0 B7R0.4 C#CCCCC(=O)O SBB009090 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.4 CC(C)CCCCBr SBB008833 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.4 CC(C)OCCCN SBB061717 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.4 CC(Cl)COCCCl SBB056511 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.4 CCC#CCN(C)C SBB008768 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.4 CCCC#CC(=O)O SBB009091 [0,0,0,0,0,0|1,0,2]=3 6 B7R0.4 CCCCCC(=O)Cl SBB060011 [0,0,0,0,0,0|1,0,0]=1 7 B7R0.4 CCCCCC(=O)O SBB053586 [0,0,0,0,0,0|1,0,0]=1 8 B7R0.4 CCCCCC(C)=O SBB061125 [0,0,0,0,0,0|0,0,0]=0 9 B7R0.4 CCCCCC(N)=O SBB061056 [0,0,0,0,0,0|1,0,0]=1 10 B7R0.4 CCCCNC(N)=S SBB028242 [0,0,0,0,0,0|2,1,0]=3 11 B7R0.4 CCCCOC(Cl)Cl SBB060510 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.4 CCCCOC(N)=O SBB060819 [0,0,0,0,0,0|2,0,0]=2 13 B7R0.4 CCCOCC(C)O SBB061007 [0,0,0,0,0,0|1,0,2]=3 14 B7R0.4 CCC\C=C\C(=O)O SBB009088 [0,0,0,0,0,0|1,0,2]=3 15 B7R0.4 CCOCCC(=O)O SBB053607 [0,0,0,0,0,0|2,0,0]=2 16 B7R0.4 CN(C)CCCC#N SBB072052 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.4 CN(C)CCCCN SBB008514 [0,0,0,0,0,0|3,0,0]=3 18 B7R0.4 CNCCCN(C)C SBB052125 [0,0,0,0,0,0|3,0,0]=3 19 B7R0.4 COCCNC(C)C SBB302570 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.4 COCCNC(N)=S SBB017633 [0,0,0,0,0,0|3,1,0]=4 21 B7R0.4 COCCOC(C)=O SBB060999 [0,0,0,0,0,0|2,0,0]=2 22 B7R0.4 NCCCCC(=O)O SBB061559 [0,0,0,0,0,0|2,0,0]=2 23 B7R0.4 O=C(O)CCCCBr SBB061343 [0,0,0,0,0,0|2,0,0]=2 24 B7R0.4 O=C(O)CCCCCl SBB061215 [0,0,0,0,0,0|2,0,0]=2 25 B7R0.4 OC(=O)C\C=C/CC SBB006610 [0,0,0,0,0,0|1,0,2]=3 26 B7R0.4 [NH2+]=C(N)SCCCC SBB060794 [0,0,0,0,0,0|3,0,0]=3 27 B6R0.4 C#CCCC(=O)O SBB009121 [1,0,0,0,0,0|1,0,2]=4 28 B6R0.4 C=CCCC(=O)O SBB061214 [1,0,0,0,0,0|1,0,2]=4 29 B6R0.4 C=CCCC(C)=O SBB009089 [1,0,0,0,0,0|0,0,2]=3 30 B6R0.4 CC(=O)NCCCl SBB008165 [1,0,0,0,0,0|2,0,0]=3 31 B6R0.4 CC(=O)NCCN SBB028176 [1,0,0,0,0,0|2,0,0]=3 32 B6R0.4 CC(=O)NCCO SBB007954 [1,0,0,0,0,0|2,0,0]=3 33 B6R0.4 CC(=O)OCCCl SBB058505 [1,0,0,0,0,0|2,0,0]=3 34 B6R0.4 CCC#CC(C)=O SBB009086 [1,0,0,0,0,0|0,0,2]=3 35 B6R0.4 CCCCC(=O)O SBB053585 [1,0,0,0,0,0|1,0,0]=2 36 B6R0.4 CCCCC(C)=O SBB061262 [1,0,0,0,0,0|0,0,0]=1 37 B6R0.4 CCCCC(C)O SBB061290 [1,0,0,0,0,0|0,0,2]=3 38 B6R0.4 CCCCC(N)=O SBB028169 [1,0,0,0,0,0|1,0,0]=2 39 B6R0.4 CCCCN(C)C SBB060243 [1,0,0,0,0,0|2,0,0]=3 40 B6R0.4 CCCNC(N)=O SBB028174 [1,0,0,0,0,0|2,0,0]=3 41 B6R0.4 CCCOC(C)=O SBB060305 [1,0,0,0,0,0|1,0,0]=2 42 B6R0.4 CCCOC(N)=O SBB000036 [1,0,0,0,0,0|2,0,0]=3 43 B6R0.4 CCOCC(=O)O SBB069120 [1,0,0,0,0,0|2,0,0]=3 44 B6R0.4 CCOCC(C)O SBB061006 [1,0,0,0,0,0|1,0,2]=4 45 B6R0.4 CCSCC(=O)O SBB047288 [1,0,0,0,0,0|2,0,0]=3 46 B6R0.4 CC\C=C\C(=O)O SBB061994 [1,0,0,0,0,0|1,0,2]=4 47 B6R0.4 CN(C)CCCN SBB028177 [1,0,0,0,0,0|3,0,0]=4 48 B6R0.4 CNCCC(N)=O SBB080375 [1,0,0,0,0,0|2,0,0]=3 49 B6R0.4 NCCCC(=O)O SBB028179 [1,0,0,0,0,0|2,0,0]=3 50 B6R0.4 O=C(Cl)CCCCl SBB060894 [1,0,0,0,0,0|2,0,0]=3 51 B6R0.4 O=C(O)CCCBr SBB065986 [1,0,0,0,0,0|2,0,0]=3 52 B6R0.6 C#CCCCCC SBB067441 [1,0,0,0,0,0|0,0,2]=3 53 B6R0.6 C#CCCCCO SBB015110 [1,0,0,0,0,0|1,0,2]=4 54 B6R0.6 C=CCCCCBr SBB054740 [1,0,0,0,0,0|1,0,1]=3 55 B6R0.6 C=CCCCCC SBB059882 [1,0,0,0,0,0|0,0,1]=2 56 B6R0.6 C=CCOCCO SBB060194 [1,0,0,0,0,0|2,0,1]=4 57 B6R0.6 CCCCCC#N SBB060051 [1,0,0,0,0,0|1,0,1]=3 58 B6R0.6 CCCCCCBr SBB059934 [1,0,0,0,0,0|1,0,1]=3 59 B6R0.6 CCCCCCCl SBB059952 [1,0,0,0,0,0|1,0,1]=3 60 B6R0.6 CCCCCCN SBB059984 [1,0,0,0,0,0|1,0,1]=3 61 B6R0.6 CCCCCCO SBB059899 [1,0,0,0,0,0|0,0,2]=3 62 B6R0.6 CCCCCOC SBB061300 [1,0,0,0,0,0|1,0,0]=2 63 B6R0.6 CCCCN=C=S SBB060985 [1,0,0,0,0,0|1,1,1]=4 64 B6R0.6 CCCCNC=O SBB060026 [1,0,0,0,0,0|1,0,0]=2 65 B6R0.6 CCCCOC=O SBB060300 [1,0,0,0,0,0|1,0,0]=2 66 B6R0.6 CCCCSC#N SBB056760 [1,0,0,0,0,0|2,0,1]=4 67 B6R0.6 CCCCSCC SBB061178 [1,0,0,0,0,0|1,0,1]=3 68 B6R0.6 CCCNCCC SBB059762 [1,0,0,0,0,0|1,0,1]=3 69 B6R0.6 CCCOCCO SBB061379 [1,0,0,0,0,0|1,0,2]=4 70 B6R0.6 CCCSCCC SBB061017 [1,0,0,0,0,0|1,0,1]=3 71 B6R0.6 CCCSCCO SBB058605 [1,0,0,0,0,0|1,0,2]=4 