0 B9R0.48 CCCC(=O)CCC(C)=O SBB008161 [0,0,0,0,0,0|2,0,1]=3 1 B9R0.48 CCCC(=O)OCC(C)C SBB061108 [0,0,0,0,0,0|2,0,0]=2 2 B9R0.48 CCOC(=O)CNC(C)=O SBB061661 [0,0,0,0,0,0|2,0,1]=3 3 B9R0.48 CCOC(=O)CNC(N)=O SBB086470 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.48 CCOC(C)OCC(C)C SBB059867 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.1 CCC#CC(=O)OCC SBB008819 [1,0,0,0,0,0|0,0,2]=3 6 B8R0.1 CCCC(=O)OCCCl SBB061294 [1,0,0,0,0,0|3,0,0]=4 7 B8R0.1 CCCCC(=O)OCC SBB061113 [1,0,0,0,0,0|0,0,0]=1 8 B8R0.1 CCCCC(O)CCC SBB059905 [1,0,0,0,0,0|1,0,2]=4 9 B8R0.1 CCCCS(=O)CCO SBB019077 [1,0,0,0,0,0|3,0,0]=4 10 B8R0.1 CCCOC(=O)CCC SBB061105 [1,0,0,0,0,0|2,0,0]=3 11 B8R0.1 CCOC(=O)CCCBr SBB070757 [1,0,0,0,0,0|1,0,0]=2 12 B8R0.1 CCOC(=O)CCCN SBB003878 [1,0,0,0,0,0|1,0,0]=2 13 B8R0.1 CCOC(=O)CNC=O SBB067158 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.1 CCOC(=O)NCCO SBB079074 [1,0,0,0,0,0|2,0,0]=3 15 B8R0.1 CCOC(=O)\C=C\CBr SBB070755 [1,0,0,0,0,0|1,0,2]=4 16 B8R0.7 CC(C)CCCCCBr SBB054753 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.7 CCCCCCC(C)Br SBB060198 [1,0,0,0,0,0|2,0,1]=4 18 B8R0.7 CCCCCCC(C)N SBB028238 [1,0,0,0,0,0|2,0,1]=4 19 B8R0.7 CCCCCCC(C)O SBB059903 [1,0,0,0,0,0|2,0,1]=4 20 B8R0.7 CCCCCCN(C)C SBB059990 [1,0,0,0,0,0|2,0,1]=4 21 B8R0.7 CCCCNCC(C)C SBB059764 [1,0,0,0,0,0|2,0,1]=4 22 B8R0.7 [NH2+](CCCC)CC(C)C SBB061643 [1,0,0,0,0,0|2,0,1]=4 23 B8R0.9 CC(C)COC(=O)CCl SBB060938 [1,0,0,0,0,0|2,0,0]=3 24 B8R0.9 CC(C)COC(=O)CS SBB061005 [1,0,0,0,0,0|2,0,0]=3 25 B8R0.9 CC(C)OCC(=O)NN SBB080051 [1,0,0,0,0,0|3,0,0]=4 26 B8R0.9 CCC(=O)CCC(=O)O SBB072628 [1,0,0,0,0,0|2,0,1]=4 27 B8R0.9 CCC(=O)OCC(C)C SBB060974 [1,0,0,0,0,0|1,0,0]=2 28 B8R0.9 COC(=O)CCC(=O)O SBB061270 [1,0,0,0,0,0|2,0,1]=4 29 B8R0.9 COC(=O)\C=C\C(C)C SBB061964 [1,0,0,0,0,0|0,0,2]=3 30 B8R0.9 COC(C)OCC(C)C SBB059866 [1,0,0,0,0,0|2,0,1]=4 31 B10R0.26 CCOC(=O)\C=C(\C)C(C)F SBB087448 [0,1,0,0,0,0|1,0,2]=4 32 B10R0.32 CCOC(=O)C(=O)CC(C)=O SBB008612 [0,1,0,0,0,0|1,0,2]=4 33 B10R0.32 CCOC(=O)C(N)CC(C)C SBB048376 [0,1,0,0,0,0|0,0,0]=1 34 B10R0.108 CCOC(=O)CNC(=O)CCl SBB003757 [0,1,0,0,0,0|2,0,1]=4 35 B10R0.109 CCOC(=O)CCC(F)(F)F SBB088368 [0,1,0,0,0,0|2,0,0]=3 36 B10R1.66 CC(C)NCC1CCCO1 SBB007165 [0,0,0,1,0,0|2,0,1]=4 37 B10R1.66 CC(O)CCC1CCCO1 SBB001585 [0,0,0,1,0,0|2,0,1]=4 38 B10R1.138 CCCC(=O)OC[C@H]1CO1 SBB086343 [0,0,0,1,0,0|3,0,0]=4 39 B8R0.5 CCCC(=O)OC(C)C SBB061106 [0,0,0,0,1,0|2,0,0]=3 40 B8R0.5 CCOC(=O)CC(=N)N SBB010259 [0,0,0,0,1,0|2,0,1]=4 41 B8R0.5 CCOC(=O)CC(=O)Cl SBB056440 [0,0,0,0,1,0|2,0,1]=4 42 B8R0.5 CCOC(=O)CC(=O)O SBB066094 [0,0,0,0,1,0|2,0,1]=4 43 B8R0.5 CCOC(=O)CC(C)=O SBB040867 [0,0,0,0,1,0|1,0,1]=3 44 B8R0.5 CCOC(=O)CC(C)C SBB061114 [0,0,0,0,1,0|0,0,0]=1 45 B8R0.5 CCOC(=O)CC(C)N SBB108871 [0,0,0,0,1,0|1,0,0]=2 46 B8R0.5 CCOC(=O)\C=C(\C)N SBB028236 [0,0,0,0,1,0|1,0,2]=4 47 B10R0.3 CCCC(=O)OCCC(C)C SBB061109 [0,0,0,0,0,1|1,0,0]=2 48 B10R0.3 CCOC(=O)CCCC(=O)Cl SBB058617 [0,0,0,0,0,1|2,0,1]=4 49 B7R0.1 CCCCNCCC SBB059822 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.3 C=C(CC)CCCC SBB060475 [2,0,0,0,0,0|1,0,0]=3 51 B7R0.3 CCC(=O)OCCCl SBB060315 [2,0,0,0,0,0|2,0,0]=4 52 B7R0.3 CCCCC(=O)NN SBB028196 [2,0,0,0,0,0|2,0,0]=4 53 B7R0.3 CCCNC(=O)CCl SBB016586 [2,0,0,0,0,0|2,0,0]=4 54 B7R0.3 CCCOC(=O)CCl SBB060962 [2,0,0,0,0,0|2,0,0]=4 55 B7R0.3 CCCOC(=O)CS SBB061003 [2,0,0,0,0,0|2,0,0]=4 56 B7R0.3 CNCCC(=O)NC SBB046578 [2,0,0,0,0,0|2,0,0]=4 57 B7R0.3 CNCCC(=O)NC SBB080433 [2,0,0,0,0,0|2,0,0]=4 58 B7R0.3 COC(=N)CCCCl SBB056505 [2,0,0,0,0,0|2,0,0]=4 59 B7R0.7 CC#CC(=O)OCC SBB069554 [2,0,0,0,0,0|0,0,2]=4 60 B7R0.7 CCCC(=O)CCC SBB060386 [2,0,0,0,0,0|1,0,0]=3 61 B7R0.7 CCNC(=O)NCC SBB058550 [2,0,0,0,0,0|2,0,0]=4 62 B7R0.7 CCOC(=O)CC#N SBB040821 [2,0,0,0,0,0|1,0,1]=4 63 B7R0.7 CCOC(=O)CCBr SBB070739 [2,0,0,0,0,0|1,0,0]=3 64 B7R0.7 CCOC(=O)CCN SBB004038 [2,0,0,0,0,0|1,0,0]=3 65 B7R0.7 CCOC(=O)CNN SBB021976 [2,0,0,0,0,0|2,0,0]=4 66 B7R0.7 CCOC(=O)CNN