0 B7R0.4 C#CCCCC(=O)O SBB009090 [0,0,0,0,0,0|0,0,2]=2 1 B7R0.4 CC(C)CCCCBr SBB008833 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.4 CCCC#CC(=O)O SBB009091 [0,0,0,0,0,0|0,0,2]=2 3 B7R0.4 CCCCCC(=O)Cl SBB060011 [0,0,0,0,0,0|1,0,0]=1 4 B7R0.4 CCCCCC(=O)O SBB053586 [0,0,0,0,0,0|0,0,0]=0 5 B7R0.4 CCCCCC(C)=O SBB061125 [0,0,0,0,0,0|1,0,0]=1 6 B7R0.4 CCCCCC(N)=O SBB061056 [0,0,0,0,0,0|1,0,0]=1 7 B7R0.4 CCCCNC(N)=S SBB028242 [0,0,0,0,0,0|2,1,0]=3 8 B7R0.4 CCCCOC(Cl)Cl SBB060510 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.4 CCCCOC(N)=O SBB060819 [0,0,0,0,0,0|2,0,0]=2 10 B7R0.4 CCCOCC(C)O SBB061007 [0,0,0,0,0,0|2,0,1]=3 11 B7R0.4 CCC\C=C\C(=O)O SBB009088 [0,0,0,0,0,0|0,0,2]=2 12 B7R0.4 CCOCCC(=O)O SBB053607 [0,0,0,0,0,0|1,0,0]=1 13 B7R0.4 CN(C)CCCCN SBB008514 [0,0,0,0,0,0|4,0,0]=4 14 B7R0.4 CNCCCN(C)C SBB052125 [0,0,0,0,0,0|4,0,0]=4 15 B7R0.4 COCCNC(N)=S SBB017633 [0,0,0,0,0,0|3,1,0]=4 16 B7R0.4 COCCOC(C)=O SBB060999 [0,0,0,0,0,0|3,0,0]=3 17 B7R0.4 C\C=C\C=C\C(=O)O SBB060282 [0,0,0,0,0,0|0,0,4]=4 18 B7R0.4 NCCCCC(=O)O SBB061559 [0,0,0,0,0,0|1,0,0]=1 19 B7R0.4 O=C(O)CCCCBr SBB061343 [0,0,0,0,0,0|1,0,0]=1 20 B7R0.4 O=C(O)CCCCCl SBB061215 [0,0,0,0,0,0|1,0,0]=1 21 B7R0.4 OC(=O)C\C=C/CC SBB006610 [0,0,0,0,0,0|0,0,2]=2 22 B7R0.4 [NH2+]=C(N)SCCCC SBB060794 [0,0,0,0,0,0|3,0,0]=3 23 B6R0.4 C#CCCC(=O)O SBB009121 [1,0,0,0,0,0|0,0,2]=3 24 B6R0.4 C=CCCC(=O)O SBB061214 [1,0,0,0,0,0|0,0,2]=3 25 B6R0.4 C=CCCC(C)=O SBB009089 [1,0,0,0,0,0|1,0,2]=4 26 B6R0.4 CC(=O)NCCCl SBB008165 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.4 CC(=O)NCCN SBB028176 [1,0,0,0,0,0|3,0,0]=4 28 B6R0.4 CC(=O)NCCO SBB007954 [1,0,0,0,0,0|3,0,0]=4 29 B6R0.4 CC(=O)OCCCl SBB058505 [1,0,0,0,0,0|3,0,0]=4 30 B6R0.4 CCC#CC(C)=O SBB009086 [1,0,0,0,0,0|1,0,2]=4 31 B6R0.4 CCCCC(=O)O SBB053585 [1,0,0,0,0,0|0,0,0]=1 32 B6R0.4 CCCCC(C)=O SBB061262 [1,0,0,0,0,0|1,0,0]=2 33 B6R0.4 CCCCC(C)O SBB061290 [1,0,0,0,0,0|1,0,1]=3 34 B6R0.4 CCCCC(N)=O SBB028169 [1,0,0,0,0,0|1,0,0]=2 35 B6R0.4 CCCCN(C)C SBB060243 [1,0,0,0,0,0|3,0,0]=4 36 B6R0.4 CCCNC(N)=O SBB028174 [1,0,0,0,0,0|2,0,0]=3 37 B6R0.4 CCCOC(C)=O SBB060305 [1,0,0,0,0,0|2,0,0]=3 38 B6R0.4 CCCOC(N)=O SBB000036 [1,0,0,0,0,0|2,0,0]=3 39 B6R0.4 CCOCC(=O)O SBB069120 [1,0,0,0,0,0|1,0,0]=2 40 B6R0.4 CCOCC(C)O SBB061006 [1,0,0,0,0,0|2,0,1]=4 41 B6R0.4 CCSCC(=O)O SBB047288 [1,0,0,0,0,0|1,0,0]=2 42 B6R0.4 CC\C=C\C(=O)O SBB061994 [1,0,0,0,0,0|0,0,2]=3 43 B6R0.4 CNCCC(N)=O SBB080375 [1,0,0,0,0,0|2,0,0]=3 44 B6R0.4 NCCCC(=O)O SBB028179 [1,0,0,0,0,0|1,0,0]=2 45 B6R0.4 O=C(Cl)CCCCl SBB060894 [1,0,0,0,0,0|2,0,0]=3 46 B6R0.4 O=C(O)CCCBr SBB065986 [1,0,0,0,0,0|1,0,0]=2 47 B6R0.6 C#CCCCCC SBB067441 [1,0,0,0,0,0|1,0,1]=3 48 B6R0.6 C#CCCCCO SBB015110 [1,0,0,0,0,0|0,0,3]=4 49 B6R0.6 C=CCCCCBr SBB054740 [1,0,0,0,0,0|2,0,0]=3 50 B6R0.6 C=CCCCCC SBB059882 [1,0,0,0,0,0|1,0,0]=2 51 B6R0.6 C=CCOCCO SBB060194 [1,0,0,0,0,0|3,0,0]=4 52 B6R0.6 CCCCCC#N SBB060051 [1,0,0,0,0,0|1,0,1]=3 53 B6R0.6 CCCCCCBr SBB059934 [1,0,0,0,0,0|1,0,1]=3 54 B6R0.6 CCCCCCCl SBB059952 [1,0,0,0,0,0|1,0,1]=3 55 B6R0.6 CCCCCCN SBB059984 [1,0,0,0,0,0|1,0,1]=3 56 B6R0.6 CCCCCCO SBB059899 [1,0,0,0,0,0|0,0,1]=2 57 B6R0.6 CCCCCOC SBB061300 [1,0,0,0,0,0|2,0,0]=3 58 B6R0.6 CCCCN=C=S SBB060985 [1,0,0,0,0,0|1,1,1]=4 59 B6R0.6 CCCCNC=O SBB060026 [1,0,0,0,0,0|1,0,0]=2 60 B6R0.6 CCCCOC=O SBB060300 [1,0,0,0,0,0|1,0,0]=2 61 B6R0.6 CCCCSC#N SBB056760 [1,0,0,0,0,0|2,0,1]=4 62 B6R0.6 CCCCSCC SBB061178 [1,0,0,0,0,0|2,0,1]=4 63 B6R0.6 CCCNCCC SBB059762 [1,0,0,0,0,0|2,0,1]=4 64 B6R0.6 CCCOCCO SBB061379 [1,0,0,0,0,0|1,0,1]=3 65 B6R0.6 CCCSCCC SBB061017 [1,0,0,0,0,0|2,0,1]=4 66 B6R0.6 CCCSCCO SBB058605 [1,0,0,0,0,0|1,0,1]=3 67 B6R0.6 CCC\C=C\C=O SBB067097 [1,0,0,0,0,0|0,0,2]=3 68 B6R0.6 CCNCCC#N SBB006528 [1,0,0,0,0,0|2,0,1]=4 69 B6R0.6 CCOCCC#N SBB067181 [1,0,0,0,0,0|2,0,1]=4 70 B6R0.6 CCOCCCN SBB028180 [1,0,0,0,0,0|2,0,1]=4 71 B6R0.6 CC\C=C/CCO SBB007739 [1,0,0,0,0,0|0,0,3]=4 72 B6R0.6 N#CCCCCCl SBB061418 [1,0,0,0,0,0|2,0,1]=4 73 B6R0.6 NCCCCCN SBB079706 [1,0,0,0,0,0|2,0,1]=4 74 B6R0.6 NCCNCCO SBB028183 [1,0,0,0,0,0|2,0,1]=4 75 B6R0.6 NCCOCCO SBB060906 [1,0,0,0,0,0|2,0,1]=4 76 B6R0.6 NCCSCCO SBB056468 [1,0,0,0,0,0|2,0,1]=4 77 B6R0.6 O=C=NCCCCl SBB068362 [1,0,0,0,0,0|2,0,1]=4 78 B6R0.6 OCCNCCO SBB059779 [1,0,0,0,0,0|2,0,1]=4 79 B6R0.6 OCCOCCCl SBB060189 [1,0,0,0,0,0|2,0,1]=4 80 B6R0.6 OCCSCCO SBB060117 [1,0,0,0,0,0|2,0,1]=4 81 B8R0.5 CCCC(C)CC(=O)O SBB061321 [0,1,0,0,0,0|0,0,0]=1 82 B8R0.5 CCOC(=O)CC(=O)Cl SBB056440 [0,1,0,0,0,0|2,0,1]=4 83 B8R0.5 CCOC(=O)CC(=O)O SBB066094 [0,1,0,0,0,0|1,0,1]=3 84 B8R0.5 CCOC(=O)CC(C)=O SBB040867 [0,1,0,0,0,0|2,0,1]=4 85 B8R0.6 C#CC(O)CCCCC SBB009107 [0,1,0,0,0,0|1,0,1]=3 86 B8R0.6 C=CCSCC(=O)OC SBB008000 [0,1,0,0,0,0|1,0,2]=4 87 B8R0.6 CCCC#CC(=O)OC SBB069575 [0,1,0,0,0,0|0,0,2]=3 88 B8R0.6 CCCCCC(=O)CC SBB060388 [0,1,0,0,0,0|1,0,0]=2 89 B8R0.6 CCCCCC(=O)NN SBB021010 [0,1,0,0,0,0|1,0,0]=2 90 B8R0.6 CCCCCC(=O)NO SBB008093 [0,1,0,0,0,0|0,0,0]=1 91 B8R0.6 CCCCCC(=O)OC SBB060591 [0,1,0,0,0,0|0,0,0]=1 92 B8R0.6 CCCCCC(Br)CBr SBB060499 [0,1,0,0,0,0|2,0,1]=4 93 B8R0.6 CCCCCC(O)CC SBB059904 [0,1,0,0,0,0|1,0,1]=3 94 B8R0.6 CCCCNC(=O)CCl SBB010319 [0,1,0,0,0,0|2,0,0]=3 95 B8R0.6 CCCCNC(=S)NN SBB017642 [0,1,0,0,0,0|2,1,0]=4 96 B8R0.6 CCCCOC(=O)CC SBB060578 [0,1,0,0,0,0|2,0,0]=3 97 B8R0.6 CCCCOC(=O)CCl SBB060760 [0,1,0,0,0,0|2,0,0]=3 98 B8R0.6 CCCCOC(=O)CF SBB085867 [0,1,0,0,0,0|2,0,0]=3 99 B8R0.6 CCCCOC(=O)CS SBB061004 [0,1,0,0,0,0|1,1,0]=3 100 B8R0.6 CCNCCC(=O)NN SBB046550 [0,1,0,0,0,0|2,0,0]=3 101 B8R0.6 CCOCCC(=O)NN SBB079954 [0,1,0,0,0,0|2,0,0]=3 102 B8R0.6 COC(=O)CCCCBr SBB070759 [0,1,0,0,0,0|1,0,0]=2 103 B8R0.6 COCCNC(=O)CCl SBB038704 [0,1,0,0,0,0|3,0,0]=4 104 B8R0.6 OCCCCC(O)CO SBB061014 [0,1,0,0,0,0|1,0,2]=4 105 B8R0.7 C#CCCCCC(=O)O SBB008797 [0,1,0,0,0,0|0,0,1]=2 106 B8R0.7 C=C(C)CSCCCC SBB061593 [0,1,0,0,0,0|2,0,0]=3 107 B8R0.7 C=CCNCCC(N)=O SBB116743 [0,1,0,0,0,0|1,0,2]=4 108 B8R0.7 CC(=O)CCCOC=O SBB001557 [0,1,0,0,0,0|2,0,1]=4 109 B8R0.7 CC(=O)OCCCCCl SBB059334 [0,1,0,0,0,0|2,0,0]=3 110 B8R0.7 CC(C)CCCCCBr SBB054753 [0,1,0,0,0,0|2,0,1]=4 111 B8R0.7 CCCCCCC(=O)Cl SBB060012 [0,1,0,0,0,0|1,0,0]=2 112 B8R0.7 CCCCCCC(=O)O SBB053587 [0,1,0,0,0,0|0,0,0]=1 113 B8R0.7 CCCCCCC(C)=O SBB060387 [0,1,0,0,0,0|1,0,0]=2 114 B8R0.7 CCCCCCC(C)Br SBB060198 [0,1,0,0,0,0|2,0,1]=4 115 B8R0.7 CCCCCCC(C)N SBB028238 [0,1,0,0,0,0|2,0,1]=4 116 B8R0.7 CCCCCCC(C)O SBB059903 [0,1,0,0,0,0|1,0,1]=3 117 B8R0.7 CCCCCCN(C)C SBB059990 [0,1,0,0,0,0|3,0,0]=4 118 B8R0.7 CCCCCOC(C)=O SBB060027 [0,1,0,0,0,0|1,0,0]=2 119 B8R0.7 CCCCNCC(C)C SBB059764 [0,1,0,0,0,0|2,0,1]=4 120 B8R0.7 CCCCNCC(C)O SBB059782 [0,1,0,0,0,0|1,0,1]=3 121 B8R0.7 CCCCSCC(=O)O SBB061205 [0,1,0,0,0,0|0,0,0]=1 122 B8R0.7 CCCNCCC(N)=O SBB116773 [0,1,0,0,0,0|1,0,0]=2 123 B8R0.7 CCOCCOC(C)=O SBB061000 [0,1,0,0,0,0|2,0,0]=3 124 B8R0.7 CN(C)CCCCCN SBB008565 [0,1,0,0,0,0|3,0,0]=4 125 B8R0.7 COCCOCC(=O)O SBB008497 [0,1,0,0,0,0|1,0,0]=2 126 B8R0.7 N#CCCNCC(=O)O SBB005852 [0,1,0,0,0,0|1,0,1]=3 127 B8R0.7 NC(=O)CCNCCO SBB116776 [0,1,0,0,0,0|2,0,0]=3 128 B8R0.7 NCCCCCC(=O)O SBB015068 [0,1,0,0,0,0|0,0,0]=1 129 B8R0.7 O=C(O)CCCCCBr SBB065783 [0,1,0,0,0,0|0,0,0]=1 130 B8R0.7 O=C(O)CCNCCO SBB079386 [0,1,0,0,0,0|1,0,0]=2 131 B8R0.7 [NH2+](CCCC)CC(C)C SBB061643 [0,1,0,0,0,0|2,0,1]=4 132 B8R0.8 CCCCC(=O)C(C)=O SBB008584 [0,1,0,0,0,0|1,0,1]=3 133 B8R0.8 CCCCC(Br)C(=O)O SBB069524 [0,1,0,0,0,0|0,0,0]=1 134 B8R0.8 CCCCC(C)C(=O)O SBB072714 [0,1,0,0,0,0|0,0,0]=1 135 B8R0.8 CCCCC(N)C(C)=O SBB014561 [0,1,0,0,0,0|1,0,0]=2 136 B8R0.8 CCCC[C@H](N)C(=O)O SBB065920 [0,1,0,0,0,0|0,0,0]=1 137 B8R0.8 