0 B10R0.4 CCCCCCCCB(O)O MC31112 [0,0,0,0,0,0|1,0,1]=2 1 B10R0.4 CCCCCCCCC(C)C CS21688 [0,0,0,0,0,0|2,0,1]=3 2 B10R0.4 CCCCCC\C=C\B(O)O MC425764 [0,0,0,0,0,0|1,0,3]=4 3 B10R0.4 NCCOCCOCC(=O)O CS12154 [0,0,0,0,0,0|3,0,0]=3 4 B10R0.4 NCCOCCOCC(=O)O MC428319 [0,0,0,0,0,0|3,0,0]=3 5 B10R0.4 [N-]=[N+]=NCCCCCC(=O)O MC436282 [0,0,0,0,0,0|3,0,0]=3 6 B9R0.2 CCCCCCCC(=O)Cl MC40496 [1,0,0,0,0,0|1,0,0]=2 7 B9R0.2 CCCCCCOC(=O)Cl CS11449 [1,0,0,0,0,0|2,0,0]=3 8 B9R0.2 CCCSCCCC(=O)O MC112372 [1,0,0,0,0,0|1,0,0]=2 9 B9R0.2 NCCCCCCC(=O)O CS10138 [1,0,0,0,0,0|1,0,0]=2 10 B9R0.2 O=C(O)CCCCCCO CS10820 [1,0,0,0,0,0|1,0,0]=2 11 B9R0.2 [N-]=[N+]=NCCCCC(=O)O MC113086 [1,0,0,0,0,0|3,0,0]=4 12 B9R0.45 C#CCCCCCCCO MC424005 [1,0,0,0,0,0|0,0,3]=4 13 B9R0.45 CCCCCCCCNC CS15827 [1,0,0,0,0,0|2,0,0]=3 14 B9R0.45 ClCCCCCCCCCl CS20556 [1,0,0,0,0,0|2,0,1]=4 15 B9R0.45 OCCCCCCCCBr CS14609 [1,0,0,0,0,0|1,0,1]=3 16 B9R0.45 OCCCCCCCCO CS20567 [1,0,0,0,0,0|1,0,1]=3 17 B11R0.2 CCCCCCC(C)CC(=O)O MC112332 [0,1,0,0,0,0|0,0,0]=1 18 B11R0.30 O=C(O)CCCCCCC(=O)O CS11964 [0,1,0,0,0,0|1,0,1]=3 19 B11R0.148 CCCCCCC\C=C\C(=O)O MC424008 [0,1,0,0,0,0|0,0,1]=2 20 B11R0.148 COCCOCCOCC(=O)O MC10459 [0,1,0,0,0,0|2,0,0]=3 21 B11R0.148 O=C(O)CCCCCCCCBr CS21300 [0,1,0,0,0,0|0,0,0]=1 22 B11R0.159 CCCCCCCCS(=O)(=O)Cl MC32081 [0,1,0,0,0,0|1,0,1]=3 23 B11R0.159 CCCCCCCCS(=O)(=O)F MC32082 [0,1,0,0,0,0|1,0,1]=3 24 B11R0.159 CCCCCCCCS(=O)(=O)O MC32083 [0,1,0,0,0,0|1,0,0]=2 25 B11R0.159 CCCCCCCCS(=O)(=O)[O-] MC32084 [0,1,0,0,0,0|1,0,1]=3 26 B11R0.159 CCCCCCCCS(=O)(=O)[O-] MC445028 [0,1,0,0,0,0|1,0,1]=3 27 B11R0.159 CCCCCCCCS(N)(=O)=O MC32085 [0,1,0,0,0,0|1,0,1]=3 28 B11R0.176 CCOC(=O)CCCCC(N)=O MC428169 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.86 NC(=O)CC1CCCCC1=O MC102254 [0,0,0,1,0,0|2,0,1]=4 30 B11R1.91 O=C(O)C#CC1CCCCC1 CS16585 [0,0,0,1,0,0|0,0,2]=3 31 B8R0.4 C#CCCCCCCO CS10833 [2,0,0,0,0,0|0,0,2]=4 32 B8R0.4 CCCCCOCCO MC437002 [2,0,0,0,0,0|1,0,0]=3 33 B8R0.4 CCCCNCCCC CS11229 [2,0,0,0,0,0|1,0,1]=4 34 B8R0.4 OCCCCCCCBr CS13415 [2,0,0,0,0,0|1,0,0]=3 35 B8R0.4 OCCCNCCCO CS21826 [2,0,0,0,0,0|2,0,0]=4 36 B8R0.7 CCCCCCB(O)O MC31067 [2,0,0,0,0,0|1,0,1]=4 37 B8R0.7 COCCOCC(=O)O MC10458 [2,0,0,0,0,0|2,0,0]=4 38 B8R0.7 CSCCCCC(=O)O MC112374 [2,0,0,0,0,0|1,0,0]=3 39 B8R0.7 NCCCCCC(=O)O CS13381 [2,0,0,0,0,0|1,0,0]=3 40 B8R0.7 O=C(O)CCCCCBr CS18405 [2,0,0,0,0,0|1,0,0]=3 41 B10R0.6 CCCCCC(C)CC(=O)O MC112327 [1,1,0,0,0,0|0,0,0]=2 42 B10R0.22 CCCCCCCS(=O)(=O)[O-] MC445021 [1,1,0,0,0,0|1,0,1]=4 43 B10R0.22 CCCCCCCS(=O)(=O)[O-] MC445027 [1,1,0,0,0,0|1,0,1]=4 44 B10R0.55 COC(=O)CCCCC(=O)O CS19614 [1,1,0,0,0,0|1,0,1]=4 45 B10R0.74 CCCCCCCC(=O)NO CS11097 [1,1,0,0,0,0|0,0,0]=2 46 B10R0.74 COC(=O)CCCCCCN CS14288 [1,1,0,0,0,0|1,0,0]=3 47 B10R0.75 CNCCCCC(N)C(=O)O MC437873 [1,1,0,0,0,0|1,0,0]=3 48 B10R0.78 CCCCC(=O)NCC(=O)O MC428130 [1,1,0,0,0,0|1,0,1]=4 49 B10R0.97 O=C(O)CCCCCC(=O)O CS19817 [1,1,0,0,0,0|1,0,1]=4 50 B10R0.1 CCCCCCC(C)CCBr MC112334 [1,1,0,0,0,0|1,0,1]=4 51 B10R0.1 CCCCCCC(C)CCO MC112333 [1,1,0,0,0,0|0,0,1]=3 52 B10R0.71 BrCCCCCCCCCBr CS20559 [1,1,0,0,0,0|1,0,1]=4 53 B10R0.71 C=CCCCCCCCCBr CS20576 [1,1,0,0,0,0|1,0,0]=3 54 B10R0.71 ClCCCCCCCCCCl CS20560 [1,1,0,0,0,0|1,0,1]=4 55 B12R0.113 CCCCCCC(C)OC(=O)CCl MC114125 [0,2,0,0,0,0|2,0,0]=4 56 B12R0.202 CCCCCCC(CC)CC(=O)O MC112336 [0,2,0,0,0,0|0,0,0]=2 57 B12R0.42 CC(=N)NCCCCC(N)C(=O)O MC437855 [0,2,0,0,0,0|1,0,1]=4 58 B12R0.42 CC(=O)NCCCCC(N)C(=O)O MC437853 [0,2,0,0,0,0|1,0,1]=4 59 B12R0.42 CC(=O)NCCCCC(N)C(=O)O MC437854 [0,2,0,0,0,0|1,0,1]=4 60 B12R0.42 CC(C)NCCCCC(N)C(=O)O MC437872 [0,2,0,0,0,0|1,0,0]=3 61 B12R0.42 NC(CCCCCC(=O)O)C(=O)O MC436277 [0,2,0,0,0,0|1,0,1]=4 62 