0 B7R0.4 C#CCCCC(=O)O SBB009090 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.4 CC(C)CCCCBr SBB008833 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.4 CC(C)OCCC#N SBB080430 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.4 CC(C)OCCCN SBB061717 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.4 CCCC#CC(=O)O SBB009091 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.4 CCCCCC(=O)Cl SBB060011 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.4 CCCCCC(=O)O SBB053586 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.4 CCCCCC(C)=O SBB061125 [0,0,0,0,0,0|1,0,0]=1 8 B7R0.4 CCCCCC(N)=O SBB061056 [0,0,0,0,0,0|2,0,0]=2 9 B7R0.4 CCCCNC(N)=S SBB028242 [0,0,0,0,0,0|2,1,0]=3 10 B7R0.4 CCCCOC(Cl)Cl SBB060510 [0,0,0,0,0,0|2,0,1]=3 11 B7R0.4 CCCCOC(N)=O SBB060819 [0,0,0,0,0,0|1,0,0]=1 12 B7R0.4 CCCOCC(C)O SBB061007 [0,0,0,0,0,0|2,0,2]=4 13 B7R0.4 CCC\C=C\C(=O)O SBB009088 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.4 CCOCCC(=O)O SBB053607 [0,0,0,0,0,0|3,0,0]=3 15 B7R0.4 CN(C)CCCCN SBB008514 [0,0,0,0,0,0|4,0,0]=4 16 B7R0.4 CNCCCN(C)C SBB052125 [0,0,0,0,0,0|4,0,0]=4 17 B7R0.4 COCCNC(C)C SBB302570 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.4 COCCNC(N)=S SBB017633 [0,0,0,0,0,0|3,1,0]=4 19 B7R0.4 COCCOC(C)=O SBB060999 [0,0,0,0,0,0|1,0,0]=1 20 B7R0.4 NCCCCC(=O)O SBB061559 [0,0,0,0,0,0|3,0,0]=3 21 B7R0.4 O=C(O)CCCCBr SBB061343 [0,0,0,0,0,0|3,0,0]=3 22 B7R0.4 O=C(O)CCCCCl SBB061215 [0,0,0,0,0,0|3,0,0]=3 23 B7R0.4 OC(=O)C\C=C/CC SBB006610 [0,0,0,0,0,0|2,0,2]=4 24 B7R0.4 [NH2+]=C(N)SCCCC SBB060794 [0,0,0,0,0,0|2,1,0]=3 25 B6R0.4 C#CCCC(=O)O SBB009121 [1,0,0,0,0,0|1,0,2]=4 26 B6R0.4 C=CCCC(=O)O SBB061214 [1,0,0,0,0,0|1,0,2]=4 27 B6R0.4 C=CCCC(C)=O SBB009089 [1,0,0,0,0,0|0,0,2]=3 28 B6R0.4 CC(=O)NCCCl SBB008165 [1,0,0,0,0,0|2,0,0]=3 29 B6R0.4 CC(=O)NCCN SBB028176 [1,0,0,0,0,0|2,0,0]=3 30 B6R0.4 CC(=O)NCCO SBB007954 [1,0,0,0,0,0|2,0,0]=3 31 B6R0.4 CC(=O)OCCCl SBB058505 [1,0,0,0,0,0|1,0,0]=2 32 B6R0.4 CC(C)OCCN SBB301616 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.4 CCC#CC(C)=O SBB009086 [1,0,0,0,0,0|0,0,2]=3 34 B6R0.4 CCCCC(=O)O SBB053585 [1,0,0,0,0,0|1,0,0]=2 35 B6R0.4 CCCCC(C)=O SBB061262 [1,0,0,0,0,0|0,0,0]=1 36 B6R0.4 CCCCC(C)O SBB061290 [1,0,0,0,0,0|0,0,2]=3 37 B6R0.4 CCCCC(N)=O SBB028169 [1,0,0,0,0,0|1,0,0]=2 38 B6R0.4 CCCCN(C)C SBB060243 [1,0,0,0,0,0|2,0,0]=3 39 B6R0.4 CCCNC(N)=O SBB028174 [1,0,0,0,0,0|2,0,0]=3 40 B6R0.4 CCCOC(C)=O SBB060305 [1,0,0,0,0,0|0,0,0]=1 41 B6R0.4 CCCOC(N)=O SBB000036 [1,0,0,0,0,0|1,0,0]=2 42 B6R0.4 CCOCC(=O)O SBB069120 [1,0,0,0,0,0|2,0,0]=3 43 B6R0.4 CCOCC(C)O SBB061006 [1,0,0,0,0,0|1,0,2]=4 44 B6R0.4 CCSCC(=O)O SBB047288 [1,0,0,0,0,0|2,0,0]=3 45 B6R0.4 CC\C=C\C(=O)O SBB061994 [1,0,0,0,0,0|1,0,2]=4 46 B6R0.4 CN(C)CCCN SBB028177 [1,0,0,0,0,0|3,0,0]=4 47 B6R0.4 CNCCC(N)=O SBB080375 [1,0,0,0,0,0|2,0,0]=3 48 B6R0.4 NCCCC(=O)O SBB028179 [1,0,0,0,0,0|2,0,0]=3 49 B6R0.4 O=C(Cl)CCCCl SBB060894 [1,0,0,0,0,0|2,0,0]=3 50 B6R0.4 O=C(O)CCCBr SBB065986 [1,0,0,0,0,0|2,0,0]=3 