NCCCC(N)C(=O)O SBB047988 [0,1,0,0,0,0|1,0,0]=2 138 B8R0.8 OC(=O)C(C)CCCCl SBB004068 [0,1,0,0,0,0|1,0,0]=2 139 B8R0.8 OC(=O)[C@@H](CCSC)N SBB006710 [0,1,0,0,0,0|1,0,0]=2 140 B8R0.8 [NH3+]CCCC(N)C(=O)O SBB061681 [0,1,0,0,0,0|1,0,0]=2 141 B8R0.9 CCC(=O)CCC(=O)O SBB072628 [0,1,0,0,0,0|0,0,1]=2 142 B8R0.9 CNC(=O)CCC(=O)O SBB007999 [0,1,0,0,0,0|1,0,1]=3 143 B8R0.9 COC(=O)CCC(=O)O SBB061270 [0,1,0,0,0,0|1,0,1]=3 144 B8R0.9 NCC(=O)CCC(=O)O SBB003880 [0,1,0,0,0,0|1,0,1]=3 145 B8R0.9 NCC(=O)CCC(=O)O SBB071696 [0,1,0,0,0,0|1,0,1]=3 146 B8R0.9 NCC(=O)NCC(=O)O SBB067231 [0,1,0,0,0,0|2,0,1]=4 147 B8R0.28 CC(=O)NCCC(=O)O SBB065847 [0,1,0,0,0,0|1,0,1]=3 148 B8R0.28 CC(=O)OCCC(C)C SBB040873 [0,1,0,0,0,0|2,0,0]=3 149 B8R0.28 CC(C)=CCCC(C)O SBB008067 [0,1,0,0,0,0|2,0,1]=4 150 B8R0.28 CC(C)CCCC(=O)O SBB072713 [0,1,0,0,0,0|0,0,0]=1 151 B8R0.28 CC(C)COCC(C)O SBB061009 [0,1,0,0,0,0|2,0,1]=4 152 B8R0.28 CC(O)CNCC(C)O SBB058768 [0,1,0,0,0,0|2,0,1]=4 153 B8R0.28 N=C(N)SCCC(=O)O SBB065969 [0,1,0,0,0,0|2,0,1]=4 154 B8R0.28 NC(=O)COCC(=O)O SBB046438 [0,1,0,0,0,0|2,0,1]=4 155 B8R0.28 O=C(O)CCCC(=O)O SBB060277 [0,1,0,0,0,0|1,0,1]=3 156 B8R0.28 O=C(O)CNCC(=O)O SBB028457 [0,1,0,0,0,0|2,0,1]=4 157 B8R0.28 O=C(O)COCC(=O)O SBB058774 [0,1,0,0,0,0|2,0,1]=4 158 B8R0.28 O=C(O)CSCC(=O)O SBB056921 [0,1,0,0,0,0|2,0,1]=4 159 B8R0.28 O=C([O-])COCC(=O)O SBB060676 [0,1,0,0,0,0|2,0,1]=4 160 B8R0.28 OC(=O)CCCN(C)C SBB005767 [0,1,0,0,0,0|1,0,0]=2 161 B8R0.28 [NH+](C)(C)CCCC(=O)O SBB058463 [0,1,0,0,0,0|1,0,0]=2 162 B8R1.1 CCC1COC(=O)O1 SBB008625 [0,0,0,1,0,0|1,0,0]=2 163 B8R1.1 NC1=NCC(CBr)O1 SBB010634 [0,0,0,1,0,0|3,0,0]=4 164 B8R1.1 O=C1C=C[C@H](CO)O1 SBB006580 [0,0,0,1,0,0|1,0,2]=4 165 B8R1.1 O=C1CCC(CCl)O1 SBB074378 [0,0,0,1,0,0|1,0,0]=2 166 B8R1.1 O=C1NCC(CBr)S1 SBB019210 [0,0,0,1,0,0|2,1,0]=4 167 B8R1.1 OC[C@@H]1CCC(=O)N1 SBB004302 [0,0,0,1,0,0|2,0,0]=3 168 B8R1.4 CC1=CC(=O)CCC1 SBB007736 [0,0,0,1,0,0|1,0,1]=3 169 B8R1.4 CC1CCCC(C)C1 SBB061164 [0,0,0,1,0,0|2,0,1]=4 170 B8R1.4 CC1CCCC(C)N1 SBB004313 [0,0,0,1,0,0|2,0,1]=4 171 B8R1.4 CC1CCCC(O)C1 SBB061310 [0,0,0,1,0,0|1,0,1]=3 172 B8R1.4 CC1CNCC(C)O1 SBB040955 [0,0,0,1,0,0|2,0,1]=4 173 B8R1.4 NC1=CC(=O)CCC1 SBB028190 [0,0,0,1,0,0|2,0,1]=4 174 B8R1.4 O=C1CCCC(=O)C1 SBB061546 [0,0,0,1,0,0|2,0,1]=4 175 B8R1.4 O=C1CCCC(=O)O1 SBB060010 [0,0,0,1,0,0|1,0,1]=3 176 B8R1.4 O=C1COCC(=O)O1 SBB060695 [0,0,0,1,0,0|2,0,1]=4 177 B8R1.4 O=C1CSCC(=O)O1 SBB085808 [0,0,0,1,0,0|2,0,1]=4 178 B8R1.7 N=C(N)C1CCCC1 SBB056275 [0,0,0,1,0,0|2,0,0]=3 179 B8R1.7 N=C(N)N1CCCC1 SBB056159 [0,0,0,1,0,0|3,0,0]=4 180 B8R1.7 NC(=O)C1CCCN1 SBB004067 [0,0,0,1,0,0|2,0,0]=3 181 B8R1.7 NC(=O)[C@@H]1CCCN1 SBB006531 [0,0,0,1,0,0|2,0,0]=3 182 B8R1.7 O=C(O)C1C=CCN1 SBB053088 [0,0,0,1,0,0|1,0,2]=4 183 B8R1.7 O=C(O)C1CC=CC1 SBB008010 [0,0,0,1,0,0|0,0,2]=3 184 B8R1.7 O=C(O)C1CCCC1 SBB065782 [0,0,0,1,0,0|0,0,0]=1 185 B8R1.7 O=C(O)C1CCCO1 SBB004298 [0,0,0,1,0,0|1,0,0]=2 186 B8R1.7 O=C(O)C1CCNC1 SBB053378 [0,0,0,1,0,0|1,0,0]=2 187 B8R1.7 O=C(O)C1CCNC1 SBB069272 [0,0,0,1,0,0|1,0,0]=2 188 B8R1.7 O=C(O)C1CCOC1 SBB053083 [0,0,0,1,0,0|1,0,0]=2 189 B8R1.7 O=C(O)[C@@H]1CSCN1 SBB015063 [0,0,0,1,0,0|2,0,0]=3 190 B8R1.7 O=C(O)[C@H]1CCCN1 SBB006712 [0,0,0,1,0,0|1,0,0]=2 191 B8R1.7 O=C(O)[C@H]1CCNC1 SBB065825 [0,0,0,1,0,0|1,0,0]=2 192 B8R1.7 OC(=O)C1SCCN1 SBB027340 [0,0,0,1,0,0|2,0,0]=3 193 B8R1.22 NC1CCCCCC1 SBB004311 [0,0,0,1,0,0|2,0,1]=4 194 B8R1.22 O=C1CCCCCC1 SBB060075 [0,0,0,1,0,0|1,0,0]=2 195 B8R1.22 O=C1CCCCCN1 SBB058658 [0,0,0,1,0,0|1,0,0]=2 196 B8R1.22 O=C1CCNCCN1 SBB056241 [0,0,0,1,0,0|2,0,0]=3 197 B8R1.22 O=S1OCCCCO1 SBB060665 [0,0,0,1,0,0|2,0,0]=3 198 B8R1.22 OC1CCCCCC1 SBB061138 [0,0,0,1,0,0|1,0,1]=3 199 B8R1.22 S=C1NCCCCN1 SBB085765 [0,0,0,1,0,0|2,1,0]=4 200 B8R1.34 O=C(O)CC1CCC1 SBB050298 [0,0,0,1,0,0|0,0,0]=1 201 B8R1.72 CC1(O)CCCCC1 