SBB054137 [2,0,0,0,0,0|2,0,0]=4 67 B7R0.7 CCOC(=O)OCC SBB060086 [2,0,0,0,0,0|1,0,0]=3 68 B7R0.7 CCOS(=O)OCC SBB060108 [2,0,0,0,0,0|2,0,0]=4 69 B7R0.7 C\C=C\C(=O)OCC SBB061219 [2,0,0,0,0,0|0,0,2]=4 70 B7R0.7 N(C)CC(=O)OCC SBB004039 [2,0,0,0,0,0|1,0,0]=3 71 B7R0.7 P(=O)(OCC)OCC SBB056825 [2,0,0,0,0,0|2,0,0]=4 72 B7R0.4 CC(C)CCCCBr SBB008833 [2,0,0,0,0,0|1,0,1]=4 73 B7R0.4 COCCNC(C)C SBB302570 [2,0,0,0,0,0|1,0,1]=4 74 B7R0.6 CC(=O)CCC(=O)O SBB040561 [2,0,0,0,0,0|1,0,1]=4 75 B7R0.6 CC(=O)CCC(C)=O SBB040811 [2,0,0,0,0,0|1,0,1]=4 76 B7R0.6 CC(C)CCC(=O)O SBB065829 [2,0,0,0,0,0|0,0,0]=2 77 B7R0.6 CC(C)CCC(C)N SBB008544 [2,0,0,0,0,0|1,0,1]=4 78 B7R0.6 CC(C)CCC(C)O SBB061318 [2,0,0,0,0,0|0,0,2]=4 79 B7R0.6 CC(C)CNC(N)=O SBB008242 [2,0,0,0,0,0|2,0,0]=4 80 B7R0.6 CC(C)\C=C\C(=O)O SBB061966 [2,0,0,0,0,0|0,0,2]=4 81 B9R0.5 CCCC#CC(=O)OCC SBB008805 [1,1,0,0,0,0|0,0,1]=3 82 B9R0.5 CCCCCC(=O)CCC SBB005828 [1,1,0,0,0,0|1,0,0]=3 83 B9R0.5 CCCCCC(=O)OCC SBB060316 [1,1,0,0,0,0|0,0,0]=2 84 B9R0.5 CCCCOC(=O)CCC SBB061107 [1,1,0,0,0,0|1,0,0]=3 85 B9R0.5 CCOC(=O)CCCCBr SBB070781 [1,1,0,0,0,0|0,0,0]=2 86 B9R0.5 CCOC(=O)CCN=C=O SBB046971 [1,1,0,0,0,0|1,0,1]=4 87 B9R0.5 CCO\C=C\C(=O)OCC SBB086340 [1,1,0,0,0,0|0,0,2]=4 88 B9R0.18 CCCCC(=O)CCCC SBB060073 [1,1,0,0,0,0|1,0,0]=3 89 B9R0.18 CCCCC(=O)OCCC SBB061228 [1,1,0,0,0,0|0,0,0]=2 90 B9R0.18 CCCCS(=O)CCCC SBB060669 [1,1,0,0,0,0|2,0,0]=4 91 B9R0.34 CCOC(=O)CC(=O)CCl SBB040868 [1,1,0,0,0,0|1,0,1]=4 92 B9R0.34 CCOC(=O)CC(C)NC SBB046551 [1,1,0,0,0,0|1,0,0]=3 93 B9R0.34 CCOC(=O)C[C@H](O)CCl SBB070707 [1,1,0,0,0,0|1,0,0]=3 94 B9R0.35 CCCC(=O)C(O)CCC SBB008396 [1,1,0,0,0,0|1,0,0]=3 95 B9R0.35 CCOC(=O)C(=O)OCC SBB040948 [1,1,0,0,0,0|1,0,1]=4 96 B9R0.2 CCOCCOCC(C)O SBB061150 [1,1,0,0,0,0|1,0,1]=4 97 B9R0.7 CC(C)COC(=O)C(C)C SBB061112 [1,1,0,0,0,0|1,0,0]=3 98 B9R0.7 CC(C)COC(=O)C(C)Cl SBB061232 [1,1,0,0,0,0|1,0,0]=3 99 B9R0.7 CC(C)COC(=O)C(C)O SBB061172 [1,1,0,0,0,0|1,0,0]=3 100 B9R0.21 CCC(=O)CNC(C)(C)C