72 B6R0.6 CCC\C=C\C=O SBB067097 [1,0,0,0,0,0|0,0,2]=3 73 B6R0.6 CCNCCC#N SBB006528 [1,0,0,0,0,0|2,0,1]=4 74 B6R0.6 CCOCCC#N SBB067181 [1,0,0,0,0,0|2,0,1]=4 75 B6R0.6 CCOCCCN SBB028180 [1,0,0,0,0,0|2,0,1]=4 76 B6R0.6 N#CCCCCCl SBB061418 [1,0,0,0,0,0|2,0,1]=4 77 B6R0.6 NCCCCCN SBB079706 [1,0,0,0,0,0|2,0,1]=4 78 B6R0.6 O=C=NCCCCl SBB068362 [1,0,0,0,0,0|2,0,1]=4 79 B8R0.5 CCCC(C)CC(=O)O SBB061321 [0,1,0,0,0,0|1,0,0]=2 80 B8R0.5 CCOC(=O)CC(=O)Cl SBB056440 [0,1,0,0,0,0|2,0,1]=4 81 B8R0.5 CCOC(=O)CC(=O)O SBB066094 [0,1,0,0,0,0|2,0,1]=4 82 B8R0.5 CCOC(=O)CC(C)=O SBB040867 [0,1,0,0,0,0|1,0,1]=3 83 B8R0.6 C#CC(O)CCCCC SBB009107 [0,1,0,0,0,0|0,0,3]=4 84 B8R0.6 C=CCSCC(=O)OC SBB008000 [0,1,0,0,0,0|1,0,2]=4 85 B8R0.6 CCCC#CC(=O)OC SBB069575 [0,1,0,0,0,0|0,0,2]=3 86 B8R0.6 CCCCCC(=O)CC SBB060388 [0,1,0,0,0,0|0,0,0]=1 87 B8R0.6 CCCCCC(=O)NN SBB021010 [0,1,0,0,0,0|1,0,0]=2 88 B8R0.6 CCCCCC(=O)NO SBB008093 [0,1,0,0,0,0|1,0,0]=2 89 B8R0.6 CCCCCC(=O)OC SBB060591 [0,1,0,0,0,0|0,0,0]=1 90 B8R0.6 CCCCCC(Br)CBr SBB060499 [0,1,0,0,0,0|1,0,1]=3 91 B8R0.6 CCCCCC(O)CC SBB059904 [0,1,0,0,0,0|0,0,2]=3 92 B8R0.6 CCCCNC(=O)CCl SBB010319 [0,1,0,0,0,0|1,0,0]=2 93 B8R0.6 CCCCNC(=S)NN SBB017642 [0,1,0,0,0,0|2,1,0]=4 94 B8R0.6 CCCCOC(=O)CC SBB060578 [0,1,0,0,0,0|1,0,0]=2 95 B8R0.6 CCCCOC(=O)CCl SBB060760 [0,1,0,0,0,0|1,0,0]=2 96 B8R0.6 CCCCOC(=O)CF SBB085867 [0,1,0,0,0,0|1,0,0]=2 97 B8R0.6 CCCCOC(=O)CS SBB061004 [0,1,0,0,0,0|1,0,0]=2 98 B8R0.6 CCNCCC(=O)NN SBB046550 [0,1,0,0,0,0|2,0,0]=3 99 B8R0.6 CCOCCC(=O)NN SBB079954 [0,1,0,0,0,0|2,0,0]=3 100 B8R0.6 COC(=O)CCCCBr SBB070759 [0,1,0,0,0,0|1,0,0]=2 101 B8R0.6 COCCNC(=O)CCl SBB038704 [0,1,0,0,0,0|2,0,0]=3 102 B8R0.6 OCCCCC(O)CO SBB061014 [0,1,0,0,0,0|1,0,2]=4 103 B8R0.7 C#CCCCCC(=O)O SBB008797 [0,1,0,0,0,0|1,0,1]=3 104 B8R0.7 C=C(C)CSCCCC SBB061593 [0,1,0,0,0,0|1,0,0]=2 105 B8R0.7 C=CCNCCC(N)=O SBB116743 [0,1,0,0,0,0|1,0,2]=4 106 B8R0.7 CC(=O)CCCOC=O SBB001557 [0,1,0,0,0,0|1,0,1]=3 107 B8R0.7 CC(=O)OCCCCCl SBB059334 [0,1,0,0,0,0|1,0,0]=2 108 B8R0.7 CC(C)CCCCCBr SBB054753 [0,1,0,0,0,0|1,0,1]=3 109 B8R0.7 CC(C)CNCCCO SBB301242 [0,1,0,0,0,0|2,0,1]=4 110 B8R0.7 CCCCCCC(=O)Cl SBB060012 [0,1,0,0,0,0|1,0,0]=2 111 B8R0.7 CCCCCCC(=O)O SBB053587 [0,1,0,0,0,0|1,0,0]=2 112 B8R0.7 CCCCCCC(C)=O SBB060387 [0,1,0,0,0,0|0,0,0]=1 113 B8R0.7 CCCCCCC(C)Br SBB060198 [0,1,0,0,0,0|1,0,1]=3 114 B8R0.7 CCCCCCC(C)N SBB028238 [0,1,0,0,0,0|1,0,1]=3 115 B8R0.7 CCCCCCC(C)O SBB059903 [0,1,0,0,0,0|0,0,2]=3 116 B8R0.7 CCCCCCN(C)C SBB059990 [0,1,0,0,0,0|2,0,0]=3 117 B8R0.7 CCCCCOC(C)=O SBB060027 [0,1,0,0,0,0|0,0,0]=1 118 B8R0.7 CCCCNCC(C)C SBB059764 [0,1,0,0,0,0|1,0,1]=3 119 B8R0.7 CCCCNCC(C)O SBB059782 [0,1,0,0,0,0|0,0,2]=3 120 B8R0.7 CCCCSCC(=O)O SBB061205 [0,1,0,0,0,0|1,0,0]=2 121 B8R0.7 CCCNCCC(N)=O SBB116773 [0,1,0,0,0,0|1,0,0]=2 122 B8R0.7 CCOCCOC(C)=O SBB061000 [0,1,0,0,0,0|1,0,0]=2 123 B8R0.7 CN(C)CCCCC#N SBB072265 [0,1,0,0,0,0|2,0,1]=4 124 B8R0.7 CN(C)CCCCCN SBB008565 [0,1,0,0,0,0|2,0,0]=3 125 B8R0.7 CN(C)CCOCCO SBB056528 [0,1,0,0,0,0|3,0,0]=4 126 B8R0.7 COCCOCC(=O)O SBB008497 [0,1,0,0,0,0|2,0,0]=3 127 B8R0.7 N#CCCNCC(=O)O SBB005852 [0,1,0,0,0,0|2,0,1]=4 128 B8R0.7 NC(=O)CCNCCO SBB116776 [0,1,0,0,0,0|2,0,0]=3 129 B8R0.7 NCCCCCC(=O)O SBB015068 [0,1,0,0,0,0|1,0,0]=2 130 B8R0.7 O=C(O)CCCCCBr SBB065783 [0,1,0,0,0,0|1,0,0]=2 131 B8R0.7 O=C(O)CCNCCO SBB079386 [0,1,0,0,0,0|2,0,0]=3 132 B8R0.7 [NH2+](CCCC)CC(C)C SBB061643 [0,1,0,0,0,0|1,0,1]=3 133 B8R0.8 CC(=O)N(C)CCC#N SBB001628 [0,1,0,0,0,0|2,0,1]=4 134 B8R0.8 CCCCC(=O)C(C)=O SBB008584 [0,1,0,0,0,0|0,0,1]=2 135 B8R0.8 CCCCC(=O)N(C)C SBB007992 [0,1,0,0,0,0|2,0,1]=4 136 B8R0.8 CCCCC(Br)C(=O)O SBB069524 [0,1,0,0,0,0|1,0,0]=2 137 B8R0.8 CCCCC(C)C(=O)O SBB072714 [0,1,0,0,0,0|1,0,0]=2 138 B8R0.8 CCCCC(N)C(C)=O SBB014561 [0,1,0,0,0,0|0,0,0]=1 139 B8R0.8 CCCC[C@H](N)C(=O)O SBB065920 [0,1,0,0,0,0|1,0,0]=2 140 B8R0.8 NCCCC(N)C(=O)O SBB047988 [0,1,0,0,0,0|2,0,0]=3 141 B8R0.8 OC(=O)C(C)CCCCl SBB004068 [0,1,0,0,0,0|2,0,0]=3 142 B8R0.8 OC(=O)[C@@H](CCSC)N SBB006710 [0,1,0,0,0,0|2,0,0]=3 143 B8R0.8 [NH3+]CCCC(N)C(=O)O