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 CCCCCCNC(N)=S SBB028342 [0,0,0,0,0,0|2,1,1]=4 8 B9R0.2 CCCCCCOC(C)=O SBB060306 [0,0,0,0,0,0|1,0,1]=2 9 B9R0.2 CCCCSCCC(=O)O SBB001705 [0,0,0,0,0,0|2,0,2]=4 10 B9R0.2 NCCCCCCC(=O)O SBB072673 [0,0,0,0,0,0|2,0,2]=4 11 B9R0.2 O=C(O)CCCCCCO SBB059715 [0,0,0,0,0,0|2,0,2]=4 12 B9R0.2 [NH2+]=C(N)SCCCCCC SBB060417 [0,0,0,0,0,0|3,0,1]=4 13 B8R0.4 C=CCCCCCCC SBB060474 [1,0,0,0,0,0|0,0,3]=4 14 B8R0.4 CCCCCCCC=O SBB059871 [1,0,0,0,0,0|0,0,2]=3 15 B8R0.4 CCCCCCCNC SBB059820 [1,0,0,0,0,0|1,0,2]=4 16 B8R0.4 CCCCCCN=C=O SBB058614 [1,0,0,0,0,0|1,0,2]=4 17 B8R0.4 CCCCCCNC=O SBB061175 [1,0,0,0,0,0|1,0,1]=3 18 B8R0.4 CCCCCCOC=O SBB060302 [1,0,0,0,0,0|1,0,1]=3 19 B8R0.4 CCCCCCSCC SBB061179 [1,0,0,0,0,0|1,0,2]=4 20 B8R0.4 CCCCC\C=C\C=O SBB068337 [1,0,0,0,0,0|0,0,0]=1 21 B8R0.4 C\C=C\CSCCCC SBB061594 [1,0,0,0,0,0|1,0,1]=3 22 B8R0.7 C=C(C)CSCCCC SBB061593 [1,0,0,0,0,0|2,0,1]=4 23 B8R0.7 CC(=O)OCCCCCl SBB059334 [1,0,0,0,0,0|2,0,0]=3 24 B8R0.7 CCCCCCC(=O)Cl SBB060012 [1,0,0,0,0,0|1,0,1]=3 25 B8R0.7 CCCCCCC(=O)O SBB053587 [1,0,0,0,0,0|1,0,1]=3 26 B8R0.7 CCCCCCC(C)=O SBB060387 [1,0,0,0,0,0|0,0,1]=2 27 B8R0.7 CCCCCCC(C)Br SBB060198 [1,0,0,0,0,0|1,0,2]=4 28 B8R0.7 CCCCCCC(C)N SBB028238 [1,0,0,0,0,0|1,0,2]=4 29 B8R0.7 CCCCCCC(C)O SBB059903 [1,0,0,0,0,0|0,0,3]=4 30 B8R0.7 CCCCCCN(C)C SBB059990 [1,0,0,0,0,0|2,0,1]=4 31 B8R0.7 CCCCCOC(C)=O SBB060027 [1,0,0,0,0,0|1,0,0]=2 32 B8R0.7 CCCCSCC(=O)O SBB061205 [1,0,0,0,0,0|2,0,1]=4 33 B8R0.7 CCCNCCC(N)=O SBB116773 [1,0,0,0,0,0|2,0,1]=4 34 B8R0.7 CCOCCOC(C)=O SBB061000 [1,0,0,0,0,0|2,0,0]=3 35 B8R0.7 NCCCCCC(=O)O SBB015068 [1,0,0,0,0,0|2,0,1]=4 36 B8R0.7 O=C(O)CCCCCBr SBB065783 [1,0,0,0,0,0|2,0,1]=4 37 B10R0.3 CC(C)=CCCC(C)CCO SBB012357 [0,1,0,0,0,0|2,0,1]=4 38 B10R0.3 CCCC(S)CCOC(C)=O