51 B6R0.6 C#CCCCCC SBB067441 [1,0,0,0,0,0|1,0,2]=4 52 B6R0.6 C=CCCCCBr SBB054740 [1,0,0,0,0,0|2,0,1]=4 53 B6R0.6 C=CCCCCC SBB059882 [1,0,0,0,0,0|1,0,1]=3 54 B6R0.6 CCCCCC#N SBB060051 [1,0,0,0,0,0|2,0,1]=4 55 B6R0.6 CCCCCCBr SBB059934 [1,0,0,0,0,0|2,0,1]=4 56 B6R0.6 CCCCCCCl SBB059952 [1,0,0,0,0,0|2,0,1]=4 57 B6R0.6 CCCCCCN SBB059984 [1,0,0,0,0,0|2,0,1]=4 58 B6R0.6 CCCCCCO SBB059899 [1,0,0,0,0,0|1,0,2]=4 59 B6R0.6 CCCCCOC SBB061300 [1,0,0,0,0,0|2,0,0]=3 60 B6R0.6 CCCCN=C=S SBB060985 [1,0,0,0,0,0|1,1,1]=4 61 B6R0.6 CCCCNC=O SBB060026 [1,0,0,0,0,0|1,0,0]=2 62 B6R0.6 CCCCOC=O SBB060300 [1,0,0,0,0,0|0,0,0]=1 63 B6R0.6 CCCCSC#N SBB056760 [1,0,0,0,0,0|1,1,1]=4 64 B6R0.6 CCCCSCC SBB061178 [1,0,0,0,0,0|0,1,1]=3 65 B6R0.6 CCCNCCC SBB059762 [1,0,0,0,0,0|2,0,1]=4 66 B6R0.6 CCCSCCC SBB061017 [1,0,0,0,0,0|2,0,1]=4 67 B6R0.6 CCC\C=C\C=O SBB067097 [1,0,0,0,0,0|1,0,1]=3 68 B6R0.6 CCOCCC#N SBB067181 [1,0,0,0,0,0|1,0,2]=4 69 B6R0.6 CCOCCCN SBB028180 [1,0,0,0,0,0|1,0,1]=3 70 B6R0.6 O=C=NCCCCl SBB068362 [1,0,0,0,0,0|2,0,1]=4 71 B8R0.5 CCCC(=O)OC(C)C SBB061106 [0,1,0,0,0,0|1,0,2]=4 72 B8R0.5 CCCC(C)CC(=O)O SBB061321 [0,1,0,0,0,0|2,0,0]=3 73 B8R0.5 CCOC(=O)CC(C)=O SBB040867 [0,1,0,0,0,0|2,0,1]=4 74 B8R0.6 CCCC#CC(=O)OC SBB069575 [0,1,0,0,0,0|1,0,1]=3 75 B8R0.6 CCCCCC(=O)CC SBB060388 [0,1,0,0,0,0|1,0,0]=2 76 B8R0.6 CCCCCC(=O)NN SBB021010 [0,1,0,0,0,0|2,0,0]=3 77 B8R0.6 CCCCCC(=O)NO SBB008093 [0,1,0,0,0,0|2,0,0]=3 78 B8R0.6 CCCCCC(=O)OC SBB060591 [0,1,0,0,0,0|1,0,0]=2 79 B8R0.6 CCCCCC(Br)CBr SBB060499 [0,1,0,0,0,0|2,0,1]=4 80 B8R0.6 CCCCCC(O)CC SBB059904 [0,1,0,0,0,0|1,0,2]=4 81 B8R0.6 CCCCNC(=O)CCl SBB010319 [0,1,0,0,0,0|1,0,0]=2 82 B8R0.6 CCCCNC(=S)NN SBB017642 [0,1,0,0,0,0|2,1,0]=4 83 B8R0.6 CCCCOC(=O)CC SBB060578 [0,1,0,0,0,0|0,0,0]=1 84 B8R0.6 CCCCOC(=O)CCl SBB060760 [0,1,0,0,0,0|0,0,0]=1 85 B8R0.6 CCCCOC(=O)CF SBB085867 [0,1,0,0,0,0|0,0,0]=1 86 B8R0.6 CCCCOC(=O)CS SBB061004 [0,1,0,0,0,0|0,0,0]=1 87 B8R0.6 CCNCCC(=O)NN SBB046550 [0,1,0,0,0,0|3,0,0]=4 88 B8R0.6 CCOCCC(=O)NN SBB079954 [0,1,0,0,0,0|3,0,0]=4 89 B8R0.6 COC(=O)CCCCBr SBB070759 [0,1,0,0,0,0|2,0,0]=3 90 B8R0.6 COCCNC(=O)CCl SBB038704 [0,1,0,0,0,0|2,0,0]=3 91 B8R0.7 C#CCCCCC(=O)O SBB008797 [0,1,0,0,0,0|2,0,1]=4 92 B8R0.7 C=C(C)CSCCCC SBB061593 [0,1,0,0,0,0|1,1,0]=3 93 B8R0.7 CC(=O)CCCOC=O SBB001557 [0,1,0,0,0,0|2,0,1]=4 94 B8R0.7 CC(=O)OCCCCCl SBB059334 [0,1,0,0,0,0|0,0,0]=1 95 B8R0.7 CC(C)CCCCCBr SBB054753 [0,1,0,0,0,0|2,0,1]=4 96 B8R0.7 CCCCCCC(=O)Cl SBB060012 [0,1,0,0,0,0|2,0,0]=3 97 B8R0.7 CCCCCCC(=O)O SBB053587 [0,1,0,0,0,0|2,0,0]=3 98 B8R0.7 CCCCCCC(C)=O SBB060387 [0,1,0,0,0,0|1,0,0]=2 99 B8R0.7 CCCCCCC(C)Br SBB060198 [0,1,0,0,0,0|2,0,1]=4 100 B8R0.7 CCCCCCC(C)N SBB028238 [0,1,0,0,0,0|2,0,1]=4 101 B8R0.7 CCCCCCC(C)O SBB059903 [0,1,0,0,0,0|1,0,2]=4 102 B8R0.7 CCCCCCN(C)C SBB059990 [0,1,0,0,0,0|3,0,0]=4 103 B8R0.7 CCCCCOC(C)=O SBB060027 [0,1,0,0,0,0|0,0,0]=1 104 B8R0.7 CCCCNCC(C)C SBB059764 [0,1,0,0,0,0|2,0,1]=4 105 B8R0.7 CCCCNCC(C)O SBB059782 [0,1,0,0,0,0|1,0,2]=4 106 B8R0.7 