SBB061681 [0,1,0,0,0,0|2,0,0]=3 144 B8R0.9 CCC(=O)CCC(=O)O SBB072628 [0,1,0,0,0,0|1,0,1]=3 145 B8R0.9 CNC(=O)CCC(=O)O SBB007999 [0,1,0,0,0,0|2,0,1]=4 146 B8R0.9 COC(=O)CCC(=O)O SBB061270 [0,1,0,0,0,0|2,0,1]=4 147 B8R0.9 NCC(=O)CCC(=O)O SBB003880 [0,1,0,0,0,0|2,0,1]=4 148 B8R0.9 NCC(=O)CCC(=O)O SBB071696 [0,1,0,0,0,0|2,0,1]=4 149 B8R0.28 CC(=O)NCCC(=O)O SBB065847 [0,1,0,0,0,0|2,0,1]=4 150 B8R0.28 CC(=O)OCCC(C)C SBB040873 [0,1,0,0,0,0|1,0,0]=2 151 B8R0.28 CC(=O)OCOC(C)=O SBB061325 [0,1,0,0,0,0|2,0,1]=4 152 B8R0.28 CC(C)=CCCC(C)O SBB008067 [0,1,0,0,0,0|1,0,1]=3 153 B8R0.28 CC(C)CCCC(=O)O SBB072713 [0,1,0,0,0,0|1,0,0]=2 154 B8R0.28 CC(C)CNCC(C)C SBB058770 [0,1,0,0,0,0|2,0,1]=4 155 B8R0.28 CC(C)COCC(C)C SBB061320 [0,1,0,0,0,0|2,0,1]=4 156 B8R0.28 CC(C)COCC(C)O SBB061009 [0,1,0,0,0,0|1,0,2]=4 157 B8R0.28 CC(C)CSCC(C)C SBB061180 [0,1,0,0,0,0|2,0,1]=4 158 B8R0.28 CC(O)CNCC(C)O SBB058768 [0,1,0,0,0,0|1,0,2]=4 159 B8R0.28 O=C(O)CCCC(=O)O SBB060277 [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|2,0,0]=3 161 B8R0.28 [NH+](C)(C)CCCC(=O)O SBB058463 [0,1,0,0,0,0|2,0,0]=3 162 B8R1.1 CCC1COC(=O)O1 SBB008625 [0,0,0,1,0,0|2,0,0]=3 163 B8R1.1 CN1CCC(CCl)C1 SBB012983 [0,0,0,1,0,0|3,0,0]=4 164 B8R1.1 CNC1CCN(C)C1 SBB052021 [0,0,0,1,0,0|3,0,0]=4 165 B8R1.1 O=C1CCC(CCl)O1 SBB074378 [0,0,0,1,0,0|2,0,0]=3 166 B8R1.1 O=C1NCC(CBr)S1 SBB019210 [0,0,0,1,0,0|3,0,0]=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|0,0,2]=3 169 B8R1.4 CC1CCCC(C)C1 SBB061164 [0,0,0,1,0,0|1,0,1]=3 170 B8R1.4 CC1CCCC(C)N1 SBB004313 [0,0,0,1,0,0|1,0,1]=3 171 B8R1.4 CC1CCCC(O)C1 SBB061310 [0,0,0,1,0,0|0,0,2]=3 172 B8R1.4 CC1CCNC(C)C1 SBB004310 [0,0,0,1,0,0|2,0,1]=4 173 B8R1.4 CC1CNCC(C)C1 SBB027312 [0,0,0,1,0,0|2,0,1]=4 174 B8R1.4 CC1CNCC(C)O1 SBB040955 [0,0,0,1,0,0|1,0,2]=4 175 B8R1.4 CN1CCCC(N)C1 SBB047756 [0,0,0,1,0,0|2,0,1]=4 176 B8R1.4 C[C@H]1CNC[C@@H](C)N1 SBB056139 [0,0,0,1,0,0|2,0,1]=4 177 B8R1.4 NC1=CC(=O)CCC1 SBB028190 [0,0,0,1,0,0|1,0,2]=4 178 B8R1.4 O=C1CCCC(=O)C1 SBB061546 [0,0,0,1,0,0|1,0,1]=3 179 B8R1.4 O=C1CCCC(=O)O1 SBB060010 [0,0,0,1,0,0|2,0,1]=4 180 B8R1.7 CC(N)C1CCCO1 SBB020137 [0,0,0,1,0,0|2,0,1]=4 181 B8R1.7 N=C(N)C1CCCC1 SBB056275 [0,0,0,1,0,0|2,0,0]=3 182 B8R1.7 N=C(N)N1CCCC1 SBB056159 [0,0,0,1,0,0|3,0,0]=4 183 B8R1.7 NC(=O)C1CCCN1 SBB004067 [0,0,0,1,0,0|2,0,0]=3 184 B8R1.7 NC(=O)[C@@H]1CCCN1 SBB006531 [0,0,0,1,0,0|2,0,0]=3 185 B8R1.7 O=C(O)C1CC=CC1 SBB008010 [0,0,0,1,0,0|1,0,2]=4 186 B8R1.7 O=C(O)C1CCCC1 SBB065782 [0,0,0,1,0,0|1,0,0]=2 187 B8R1.7 O=C(O)C1CCCO1 SBB004298 [0,0,0,1,0,0|2,0,0]=3 188 B8R1.7 O=C(O)C1CCNC1 SBB053378 [0,0,0,1,0,0|2,0,0]=3 189 B8R1.7 O=C(O)C1CCNC1 SBB069272 [0,0,0,1,0,0|2,0,0]=3 190 B8R1.7 O=C(O)C1CCOC1 SBB053083 [0,0,0,1,0,0|2,0,0]=3 191 B8R1.7 O=C(O)[C@@H]1CSCN1 SBB015063 [0,0,0,1,0,0|3,0,0]=4 192 B8R1.7 O=C(O)[C@H]1CCCN1 SBB006712 [0,0,0,1,0,0|2,0,0]=3 193 B8R1.7 O=C(O)[C@H]1CCNC1 SBB065825 [0,0,0,1,0,0|2,0,0]=3 194 B8R1.7 OC(=O)C1SCCN1 SBB027340 [0,0,0,1,0,0|3,0,0]=4 195 B8R1.22 CN1CCCNCC1 SBB056191 [0,0,0,1,0,0|3,0,0]=4 196 B8R1.22 NC1CCCCCC1 SBB004311 [0,0,0,1,0,0|1,0,1]=3 197 B8R1.22 O=C1CCCCCC1 SBB060075 [0,0,0,1,0,0|0,0,0]=1 198 B8R1.22 O=C1CCCCCN1 SBB058658 [0,0,0,1,0,0|1,0,0]=2 199 B8R1.22 O=C1CCNCCN1 SBB056241 [0,0,0,1,0,0|2,0,0]=3 200 B8R1.22 O=S1OCCCCO1 SBB060665 [0,0,0,1,0,0|3,0,0]=4 201 B8R1.22 OC1CCCCCC1 SBB061138 [0,0,0,1,0,0|0,0,2]=3 202 B8R1.22 S=C1NCCCCN1 SBB085765 [0,0,0,1,0,0|2,1,0]=4 203 B8R1.34 O=C(O)CC1CCC1 SBB050298 [0,0,0,1,0,0|1,0,0]=2 204 B8R1.35 CC(C)NCC1CC1 SBB080386 [0,0,0,1,0,0|2,0,1]=4 205 B8R1.36 CCCNCC1CC1 SBB042821 [0,0,0,1,0,0|2,0,1]=4 206 B8R1.72 CC1(C)CCCNC1 SBB027276 [0,0,0,1,0,0|2,0,1]=4 207 B8R1.72 CC1(O)CCCCC1 SBB061165 [0,0,0,1,0,0|0,0,2]=3 208 B8R1.72 C[N+]1(C)CCOCC1 SBB057461 [0,0,0,1,0,0|3,0,0]=4 209 B8R1.72 C[N+]1([O-])CCOCC1 SBB058349 [0,0,0,1,0,0|2,0,1]=4 210 B8R1.72 O=S1(=O)CCCCO1 SBB059317 [0,0,0,1,0,0|3,0,0]=4 211 B8R1.72 O=S1(=O)CCNCC1 SBB010267 [0,0,0,1,0,0|3,0,0]=4 212 B8R1.72 O=S1(=O)CCNCC1 SBB056140 [0,0,0,1,0,0|3,0,0]=4 213 B5R0.1 CC(=O)CC#N SBB014113 [2,0,0,0,0,0|1,0,1]=4 214 B5R0.1 CCCC(=O)Cl SBB040624 [2,0,0,0,0,0|1,0,0]=3 215 B5R0.1 CCOC(=O)Cl SBB040861 [2,0,0,0,0,0|2,0,0]=4 216 B5R0.1 COCC(=O)O SBB061376 [2,0,0,0,0,0|2,0,0]=4 217 B5R0.1 CS(=O)CCN SBB050811 [2,0,0,0,0,0|2,0,0]=4 218 B5R0.1 CSCC(=O)O SBB053570 [2,0,0,0,0,0|2,0,0]=4 219 B5R0.1 O=C(O)CCBr SBB065770 [2,0,0,0,0,0|2,0,0]=4 220 B5R0.1 O=C(O)CCCl SBB069140 [2,0,0,0,0,0|2,0,0]=4 221 B5R0.2 BrCCCCBr SBB060204 [2,0,0,0,0,0|2,0,0]=4 222 B5R0.2 CCCCCBr SBB059933 [2,0,0,0,0,0|1,0,0]=3 223 B5R0.2 CCCCCCl SBB059951 [2,0,0,0,0,0|1,0,0]=3 224 B5R0.2 CCNNCC SBB069584 [2,0,0,0,0,0|2,0,0]=4 225 B5R0.2 CCOCCBr SBB008332 [2,0,0,0,0,0|2,0,0]=4 226 B5R0.2 CCOCCCl SBB061015 [2,0,0,0,0,0|2,0,0]=4 227 B5R0.2 CCOCCN SBB072161 [2,0,0,0,0,0|2,0,0]=4 228 B5R0.2 CCSCCN SBB017894 [2,0,0,0,0,0|2,0,0]=4 229 B5R0.2 CNCCCN SBB059823 [2,0,0,0,0,0|2,0,0]=4 230 B5R0.2 CSCCCO SBB056451 [2,0,0,0,0,0|1,0,1]=4 231 B5R0.2 FCCCCBr SBB087044 [2,0,0,0,0,0|2,0,0]=4 232 B5R0.2 NCCCCN SBB059998 [2,0,0,0,0,0|2,0,0]=4 233 B5R0.2 OCCCCCl SBB002444 [2,0,0,0,0,0|1,0,1]=4 234 B7R0.2 CCC(C)CC(=O)O SBB008180 [1,1,0,0,0,0|1,0,0]=3 235 B7R0.2 CCC(C)NC(N)=O SBB008605 [1,1,0,0,0,0|2,0,0]=4 236 B7R0.2 CCC(O)CN(C)C SBB061151 [1,1,0,0,0,0|2,0,0]=4 237 B7R0.2 COC(=O)CC(C)=O SBB060889 [1,1,0,0,0,0|1,0,1]=4 238 B7R0.2 NC[C@@H](O)CC(=O)O SBB065945 [1,1,0,0,0,0|2,0,0]=4 239 B7R0.3 C=C(CC)CCCC SBB060475 [1,1,0,0,0,0|1,0,0]=3 240 B7R0.3 CCC(=O)OCCCl SBB060315 [1,1,0,0,0,0|2,0,0]=4 241 B7R0.3 CCCCC(=O)NN SBB028196 [1,1,0,0,0,0|1,0,0]=3 242 B7R0.3 CCCCC(Cl)CCl SBB060394 [1,1,0,0,0,0|1,0,1]=4 243 B7R0.3 CCCNC(=O)CCl SBB016586 [1,1,0,0,0,0|1,0,0]=3 244 B7R0.3 CCCOC(=O)CCl SBB060962 [1,1,0,0,0,0|1,0,0]=3 245 B7R0.3 CCCOC(=O)CS SBB061003 [1,1,0,0,0,0|1,0,0]=3 246 B7R0.3 CCOCC(=O)NN SBB080108 [1,1,0,0,0,0|2,0,0]=4 247 B7R0.3 CNCCC(=O)NC SBB046578 [1,1,0,0,0,0|1,0,0]=3 248 B7R0.3 CNCCC(=O)NC SBB080433 [1,1,0,0,0,0|1,0,0]=3 249 B7R0.3 COC(=N)CCCCl SBB056505 [1,1,0,0,0,0|2,0,0]=4 250 B7R0.3 N(N)C(=O)CCOC SBB059492 [1,1,0,0,0,0|2,0,0]=4 251 B7R0.3 NNC(=O)CCCO SBB028199 [1,1,0,0,0,0|2,0,0]=4 252 B7R0.3 O=C(CCl)OCCCl SBB061273 [1,1,0,0,0,0|2,0,0]=4 253 B7R0.5 CCCC(Br)C(=O)O SBB065976 [1,1,0,0,0,0|1,0,0]=3 254 B7R0.5 CCCC(C)C(=O)O SBB065915 [1,1,0,0,0,0|1,0,0]=3 255 B7R0.5 CCCC(C)C(C)O SBB061491 [1,1,0,0,0,0|0,0,2]=4 256 B7R0.5 CCC[C@@H](N)C(=O)O SBB065919 [1,1,0,0,0,0|1,0,0]=3 257 B7R0.5 CSC[C@H](N)C(=O)O SBB066379 [1,1,0,0,0,0|2,0,0]=4 258 B7R0.5 NC(CCO)C(=O)O SBB065734 [1,1,0,0,0,0|2,0,0]=4 259 B7R0.5 NC(CCS)C(=O)O SBB065757 [1,1,0,0,0,0|2,0,0]=4 260 B7R0.5 NCCC(N)C(=O)O SBB053580 [1,1,0,0,0,0|2,0,0]=4 261 B7R0.5 NCCC(N)C(=O)O SBB066000 [1,1,0,0,0,0|2,0,0]=4 262 B7R0.5 NCCC(O)C(=O)O SBB066010 [1,1,0,0,0,0|2,0,0]=4 263 B7R0.5 NCC[C@H](N)C(=O)O SBB003640 [1,1,0,0,0,0|2,0,0]=4 264 B7R0.6 CC(=O)CCC(=O)O SBB040561 [1,1,0,0,0,0|1,0,1]=4 265 B7R0.6 CC(=O)CCC(C)=O SBB040811 [1,1,0,0,0,0|0,0,1]=3 266 B7R0.6 CC(C)CCC(=O)O SBB065829 [1,1,0,0,0,0|1,0,0]=3 267 B7R0.6 CC(C)CCC(C)N SBB008544 [1,1,0,0,0,0|1,0,1]=4 268 B7R0.6 CC(C)CCC(C)O SBB061318 [1,1,0,0,0,0|0,0,2]=4 269 B7R0.6 CC(C)CNC(N)=O SBB008242 [1,1,0,0,0,0|2,0,0]=4 270 B7R0.8 CCCCS(=O)(=O)Cl SBB061680 [1,1,0,0,0,0|2,0,0]=4 271 B7R0.8 [NH3+]CCCS(C)(=O)=O SBB088827 [1,1,0,0,0,0|2,0,0]=4 272 B7R0.1 BrCCCCCCBr SBB060205 [1,1,0,0,0,0|1,0,1]=4 273 B7R0.1 C#CCNCCCC SBB300093 [1,1,0,0,0,0|0,0,2]=4 274 B7R0.1 C=CCCCCCC SBB059884 [1,1,0,0,0,0|0,0,1]=3 275 B7R0.1 C=CCSCCCC SBB058522 [1,1,0,0,0,0|0,0,1]=3 276 B7R0.1 CCCCC#CCO SBB008796 [1,1,0,0,0,0|0,0,2]=4 277 B7R0.1 CCCCCCC#N SBB060052 [1,1,0,0,0,0|0,0,2]=4 278 B7R0.1 CCCCCCCBr SBB059936 [1,1,0,0,0,0|0,0,1]=3 279 B7R0.1 CCCCCCCCl SBB059954 [1,1,0,0,0,0|0,0,1]=3 280 B7R0.1 CCCCCCCN SBB059985 [1,1,0,0,0,0|0,0,1]=3 281 B7R0.1 CCCCCCOC SBB061157 [1,1,0,0,0,0|0,0,1]=3 282 B7R0.1 CCCCCN=C=S SBB085742 [1,1,0,0,0,0|0,1,1]=4 283 B7R0.1 CCCCCOC=O SBB060301 [1,1,0,0,0,0|0,0,0]=2 284 B7R0.1 CCCCCSC#N SBB060089 [1,1,0,0,0,0|1,0,1]=4 285 B7R0.1 CCCCNCCC SBB059822 [1,1,0,0,0,0|0,0,1]=3 286 B7R0.1 CCCCOCCBr SBB007731 [1,1,0,0,0,0|1,0,1]=4 