0 B7R1.4 BrC1CCCC1Br SBB060684 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.4 CN1CCCC1=O SBB060297 [0,0,0,0,0,0|2,0,0]=2 2 B7R1.4 ClC1CCCC1Cl SBB060212 [0,0,0,0,0,0|3,0,1]=4 3 B7R1.4 NC1CCOC1=O SBB004366 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.4 NC1CCOC1=O SBB057192 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.4 NC1CCSC1=O SBB004035 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.4 N[C@H]1CONC1=O SBB006706 [0,0,0,0,0,0|4,0,0]=4 7 B7R1.4 O=C1OCCC1Br SBB083094 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.4 OC1CCCC1Cl SBB060196 [0,0,0,0,0,0|2,0,2]=4 9 B7R1.4 O[C@H]1CCC[C@H]1O SBB008502 [0,0,0,0,0,0|2,0,2]=4 10 B6R1.2 BrC1CCCC1 SBB040823 [1,0,0,0,0,0|2,0,1]=4 11 B6R1.2 CC1=NCCN1 SBB040067 [1,0,0,0,0,0|2,0,1]=4 12 B6R1.2 F[C@H]1CCNC1 SBB085616 [1,0,0,0,0,0|2,0,1]=4 13 B6R1.2 N1CCC(N)C1 SBB027337 [1,0,0,0,0,0|2,0,1]=4 14 B6R1.2 NC1CCCC1 SBB040467 [1,0,0,0,0,0|2,0,1]=4 15 B6R1.2 NC1CCNC1 SBB003982 [1,0,0,0,0,0|2,0,1]=4 16 B6R1.2 NN1CCCC1 SBB066760 [1,0,0,0,0,0|3,0,0]=4 17 B6R1.2 O=C1C=CCO1 SBB040281 [1,0,0,0,0,0|1,0,2]=4 18 B6R1.2 O=C1CCCC1 SBB040835 [1,0,0,0,0,0|1,0,0]=2 19 B6R1.2 O=C1CCCN1 SBB060296 [1,0,0,0,0,0|2,0,0]=3 20 B6R1.2 O=C1CCNN1 SBB007977 [1,0,0,0,0,0|2,0,0]=3 21 B6R1.2 O=C1CCSC1 SBB007947 [1,0,0,0,0,0|0,1,0]=2 22 B6R1.2 OC1=NNCC1 SBB047550 [1,0,0,0,0,0|2,0,1]=4 23 B6R1.2 OC1CCNC1 SBB056152 [1,0,0,0,0,0|1,0,2]=4 24 B6R1.2 O[C@H]1CCNC1 SBB004272 [1,0,0,0,0,0|1,0,2]=4 25 B6R1.2 O[C@H]1CCNC1 SBB027336 [1,0,0,0,0,0|1,0,2]=4 26 B6R1.2 O[C@H]1CCOC1 SBB062959 [1,0,0,0,0,0|0,0,2]=3 27 B8R1.11 CC1=C(C=O)C=CO1 SBB052277 [0,1,0,0,0,0|0,0,3]=4 28 B8R1.11 CN1CCCC1CO SBB108833 [0,1,0,0,0,0|3,0,0]=4 29 B8R1.18 CC1=CC(=O)C(C)O1 SBB055769 [0,1,0,0,0,0|0,0,2]=3 30 B8R1.18 CC1=NN(C)C(=O)C1 SBB055838 [0,1,0,0,0,0|2,0,1]=4 31 B8R1.18 CC1SC(=N)NC1=O SBB039661 [0,1,0,0,0,0|1,1,1]=4 32 B8R1.19 CC1(Br)CCOC1=O SBB057373 [0,1,0,0,0,0|2,0,0]=3 33 B8R1.50 CC1=C(C)C(=O)NC1 SBB055792 [0,1,0,0,0,0|2,0,1]=4 34 B8R1.50 CC1C(=O)CCC1=O SBB060744 [0,1,0,0,0,0|1,0,0]=2 35 B8R1.50 CN1C(=O)CN=C1S SBB032287 [0,1,0,0,0,0|3,0,0]=4 