0 B10R0.4 CCCCCCCCB(O)O SBB071319 [1,0,0,0,0,0|1,0,1]=3 1 B10R0.4 CCCCCCCCC(=O)Cl SBB060014 [1,0,0,0,0,0|1,0,0]=2 2 B10R0.4 CCCCCCCCC(=O)O SBB058693 [1,0,0,0,0,0|0,0,0]=1 3 B10R0.4 CCCCCCCCC(N)=O SBB061053 [1,0,0,0,0,0|1,0,0]=2 4 B10R0.4 CCCCCCCCN(C)C SBB059991 [1,0,0,0,0,0|3,0,0]=4 5 B10R0.4 CCCCCCCNC(N)=S SBB017692 [1,0,0,0,0,0|2,1,0]=4 6 B10R0.4 CCCCCCCOC(C)=O SBB060307 [1,0,0,0,0,0|2,0,0]=3 7 B10R0.4 CCCCCCNCC(C)O SBB059797 [1,0,0,0,0,0|2,0,1]=4 8 B10R0.4 CCCCOCCOC(C)=O SBB061001 [1,0,0,0,0,0|3,0,0]=4 9 B10R0.4 OC(=O)CCCCCCCN SBB006735 [1,0,0,0,0,0|1,0,0]=2 10 B10R0.4 [NH2+]=C(N)SCCCCCCC SBB056871 [1,0,0,0,0,0|3,0,0]=4 11 B10R0.78 CCCCC(C)CCC(=O)O SBB065822 [1,0,0,0,0,0|0,0,0]=1 12 B12R1.1 CCCCCC1CCC(=O)CC1 SBB059350 [0,0,0,1,0,0|1,0,0]=2 13 B12R1.54 CC(CCC(=O)O)N1CCCC1 SBB301863 [0,0,0,1,0,0|1,0,0]=2 14 B12R1.54 O=C(O)CCC(=O)N1CCCC1 SBB048140 [0,0,0,1,0,0|2,0,1]=4 15 B12R1.210 O=C(O)CN1CCCCCC1=O SBB045206 [0,0,0,1,0,0|2,0,1]=4 16 B12R1.226 CC(O)CNC1CCCC(C)C1 SBB017969 [0,0,0,1,0,0|2,0,1]=4 17 B12R1.226 CC1CCCN(CCC(=O)O)C1 SBB010524 [0,0,0,1,0,0|1,0,0]=2 18 B12R1.528 CCCCOC1CCS(=O)(=O)C1 SBB041316 [0,0,0,1,0,0|2,0,1]=4 19 B12R1.1009 CC1CCCC(C)N1CC(=O)O SBB050882 [0,0,0,1,0,0|1,0,0]=2 20 B12R1.1343 O=C(O)CCN1CCCCCC1 SBB010525 [0,0,0,1,0,0|1,0,0]=2 21 B12R1.1343 O=C(O)CNC1CCCCCC1 SBB046505 [0,0,0,1,0,0|1,0,0]=2 22 B12R1.3110 O=C(O)C#CC1(O)CCCCC1 SBB013587 [0,0,0,1,0,0|1,0,2]=4 23 B9R0.2 CCCCCCCC(=O)Cl SBB060013 [2,0,0,0,0,0|1,0,0]=3 24 B9R0.2 CCCCCCCC(=O)O SBB060020 [2,0,0,0,0,0|0,0,0]=2 25 B9R0.2 CCCCCCCC(C)=O SBB061540 [2,0,0,0,0,0|1,0,0]=3 26 B9R0.2 CCCCCCCC(C)O SBB008521 [2,0,0,0,0,0|1,0,1]=4 27 B9R0.2 CCCCCCCC(N)=O SBB061055 [2,0,0,0,0,0|1,0,0]=3 28 B9R0.2 CCCCCCOC(C)=O SBB060306 [2,0,0,0,0,0|2,0,0]=4 29 B9R0.2 CCCCSCCC(=O)O SBB001705 [2,0,0,0,0,0|1,0,0]=3 30 B9R0.2 NCCCCCCC(=O)O SBB072673 [2,0,0,0,0,0|1,0,0]=3 31 B9R0.2 O=C(O)CCCCCCO SBB059715 [2,0,0,0,0,0|1,0,0]=3 32 B9R0.45 C#CCCCCCCCC SBB008883 [2,0,0,0,0,0|1,0,1]=4 33 B9R0.45 C(=O)\C=C\CCCCCC SBB006609 [2,0,0,0,0,0|0,0,2]=4 34 B9R0.45 