287 B7R0.1 CCCCOCCCl SBB059964 [1,1,0,0,0,0|1,0,1]=4 288 B7R0.1 CCCCOCCO SBB059918 [1,1,0,0,0,0|0,0,2]=4 289 B7R0.1 CCCCSCCN SBB072659 [1,1,0,0,0,0|1,0,1]=4 290 B7R0.1 CCCCSCCO SBB013616 [1,1,0,0,0,0|0,0,2]=4 291 B7R0.1 CCCCSCCS SBB057435 [1,1,0,0,0,0|0,1,1]=4 292 B7R0.1 CCCNCCC#N SBB059761 [1,1,0,0,0,0|1,0,1]=4 293 B7R0.1 CCCOCCCN SBB056585 [1,1,0,0,0,0|1,0,1]=4 294 B7R0.1 CCCSSCCC SBB058501 [1,1,0,0,0,0|1,0,1]=4 295 B7R0.1 CCNCCCCO SBB052126 [1,1,0,0,0,0|0,0,2]=4 296 B7R0.1 CCNCCNCC SBB072869 [1,1,0,0,0,0|1,0,1]=4 297 B7R0.1 COCCOCCCl SBB059966 [1,1,0,0,0,0|2,0,0]=4 298 B7R0.1 COCCOCCO SBB059920 [1,1,0,0,0,0|2,0,0]=4 299 B7R0.1 COCCOCCS SBB061387 [1,1,0,0,0,0|2,0,0]=4 300 B7R0.1 COCCSCCO SBB061070 [1,1,0,0,0,0|2,0,0]=4 301 B7R0.1 C\C=C\CCCCC SBB059885 [1,1,0,0,0,0|0,0,0]=2 302 B7R0.1 ClCCCCCCCl SBB060213 [1,1,0,0,0,0|1,0,1]=4 303 B7R0.1 N#CCCCCCBr SBB058579 [1,1,0,0,0,0|1,0,1]=4 304 B7R0.1 NCCCCCCN SBB059999 [1,1,0,0,0,0|1,0,1]=4 305 B7R0.1 OCCCCCCBr SBB054752 [1,1,0,0,0,0|0,0,2]=4 306 B7R0.1 OCCCCCCCl SBB060188 [1,1,0,0,0,0|0,0,2]=4 307 B7R0.1 OCCCCCCN SBB006584 [1,1,0,0,0,0|0,0,2]=4 308 B7R0.1 OCCCCCCO SBB059915 [1,1,0,0,0,0|0,0,2]=4 309 B7R0.1 OCCCCCCS SBB058615 [1,1,0,0,0,0|0,0,2]=4 310 B7R0.7 CCCC(=O)CCC SBB060386 [1,1,0,0,0,0|0,0,2]=4 311 B7R0.7 CCCC(N)CCC SBB018801 [1,1,0,0,0,0|0,0,1]=3 312 B7R0.7 CCCC(O)CCC SBB061327 [1,1,0,0,0,0|0,0,1]=3 313 B7R0.7 CCCN(C)CCC SBB061592 [1,1,0,0,0,0|1,0,1]=4 314 B9R0.4 COCCN(C)CC(=O)O SBB046598 [0,2,0,0,0,0|2,0,0]=4 315 B9R0.6 CCOC(=O)C(C)C(C)=O SBB060347 [0,2,0,0,0,0|1,0,1]=4 316 B9R0.6 CCOC(=O)C(Cl)C(C)=O SBB040841 [0,2,0,0,0,0|1,0,1]=4 317 B9R0.14 CCCC(CC)OC(C)=O SBB060029 [0,2,0,0,0,0|1,0,0]=3 318 B9R0.34 CCOC(=O)CC(=O)CCl SBB040868 [0,2,0,0,0,0|1,0,1]=4 319 B9R0.53 CC(=O)CC(=O)OC(C)C SBB061713 [0,2,0,0,0,0|1,0,1]=4 320 B9R0.53 CC(C)CC(O)CC(C)C SBB060165 [0,2,0,0,0,0|1,0,1]=4 321 B9R0.1 C=C(C)C#CCC(O)CC SBB009083 [0,2,0,0,0,0|1,0,1]=4 322 B9R0.1 CC(C)CCOC(=O)CCl SBB060961 [0,2,0,0,0,0|1,0,0]=3 323 B9R0.1 CCC(C)NCCC(N)=O SBB116742 [0,2,0,0,0,0|1,0,0]=3 324 B9R0.1 COC(=O)CCCC(=O)Cl SBB067933 [0,2,0,0,0,0|1,0,1]=4 325 B9R0.1 COC(=O)CCCC(=O)O SBB007943 [0,2,0,0,0,0|1,0,1]=4 326 B9R0.1 COC(=O)CCC[N+](=O)[O-] SBB013240 [0,2,0,0,0,0|2,0,0]=4 327 B9R0.1 COC(=O)\C=C\CC(C)C SBB054119 [0,2,0,0,0,0|0,0,2]=4 328 B9R0.5 CCCC#CC(=O)OCC SBB008805 [0,2,0,0,0,0|0,0,2]=4 329 B9R0.5 CCCCCC(=O)CCC SBB005828 [0,2,0,0,0,0|0,0,0]=2 330 B9R0.5 CCCCCC(=O)OCC SBB060316 [0,2,0,0,0,0|0,0,0]=2 331 B9R0.5 CCCCOC(=O)CCC SBB061107 [0,2,0,0,0,0|1,0,0]=3 332 B9R0.5 CCOC(=O)CCCCBr SBB070781 [0,2,0,0,0,0|1,0,0]=3 333 B9R0.8 COC(=O)C(N)CCCN SBB072642 [0,2,0,0,0,0|1,0,0]=3 334 B9R0.8 COC(=O)C(N)CCSC SBB003548 [0,2,0,0,0,0|1,0,0]=3 335 B9R0.8 N[C@@H](CCSC)C(=O)OC SBB005764 [0,2,0,0,0,0|1,0,0]=3 336 B9R0.24 COC(=O)CCC(=O)OC SBB040934 [0,2,0,0,0,0|1,0,1]=4 337 B9R0.46 CCCCC#CC(=O)OC SBB009075 [0,2,0,0,0,0|0,0,1]=3 338 B9R0.46 CCCCCCC(=O)CC SBB007744 [0,2,0,0,0,0|0,0,0]=2 339 B9R0.46 CCCCCCC(=O)NN SBB021011 [0,2,0,0,0,0|1,0,0]=3 340 B9R0.46 CCCCCCC(=O)OC SBB060317 [0,2,0,0,0,0|0,0,0]=2 341 B9R0.46 CCCCCCC(Cl)CCl SBB059980 [0,2,0,0,0,0|1,0,1]=4 342 B9R0.46 CCCCCNC(=O)CCl SBB017391 [0,2,0,0,0,0|0,0,0]=2 343 B9R0.46 CCCCCOC(=O)CC SBB058817 [0,2,0,0,0,0|0,0,0]=2 344 B9R0.46 CCCCCOC(=O)CCl SBB060707 [0,2,0,0,0,0|0,0,0]=2 345 B9R0.46 CCCCCOC(=O)CS SBB061204 [0,2,0,0,0,0|0,0,0]=2 346 B9R0.46 CCCCOCC(O)CC SBB061149 [0,2,0,0,0,0|0,0,2]=4 347 B9R0.46 CCCCOCC(O)CCl SBB059972 [0,2,0,0,0,0|0,0,2]=4 348 B9R0.46 CCCCOCC(O)CO SBB060185 [0,2,0,0,0,0|0,0,2]=4 349 B9R0.46 COC(=O)CCCCCN SBB003739 [0,2,0,0,0,0|0,0,0]=2 350 B9R0.46 COCCCNC(=O)CCl SBB017961 [0,2,0,0,0,0|1,0,0]=3 351 B9R0.46 NNC(=O)CCCCCO SBB072600 [0,2,0,0,0,0|1,0,0]=3 352 B9R0.47 CCCCCC(=O)N(C)C SBB008014 [0,2,0,0,0,0|0,0,0]=2 353 B9R0.47 CCCCCC(Cl)C(C)Cl SBB060458 [0,2,0,0,0,0|1,0,1]=4 354 B9R0.47 CCCCNC(=O)N(C)C SBB008135 [0,2,0,0,0,0|1,0,0]=3 355 B9R0.47 CCCCOC(=O)C(C)Cl SBB056574 [0,2,0,0,0,0|1,0,0]=3 356 B9R0.47 CCCCOC(=O)C(C)O SBB061171 [0,2,0,0,0,0|1,0,0]=3 357 B9R0.47 