B12R0.42 NC(CCCCCC(=O)O)C(=O)O MC436278 [0,2,0,0,0,0|1,0,1]=4 63 B12R0.42 NC(CCCCCC(=O)O)C(=O)O MC436279 [0,2,0,0,0,0|1,0,1]=4 64 B12R0.184 COC(=O)CCCCCCC(=O)O CS11965 [0,2,0,0,0,0|0,0,1]=3 65 B12R0.1 CCCCCCCCS(=O)CCO MC437764 [0,2,0,0,0,0|1,0,0]=3 66 B12R0.1 CCOC(=O)CCCCCCCBr CS14864 [0,2,0,0,0,0|1,0,0]=3 67 B12R0.251 CCCCCCCCC(N)C(=O)O MC428037 [0,2,0,0,0,0|0,0,0]=2 68 B12R0.119 CCCCCCCCCS(=O)(=O)[O-] MC445022 [0,2,0,0,0,0|1,0,1]=4 69 B12R0.234 C=CCCCCCCCCC(=O)O MC41958 [0,2,0,0,0,0|0,0,0]=2 70 B12R0.234 O=C(O)\C=C\CCCCCCCO CS13683 [0,2,0,0,0,0|0,0,1]=3 71 B10R1.10 CCCC1CCCC(=O)C1 MC106166 [1,0,0,1,0,0|1,0,0]=3 72 B10R1.10 CCCC1CCCC(O)C1 MC106169 [1,0,0,1,0,0|1,0,1]=4 73 B10R1.10 COCC1CCCC(=O)C1 MC106177 [1,0,0,1,0,0|2,0,0]=4 74 B10R1.18 O=C(O)CC1CCCCC1 CS10565 [1,0,0,1,0,0|0,0,0]=2 75 B10R1.18 O=C(O)CC1CCCNC1 CS15743 [1,0,0,1,0,0|1,0,0]=3 76 B10R1.18 O=C(O)CC1CCNCC1 CS10136 [1,0,0,1,0,0|1,0,0]=3 77 B10R1.18 O=C(O)CC1CCOCC1 CS19613 [1,0,0,1,0,0|1,0,0]=3 78 B10R1.18 O=C(O)CC1COCCN1 CS14263 [1,0,0,1,0,0|2,0,0]=4 79 B10R1.18 O=C(O)CC1COCCN1 MC104152 [1,0,0,1,0,0|2,0,0]=4 80 B10R1.61 CN1CCCCC1C(=O)O MC20434 [1,0,0,1,0,0|1,0,0]=3 81 B10R1.61 O=C(O)C1CCCCC1O CS21597 [1,0,0,1,0,0|1,0,0]=3 82 B10R1.64 CN1CCCC1CC(=O)O MC116521 [1,0,0,1,0,0|1,0,0]=3 83 B10R1.66 O=C(Cl)CCC1CCCC1 MC20931 [1,0,0,1,0,0|1,0,0]=3 84 B10R1.66 O=C(O)CCC1CCCN1 MC431310 [1,0,0,1,0,0|1,0,0]=3 85 B10R1.348 O=C(O)C1CCCCCC1 CS20527 [1,0,0,1,0,0|0,0,0]=2 86 B10R1.4 CCCC1=CCCCC1=O MC106174 [1,0,0,1,0,0|0,0,2]=4 87 B10R1.17 ICCCC1CCCCC1 MC111977 [1,0,0,1,0,0|1,0,1]=4 88 B10R1.20 OCC1CCCCC1CO MC31260 [1,0,0,1,0,0|1,0,1]=4 89 B10R1.29 N#CCCC1CCCC1=O MC106173 [1,0,0,1,0,0|1,0,1]=4 90 B12R1.107 CC(CC(=O)O)C1CCCCC1 MC112324 [0,1,0,1,0,0|0,0,0]=2 91 B12R1.107 CC(CC(=O)O)C1CCNCC1 MC112326 [0,1,0,1,0,0|1,0,0]=3 92 B12R1.261 