36 B8R1.50 CN1C(=O)CNC1=S SBB046300 [0,1,0,0,0,0|3,0,0]=4 37 B8R1.50 CN1C(=O)CSC1=S SBB023537 [0,1,0,0,0,0|3,0,0]=4 38 B8R1.50 CN1CCN(C)C1=O SBB008346 [0,1,0,0,0,0|3,0,0]=4 39 B8R1.50 O=C1CCC(=O)N1Br SBB007826 [0,1,0,0,0,0|3,0,0]=4 40 B8R1.50 O=C1CCC(=O)N1Cl SBB058749 [0,1,0,0,0,0|3,0,0]=4 41 B8R1.50 O=C1CCC(=O)N1I SBB056268 [0,1,0,0,0,0|3,0,0]=4 42 B8R1.50 O=C1COC(=O)C1Cl SBB059534 [0,1,0,0,0,0|3,0,0]=4 43 B6R0.1 C=CC(=O)OCC SBB060348 [0,0,1,0,0,0|2,0,1]=4 44 B6R0.1 CCCC(=O)CC SBB061496 [0,0,1,0,0,0|1,0,0]=2 45 B6R0.1 CCCC(=O)NN SBB028175 [0,0,1,0,0,0|3,0,0]=4 46 B6R0.1 CCCC(=O)OC SBB061104 [0,0,1,0,0,0|2,0,0]=3 47 B6R0.1 CCCC(C)CO SBB061282 [0,0,1,0,0,0|1,0,2]=4 48 B6R0.1 CCCC(O)CC SBB061363 [0,0,1,0,0,0|1,0,2]=4 49 B6R0.1 CCNC(=O)CBr SBB051008 [0,0,1,0,0,0|3,0,0]=4 50 B6R0.1 CCNC(=O)CCl SBB008200 [0,0,1,0,0,0|3,0,0]=4 51 B6R0.1 CCNC(C)CO SBB046531 [0,0,1,0,0,0|1,0,2]=4 52 B6R0.1 CCOC(=O)CBr SBB060995 [0,0,1,0,0,0|3,0,0]=4 53 B6R0.1 CCOC(=O)CC SBB060312 [0,0,1,0,0,0|2,0,0]=3 54 B6R0.1 CNC(C)CCO SBB046542 [0,0,1,0,0,0|2,0,1]=4 55 B6R0.1 COC(=O)CC#N SBB059483 [0,0,1,0,0,0|2,0,1]=4 56 B6R0.1 COC(=O)CCBr SBB070709 [0,0,1,0,0,0|2,0,0]=3 57 B6R0.1 COC(=O)CCN SBB071679 [0,0,1,0,0,0|2,0,0]=3 58 B6R0.1 OCNC(=O)CCl SBB004273 [0,0,1,0,0,0|2,0,0]=3 59 B6R0.1 [NH3+]CC(=O)OCC SBB056599 [0,0,1,0,0,0|3,0,0]=4 60 B6R0.3 C=C(C)C(=O)OC SBB060556 [0,0,1,0,0,0|2,0,1]=4 61 B6R0.3 CC(=O)\C(C)=N/O SBB061682 [0,0,1,0,0,0|2,0,1]=4 62 B6R0.3 CC(C)C(=O)NN SBB030401 [0,0,1,0,0,0|3,0,0]=4 63 B6R0.3 CC(CN)C(=O)O SBB061656 [0,0,1,0,0,0|3,0,0]=4 64 B6R0.3 CCC(=O)C(C)=O SBB061626 [0,0,1,0,0,0|0,0,2]=3 65 B6R0.3 CCC(Br)C(=O)O SBB040791 [0,0,1,0,0,0|3,0,0]=4 66 B6R0.3 CCC(C)C(C)C SBB061452 [0,0,1,0,0,0|2,0,1]=4 67 B6R0.3 CCC(N)C(N)=O SBB017505 [0,0,1,0,0,0|3,0,0]=4 68 B6R0.3 CC[C@H](N)C(=O)O SBB053588 [0,0,1,0,0,0|3,0,0]=4 69 B6R0.3 CN(C)C(=O)CCl SBB038711 [0,0,1,0,0,0|3,0,0]=4 70 B6R0.3 CN[C@@H](C)C(=O)O SBB069105 [0,0,1,0,0,0|2,0,0]=3 71 B6R0.3 CN[C@@H](C)C(=O)O SBB069106 [0,0,1,0,0,0|2,0,0]=3 72 B6R0.3 COC(=O)C(C)C SBB061111 [0,0,1,0,0,0|2,0,0]=3 73 B6R0.3 