SBB061165 [0,0,0,1,0,0|1,0,1]=3 202 B8R1.72 O=S1(=O)CCCCO1 SBB059317 [0,0,0,1,0,0|2,0,1]=4 203 B8R1.72 O=S1(=O)CCNCC1 SBB010267 [0,0,0,1,0,0|2,0,1]=4 204 B8R1.72 O=S1(=O)CCNCC1 SBB056140 [0,0,0,1,0,0|2,0,1]=4 205 B8R1.72 OC1(O)CCNCC1 SBB004037 [0,0,0,1,0,0|1,0,2]=4 206 B5R0.1 C#CCC(=O)O SBB116169 [2,0,0,0,0,0|0,0,2]=4 207 B5R0.1 CCCC(=O)Cl SBB040624 [2,0,0,0,0,0|1,0,0]=3 208 B5R0.1 CCOC(=O)Cl SBB040861 [2,0,0,0,0,0|2,0,0]=4 209 B5R0.1 COCC(=O)O SBB061376 [2,0,0,0,0,0|1,0,0]=3 210 B5R0.1 CSCC(=O)O SBB053570 [2,0,0,0,0,0|1,0,0]=3 211 B5R0.1 O=C(O)CCBr SBB065770 [2,0,0,0,0,0|1,0,0]=3 212 B5R0.1 O=C(O)CCCl SBB069140 [2,0,0,0,0,0|1,0,0]=3 213 B5R0.2 BrCCCCBr SBB060204 [2,0,0,0,0,0|2,0,0]=4 214 B5R0.2 CC#CCCO SBB009118 [2,0,0,0,0,0|0,0,2]=4 215 B5R0.2 CCC#CCO SBB009120 [2,0,0,0,0,0|0,0,2]=4 216 B5R0.2 CCCCCBr SBB059933 [2,0,0,0,0,0|1,0,0]=3 217 B5R0.2 CCCCCCl SBB059951 [2,0,0,0,0,0|1,0,0]=3 218 B5R0.2 CCOCCBr SBB008332 [2,0,0,0,0,0|2,0,0]=4 219 B5R0.2 CCOCCCl SBB061015 [2,0,0,0,0,0|2,0,0]=4 220 B5R0.2 CCOCCN SBB072161 [2,0,0,0,0,0|2,0,0]=4 221 B5R0.2 CCSCCN SBB017894 [2,0,0,0,0,0|2,0,0]=4 222 B5R0.2 CNCCCN SBB059823 [2,0,0,0,0,0|2,0,0]=4 223 B5R0.2 CSCCCO SBB056451 [2,0,0,0,0,0|1,0,0]=3 224 B5R0.2 FCCCCBr SBB087044 [2,0,0,0,0,0|2,0,0]=4 225 B5R0.2 NCCCCN SBB059998 [2,0,0,0,0,0|2,0,0]=4 226 B5R0.2 OCCCCCl SBB002444 [2,0,0,0,0,0|1,0,0]=3 227 B7R0.2 CCC(C)CC(=O)O SBB008180 [1,1,0,0,0,0|0,0,0]=2 228 B7R0.2 CCC(C)NC(N)=O SBB008605 [1,1,0,0,0,0|2,0,0]=4 229 B7R0.2 NC[C@@H](O)CC(=O)O SBB065945 [1,1,0,0,0,0|1,0,0]=3 230 B7R0.3 C=C(CC)CCCC SBB060475 [1,1,0,0,0,0|2,0,0]=4 231 B7R0.3 C=CC(O)CCCC SBB008778 [1,1,0,0,0,0|1,0,1]=4 232 B7R0.3 CCCCC(=O)NN SBB028196 [1,1,0,0,0,0|1,0,0]=3 233 B7R0.3 CCCNC(=O)CCl SBB016586 [1,1,0,0,0,0|2,0,0]=4 234 B7R0.3 CCCOC(=O)CCl SBB060962 [1,1,0,0,0,0|2,0,0]=4 235 B7R0.3 CCCOC(=O)CS SBB061003 [1,1,0,0,0,0|1,1,0]=4 236 B7R0.3 CCOCC(=O)NN SBB080108 [1,1,0,0,0,0|2,0,0]=4 237 B7R0.3 CNCCC(=O)NC SBB046578 [1,1,0,0,0,0|2,0,0]=4 238 B7R0.3 CNCCC(=O)NC SBB080433 [1,1,0,0,0,0|2,0,0]=4 239 B7R0.3 COC(=N)CCCCl SBB056505 [1,1,0,0,0,0|2,0,0]=4 240 B7R0.3 N(N)C(=O)CCOC SBB059492 [1,1,0,0,0,0|2,0,0]=4 241 B7R0.3 NNC(=O)CCCO SBB028199 [1,1,0,0,0,0|2,0,0]=4 242 B7R0.5 CCCC(Br)C(=O)O SBB065976 [1,1,0,0,0,0|0,0,0]=2 243 B7R0.5 CCCC(C)C(=O)O SBB065915 [1,1,0,0,0,0|0,0,0]=2 244 B7R0.5 CCCC(C)C(C)O SBB061491 [1,1,0,0,0,0|1,0,1]=4 245 B7R0.5 CCC[C@@H](N)C(=O)O SBB065919 [1,1,0,0,0,0|0,0,0]=2 246 B7R0.5 CC\C=C(/C)C(=O)O SBB069108 [1,1,0,0,0,0|0,0,2]=4 247 B7R0.5 CSC[C@H](N)C(=O)O SBB066379 [1,1,0,0,0,0|1,0,0]=3 248 B7R0.5 NC(CCO)C(=O)O SBB065734 [1,1,0,0,0,0|1,0,0]=3 249 B7R0.5 NC(CCS)C(=O)O SBB065757 [1,1,0,0,0,0|1,0,0]=3 250 B7R0.5 NCCC(N)C(=O)O SBB053580 [1,1,0,0,0,0|1,0,0]=3 251 B7R0.5 NCCC(N)C(=O)O SBB066000 [1,1,0,0,0,0|1,0,0]=3 252 B7R0.5 NCCC(O)C(=O)O SBB066010 [1,1,0,0,0,0|1,0,0]=3 253 B7R0.5 NCC[C@H](N)C(=O)O SBB003640 [1,1,0,0,0,0|1,0,0]=3 254 B7R0.5 OC(=O)[C@H](CC=C)N SBB006743 [1,1,0,0,0,0|0,0,2]=4 255 B7R0.6 CC(=O)CCC(=O)O SBB040561 [1,1,0,0,0,0|0,0,1]=3 256 B7R0.6 CC(=O)CCC(C)=O SBB040811 [1,1,0,0,0,0|1,0,1]=4 257 B7R0.6 CC(=O)NCC(=O)O SBB036034 [1,1,0,0,0,0|1,0,1]=4 258 B7R0.6 CC(C)CCC(=O)O SBB065829 [1,1,0,0,0,0|0,0,0]=2 259 B7R0.6 CC(C)CCC(C)O SBB061318 [1,1,0,0,0,0|1,0,1]=4 260 B7R0.6 CC(C)CNC(N)=O SBB008242 [1,1,0,0,0,0|2,0,0]=4 261 B7R0.6 CC(C)\C=C\C(=O)O SBB061966 [1,1,0,0,0,0|0,0,2]=4 262 B7R0.6 O=C(O)CCC(=O)O SBB040562 [1,1,0,0,0,0|1,0,1]=4 263 B7R0.8 CCCCS(=O)(=O)Cl SBB061680 [1,1,0,0,0,0|1,0,1]=4 264 B7R0.8 CNCCS(=O)(=O)O SBB072665 [1,1,0,0,0,0|2,0,0]=4 265 B7R0.8 NCCCP(=O)(O)O SBB004184 [1,1,0,0,0,0|2,0,0]=4 266 B7R0.1 BrCCCCCCBr SBB060205 [1,1,0,0,0,0|1,0,1]=4 267 B7R0.1 C#CCNCCCC SBB300093 [1,1,0,0,0,0|1,0,1]=4 268 B7R0.1 C=CCCCCCC SBB059884 [1,1,0,0,0,0|1,0,0]=3 269 