O=C(O)C1CCCCC1C(=O)O CS20513 [0,1,0,1,0,0|1,0,1]=4 93 B12R1.261 O=C(O)C1CCCCC1C(=O)O MC31150 [0,1,0,1,0,0|1,0,1]=4 94 B12R1.477 COC(=O)CCNC1CCCC1 CS13919 [0,1,0,1,0,0|1,0,0]=3 95 B12R1.43 NC(=O)C(N)CC1CCCCC1 MC439318 [0,1,0,1,0,0|1,0,0]=3 96 B12R1.43 NC(CC1CCCCC1)C(=O)O CS21303 [0,1,0,1,0,0|0,0,0]=2 97 B12R1.43 NC(CC1CCCCC1)C(=O)O MC436871 [0,1,0,1,0,0|0,0,0]=2 98 B12R1.43 NC(CC1CCCCC1)C(=O)O MC436872 [0,1,0,1,0,0|0,0,0]=2 99 B12R1.43 NC(CN1CCCCC1)C(=O)O MC435582 [0,1,0,1,0,0|1,0,0]=3 100 B12R1.43 NC(CN1CCCCC1)C(=O)O MC435583 [0,1,0,1,0,0|1,0,0]=3 101 B12R1.43 NC(CN1CCNCC1)C(=O)O MC435576 [0,1,0,1,0,0|2,0,0]=4 102 B12R1.43 NC(CN1CCNCC1)C(=O)O MC435577 [0,1,0,1,0,0|2,0,0]=4 103 B12R1.43 NC(CN1CCOCC1)C(=O)O MC435568 [0,1,0,1,0,0|2,0,0]=4 104 B12R1.43 NC(CN1CCOCC1)C(=O)O MC435569 [0,1,0,1,0,0|2,0,0]=4 105 B12R1.59 CCC1CCC(CCC(=O)O)C1 CS18487 [0,1,0,1,0,0|0,0,0]=2 106 B12R1.75 COC1CCCNC1CC(C)=O MC445565 [0,1,0,1,0,0|2,0,0]=4 107 B12R1.255 O=C(O)CCCCC1CCSS1 CS11282 [0,1,0,1,0,0|1,0,0]=3 108 B12R2.24 O=C1CCN2CCCCC2C1 MC107478 [0,0,0,2,0,0|2,0,0]=4 109 B12R2.24 O=C1CN2CCCCC2CN1 MC107480 [0,0,0,2,0,0|2,0,0]=4 110 B12R2.24 O=C1CNC2CCCCC2N1 MC442277 [0,0,0,2,0,0|2,0,0]=4 111 B12R2.24 O=C1CNC2CCCCC2N1 MC442278 [0,0,0,2,0,0|2,0,0]=4 112 B12R2.2918 O=C1CCC2(CCNCC2)O1 CS12147 [0,0,0,2,0,0|1,0,0]=3 113 B12R2.1365 O=C(O)C1C2CCC1CNC2 MC104720 [0,0,0,2,0,0|1,0,0]=3 114 B12R2.1387 O=C(O)C1CCC2CCC1N2 MC105547 [0,0,0,2,0,0|1,0,0]=3 115 B12R2.1392 O=C(O)C1CN2CCN1CC2 MC107810 [0,0,0,2,0,0|2,0,0]=4 116 B12R2.1392 O=C(O)C1NC2CCC1CC2 MC103507 [0,0,0,2,0,0|1,0,0]=3 117 B12R2.1392 O=C(O)C1NC2CCC1CC2 MC105533 [0,0,0,2,0,0|1,0,0]=3 118 B12R2.2028 O=C1OC(=O)C2CCCCC12 MC440504 [0,0,0,2,0,0|1,0,1]=4 119 B12R2.229 O=C1CCNCC2CCCN12 MC104229 [0,0,0,2,0,0|2,0,0]=4 120 B12R2.3066 O=C(O)C12CCCN1CCC2 MC102414 [0,0,0,2,0,0|1,0,0]=3