CCCCOC(=O)C(F)Cl SBB088217 [0,2,0,0,0,0|1,0,0]=3 358 B9R0.47 CCCCOC(=O)C(F)F SBB086822 [0,2,0,0,0,0|1,0,0]=3 359 B9R0.47 NCCCC[C@@H](N)C(=O)O SBB003731 [0,2,0,0,0,0|1,0,0]=3 360 B9R0.47 NCCCC[C@@H](N)C(=O)O SBB062859 [0,2,0,0,0,0|1,0,0]=3 361 B9R0.47 NCCCC[C@H](N)C(=O)O SBB062982 [0,2,0,0,0,0|1,0,0]=3 362 B9R0.50 CCCCCC(CO)CO SBB059213 [0,2,0,0,0,0|0,0,2]=4 363 B9R0.2 CC(=O)OCCOCCCl SBB060310 [0,2,0,0,0,0|1,0,0]=3 364 B9R0.2 CCCCCCCC(=O)Cl SBB060013 [0,2,0,0,0,0|1,0,0]=3 365 B9R0.2 CCCCCCCC(=O)O SBB060020 [0,2,0,0,0,0|1,0,0]=3 366 B9R0.2 CCCCCCCC(C)=O SBB061540 [0,2,0,0,0,0|0,0,0]=2 367 B9R0.2 CCCCCCCC(C)O SBB008521 [0,2,0,0,0,0|0,0,2]=4 368 B9R0.2 CCCCCCCC(N)=O SBB061055 [0,2,0,0,0,0|1,0,0]=3 369 B9R0.2 CCCCCCCN(C)C SBB061364 [0,2,0,0,0,0|2,0,0]=4 370 B9R0.2 CCCCCCNC(N)=S SBB028342 [0,2,0,0,0,0|1,1,0]=4 371 B9R0.2 CCCCCCOC(C)=O SBB060306 [0,2,0,0,0,0|0,0,0]=2 372 B9R0.2 CCCCSCCC(=O)O SBB001705 [0,2,0,0,0,0|1,0,0]=3 373 B9R0.2 CCOCCOCC(C)O SBB061150 [0,2,0,0,0,0|0,0,2]=4 374 B9R0.2 COCCNCCC(N)=O SBB116772 [0,2,0,0,0,0|1,0,0]=3 375 B9R0.2 COCCOCCN(C)C SBB056705 [0,2,0,0,0,0|2,0,0]=4 376 B9R0.2 NCCCCCCC(=O)O SBB072673 [0,2,0,0,0,0|1,0,0]=3 377 B9R0.2 O=C(O)CCCCCCO SBB059715 [0,2,0,0,0,0|1,0,0]=3 378 B9R0.2 [NH2+]=C(N)SCCCCCC SBB060417 [0,2,0,0,0,0|2,0,0]=4 379 B9R0.38 CCCCCCP(=O)(O)O SBB057477 [0,2,0,0,0,0|2,0,0]=4 380 B9R0.48 CCCC(=O)CCC(C)=O SBB008161 [0,2,0,0,0,0|0,0,0]=2 381 B9R0.48 CCOC(=O)CNC(C)=O SBB061661 [0,2,0,0,0,0|1,0,1]=4 382 B9R0.55 CC(=O)CCCCC(=O)O SBB068339 [0,2,0,0,0,0|0,0,1]=3 383 B9R0.55 CC(=O)CCCOC(C)=O SBB001556 [0,2,0,0,0,0|0,0,1]=3 384 B9R0.55 CC(=O)NCCCC(=O)O SBB028464 [0,2,0,0,0,0|1,0,1]=4 385 B9R0.55 CC(=O)NCCNC(C)=O SBB007829 [0,2,0,0,0,0|1,0,1]=4 386 B9R0.55 CC(=O)OCCOC(C)=O SBB060701 [0,2,0,0,0,0|1,0,1]=4 387 B9R0.55 CC(C)CCCCC(=O)O SBB065917 [0,2,0,0,0,0|1,0,0]=3 388 B9R0.55 NC(=O)CCCCC(N)=O SBB040916 [0,2,0,0,0,0|1,0,1]=4 389 B9R0.55 O=C(Cl)CCCCC(=O)Cl SBB058892 [0,2,0,0,0,0|1,0,1]=4 390 B9R0.55 O=C(O)CCCCC(=O)O SBB040846 [0,2,0,0,0,0|1,0,1]=4 391 B9R0.7 C[S+](C)CCC(N)C(=O)O SBB067713 [0,2,0,0,0,0|2,0,0]=4 392 B9R0.7 OC(=O)C(CCS(C)=O)N SBB012363 [0,2,0,0,0,0|2,0,0]=4 393 B9R0.7 OC(=O)C(CC[S+](C)C)N SBB017051 [0,2,0,0,0,0|2,0,0]=4 394 B9R0.7 OC(=O)[C@@H](CC[S+](C)C)N SBB017003 [0,2,0,0,0,0|2,0,0]=4 395 B9R0.13 CCCCC(CC)C(=O)Cl SBB058897 [0,2,0,0,0,0|1,0,0]=3 396 B9R0.13 CCCCC(CC)C(=O)O SBB060021 [0,2,0,0,0,0|1,0,0]=3 397 B9R0.13 CCCCC(CC)C(N)=O SBB061054 [0,2,0,0,0,0|1,0,0]=3 398 B9R0.56 CC(=O)OCC[N+](C)(C)C SBB058711 [0,2,0,0,0,0|2,0,0]=4 399 B9R0.56 CC(C)(C)NCCC(N)=O SBB116748 [0,2,0,0,0,0|2,0,0]=4 400 B9R0.56 CC(C)(C)SCCC(=O)O SBB019266 [0,2,0,0,0,0|2,0,0]=4 401 B9R0.56 CC(N)CCCC(C)(C)O SBB003737 [0,2,0,0,0,0|0,0,2]=4 402 B9R0.56 OC(C)(C)CCCC(C)N SBB004116 [0,2,0,0,0,0|0,0,2]=4 403 B7R1.2 O=C1C[C@H](O)CO1 SBB055783 [1,0,0,1,0,0|2,0,0]=4 404 B7R1.3 BrC1CCCCC1 SBB059944 [1,0,0,1,0,0|1,0,1]=4 405 B7R1.3 CC1CCCCC1 SBB061163 [1,0,0,1,0,0|1,0,1]=4 406 B7R1.3 CN1CCCCC1 SBB060237 [1,0,0,1,0,0|2,0,0]=4 407 B7R1.3 N1CCCCC1C SBB027300 [1,0,0,1,0,0|1,0,1]=4 408 B7R1.3 NC1CCCCC1 SBB040492 [1,0,0,1,0,0|1,0,1]=4 409 B7R1.3 NN1CCCCC1 SBB067336 [1,0,0,1,0,0|2,0,0]=4 410 B7R1.3 O=C1C=CCCC1 SBB008209 [1,0,0,1,0,0|0,0,2]=4 411 B7R1.3 O=C1CCCCC1 SBB060074 [1,0,0,1,0,0|0,0,0]=2 412 B7R1.3 O=C1CCCCO1 SBB060349 [1,0,0,1,0,0|1,0,0]=3 413 B7R1.3 O=C1CCOCC1 SBB049627 [1,0,0,1,0,0|1,0,0]=3 414 B7R1.3 O=C1CCSCC1 SBB048121 [1,0,0,1,0,0|1,0,0]=3 415 B7R1.3 O=C1CNCCN1 SBB000034 [1,0,0,1,0,0|2,0,0]=4 416 B7R1.3 OC1CCCCC1 SBB060483 [1,0,0,1,0,0|0,0,2]=4 417 B7R1.7 CCCCC1CO1 SBB017137 [1,0,0,1,0,0|0,0,2]=4 418 B7R1.10 C=C1CC(CN)C1 SBB052508 [1,0,0,1,0,0|2,0,0]=4 419 B7R1.10 O=C1CC(CO)C1 SBB054867 [1,0,0,1,0,0|1,0,0]=3 420 B7R1.12 C[C@H]1C[C@H]1C(=O)O SBB069055 [1,0,0,1,0,0|1,0,0]=3 421 B7R1.14 O=S1(=O)CCCC1 SBB057389 [1,0,0,1,0,0|2,0,0]=4 422 B7R1.18 NC(=O)C1CCC1 SBB111823 [1,0,0,1,0,0|1,0,0]=3 423 B7R1.18 O=C(Cl)C1CCC1 SBB007882 [1,0,0,1,0,0|1,0,0]=3 424 B7R1.18 O=C(O)C1CCC1 SBB053465 [1,0,0,1,0,0|1,0,0]=3 425 B7R1.18 O=C(O)C1CCN1 