B7R0.1 C=CCSCCCC SBB058522 [1,1,0,0,0,0|1,0,0]=3 270 B7R0.1 CCCC#CCCO SBB008799 [1,1,0,0,0,0|0,0,2]=4 271 B7R0.1 CCCCC#CCO SBB008796 [1,1,0,0,0,0|0,0,2]=4 272 B7R0.1 CCCCCCC#N SBB060052 [1,1,0,0,0,0|1,0,1]=4 273 B7R0.1 CCCCCCCBr SBB059936 [1,1,0,0,0,0|1,0,1]=4 274 B7R0.1 CCCCCCCCl SBB059954 [1,1,0,0,0,0|1,0,1]=4 275 B7R0.1 CCCCCCCN SBB059985 [1,1,0,0,0,0|1,0,1]=4 276 B7R0.1 CCCCCCOC SBB061157 [1,1,0,0,0,0|0,0,1]=3 277 B7R0.1 CCCCCN=C=S SBB085742 [1,1,0,0,0,0|0,1,1]=4 278 B7R0.1 CCCCCOC=O SBB060301 [1,1,0,0,0,0|0,0,0]=2 279 B7R0.1 CCCCCSC#N SBB060089 [1,1,0,0,0,0|1,0,1]=4 280 B7R0.1 CCCCNCCC SBB059822 [1,1,0,0,0,0|1,0,1]=4 281 B7R0.1 CCCCOCCBr SBB007731 [1,1,0,0,0,0|1,0,1]=4 282 B7R0.1 CCCCOCCCl SBB059964 [1,1,0,0,0,0|1,0,1]=4 283 B7R0.1 CCCCOCCO SBB059918 [1,1,0,0,0,0|0,0,1]=3 284 B7R0.1 CCCCSCCN SBB072659 [1,1,0,0,0,0|1,0,1]=4 285 B7R0.1 CCCCSCCO SBB013616 [1,1,0,0,0,0|0,0,1]=3 286 B7R0.1 CCCCSCCS SBB057435 [1,1,0,0,0,0|0,1,1]=4 287 B7R0.1 CCCNCCC#N SBB059761 [1,1,0,0,0,0|1,0,1]=4 288 B7R0.1 CCCOCCCN SBB056585 [1,1,0,0,0,0|1,0,1]=4 289 B7R0.1 CCNCCCCO SBB052126 [1,1,0,0,0,0|0,0,1]=3 290 B7R0.1 COCCOCCO SBB059920 [1,1,0,0,0,0|1,0,1]=4 291 B7R0.1 COCCSCCO SBB061070 [1,1,0,0,0,0|1,0,1]=4 292 B7R0.1 C\C=C\CCCCC SBB059885 [1,1,0,0,0,0|1,0,0]=3 293 B7R0.1 ClCCCCCCCl SBB060213 [1,1,0,0,0,0|1,0,1]=4 294 B7R0.1 N#CCCCCCBr SBB058579 [1,1,0,0,0,0|1,0,1]=4 295 B7R0.1 NCCCCCCN SBB059999 [1,1,0,0,0,0|1,0,1]=4 296 B7R0.1 NCCCNCCO SBB059810 [1,1,0,0,0,0|1,0,1]=4 297 B7R0.1 OCCCCCCBr SBB054752 [1,1,0,0,0,0|0,0,1]=3 298 B7R0.1 OCCCCCCCl SBB060188 [1,1,0,0,0,0|0,0,1]=3 299 B7R0.1 OCCCCCCN SBB006584 [1,1,0,0,0,0|0,0,1]=3 300 B7R0.1 OCCCCCCO SBB059915 [1,1,0,0,0,0|0,0,1]=3 301 B7R0.1 OCCCCCCS SBB058615 [1,1,0,0,0,0|0,0,1]=3 302 B7R0.7 CCCC(N)CCC SBB018801 [1,1,0,0,0,0|1,0,1]=4 303 B7R0.7 CCCC(O)CCC SBB061327 [1,1,0,0,0,0|1,0,1]=4 304 B7R0.7 CCNC(C)CCO SBB046562 [1,1,0,0,0,0|1,0,1]=4 305 B9R0.4 COCCN(C)CC(=O)O SBB046598 [0,2,0,0,0,0|1,0,0]=3 306 B9R0.14 CCCC(CC)OC(C)=O SBB060029 [0,2,0,0,0,0|2,0,0]=4 307 B9R0.23 O=C(O)CC(Br)C(=O)CBr SBB074340 [0,2,0,0,0,0|1,0,1]=4 308 B9R0.53 CC(CC(=O)O)CC(=O)O SBB069122 [0,2,0,0,0,0|1,0,1]=4 309 B9R0.1 CC(C)CCOC(=O)CCl SBB060961 [0,2,0,0,0,0|2,0,0]=4 310 B9R0.1 CCC(C)NCCC(N)=O SBB116742 [0,2,0,0,0,0|1,0,0]=3 311 B9R0.1 COC(=O)CCCC(=O)Cl SBB067933 [0,2,0,0,0,0|1,0,1]=4 312 B9R0.1 COC(=O)CCCC(=O)O SBB007943 [0,2,0,0,0,0|0,0,1]=3 313 B9R0.1 COC(=O)CCC[N+](=O)[O-] SBB013240 [0,2,0,0,0,0|2,0,0]=4 314 B9R0.1 COC(=O)\C=C\CC(C)C SBB054119 [0,2,0,0,0,0|0,0,2]=4 315 B9R0.5 CCCC#CC(=O)OCC SBB008805 [0,2,0,0,0,0|0,0,2]=4 316 B9R0.5 CCCCCC(=O)CCC SBB005828 [0,2,0,0,0,0|1,0,0]=3 317 B9R0.5 CCCCCC(=O)OCC SBB060316 [0,2,0,0,0,0|0,0,0]=2 318 B9R0.5 CCCCOC(=O)CCC SBB061107 [0,2,0,0,0,0|2,0,0]=4 319 B9R0.5 CCOC(=O)CCCCBr SBB070781 [0,2,0,0,0,0|1,0,0]=3 320 B9R0.8 COC(=O)C(N)CCCN SBB072642 [0,2,0,0,0,0|1,0,0]=3 321 B9R0.8 COC(=O)C(N)CCSC SBB003548 [0,2,0,0,0,0|1,0,0]=3 322 B9R0.8 N[C@@H](CCSC)C(=O)OC SBB005764 [0,2,0,0,0,0|1,0,0]=3 323 B9R0.24 COC(=O)CCC(=O)OC SBB040934 [0,2,0,0,0,0|1,0,1]=4 324 B9R0.46 CCCCC#CC(=O)OC SBB009075 [0,2,0,0,0,0|0,0,1]=3 325 B9R0.46 CCCCCCC(=O)CC SBB007744 [0,2,0,0,0,0|1,0,0]=3 326 B9R0.46 CCCCCCC(=O)NN SBB021011 [0,2,0,0,0,0|1,0,0]=3 327 B9R0.46 CCCCCCC(=O)OC SBB060317 [0,2,0,0,0,0|0,0,0]=2 328 B9R0.46 CCCCCNC(=O)CCl SBB017391 [0,2,0,0,0,0|1,0,0]=3 329 B9R0.46 CCCCCOC(=O)CC SBB058817 [0,2,0,0,0,0|1,0,0]=3 330 B9R0.46 CCCCCOC(=O)CCl SBB060707 [0,2,0,0,0,0|1,0,0]=3 331 B9R0.46 CCCCCOC(=O)CS SBB061204 [0,2,0,0,0,0|0,1,0]=3 332 B9R0.46 CCCCOCC(O)CC SBB061149 [0,2,0,0,0,0|1,0,1]=4 333 B9R0.46 CCCCOCC(O)CCl SBB059972 [0,2,0,0,0,0|1,0,1]=4 334 B9R0.46 CCCCOCC(O)CO SBB060185 [0,2,0,0,0,0|0,0,2]=4 335 B9R0.46 COC(=O)CCCCCN SBB003739 [0,2,0,0,0,0|0,0,0]=2 336 B9R0.46 