CCCCSCC(=O)O SBB061205 [0,1,0,0,0,0|1,1,0]=3 107 B8R0.7 CCCNCCC(N)=O SBB116773 [0,1,0,0,0,0|2,0,0]=3 108 B8R0.7 CCOCCOC(C)=O SBB061000 [0,1,0,0,0,0|0,0,0]=1 109 B8R0.7 CN(C)CCCCCN SBB008565 [0,1,0,0,0,0|3,0,0]=4 110 B8R0.7 COCCOCC(=O)O SBB008497 [0,1,0,0,0,0|2,0,0]=3 111 B8R0.7 NC(=O)CCNCCO SBB116776 [0,1,0,0,0,0|3,0,0]=4 112 B8R0.7 NCCCCCC(=O)O SBB015068 [0,1,0,0,0,0|2,0,0]=3 113 B8R0.7 O=C(O)CCCCCBr SBB065783 [0,1,0,0,0,0|2,0,0]=3 114 B8R0.7 O=C(O)CCNCCO SBB079386 [0,1,0,0,0,0|3,0,0]=4 115 B8R0.7 [NH2+](CCCC)CC(C)C SBB061643 [0,1,0,0,0,0|2,0,1]=4 116 B8R0.8 CC(=O)N(C)CCC#N SBB001628 [0,1,0,0,0,0|2,0,1]=4 117 B8R0.8 CCCCC(=O)C(C)=O SBB008584 [0,1,0,0,0,0|1,0,0]=2 118 B8R0.8 CCCCC(=O)N(C)C SBB007992 [0,1,0,0,0,0|3,0,0]=4 119 B8R0.8 CCCCC(Br)C(=O)O SBB069524 [0,1,0,0,0,0|2,0,0]=3 120 B8R0.8 CCCCC(C)C(=O)O SBB072714 [0,1,0,0,0,0|2,0,0]=3 121 B8R0.8 CCCCC(N)C(C)=O SBB014561 [0,1,0,0,0,0|1,0,0]=2 122 B8R0.8 CCCC[C@H](N)C(=O)O SBB065920 [0,1,0,0,0,0|2,0,0]=3 123 B8R0.8 NCCCC(N)C(=O)O SBB047988 [0,1,0,0,0,0|3,0,0]=4 124 B8R0.8 OC(=O)C(C)CCCCl SBB004068 [0,1,0,0,0,0|3,0,0]=4 125 B8R0.8 OC(=O)[C@@H](CCSC)N SBB006710 [0,1,0,0,0,0|3,0,0]=4 126 B8R0.8 [NH3+]CCCC(N)C(=O)O SBB061681 [0,1,0,0,0,0|3,0,0]=4 127 B8R0.9 CC(C)OCC(O)CN SBB010264 [0,1,0,0,0,0|2,0,1]=4 128 B8R0.9 CCC(=O)CCC(=O)O SBB072628 [0,1,0,0,0,0|2,0,1]=4 129 B8R0.28 CC(=O)NCCC(=O)O SBB065847 [0,1,0,0,0,0|2,0,1]=4 130 B8R0.28 CC(=O)OCCC(C)C SBB040873 [0,1,0,0,0,0|0,0,0]=1 131 B8R0.28 CC(=O)OCOC(C)=O SBB061325 [0,1,0,0,0,0|1,0,1]=3 132 B8R0.28 CC(C)=CCCC(C)O SBB008067 [0,1,0,0,0,0|2,0,0]=3 133 B8R0.28 CC(C)CCCC(=O)O SBB072713 [0,1,0,0,0,0|2,0,0]=3 134 B8R0.28 OC(=O)CCCN(C)C SBB005767 [0,1,0,0,0,0|3,0,0]=4 135 B8R0.28 [NH+](C)(C)CCCC(=O)O SBB058463 [0,1,0,0,0,0|3,0,0]=4 136 B8R1.1 CCC1COC(=O)O1 SBB008625 [0,0,0,1,0,0|1,0,0]=2 137 B8R1.1 O=C1CCC(CCl)O1 SBB074378 [0,0,0,1,0,0|3,0,0]=4 138 B8R1.1 O=C1NCC(CBr)S1 SBB019210 [0,0,0,1,0,0|3,0,0]=4 139 B8R1.1 OC[C@@H]1CCC(=O)N1 SBB004302 [0,0,0,1,0,0|3,0,0]=4 140 B8R1.4 CC1=CC(=O)CCC1 SBB007736 [0,0,0,1,0,0|1,0,2]=4 141 B8R1.4 CC1CCCC(C)C1 SBB061164 [0,0,0,1,0,0|2,0,1]=4 142 B8R1.4 CC1CCCC(C)N1 SBB004313 [0,0,0,1,0,0|2,0,1]=4 143 B8R1.4 CC1CCCC(O)C1 SBB061310 [0,0,0,1,0,0|1,0,2]=4 144 B8R1.4 CC1CCNC(C)C1 SBB004310 [0,0,0,1,0,0|2,0,1]=4 145 B8R1.4 O=C1CCCC(=O)C1 SBB061546 [0,0,0,1,0,0|2,0,1]=4 146 B8R1.7 N=C(N)C1CCCC1 SBB056275 [0,0,0,1,0,0|3,0,0]=4 147 B8R1.7 N=C(N)N1CCCC1 SBB056159 [0,0,0,1,0,0|3,0,0]=4 148 B8R1.7 NC(=O)C1CCCN1 SBB004067 [0,0,0,1,0,0|3,0,0]=4 149 B8R1.7 NC(=O)[C@@H]1CCCN1 SBB006531 [0,0,0,1,0,0|3,0,0]=4 150 B8R1.7 O=C(O)C1CCCC1 SBB065782 [0,0,0,1,0,0|2,0,0]=3 151 B8R1.7 O=C(O)C1CCCO1 SBB004298 [0,0,0,1,0,0|3,0,0]=4 152 B8R1.7 O=C(O)C1CCNC1 SBB053378 [0,0,0,1,0,0|3,0,0]=4 153 B8R1.7 O=C(O)C1CCNC1 SBB069272 [0,0,0,1,0,0|3,0,0]=4 154 B8R1.7 O=C(O)C1CCOC1 SBB053083 [0,0,0,1,0,0|3,0,0]=4 155 B8R1.7 O=C(O)[C@H]1CCCN1 SBB006712 [0,0,0,1,0,0|3,0,0]=4 156 B8R1.7 O=C(O)[C@H]1CCNC1 SBB065825 [0,0,0,1,0,0|3,0,0]=4 157 B8R1.22 