0 B7R0.4 CCCC#CC(=O)O SBB009091 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.4 CCCCCC(=O)Cl SBB060011 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.4 CCCCCC(=O)O SBB053586 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.4 CCCCCC(C)=O SBB061125 [0,0,0,0,0,0|0,0,2]=2 4 B7R0.4 CCCCCC(N)=O SBB061056 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.4 CCCCNC(N)=S SBB028242 [0,0,0,0,0,0|2,1,1]=4 6 B7R0.4 CCCCOC(N)=O SBB060819 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.4 CCCOCC(C)O SBB061007 [0,0,0,0,0,0|1,0,3]=4 8 B7R0.4 CCC\C=C\C(=O)O SBB009088 [0,0,0,0,0,0|1,0,0]=1 9 B7R0.4 CCOCCC(=O)O SBB053607 [0,0,0,0,0,0|2,0,2]=4 10 B7R0.4 COCCOC(C)=O SBB060999 [0,0,0,0,0,0|2,0,1]=3 11 B7R0.4 C\C=C\C=C\C(=O)O SBB060282 [0,0,0,0,0,0|1,0,2]=3 12 B7R0.4 NCCCCC(=O)O SBB061559 [0,0,0,0,0,0|2,0,2]=4 13 B7R0.4 O=C(O)CCCCBr SBB061343 [0,0,0,0,0,0|2,0,2]=4 14 B7R0.4 O=C(O)CCCCCl SBB061215 [0,0,0,0,0,0|2,0,2]=4 15 B7R0.4 OC(=O)C\C=C/CC SBB006610 [0,0,0,0,0,0|1,0,2]=3 16 B7R0.4 [NH2+]=C(N)SCCCC SBB060794 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.4 C=CCCC(C)=O SBB009089 [1,0,0,0,0,0|0,0,3]=4 18 B6R0.4 CC(=O)NCCCl SBB008165 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.4 CC(=O)NCCN SBB028176 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.4 CC(=O)NCCO SBB007954 [1,0,0,0,0,0|2,0,0]=3 21 B6R0.4 CC(=O)OCCCl SBB058505 [1,0,0,0,0,0|2,0,0]=3 22 B6R0.4 CCC#CC(C)=O SBB009086 [1,0,0,0,0,0|0,0,2]=3 23 B6R0.4 CCCCC(=O)O SBB053585 [1,0,0,0,0,0|1,0,1]=3 24 B6R0.4 CCCCC(C)=O SBB061262 [1,0,0,0,0,0|0,0,1]=2 25 B6R0.4 CCCCC(C)O SBB061290 [1,0,0,0,0,0|0,0,3]=4 26 B6R0.4 CCCCC(N)=O SBB028169 [1,0,0,0,0,0|1,0,1]=3 27 B6R0.4 CCCCN(C)C SBB060243 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.4 CCCNC(N)=O SBB028174 [1,0,0,0,0,0|2,0,0]=3 29 B6R0.4 CCCOC(C)=O SBB060305 [1,0,0,0,0,0|1,0,0]=2 30 B6R0.4 CCCOC(N)=O SBB000036 [1,0,0,0,0,0|2,0,0]=3 31 B6R0.4 CCOCC(=O)O SBB069120 [1,0,0,0,0,0|2,0,1]=4 32 B6R0.4 CCSCC(=O)O SBB047288 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.4 CC\C=C\C(=O)O SBB061994 [1,0,0,0,0,0|1,0,0]=2 34 B6R0.4 CNCCC(N)=O SBB080375 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.4 