0 B8R0.1 C=CCOC(=O)CCC SBB061324 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.1 CCC#CC(=O)OCC SBB008819 [0,0,0,0,0,0|0,0,2]=2 2 B8R0.1 CCCC(=O)OCCCl SBB061294 [0,0,0,0,0,0|3,0,0]=3 3 B8R0.1 CCCCC(=O)OCC SBB061113 [0,0,0,0,0,0|0,0,0]=0 4 B8R0.1 CCCCC(O)CCC SBB059905 [0,0,0,0,0,0|1,0,2]=3 5 B8R0.1 CCCCS(=O)CCO SBB019077 [0,0,0,0,0,0|3,0,0]=3 6 B8R0.1 CCCNC(=O)CC#N SBB049417 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.1 CCCOC(=O)CCC SBB061105 [0,0,0,0,0,0|2,0,0]=2 8 B8R0.1 CCOC(=O)CCCBr SBB070757 [0,0,0,0,0,0|1,0,0]=1 9 B8R0.1 CCOC(=O)CCCN SBB003878 [0,0,0,0,0,0|1,0,0]=1 10 B8R0.1 CCOC(=O)CNC=O SBB067158 [0,0,0,0,0,0|2,0,1]=3 11 B8R0.1 CCOC(=O)NCCO SBB079074 [0,0,0,0,0,0|2,0,0]=2 12 B8R0.1 CCOC(=O)\C=C\CBr SBB070755 [0,0,0,0,0,0|1,0,2]=3 13 B8R0.1 O=C(CCS)OCCO SBB008479 [0,0,0,0,0,0|4,0,0]=4 14 B7R0.1 CCCCC#CCO SBB008796 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.1 CCCCCCCBr SBB059936 [1,0,0,0,0,0|2,0,1]=4 16 B7R0.1 CCCCCCCCl SBB059954 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.1 CCCCCCCN SBB059985 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.1 CCCCCCOC SBB061157 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.1 CCCCCOC=O SBB060301 [1,0,0,0,0,0|1,0,2]=4 20 B7R0.1 CCCCNCCC SBB059822 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.1 CCCCOCCBr SBB007731 [1,0,0,0,0,0|3,0,0]=4 22 B7R0.1 CCCCOCCCl SBB059964 [1,0,0,0,0,0|3,0,0]=4 23 B7R0.1 CCCCOCCO SBB059918 [1,0,0,0,0,0|3,0,0]=4 24 B7R0.1 CCCCSCCN SBB072659 [1,0,0,0,0,0|3,0,0]=4 25 B7R0.1 CCCCSCCO SBB013616 [1,0,0,0,0,0|3,0,0]=4 26 B7R0.1 CCCCSCCS SBB057435 [1,0,0,0,0,0|3,0,0]=4 27 B7R0.1 CCCOCCCN SBB056585 [1,0,0,0,0,0|3,0,0]=4 28 B7R0.1 CCCSSCCC SBB058501 [1,0,0,0,0,0|3,0,0]=4 29 B7R0.1 CCNCCCCO SBB052126 [1,0,0,0,0,0|2,0,1]=4 30 B7R0.1 CCNCCNCC SBB072869 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.1 C\C=C\CCCCC SBB059885 [1,0,0,0,0,0|1,0,2]=4 32 B7R0.3 C=C(CC)CCCC SBB060475 [1,0,0,0,0,0|1,0,0]=2 33 B7R0.3 CCC(=O)OCCCl SBB060315 [1,0,0,0,0,0|2,0,0]=3 34 B7R0.3 CCCCC(=O)NN SBB028196 [1,0,0,0,0,0|2,0,0]=3 35 B7R0.3 CCCCC(Cl)CCl SBB060394 [1,0,0,0,0,0|2,0,1]=4 36 B7R0.3 CCCNC(=O)CCl SBB016586 [1,0,0,0,0,0|2,0,0]=3 37 B7R0.3 CCCOC(=O)CCl SBB060962 [1,0,0,0,0,0|2,0,0]=3 38 B7R0.3 CCCOC(=O)CS SBB061003 [1,0,0,0,0,0|2,0,0]=3 