NC1CCCCCC1 SBB004311 [0,0,0,1,0,0|2,0,1]=4 158 B8R1.22 O=C1CCCCCC1 SBB060075 [0,0,0,1,0,0|1,0,0]=2 159 B8R1.22 O=C1CCCCCN1 SBB058658 [0,0,0,1,0,0|1,0,0]=2 160 B8R1.22 O=C1CCNCCN1 SBB056241 [0,0,0,1,0,0|2,0,0]=3 161 B8R1.22 O=S1OCCCCO1 SBB060665 [0,0,0,1,0,0|2,0,0]=3 162 B8R1.22 OC1CCCCCC1 SBB061138 [0,0,0,1,0,0|1,0,2]=4 163 B8R1.22 S=C1NCCCCN1 SBB085765 [0,0,0,1,0,0|2,1,0]=4 164 B8R1.34 O=C(O)CC1CCC1 SBB050298 [0,0,0,1,0,0|2,0,0]=3 165 B8R1.35 CC(C)NCC1CC1 SBB080386 [0,0,0,1,0,0|2,0,1]=4 166 B8R1.72 CC1(C)CCOCO1 SBB060068 [0,0,0,1,0,0|2,0,1]=4 167 B8R1.72 CC1(O)CCCCC1 SBB061165 [0,0,0,1,0,0|1,0,2]=4 168 B8R1.72 O=S1(=O)CCCCO1 SBB059317 [0,0,0,1,0,0|2,0,0]=3 169 B5R0.1 CC(=O)CC#N SBB014113 [2,0,0,0,0,0|1,0,1]=4 170 B5R0.1 CCCC(=O)Cl SBB040624 [2,0,0,0,0,0|1,0,0]=3 171 B5R0.1 CCOC(=O)Cl SBB040861 [2,0,0,0,0,0|1,0,0]=3 172 B5R0.1 COCC(=O)O SBB061376 [2,0,0,0,0,0|2,0,0]=4 173 B5R0.1 CS(=O)CCN SBB050811 [2,0,0,0,0,0|2,0,0]=4 174 B5R0.1 CSCC(=O)O SBB053570 [2,0,0,0,0,0|2,0,0]=4 175 B5R0.1 O=C(O)CCBr SBB065770 [2,0,0,0,0,0|2,0,0]=4 176 B5R0.1 O=C(O)CCCl SBB069140 [2,0,0,0,0,0|2,0,0]=4 177 B5R0.2 C=COCCCl SBB061485 [2,0,0,0,0,0|1,0,1]=4 178 B5R0.2 C=COCCN SBB072719 [2,0,0,0,0,0|1,0,1]=4 179 B5R0.2 CCCCCBr SBB059933 [2,0,0,0,0,0|1,0,1]=4 180 B5R0.2 CCCCCCl SBB059951 [2,0,0,0,0,0|1,0,1]=4 181 B5R0.2 CCOCCBr SBB008332 [2,0,0,0,0,0|1,0,1]=4 182 B5R0.2 CCOCCCl SBB061015 [2,0,0,0,0,0|1,0,1]=4 183 B5R0.2 CCOCCN SBB072161 [2,0,0,0,0,0|1,0,1]=4 184 B5R0.2 CNCCCN SBB059823 [2,0,0,0,0,0|2,0,0]=4 185 B5R0.2 CSCCCO SBB056451 [2,0,0,0,0,0|1,1,0]=4 186 B7R0.2 CCC(C)CC(=O)O SBB008180 [1,1,0,0,0,0|1,0,0]=3 187 B7R0.2 CCC(C)NC(N)=O SBB008605 [1,1,0,0,0,0|2,0,0]=4 188 B7R0.2 CCC(O)CN(C)C SBB061151 [1,1,0,0,0,0|2,0,0]=4 189 B7R0.2 COC(=O)CC(C)=O SBB060889 [1,1,0,0,0,0|1,0,1]=4 190 B7R0.2 NC[C@@H](O)CC(=O)O SBB065945 [1,1,0,0,0,0|2,0,0]=4 191 B7R0.3 C=C(CC)CCCC SBB060475 [1,1,0,0,0,0|1,0,0]=3 192 B7R0.3 CCC(=O)OCCCl SBB060315 [1,1,0,0,0,0|1,0,0]=3 193 B7R0.3 CCCCC(=O)NN SBB028196 [1,1,0,0,0,0|1,0,0]=3 194 B7R0.3 CCCCC(Cl)CCl SBB060394 [1,1,0,0,0,0|1,0,1]=4 195 B7R0.3 CCCNC(=O)CCl SBB016586 [1,1,0,0,0,0|1,0,0]=3 196 B7R0.3 CCCOC(=O)CCl SBB060962 [1,1,0,0,0,0|0,0,0]=2 197 B7R0.3 CCCOC(=O)CS SBB061003 [1,1,0,0,0,0|0,0,0]=2 198 B7R0.3 CCOCC(=O)NN SBB080108 [1,1,0,0,0,0|2,0,0]=4 199 B7R0.3 CNCCC(=O)NC SBB046578 [1,1,0,0,0,0|1,0,0]=3 200 B7R0.3 CNCCC(=O)NC SBB080433 [1,1,0,0,0,0|1,0,0]=3 201 B7R0.3 COC(=N)CCCCl SBB056505 [1,1,0,0,0,0|2,0,0]=4 202 B7R0.3 N(N)C(=O)CCOC SBB059492 [1,1,0,0,0,0|2,0,0]=4 203 B7R0.3 NNC(=O)CCCO SBB028199 [1,1,0,0,0,0|2,0,0]=4 204 B7R0.3 O=C(CCl)OCCCl SBB061273 [1,1,0,0,0,0|1,0,0]=3 205 B7R0.5 CCCC(Br)C(=O)O SBB065976 [1,1,0,0,0,0|1,0,0]=3 206 B7R0.5 CCCC(C)C(=O)O SBB065915 [1,1,0,0,0,0|1,0,0]=3 207 B7R0.5 CCCC(C)C(C)O SBB061491 [1,1,0,0,0,0|0,0,2]=4 208 B7R0.5 CCC[C@@H](N)C(=O)O SBB065919 [1,1,0,0,0,0|1,0,0]=3 209 B7R0.5 CSC[C@H](N)C(=O)O SBB066379 [1,1,0,0,0,0|2,0,0]=4 210 B7R0.5 NC(CCO)C(=O)O SBB065734 [1,1,0,0,0,0|2,0,0]=4 211 B7R0.5 