NCCCC(=O)O SBB028179 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.4 O=C(Cl)CCCCl SBB060894 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.4 O=C(O)CCCBr SBB065986 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.6 C=CCCCCC SBB059882 [1,0,0,0,0,0|0,0,3]=4 39 B6R0.6 CCCCCOC SBB061300 [1,0,0,0,0,0|1,0,2]=4 40 B6R0.6 CCCCNC=O SBB060026 [1,0,0,0,0,0|1,0,1]=3 41 B6R0.6 CCCCOC=O SBB060300 [1,0,0,0,0,0|1,0,1]=3 42 B6R0.6 CCCCSCC SBB061178 [1,0,0,0,0,0|1,0,2]=4 43 B6R0.6 CCCNCCC SBB059762 [1,0,0,0,0,0|1,0,2]=4 44 B6R0.6 CCCSCCC SBB061017 [1,0,0,0,0,0|1,0,2]=4 45 B6R0.6 CCC\C=C\C=O SBB067097 [1,0,0,0,0,0|0,0,0]=1 46 B6R0.6 CC\C=C/CCO SBB007739 [1,0,0,0,0,0|1,0,1]=3 47 B8R0.5 CCCC(=O)OC(C)C SBB061106 [0,1,0,0,0,0|2,0,1]=4 48 B8R0.5 CCCC(C)CC(=O)O SBB061321 [0,1,0,0,0,0|1,0,2]=4 49 B8R0.5 CCOC(=O)CC(=O)Cl SBB056440 [0,1,0,0,0,0|2,0,1]=4 50 B8R0.5 CCOC(=O)CC(=O)O SBB066094 [0,1,0,0,0,0|2,0,1]=4 51 B8R0.5 CCOC(=O)CC(C)=O SBB040867 [0,1,0,0,0,0|1,0,1]=3 52 B8R0.5 CCOC(=O)\C=C(\C)N SBB028236 [0,1,0,0,0,0|2,0,0]=3 53 B8R0.6 CCCC#CC(=O)OC SBB069575 [0,1,0,0,0,0|0,0,2]=3 54 B8R0.6 CCCCCC(=O)CC SBB060388 [0,1,0,0,0,0|0,0,2]=3 55 B8R0.6 CCCCCC(=O)NN SBB021010 [0,1,0,0,0,0|1,0,2]=4 56 B8R0.6 CCCCCC(=O)NO SBB008093 [0,1,0,0,0,0|1,0,2]=4 57 B8R0.6 CCCCCC(=O)OC SBB060591 [0,1,0,0,0,0|0,0,2]=3 58 B8R0.6 CCCCNC(=O)CCl SBB010319 [0,1,0,0,0,0|1,0,1]=3 59 B8R0.6 CCCCOC(=O)CC SBB060578 [0,1,0,0,0,0|1,0,1]=3 60 B8R0.6 CCCCOC(=O)CCl SBB060760 [0,1,0,0,0,0|1,0,1]=3 61 B8R0.6 CCCCOC(=O)CF SBB085867 [0,1,0,0,0,0|1,0,1]=3 62 B8R0.6 CCCCOC(=O)CS SBB061004 [0,1,0,0,0,0|1,0,1]=3 63 B8R0.6 COC(=O)CCCCBr SBB070759 [0,1,0,0,0,0|1,0,2]=4 64 B8R0.6 COCCNC(=O)CCl SBB038704 [0,1,0,0,0,0|2,0,1]=4 65 B8R0.6 C\C=C\C=C\C(=O)NO SBB008191 [0,1,0,0,0,0|1,0,2]=4 66 B8R0.7 C=C(C)CSCCCC SBB061593 [0,1,0,0,0,0|1,0,2]=4 67 B8R0.7 CC(=O)OCCCCCl SBB059334 [0,1,0,0,0,0|1,0,1]=3 68 B8R0.7 CCCCCCC(=O)Cl SBB060012 [0,1,0,0,0,0|1,0,2]=4 69 B8R0.7 CCCCCCC(=O)O SBB053587 [0,1,0,0,0,0|1,0,2]=4 70 B8R0.7 CCCCCCC(C)=O SBB060387 [0,1,0,0,0,0|0,0,2]=3 71 B8R0.7 CCCCCOC(C)=O SBB060027 [0,1,0,0,0,0|0,0,2]=3 72 B8R0.7 CCCCSCC(=O)O