COC(=O)C(C)N SBB007634 [0,0,1,0,0,0|2,0,0]=3 74 B6R0.3 COC(=O)C(F)F SBB021971 [0,0,1,0,0,0|3,0,0]=4 75 B6R0.3 C\C=C(\C)C(=O)O SBB071598 [0,0,1,0,0,0|2,0,1]=4 76 B6R0.3 O=C(O)C(=O)CBr SBB053571 [0,0,1,0,0,0|2,0,1]=4 77 B6R0.3 O=C(O)C(=O)CBr SBB053584 [0,0,1,0,0,0|2,0,1]=4 78 B6R0.6 C#CCCCCC SBB067441 [0,0,1,0,0,0|2,0,1]=4 79 B6R0.6 C=CCCCCBr SBB054740 [0,0,1,0,0,0|3,0,0]=4 80 B6R0.6 C=CCCCCC SBB059882 [0,0,1,0,0,0|2,0,0]=3 81 B6R0.6 CCCCCC#N SBB060051 [0,0,1,0,0,0|2,0,1]=4 82 B6R0.6 CCCCCCBr SBB059934 [0,0,1,0,0,0|2,0,1]=4 83 B6R0.6 CCCCCCCl SBB059952 [0,0,1,0,0,0|2,0,1]=4 84 B6R0.6 CCCCCCN SBB059984 [0,0,1,0,0,0|2,0,1]=4 85 B6R0.6 CCCCCCO SBB059899 [0,0,1,0,0,0|1,0,2]=4 86 B6R0.6 CCCCCOC SBB061300 [0,0,1,0,0,0|3,0,0]=4 87 B6R0.6 CCCCNC=O SBB060026 [0,0,1,0,0,0|2,0,0]=3 88 B6R0.6 CCCCOC=O SBB060300 [0,0,1,0,0,0|2,0,0]=3 89 B6R0.6 CCCCSCC SBB061178 [0,0,1,0,0,0|1,1,1]=4 90 B6R0.6 CCC\C=C\C=O SBB067097 [0,0,1,0,0,0|1,0,2]=4 91 B6R0.6 CCNCCC#N SBB006528 [0,0,1,0,0,0|2,0,1]=4 92 B6R0.6 CCOCCC#N SBB067181 [0,0,1,0,0,0|1,0,1]=3 93 B6R0.6 CCOCCCN SBB028180 [0,0,1,0,0,0|1,0,1]=3 94 B8R1.4 CC1=CC(=O)CCC1 SBB007736 [0,0,0,0,0,1|1,0,1]=3 95 B8R1.4 CC1CCCC(C)C1 SBB061164 [0,0,0,0,0,1|2,0,1]=4 96 B8R1.4 CC1CCCC(C)N1 SBB004313 [0,0,0,0,0,1|2,0,1]=4 97 B8R1.4 CC1CCCC(O)C1 SBB061310 [0,0,0,0,0,1|1,0,2]=4 98 B8R1.4 CC1CCNC(C)C1 SBB004310 [0,0,0,0,0,1|2,0,1]=4 99 B8R1.4 NC1=CC(=O)CCC1 SBB028190 [0,0,0,0,0,1|2,0,1]=4 100 B8R1.4 O=C1CCCC(=O)C1 SBB061546 [0,0,0,0,0,1|2,0,1]=4 101 B8R1.4 O=C1CCCC(=O)O1 SBB060010 [0,0,0,0,0,1|2,0,1]=4 102 B8R1.4 O=C1CCNC(=O)N1 SBB007702 [0,0,0,0,0,1|2,0,1]=4 103 B8R1.5 CC1=C(C)CCCC1 SBB060472 [0,0,0,0,0,1|2,0,1]=4 104 B8R1.5 CC1=NCCCN1C SBB001664 [0,0,0,0,0,1|3,0,0]=4 105 B8R1.5 CC1CCCCC1=O SBB058517 [0,0,0,0,0,1|1,0,0]=2 106 B8R1.5 CC1CCCCC1N SBB061724 [0,0,0,0,0,1|2,0,1]=4 107 B8R1.5 CC1CCCCN1C SBB060747 [0,0,0,0,0,1|3,0,0]=4 108 B8R1.5 CC1CCCNC1C SBB027556 [0,0,0,0,0,1|2,0,1]=4 109 B8R1.5 CC1CNCCC1O SBB300760 [0,0,0,0,0,1|1,0,2]=4 110 B8R1.5 CC1NCCNC1=O SBB080100 [0,0,0,0,0,1|1,0,0]=2 111 B8R1.5 CC1SCCNC1=O SBB111924 [0,0,0,0,0,1|0,1,0]=2 