NC(CCS)C(=O)O SBB065757 [1,1,0,0,0,0|2,0,0]=4 212 B7R0.5 NCCC(N)C(=O)O SBB053580 [1,1,0,0,0,0|2,0,0]=4 213 B7R0.5 NCCC(N)C(=O)O SBB066000 [1,1,0,0,0,0|2,0,0]=4 214 B7R0.5 NCCC(O)C(=O)O SBB066010 [1,1,0,0,0,0|2,0,0]=4 215 B7R0.5 NCC[C@H](N)C(=O)O SBB003640 [1,1,0,0,0,0|2,0,0]=4 216 B7R0.6 CC(=O)CCC(=O)O SBB040561 [1,1,0,0,0,0|1,0,1]=4 217 B7R0.6 CC(=O)CCC(C)=O SBB040811 [1,1,0,0,0,0|0,0,1]=3 218 B7R0.6 CC(C)CCC(=O)O SBB065829 [1,1,0,0,0,0|1,0,0]=3 219 B7R0.6 CC(C)CCC(C)N SBB008544 [1,1,0,0,0,0|1,0,1]=4 220 B7R0.6 CC(C)CCC(C)O SBB061318 [1,1,0,0,0,0|0,0,2]=4 221 B7R0.6 CC(C)CNC(N)=O SBB008242 [1,1,0,0,0,0|2,0,0]=4 222 B7R0.6 CC(O)COC(C)C SBB061008 [1,1,0,0,0,0|1,0,1]=4 223 B7R0.8 CCCCS(=O)(=O)Cl SBB061680 [1,1,0,0,0,0|2,0,0]=4 224 B7R0.8 [NH3+]CCCS(C)(=O)=O SBB088827 [1,1,0,0,0,0|2,0,0]=4 225 B7R0.1 C=CCCCCCC SBB059884 [1,1,0,0,0,0|1,0,1]=4 226 B7R0.1 C=CCSCCCC SBB058522 [1,1,0,0,0,0|0,1,1]=4 227 B7R0.1 CCCCC#CCO SBB008796 [1,1,0,0,0,0|1,0,1]=4 228 B7R0.1 CCCCCCCBr SBB059936 [1,1,0,0,0,0|1,0,1]=4 229 B7R0.1 CCCCCCCCl SBB059954 [1,1,0,0,0,0|1,0,1]=4 230 B7R0.1 CCCCCCCN SBB059985 [1,1,0,0,0,0|1,0,1]=4 231 B7R0.1 CCCCCCOC SBB061157 [1,1,0,0,0,0|1,0,1]=4 232 B7R0.1 CCCCCOC=O SBB060301 [1,1,0,0,0,0|0,0,0]=2 233 B7R0.1 CCCCNCCC SBB059822 [1,1,0,0,0,0|1,0,1]=4 234 B7R0.1 CCCCOCCBr SBB007731 [1,1,0,0,0,0|0,0,1]=3 235 B7R0.1 CCCCOCCCl SBB059964 [1,1,0,0,0,0|0,0,1]=3 236 B7R0.1 CCCCOCCO SBB059918 [1,1,0,0,0,0|0,0,1]=3 237 B7R0.1 CCCCSCCN SBB072659 [1,1,0,0,0,0|0,1,1]=4 238 B7R0.1 CCCCSCCO SBB013616 [1,1,0,0,0,0|0,1,1]=4 239 B7R0.1 CCCCSCCS SBB057435 [1,1,0,0,0,0|0,1,1]=4 240 B7R0.1 CCCOCCCN SBB056585 [1,1,0,0,0,0|1,0,1]=4 241 B7R0.1 CCNCCCCO SBB052126 [1,1,0,0,0,0|1,0,1]=4 242 B7R0.1 CCNCCNCC SBB072869 [1,1,0,0,0,0|1,0,1]=4 243 B7R0.1 COCCOCCCl SBB059966 [1,1,0,0,0,0|1,0,1]=4 244 B7R0.1 COCCOCCO SBB059920 [1,1,0,0,0,0|1,0,1]=4 245 B7R0.1 COCCOCCS SBB061387 [1,1,0,0,0,0|1,0,1]=4 246 B7R0.1 C\C=C\CCCCC SBB059885 [1,1,0,0,0,0|1,0,0]=3 247 B7R0.7 CCCC(N)CCC SBB018801 [1,1,0,0,0,0|1,0,1]=4 248 B7R0.7 CCCC(O)CCC SBB061327 [1,1,0,0,0,0|1,0,1]=4 249 B7R0.7 CCOC(C)OCC SBB058503 [1,1,0,0,0,0|1,0,1]=4 250 B9R0.14 CCCC(CC)OC(C)=O SBB060029 [0,2,0,0,0,0|0,0,0]=2 251 B9R0.1 C=C(C)C#CCC(O)CC SBB009083 [0,2,0,0,0,0|2,0,0]=4 252 B9R0.1 CC(C)CCOC(=O)CCl SBB060961 [0,2,0,0,0,0|0,0,0]=2 253 B9R0.1 CCC(C)NCCC(N)=O SBB116742 [0,2,0,0,0,0|2,0,0]=4 254 B9R0.1 COC(=O)\C=C\CC(C)C SBB054119 [0,2,0,0,0,0|1,0,1]=4 255 B9R0.5 CCCC#CC(=O)OCC SBB008805 [0,2,0,0,0,0|1,0,1]=4 256 B9R0.5 CCCCCC(=O)CCC SBB005828 [0,2,0,0,0,0|1,0,0]=3 257 B9R0.5 CCCCCC(=O)OCC SBB060316 [0,2,0,0,0,0|1,0,0]=3 258 B9R0.5 CCCCOC(=O)CCC SBB061107 [0,2,0,0,0,0|0,0,0]=2 259 B9R0.5 CCOC(=O)CCCCBr SBB070781 [0,2,0,0,0,0|2,0,0]=4 260 B9R0.8 COC(=O)C(N)CCCN SBB072642 [0,2,0,0,0,0|2,0,0]=4 261 B9R0.8 COC(=O)C(N)CCSC SBB003548 [0,2,0,0,0,0|2,0,0]=4 262 B9R0.8 N[C@@H](CCSC)C(=O)OC SBB005764 [0,2,0,0,0,0|2,0,0]=4 263 B9R0.46 CCCCC#CC(=O)OC SBB009075 [0,2,0,0,0,0|1,0,0]=3 264 B9R0.46 CCCCCCC(=O)CC