39 B7R0.3 CCN(C)CCCO SBB046555 [1,0,0,0,0,0|3,0,0]=4 40 B7R0.3 CCNCC(O)CC SBB072921 [1,0,0,0,0,0|1,0,2]=4 41 B7R0.3 CCOCC(=O)NN SBB080108 [1,0,0,0,0,0|3,0,0]=4 42 B7R0.3 CNCCC(=O)NC SBB046578 [1,0,0,0,0,0|2,0,0]=3 43 B7R0.3 CNCCC(=O)NC SBB080433 [1,0,0,0,0,0|2,0,0]=3 44 B7R0.3 COC(=N)CCCCl SBB056505 [1,0,0,0,0,0|2,0,0]=3 45 B7R0.3 COC(=O)\C=C\CBr SBB070730 [1,0,0,0,0,0|1,0,2]=4 46 B7R0.3 N(N)C(=O)CCOC SBB059492 [1,0,0,0,0,0|3,0,0]=4 47 B7R0.3 NNC(=O)CCCO SBB028199 [1,0,0,0,0,0|3,0,0]=4 48 B7R0.3 O=C(CCl)OCCCl SBB061273 [1,0,0,0,0,0|3,0,0]=4 49 B7R0.7 C=C=CC(=O)OCC SBB054147 [1,0,0,0,0,0|0,0,3]=4 50 B7R0.7 CC#CC(=O)OCC SBB069554 [1,0,0,0,0,0|0,0,2]=3 51 B7R0.7 CCCC(=O)CCC SBB060386 [1,0,0,0,0,0|1,0,0]=2 52 B7R0.7 CCCC(N)CCC SBB018801 [1,0,0,0,0,0|2,0,1]=4 53 B7R0.7 CCCC(O)CCC SBB061327 [1,0,0,0,0,0|1,0,2]=4 54 B7R0.7 CCCN(C)CCC SBB061592 [1,0,0,0,0,0|3,0,0]=4 55 B7R0.7 CCNC(=O)CC#N SBB000040 [1,0,0,0,0,0|2,0,1]=4 56 B7R0.7 CCNC(=O)NCC SBB058550 [1,0,0,0,0,0|2,0,0]=3 57 B7R0.7 CCOC(=O)CC#N SBB040821 [1,0,0,0,0,0|1,0,1]=3 58 B7R0.7 CCOC(=O)CCBr SBB070739 [1,0,0,0,0,0|1,0,0]=2 59 B7R0.7 CCOC(=O)CCN SBB004038 [1,0,0,0,0,0|1,0,0]=2 60 B7R0.7 CCOC(=O)CNN SBB021976 [1,0,0,0,0,0|2,0,0]=3 61 B7R0.7 CCOC(=O)CNN SBB054137 [1,0,0,0,0,0|2,0,0]=3 62 B7R0.7 CCOC(=O)N=C=S SBB066610 [1,0,0,0,0,0|2,0,1]=4 63 B7R0.7 CCOC(=O)OCC SBB060086 [1,0,0,0,0,0|1,0,0]=2 64 B7R0.7 CCOC(C)OCC SBB058503 [1,0,0,0,0,0|2,0,1]=4 65 B7R0.7 CCOS(=O)OCC SBB060108 [1,0,0,0,0,0|2,0,0]=3 66 B7R0.7 C\C=C\C(=O)OCC SBB061219 [1,0,0,0,0,0|0,0,2]=3 67 B7R0.7 N(C)CC(=O)OCC SBB004039 [1,0,0,0,0,0|1,0,0]=2 68 B7R0.7 P(=O)(OCC)OCC SBB056825 [1,0,0,0,0,0|2,0,0]=3 69 B9R0.5 CCCC#CC(=O)OCC SBB008805 [0,1,0,0,0,0|0,0,1]=2 70 B9R0.5 CCCCCC(=O)CCC SBB005828 [0,1,0,0,0,0|1,0,0]=2 71 B9R0.5 CCCCCC(=O)OCC SBB060316 [0,1,0,0,0,0|0,0,0]=1 72 B9R0.5 CCCCOC(=O)CCC SBB061107 [0,1,0,0,0,0|1,0,0]=2 73 B9R0.5 CCOC(=O)CCCCBr SBB070781 [0,1,0,0,0,0|0,0,0]=1 74 B9R0.5 CCOC(=O)CCN=C=O SBB046971 [0,1,0,0,0,0|1,0,1]=3 75 B9R0.5 CCO\C=C\C(=O)OCC SBB086340 [0,1,0,0,0,0|0,0,2]=3 76 B9R0.18 CCCCC(=O)CCCC SBB060073 [0,1,0,0,0,0|1,0,0]=2 77 B9R0.18 CCCCC(=O)OCCC SBB061228 [0,1,0,0,0,0|0,0,0]=1 78 B9R0.18 CCCCN(C)CCCC SBB061560 [0,1,0,0,0,0|3,0,0]=4 79 B9R0.18 CCCCS(=O)CCCC SBB060669 [0,1,0,0,0,0|2,0,0]=3 80 B9R0.18 CCCNC(=S)NCCC SBB007909 [0,1,0,0,0,0|2,1,0]=4 81 B9R0.34 CCOC(=O)CC(=O)CCl SBB040868 [0,1,0,0,0,0|1,0,1]=3 82 B9R0.34 CCOC(=O)CC(C)NC SBB046551 [0,1,0,0,0,0|1,0,0]=2 83 B9R0.34 CCOC(=O)C[C@H](O)CCl SBB070707 [0,1,0,0,0,0|1,0,0]=2 84 B9R0.34 CCOC(=O)\C=C(\C)NC SBB080741 [0,1,0,0,0,0|1,0,2]=4 85 B9R0.34 N(C(=O)CCl)C(=O)OCC SBB003907 [0,1,0,0,0,0|2,0,1]=4 86 B9R0.35 CCCC(=O)C(O)CCC SBB008396 [0,1,0,0,0,0|1,0,0]=2 87 B9R0.35 CCNC(=O)C(=O)NCC SBB007900 [0,1,0,0,0,0|2,0,1]=4 88 B9R0.35 CCOC(=O)C(=O)OCC SBB040948 [0,1,0,0,0,0|1,0,1]=3 89 B9R0.35 CCOC(=O)C(C)N=C=O SBB048880 [0,1,0,0,0,0|2,0,1]=4 90 B9R0.35 CCOC(=O)C(C)N=C=S SBB050954 [0,1,0,0,0,0|2,0,1]=4 91 B9R0.48 CCCC(=O)CCC(C)=O SBB008161 [0,1,0,0,0,0|1,0,1]=3 92 B9R0.48 CCCC(=O)OCC(C)C SBB061108 [0,1,0,0,0,0|2,0,0]=3 93 B9R0.48 CCOC(=O)CNC(C)=O SBB061661 [0,1,0,0,0,0|1,0,1]=3 94 B9R0.48 CCOC(=O)CNC(N)=O SBB086470 [0,1,0,0,0,0|2,0,1]=4 95 B9R0.48 CCOC(C)OCC(C)C SBB059867 [0,1,0,0,0,0|2,0,1]=4 96 B9R1.2 CCN1CCCC(=O)C1 SBB056089 [0,0,0,1,0,0|2,0,0]=3 97 B9R1.2 O=C1CCCC(CO)C1 SBB054862 [0,0,0,1,0,0|2,0,0]=3 98 B9R1.8 CCCC1CCCCN1 SBB017578 [0,0,0,1,0,0|2,0,1]=4 99 B9R1.8 CCCC1CCCCN1 SBB050937 [0,0,0,1,0,0|2,0,1]=4 100 B9R1.8 CCCN1CCCCC1 SBB061042 [0,0,0,1,0,0|3,0,0]=4 101 B9R1.8 CCOC1CCNCC1 SBB027269 [0,0,0,1,0,0|2,0,1]=4 102 B9R1.8 CCOC1CCNCC1 SBB080379 [0,0,0,1,0,0|2,0,1]=4 103 B9R1.8 NCCC1=CCCCC1 SBB058805 [0,0,0,1,0,0|3,0,0]=4 104 B9R1.12 CCCCN1CCCC1 SBB061041 [0,0,0,1,0,0|3,0,0]=4 105 B9R1.12 CCNCC1CCCO1 SBB080022 [0,0,0,1,0,0|2,0,1]=4 106 B9R1.15 CCC1CCCOC1=O SBB061552 [0,0,0,1,0,0|2,0,0]=3 107 B9R1.15 CCC1NCCNC1=O SBB010255 [0,0,0,1,0,0|3,0,0]=4 108 B9R1.15 COC1CCCNC1=O SBB056098 [0,0,0,1,0,0|3,0,0]=4 109 B9R1.15 O=C1CCCCC1CO SBB054864 [0,0,0,1,0,0|2,0,0]=3 110 B9R1.33 NCCN1CCCC1=O SBB300961 [0,0,0,1,0,0|3,0,0]=4 111 B9R1.33 NCCN1CCNC1=O SBB018890 [0,0,0,1,0,0|3,0,0]=4 112 B9R1.33 O=C1CCCN1CCCl SBB010314 [0,0,0,1,0,0|3,0,0]=4 113 B9R1.33 O=C1NCCN1CCO SBB008288 [0,0,0,1,0,0|3,0,0]=4 114 B9R1.33 O=C1OCCN1CCO SBB007726 [0,0,0,1,0,0|2,0,0]=3 115 B9R1.48 O=C1CCCCC(=O)C1 SBB056238 [0,0,0,1,0,0|2,0,1]=4 116 B9R1.50 NC1CCCCCCC1 SBB004245 [0,0,0,1,0,0|2,0,1]=4 117 B9R1.50 O=C1CCCCCCC1 SBB008888 [0,0,0,1,0,0|1,0,0]=2 118 B9R1.50 OC1CCCCCCC1 SBB058905 [0,0,0,1,0,0|1,0,2]=4 119 B9R1.73 CCOC(=O)C1CCC1 SBB059126 [0,0,0,1,0,0|0,0,0]=1 120 B6R0.6 CCCCCCBr SBB059934 [2,0,0,0,0,0|1,0,1]=4 121 B6R0.6 CCCCCCCl SBB059952 [2,0,0,0,0,0|1,0,1]=4 122 B6R0.6 CCCCCCN SBB059984 [2,0,0,0,0,0|1,0,1]=4 123 B6R0.6 CCCCCCO SBB059899 [2,0,0,0,0,0|1,0,1]=4 124 B6R0.6 CCCCCOC SBB061300 [2,0,0,0,0,0|0,0,1]=3 125 B6R0.6 CCCCOC=O SBB060300 [2,0,0,0,0,0|1,0,1]=4 126 B6R0.6 CCCCSCC SBB061178 [2,0,0,0,0,0|0,1,0]=3 127 B6R0.6 CCCNCCC SBB059762 [2,0,0,0,0,0|1,0,1]=4 128 B6R0.6 CCCSCCC SBB061017 [2,0,0,0,0,0|1,0,1]=4 129 B6R0.6 CCOCCC#N SBB067181 [2,0,0,0,0,0|1,0,1]=4 130 B6R0.6 CCOCCCN SBB028180 [2,0,0,0,0,0|1,0,0]=3 131 B6R0.6 CC\C=C/CCO SBB007739 [2,0,0,0,0,0|1,0,1]=4 132 B6R0.1 C#CC(=O)OCC SBB060344 [2,0,0,0,0,0|0,0,2]=4 133 B6R0.1 C=CC(=O)OCC SBB060348 [2,0,0,0,0,0|0,0,2]=4 134 B6R0.1 CCCC(=O)CC SBB061496 [2,0,0,0,0,0|0,0,0]=2 135 B6R0.1 CCCC(=O)NN SBB028175 [2,0,0,0,0,0|2,0,0]=4 136 B6R0.1 CCCC(=O)OC SBB061104 [2,0,0,0,0,0|0,0,0]=2 137 B6R0.1 CCCC(O)CC SBB061363 [2,0,0,0,0,0|0,0,2]=4 138 B6R0.1 CCNC(=O)CBr SBB051008 [2,0,0,0,0,0|2,0,0]=4 139 B6R0.1 CCNC(=O)CCl SBB008200 [2,0,0,0,0,0|2,0,0]=4 140 B6R0.1 CCOC(=O)CBr SBB060995 [2,0,0,0,0,0|1,0,0]=3 141 B6R0.1 CCOC(=O)CC SBB060312 [2,0,0,0,0,0|0,0,0]=2 142 B6R0.1 CCOC(=O)NN SBB028182 [2,0,0,0,0,0|2,0,0]=4 143 B6R0.1 COC(=O)CC#N SBB059483 [2,0,0,0,0,0|1,0,1]=4 144 B6R0.1 COC(=O)CCBr SBB070709 [2,0,0,0,0,0|1,0,0]=3 145 B6R0.1 COC(=O)CCN SBB071679 [2,0,0,0,0,0|1,0,0]=3 146 B6R0.1 C\C=C\C(=O)OC SBB061218 [2,0,0,0,0,0|0,0,2]=4 147 B6R0.1 [NH3+]CC(=O)OCC SBB056599 [2,0,0,0,0,0|1,0,0]=3 148 B6R0.4 C#CCCC(=O)O SBB009121 [2,0,0,0,0,0|0,0,2]=4 149 B6R0.4 C=CCCC(=O)O SBB061214 [2,0,0,0,0,0|0,0,2]=4 150 B6R0.4 C=CCCC(C)=O SBB009089 [2,0,0,0,0,0|0,0,2]=4 151 B6R0.4 CC(=O)NCCCl SBB008165 [2,0,0,0,0,0|2,0,0]=4 152 B6R0.4 CC(=O)NCCN SBB028176 [2,0,0,0,0,0|2,0,0]=4 153 B6R0.4 CC(=O)NCCO SBB007954 [2,0,0,0,0,0|2,0,0]=4 154 B6R0.4 CC(=O)OCCCl SBB058505 [2,0,0,0,0,0|2,0,0]=4 155 B6R0.4 CCC#CC(C)=O SBB009086 [2,0,0,0,0,0|0,0,2]=4 156 B6R0.4 CCCCC(=O)O SBB053585 [2,0,0,0,0,0|0,0,0]=2 157 B6R0.4 CCCCC(C)=O SBB061262 [2,0,0,0,0,0|0,0,0]=2 158 B6R0.4 CCCCC(C)O SBB061290 [2,0,0,0,0,0|0,0,2]=4 159 B6R0.4 CCCCC(N)=O SBB028169 [2,0,0,0,0,0|1,0,0]=3 160 B6R0.4 CCCCN(C)C SBB060243 [2,0,0,0,0,0|2,0,0]=4 161 B6R0.4 CCCNC(N)=O SBB028174 [2,0,0,0,0,0|2,0,0]=4 162 B6R0.4 CCCOC(C)=O SBB060305 [2,0,0,0,0,0|1,0,0]=3 163 B6R0.4 CCCOC(N)=O SBB000036 [2,0,0,0,0,0|2,0,0]=4 164 B6R0.4 CCOCC(=O)O SBB069120 [2,0,0,0,0,0|1,0,0]=3 165 B6R0.4 CCSCC(=O)O SBB047288 [2,0,0,0,0,0|1,0,0]=3 166 B6R0.4 CC\C=C\C(=O)O SBB061994 [2,0,0,0,0,0|0,0,2]=4 167 B6R0.4 CNCCC(N)=O SBB080375 [2,0,0,0,0,0|2,0,0]=4 168 B6R0.4 NCCCC(=O)O SBB028179 [2,0,0,0,0,0|1,0,0]=3 169 B6R0.4 O=C(Cl)CCCCl SBB060894 [2,0,0,0,0,0|2,0,0]=4 170 B6R0.4 O=C(O)CCCBr SBB065986 [2,0,0,0,0,0|1,0,0]=3 171 B8R0.4 CCCCC#CCCO SBB009106 [1,1,0,0,0,0|1,0,1]=4 172 B8R0.4 CCCCCCCCBr SBB059937 [1,1,0,0,0,0|1,0,1]=4 173 B8R0.4 CCCCCCCCCl SBB059955 [1,1,0,0,0,0|1,0,1]=4 174 B8R0.4 CCCCCCCCN SBB059986 [1,1,0,0,0,0|1,0,1]=4 175 B8R0.4 CCCCCCCCO SBB059902 [1,1,0,0,0,0|1,0,1]=4 176 B8R0.4 CCCCCCCNC SBB059820 [1,1,0,0,0,0|1,0,1]=4 177 B8R0.4 CCCCCCSCC SBB061179 [1,1,0,0,0,0|0,1,1]=4 178 B8R0.4 CCCCCNCCO SBB059826 [1,1,0,0,0,0|1,0,1]=4 179 B8R0.4 CCCCNCCCC SBB059755 [1,1,0,0,0,0|1,0,1]=4 180 B8R0.4 CCCCNCCOC SBB056732 [1,1,0,0,0,0|2,0,0]=4 181 B8R0.4 CCCCOCCCC SBB060059 [1,1,0,0,0,0|1,0,1]=4 182 B8R0.4 CCCCOCCCN SBB061718 [1,1,0,0,0,0|2,0,0]=4 183 B8R0.4 CCCCSCCCC SBB060667 [1,1,0,0,0,0|1,0,1]=4 184 B8R0.4 CCOCCOCCCl SBB060378 [1,1,0,0,0,0|1,0,1]=4 185 B8R0.4 CCOCCOCCO SBB060178 [1,1,0,0,0,0|1,0,1]=4 186 B8R0.4 CCSCCOCCO SBB061065 [1,1,0,0,0,0|1,0,1]=4 187 B8R0.6 CCCCCC(=O)CC SBB060388 [1,1,0,0,0,0|1,0,1]=4 188 B8R0.6 CCCCCC(O)CC SBB059904 [1,1,0,0,0,0|1,0,1]=4 189 B8R0.6 CCCCOC(=O)CC SBB060578 [1,1,0,0,0,0|2,0,0]=4 190 B8R0.7 CCCCCCC(C)Br SBB060198 [1,1,0,0,0,0|1,0,1]=4 191 B8R0.7 CCCCCCC(C)N SBB028238 [1,1,0,0,0,0|1,0,1]=4 192 B8R0.7 CCCCCCC(C)O SBB059903 [1,1,0,0,0,0|1,0,1]=4 193 B8R0.7 CCCCCOC(C)=O SBB060027 [1,1,0,0,0,0|0,0,2]=4 194 B8R0.7 CCCCNCC(C)C SBB059764 [1,1,0,0,0,0|2,0,0]=4 195 B8R0.7 CCCCNCC(C)O SBB059782 [1,1,0,0,0,0|2,0,0]=4 196 B8R0.7 [NH2+](CCCC)CC(C)C SBB061643 [1,1,0,0,0,0|2,0,0]=4 197 B8R0.3 CCOC(=O)C(=O)CC SBB108891 [1,1,0,0,0,0|1,0,1]=4 198 B8R0.3 COC(=O)C(C)CCCl SBB054131 [1,1,0,0,0,0|1,0,0]=3 199 B8R0.3 COC(=O)[C@@H](N)CSC SBB080950 [1,1,0,0,0,0|1,0,0]=3 200 B8R0.8 CC(O)C(=O)NCCO SBB008212 [1,1,0,0,0,0|2,0,0]=4 201 B8R0.8 CCCCC(=O)C(C)=O SBB008584 [1,1,0,0,0,0|0,0,1]=3 