COCCCNC(=O)CCl SBB017961 [0,2,0,0,0,0|2,0,0]=4 337 B9R0.46 NNC(=O)CCCCCO SBB072600 [0,2,0,0,0,0|1,0,0]=3 338 B9R0.47 CCCCCC(=O)N(C)C SBB008014 [0,2,0,0,0,0|1,0,0]=3 339 B9R0.47 CCCCNC(=O)N(C)C SBB008135 [0,2,0,0,0,0|2,0,0]=4 340 B9R0.47 CCCCOC(=O)C(C)Cl SBB056574 [0,2,0,0,0,0|2,0,0]=4 341 B9R0.47 CCCCOC(=O)C(C)O SBB061171 [0,2,0,0,0,0|1,0,0]=3 342 B9R0.47 CCCCOC(=O)C(F)Cl SBB088217 [0,2,0,0,0,0|2,0,0]=4 343 B9R0.47 CCCCOC(=O)C(F)F SBB086822 [0,2,0,0,0,0|2,0,0]=4 344 B9R0.47 NCCCC[C@@H](N)C(=O)O SBB003731 [0,2,0,0,0,0|0,0,0]=2 345 B9R0.47 NCCCC[C@@H](N)C(=O)O SBB062859 [0,2,0,0,0,0|0,0,0]=2 346 B9R0.47 NCCCC[C@H](N)C(=O)O SBB062982 [0,2,0,0,0,0|0,0,0]=2 347 B9R0.50 CCCCCC(CO)CO SBB059213 [0,2,0,0,0,0|0,0,2]=4 348 B9R0.2 CC(=O)OCCOCCCl SBB060310 [0,2,0,0,0,0|2,0,0]=4 349 B9R0.2 CCCCCCCC(=O)Cl SBB060013 [0,2,0,0,0,0|1,0,0]=3 350 B9R0.2 CCCCCCCC(=O)O SBB060020 [0,2,0,0,0,0|0,0,0]=2 351 B9R0.2 CCCCCCCC(C)=O SBB061540 [0,2,0,0,0,0|1,0,0]=3 352 B9R0.2 CCCCCCCC(C)O SBB008521 [0,2,0,0,0,0|1,0,1]=4 353 B9R0.2 CCCCCCCC(N)=O SBB061055 [0,2,0,0,0,0|1,0,0]=3 354 B9R0.2 CCCCCCNC(N)=S SBB028342 [0,2,0,0,0,0|1,1,0]=4 355 B9R0.2 CCCCCCOC(C)=O SBB060306 [0,2,0,0,0,0|1,0,0]=3 356 B9R0.2 CCCCSCCC(=O)O SBB001705 [0,2,0,0,0,0|0,0,0]=2 357 B9R0.2 CCOCCOCC(C)O SBB061150 [0,2,0,0,0,0|1,0,1]=4 358 B9R0.2 COCCNCCC(N)=O SBB116772 [0,2,0,0,0,0|1,0,0]=3 359 B9R0.2 NCCCCCCC(=O)O SBB072673 [0,2,0,0,0,0|0,0,0]=2 360 B9R0.2 O=C(O)CCCCCCO SBB059715 [0,2,0,0,0,0|0,0,0]=2 361 B9R0.2 [NH2+]=C(N)SCCCCCC SBB060417 [0,2,0,0,0,0|2,0,0]=4 362 B9R0.38 CCCCCCP(=O)(O)O SBB057477 [0,2,0,0,0,0|1,0,0]=3 363 B9R0.48 CCCC(=O)CCC(C)=O SBB008161 [0,2,0,0,0,0|1,0,0]=3 364 B9R0.48 OC(=O)CSC(=S)OCC SBB058117 [0,2,0,0,0,0|1,0,1]=4 365 B9R0.55 CC(=O)CCCCC(=O)O SBB068339 [0,2,0,0,0,0|0,0,0]=2 366 B9R0.55 CC(=O)CCCOC(C)=O SBB001556 [0,2,0,0,0,0|1,0,1]=4 367 B9R0.55 CC(=O)NCCCC(=O)O SBB028464 [0,2,0,0,0,0|0,0,1]=3 368 B9R0.55 CC(C)CCCCC(=O)O SBB065917 [0,2,0,0,0,0|0,0,0]=2 369 B9R0.55 NC(=O)CCCCC(N)=O SBB040916 [0,2,0,0,0,0|1,0,1]=4 370 B9R0.55 NC(=O)NCCCC(=O)O SBB027988 [0,2,0,0,0,0|1,0,1]=4 371 B9R0.55 O=C(Cl)CCCCC(=O)Cl SBB058892 [0,2,0,0,0,0|1,0,1]=4 372 B9R0.55 O=C(O)CCCCC(=O)O SBB040846 [0,2,0,0,0,0|0,0,1]=3 373 B9R0.7 CC(S)C(=O)NCC(=O)O SBB057668 [0,2,0,0,0,0|1,0,1]=4 374 B9R0.7 CN(C)C(=O)CCC(=O)O SBB008073 [0,2,0,0,0,0|1,0,1]=4 375 B9R0.7 C[S+](C)CCC(N)C(=O)O SBB067713 [0,2,0,0,0,0|1,0,0]=3 376 B9R0.7 NC(CCC(=O)O)C(=O)O SBB067835 [0,2,0,0,0,0|1,0,1]=4 377 B9R0.7 N[C@H](CCC(=O)O)C(=O)O SBB006707 [0,2,0,0,0,0|1,0,1]=4 378 B9R0.7 N[C@H](CCC(=O)O)C(=O)O SBB008782 [0,2,0,0,0,0|1,0,1]=4 379 B9R0.7 OC(=O)C(CCS(C)=O)N SBB012363 [0,2,0,0,0,0|1,0,0]=3 380 B9R0.7 OC(=O)C(CC[S+](C)C)N SBB017051 [0,2,0,0,0,0|1,0,0]=3 381 B9R0.7 OC(=O)[C@@H](CC[S+](C)C)N SBB017003 [0,2,0,0,0,0|1,0,0]=3 382 B9R0.7 [C@@H](N)(CCC(N)=O)C(=O)O SBB058732 [0,2,0,0,0,0|1,0,1]=4 383 B9R0.13 CCCCC(CC)C(=O)Cl SBB058897 [0,2,0,0,0,0|1,0,0]=3 384 B9R0.13 CCCCC(CC)C(=O)O SBB060021 [0,2,0,0,0,0|0,0,0]=2 385 B9R0.13 CCCCC(CC)C(N)=O SBB061054 [0,2,0,0,0,0|1,0,0]=3 386 B9R0.42 COC(=O)C[C@H](N)C(=O)O SBB065788 [0,2,0,0,0,0|1,0,1]=4 387 B9R0.56 CC(C)(C)NCCC(N)=O SBB116748 [0,2,0,0,0,0|2,0,0]=4 388 B9R0.56 CC(C)(C)SCCC(=O)O SBB019266 [0,2,0,0,0,0|1,0,0]=3 389 B9R0.56 CC(N)CCCC(C)(C)O SBB003737 [0,2,0,0,0,0|1,0,1]=4 390 B9R0.56 OC(C)(C)CCCC(C)N SBB004116 [0,2,0,0,0,0|1,0,1]=4 391 B7R1.2 O=C1CCC(=O)O1 SBB040819 [1,0,0,1,0,0|1,0,1]=4 392 B7R1.3 O=C1C=CCCC1 SBB008209 [1,0,0,1,0,0|1,0,1]=4 393 B7R1.3 O=C1CCCCC1 SBB060074 [1,0,0,1,0,0|1,0,0]=3 394 B7R1.3 O=C1CCCCO1 SBB060349 [1,0,0,1,0,0|0,0,0]=2 395 B7R1.3 O=C1CCOCC1 SBB049627 [1,0,0,1,0,0|2,0,0]=4 396 B7R1.3 O=C1CCSCC1 SBB048121 [1,0,0,1,0,0|2,0,0]=4 397 B7R1.3 O=C1CNCCN1 SBB000034 [1,0,0,1,0,0|2,0,0]=4 398 B7R1.3 OC1CCCCC1 SBB060483 [1,0,0,1,0,0|1,0,1]=4 