SBB007744 [0,2,0,0,0,0|1,0,0]=3 265 B9R0.46 CCCCCCC(=O)NN SBB021011 [0,2,0,0,0,0|2,0,0]=4 266 B9R0.46 CCCCCCC(=O)OC SBB060317 [0,2,0,0,0,0|1,0,0]=3 267 B9R0.46 CCCCCNC(=O)CCl SBB017391 [0,2,0,0,0,0|1,0,0]=3 268 B9R0.46 CCCCCOC(=O)CC SBB058817 [0,2,0,0,0,0|0,0,0]=2 269 B9R0.46 CCCCCOC(=O)CCl SBB060707 [0,2,0,0,0,0|0,0,0]=2 270 B9R0.46 CCCCCOC(=O)CS SBB061204 [0,2,0,0,0,0|0,0,0]=2 271 B9R0.46 CCCCOCC(O)CC SBB061149 [0,2,0,0,0,0|0,0,2]=4 272 B9R0.46 CCCCOCC(O)CCl SBB059972 [0,2,0,0,0,0|0,0,2]=4 273 B9R0.46 CCCCOCC(O)CO SBB060185 [0,2,0,0,0,0|0,0,2]=4 274 B9R0.46 COC(=O)CCCCCN SBB003739 [0,2,0,0,0,0|1,0,0]=3 275 B9R0.46 COCCCNC(=O)CCl SBB017961 [0,2,0,0,0,0|1,0,0]=3 276 B9R0.46 NNC(=O)CCCCCO SBB072600 [0,2,0,0,0,0|2,0,0]=4 277 B9R0.47 CCCCCC(=O)N(C)C SBB008014 [0,2,0,0,0,0|1,0,0]=3 278 B9R0.47 CCCCNC(=O)N(C)C SBB008135 [0,2,0,0,0,0|1,0,0]=3 279 B9R0.47 CCCCOC(=O)C(C)Cl SBB056574 [0,2,0,0,0,0|0,0,0]=2 280 B9R0.47 CCCCOC(=O)C(C)O SBB061171 [0,2,0,0,0,0|0,0,0]=2 281 B9R0.47 CCCCOC(=O)C(F)Cl SBB088217 [0,2,0,0,0,0|0,0,0]=2 282 B9R0.47 CCCCOC(=O)C(F)F SBB086822 [0,2,0,0,0,0|0,0,0]=2 283 B9R0.47 NCCCC[C@@H](N)C(=O)O SBB003731 [0,2,0,0,0,0|2,0,0]=4 284 B9R0.47 NCCCC[C@@H](N)C(=O)O SBB062859 [0,2,0,0,0,0|2,0,0]=4 285 B9R0.47 NCCCC[C@H](N)C(=O)O SBB062982 [0,2,0,0,0,0|2,0,0]=4 286 B9R0.2 CC(=O)OCCOCCCl SBB060310 [0,2,0,0,0,0|0,0,0]=2 287 B9R0.2 CCCCCCCC(=O)Cl SBB060013 [0,2,0,0,0,0|2,0,0]=4 288 B9R0.2 CCCCCCCC(=O)O SBB060020 [0,2,0,0,0,0|2,0,0]=4 289 B9R0.2 CCCCCCCC(C)=O SBB061540 [0,2,0,0,0,0|1,0,0]=3 290 B9R0.2 CCCCCCCC(N)=O SBB061055 [0,2,0,0,0,0|2,0,0]=4 291 B9R0.2 CCCCCCOC(C)=O SBB060306 [0,2,0,0,0,0|0,0,0]=2 292 B9R0.2 CCCCSCCC(=O)O SBB001705 [0,2,0,0,0,0|1,1,0]=4 293 B9R0.2 CCOCCOCC(C)O SBB061150 [0,2,0,0,0,0|0,0,2]=4 294 B9R0.2 COCCNCCC(N)=O SBB116772 [0,2,0,0,0,0|2,0,0]=4 295 B9R0.2 NCCCCCCC(=O)O SBB072673 [0,2,0,0,0,0|2,0,0]=4 296 B9R0.2 O=C(O)CCCCCCO SBB059715 [0,2,0,0,0,0|2,0,0]=4 297 B9R0.48 CCCC(=O)CCC(C)=O SBB008161 [0,2,0,0,0,0|1,0,0]=3 298 B9R0.48 CCOC(=O)CNC(C)=O SBB061661 [0,2,0,0,0,0|1,0,1]=4 299 B9R0.55 CC(=O)CCCCC(=O)O SBB068339 [0,2,0,0,0,0|1,0,1]=4 300 B9R0.55 CC(=O)CCCOC(C)=O SBB001556 [0,2,0,0,0,0|0,0,0]=2 301 B9R0.55 CC(=O)NCCCC(=O)O SBB028464 [0,2,0,0,0,0|1,0,1]=4 302 B9R0.55 CC(=O)NCCNC(C)=O SBB007829 [0,2,0,0,0,0|1,0,1]=4 303 B9R0.55 CC(=O)OCCOC(C)=O SBB060701 [0,2,0,0,0,0|0,0,1]=3 304 B9R0.55 CC(C)CCCCC(=O)O SBB065917 [0,2,0,0,0,0|2,0,0]=4 305 B9R0.13 CCCCC(CC)C(=O)Cl SBB058897 [0,2,0,0,0,0|2,0,0]=4 306 B9R0.13 CCCCC(CC)C(=O)O SBB060021 [0,2,0,0,0,0|2,0,0]=4 307 B9R0.13 CCCCC(CC)C(N)=O SBB061054 [0,2,0,0,0,0|2,0,0]=4 308 B9R0.56 CC(=O)OCC[N+](C)(C)C SBB058711 [0,2,0,0,0,0|1,0,0]=3 309 B9R0.56 C[N+](C)(C)CCOC(N)=O SBB057998 [0,2,0,0,0,0|2,0,0]=4 310 B7R1.2 O=C1COC(=O)C1 SBB008561 [1,0,0,1,0,0|1,0,1]=4 311 B7R1.2 O=C1C[C@H](O)CO1 SBB055783 [1,0,0,1,0,0|1,0,0]=3 312 B7R1.3 BrC1CCCCC1 SBB059944 [1,0,0,1,0,0|1,0,1]=4 313 B7R1.3 CC1CCCCC1 SBB061163 [1,0,0,1,0,0|1,0,1]=4 314 B7R1.3 CN1CCCCC1 SBB060237 [1,0,0,1,0,0|2,0,0]=4 