C=CCCCCCCCC SBB058674 [2,0,0,0,0,0|1,0,0]=3 35 B9R0.45 CCCCCCCCC=O SBB059872 [2,0,0,0,0,0|0,0,0]=2 36 B9R0.45 CCCCCCCCCBr SBB059939 [2,0,0,0,0,0|1,0,1]=4 37 B9R0.45 CCCCCCCCCCl SBB059956 [2,0,0,0,0,0|1,0,1]=4 38 B9R0.45 CCCCCCCCCN SBB059987 [2,0,0,0,0,0|1,0,1]=4 39 B9R0.45 CCCCCCCCCO SBB059907 [2,0,0,0,0,0|0,0,1]=3 40 B9R0.45 CCCCCCCCOC SBB061156 [2,0,0,0,0,0|2,0,0]=4 41 B9R0.45 CCCCCCCOC=O SBB060303 [2,0,0,0,0,0|1,0,0]=3 42 B9R0.45 CCCCCCNCCO SBB007879 [2,0,0,0,0,0|1,0,1]=4 43 B9R0.45 CCCCCCOCCO SBB060173 [2,0,0,0,0,0|1,0,1]=4 44 B9R0.45 CCCCCCSCCO SBB060444 [2,0,0,0,0,0|1,0,1]=4 45 B9R0.45 OCCCCCCCCO SBB060739 [2,0,0,0,0,0|1,0,1]=4 46 B11R0.30 CC(=O)NCCCCCC(=O)O SBB065849 [1,1,0,0,0,0|1,0,1]=4 47 B11R0.30 CC(C)CCCCCCC(=O)O SBB088692 [1,1,0,0,0,0|0,0,0]=2 48 B11R0.30 O=C(O)CCCCCCC(=O)O SBB060278 [1,1,0,0,0,0|1,0,1]=4 49 B11R0.40 C=CS(=O)CCCCCCCC SBB013614 [1,1,0,0,0,0|2,0,0]=4 50 B11R0.40 CCCCCCC#CC(=O)OC SBB088197 [1,1,0,0,0,0|0,0,2]=4 51 B11R0.40 CCCCCCCCC(=O)NN SBB030320 [1,1,0,0,0,0|1,0,0]=3 52 B11R0.40 CCCCCCCCC(=O)OC SBB060593 [1,1,0,0,0,0|0,0,0]=2 53 B11R0.40 CCCCCCCOC(=O)CC SBB060313 [1,1,0,0,0,0|2,0,0]=4 54 B11R0.40 CCCCCCCOC(=O)CCl SBB061233 [1,1,0,0,0,0|2,0,0]=4 55 B11R0.40 CCCCCCCOC(=O)CS SBB057443 [1,1,0,0,0,0|1,1,0]=4 56 B11R0.148 CCCCCCCCCC(=O)Cl SBB060015 [1,1,0,0,0,0|1,0,0]=3 57 B11R0.148 CCCCCCCCCC(=O)O SBB060022 [1,1,0,0,0,0|0,0,0]=2 58 B11R0.148 CCCCCCCCCC(C)=O SBB060389 [1,1,0,0,0,0|1,0,0]=3 59 B11R0.148 CCCCCCCCCC(N)=O SBB061052 [1,1,0,0,0,0|1,0,0]=3 60 B11R0.148 CCCCCCCCOC(C)=O SBB060585 [1,1,0,0,0,0|1,0,0]=3 61 B11R0.148 CCCCSCCCCC(=O)O SBB019267 [1,1,0,0,0,0|0,0,0]=2 62 B11R0.176 CCOC(=O)CCCCC(=O)O SBB065980 [1,1,0,0,0,0|1,0,1]=4 63 B11R0.164 CCCCC(CC)CCC(=O)O SBB067105 [1,1,0,0,0,0|0,0,0]=2 64 B11R0.164 CCCCC(CC)COC(C)=O SBB060584 [1,1,0,0,0,0|2,0,0]=4 65 B11R0.81 CCCCCCC(C)OCCO SBB061589 [1,1,0,0,0,0|1,0,1]=4 66 B11R0.6 OC(=O)CC(C)CCC=C(C)C SBB006596 [0,1,0,0,1,0|0,0,2]=4 67 B11R1.86 CC(=O)CN1CCCCC1C SBB046421 [1,0,0,1,0,0|2,0,0]=4 68 B11R1.86 CC1CCCCN1CC(=O)O SBB046596 [1,0,0,1,0,0|1,0,0]=3 69 B11R1.86 CN1CCCCC1CC(=O)O SBB010391 [1,0,0,1,0,0|1,0,0]=3 70 B11R1.91 O=C(Cl)CCC1CCCCC1 SBB005478 [1,0,0,1,0,0|1,0,0]=3 71 B11R1.91 O=C(O)CCC1CCCCN1 SBB018825 [1,0,0,1,0,0|1,0,0]=3 72 B11R1.91 O=C(O)CCC1CCCNC1 SBB014718 [1,0,0,1,0,0|1,0,0]=3 73 B11R1.91 O=C(O)CCN1CCNCC1 SBB010190 [1,0,0,1,0,0|2,0,0]=4 74 B11R1.91 O=C(O)CCN1CCOCC1 SBB010411 [1,0,0,1,0,0|2,0,0]=4 75 B11R1.91 O=C(O)CCN1CCOCC1 SBB091930 [1,0,0,1,0,0|2,0,0]=4 76 B11R1.99 CCCCCCCCC1CO1 SBB017139 [1,0,0,1,0,0|1,0,1]=4 77 B11R1.172 O=C(O)CCCN1CCCC1 SBB077224 [1,0,0,1,0,0|1,0,0]=3 78 B11R1.172 O=C(O)COCC1CCCO1 SBB010420 [1,0,0,1,0,0|2,0,0]=4 79 B11R1.742 O=C(O)CN1CCCCCC1 SBB010389 [1,0,0,1,0,0|1,0,0]=3 80 B11R1.1 CCCCC1CCC(=O)CC1 SBB059680 [1,0,0,1,0,0|1,0,0]=3 81 B11R1.1 CCCCN1CCC(=O)CC1 SBB087084 [1,0,0,1,0,0|2,0,0]=4 82 B11R1.1 [C@H]1(O)CC[C@H](CCCC)CC1 SBB059708 [1,0,0,1,0,0|1,0,1]=4 83 B11R1.77 CN(CC(=O)O)C1CCCC1 SBB303285 [0,0,0,1,1,0|1,0,0]=3 84 B11R1.157 CC(=O)CN1CCCC(C)C1 SBB046420 [0,0,0,1,1,0|2,0,0]=4 85 B11R1.157 CC1CCCN(CC(=O)O)C1 SBB010390 [0,0,0,1,1,0|1,0,0]=3 86 B11R1.928 O=C(O)CC1(O)CCCCC1 SBB300165 [0,0,0,1,1,0|1,0,0]=3 87 B13R1.1988 O=C(O)CCCN1CCCCCC1 SBB077232 [0,0,0,1,0,1|1,0,0]=3 88 B13R1.3787 CC1CCCC(C)N1CCC(=O)O SBB046515 [0,0,0,1,0,1|0,0,0]=2 89 B13R1.45 O=C(O)CCC(=O)N1CCCCC1 SBB048141 [0,1,0,1,0,0|1,0,1]=4 90 B13R1.3 CCN1CCN(CCC(=O)O)CC1 SBB048773 [0,1,0,1,0,0|2,0,0]=4 91 B13R1.1711 COC(=O)CCN1CCCCCC1 SBB046517 [0,1,0,1,0,0|1,0,0]=3 92 B13R1.344 CC(O)CCC(C)CC1CCCO1 SBB017122 [0,1,0,1,0,0|1,0,1]=4 93 B13R1.344 O=C(O)CCC(=O)NC1CCCC1 SBB051099 [0,1,0,1,0,0|1,0,1]=4 94 B13R1.3420 CC1CN(CCC(=O)O)CC(C)O1 SBB010756 [0,1,0,1,0,0|2,0,0]=4 95 B13R2.371 CN1CCC(=O)C2CCCCC21 SBB002323 [0,0,0,2,0,0|2,0,0]=4 96 B13R2.5016 CC12CCC(=O)N1CCCCN2 SBB010499 [0,0,0,2,0,0|2,0,0]=4 97 B9R0.4 COCCN(C)CC(=O)O SBB046598 [1,0,0,0,1,0|2,0,0]=4 98 B9R0.47 NCCCC[C@@H](N)C(=O)O SBB003731 [0,0,0,0,2,0|2,0,0]=4 99 B9R0.47 NCCCC[C@@H](N)C(=O)O SBB062859 [0,0,0,0,2,0|2,0,0]=4 100 B9R0.47 NCCCC[C@H](N)C(=O)O SBB062982 [0,0,0,0,2,0|2,0,0]=4