112 B8R1.5 NC1CCCNC1=O SBB012739 [0,0,0,0,0,1|2,0,0]=3 113 B8R1.5 O=C1CCCCC1Cl SBB061548 [0,0,0,0,0,1|2,0,0]=3 114 B8R1.5 O=C1NCCNC1=O SBB079701 [0,0,0,0,0,1|2,0,1]=4 115 B5R0.1 CC(=O)CC#N SBB014113 [1,0,1,0,0,0|1,0,1]=4 116 B5R0.1 CC(C)CCO SBB060162 [1,0,1,0,0,0|1,0,1]=4 117 B5R0.1 CCCC(=O)Cl SBB040624 [1,0,1,0,0,0|2,0,0]=4 118 B5R0.1 CCOC(=O)Cl SBB040861 [1,0,1,0,0,0|1,0,1]=4 119 B5R0.1 COCC(=O)O SBB061376 [1,0,1,0,0,0|1,0,0]=3 120 B5R0.1 CS(=O)CCN SBB050811 [1,0,1,0,0,0|2,0,0]=4 121 B5R0.1 CSCC(=O)O SBB053570 [1,0,1,0,0,0|1,1,0]=4 122 B5R0.1 O=C(O)CCBr SBB065770 [1,0,1,0,0,0|2,0,0]=4 123 B5R0.1 O=C(O)CCCl SBB069140 [1,0,1,0,0,0|2,0,0]=4 124 B5R0.2 CC#CCCO SBB009118 [1,0,1,0,0,0|0,0,2]=4 125 B5R0.2 CCC#CCO SBB009120 [1,0,1,0,0,0|0,0,2]=4 126 B5R0.2 CCCCCBr SBB059933 [1,0,1,0,0,0|1,0,1]=4 127 B5R0.2 CCCCCCl SBB059951 [1,0,1,0,0,0|1,0,1]=4 128 B5R0.2 CCOCCBr SBB008332 [1,0,1,0,0,0|1,0,0]=3 129 B5R0.2 CCOCCCl SBB061015 [1,0,1,0,0,0|1,0,0]=3 130 B5R0.2 CCOCCN SBB072161 [1,0,1,0,0,0|1,0,0]=3 131 B5R0.2 CCSCCN SBB017894 [1,0,1,0,0,0|1,1,0]=4 132 B5R0.2 CSCCCO SBB056451 [1,0,1,0,0,0|1,0,1]=4 133 B5R0.2 OCCCCCl SBB002444 [1,0,1,0,0,0|1,0,1]=4 134 B5R0.3 CCC(=O)NN SBB021112 [1,0,1,0,0,0|2,0,0]=4 135 B5R0.3 CCC(C)CBr SBB007669 [1,0,1,0,0,0|1,0,1]=4 136 B5R0.3 CCC(N)CC SBB000050 [1,0,1,0,0,0|1,0,1]=4 137 B5R0.3 CCC(N)CC SBB071911 [1,0,1,0,0,0|1,0,1]=4 138 B5R0.3 CC\C(N)=N\O SBB024198 [1,0,1,0,0,0|2,0,0]=4 139 B5R0.3 CNC(=O)CBr SBB080576 [1,0,1,0,0,0|2,0,0]=4 140 B5R0.3 CNC(=O)CCl SBB049936 [1,0,1,0,0,0|2,0,0]=4 141 B5R0.3 COC(=O)CBr SBB056823 [1,0,1,0,0,0|2,0,0]=4 142 B5R0.3 COC(=O)CCl SBB040686 [1,0,1,0,0,0|2,0,0]=4 143 B5R0.3 NNC(=O)CO SBB111858 [1,0,1,0,0,0|2,0,0]=4 144 B5R0.5 CC(=O)C(C)Cl SBB060958 [1,0,1,0,0,0|1,0,0]=3 145 B5R0.5 CC(=O)C(F)F SBB021370 [1,0,1,0,0,0|2,0,0]=4 146 B5R0.5 CC(=S)N(C)C SBB007924 [1,0,1,0,0,0|1,1,0]=4 147 B5R0.5 CC(Br)C(=O)O SBB060286 [1,0,1,0,0,0|2,0,0]=4 148 B5R0.5 CC(C)C(=N)N SBB056456 [1,0,1,0,0,0|2,0,0]=4 149 B5R0.5 CC(C)C(=O)Cl SBB060269 [1,0,1,0,0,0|1,0,0]=3 150 B5R0.5 CC(O)C(=O)O SBB065762 [1,0,1,0,0,0|1,0,0]=3 151 B5R0.5 CN(C)C(=O)Cl SBB040876 [1,0,1,0,0,0|2,0,0]=4 152 B5R0.5 CN(C)C(=O)[O-] SBB059132 [1,0,1,0,0,0|2,0,0]=4 153 B5R1.1 C1CSCN1 SBB111928 [2,0,0,0,0,0|1,1,0]=4 154 B7R0.2 CC(O)CC(=O)NN SBB072890 [0,1,1,0,0,0|2,0,0]=4 155 B7R0.2 CCC(=O)OC(C)C SBB061101 [0,1,1,0,0,0|2,0,0]=4 156 B7R0.3 C=C(CC)CCCC SBB060475 [0,1,1,0,0,0|2,0,0]=4 157 B7R0.3 CCC(=O)OCCCl SBB060315 [0,1,1,0,0,0|1,0,0]=3 158 B7R0.3 CCCNC(=O)CCl SBB016586 [0,1,1,0,0,0|2,0,0]=4 159 B7R0.3 CCCOC(=O)CCl SBB060962 [0,1,1,0,0,0|2,0,0]=4 160 B7R0.3 CCCOC(=O)CS SBB061003 [0,1,1,0,0,0|2,0,0]=4 161 B7R0.3 CCN(C)CCCO SBB046555 [0,1,1,0,0,0|2,0,0]=4 162 B7R0.3 CNCCC(=O)NC SBB046578 [0,1,1,0,0,0|2,0,0]=4 163 B7R0.3 CNCCC(=O)NC SBB080433 [0,1,1,0,0,0|2,0,0]=4 164 B7R0.3 N(N)C(=O)CCOC SBB059492 [0,1,1,0,0,0|2,0,0]=4 165 B7R0.3 NNC(=O)CCCO SBB028199 [0,1,1,0,0,0|2,0,0]=4 166 B7R0.3 O=C(CCl)OCCCl SBB061273 [0,1,1,0,0,0|2,0,0]=4 167 B7R0.5 CCCC(=O)N(C)C SBB008345 [0,1,1,0,0,0|2,0,0]=4 168 B7R0.5 CCCC(Br)C(=O)O SBB065976 [0,1,1,0,0,0|2,0,0]=4 169 B7R0.5 CCCC(C)C(=O)O SBB065915 [0,1,1,0,0,0|1,0,0]=3 170 B7R0.5 CCC[C@@H](N)C(=O)O SBB065919 [0,1,1,0,0,0|2,0,0]=4 171 B7R0.5 CCOC(=O)C(C)Br SBB058608 [0,1,1,0,0,0|2,0,0]=4 172 B7R0.5 CCOC(=O)C(C)C SBB060711 [0,1,1,0,0,0|2,0,0]=4 173 B7R0.5 CCOC(=O)C(C)N SBB004040 [0,1,1,0,0,0|2,0,0]=4 174 B7R0.5 CC\C=C(/C)C(=O)O SBB069108 [0,1,1,0,0,0|1,0,1]=4 175 B7R0.5 CN(C)C(=O)CCN SBB085472 [0,1,1,0,0,0|2,0,0]=4 176 B7R0.7 CCCC(=O)CCC SBB060386 [0,1,1,0,0,0|1,0,0]=3 177 B7R0.7 CCNC(=O)CC#N SBB000040 [0,1,1,0,0,0|1,0,1]=4 178 B7R0.7 CCNC(=O)NCC SBB058550 [0,1,1,0,0,0|2,0,0]=4 179 B7R0.7 CCNC(C)CCO SBB046562 [0,1,1,0,0,0|1,0,1]=4 180 B7R0.7 CCOC(=O)CC#N SBB040821 [0,1,1,0,0,0|1,0,1]=4 181 B7R0.7 CCOC(=O)CCBr SBB070739 [0,1,1,0,0,0|1,0,0]=3 182 B7R0.7 CCOC(=O)CCN SBB004038 [0,1,1,0,0,0|1,0,0]=3 183 B7R0.7 CCOC(=O)CNN SBB021976 [0,1,1,0,0,0|2,0,0]=4 184 B7R0.7 CCOC(=O)CNN SBB054137 [0,1,1,0,0,0|2,0,0]=4 185 B7R0.7 CCOC(=O)OCC SBB060086 [0,1,1,0,0,0|2,0,0]=4 186 B7R0.7 CCOC(C)OCC SBB058503 [0,1,1,0,0,0|1,0,1]=4 187 B7R0.7 N(C)CC(=O)OCC SBB004039 [0,1,1,0,0,0|2,0,0]=4 188 B7R0.7 O=C(NCO)NCO SBB071713 [0,1,1,0,0,0|2,0,0]=4 189 B7R0.10 CCC(Br)C(=O)OC SBB070737 [0,1,1,0,0,0|2,0,0]=4 190 B7R0.10 COC(=O)C(N)CO SBB004026 [0,1,1,0,0,0|1,0,0]=3 191 B7R0.10 COC(=O)C(N)CS SBB054105 [0,1,1,0,0,0|1,1,0]=4 192 B7R0.10 OC[C@H]([C@@H](C)CC)N SBB027248 [0,1,1,0,0,0|1,0,1]=4 193 B7R0.11 CCS(=O)(=O)CCCl SBB019269 [0,1,1,0,0,0|2,0,0]=4 194 B7R0.11 CCS(=O)(=O)CCO SBB008148 [0,1,1,0,0,0|1,0,0]=3 195 B7R0.12 CCN(CC)CCO SBB058521 [0,1,1,0,0,0|2,0,0]=4 196 B7R0.13 CCC(C)(C)C(=O)O SBB065772 [0,1,1,0,0,0|2,0,0]=4 197 B7R0.14 CC(C)(C)C(=O)CBr SBB006551 [0,1,1,0,0,0|2,0,0]=4 198 B7R0.14 CC(C)(C)C(=O)CCl SBB006668 [0,1,1,0,0,0|2,0,0]=4 199 B7R0.14 CC(C)(O)C(=O)NN SBB073233 [0,1,1,0,0,0|2,0,0]=4 200 B7R0.14 CNC(=O)C(C)(C)C SBB007942 [0,1,1,0,0,0|2,0,0]=4 201 B7R0.15 CCC(CC)C(=O)O SBB061341 [0,1,1,0,0,0|2,0,0]=4 202 B7R0.15 CCC(OC)C(N)=O SBB116762 [0,1,1,0,0,0|1,0,0]=3 203 B7R0.15 CNC(CS)C(=O)O SBB053575 [0,1,1,0,0,0|2,0,0]=4 204 B7R0.15 COC(OC)C(C)=O SBB060142 [0,1,1,0,0,0|0,0,0]=2 205 B7R0.15 COC(OC)N(C)C SBB056425 [0,1,1,0,0,0|2,0,0]=4 206 B7R0.16 CC(=O)C(Cl)C(C)=O SBB058797 [0,1,1,0,0,0|2,0,0]=4 207 B7R0.16 CC(=O)N(C)C(C)=O SBB007865 [0,1,1,0,0,0|2,0,0]=4 208 B7R0.16 CC(Br)C(=O)C(C)Br SBB070869 [0,1,1,0,0,0|1,0,0]=3 209 B7R0.16 CC(C(=O)O)N(C)C SBB046579 [0,1,1,0,0,0|2,0,0]=4 210 B7R0.1 C=CCCCCCC SBB059884 [0,1,1,0,0,0|2,0,0]=4 211 B7R0.1 C=CCSCCCC SBB058522 [0,1,1,0,0,0|2,0,0]=4 212 B7R0.1 CCCCCOC=O SBB060301 [0,1,1,0,0,0|1,0,0]=3 213 B7R0.1 CCCCOCCBr SBB007731 [0,1,1,0,0,0|1,0,1]=4 214 B7R0.1 CCCCOCCCl SBB059964 [0,1,1,0,0,0|1,0,1]=4 215 B7R0.1 CCCCOCCO SBB059918 [0,1,1,0,0,0|1,0,1]=4 216 B7R0.1 CCCOCCCN SBB056585 [0,1,1,0,0,0|1,0,1]=4 217 B7R0.1 COCCOCCCl SBB059966 [0,1,1,0,0,0|2,0,0]=4 218 B7R0.1 COCCOCCO SBB059920 [0,1,1,0,0,0|2,0,0]=4 219 B7R0.1 COCCOCCS SBB061387 [0,1,1,0,0,0|2,0,0]=4 220 B7R0.1 C\C=C\CCCCC SBB059885 [0,1,1,0,0,0|2,0,0]=4 221 B7R0.4 CC(C)OCCC#N SBB080430 [0,1,1,0,0,0|1,0,1]=4 222 B7R0.4 CC(C)OCCCN SBB061717 [0,1,1,0,0,0|1,0,1]=4 223 B7R0.4 CCCCCC(=O)Cl SBB060011 [0,1,1,0,0,0|1,0,0]=3 224 