315 B7R1.3 N1CCCCC1C SBB027300 [1,0,0,1,0,0|1,0,1]=4 316 B7R1.3 NC1CCCCC1 SBB040492 [1,0,0,1,0,0|1,0,1]=4 317 B7R1.3 NN1CCCCC1 SBB067336 [1,0,0,1,0,0|2,0,0]=4 318 B7R1.3 O=C1C=CCCC1 SBB008209 [1,0,0,1,0,0|0,0,2]=4 319 B7R1.3 O=C1CCCCC1 SBB060074 [1,0,0,1,0,0|0,0,0]=2 320 B7R1.3 O=C1CCCCO1 SBB060349 [1,0,0,1,0,0|0,0,0]=2 321 B7R1.3 O=C1CCOCC1 SBB049627 [1,0,0,1,0,0|1,0,0]=3 322 B7R1.3 O=C1CCSCC1 SBB048121 [1,0,0,1,0,0|1,0,0]=3 323 B7R1.3 O=C1CNCCN1 SBB000034 [1,0,0,1,0,0|2,0,0]=4 324 B7R1.3 OC1CCCCC1 SBB060483 [1,0,0,1,0,0|0,0,2]=4 325 B7R1.3 OC1CCCCO1 SBB055947 [1,0,0,1,0,0|0,0,2]=4 326 B7R1.7 CCCCC1CO1 SBB017137 [1,0,0,1,0,0|0,0,2]=4 327 B7R1.10 C=C1CC(CN)C1 SBB052508 [1,0,0,1,0,0|2,0,0]=4 328 B7R1.10 O=C1CC(CO)C1 SBB054867 [1,0,0,1,0,0|1,0,0]=3 329 B7R1.12 C[C@H]1C[C@H]1C(=O)O SBB069055 [1,0,0,1,0,0|1,0,0]=3 330 B7R1.14 O=S1(=O)CCCC1 SBB057389 [1,0,0,1,0,0|2,0,0]=4 331 B7R1.18 NC(=O)C1CCC1 SBB111823 [1,0,0,1,0,0|1,0,0]=3 332 B7R1.18 O=C(Cl)C1CCC1 SBB007882 [1,0,0,1,0,0|1,0,0]=3 333 B7R1.18 O=C(O)C1CCC1 SBB053465 [1,0,0,1,0,0|1,0,0]=3 334 B7R1.18 O=C(O)C1CCN1 SBB053470 [1,0,0,1,0,0|2,0,0]=4 335 B7R1.18 O=C(O)C1CNC1 SBB027353 [1,0,0,1,0,0|2,0,0]=4 336 B7R1.18 O=C(O)[C@@H]1CCN1 SBB004365 [1,0,0,1,0,0|2,0,0]=4 337 B7R1.20 O=C(O)CC1CC1 SBB005442 [1,0,0,1,0,0|1,0,0]=3 338 B7R1.1 O=CC1CCCC1 SBB069481 [1,0,0,1,0,0|1,0,0]=3 339 B7R1.1 O=CC1CCOC1 SBB052278 [1,0,0,1,0,0|2,0,0]=4 340 B7R1.4 CN1CCCC1=O SBB060297 [1,0,0,1,0,0|2,0,0]=4 341 B7R1.4 NC1CCOC1=O SBB004366 [1,0,0,1,0,0|1,0,0]=3 342 B7R1.4 NC1CCOC1=O SBB057192 [1,0,0,1,0,0|1,0,0]=3 343 B7R1.4 NC1CCSC1=O SBB004035 [1,0,0,1,0,0|1,1,0]=4 344 B7R1.4 O=C1OCCC1Br SBB083094 [1,0,0,1,0,0|1,0,0]=3 345 B7R1.24 C1=CCCCCC1 SBB059889 [1,0,0,1,0,0|1,0,0]=3 346 B7R1.24 C1CCCCCC1 SBB060406 [1,0,0,1,0,0|1,0,1]=4 347 B7R1.24 C1CNCCOC1 SBB049498 [1,0,0,1,0,0|1,0,1]=4 348 B7R1.24 N1CCCCCC1 SBB027297 [1,0,0,1,0,0|1,0,1]=4 349 B9R1.7 CCCC1=NNC(=O)C1 SBB116793 [0,1,0,1,0,0|1,0,1]=4 350 B9R1.7 CCCC1OCC(C)O1 SBB060973 [0,1,0,1,0,0|0,0,2]=4 351 B9R1.7 CNCC1CC(C)=NO1 SBB027045 [0,1,0,1,0,0|2,0,0]=4 352 B9R1.13 CC(=O)CC1CCCC1 SBB008343 [0,1,0,1,0,0|1,0,0]=3 353 B9R1.13 CC(=O)OC1CCCC1 SBB060737 [0,1,0,1,0,0|0,0,0]=2 354 B9R1.13 O=C(Cl)CC1CCCC1 SBB116687 [0,1,0,1,0,0|2,0,0]=4 355 B9R1.13 O=C(Cl)OC1CCCC1 SBB056243 [0,1,0,1,0,0|1,0,0]=3 356 B9R1.13 O=C(O)CC1CCCC1 SBB080711 [0,1,0,1,0,0|2,0,0]=4 357 B9R1.13 O=C(O)CC1CCCO1 SBB002788 [0,1,0,1,0,0|2,0,0]=4 358 B9R1.13 O=C(O)CN1CCCC1 SBB017909 [0,1,0,1,0,0|2,0,0]=4 359 B9R1.13 O=C(O)C[C@@H]1CCCN1 SBB066746 [0,1,0,1,0,0|2,0,0]=4 360 B9R1.34 CC1CC(=O)CC(=O)C1 SBB042020 [0,1,0,1,0,0|1,0,1]=4 361 B9R1.34 CC1CC(=O)CC(C)O1 SBB056218 [0,1,0,1,0,0|2,0,0]=4 362 B9R1.41 CC(=O)N1CCCC1=O SBB007922 [0,1,0,1,0,0|1,0,1]=4 363 B9R1.41 CN1CCCC1C(=O)O SBB108828 [0,1,0,1,0,0|2,0,0]=4 364 B9R1.48 O=C1CCCCC(=O)C1 SBB056238 [0,1,0,1,0,0|1,0,1]=4 365 B9R1.53 CC(=O)OC1CC(=O)N1 SBB056246 [0,1,0,1,0,0|1,0,1]=4 366 B9R1.66 CC1(C)CC(=O)CCO1 SBB048828 [0,1,0,1,0,0|2,0,0]=4 367 B9R1.1 