SBB056433 [0,1,0,0,0,0|1,0,1]=3 39 B10R0.4 CCCCCCCCC(=O)Cl SBB060014 [0,1,0,0,0,0|1,0,2]=4 40 B10R0.4 CCCCCCCCC(=O)O SBB058693 [0,1,0,0,0,0|1,0,2]=4 41 B10R0.4 CCCCCCCCC(N)=O SBB061053 [0,1,0,0,0,0|1,0,2]=4 42 B10R0.4 CCCCCCCOC(C)=O SBB060307 [0,1,0,0,0,0|0,0,2]=3 43 B10R0.4 CCCCOCCOC(C)=O SBB061001 [0,1,0,0,0,0|1,0,1]=3 44 B10R0.4 OC(=O)CCCCCCCN SBB006735 [0,1,0,0,0,0|1,0,2]=4 45 B10R0.6 COCCOC(=O)CC(C)=O SBB061715 [0,1,0,0,0,0|2,0,1]=4 46 B10R0.74 CCCCCC#CC(=O)OC SBB009081 [0,1,0,0,0,0|0,0,2]=3 47 B10R0.74 CCCCCCCC(=O)NN SBB056838 [0,1,0,0,0,0|1,0,2]=4 48 B10R0.74 CCCCCCCC(=O)OC SBB060592 [0,1,0,0,0,0|0,0,2]=3 49 B10R0.74 CCCCCCCC(C)C=O SBB061221 [0,1,0,0,0,0|0,0,3]=4 50 B10R0.74 CCCCCCNC(=O)CCl SBB017392 [0,1,0,0,0,0|1,0,1]=3 51 B10R0.74 CCCCCCOC(=O)CCl SBB061569 [0,1,0,0,0,0|1,0,1]=3 52 B10R0.74 CCCCCCOC(=O)CS SBB061229 [0,1,0,0,0,0|1,0,1]=3 53 B10R0.74 CCOCCCNC(=O)CCl SBB010645 [0,1,0,0,0,0|2,0,1]=4 54 B10R0.75 CCCCCCC(=O)N(C)C SBB008017 [0,1,0,0,0,0|2,0,1]=4 55 B10R0.75 CCCCCCC(N)C(=O)O SBB058628 [0,1,0,0,0,0|1,0,2]=4 56 B10R0.78 CCCCC(C)CCC(=O)O SBB065822 [0,1,0,0,0,0|1,0,2]=4 57 B10R1.16 CC1=NN(CCCN)C=C1 SBB007033 [0,0,0,1,0,0|3,0,0]=4 58 B10R1.16 CC1=NN(CCCO)C=C1 SBB022864 [0,0,0,1,0,0|3,0,0]=4 59 B10R1.16 CCCCN1C=CC(C)=N1 SBB025003 [0,0,0,1,0,0|2,0,0]=3 60 B10R1.16 CCCCN1C=CC(N)=N1 SBB022905 [0,0,0,1,0,0|3,0,0]=4 61 B10R1.18 CC(=O)CN1CCCCC1 SBB046418 [0,0,0,1,0,0|1,0,1]=3 62 B10R1.18 CC(=O)CN1CCOCC1 SBB046376 [0,0,0,1,0,0|2,0,1]=4 63 B10R1.18 CC(=O)NC1CCCCC1 SBB058211 [0,0,0,1,0,0|1,0,1]=3 64 B10R1.18 CC(=O)NC1CCCNC1 SBB047941 [0,0,0,1,0,0|2,0,1]=4 65 B10R1.18 CC(=O)OC1CCCCC1 SBB060309 [0,0,0,1,0,0|1,0,1]=3 66 B10R1.18 NC(=O)NC1CCCCC1 SBB028268 [0,0,0,1,0,0|2,0,1]=4 67 B10R1.18 O=C(O)CC1=CCCCC1 SBB008386 [0,0,0,1,0,0|1,0,2]=4 68 B10R1.18 