SBB002890 [1,1,0,0,0,0|1,0,0]=3 101 B9R0.23 COC(=O)C(C)CN(C)C SBB047158 [1,1,0,0,0,0|1,0,0]=3 102 B9R0.23 COC(=O)[C@@H](N)CC(C)C SBB302662 [1,1,0,0,0,0|0,0,0]=2 103 B9R0.24 COC(=O)CCC(=O)OC SBB040934 [1,1,0,0,0,0|1,0,1]=4 104 B9R0.42 COC(=O)CC(=O)C(C)C SBB086341 [1,1,0,0,0,0|0,0,1]=3 105 B9R0.6 CCOC(=O)C(=O)N(C)C SBB008387 [0,1,0,0,1,0|1,0,1]=4 106 B9R0.6 CCOC(=O)C(Br)C(C)C SBB005789 [0,1,0,0,1,0|0,0,0]=2 107 B9R0.6 CCOC(=O)C(C)C(C)=O SBB060347 [0,1,0,0,1,0|1,0,1]=4 108 B9R0.6 CCOC(=O)C(Cl)C(C)=O SBB040841 [0,1,0,0,1,0|1,0,1]=4 109 B9R0.6 CCOC(=O)[C@@H](N)C(C)C SBB054134 [0,1,0,0,1,0|0,0,0]=2 110 B9R0.44 CCOC(=O)CC(C)(C)C SBB116857 [0,1,0,0,1,0|0,0,0]=2 111 B9R0.44 CCOC(=O)CC(F)(F)F SBB087112 [0,1,0,0,1,0|2,0,0]=4 112 B9R0.44 CCOC(=O)CS(C)(=O)=O SBB059048 [0,1,0,0,1,0|2,0,0]=4 113 B9R0.53 CC(=O)CC(=O)OC(C)C SBB061713 [0,1,0,0,1,0|1,0,1]=4 114 B11R0.6 CC(C)CCOC(=O)CC(C)C SBB061565 [0,1,0,0,0,1|1,0,0]=3 115 B11R0.54 CCOC(=O)CC(C)C(F)(F)F SBB090132 [0,2,0,0,0,0|2,0,0]=4 116 B11R0.54 CCOC(=O)CC(N)C(F)(F)F SBB090251 [0,2,0,0,0,0|2,0,0]=4 117 B11R0.54 CCOC(=O)CC(O)C(F)(F)F SBB001552 [0,2,0,0,0,0|2,0,0]=4 118 B11R0.146 CCC\C(=C/CC(C)C)C(=O)O SBB061317 [0,2,0,0,0,0|1,0,1]=4 119 B11R0.186 CCOC(=O)C(C)CC(F)(F)F SBB090133 [0,2,0,0,0,0|2,0,0]=4 120 B11R0.46 CCCCCC(=O)OCC(C)C SBB056802 [0,2,0,0,0,0|2,0,0]=4 121 B11R0.337 CC(C)CC(=O)CNC(C)(C)C SBB002852 [0,2,0,0,0,0|2,0,0]=4 122 B11R0.9 CCCC(=O)OCC(CC)CC SBB061314 [0,2,0,0,0,0|2,0,0]=4 123 B11R0.62 CCOC(=O)CCC(=O)OCC SBB040923 [0,2,0,0,0,0|1,0,1]=4 124 B9R1.2 CCN1CCCC(=O)C1 SBB056089 [1,0,0,1,0,0|2,0,0]=4 125 B9R1.2 O=C1CCCC(CO)C1 SBB054862 [1,0,0,1,0,0|2,0,0]=4 126 B9R1.15 CCC1CCCOC1=O SBB061552 [1,0,0,1,0,0|2,0,0]=4 127 B9R1.15 O=C1CCCCC1CO SBB054864 [1,0,0,1,0,0|2,0,0]=4 128 B9R1.33 O=C1OCCN1CCO SBB007726 [1,0,0,1,0,0|2,0,0]=4 129 B9R1.50 O=C1CCCCCCC1 SBB008888 [1,0,0,1,0,0|1,0,0]=3 130 B9R1.73 CCOC(=O)C1CCC1 SBB059126 [1,0,0,1,0,0|0,0,0]=2 131 B9R1.6 CC(C)C1CCCCC1 SBB061161 [1,0,0,1,0,0|1,0,1]=4 132 B9R1.10 CC1(C)COC(=O)OC1 SBB007778 [1,0,0,1,0,0|1,0,0]=3 133 B9R1.10 O=C1CCC(F)(F)CC1 SBB085853 [1,0,0,1,0,0|2,0,0]=4 134 B9R1.80 O=C(CCl)NCC1CC1 SBB085411 [1,0,0,1,0,0|2,0,0]=4 135 B9R1.133 CCC1=NC(C)(C)CO1 SBB058294 [1,0,0,1,0,0|2,0,0]=4 136 B9R1.138 CC1(C)COC(=O)C1O SBB055782 [1,0,0,1,0,0|2,0,0]=4 137 B9R1.138 CC1(C)COC(=O)[C@@H]1O SBB017517 [1,0,0,1,0,0|2,0,0]=4 138 B9R1.34 CC1CC(=O)CC(C)O1 SBB056218 [0,0,0,1,1,0|2,0,0]=4 139 B9R1.66 CC1(C)CC(=O)CCO1 SBB048828 [0,0,0,1,1,0|2,0,0]=4 140 B11R1.15 CCOC(=O)C1CC(O)CN1 SBB010410 [0,0,0,1,0,1|1,0,0]=3 141 B11R1.74 CC(C)C1CC(=O)CC(=O)C1 SBB059704 [0,1,0,1,0,0|1,0,1]=4 142 B11R1.334 CCOC(=O)CC(=O)C1CC1 SBB025114 [0,1,0,1,0,0|0,0,1]=3 143 B11R1.86 CN(C)CC1CCCCC1=O SBB052510 [0,1,0,1,0,0|2,0,0]=4 144 B11R1.86 CN(C)CC1CCCCC1=O SBB062890 [0,1,0,1,0,0|2,0,0]=4 145 B11R1.680 CC1C(=O)CC[N+](C)(C)C1C SBB002409 [0,1,0,1,0,0|2,0,0]=4 146 B11R2.126 CC12CCC(=O)N1CCN2 SBB010279 [0,0,0,2,0,0|2,0,0]=4 147 B11R2.39 CC1=CCC2C(C1)C2(C)C SBB060476 [0,0,0,2,0,0|2,0,0]=4 148 B7R0.2 CC(C)CC(=O)NN SBB021012 [1,0,0,0,1,0|2,0,0]=4 149 B7R0.2 CC(C)NC(=O)CBr SBB051007 [1,0,0,0,1,0|2,0,0]=4 150 B7R0.2 CC(C)NC(=O)CCl SBB016573 [1,0,0,0,1,0|2,0,0]=4 151 B7R0.2 CC(C)NC(=O)CN SBB085357 [1,0,0,0,1,0|2,0,0]=4 152 B7R0.2 CC(C)OC(=O)CCl SBB040600 [1,0,0,0,1,0|2,0,0]=4 153 B7R0.2 CC(C)OC(=O)CS SBB061230 [1,0,0,0,1,0|2,0,0]=4 154 B7R0.2 CCC(=O)OC(C)C SBB061101 [1,0,0,0,1,0|1,0,0]=3 155 B7R0.2 CC\C(C)=C\C(C)C SBB060471 [1,0,0,0,1,0|1,0,1]=4 156 B7R0.2 COC(=O)CC(C)=O SBB060889 [1,0,0,0,1,0|1,0,1]=4 157 B7R0.5 C=C(C)C(=O)OCC SBB061402 [0,0,0,0,2,0|0,0,2]=4 158 B7R0.5 CCCC(=O)N(C)C SBB008345 [0,0,0,0,2,0|2,0,0]=4 159 B7R0.5 CCOC(=O)C(C)Br SBB058608 [0,0,0,0,2,0|1,0,0]=3 160 B7R0.5 CCOC(=O)C(C)C SBB060711 [0,0,0,0,2,0|0,0,0]=2 161 B7R0.5 CCOC(=O)C(C)N SBB004040 [0,0,0,0,2,0|1,0,0]=3 162 B7R0.5 CCOC(=O)C(F)Br SBB070746 [0,0,0,0,2,0|2,0,0]=4 163 B7R0.5 CCOC(=O)C(F)I SBB097841 [0,0,0,0,2,0|2,0,0]=4