CCC1CCC(=O)CC1 SBB059272 [0,1,0,1,0,0|1,0,0]=3 368 B9R1.1 CCN1CCC(=O)CC1 SBB061714 [0,1,0,1,0,0|2,0,0]=4 369 B9R1.1 O=C1CCC(CO)CC1 SBB054860 [0,1,0,1,0,0|2,0,0]=4 370 B9R1.2 CCN1CCCC(=O)C1 SBB056089 [0,1,0,1,0,0|1,0,0]=3 371 B9R1.2 O=C1CCCC(CO)C1 SBB054862 [0,1,0,1,0,0|1,0,0]=3 372 B9R1.3 CC1CCCC(C)C1=O SBB059688 [0,1,0,1,0,0|1,0,1]=4 373 B9R1.5 CN1CCCCCC1=O SBB056535 [0,1,0,1,0,0|1,0,0]=3 374 B9R1.5 NC1CCCCNC1=O SBB056282 [0,1,0,1,0,0|1,0,0]=3 375 B9R1.5 N[C@H]1CSCCNC1=O SBB069999 [0,1,0,1,0,0|2,0,0]=4 376 B9R1.5 O=C1CCCCCN1Br SBB057855 [0,1,0,1,0,0|1,0,0]=3 377 B9R1.11 COC(=O)C1CCCC1 SBB071502 [0,1,0,1,0,0|1,0,0]=3 378 B9R1.11 COC(=O)C1CCCN1 SBB046302 [0,1,0,1,0,0|2,0,0]=4 379 B9R1.11 COC(=O)C1CCCN1 SBB054027 [0,1,0,1,0,0|2,0,0]=4 380 B9R1.11 COC(=O)[C@@H]1CCCN1 SBB003904 [0,1,0,1,0,0|2,0,0]=4 381 B9R1.11 NNC(=O)C1CCCC1 SBB046301 [0,1,0,1,0,0|2,0,0]=4 382 B9R1.11 O=C(CCl)N1CCCC1 SBB005370 [0,1,0,1,0,0|1,0,0]=3 383 B9R1.50 O=C1CCCCCCC1 SBB008888 [0,1,0,1,0,0|1,0,0]=3 384 B9R1.80 O=C(CCl)NCC1CC1 SBB085411 [0,1,0,1,0,0|1,0,0]=3 385 B9R1.89 O=CC1CCCCCC1 SBB059644 [0,1,0,1,0,0|1,0,1]=4 386 B9R1.6 CC(=O)C1CCOCC1 SBB055952 [0,1,0,1,0,0|1,0,0]=3 387 B9R1.6 CC(=O)N1CCNCC1 SBB027339 [0,1,0,1,0,0|1,0,0]=3 388 B9R1.6 CN(C)C1CCCCO1 SBB072697 [0,1,0,1,0,0|2,0,0]=4 389 B9R1.6 NC(=O)C1CCCCC1 SBB008414 [0,1,0,1,0,0|2,0,0]=4 390 B9R1.6 NC(=O)C1CCCCN1 SBB085724 [0,1,0,1,0,0|2,0,0]=4 391 B9R1.6 NC(=O)C1CCCNC1 SBB004239 [0,1,0,1,0,0|2,0,0]=4 392 B9R1.6 NC(=O)C1CCCOC1 SBB047762 [0,1,0,1,0,0|2,0,0]=4 393 B9R1.6 NC(=O)C1CCNCC1 SBB004237 [0,1,0,1,0,0|2,0,0]=4 394 B9R1.6 NC(=O)C1CCOCC1 SBB055946 [0,1,0,1,0,0|2,0,0]=4 395 B9R1.6 NC(=O)N1CCNCC1 SBB010258 [0,1,0,1,0,0|2,0,0]=4 396 B9R1.6 NC(=O)N1CCNCC1 SBB087950 [0,1,0,1,0,0|2,0,0]=4 397 B9R1.6 O=C(Cl)C1CCCCC1 SBB040626 [0,1,0,1,0,0|2,0,0]=4 398 B9R1.6 O=C(Cl)C1CCOCC1 SBB062712 [0,1,0,1,0,0|2,0,0]=4 399 B9R1.6 O=C(Cl)N1CCOCC1 SBB061723 [0,1,0,1,0,0|2,0,0]=4 400 B9R1.6 O=C(O)C1CCCCC1 SBB008550 [0,1,0,1,0,0|2,0,0]=4 401 B9R1.6 O=C(O)C1CCCCO1 SBB027215 [0,1,0,1,0,0|1,0,0]=3 402 B9R1.6 O=C(O)C1CCCNC1 SBB027313 [0,1,0,1,0,0|2,0,0]=4 403 B9R1.6 O=C(O)C1CCCOC1 SBB014997 [0,1,0,1,0,0|2,0,0]=4 404 B9R1.6 O=C(O)C1CCNCC1 SBB003906 [0,1,0,1,0,0|2,0,0]=4 405 B9R1.6 O=C(O)C1CCNCC1 SBB004231 [0,1,0,1,0,0|2,0,0]=4 406 B9R1.6 O=C(O)C1CCOCC1 SBB027643 [0,1,0,1,0,0|2,0,0]=4 407 B9R1.6 O=C(O)C1CCSCC1 SBB053436 [0,1,0,1,0,0|2,0,0]=4 408 B9R1.6 O=C(O)C1CNCCO1 SBB053358 [0,1,0,1,0,0|2,0,0]=4 409 B9R1.6 O=C(O)[C@@H]1CCCCN1 SBB006732 [0,1,0,1,0,0|2,0,0]=4 410 B9R1.6 OC(=O)C1=CCCCC1 SBB006589 [0,1,0,1,0,0|2,0,0]=4 411 B9R1.83 CCCCOCC1CO1 SBB060096 [0,1,0,1,0,0|0,0,2]=4 412 B9R1.84 O=C(O)CCC1CCC1 SBB072391 [0,1,0,1,0,0|2,0,0]=4 413 B9R1.23 CN1CC(CO)CC1=O SBB054853 [0,1,0,1,0,0|2,0,0]=4 414 B9R1.112 N[C@@H](CC1CC1)C(=O)O SBB065934 [0,1,0,1,0,0|2,0,0]=4 415 B9R1.163 OC(=O)C1(N)CCCC1 SBB004230 [0,1,0,1,0,0|2,0,0]=4 416 B9R1.125 CC1=NC(C)(CO)CO1 SBB007772 [0,1,0,1,0,0|2,0,0]=4 417 B9R2.39 O=C1CC2CCC1C2 SBB072159 [0,0,0,2,0,0|1,0,0]=3