202 B8R0.8 CCCCC(=O)N(C)C SBB007992 [1,1,0,0,0,0|1,0,0]=3 203 B8R0.8 CCCOC(=O)C(C)Cl SBB060963 [1,1,0,0,0,0|1,0,0]=3 204 B8R0.9 CC(C)COC(=O)CCl SBB060938 [1,1,0,0,0,0|2,0,0]=4 205 B8R0.9 CC(C)COC(=O)CS SBB061005 [1,1,0,0,0,0|2,0,0]=4 206 B8R0.9 CCC(=O)CCC(=O)O SBB072628 [1,1,0,0,0,0|1,0,1]=4 207 B8R0.9 CCC(=O)OCC(C)C SBB060974 [1,1,0,0,0,0|1,0,0]=3 208 B8R0.9 COC(=O)CCC(=O)O SBB061270 [1,1,0,0,0,0|1,0,1]=4 209 B8R0.9 COC(=O)\C=C\C(C)C SBB061964 [1,1,0,0,0,0|0,0,2]=4 210 B8R0.11 C(=O)\C(=C\CCC)CC SBB008156 [1,1,0,0,0,0|0,0,1]=3 211 B8R0.11 CCCCC(C=O)CC SBB060148 [1,1,0,0,0,0|0,0,1]=3 212 B8R0.11 CCCCC(CC)CBr SBB059938 [1,1,0,0,0,0|1,0,1]=4 213 B8R0.11 CCCCC(CC)CCl SBB005809 [1,1,0,0,0,0|1,0,1]=4 214 B8R0.11 CCCCC(CC)CI SBB061182 [1,1,0,0,0,0|1,0,1]=4 215 B8R0.11 CCCCC(CC)CO SBB059906 [1,1,0,0,0,0|0,0,2]=4 216 B8R0.11 NCC(CC)CCCC SBB006745 [1,1,0,0,0,0|1,0,1]=4 217 B8R0.19 CCC(=O)OC(=O)CC SBB060267 [1,1,0,0,0,0|1,0,1]=4 218 B8R0.19 CCC(=O)OC(C)CC SBB061103 [1,1,0,0,0,0|1,0,0]=3 219 B8R0.19 COC(=O)CC(=O)CCl SBB061676 [1,1,0,0,0,0|1,0,1]=4 220 B8R0.25 CCCCC(C)(O)CC SBB061166 [1,1,0,0,0,0|0,0,2]=4 221 B8R0.5 CC(C)OC(=O)CC#N SBB056441 [1,1,0,0,0,0|1,0,1]=4 222 B8R0.5 CCCC(=O)OC(C)C SBB061106 [1,1,0,0,0,0|0,0,0]=2 223 B8R0.5 CCOC(=O)CC(=N)N SBB010259 [1,1,0,0,0,0|1,0,1]=4 224 B8R0.5 CCOC(=O)CC(=O)Cl SBB056440 [1,1,0,0,0,0|1,0,1]=4 225 B8R0.5 CCOC(=O)CC(=O)O SBB066094 [1,1,0,0,0,0|1,0,1]=4 226 B8R0.5 CCOC(=O)CC(C)=O SBB040867 [1,1,0,0,0,0|0,0,1]=3 227 B8R0.5 CCOC(=O)CC(C)C SBB061114 [1,1,0,0,0,0|0,0,0]=2 228 B8R0.5 CCOC(=O)CC(C)N SBB108871 [1,1,0,0,0,0|0,0,0]=2 229 B8R0.5 CCOC(=O)\C=C(\C)N SBB028236 [1,1,0,0,0,0|0,0,2]=4 230 B8R0.22 C(=O)N(CCC)CCC SBB008026 [1,1,0,0,0,0|2,0,0]=4 231 B8R0.22 CCCC(C=O)CCC SBB052355 [1,1,0,0,0,0|1,0,1]=4 232 B8R0.30 CCOS(=O)(=O)OCC SBB060663 [1,1,0,0,0,0|2,0,0]=4 233 B10R0.6 CCCCOC(=O)CN(C)C SBB060887 [0,2,0,0,0,0|2,0,0]=4 234 B10R0.28 CC(C)(C)OC(=O)CCCBr SBB070815 [0,2,0,0,0,0|1,0,0]=3 235 B10R0.28 CC(C)(C)OC(=O)NCCBr SBB096602 [0,2,0,0,0,0|2,0,0]=4 236 B10R0.28 CC(C)(C)OC(=O)NCCN SBB028340 [0,2,0,0,0,0|2,0,0]=4 237 B10R0.28 CC(C)(C)OC(=O)NCCO SBB049624 [0,2,0,0,0,0|2,0,0]=4 238 B10R0.28 CC(C)(C)OC(=O)NCCS SBB089310 [0,2,0,0,0,0|2,0,0]=4 239 B10R0.32 CCOC(=O)C(=O)CC(C)=O SBB008612 [0,2,0,0,0,0|0,0,2]=4 240 B10R0.32 CCOC(=O)C(N)CC(C)C SBB048376 [0,2,0,0,0,0|0,0,0]=2 241 B10R0.1 CCCCC#CC(=O)OCC SBB008804 [0,2,0,0,0,0|0,0,0]=2 242 B10R0.1 CCCCCCC(=O)OCC SBB061117 [0,2,0,0,0,0|0,0,0]=2 243 B10R0.1 CCCCCOC(=O)CCC SBB060758 [0,2,0,0,0,0|1,0,0]=3 244 B10R0.1 CCOC(=O)CCCCCBr SBB006556 [0,2,0,0,0,0|0,0,0]=2 245 B10R0.2 CCCC(=O)CC(=O)OCC SBB061679 [0,2,0,0,0,0|0,0,0]=2 246 B10R0.2 CCCC(=O)OC(=O)CCC SBB040852 [0,2,0,0,0,0|1,0,1]=4 247 B10R0.2 CCNC(=O)CC(=O)NCC SBB000126 [0,2,0,0,0,0|1,0,1]=4 248 B10R0.2 CCNC(C)CC(=O)OCC SBB046533 [0,2,0,0,0,0|0,0,0]=2 249 B10R0.2 CCOC(=N)CC(=O)OCC SBB002620 [0,2,0,0,0,0|0,0,1]=3 250 B10R0.2 CCOC(=O)CC(=O)OCC SBB040813 [0,2,0,0,0,0|0,0,1]=3 251 B10R0.2 CCOC(=O)C[C@H](O)CC#N SBB067618 [0,2,0,0,0,0|0,0,1]=3 252 B10R0.2 CCOC(=O)NC(=O)OCC SBB008155 [0,2,0,0,0,0|1,0,1]=4 253 B10R0.2 CCOC(=O)\C=C(/C)OCC SBB058446 [0,2,0,0,0,0|0,0,2]=4 254 B10R0.2 CCOC(=O)\C=C(/N)OCC SBB003590 [0,2,0,0,0,0|0,0,2]=4 255 B10R0.3 CCCC(=O)OCCC(C)C SBB061109 [0,2,0,0,0,0|1,0,0]=3 256 B10R0.3 CCOC(=O)CCCC(=O)Cl SBB058617 [0,2,0,0,0,0|0,0,1]=3 257 B10R0.19 CCCCC(Br)C(=O)OCC SBB070817 [0,2,0,0,0,0|0,0,0]=2 258 B10R0.19 CCOC(=O)C(N)CCSC SBB000541 [0,2,0,0,0,0|0,0,0]=2 259 B10R0.19 CCOC(=O)[C@@H](N)CCCN SBB070614 [0,2,0,0,0,0|0,0,0]=2 260 B10R0.91 CCCCCC(=O)OCCCl SBB061275 [0,2,0,0,0,0|0,0,0]=2 261 B10R0.108 CCOC(=O)CNC(=O)CCl SBB003757 [0,2,0,0,0,0|1,0,1]=4 262 B10R0.116 CCCCS(=O)(=O)CCCC SBB060123 [0,2,0,0,0,0|2,0,0]=4 263 B10R0.26 CCOC(=O)\C=C(\C)C(C)F SBB087448 [0,2,0,0,0,0|0,0,2]=4 264 B10R0.109 CCOC(=O)CCC(F)(F)F SBB088368 [0,2,0,0,0,0|1,0,0]=3 265 B8R1.2 BrCC1CCOCC1 SBB054945 [1,0,0,1,0,0|1,0,1]=4 266 B8R1.2 CCC1CCCCC1 SBB061162 [1,0,0,1,0,0|1,0,1]=4 267 B8R1.2 CCC1CCNCC1 SBB046379 [1,0,0,1,0,0|1,0,1]=4 268 B8R1.2 CCN1CCCCC1 SBB061409 [1,0,0,1,0,0|1,0,1]=4 269 B8R1.2 CCN1CCOCC1 SBB060634 [1,0,0,1,0,0|1,0,1]=4 270 B8R1.2 N1CCCCC1CC SBB004312 [1,0,0,1,0,0|2,0,0]=4 271 B8R1.2 NCC1CCOCC1 SBB014254 [1,0,0,1,0,0|1,0,1]=4 272 B8R1.2 OCC1CC=CCC1 SBB054865 [1,0,0,1,0,0|2,0,0]=4 273 B8R1.5 CC1CCCNC1C SBB027556 [1,0,0,1,0,0|1,0,1]=4 274 B8R1.36 CCCNCC1CC1 SBB042821 [1,0,0,1,0,0|2,0,0]=4 275 B8R1.49 C1=CCCCCCC1 SBB059890 [1,0,0,1,0,0|1,0,0]=3 276 B8R1.49 C1CCCNCCC1 SBB059854 [1,0,0,1,0,0|1,0,1]=4 277 B8R1.1 CCC1COC(=O)O1 