399 B7R1.3 OC1CCCCO1 SBB055947 [1,0,0,1,0,0|0,0,2]=4 400 B7R1.7 CCCCC1CO1 SBB017137 [1,0,0,1,0,0|1,0,1]=4 401 B7R1.10 O=C1CC(CO)C1 SBB054867 [1,0,0,1,0,0|2,0,0]=4 402 B7R1.12 C[C@H]1C[C@H]1C(=O)O SBB069055 [1,0,0,1,0,0|0,0,0]=2 403 B7R1.14 O=S1(=O)CCCC1 SBB057389 [1,0,0,1,0,0|1,0,1]=4 404 B7R1.18 NC(=O)C1CCC1 SBB111823 [1,0,0,1,0,0|1,0,0]=3 405 B7R1.18 O=C(Cl)C1CCC1 SBB007882 [1,0,0,1,0,0|1,0,0]=3 406 B7R1.18 O=C(O)C1CCC1 SBB053465 [1,0,0,1,0,0|0,0,0]=2 407 B7R1.18 O=C(O)C1CCN1 SBB053470 [1,0,0,1,0,0|1,0,0]=3 408 B7R1.18 O=C(O)C1CNC1 SBB027353 [1,0,0,1,0,0|1,0,0]=3 409 B7R1.18 O=C(O)[C@@H]1CCN1 SBB004365 [1,0,0,1,0,0|1,0,0]=3 410 B7R1.20 O=C(O)CC1CC1 SBB005442 [1,0,0,1,0,0|0,0,0]=2 411 B7R1.1 BrCC1CCCC1 SBB054968 [1,0,0,1,0,0|1,0,1]=4 412 B7R1.1 BrCC1CCCO1 SBB003909 [1,0,0,1,0,0|1,0,1]=4 413 B7R1.1 ClCC1CCCO1 SBB008957 [1,0,0,1,0,0|1,0,1]=4 414 B7R1.1 N#CC1CCCC1 SBB008886 [1,0,0,1,0,0|1,0,1]=4 415 B7R1.1 NCC1CCCO1 SBB028168 [1,0,0,1,0,0|1,0,1]=4 416 B7R1.1 NNC1CCCC1 SBB301621 [1,0,0,1,0,0|2,0,0]=4 417 B7R1.1 O=CC1CCCC1 SBB069481 [1,0,0,1,0,0|0,0,0]=2 418 B7R1.1 O=CC1CCOC1 SBB052278 [1,0,0,1,0,0|1,0,0]=3 419 B7R1.1 OCC1CCCC1 SBB008516 [1,0,0,1,0,0|0,0,1]=3 420 B7R1.1 OCC1CCCO1 SBB058567 [1,0,0,1,0,0|1,0,1]=4 421 B7R1.1 OCC1CCNC1 SBB046413 [1,0,0,1,0,0|1,0,1]=4 422 B7R1.1 OC[C@H]1CCCN1 SBB027252 [1,0,0,1,0,0|1,0,1]=4 423 B7R1.1 ON=C1CCCC1 SBB060393 [1,0,0,1,0,0|1,0,1]=4 424 B7R1.4 CN1CCCC1=O SBB060297 [1,0,0,1,0,0|1,0,0]=3 425 B7R1.4 NC1CCOC1=O SBB004366 [1,0,0,1,0,0|2,0,0]=4 426 B7R1.4 NC1CCOC1=O SBB057192 [1,0,0,1,0,0|2,0,0]=4 427 B7R1.4 NC1CCSC1=O SBB004035 [1,0,0,1,0,0|2,0,0]=4 428 B7R1.4 O=C1OCCC1Br SBB083094 [1,0,0,1,0,0|2,0,0]=4 429 B7R1.4 OC1CCCC1Cl SBB060196 [1,0,0,1,0,0|1,0,1]=4 430 B7R1.4 O[C@H]1CCC[C@H]1O SBB008502 [1,0,0,1,0,0|1,0,1]=4 431 B7R1.6 N#CCC1CCC1 SBB071683 [1,0,0,1,0,0|1,0,1]=4 432 B7R1.24 C1=CCCCCC1 SBB059889 [1,0,0,1,0,0|1,0,0]=3 433 B7R1.24 C1CCCCCC1 SBB060406 [1,0,0,1,0,0|1,0,1]=4 434 B7R1.24 C1CNCCOC1 SBB049498 [1,0,0,1,0,0|1,0,1]=4 435 B7R1.24 N1CCCCCC1 SBB027297 [1,0,0,1,0,0|1,0,1]=4 436 B9R1.7 CCCC1=NNC(=O)C1 SBB116793 [0,1,0,1,0,0|1,0,1]=4 437 B9R1.7 CCCC1OCC(C)O1 SBB060973 [0,1,0,1,0,0|1,0,1]=4 438 B9R1.7 CNCC1CC(C)=NO1 SBB027045 [0,1,0,1,0,0|2,0,0]=4 439 B9R1.13 CC(=O)CC1CCCC1 SBB008343 [0,1,0,1,0,0|1,0,0]=3 440 B9R1.13 CC(=O)OC1CCCC1 SBB060737 [0,1,0,1,0,0|1,0,0]=3 441 B9R1.13 CC(O)CN1CCCC1 SBB056722 [0,1,0,1,0,0|1,0,1]=4 442 B9R1.13 O=C(Cl)CC1CCCC1 SBB116687 [0,1,0,1,0,0|1,0,0]=3 443 B9R1.13 O=C(Cl)OC1CCCC1 SBB056243 [0,1,0,1,0,0|1,0,0]=3 444 B9R1.13 O=C(O)CC1CCCC1 SBB080711 [0,1,0,1,0,0|0,0,0]=2 445 B9R1.13 O=C(O)CC1CCCO1 SBB002788 [0,1,0,1,0,0|0,0,0]=2 446 B9R1.13 O=C(O)CN1CCCC1 SBB017909 [0,1,0,1,0,0|0,0,0]=2 447 B9R1.13 O=C(O)C[C@@H]1CCCN1 SBB066746 [0,1,0,1,0,0|0,0,0]=2 448 B9R1.34 CC1=CC(O)CC(=O)O1 SBB055955 [0,1,0,1,0,0|0,0,2]=4 449 B9R1.34 CC1CC(=O)CC(=O)C1 SBB042020 [0,1,0,1,0,0|1,0,1]=4 450 B9R1.34 CC1CC(=O)CC(C)O1 SBB056218 [0,1,0,1,0,0|2,0,0]=4 451 B9R1.38 CC1CC(C)S(=O)(=O)C1 SBB058474 [0,1,0,1,0,0|1,0,1]=4 452 B9R1.41 CN1CCCC1C(=O)O SBB108828 [0,1,0,1,0,0|0,0,0]=2 453 B9R1.48 O=C1CCCCC(=O)C1 SBB056238 [0,1,0,1,0,0|1,0,1]=4 454 B9R1.66 CC1(C)CC(=O)CCO1 SBB048828 [0,1,0,1,0,0|2,0,0]=4 455 B9R1.1 CCC1CCC(=O)CC1 SBB059272 [0,1,0,1,0,0|1,0,0]=3 456 B9R1.1 CCC1CCC(O)CC1 SBB058793 [0,1,0,1,0,0|1,0,1]=4 457 B9R1.1 CCN1CCC(=O)CC1 SBB061714 [0,1,0,1,0,0|2,0,0]=4 458 B9R1.1 O=C1CCC(CO)CC1 SBB054860 [0,1,0,1,0,0|2,0,0]=4 459 B9R1.2 CCN1CCCC(=O)C1 SBB056089 [0,1,0,1,0,0|1,0,0]=3 460 B9R1.2 O=C1CCCC(CO)C1 SBB054862 [0,1,0,1,0,0|1,0,0]=3 461 B9R1.3 CC1CCCC(C)C1=O SBB059688 [0,1,0,1,0,0|1,0,1]=4 462 B9R1.5 CN1CCCCCC1=O SBB056535 [0,1,0,1,0,0|1,0,0]=3 463 B9R1.5 NC1CCCCNC1=O SBB056282 [0,1,0,1,0,0|1,0,0]=3 464 B9R1.5 N[C@H]1CSCCNC1=O SBB069999 [0,1,0,1,0,0|2,0,0]=4 465 B9R1.5 O=C1CCCCCN1Br SBB057855 [0,1,0,1,0,0|1,0,0]=3 466 B9R1.11 COC(=O)C1CCCC1 SBB071502 [0,1,0,1,0,0|0,0,0]=2 467 B9R1.11 COC(=O)C1CCCN1 SBB046302 [0,1,0,1,0,0|1,0,0]=3 468 B9R1.11 COC(=O)C1CCCN1 SBB054027 [0,1,0,1,0,0|1,0,0]=3 469 B9R1.11 COC(=O)[C@@H]1CCCN1 SBB003904 [0,1,0,1,0,0|1,0,0]=3 470 B9R1.11 NNC(=O)C1CCCC1 SBB046301 [0,1,0,1,0,0|1,0,0]=3 471 B9R1.11 O=C(CCl)N1CCCC1 SBB005370 [0,1,0,1,0,0|2,0,0]=4 472 B9R1.50 O=C1CCCCCCC1 SBB008888 [0,1,0,1,0,0|1,0,0]=3 473 B9R1.50 OC1CCCCCCC1 SBB058905 [0,1,0,1,0,0|1,0,1]=4 474 B9R1.80 O=C(CCl)NCC1CC1 SBB085411 [0,1,0,1,0,0|2,0,0]=4 475 B9R1.89 O=CC1CCCCCC1 SBB059644 [0,1,0,1,0,0|1,0,1]=4 476 B9R1.118 C#CC1(O)CCCCC1 SBB008829 [0,1,0,1,0,0|1,0,1]=4 477 B9R1.118 OC1(CN)CCCCC1 SBB005863 [0,1,0,1,0,0|1,0,1]=4 478 B9R1.118 OCC1(F)CCCCC1 SBB054863 [0,1,0,1,0,0|1,0,1]=4 479 B9R1.6 CC(=O)C1CCOCC1 SBB055952 [0,1,0,1,0,0|1,0,0]=3 480 B9R1.6 CC(=O)N1CCNCC1 SBB027339 [0,1,0,1,0,0|2,0,0]=4 481 B9R1.6 N=C(N)N1CCCCC1 SBB056068 [0,1,0,1,0,0|2,0,0]=4 482 B9R1.6 N=C(N)N1CCCCC1 SBB056091 [0,1,0,1,0,0|2,0,0]=4 483 B9R1.6 NC(=O)C1CC=CCC1 SBB056263 [0,1,0,1,0,0|1,0,1]=4 484 B9R1.6 NC(=O)C1CCCCC1 SBB008414 [0,1,0,1,0,0|1,0,0]=3 485 B9R1.6 NC(=O)C1CCCCN1 SBB085724 [0,1,0,1,0,0|1,0,0]=3 486 B9R1.6 NC(=O)C1CCCNC1 SBB004239 [0,1,0,1,0,0|1,0,0]=3 487 B9R1.6 NC(=O)C1CCCOC1 SBB047762 [0,1,0,1,0,0|1,0,0]=3 488 B9R1.6 NC(=O)C1CCNCC1 SBB004237 [0,1,0,1,0,0|1,0,0]=3 489 B9R1.6 NC(=O)C1CCOCC1 SBB055946 [0,1,0,1,0,0|1,0,0]=3 490 B9R1.6 NC(=O)C1CNCCN1 SBB056122 [0,1,0,1,0,0|2,0,0]=4 491 B9R1.6 NC(=O)N1CCNCC1 SBB010258 [0,1,0,1,0,0|2,0,0]=4 492 B9R1.6 NC(=O)N1CCNCC1 SBB087950 [0,1,0,1,0,0|2,0,0]=4 493 B9R1.6 NC(=S)N1CCCCC1 SBB028272 [0,1,0,1,0,0|1,1,0]=4 494 B9R1.6 O=C(Cl)C1CC=CCC1 SBB053674 [0,1,0,1,0,0|1,0,1]=4 495 B9R1.6 O=C(Cl)C1CCCCC1 SBB040626 [0,1,0,1,0,0|1,0,0]=3 496 B9R1.6 O=C(Cl)C1CCOCC1 SBB062712 [0,1,0,1,0,0|1,0,0]=3 497 B9R1.6 O=C(Cl)N1CCOCC1 SBB061723 [0,1,0,1,0,0|2,0,0]=4 498 B9R1.6 O=C(O)C1CCCCC1 SBB008550 [0,1,0,1,0,0|0,0,0]=2 499 B9R1.6 O=C(O)C1CCCCO1 SBB027215 [0,1,0,1,0,0|0,0,0]=2 500 B9R1.6 O=C(O)C1CCCNC1 SBB027313 [0,1,0,1,0,0|0,0,0]=2 501 B9R1.6 O=C(O)C1CCCOC1 SBB014997 [0,1,0,1,0,0|0,0,0]=2 502 B9R1.6 O=C(O)C1CCNCC1 SBB003906 [0,1,0,1,0,0|0,0,0]=2 503 B9R1.6 O=C(O)C1CCNCC1 SBB004231 [0,1,0,1,0,0|0,0,0]=2 504 B9R1.6 O=C(O)C1CCOCC1 SBB027643 [0,1,0,1,0,0|0,0,0]=2 505 B9R1.6 O=C(O)C1CCSCC1 SBB053436 [0,1,0,1,0,0|0,0,0]=2 506 B9R1.6 O=C(O)C1CCSCN1 SBB014841 [0,1,0,1,0,0|1,0,0]=3 507 B9R1.6 O=C(O)C1CNCCO1 SBB053358 [0,1,0,1,0,0|1,0,0]=3 508 B9R1.6 O=C(O)C1CNCCS1 SBB053351 [0,1,0,1,0,0|1,0,0]=3 509 B9R1.6 O=C(O)C1CSCCN1 SBB053350 [0,1,0,1,0,0|1,0,0]=3 510 B9R1.6 O=C(O)[C@@H]1CCCCN1 SBB006732 [0,1,0,1,0,0|0,0,0]=2 511 B9R1.6 OB(O)C1CCCCC1 SBB052596 [0,1,0,1,0,0|1,0,1]=4 512 B9R1.6 OC(=O)C1=CCCCC1 SBB006589 [0,1,0,1,0,0|0,0,1]=3 513 B9R1.6 OC(=O)C1CC=CCC1 SBB006583 [0,1,0,1,0,0|0,0,1]=3 514 B9R1.6 OC(=O)C1CNCCN1 SBB004226 [0,1,0,1,0,0|1,0,0]=3 515 B9R1.83 CCCCCCC1CO1 SBB017138 [0,1,0,1,0,0|1,0,1]=4 516 B9R1.83 CCCCOCC1CO1 SBB060096 [0,1,0,1,0,0|1,0,1]=4 517 B9R1.84 O=C(O)CCC1CCC1 SBB072391 [0,1,0,1,0,0|0,0,0]=2 518 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 SBB004222 [0,1,0,1,0,0|1,0,0]=3 519 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 SBB053386 [0,1,0,1,0,0|1,0,0]=3 520 B9R1.35 O=C1CCC(C(=O)O)C1 SBB069114 [0,1,0,1,0,0|0,0,1]=3 521 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 SBB004232 [0,1,0,1,0,0|1,0,1]=4 522 B9R1.112 N[C@@H](CC1CC1)C(=O)O SBB065934 [0,1,0,1,0,0|0,0,0]=2 523 B9R1.163 CC1(C(=O)O)CCCO1 SBB012745 [0,1,0,1,0,0|1,0,0]=3 524 B9R1.163 OC(=O)C1(N)CCCC1 SBB004230 [0,1,0,1,0,0|0,0,0]=2 525 B9R1.19 O=S(=O)(Cl)C1CCCC1 SBB061213 [0,1,0,1,0,0|1,0,1]=4 526 B9R2.39 O=C1CC2CCC1C2 SBB072159 [0,0,0,2,0,0|1,0,0]=3