SBB061205 [0,1,0,0,0,0|1,0,2]=4 73 B8R0.7 CCCNCCC(N)=O SBB116773 [0,1,0,0,0,0|1,0,2]=4 74 B8R0.7 CCOCCOC(C)=O SBB061000 [0,1,0,0,0,0|1,0,1]=3 75 B8R0.7 COCCOCC(=O)O SBB008497 [0,1,0,0,0,0|2,0,1]=4 76 B8R0.7 NCCCCCC(=O)O SBB015068 [0,1,0,0,0,0|1,0,2]=4 77 B8R0.7 O=C(O)CCCCCBr SBB065783 [0,1,0,0,0,0|1,0,2]=4 78 B8R0.8 C=C(C)C(=O)OCCF SBB085807 [0,1,0,0,0,0|3,0,0]=4 79 B8R0.8 CCCCC(=O)C(C)=O SBB008584 [0,1,0,0,0,0|0,0,1]=2 80 B8R0.8 CCCCC(=O)N(C)C SBB007992 [0,1,0,0,0,0|2,0,1]=4 81 B8R0.8 CCCCC(Br)C(=O)O SBB069524 [0,1,0,0,0,0|1,0,2]=4 82 B8R0.8 CCCCC(C)C(=O)O SBB072714 [0,1,0,0,0,0|1,0,2]=4 83 B8R0.8 CCCCC(N)C(C)=O SBB014561 [0,1,0,0,0,0|0,0,2]=3 84 B8R0.8 CCCC[C@H](N)C(=O)O SBB065920 [0,1,0,0,0,0|1,0,2]=4 85 B8R0.8 CCCOC(=O)C(C)Cl SBB060963 [0,1,0,0,0,0|2,0,1]=4 86 B8R0.9 COC(=O)\C=C\C(=O)O SBB065854 [0,1,0,0,0,0|2,0,1]=4 87 B8R0.9 OC(=O)\C=C/C(=O)NC SBB005847 [0,1,0,0,0,0|2,0,1]=4 88 B8R0.28 CC(=O)OCCC(C)C SBB040873 [0,1,0,0,0,0|1,0,1]=3 89 B8R0.28 CC(=O)\C=C\C=C(C)C SBB008066 [0,1,0,0,0,0|0,0,2]=3 90 B8R0.28 CC(C)=CCCC(C)O SBB008067 [0,1,0,0,0,0|1,0,1]=3 91 B8R0.28 CC(C)CCCC(=O)O SBB072713 [0,1,0,0,0,0|1,0,2]=4 92 B8R1.1 CC1=CC=C(CN)O1 SBB047770 [0,0,0,1,0,0|1,0,2]=4 93 B8R1.1 CCC1COC(=O)O1 SBB008625 [0,0,0,1,0,0|2,0,1]=4 94 B8R1.1 CCN1C=CC(Br)=N1 SBB054434 [0,0,0,1,0,0|3,0,0]=4 95 B8R1.1 CCN1C=CC(C)=N1 SBB020339 [0,0,0,1,0,0|2,0,0]=3 96 B8R1.1 CCN1C=CC(I)=N1 SBB116216 [0,0,0,1,0,0|3,0,0]=4 97 B8R1.1 CCN1C=CC(N)=N1 SBB020916 [0,0,0,1,0,0|3,0,0]=4 98 B8R1.1 N1C=C(C)N=C1CC SBB004334 [0,0,0,1,0,0|2,0,1]=4 99 B8R1.1 N[C@@H]1C=C[C@H](CO)C1 SBB054869 [0,0,0,1,0,0|2,0,1]=4 100 B8R1.1 O=C1C=C[C@H](CO)O1 SBB006580 [0,0,0,1,0,0|2,0,0]=3 101 B8R1.4 CC1=CC=CC(=O)N1 SBB004345 [0,0,0,1,0,0|1,0,2]=4 102 B8R1.4 CC1=CC=CC(C)=N1 SBB060371 [0,0,0,1,0,0|1,0,2]=4 103 B8R1.4 CC1=CC=NC(C)=C1 SBB060369 [0,0,0,1,0,0|2,0,1]=4 104 B8R1.7 CC(=O)C1=CC=CN1 SBB066752 [0,0,0,1,0,0|1,0,2]=4 105 B8R1.7 CC(=O)C1=CC=CO1 SBB040248 [0,0,0,1,0,0|1,0,2]=4 106 B8R1.7 CC(=O)C1=CC=CS1 SBB038710 [0,0,0,1,0,0|1,0,2]=4 107 B8R1.7 CC(=O)C1=CC=NN1 SBB086523 [0,0,0,1,0,0|2,0,1]=4 108 B8R1.7 CC(=O)C1=CSC=C1 SBB048022 [0,0,0,1,0,0|1,0,2]=4 109 B8R1.7 