0 B9R0.2 CC(=O)OCCOCCCl SBB060310 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.2 CCCCCCCC(=O)Cl SBB060013 [0,0,0,0,0,0|1,0,2]=3 2 B9R0.2 CCCCCCCC(=O)O SBB060020 [0,0,0,0,0,0|1,0,2]=3 3 B9R0.2 CCCCCCCC(C)=O SBB061540 [0,0,0,0,0,0|0,0,2]=2 4 B9R0.2 CCCCCCCC(C)O SBB008521 [0,0,0,0,0,0|0,0,4]=4 5 B9R0.2 CCCCCCCC(N)=O SBB061055 [0,0,0,0,0,0|1,0,2]=3 6 B9R0.2 CCCCCCCN(C)C SBB061364 [0,0,0,0,0,0|2,0,2]=4 7 B9R0.2 CCCCCCOC(C)=O SBB060306 [0,0,0,0,0,0|1,0,2]=3 8 B9R0.2 CCCCSCCC(=O)O SBB001705 [0,0,0,0,0,0|2,0,2]=4 9 B9R0.2 COCCNCCC(N)=O SBB116772 [0,0,0,0,0,0|3,0,1]=4 10 B9R0.2 NCCCCCCC(=O)O SBB072673 [0,0,0,0,0,0|2,0,1]=3 11 B9R0.2 O=C(O)CCCCCCO SBB059715 [0,0,0,0,0,0|2,0,1]=3 12 B8R0.4 C=CCCCCCCC SBB060474 [1,0,0,0,0,0|0,0,1]=2 13 B8R0.4 CCCCCCCC#N SBB060053 [1,0,0,0,0,0|1,0,2]=4 14 B8R0.4 CCCCCCCC=O SBB059871 [1,0,0,0,0,0|0,0,2]=3 15 B8R0.4 CCCCCCCCBr SBB059937 [1,0,0,0,0,0|1,0,2]=4 16 B8R0.4 CCCCCCCCCl SBB059955 [1,0,0,0,0,0|1,0,2]=4 17 B8R0.4 CCCCCCCCN SBB059986 [1,0,0,0,0,0|1,0,2]=4 18 B8R0.4 CCCCCCCCO SBB059902 [1,0,0,0,0,0|1,0,2]=4 19 B8R0.4 CCCCCCCNC SBB059820 [1,0,0,0,0,0|1,0,2]=4 20 B8R0.4 CCCCCCNC=O SBB061175 [1,0,0,0,0,0|1,0,2]=4 21 B8R0.4 CCCCCCOC=O SBB060302 [1,0,0,0,0,0|1,0,2]=4 22 B8R0.7 C#CCCCCC(=O)O SBB008797 [1,0,0,0,0,0|1,0,2]=4 23 B8R0.7 C=C(C)CSCCCC SBB061593 [1,0,0,0,0,0|2,0,1]=4 24 B8R0.7 C=CCNCCC(N)=O SBB116743 [1,0,0,0,0,0|2,0,0]=3 25 B8R0.7 CC(=O)CCCOC=O SBB001557 [1,0,0,0,0,0|2,0,0]=3 26 B8R0.7 CC(=O)OCCCCCl SBB059334 [1,0,0,0,0,0|2,0,0]=3 27 B8R0.7 CC(C)CCCCCBr SBB054753 [1,0,0,0,0,0|2,0,1]=4 28 B8R0.7 CCCCCCC(=O)Cl SBB060012 [1,0,0,0,0,0|1,0,1]=3 29 B8R0.7 CCCCCCC(=O)O SBB053587 [1,0,0,0,0,0|1,0,1]=3 30 B8R0.7 CCCCCCC(C)=O SBB060387 [1,0,0,0,0,0|0,0,1]=2 31 B8R0.7 CCCCCCC(C)Br SBB060198 [1,0,0,0,0,0|1,0,2]=4 32 B8R0.7 CCCCCCC(C)N SBB028238 [1,0,0,0,0,0|1,0,2]=4 33 B8R0.7 CCCCCCC(C)O SBB059903 [1,0,0,0,0,0|0,0,3]=4 34 B8R0.7 CCCCCCN(C)C SBB059990 [1,0,0,0,0,0|2,0,1]=4 35 B8R0.7 CCCCCOC(C)=O SBB060027 [1,0,0,0,0,0|1,0,1]=3 36 B8R0.7 CCCCSCC(=O)O SBB061205 [1,0,0,0,0,0|2,0,1]=4 37 B8R0.7 CCCNCCC(N)=O SBB116773 [1,0,0,0,0,0|2,0,1]=4 38 B8R0.7 