SBB008625 [1,0,0,1,0,0|1,0,0]=3 278 B8R1.1 O=C1CCC(CCl)O1 SBB074378 [1,0,0,1,0,0|2,0,0]=4 279 B8R1.1 OC[C@@H]1CCC(=O)N1 SBB004302 [1,0,0,1,0,0|2,0,0]=4 280 B8R1.3 CC1CCC(C)CC1 SBB061451 [1,0,0,1,0,0|1,0,1]=4 281 B8R1.3 CC1CCC(O)CC1 SBB060479 [1,0,0,1,0,0|0,0,2]=4 282 B8R1.3 CN1CCC(=O)CC1 SBB080527 [1,0,0,1,0,0|1,0,0]=3 283 B8R1.3 C[C@H]1CC[C@H](N)CC1 SBB069772 [1,0,0,1,0,0|1,0,1]=4 284 B8R1.3 O=C1CCC(=O)CC1 SBB059391 [1,0,0,1,0,0|1,0,1]=4 285 B8R1.3 O=C1CCC(O)CC1 SBB056283 [1,0,0,1,0,0|1,0,0]=3 286 B8R1.38 COC(=O)C1CCC1 SBB071501 [1,0,0,1,0,0|0,0,0]=2 287 B8R1.38 NNC(=O)C1CCC1 SBB046617 [1,0,0,1,0,0|2,0,0]=4 288 B8R1.40 O=C(CCl)NC1CC1 SBB016595 [1,0,0,1,0,0|2,0,0]=4 289 B8R1.50 CC1C(=O)CCC1=O SBB060744 [1,0,0,1,0,0|1,0,1]=4 290 B8R1.4 CC1=CC(=O)CCC1 SBB007736 [1,0,0,1,0,0|1,0,1]=4 291 B8R1.4 O=C1CCCC(=O)O1 SBB060010 [1,0,0,1,0,0|1,0,1]=4 292 B10R1.61 CC(=O)C1CCCCC1=O SBB056190 [0,1,0,1,0,0|1,0,1]=4 293 B10R1.10 CCCC1CCOC(C)S1 SBB058540 [0,1,0,1,0,0|1,0,1]=4 294 B10R1.11 CCOC(=O)C1SCCS1 SBB056950 [0,1,0,1,0,0|1,0,0]=3 295 B10R1.19 O=C1CCCCCN1CO SBB001697 [0,1,0,1,0,0|2,0,0]=4 296 B10R1.21 CCCCCC1OCCO1 SBB060997 [0,1,0,1,0,0|0,0,2]=4 297 B10R1.21 CCCNCC1CCCO1 SBB010297 [0,1,0,1,0,0|1,0,1]=4 298 B10R1.29 O=C1CCCN1CCCO SBB056162 [0,1,0,1,0,0|2,0,0]=4 299 B10R1.78 O=C1CCCCCCCN1 SBB058438 [0,1,0,1,0,0|1,0,0]=3 300 B10R1.137 CCOC(=O)C=C1CCC1 SBB054044 [0,1,0,1,0,0|0,0,1]=3 301 B10R1.138 CCCC(=O)OC[C@H]1CO1 SBB086343 [0,1,0,1,0,0|2,0,0]=4 302 B10R1.119 CC1C(=O)CCN(C)C1C SBB002408 [0,1,0,1,0,0|2,0,0]=4 303 B10R1.4 C=CCC1CCCCC1=O SBB006544 [0,1,0,1,0,0|1,0,1]=4 304 B10R1.17 BrCCOC1CCCCO1 SBB070782 [0,1,0,1,0,0|0,0,2]=4 305 B10R1.22 CC1CC(=O)CN(C)C1C SBB002863 [0,1,0,1,0,0|2,0,0]=4 306 B10R1.118 [C@H]1(C)C[C@@H](C)C(=O)OC1=O SBB086230 [0,1,0,1,0,0|1,0,1]=4 307 B10R1.401 CCOC(=O)C1(N)CCC1 SBB003753 [0,1,0,1,0,0|0,0,0]=2 308 B10R1.161 COC1=CCCCCCC1 SBB008525 [0,1,0,1,0,0|1,0,1]=4 309 B10R1.161 O=CC1CCCCCCC1 SBB059655 [0,1,0,1,0,0|1,0,1]=4 310 B10R1.66 CC(O)CCC1CCCO1 SBB001585 [0,1,0,1,0,0|1,0,1]=4 311 B10R2.62 O=C1CN2CCC1CC2 SBB056219 [0,0,0,2,0,0|2,0,0]=4 312 B10R2.62 O=C1CN2CCC1CC2 SBB080572 [0,0,0,2,0,0|2,0,0]=4 313 B10R2.483 C1CCC2(C1)OCCO2 SBB060849 [0,0,0,2,0,0|0,0,2]=4 314 B10R2.42 O=C1OC(=O)C2CCC12 SBB056376 [0,0,0,2,0,0|1,0,1]=4