NC(=O)C1=NCCN1 SBB013487 [0,0,0,1,0,0|3,0,0]=4 110 B8R1.7 NC(=O)C1CCCN1 SBB004067 [0,0,0,1,0,0|2,0,1]=4 111 B8R1.7 NC(=O)[C@@H]1CCCN1 SBB006531 [0,0,0,1,0,0|2,0,1]=4 112 B8R1.7 O=C(O)C1CCCC1 SBB065782 [0,0,0,1,0,0|1,0,2]=4 113 B8R1.7 O=C(O)C1CCCO1 SBB004298 [0,0,0,1,0,0|2,0,1]=4 114 B8R1.7 O=C(O)[C@H]1CCCN1 SBB006712 [0,0,0,1,0,0|2,0,1]=4 115 B8R1.22 O=C1CCCCCC1 SBB060075 [0,0,0,1,0,0|0,0,2]=3 116 B8R1.22 O=C1CCCCCN1 SBB058658 [0,0,0,1,0,0|1,0,1]=3 117 B8R1.22 O=C1CCNCCN1 SBB056241 [0,0,0,1,0,0|2,0,1]=4 118 B8R1.34 O=C(O)CC1CCC1 SBB050298 [0,0,0,1,0,0|1,0,2]=4 119 B5R0.1 CC(=O)CC#N SBB014113 [2,0,0,0,0,0|1,0,1]=4 120 B5R0.1 CC(C)=CCBr SBB061690 [2,0,0,0,0,0|2,0,0]=4 121 B5R0.1 CCCC(=O)Cl SBB040624 [2,0,0,0,0,0|1,0,0]=3 122 B5R0.1 CCOC(=O)Cl SBB040861 [2,0,0,0,0,0|2,0,0]=4 123 B5R0.1 COCC(=O)O SBB061376 [2,0,0,0,0,0|2,0,0]=4 124 B5R0.1 CS(=O)CCN SBB050811 [2,0,0,0,0,0|2,0,0]=4 125 B5R0.1 CSCC(=O)O SBB053570 [2,0,0,0,0,0|2,0,0]=4 126 B5R0.1 C\C(Cl)=C\CN SBB301293 [2,0,0,0,0,0|2,0,0]=4 127 B5R0.1 O=C(O)CCBr SBB065770 [2,0,0,0,0,0|2,0,0]=4 128 B5R0.1 O=C(O)CCCl SBB069140 [2,0,0,0,0,0|2,0,0]=4 129 B5R0.2 C=COCCCl SBB061485 [2,0,0,0,0,0|2,0,0]=4 130 B5R0.2 C=COCCN SBB072719 [2,0,0,0,0,0|2,0,0]=4 131 B7R0.2 CCC(C)CC(=O)O SBB008180 [1,1,0,0,0,0|1,0,1]=4 132 B7R0.2 CCC(C)NC(N)=O SBB008605 [1,1,0,0,0,0|2,0,0]=4 133 B7R0.2 CC\C(C)=C\C(C)C SBB060471 [1,1,0,0,0,0|1,0,1]=4 134 B7R0.2 COC(=O)CC(C)=O SBB060889 [1,1,0,0,0,0|1,0,1]=4 135 B7R0.2 COC(=O)\C=C(\C)N SBB061677 [1,1,0,0,0,0|2,0,0]=4 136 B7R0.3 C=C(CC)CCCC SBB060475 [1,1,0,0,0,0|1,0,1]=4 137 B7R0.3 CCC(=O)OCCCl SBB060315 [1,1,0,0,0,0|2,0,0]=4 138 B7R0.3 CCCCC(=O)NN SBB028196 [1,1,0,0,0,0|1,0,1]=4 139 B7R0.3 CCCNC(=O)CCl SBB016586 [1,1,0,0,0,0|1,0,0]=3 140 B7R0.3 CCCOC(=O)CCl SBB060962 [1,1,0,0,0,0|1,0,0]=3 141 B7R0.3 CCCOC(=O)CS SBB061003 [1,1,0,0,0,0|1,0,0]=3 142 B7R0.3 CNCCC(=O)NC SBB046578 [1,1,0,0,0,0|1,0,1]=4 143 B7R0.3 CNCCC(=O)NC SBB080433 [1,1,0,0,0,0|1,0,1]=4 144 B7R0.3 COC(=O)\C=C\CBr SBB070730 [1,1,0,0,0,0|1,0,0]=3 145 B7R0.3 O=C(CCl)OCCCl SBB061273 [1,1,0,0,0,0|2,0,0]=4 146 B7R0.5 C=C(C)C(=O)OCC SBB061402 [1,1,0,0,0,0|2,0,0]=4 147 B7R0.5 CCCC(=O)N(C)C