCCCC(O)CCO O28430 [1,0,0,0,0,0|1,0,2]=4 1 B9R0.5 CCCCCN(C)CCO Q66064 [1,0,0,0,0,0|3,0,0]=4 2 B9R0.5 CCCCNC(=O)CC#N P38337 [1,0,0,0,0,0|2,0,1]=4 3 B9R0.18 CCCCC(N)CCCC M15282 [1,0,0,0,0,0|2,0,1]=4 4 B11R0.154 CCCCCC(=O)CC(=O)OC P39583 [0,1,0,0,0,0|2,0,1]=4 5 B11R1.299 NCCCNC(=O)C1CCC1 P49198 [0,0,0,1,0,0|3,0,0]=4 6 B11R1.299 NCCCNC(=O)C1CCC1 P49977 [0,0,0,1,0,0|3,0,0]=4 7 B8R0.1 C=CCOC(=O)CCC Q69608 [2,0,0,0,0,0|0,0,2]=4 8 B8R0.1 CCC#CC(=O)OCC Q56870 [2,0,0,0,0,0|0,0,2]=4 9 B8R0.1 CCCNC(=O)CCN P42190 [2,0,0,0,0,0|2,0,0]=4 10 B8R0.1 CCCNC(=O)CNC P35278 [2,0,0,0,0,0|2,0,0]=4 11 B8R0.1 CCCNC(=O)CNC P42832 [2,0,0,0,0,0|2,0,0]=4 12 B8R0.6 CNCCCC(=O)OC H-8710 [2,0,0,0,0,0|1,0,0]=3 13 B8R0.6 COC(=O)CCCCN P38983 [2,0,0,0,0,0|1,0,0]=3 14 B10R0.1 CCOC(=O)CCCN=[N+]=[N-] P37717 [1,1,0,0,0,0|2,0,0]=4 15 B10R0.1 CCOC(=O)CNCCC#N P51415 [1,1,0,0,0,0|1,0,1]=4 16 B10R0.2 CCOC(=O)CC(=O)COC P36738 [1,1,0,0,0,0|1,0,1]=4 17 B10R0.3 CCOC(=O)CCCC(C)=O K13405 [1,1,0,0,0,0|0,0,1]=3 18 B10R0.108 CCOC(=O)CCC(=O)CBr O30317 [1,1,0,0,0,0|1,0,1]=4 19 B12R0.239 CCCCCC(=O)CC(=O)OCC P42837 [0,2,0,0,0,0|1,0,1]=4 20 B12R0.206 CCCCCCCC(=O)SCCO P42165 [0,2,0,0,0,0|1,1,0]=4 21 B10R1.10 CCCC1CC(=O)CCO1 Q57712 [1,0,0,1,0,0|1,0,0]=3 22 B10R1.11 CCOC(=O)C1CCNC1 P35998 [1,0,0,1,0,0|1,0,0]=3 23 B10R1.11 CCOC(=O)[C@@H]1CCNC1 P47011 [1,0,0,1,0,0|1,0,0]=3 24 B10R1.11 CCOC(=O)[C@H]1CCNC1 P47010 [1,0,0,1,0,0|1,0,0]=3 25 B10R1.11 N#CCC(=O)C1CCCC1 G-7566 [1,0,0,1,0,0|1,0,1]=4 26 B10R1.11 NCCC(=O)N1CCCC1 P36713 [1,0,0,1,0,0|2,0,0]=4 27 B10R1.11 O=C(CCCl)N1CCCC1 P36937 [1,0,0,1,0,0|2,0,0]=4 28 B10R1.21 CCCCCC1CCCN1 Q59373 [1,0,0,1,0,0|1,0,1]=4 29 B10R1.21 CCCCCC1CCCN1 Q59374 [1,0,0,1,0,0|1,0,1]=4 30 B10R1.135 CCOC(=O)C1CC1C#N L22365 [1,0,0,1,0,0|1,0,1]=4 31 B10R1.135 CCOC(=O)C1CC1CO L14731 [1,0,0,1,0,0|1,0,0]=3 32 B10R1.135 CCOC(=O)[C@@H]1C[C@@H]1C#N L14845 [1,0,0,1,0,0|1,0,1]=4 33 B10R1.135 CCOC(=O)[C@@H]1C[C@H]1C#N L22329 [1,0,0,1,0,0|1,0,1]=4 34 B10R1.137 CCOC(=O)C=C1CCC1 P39116 [1,0,0,1,0,0|0,0,2]=4 35 B10R1.137 CCOC(=O)CC1CCC1 O32497 [1,0,0,1,0,0|0,0,0]=2 36 B10R1.137 CCOC(=O)CC1CNC1 P36470 [1,0,0,1,0,0|1,0,0]=3 37 B10R1.137 CCOC(=O)CC1COC1 P42298 [1,0,0,1,0,0|1,0,0]=3 38 B10R1.138 CCOC(=O)\C=C\C1CC1 P37267 [1,0,0,1,0,0|0,0,2]=4 39 B10R1.197 O=C1CCC(CO)CCN1 L19235 [1,0,0,1,0,0|2,0,0]=4 40 B10R1.260 CCOC1CC(=O)C1OC P48136 [1,0,0,1,0,0|2,0,0]=4 41 B10R1.260 CCO[C@@H]1CC(=O)[C@H]1OC P48968 [1,0,0,1,0,0|2,0,0]=4 42 B10R1.4 O=C1CCCCN1CCO L19233 [1,0,0,1,0,0|2,0,0]=4 43 B10R1.178 CCCNC(=O)N1CCC1 P47418 [1,0,0,1,0,0|2,0,0]=4 44 B10R1.178 NCCNC(=O)C1CCC1 P44732 [1,0,0,1,0,0|2,0,0]=4 45 B10R1.178 NCCNC(=O)C1CCC1 P47044 [1,0,0,1,0,0|2,0,0]=4 46 B12R1.308 CCOC(=O)C1CCCOC1=O Q65246 [0,1,0,1,0,0|1,0,1]=4 47 B12R1.18 NCCCN1CCCCCC1=O L21024 [0,1,0,1,0,0|1,0,0]=3 48 B12R1.30 CCCNC(=O)[C@@H]1CCCNC1 P35511 [0,1,0,1,0,0|1,0,0]=3 49 B12R1.30 COCCC(=O)C1CCOCC1 Q57790 [0,1,0,1,0,0|2,0,0]=4 50 B12R1.30 NCCNC(=O)C1CCCCC1 Q59676 [0,1,0,1,0,0|2,0,0]=4 51 B12R1.30 O=C(NCCO)C1CCCNC1 P37884 [0,1,0,1,0,0|2,0,0]=4 52 B12R1.54 CC(=O)CCC(=O)C1CCCC1 Q59164 [0,1,0,1,0,0|1,0,1]=4 53 B12R1.551 CC(C)COC(=O)NC1CNC1 P48037 [0,1,0,1,0,0|2,0,0]=4 54 B12R1.267 O=C1CCCCC1CNCCBr L20757 [0,1,0,1,0,0|2,0,0]=4 55 B12R1.561 CNCCCNC(=O)C1CCC1 P49721 [0,1,0,1,0,0|2,0,0]=4 56 B12R1.35 CCCCOC(=O)C1CCNC1 Q61980 [0,1,0,1,0,0|1,0,0]=3 57 B12R1.2279 CCCOC1(CN)CCCCC1 Q59804 [0,1,0,1,0,0|1,0,1]=4 58 B12R1.2279 CCCOC1(CN)CCCCC1 Q59805 [0,1,0,1,0,0|1,0,1]=4 59 B12R1.55 CCOC(=O)C(=O)C1CCCC1 K12408 [0,1,0,1,0,0|2,0,0]=4 60 B12R2.229 O=C1CCNCC2CCCN12 F-4412 [0,0,0,2,0,0|2,0,0]=4 61 B12R2.455 O=C1CNCC2CCCN1C2 P50013 [0,0,0,2,0,0|2,0,0]=4 62 B12R2.24 O=C1CCC2NCCCC2N1 Q61229 [0,0,0,2,0,0|2,0,0]=4 63 B12R2.24 O=C1CN2CCCCC2CN1 Q59920 [0,0,0,2,0,0|2,0,0]=4 64 B12R2.24 O=C1CNC2CCCCC2N1 Q58043 [0,0,0,2,0,0|2,0,0]=4 65 B12R2.1081 O=C1CCCN2CCCCC12 Q59929 [0,0,0,2,0,0|2,0,0]=4 66 B12R2.1081 O=C1CNCC2CCCCN12 F-4462 [0,0,0,2,0,0|2,0,0]=4 67 B12R2.1081 O=C1OCCC2CNCCN12 Q58056 [0,0,0,2,0,0|2,0,0]=4 68 B12R2.1081 O=C1OCCN2CCNCC12 Q56898 [0,0,0,2,0,0|2,0,0]=4 69 B12R2.594 O=C1CC2CCCC(CN1)N2 P49370 [0,0,0,2,0,0|2,0,0]=4 70 B12R2.202 C[C@H]1CNC[C@H]2NC(=O)O[C@H]12 Q61109 [0,0,0,2,0,0|2,0,0]=4 71 B12R2.1172 CC12CCCN1CC(=O)NC2 Q63025 [0,0,0,2,0,0|2,0,0]=4 72 B12R2.1172 C[C@@]12CCCN1CC(=O)NC2 Q63027 [0,0,0,2,0,0|2,0,0]=4 73 B12R2.1172 C[C@]12CCCN1CC(=O)NC2 Q63026 [0,0,0,2,0,0|2,0,0]=4 74 B12R2.1154 [C@H]12CCC[C@H](CC(=O)C1)N2C L13639 [0,0,0,2,0,0|2,0,0]=4 75 B12R2.3934 CN1CCC(=O)CC12CCC2 Q54128 [0,0,0,2,0,0|2,0,0]=4 76 B12R2.2289 CCOC1CC(=O)C12CCC2 Q57628 [0,0,0,2,0,0|2,0,0]=4