O=C(O)CC1CCCCC1 SBB058720 [0,0,0,1,0,0|1,0,2]=4 69 B10R1.18 O=C(O)CN1CCCCC1 SBB014040 [0,0,0,1,0,0|2,0,1]=4 70 B10R1.39 CCN1N=CC=C1C(C)=O SBB021380 [0,0,0,1,0,0|2,0,1]=4 71 B10R1.66 CC(=O)CCC1CCCO1 SBB017110 [0,0,0,1,0,0|1,0,2]=4 72 B10R1.66 O=C(Cl)CCC1CCCC1 SBB058619 [0,0,0,1,0,0|1,0,2]=4 73 B10R1.66 O=C(O)CCC1CCCC1 SBB040565 [0,0,0,1,0,0|1,0,2]=4 74 B10R1.78 O=C1CCCCCCCN1 SBB058438 [0,0,0,1,0,0|1,0,1]=3 75 B10R1.348 O=C(O)C1CCCCCC1 SBB008467 [0,0,0,1,0,0|1,0,2]=4 76 B7R0.1 C=CCCCCCC SBB059884 [2,0,0,0,0,0|0,0,1]=3 77 B7R0.1 C=CCSCCCC SBB058522 [2,0,0,0,0,0|1,0,1]=4 78 B7R0.1 CCCCCCOC SBB061157 [2,0,0,0,0,0|1,0,1]=4 79 B7R0.1 CCCCCOC=O SBB060301 [2,0,0,0,0,0|1,0,0]=3 80 B7R0.1 C\C=C\CCCCC SBB059885 [2,0,0,0,0,0|0,0,0]=2 81 B7R0.4 CCCCCC(=O)Cl SBB060011 [2,0,0,0,0,0|1,0,0]=3 82 B7R0.4 CCCCCC(=O)O SBB053586 [2,0,0,0,0,0|1,0,0]=3 83 B7R0.4 CCCCCC(C)=O SBB061125 [2,0,0,0,0,0|0,0,0]=2 84 B7R0.4 CCCCCC(N)=O SBB061056 [2,0,0,0,0,0|1,0,0]=3 85 B7R0.4 CCCCOC(N)=O SBB060819 [2,0,0,0,0,0|2,0,0]=4 86 B7R0.4 CCC\C=C\C(=O)O SBB009088 [2,0,0,0,0,0|1,0,0]=3 87 B7R0.4 CCOCCC(=O)O SBB053607 [2,0,0,0,0,0|2,0,0]=4 88 B7R0.4 COCCOC(C)=O SBB060999 [2,0,0,0,0,0|2,0,0]=4 89 B7R0.4 NCCCCC(=O)O SBB061559 [2,0,0,0,0,0|2,0,0]=4 90 B7R0.4 O=C(O)CCCCBr SBB061343 [2,0,0,0,0,0|2,0,0]=4 91 B7R0.4 O=C(O)CCCCCl SBB061215 [2,0,0,0,0,0|2,0,0]=4 92 B9R0.5 CCCCCC(=O)CCC SBB005828 [1,1,0,0,0,0|0,0,2]=4 93 B9R0.5 CCCCCC(=O)OCC SBB060316 [1,1,0,0,0,0|1,0,1]=4 94 B9R0.45 C(=O)\C=C\CCCCCC SBB006609 [1,1,0,0,0,0|0,0,0]=2 95 B9R0.45 C(=O)\C=C\CC\C=C/CC SBB006611 [1,1,0,0,0,0|0,0,1]=3 96 B9R0.45 CCCCCCCCC=O SBB059872 [1,1,0,0,0,0|0,0,2]=4 97 B9R0.45 CCCCCCCOC=O SBB060303 [1,1,0,0,0,0|0,0,2]=4 98 B9R0.46 CCCCCCC(=O)CC SBB007744 [1,1,0,0,0,0|0,0,2]=4 99 B9R0.46 CCCCCCC(=O)OC SBB060317 [1,1,0,0,0,0|1,0,1]=4 