B7R0.4 CCCCCC(=O)O SBB053586 [0,1,1,0,0,0|1,0,0]=3 225 B7R0.4 CCCCCC(C)=O SBB061125 [0,1,1,0,0,0|1,0,0]=3 226 B7R0.4 CCCCCC(N)=O SBB061056 [0,1,1,0,0,0|1,0,0]=3 227 B7R0.4 CCCCOC(N)=O SBB060819 [0,1,1,0,0,0|2,0,0]=4 228 B7R0.4 CCOCCC(=O)O SBB053607 [0,1,1,0,0,0|0,0,0]=2 229 B7R0.4 NCCCCC(=O)O SBB061559 [0,1,1,0,0,0|2,0,0]=4 230 B7R0.4 O=C(O)CCCCBr SBB061343 [0,1,1,0,0,0|2,0,0]=4 231 B7R0.4 O=C(O)CCCCCl SBB061215 [0,1,1,0,0,0|2,0,0]=4 232 B7R0.4 OC(=O)C\C=C/CC SBB006610 [0,1,1,0,0,0|1,0,1]=4 233 B7R1.1 BrCC1CCCC1 SBB054968 [1,1,0,0,0,0|1,0,1]=4 234 B7R1.1 BrCC1CCCO1 SBB003909 [1,1,0,0,0,0|0,0,1]=3 235 B7R1.1 BrCC1OCCO1 SBB070708 [1,1,0,0,0,0|1,0,0]=3 236 B7R1.1 ClCC1CCCN1 SBB018633 [1,1,0,0,0,0|1,0,1]=4 237 B7R1.1 ClCC1CCCO1 SBB008957 [1,1,0,0,0,0|0,0,1]=3 238 B7R1.1 NCC1CCCO1 SBB028168 [1,1,0,0,0,0|0,0,1]=3 239 B7R1.1 O=CC1CCCC1 SBB069481 [1,1,0,0,0,0|1,0,1]=4 240 B7R1.1 O=CC1CCOC1 SBB052278 [1,1,0,0,0,0|0,0,1]=3 241 B7R1.1 OCC1CCCC1 SBB008516 [1,1,0,0,0,0|1,0,1]=4 242 B7R1.1 OCC1CCCO1 SBB058567 [1,1,0,0,0,0|0,0,1]=3 243 B7R1.1 OCC1OCCO1 SBB059646 [1,1,0,0,0,0|1,0,0]=3 244 B7R1.1 OC[C@H]1CCCN1 SBB027252 [1,1,0,0,0,0|1,0,1]=4 245 B7R1.1 ON=C1CCCC1 SBB060393 [1,1,0,0,0,0|1,0,1]=4 246 B7R1.2 O=C1CCC(=O)N1 SBB040866 [1,1,0,0,0,0|2,0,0]=4 247 B7R1.2 O=C1CCC(=O)O1 SBB040819 [1,1,0,0,0,0|2,0,0]=4 248 B7R1.2 O=C1COC(=O)C1 SBB008561 [1,1,0,0,0,0|0,0,1]=3 249 B7R1.2 O=C1C[C@H](O)CO1 SBB055783 [1,1,0,0,0,0|2,0,0]=4 250 B7R1.14 O=S1(=O)CCCC1 SBB057389 [1,1,0,0,0,0|2,0,0]=4 251 B9R1.2 CCN1CCCC(=O)C1 SBB056089 [0,1,0,0,0,1|2,0,0]=4 252 B9R1.2 CN1CCOC(CN)C1 SBB002810 [0,1,0,0,0,1|2,0,0]=4 253 B9R1.2 O=C1CCCC(CO)C1 SBB054862 [0,1,0,0,0,1|1,0,0]=3 254 B9R1.34 CC1=CC(O)CC(=O)O1 SBB055955 [0,1,0,0,0,1|1,0,1]=4 255 B9R1.34 CC1CC(=O)CC(=O)C1 SBB042020 [0,1,0,0,0,1|1,0,1]=4 256 B9R1.34 CC1CC(=O)CC(C)O1 SBB056218 [0,1,0,0,0,1|0,0,0]=2 257 B9R1.66 CC1(C)CC(=O)CCO1 SBB048828 [0,1,0,0,0,1|0,0,0]=2 258 B9R1.15 CCC1CCCOC1=O SBB061552 [0,1,0,0,0,1|1,0,0]=3 259 B9R1.15 CCC1NCCNC1=O SBB010255 [0,1,0,0,0,1|1,0,0]=3 260 B9R1.15 COC1CCCNC1=O SBB056098 [0,1,0,0,0,1|1,0,0]=3 