SBB053470 [1,0,0,1,0,0|2,0,0]=4 426 B7R1.18 O=C(O)C1CNC1 SBB027353 [1,0,0,1,0,0|2,0,0]=4 427 B7R1.18 O=C(O)[C@@H]1CCN1 SBB004365 [1,0,0,1,0,0|2,0,0]=4 428 B7R1.20 O=C(O)CC1CC1 SBB005442 [1,0,0,1,0,0|1,0,0]=3 429 B7R1.1 BrCC1CCCC1 SBB054968 [1,0,0,1,0,0|1,0,1]=4 430 B7R1.1 N#CC1CCCC1 SBB008886 [1,0,0,1,0,0|1,0,1]=4 431 B7R1.1 NNC1CCCC1 SBB301621 [1,0,0,1,0,0|2,0,0]=4 432 B7R1.1 O=CC1CCCC1 SBB069481 [1,0,0,1,0,0|0,0,0]=2 433 B7R1.1 O=CC1CCOC1 SBB052278 [1,0,0,1,0,0|1,0,0]=3 434 B7R1.1 OCC1CCCC1 SBB008516 [1,0,0,1,0,0|0,0,2]=4 435 B7R1.1 OCC1CCNC1 SBB046413 [1,0,0,1,0,0|2,0,0]=4 436 B7R1.4 CN1CCCC1=O SBB060297 [1,0,0,1,0,0|1,0,0]=3 437 B7R1.4 NC1CCOC1=O SBB004366 [1,0,0,1,0,0|2,0,0]=4 438 B7R1.4 NC1CCOC1=O SBB057192 [1,0,0,1,0,0|2,0,0]=4 439 B7R1.4 NC1CCSC1=O SBB004035 [1,0,0,1,0,0|2,0,0]=4 440 B7R1.4 O=C1OCCC1Br SBB083094 [1,0,0,1,0,0|2,0,0]=4 441 B7R1.6 N#CCC1CCC1 SBB071683 [1,0,0,1,0,0|1,0,1]=4 442 B7R1.24 C1=CCCCCC1 SBB059889 [1,0,0,1,0,0|0,0,1]=3 443 B7R1.24 C1CCCCCC1 SBB060406 [1,0,0,1,0,0|0,0,1]=3 444 B7R1.24 C1CNCCNC1 SBB004367 [1,0,0,1,0,0|2,0,0]=4 445 B7R1.24 C1CNCCOC1 SBB049498 [1,0,0,1,0,0|2,0,0]=4 446 B7R1.24 N1CCCCCC1 SBB027297 [1,0,0,1,0,0|1,0,0]=3 447 B9R1.7 CCCC1=NNC(=O)C1 SBB116793 [0,1,0,1,0,0|1,0,1]=4 448 B9R1.7 CCCC1OCC(C)O1 SBB060973 [0,1,0,1,0,0|0,0,2]=4 449 B9R1.7 CNCC1CC(C)=NO1 SBB027045 [0,1,0,1,0,0|1,0,1]=4 450 B9R1.13 CC(=O)CC1CCCC1 SBB008343 [0,1,0,1,0,0|0,0,0]=2 451 B9R1.13 CC(=O)OC1CCCC1 SBB060737 [0,1,0,1,0,0|0,0,0]=2 452 B9R1.13 CC(N)CN1CCCC1 SBB014676 [0,1,0,1,0,0|1,0,1]=4 453 B9R1.13 CC(O)CN1CCCC1 SBB056722 [0,1,0,1,0,0|0,0,2]=4 454 B9R1.13 O=C(Cl)CC1CCCC1 SBB116687 [0,1,0,1,0,0|1,0,0]=3 455 B9R1.13 O=C(Cl)OC1CCCC1 SBB056243 [0,1,0,1,0,0|1,0,0]=3 456 B9R1.13 O=C(O)CC1CCCC1 SBB080711 [0,1,0,1,0,0|1,0,0]=3 457 B9R1.13 O=C(O)CC1CCCO1 SBB002788 [0,1,0,1,0,0|1,0,0]=3 458 B9R1.13 O=C(O)CN1CCCC1 SBB017909 [0,1,0,1,0,0|1,0,0]=3 459 B9R1.13 O=C(O)C[C@@H]1CCCN1 SBB066746 [0,1,0,1,0,0|1,0,0]=3 460 B9R1.34 CC1CC(=O)CC(=O)C1 SBB042020 [0,1,0,1,0,0|0,0,1]=3 461 B9R1.34 CC1CC(=O)CC(C)O1 SBB056218 [0,1,0,1,0,0|1,0,0]=3 462 B9R1.34 CC1CC(C)CC(C)C1 SBB061287 [0,1,0,1,0,0|1,0,1]=4 463 B9R1.34 CC1CC(O)CN(C)C1 SBB002820 [0,1,0,1,0,0|2,0,0]=4 464 B9R1.38 CC1CC(C)S(=O)(=O)C1 SBB058474 [0,1,0,1,0,0|2,0,0]=4 465 B9R1.41 CC(=O)C1CCOC1=O SBB040834 [0,1,0,1,0,0|1,0,1]=4 466 B9R1.41 CC(=O)N1CCCC1=O SBB007922 [0,1,0,1,0,0|1,0,1]=4 467 B9R1.41 CN1CCCC1C(=O)O SBB108828 [0,1,0,1,0,0|1,0,0]=3 468 B9R1.48 O=C1CCCCC(=O)C1 SBB056238 [0,1,0,1,0,0|0,0,1]=3 469 B9R1.66 CC1(C)CC(=O)CCO1 SBB048828 [0,1,0,1,0,0|1,0,0]=3 470 B9R1.1 CCC1CCC(=O)CC1 SBB059272 [0,1,0,1,0,0|0,0,0]=2 471 B9R1.1 CCC1CCC(C)NC1 SBB085696 [0,1,0,1,0,0|1,0,1]=4 472 B9R1.1 CCC1CCC(N)CC1 SBB085697 [0,1,0,1,0,0|1,0,1]=4 473 B9R1.1 CCC1CCC(O)CC1 SBB058793 [0,1,0,1,0,0|0,0,2]=4 474 B9R1.1 CCN1CCC(=O)CC1 SBB061714 [0,1,0,1,0,0|1,0,0]=3 475 B9R1.1 O=C1CCC(CO)CC1 SBB054860 [0,1,0,1,0,0|1,0,0]=3 476 B9R1.2 CCN1CCCC(=O)C1 SBB056089 [0,1,0,1,0,0|0,0,0]=2 477 B9R1.2 CCN1CCCC(N)C1 SBB010256 [0,1,0,1,0,0|1,0,1]=4 478 B9R1.2 CN1CCCC(CN)C1 SBB085275 [0,1,0,1,0,0|2,0,0]=4 479 B9R1.2 CN1CCCC(CO)C1 SBB108760 [0,1,0,1,0,0|2,0,0]=4 480 B9R1.2 O=C1CCCC(CO)C1 SBB054862 [0,1,0,1,0,0|0,0,0]=2 481 B9R1.3 CC1CCCC(C)C1=O SBB059688 [0,1,0,1,0,0|0,0,1]=3 482 B9R1.3 CC1CCCC(C)N1N SBB061736 [0,1,0,1,0,0|1,0,1]=4 483 B9R1.3 CC1CCCC(N)C1C SBB061727 [0,1,0,1,0,0|1,0,1]=4 484 B9R1.3 CN1CCCN(C)C1=O SBB058374 [0,1,0,1,0,0|2,0,0]=4 485 B9R1.3 O=C1CCCC(=O)C1Br SBB038106 [0,1,0,1,0,0|1,0,1]=4 486 B9R1.5 CN1CCCCCC1=O SBB056535 [0,1,0,1,0,0|0,0,0]=2 487 B9R1.5 NC1CCCCNC1=O SBB056282 [0,1,0,1,0,0|1,0,0]=3 488 B9R1.5 N[C@H]1CSCCNC1=O SBB069999 [0,1,0,1,0,0|2,0,0]=4 489 B9R1.5 O=C1CCCCCN1Br SBB057855 [0,1,0,1,0,0|1,0,0]=3 490 B9R1.11 COC(=O)C1CCCC1 SBB071502 [0,1,0,1,0,0|0,0,0]=2 491 B9R1.11 COC(=O)C1CCCN1 SBB046302 [0,1,0,1,0,0|1,0,0]=3 492 B9R1.11 COC(=O)C1CCCN1 SBB054027 [0,1,0,1,0,0|1,0,0]=3 493 B9R1.11 COC(=O)[C@@H]1CCCN1 SBB003904 [0,1,0,1,0,0|1,0,0]=3 494 B9R1.11 NNC(=O)C1CCCC1 SBB046301 [0,1,0,1,0,0|1,0,0]=3 495 