CCOCCOC(C)=O SBB061000 [1,0,0,0,0,0|2,0,1]=4 39 B8R0.7 CN(C)CCCCCN SBB008565 [1,0,0,0,0,0|3,0,0]=4 40 B8R0.7 NC(=O)CCNCCO SBB116776 [1,0,0,0,0,0|3,0,0]=4 41 B8R0.7 NCCCCCC(=O)O SBB015068 [1,0,0,0,0,0|2,0,0]=3 42 B8R0.7 O=C(O)CCCCCBr SBB065783 [1,0,0,0,0,0|2,0,0]=3 43 B8R0.7 O=C(O)CCNCCO SBB079386 [1,0,0,0,0,0|3,0,0]=4 44 B10R0.3 C=C(C)CCCC(C)CC=O SBB060466 [0,1,0,0,0,0|2,0,0]=3 45 B10R0.3 CC(C)=CCCC(C)CC=O SBB068490 [0,1,0,0,0,0|2,0,1]=4 46 B10R0.3 CC(C)CCCC(C)CC=O SBB060756 [0,1,0,0,0,0|2,0,1]=4 47 B10R0.3 CCCC(S)CCOC(C)=O SBB056433 [0,1,0,0,0,0|1,0,2]=4 48 B10R0.4 CCCCCCCCC(=O)Cl SBB060014 [0,1,0,0,0,0|1,0,2]=4 49 B10R0.4 CCCCCCCCC(=O)O SBB058693 [0,1,0,0,0,0|1,0,2]=4 50 B10R0.4 CCCCCCCCC(N)=O SBB061053 [0,1,0,0,0,0|1,0,2]=4 51 B10R0.4 CCCCCCCOC(C)=O SBB060307 [0,1,0,0,0,0|0,0,2]=3 52 B10R0.4 CCCCOCCOC(C)=O SBB061001 [0,1,0,0,0,0|1,0,2]=4 53 B10R0.4 OC(=O)CCCCCCCN SBB006735 [0,1,0,0,0,0|1,0,2]=4 54 B10R0.74 CCCCCCCC(=O)NN SBB056838 [0,1,0,0,0,0|1,0,2]=4 55 B10R0.74 CCCCCCCC(=O)OC SBB060592 [0,1,0,0,0,0|0,0,2]=3 56 B10R0.74 CCCCCCCC(C)C=O SBB061221 [0,1,0,0,0,0|0,0,3]=4 57 B10R0.74 CCCCCCNC(=O)CCl SBB017392 [0,1,0,0,0,0|1,0,2]=4 58 B10R0.74 CCCCCCOC(=O)CCl SBB061569 [0,1,0,0,0,0|1,0,2]=4 59 B10R0.74 CCCCCCOC(=O)CS SBB061229 [0,1,0,0,0,0|1,0,2]=4 60 B10R0.75 CCCCCCC(N)C(=O)O SBB058628 [0,1,0,0,0,0|1,0,2]=4 61 B10R0.78 CCCCC(C)CCC(=O)O SBB065822 [0,1,0,0,0,0|1,0,2]=4 62 B10R0.97 CC(=O)OCCCOC(C)=O SBB008022 [0,1,0,0,0,0|2,0,1]=4 63 B10R0.97 O=C(O)CCCCCC(=O)O SBB007898 [0,1,0,0,0,0|2,0,0]=3 64 B10R0.97 O=C(O)CCSCCC(=O)O SBB057445 [0,1,0,0,0,0|3,0,0]=4 65 B10R1.18 CC(=O)CN1CCCCC1 SBB046418 [0,0,0,1,0,0|1,0,2]=4 66 B10R1.18 CC(=O)NC1CCCCC1 SBB058211 [0,0,0,1,0,0|1,0,2]=4 67 B10R1.18 CC(=O)NC1CCCNC1 SBB047941 [0,0,0,1,0,0|2,0,1]=4 68 B10R1.18 CC(=O)OC1CCCCC1 SBB060309 [0,0,0,1,0,0|1,0,2]=4 69 B10R1.18 O=C(O)CC1=CCCCC1 SBB008386 [0,0,0,1,0,0|1,0,2]=4 70 B10R1.18 O=C(O)CC1CCCCC1 SBB058720 [0,0,0,1,0,0|1,0,2]=4 71 B10R1.18 O=C(O)CC1CCCCN1 SBB010294 [0,0,0,1,0,0|2,0,1]=4 72 B10R1.18 O=C(O)CC1CCCCO1 SBB002787 [0,0,0,1,0,0|2,0,1]=4 73 B10R1.18 O=C(O)CC1CCCOC1 SBB027192 [0,0,0,1,0,0|2,0,1]=4 74 B10R1.61 CC(=O)C1CCCCC1=O SBB056190 [0,0,0,1,0,0|1,0,0]=2 75 B10R1.61 CN1CCCCC1C(=O)O SBB018690 [0,0,0,1,0,0|2,0,1]=4 76 B10R1.61 O=C(O)C1CCCNC1=O SBB108817 [0,0,0,1,0,0|3,0,0]=4 77 B10R1.64 CC(=O)NC1CCSC1=O SBB056942 [0,0,0,1,0,0|3,0,0]=4 78 B10R1.64 NC(=O)CN1CCCC1=O SBB086233 [0,0,0,1,0,0|3,0,0]=4 79 B10R1.64 O=C(O)CN1CCCC1=O SBB010292 [0,0,0,1,0,0|3,0,0]=4 80 B10R1.66 CC(=O)CCC1CCCO1 SBB017110 [0,0,0,1,0,0|1,0,1]=3 81 B10R1.66 CC(=O)CCN1C=CC=N1 SBB047979 [0,0,0,1,0,0|2,0,1]=4 82 B10R1.66 O=C(Cl)CCC1CCCC1 SBB058619 [0,0,0,1,0,0|1,0,2]=4 83 B10R1.66 O=C(O)CCC1CCCC1 SBB040565 [0,0,0,1,0,0|1,0,2]=4 84 B10R1.66 O=C(O)CCC1CCCO1 SBB014220 [0,0,0,1,0,0|2,0,1]=4 85 B10R1.78 O=C1CCCCCCCN1 SBB058438 [0,0,0,1,0,0|1,0,2]=4 86 B10R1.348 O=C(O)C1CCCCCC1 SBB008467 [0,0,0,1,0,0|1,0,2]=4 87 B7R0.1 C=CCCCCCC SBB059884 [2,0,0,0,0,0|0,0,0]=2 88 B7R0.1 C=CCSCCCC SBB058522 [2,0,0,0,0,0|1,0,0]=3 89 B7R0.1 CCCCCCC#N SBB060052 [2,0,0,0,0,0|1,0,1]=4 90 B7R0.1 CCCCCCCBr SBB059936 [2,0,0,0,0,0|1,0,1]=4 91 B7R0.1 CCCCCCCCl SBB059954 [2,0,0,0,0,0|1,0,1]=4 92 B7R0.1 CCCCCCCN SBB059985 [2,0,0,0,0,0|1,0,1]=4 93 B7R0.1 CCCCCCOC SBB061157 [2,0,0,0,0,0|1,0,1]=4 94 B7R0.1 CCCCCOC=O SBB060301 [2,0,0,0,0,0|1,0,1]=4 95 B7R0.1 C\C=C\CCCCC SBB059885 [2,0,0,0,0,0|0,0,2]=4 96 B7R0.4 CCCCCC(=O)Cl SBB060011 [2,0,0,0,0,0|1,0,0]=3 97 B7R0.4 CCCCCC(=O)O SBB053586 [2,0,0,0,0,0|1,0,0]=3 98 B7R0.4 CCCCCC(C)=O SBB061125 [2,0,0,0,0,0|0,0,0]=2 99 B7R0.4 CCCCCC(N)=O SBB061056 [2,0,0,0,0,0|1,0,0]=3 100 B7R0.4 CCCCOC(N)=O SBB060819 [2,0,0,0,0,0|2,0,0]=4 101 B7R0.4 CCOCCC(=O)O SBB053607 [2,0,0,0,0,0|2,0,0]=4 102 B7R0.4 COCCOC(C)=O SBB060999 [2,0,0,0,0,0|2,0,0]=4 103 B7R0.4 NCCCCC(=O)O SBB061559 [2,0,0,0,0,0|2,0,0]=4 104 B7R0.4 O=C(O)CCCCBr SBB061343 [2,0,0,0,0,0|2,0,0]=4 105 B7R0.4 O=C(O)CCCCCl SBB061215 [2,0,0,0,0,0|2,0,0]=4 106 B9R0.5 C=CCOCC(O)CNC SBB027842 [1,1,0,0,0,0|2,0,0]=4 107 B9R0.45 C(=O)\C=C\CCCCCC SBB006609 [1,1,0,0,0,0|0,0,2]=4 108 B9R0.45 C=CCCCCCCCC SBB058674 [1,1,0,0,0,0|0,0,1]=3 109 B9R0.45 CCCCCCCCC=O SBB059872 [1,1,0,0,0,0|0,0,2]=4 110 B9R0.45 CCCCCCCOC=O SBB060303 [1,1,0,0,0,0|0,0,2]=4 