SBB008345 [1,1,0,0,0,0|2,0,0]=4 148 B7R0.5 CCCC(Br)C(=O)O SBB065976 [1,1,0,0,0,0|1,0,1]=4 149 B7R0.5 CCCC(C)C(=O)O SBB065915 [1,1,0,0,0,0|1,0,1]=4 150 B7R0.5 CCC[C@@H](N)C(=O)O SBB065919 [1,1,0,0,0,0|1,0,1]=4 151 B7R0.5 CC\C=C(/C)C(=O)O SBB069108 [1,1,0,0,0,0|1,0,0]=3 152 B7R0.6 CC(=O)CCC(C)=O SBB040811 [1,1,0,0,0,0|0,0,2]=4 153 B7R0.6 CC(C)CCC(=O)O SBB065829 [1,1,0,0,0,0|1,0,1]=4 154 B7R0.6 CC(C)CNC(N)=O SBB008242 [1,1,0,0,0,0|2,0,0]=4 155 B7R0.6 CC(C)\C=C\C(=O)O SBB061966 [1,1,0,0,0,0|1,0,0]=3 156 B7R0.1 CCCCCOC=O SBB060301 [1,1,0,0,0,0|0,0,2]=4 157 B7R0.1 C\C=C\CCCCC SBB059885 [1,1,0,0,0,0|0,0,1]=3 158 B7R0.7 CCCC(=O)CCC SBB060386 [1,1,0,0,0,0|0,0,2]=4 159 B7R0.7 C\C=C\C(=O)OCC SBB061219 [1,1,0,0,0,0|1,0,0]=3 160 B9R0.6 CCOC(=O)C(C)C(C)=O SBB060347 [0,2,0,0,0,0|1,0,1]=4 161 B9R0.6 CCOC(=O)C(Cl)C(C)=O SBB040841 [0,2,0,0,0,0|1,0,1]=4 162 B9R0.14 CCCC(CC)OC(C)=O SBB060029 [0,2,0,0,0,0|1,0,1]=4 163 B9R0.34 CCOC(=O)CC(=O)CCl SBB040868 [0,2,0,0,0,0|1,0,1]=4 164 B9R0.34 CCOC(=O)\C=C(\C)NC SBB080741 [0,2,0,0,0,0|2,0,0]=4 165 B9R0.34 N(C(=O)CCl)C(=O)OCC SBB003907 [0,2,0,0,0,0|2,0,0]=4 166 B9R0.53 CC(=O)CC(=O)OC(C)C SBB061713 [0,2,0,0,0,0|1,0,1]=4 167 B9R0.1 CC(C)CCOC(=O)CCl SBB060961 [0,2,0,0,0,0|1,0,1]=4 168 B9R0.1 COC(=O)\C=C\CC(C)C SBB054119 [0,2,0,0,0,0|0,0,0]=2 169 B9R0.5 CCCC#CC(=O)OCC SBB008805 [0,2,0,0,0,0|0,0,2]=4 170 B9R0.5 CCCCCC(=O)CCC SBB005828 [0,2,0,0,0,0|0,0,2]=4 171 B9R0.5 CCCCCC(=O)OCC SBB060316 [0,2,0,0,0,0|0,0,2]=4 172 B9R0.5 CCCCOC(=O)CCC SBB061107 [0,2,0,0,0,0|1,0,1]=4 173 B9R0.5 CCO\C=C\C(=O)OCC SBB086340 [0,2,0,0,0,0|1,0,0]=3 174 B9R0.24 COC(=O)\C=C\C(=O)OC SBB008222 [0,2,0,0,0,0|1,0,1]=4 175 B9R0.46 CCCCC#CC(=O)OC SBB009075 [0,2,0,0,0,0|0,0,2]=4 176 B9R0.46 CCCCCCC(=O)CC SBB007744 [0,2,0,0,0,0|0,0,2]=4 177 B9R0.46 CCCCCCC(=O)OC SBB060317 [0,2,0,0,0,0|0,0,2]=4 178 B9R0.46 CCCCCNC(=O)CCl SBB017391 [0,2,0,0,0,0|0,0,2]=4 179 B9R0.46 CCCCCOC(=O)CC SBB058817 [0,2,0,0,0,0|0,0,2]=4 180 B9R0.46 CCCCCOC(=O)CCl SBB060707 [0,2,0,0,0,0|0,0,2]=4 181 B9R0.46 CCCCCOC(=O)CS SBB061204 [0,2,0,0,0,0|0,0,2]=4 182 B9R0.46 COC(=O)CCCCCN SBB003739 [0,2,0,0,0,0|0,0,2]=4 183 B9R0.46 COCCCNC(=O)CCl SBB017961 [0,2,0,0,0,0|1,0,1]=4 184 B9R0.47 CCCCCC(=O)N(C)C SBB008014 [0,2,0,0,0,0|0,0,2]=4 185 B9R0.47 CCCCNC(=O)N(C)C SBB008135 [0,2,0,0,0,0|1,0,1]=4 186 B9R0.47 CCCCOC(=O)C(C)Cl SBB056574 [0,2,0,0,0,0|1,0,1]=4 187 B9R0.47 CCCCOC(=O)C(C)O SBB061171 [0,2,0,0,0,0|1,0,1]=4 188 B9R0.47 CCCCOC(=O)C(F)Cl SBB088217 [0,2,0,0,0,0|1,0,1]=4 189 B9R0.47 CCCCOC(=O)C(F)F SBB086822 [0,2,0,0,0,0|1,0,1]=4 190 B9R0.2 CC(=O)OCCOCCCl SBB060310 [0,2,0,0,0,0|1,0,1]=4 191 B9R0.2 CCCCCCCC(C)=O SBB061540 [0,2,0,0,0,0|0,0,2]=4 192 B9R0.2 CCCCCCOC(C)=O SBB060306 [0,2,0,0,0,0|0,0,2]=4 193 B9R0.48 CCCC(=O)CCC(C)=O SBB008161 [0,2,0,0,0,0|0,0,1]=3 194 B9R0.48 CCNC(=O)\C=C/C(=O)O SBB028463 [0,2,0,0,0,0|1,0,1]=4 195 B9R0.48 CCOC(=O)CNC(C)=O SBB061661 [0,2,0,0,0,0|1,0,1]=4 196 B9R0.48 CCOC(=O)\C=C\C(=O)O SBB065780 [0,2,0,0,0,0|1,0,1]=4 197 B9R0.55 CC(=O)CCCOC(C)=O SBB001556 [0,2,0,0,0,0|1,0,1]=4 198 B7R1.2 CC1=CC=C(C)N1 SBB059455 [1,0,0,1,0,0|1,0,1]=4 199 B7R1.2 CC1=NN(C)C=C1 SBB015024 [1,0,0,1,0,0|2,0,0]=4 200 B7R1.2 O=C1C[C@H](O)CO1 SBB055783 [1,0,0,1,0,0|2,0,0]=4 201 B7R1.3 BrC1C=CCCC1 SBB007864 [1,0,0,1,0,0|1,0,1]=4 202 B7R1.3 O=C1C=CCCC1 SBB008209 [1,0,0,1,0,0|0,0,0]=2 203 B7R1.3 O=C1CCCCC1 SBB060074 [1,0,0,1,0,0|0,0,1]=3 204 B7R1.3 O=C1CCCCO1 SBB060349 [1,0,0,1,0,0|1,0,0]=3 205 B7R1.3 O=C1CCOCC1 SBB049627 [1,0,0,1,0,0|1,0,1]=4 206 B7R1.3 O=C1CCSCC1 SBB048121 [1,0,0,1,0,0|1,0,1]=4 207 B7R1.3 O=C1CNCCN1 SBB000034 [1,0,0,1,0,0|2,0,0]=4 208 B7R1.10 O=C1CC(CO)C1 SBB054867 [1,0,0,1,0,0|1,0,1]=4 209 B7R1.12 C[C@H]1C[C@H]1C(=O)O SBB069055 [1,0,0,1,0,0|1,0,1]=4 210 B7R1.14 O=S1(=O)C=CCC1 SBB014528 [1,0,0,1,0,0|2,0,0]=4 211 B7R1.18 NC(=O)C1CCC1 SBB111823 [1,0,0,1,0,0|1,0,1]=4 212 B7R1.18 O=C(Cl)C1CCC1 SBB007882 [1,0,0,1,0,0|1,0,1]=4 213 B7R1.18 O=C(O)C1CCC1 SBB053465 [1,0,0,1,0,0|1,0,1]=4 214 B7R1.20 O=C(O)CC1CC1 SBB005442 [1,0,0,1,0,0|1,0,1]=4 215 B7R1.1 CCN1C=CC=N1 SBB020346 [1,0,0,1,0,0|2,0,0]=4 216 B7R1.1 N#CC1=CCCC1 SBB007727 [1,0,0,1,0,0|1,0,1]=4 217 B7R1.1 O=CC1CCCC1 SBB069481 [1,0,0,1,0,0|0,0,2]=4 218 B7R1.4 CC1=CC=NN1C SBB020344 [1,0,0,1,0,0|2,0,0]=4 219 B7R1.24 C1=CCCCCC1 SBB059889 [1,0,0,1,0,0|0,0,1]=3 220 B9R1.7 CC1=CC=C(CCN)S1 SBB027633 [0,1,0,1,0,0|0,1,1]=4 221 B9R1.7 CC1=CN=C(CCN)S1 SBB027447 [0,1,0,1,0,0|1,1,0]=4 222 B9R1.7 CC1=CSC(CCN)=N1 SBB044025 [0,1,0,1,0,0|2,0,0]=4 223 B9R1.7 CC1=NN(CCBr)C=C1 SBB014949 [0,1,0,1,0,0|2,0,0]=4 224 B9R1.7 CC1=NN(CCN)C=C1 SBB009659 [0,1,0,1,0,0|2,0,0]=4 225 B9R1.7 CC1=NN(CCO)C=C1 SBB033467 [0,1,0,1,0,0|2,0,0]=4 226 B9R1.7 CCCC1=CC(N)=NN1 SBB085612 [0,1,0,1,0,0|2,0,0]=4 227 B9R1.7 CCCC1=NNC(=O)C1 SBB116793 [0,1,0,1,0,0|1,0,0]=3 228 B9R1.7 CCCN1C=CC(Br)=N1 SBB116205 [0,1,0,1,0,0|2,0,0]=4 229 B9R1.7 CCCN1C=CC(C)=N1 SBB024160 [0,1,0,1,0,0|1,0,0]=3 230 B9R1.7 CCCN1C=CC(I)=N1 SBB116218 [0,1,0,1,0,0|2,0,0]=4 231 B9R1.7 CCCN1C=CC(N)=N1 SBB022359 [0,1,0,1,0,0|2,0,0]=4 232 B9R1.7 CNCC1=CC(C)=NO1 SBB026735 [0,1,0,1,0,0|1,0,1]=4 233 B9R1.7 CNCC1=CC=C(C)O1 SBB085300 [0,1,0,1,0,0|0,0,2]=4 234 B9R1.7 CNCC1=CC=C(C)S1 SBB052471 [0,1,0,1,0,0|0,1,1]=4 235 B9R1.7 CNCC1=CSC(C)=N1 SBB086256 [0,1,0,1,0,0|2,0,0]=4 236 B9R1.7 CNCC1=NNC(C)=C1 SBB010242 [0,1,0,1,0,0|2,0,0]=4 237 B9R1.7 CNCC1=NOC(C)=C1 SBB026783 [0,1,0,1,0,0|1,0,1]=4 238 B9R1.13 CC(=O)CC1CCCC1 SBB008343 [0,1,0,1,0,0|0,0,2]=4 239 B9R1.13 CC(=O)OC1CCCC1 SBB060737 [0,1,0,1,0,0|0,0,2]=4 240 B9R1.22 CCN1C=C(C)C=C1N SBB059485 [0,1,0,1,0,0|2,0,0]=4 241 B9R1.22 CCN1N=C(C)C=C1C SBB024588 [0,1,0,1,0,0|2,0,0]=4 242 B9R1.22 CCN1N=C(C)C=C1N SBB022583 [0,1,0,1,0,0|2,0,0]=4 243 B9R1.34 CC1CC(=O)CC(=O)C1 SBB042020 [0,1,0,1,0,0|0,0,1]=3 244 B9R1.34 CC1CC(=O)NC(=O)N1 SBB007701 [0,1,0,1,0,0|2,0,0]=4 245 B9R1.34 CC1CC(=O)NC(S)=N1 SBB059861 [0,1,0,1,0,0|2,0,0]=4 246 B9R1.41 CC(=O)C1=C(C)C=CS1 SBB066531 [0,1,0,1,0,0|0,0,2]=4 247 B9R1.41 CC(=O)C1=C(C)NN=C1 SBB116031 [0,1,0,1,0,0|1,0,1]=4 248 B9R1.41 CC(=O)C1=CC=CN1C SBB067044 [0,1,0,1,0,0|0,0,2]=4 249 B9R1.41 CC(=O)C1=CC=NN1C SBB021678 [0,1,0,1,0,0|1,0,1]=4 250 B9R1.41 CC(=O)C1=NC=NN1C SBB051537 [0,1,0,1,0,0|2,0,0]=4 251 B9R1.41 CC(=O)C1CCOC1=O SBB040834 [0,1,0,1,0,0|1,0,1]=4 252 B9R1.41 CC(=O)N1CCCC1=O SBB007922 [0,1,0,1,0,0|1,0,0]=3 253 B9R1.41 NC(=S)C1=C(N)CCC1 SBB082462 [0,1,0,1,0,0|1,1,0]=4 254 B9R1.48 O=C1CCCCC(=O)C1 SBB056238 [0,1,0,1,0,0|0,0,1]=3 255 B9R1.1 CCC1=CC=C(C)N=C1 SBB060375 [0,1,0,1,0,0|1,0,1]=4 256 B9R1.1 CCC1CCC(=O)CC1 