B9R1.11 O=C(CCl)N1CCCC1 SBB005370 [0,1,0,1,0,0|1,0,0]=3 496 B9R1.49 O=C1CCC(=O)COC1 SBB000058 [0,1,0,1,0,0|1,0,1]=4 497 B9R1.50 NC1CCCCCCC1 SBB004245 [0,1,0,1,0,0|1,0,1]=4 498 B9R1.50 O=C1CCCCCCC1 SBB008888 [0,1,0,1,0,0|0,0,0]=2 499 B9R1.50 OC1CCCCCCC1 SBB058905 [0,1,0,1,0,0|0,0,2]=4 500 B9R1.80 O=C(CCl)NCC1CC1 SBB085411 [0,1,0,1,0,0|1,0,0]=3 501 B9R1.89 CCN1CCCCCC1 SBB056278 [0,1,0,1,0,0|2,0,0]=4 502 B9R1.89 N#CC1CCCCCC1 SBB008917 [0,1,0,1,0,0|1,0,1]=4 503 B9R1.89 O=CC1CCCCCC1 SBB059644 [0,1,0,1,0,0|0,0,1]=3 504 B9R1.89 O=CN1CCCNCC1 SBB040967 [0,1,0,1,0,0|2,0,0]=4 505 B9R1.118 OC1(CN)CCCCC1 SBB005863 [0,1,0,1,0,0|0,0,2]=4 506 B9R1.118 OCC1(F)CCCCC1 SBB054863 [0,1,0,1,0,0|1,0,1]=4 507 B9R1.6 CC(=O)C1CCOCC1 SBB055952 [0,1,0,1,0,0|0,0,0]=2 508 B9R1.6 CC(=O)N1CCNCC1 SBB027339 [0,1,0,1,0,0|1,0,0]=3 509 B9R1.6 CC(C)C1CCCCC1 SBB061161 [0,1,0,1,0,0|1,0,1]=4 510 B9R1.6 CN(C)C1CCCCC1 SBB060234 [0,1,0,1,0,0|2,0,0]=4 511 B9R1.6 CN(C)C1CCCCO1 SBB072697 [0,1,0,1,0,0|2,0,0]=4 512 B9R1.6 C[C@@H](N)C1CCCCC1 SBB028230 [0,1,0,1,0,0|1,0,1]=4 513 B9R1.6 N=C(N)N1CCCCC1 SBB056068 [0,1,0,1,0,0|2,0,0]=4 514 B9R1.6 N=C(N)N1CCCCC1 SBB056091 [0,1,0,1,0,0|2,0,0]=4 515 B9R1.6 NC(=O)C1CC=CCC1 SBB056263 [0,1,0,1,0,0|1,0,1]=4 516 B9R1.6 NC(=O)C1CCCCC1 SBB008414 [0,1,0,1,0,0|1,0,0]=3 517 B9R1.6 NC(=O)C1CCCCN1 SBB085724 [0,1,0,1,0,0|1,0,0]=3 518 B9R1.6 NC(=O)C1CCCNC1 SBB004239 [0,1,0,1,0,0|1,0,0]=3 519 B9R1.6 NC(=O)C1CCCOC1 SBB047762 [0,1,0,1,0,0|1,0,0]=3 520 B9R1.6 NC(=O)C1CCNCC1 SBB004237 [0,1,0,1,0,0|1,0,0]=3 521 B9R1.6 NC(=O)C1CCOCC1 SBB055946 [0,1,0,1,0,0|1,0,0]=3 522 B9R1.6 NC(=O)C1CNCCN1 SBB056122 [0,1,0,1,0,0|2,0,0]=4 523 B9R1.6 NC(=O)N1CCNCC1 SBB010258 [0,1,0,1,0,0|2,0,0]=4 524 B9R1.6 NC(=O)N1CCNCC1 SBB087950 [0,1,0,1,0,0|2,0,0]=4 525 B9R1.6 NC(=S)N1CCCCC1 SBB028272 [0,1,0,1,0,0|1,1,0]=4 526 B9R1.6 O=C(Cl)C1CC=CCC1 SBB053674 [0,1,0,1,0,0|1,0,1]=4 527 B9R1.6 O=C(Cl)C1CCCCC1 SBB040626 [0,1,0,1,0,0|1,0,0]=3 528 B9R1.6 O=C(Cl)C1CCOCC1 SBB062712 [0,1,0,1,0,0|1,0,0]=3 529 B9R1.6 O=C(Cl)N1CCOCC1 SBB061723 [0,1,0,1,0,0|2,0,0]=4 530 B9R1.6 O=C(O)C1CCCCC1 SBB008550 [0,1,0,1,0,0|1,0,0]=3 531 B9R1.6 O=C(O)C1CCCCO1 SBB027215 [0,1,0,1,0,0|1,0,0]=3 532 B9R1.6 O=C(O)C1CCCNC1 SBB027313 [0,1,0,1,0,0|1,0,0]=3 533 B9R1.6 O=C(O)C1CCCOC1 SBB014997 [0,1,0,1,0,0|1,0,0]=3 534 B9R1.6 O=C(O)C1CCNCC1 SBB003906 [0,1,0,1,0,0|1,0,0]=3 535 B9R1.6 O=C(O)C1CCNCC1 SBB004231 [0,1,0,1,0,0|1,0,0]=3 536 B9R1.6 O=C(O)C1CCOCC1 SBB027643 [0,1,0,1,0,0|1,0,0]=3 537 B9R1.6 O=C(O)C1CCSCC1 SBB053436 [0,1,0,1,0,0|1,0,0]=3 538 B9R1.6 O=C(O)C1CCSCN1 SBB014841 [0,1,0,1,0,0|2,0,0]=4 539 B9R1.6 O=C(O)C1CNCCO1 SBB053358 [0,1,0,1,0,0|2,0,0]=4 540 B9R1.6 O=C(O)C1CNCCS1 SBB053351 [0,1,0,1,0,0|2,0,0]=4 541 B9R1.6 O=C(O)C1CSCCN1 SBB053350 [0,1,0,1,0,0|2,0,0]=4 542 B9R1.6 O=C(O)[C@@H]1CCCCN1 SBB006732 [0,1,0,1,0,0|1,0,0]=3 543 B9R1.6 OC(=O)C1=CCCCC1 SBB006589 [0,1,0,1,0,0|1,0,1]=4 544 B9R1.6 OC(=O)C1CC=CCC1 SBB006583 [0,1,0,1,0,0|1,0,1]=4 545 B9R1.6 OC(=O)C1CNCCN1 SBB004226 [0,1,0,1,0,0|2,0,0]=4 546 B9R1.83 CCCCCCC1CO1 SBB017138 [0,1,0,1,0,0|0,0,2]=4 547 B9R1.83 CCCCOCC1CO1 SBB060096 [0,1,0,1,0,0|0,0,2]=4 548 B9R1.84 O=C(O)CCC1CCC1 SBB072391 [0,1,0,1,0,0|1,0,0]=3 549 B9R1.23 CN1CC(CO)CC1=O SBB054853 [0,1,0,1,0,0|2,0,0]=4 550 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 SBB004222 [0,1,0,1,0,0|2,0,0]=4 551 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 SBB053386 [0,1,0,1,0,0|2,0,0]=4 552 B9R1.35 O=C1CCC(C(=O)O)C1 SBB069114 [0,1,0,1,0,0|1,0,1]=4 553 B9R1.112 N[C@@H](CC1CC1)C(=O)O SBB065934 [0,1,0,1,0,0|1,0,0]=3 554 B9R1.163 CC1(C(=O)O)CCCO1 SBB012745 [0,1,0,1,0,0|2,0,0]=4 555 B9R1.163 OC(=O)C1(N)CCCC1 SBB004230 [0,1,0,1,0,0|1,0,0]=3 556 B9R1.133 CNC1CCS(=O)(=O)C1 SBB005677 [0,1,0,1,0,0|2,0,0]=4 557 B9R1.133 NCC1CCS(=O)(=O)C1 SBB019221 [0,1,0,1,0,0|2,0,0]=4 558 B9R1.133 O=S1(=O)CCC(CCl)C1 SBB019127 [0,1,0,1,0,0|2,0,0]=4 559 B9R1.19 O=S(=O)(Cl)C1CCCC1 SBB061213 [0,1,0,1,0,0|2,0,0]=4 560 B9R2.39 N[C@H]1C[C@@H]2CCC1C2 SBB017219 [0,0,0,2,0,0|1,0,1]=4 561 B9R2.39 O=C1CC2CCC1C2 SBB072159 [0,0,0,2,0,0|0,0,0]=2