111 B9R0.47 NCCCC[C@@H](N)C(=O)O SBB003731 [1,1,0,0,0,0|2,0,0]=4 112 B9R0.47 NCCCC[C@@H](N)C(=O)O SBB062859 [1,1,0,0,0,0|2,0,0]=4 113 B9R0.47 NCCCC[C@H](N)C(=O)O SBB062982 [1,1,0,0,0,0|2,0,0]=4 114 B9R0.48 CCCC(=O)CCC(C)=O SBB008161 [1,1,0,0,0,0|0,0,2]=4 115 B9R0.55 CC(=O)CCCCC(=O)O SBB068339 [1,1,0,0,0,0|1,0,0]=3 116 B9R0.55 CC(=O)CCCOC(C)=O SBB001556 [1,1,0,0,0,0|1,0,1]=4 117 B9R0.55 CC(=O)NCCCC(=O)O SBB028464 [1,1,0,0,0,0|2,0,0]=4 118 B9R0.55 CC(C)CCCCC(=O)O SBB065917 [1,1,0,0,0,0|1,0,1]=4 119 B9R0.55 NC(=O)CCCCC(N)=O SBB040916 [1,1,0,0,0,0|2,0,0]=4 120 B9R0.55 O=C(Cl)CCCCC(=O)Cl SBB058892 [1,1,0,0,0,0|2,0,0]=4 121 B9R0.55 O=C(O)CCCCC(=O)O SBB040846 [1,1,0,0,0,0|2,0,0]=4 122 B11R0.30 CC(=O)NCCCCCC(=O)O SBB065849 [0,2,0,0,0,0|1,0,0]=3 123 B11R0.30 CC(=O)OCCCCOC(C)=O SBB008237 [0,2,0,0,0,0|1,0,1]=4 124 B11R0.30 O=C(O)CCCCCCC(=O)O SBB060278 [0,2,0,0,0,0|1,0,1]=4 125 B11R0.40 CCCCCCCCC(=O)OC SBB060593 [0,2,0,0,0,0|0,0,2]=4 126 B11R0.40 CCCCCCCOC(=O)CC SBB060313 [0,2,0,0,0,0|0,0,2]=4 127 B11R0.40 CCCCCCCOC(=O)CCl SBB061233 [0,2,0,0,0,0|0,0,2]=4 128 B11R0.40 CCCCCCCOC(=O)CS SBB057443 [0,2,0,0,0,0|0,0,2]=4 129 B11R0.42 CCCCCCCC(=O)N(C)C SBB007989 [0,2,0,0,0,0|0,0,2]=4 130 B11R0.148 CCCCCCCCCC(C)=O SBB060389 [0,2,0,0,0,0|0,0,2]=4 131 B11R0.148 CCCCCCCCOC(C)=O SBB060585 [0,2,0,0,0,0|0,0,2]=4 132 B11R0.4 CCCCCCCC(=O)OCC SBB061059 [0,2,0,0,0,0|0,0,2]=4 133 B9R1.5 CN1CCCCCC1=O SBB056535 [1,0,0,1,0,0|1,0,1]=4 134 B9R1.5 O=C1CCCCCN1Br SBB057855 [1,0,0,1,0,0|2,0,0]=4 135 B9R1.15 O=C1CCCCC1CO SBB054864 [1,0,0,1,0,0|1,0,1]=4 136 B9R1.50 O=C1CCCCCCC1 SBB008888 [1,0,0,1,0,0|0,0,2]=4 137 B9R1.89 O=CC1CCCCCC1 SBB059644 [1,0,0,1,0,0|0,0,2]=4 138 B9R1.2 CCN1CCCC(=O)C1 SBB056089 [1,0,0,1,0,0|1,0,1]=4 139 B9R1.2 O=C1CCCC(CO)C1 SBB054862 [1,0,0,1,0,0|1,0,0]=3 140 B9R1.6 CC(=O)C1CCOCC1 SBB055952 [1,0,0,1,0,0|1,0,1]=4 141 B9R1.6 NC(=O)C1CCCCC1 SBB008414 [1,0,0,1,0,0|1,0,1]=4 142 B9R1.6 NC(=O)C1CCCCN1 SBB085724 [1,0,0,1,0,0|2,0,0]=4 143 B9R1.6 O=C(Cl)C1CCCCC1 SBB040626 [1,0,0,1,0,0|1,0,1]=4 144 B9R1.6 O=C(O)C1CCCCC1 SBB008550 [1,0,0,1,0,0|1,0,1]=4 145 B9R1.6 O=C(O)C1CCCCO1 SBB027215 [1,0,0,1,0,0|2,0,0]=4 146 B9R1.6 O=C(O)[C@@H]1CCCCN1 SBB006732 [1,0,0,1,0,0|2,0,0]=4 147 B9R1.6 OC(=O)C1=CCCCC1 SBB006589 [1,0,0,1,0,0|1,0,1]=4 148 B9R1.13 CC(=O)CC1CCCC1 SBB008343 [1,0,0,1,0,0|0,0,1]=3 149 B9R1.13 CC(=O)OC1CCCC1 SBB060737 [1,0,0,1,0,0|1,0,1]=4 150 B9R1.13 O=C(Cl)CC1CCCC1 SBB116687 [1,0,0,1,0,0|1,0,1]=4 151 B9R1.13 O=C(O)CC1CCCC1 SBB080711 [1,0,0,1,0,0|1,0,1]=4 152 B9R1.13 O=C(O)CC1CCCO1 SBB002788 [1,0,0,1,0,0|2,0,0]=4 153 B9R1.13 O=C(O)C[C@@H]1CCCN1 SBB066746 [1,0,0,1,0,0|2,0,0]=4 154 B9R1.41 CC(=O)C1CCOC1=O SBB040834 [1,0,0,1,0,0|2,0,0]=4 155 B9R1.41 CC(=O)N1CCCC1=O SBB007922 [1,0,0,1,0,0|2,0,0]=4 156 B9R1.48 O=C1CCCCC(=O)C1 SBB056238 [1,0,0,1,0,0|1,0,0]=3 157 B9R1.84 O=C(O)CCC1CCC1 SBB072391 [1,0,0,1,0,0|1,0,1]=4 158 B11R1.90 O=C(O)CCC1CCOC1=O SBB051506 [0,1,0,1,0,0|2,0,0]=4 159 B11R1.90 O=C(O)CCN1CCCC1=O SBB046364 [0,1,0,1,0,0|2,0,0]=4 160 B11R1.86 CC(=O)CN1CCCCC1C SBB046421 [0,1,0,1,0,0|0,0,2]=4 161 B11R1.86 CC(=O)NC1CCCC[C@H]1Cl SBB056532 [0,1,0,1,0,0|1,0,1]=4 162 B11R1.143 CC(=O)N1CCCCCC1=O SBB008053 [0,1,0,1,0,0|1,0,0]=3 163 B11R1.193 C=CCN1CCCC1C(=O)O SBB046628 [0,1,0,1,0,0|1,0,0]=3 164 B11R1.213 C=CCNC1CCS(=O)(=O)C1 SBB010585 [0,1,0,1,0,0|2,0,0]=4 165 B11R1.75 O=C(O)CCC1CCC(=O)N1 SBB301699 [0,1,0,1,0,0|2,0,0]=4 166 B11R1.1 CCCCC1CCC(=O)CC1 SBB059680 [0,1,0,1,0,0|0,0,2]=4 167 B11R1.222 CCC(=O)C1CCCCC1=O SBB056586 [0,1,0,1,0,0|1,0,0]=3 168 B11R1.222 COC(=O)C1CCCNC1=O SBB001919 [0,1,0,1,0,0|2,0,0]=4 169 B11R1.222 COC(=O)C1CNCCC1=O SBB003611 [0,1,0,1,0,0|2,0,0]=4 170 B11R1.178 CC(=O)N1CCCC1C(=O)O SBB005365 [0,1,0,1,0,0|2,0,0]=4 171 B11R1.178 O=C(O)[C@@H]1CCC[C@H]1C(=O)O SBB065858 [0,1,0,1,0,0|2,0,0]=4 172 B11R2.106 O=C1CCNC2CCCC12 SBB002318 [0,0,0,2,0,0|1,0,1]=4 173 B11R2.845 CC(=O)C1CC2C=CC1C2 SBB001629 [0,0,0,2,0,0|0,0,0]=2 174 B11R2.845 O=C(Cl)C1CC2C=CC1C2 SBB010381 [0,0,0,2,0,0|1,0,0]=3 175 B11R2.845 O=C(O)C1CC2C=CC1C2 SBB008175 [0,0,0,2,0,0|1,0,0]=3 176 B11R2.533 C=C1CCC2CC1C2(C)C SBB061306 [0,0,0,2,0,0|1,0,1]=4 177 B11R2.432 CN1C2CCC1CC(=O)C2 SBB006924 [0,0,0,2,0,0|1,0,1]=4 178 B11R2.432 [C@H]12CC[C@H](CC(=O)C1)N2C SBB056389 [0,0,0,2,0,0|1,0,1]=4