SBB059272 [0,1,0,1,0,0|0,0,2]=4 257 B9R1.2 CCC1=CC(C)=CC=C1 SBB061286 [0,1,0,1,0,0|1,0,1]=4 258 B9R1.2 CCC1=CC(C)=CC=C1 SBB061444 [0,1,0,1,0,0|1,0,1]=4 259 B9R1.2 CCN1CCCC(=O)C1 SBB056089 [0,1,0,1,0,0|0,0,2]=4 260 B9R1.2 O=C1CCCC(CO)C1 SBB054862 [0,1,0,1,0,0|0,0,2]=4 261 B9R1.5 CN1CCCCCC1=O SBB056535 [0,1,0,1,0,0|0,0,2]=4 262 B9R1.5 NC1CCCCNC1=O SBB056282 [0,1,0,1,0,0|1,0,1]=4 263 B9R1.5 O=C1CCCCCN1Br SBB057855 [0,1,0,1,0,0|1,0,1]=4 264 B9R1.11 COC(=O)C1CCCC1 SBB071502 [0,1,0,1,0,0|0,0,2]=4 265 B9R1.11 COC(=O)C1CCCN1 SBB046302 [0,1,0,1,0,0|1,0,1]=4 266 B9R1.11 COC(=O)C1CCCN1 SBB054027 [0,1,0,1,0,0|1,0,1]=4 267 B9R1.11 COC(=O)[C@@H]1CCCN1 SBB003904 [0,1,0,1,0,0|1,0,1]=4 268 B9R1.11 O=C(CCl)N1CCCC1 SBB005370 [0,1,0,1,0,0|1,0,1]=4 269 B9R1.21 CCC1=CC=C(C=O)O1 SBB010056 [0,1,0,1,0,0|1,0,1]=4 270 B9R1.21 CCC1=CC=C(C=O)S1 SBB028644 [0,1,0,1,0,0|1,0,1]=4 271 B9R1.21 CCN1C=CC(C=O)=N1 SBB017363 [0,1,0,1,0,0|2,0,0]=4 272 B9R1.21 CCN1C=CC(CCl)=N1 SBB025730 [0,1,0,1,0,0|2,0,0]=4 273 B9R1.21 CCN1C=CC(CN)=N1 SBB020586 [0,1,0,1,0,0|2,0,0]=4 274 B9R1.21 CCN1C=CC(CO)=N1 SBB025856 [0,1,0,1,0,0|2,0,0]=4 275 B9R1.50 O=C1CCCCCCC1 SBB008888 [0,1,0,1,0,0|0,0,2]=4 276 B9R1.80 O=C(CCl)NCC1CC1 SBB085411 [0,1,0,1,0,0|1,0,1]=4 277 B9R1.6 CC(=O)C1CCOCC1 SBB055952 [0,1,0,1,0,0|0,0,2]=4 278 B9R1.6 CC(=O)N1CCNCC1 SBB027339 [0,1,0,1,0,0|1,0,1]=4 279 B9R1.6 OC(=O)C1=CCCCC1 SBB006589 [0,1,0,1,0,0|1,0,0]=3 280 B9R1.23 CCN1C=C(Br)C(C)=N1 SBB020342 [0,1,0,1,0,0|2,0,0]=4 281 B9R1.23 CCN1C=C(Cl)C(C)=N1 SBB046652 [0,1,0,1,0,0|2,0,0]=4 282 B9R1.23 CCN1C=C(I)C(C)=N1 SBB051459 [0,1,0,1,0,0|2,0,0]=4 283 B9R1.23 CCN1C=C(N)C(C)=N1 SBB009354 [0,1,0,1,0,0|2,0,0]=4 284 B9R1.35 CC(=O)C1=CC=C(C)O1 SBB046935 [0,1,0,1,0,0|0,0,2]=4 285 B9R1.35 CC(=O)C1=CC=C(C)S1 SBB066533 [0,1,0,1,0,0|0,0,2]=4 286 B9R1.35 CC(=O)C1=CN(C)N=C1 SBB020594 [0,1,0,1,0,0|2,0,0]=4 287 B9R1.35 CC(=O)C1=CSC(C)=N1 SBB109134 [0,1,0,1,0,0|1,0,1]=4 288 B9R1.35 CC(=O)C1=NN(C)C=C1 SBB021677 [0,1,0,1,0,0|1,0,1]=4 289 B9R1.35 CC1=CC=C(C(C)N)O1 SBB010239 [0,1,0,1,0,0|0,0,2]=4 290 B9R1.35 CC1=NN(C(C)C)C=C1 SBB024815 [0,1,0,1,0,0|2,0,0]=4 291 B9R2.39 O=C1CC2CCC1C2 SBB072159 [0,0,0,2,0,0|0,0,2]=4