261 B9R1.15 O=C1CCCCC1CO SBB054864 [0,1,0,0,0,1|1,0,0]=3 262 B9R1.40 CC1(C)NCCNC1=O SBB010254 [0,1,0,0,0,1|1,0,0]=3 263 B9R1.33 NCCN1CCCC1=O SBB300961 [0,2,0,0,0,0|2,0,0]=4 264 B9R1.33 O=C1CCCN1CCCl SBB010314 [0,2,0,0,0,0|2,0,0]=4 265 B9R1.41 CC(=O)C1CCOC1=O SBB040834 [0,2,0,0,0,0|2,0,0]=4 266 B9R1.41 CC(=O)N1CCCC1=O SBB007922 [0,2,0,0,0,0|2,0,0]=4 267 B9R1.23 CN1CC(CO)CC1=O SBB054853 [0,2,0,0,0,0|2,0,0]=4 268 B9R1.37 CC1=C(O)C(=O)C(C)O1 SBB058632 [0,2,0,0,0,0|0,0,2]=4 269 B9R1.38 CC1CC(C)S(=O)(=O)C1 SBB058474 [0,2,0,0,0,0|2,0,0]=4 270 B7R1.3 CN1CCOCC1 SBB061013 [0,0,1,1,0,0|2,0,0]=4 271 B7R1.3 ClC1CCOCC1 SBB070678 [0,0,1,1,0,0|1,0,1]=4 272 B7R1.3 NC1CCOCC1 SBB014873 [0,0,1,1,0,0|1,0,1]=4 273 B7R1.3 NC1CCOCC1 SBB069906 [0,0,1,1,0,0|1,0,1]=4 274 B7R1.3 NN1CCOCC1 SBB004363 [0,0,1,1,0,0|2,0,0]=4 275 B7R1.3 O=C1CCCCC1 SBB060074 [0,0,1,1,0,0|1,0,0]=3 276 B7R1.3 O=C1CCCCO1 SBB060349 [0,0,1,1,0,0|2,0,0]=4 277 B7R1.3 O=C1CCOCC1 SBB049627 [0,0,1,1,0,0|0,0,0]=2 278 B7R1.3 O=C1CCSCC1 SBB048121 [0,0,1,1,0,0|0,1,0]=3 279 B7R1.3 OC1CCOCC1 SBB055945 [0,0,1,1,0,0|0,0,2]=4 280 B7R1.22 COC(=O)C1CN1 SBB054042 [0,0,1,1,0,0|2,0,0]=4 281 B7R1.22 O=C(CBr)C1CC1 SBB051680 [0,0,1,1,0,0|2,0,0]=4 282 B7R1.12 C[C@H]1C[C@H]1C(=O)O SBB069055 [0,0,1,1,0,0|2,0,0]=4 283 B7R1.18 NC(=O)C1CCC1 SBB111823 [0,0,1,1,0,0|2,0,0]=4 284 B7R1.18 O=C(Cl)C1CCC1 SBB007882 [0,0,1,1,0,0|2,0,0]=4 285 B7R1.18 O=C(O)C1CCC1 SBB053465 [0,0,1,1,0,0|2,0,0]=4 286 B7R1.18 O=C(O)C1CCN1 SBB053470 [0,0,1,1,0,0|2,0,0]=4 287 B7R1.18 O=C(O)[C@@H]1CCN1 SBB004365 [0,0,1,1,0,0|2,0,0]=4 288 B7R1.19 CC1(C(=O)Cl)CC1 SBB053677 [0,0,1,1,0,0|2,0,0]=4 289 B7R1.19 CC1(C(=O)O)CC1 SBB053429 [0,0,1,1,0,0|2,0,0]=4 290 B7R1.24 C1=CCCCCC1 SBB059889 [0,0,1,1,0,0|2,0,0]=4 291 B7R1.24 C1CNCCOC1 SBB049498 [0,0,1,1,0,0|1,0,1]=4 292 B9R2.39 O=C1CC2CCC1C2 SBB072159 [0,0,0,1,0,1|1,0,0]=3 293 B9R2.39 [C@@H]12C=C[C@@H](C1)NC2=O SBB056352 [0,0,0,1,0,1|1,0,1]=4 294 B9R1.5 CN1CCCCCC1=O SBB056535 [0,0,0,0,0,2|2,0,0]=4 295 B9R1.5 NC1CCCCNC1=O SBB056282 [0,0,0,0,0,2|2,0,0]=4 296 B9R1.5 N[C@H]1CSCCNC1=O SBB069999 [0,0,0,0,0,2|1,1,0]=4