100 B9R0.46 CCCCCOC(=O)CC SBB058817 [1,1,0,0,0,0|1,0,1]=4 101 B9R0.47 CCCCCC(=O)N(C)C SBB008014 [1,1,0,0,0,0|2,0,0]=4 102 B9R0.48 CCCC(=O)CCC(C)=O SBB008161 [1,1,0,0,0,0|0,0,2]=4 103 B9R0.55 CC(=O)CCCOC(C)=O SBB001556 [1,1,0,0,0,0|1,0,1]=4 104 B9R0.55 CC(C)CCCCC(=O)O SBB065917 [1,1,0,0,0,0|1,0,1]=4 105 B11R0.40 CCCCCCC#CC(=O)OC SBB088197 [0,2,0,0,0,0|0,0,2]=4 106 B11R0.40 CCCCCCCCC(=O)OC SBB060593 [0,2,0,0,0,0|0,0,2]=4 107 B11R0.40 CCCCCCCOC(=O)CC SBB060313 [0,2,0,0,0,0|0,0,2]=4 108 B11R0.40 CCCCCCCOC(=O)CCl SBB061233 [0,2,0,0,0,0|0,0,2]=4 109 B11R0.40 CCCCCCCOC(=O)CS SBB057443 [0,2,0,0,0,0|0,0,2]=4 110 B11R0.42 CCCCCCCC(=O)N(C)C SBB007989 [0,2,0,0,0,0|0,0,2]=4 111 B11R0.148 CCCCCCCCCC(C)=O SBB060389 [0,2,0,0,0,0|0,0,2]=4 112 B11R0.148 CCCCCCCCOC(C)=O SBB060585 [0,2,0,0,0,0|0,0,2]=4 113 B11R0.148 CCOCCOCCOC(C)=O SBB061099 [0,2,0,0,0,0|1,0,1]=4 114 B11R0.4 CCCCCC#CC(=O)OCC SBB008812 [0,2,0,0,0,0|0,0,2]=4 115 B11R0.4 CCCCCCCC(=O)OCC SBB061059 [0,2,0,0,0,0|0,0,2]=4 116 B11R0.4 CCCCCCOC(=O)CCC SBB061110 [0,2,0,0,0,0|1,0,1]=4 117 B11R0.164 CCCCC(CC)COC(C)=O SBB060584 [0,2,0,0,0,0|1,0,1]=4 118 B9R1.8 C(=O)NC1CCCCC1 SBB007682 [1,0,0,1,0,0|1,0,1]=4 119 B9R1.15 CCC1CCCOC1=O SBB061552 [1,0,0,1,0,0|1,0,1]=4 120 B9R1.33 CCCN1N=CC=C1C SBB024159 [1,0,0,1,0,0|2,0,0]=4 121 B9R1.50 O=C1CCCCCCC1 SBB008888 [1,0,0,1,0,0|0,0,2]=4 122 B9R1.89 O=CC1CCCCCC1 SBB059644 [1,0,0,1,0,0|0,0,2]=4 123 B9R1.2 CCN1CCCC(=O)C1 SBB056089 [1,0,0,1,0,0|1,0,1]=4 124 B9R1.2 O=C1CCCC(CO)C1 SBB054862 [1,0,0,1,0,0|1,0,1]=4 125 B9R1.6 CC(=O)C1CCOCC1 SBB055952 [1,0,0,1,0,0|1,0,1]=4 126 B9R1.6 CC(=O)N1CCNCC1 SBB027339 [1,0,0,1,0,0|2,0,0]=4 127 B9R1.6 NC(=O)C1CCCCC1 SBB008414 [1,0,0,1,0,0|1,0,1]=4 128 B9R1.6 O=C(Cl)C1CCCCC1 SBB040626 [1,0,0,1,0,0|1,0,1]=4 129 B9R1.6 O=C(O)C1CCCCC1 SBB008550 [1,0,0,1,0,0|1,0,1]=4 130 B9R1.6 OC(=O)C1=CCCCC1 SBB006589 [1,0,0,1,0,0|1,0,0]=3 131 B9R1.7 CCCN1C=CC(C)=N1 SBB024160 [1,0,0,1,0,0|2,0,0]=4 132 B9R1.13 CC(=O)CC1CCCC1 SBB008343 [1,0,0,1,0,0|0,0,1]=3 133 B9R1.13 CC(=O)OC1CCCC1 SBB060737 [1,0,0,1,0,0|1,0,0]=3 134 B9R1.13 O=C(Cl)CC1CCCC1 SBB116687 [1,0,0,1,0,0|1,0,1]=4 135 B9R1.13 O=C(Cl)OC1CCCC1 SBB056243 [1,0,0,1,0,0|2,0,0]=4 136 B9R1.13 O=C(O)CC1CCCC1 SBB080711 [1,0,0,1,0,0|1,0,1]=4 137 B9R1.84 O=C(O)CCC1CCC1 SBB072391 [1,0,0,1,0,0|1,0,1]=4 138 B11R1.124 CCCC1=CC=C(C(C)=O)S1 SBB021427 [0,1,0,1,0,0|0,0,2]=4 139 B11R1.124 CCCN1C=C(C(C)=O)C=N1 SBB022361 [0,1,0,1,0,0|2,0,0]=4 140 B11R1.157 CC(=O)CN1CCCC(C)C1 SBB046420 [0,1,0,1,0,0|1,0,1]=4 141 B11R1.86 CC(=O)CN1CCCCC1C SBB046421 [0,1,0,1,0,0|0,0,2]=4 142 B11R1.86 CC(=O)NC1CCCC[C@H]1Cl SBB056532 [0,1,0,1,0,0|1,0,1]=4 143 B11R1.91 CC(=O)NCC1CCNCC1 SBB047898 [0,1,0,1,0,0|1,0,1]=4 144 B11R1.91 NC(=O)NN=C1CCCCC1 SBB087080 [0,1,0,1,0,0|2,0,0]=4 145 B11R1.91 O=C(O)\C=C\C1CC=CCC1 SBB076267 [0,1,0,1,0,0|1,0,1]=4 146 B11R1.143 CC(=O)N1CCCCCC1=O SBB008053 [0,1,0,1,0,0|1,0,0]=3 147 B11R1.34 CCCC1CC(=O)CC(=O)C1 SBB059705 [0,1,0,1,0,0|0,0,1]=3 148 B11R1.77 CC(=O)CC(=O)N1CCCC1 SBB056518 [0,1,0,1,0,0|1,0,1]=4 149 B11R1.230 CCCCN1N=C(C)C=C1N SBB007275 [0,1,0,1,0,0|2,0,0]=4 150 B11R1.1 CCCCC1CCC(=O)CC1 SBB059680 [0,1,0,1,0,0|0,0,2]=4 151 B11R1.40 O=C(CBr)NC1CCCCC1 SBB080041 [0,1,0,1,0,0|1,0,1]=4 152 B11R1.40 O=C(CCl)NC1CCCCC1 SBB017388 [0,1,0,1,0,0|1,0,1]=4 153 B11R1.214 CCCCC1=CC=C(C=O)S1 SBB079517 [0,1,0,1,0,0|1,0,1]=4 154 B11R1.214 CCCCC1=CC=C(CC)S1 SBB116851 [0,1,0,1,0,0|0,1,1]=4 155 B11R1.852 O=C(CCl)N1CCCCCC1 SBB038719 [0,1,0,1,0,0|1,0,1]=4 156 B11R1.231 CCCCN1C=C(Cl)C(C)=N1 SBB046654 [0,1,0,1,0,0|2,0,0]=4 157 B11R1.231 CCCCN1C=C(I)C(C)=N1 SBB074042 [0,1,0,1,0,0|2,0,0]=4