0 B6R0.1 COC(=O)C#CBr 21038 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.1 CC(F)CCO 9969 [1,0,0,0,0,0|2,0,1]=4 2 B5R0.1 C\C(Br)=C/CO 103149 [1,0,0,0,0,0|2,0,1]=4 3 B5R0.1 C\C(I)=C\CO 103135 [1,0,0,0,0,0|2,0,1]=4 4 B5R0.1 N#CCC(N)=O 462 [1,0,0,0,0,0|2,0,1]=4 5 B5R0.1 O=C(O)\C=C\I 103159 [1,0,0,0,0,0|1,0,2]=4 6 B5R0.2 COC=COC 20215 [1,0,0,0,0,0|1,0,1]=3 7 B5R0.3 COC(=O)NN 16671 [1,0,0,0,0,0|2,0,0]=3 8 B5R0.3 C\C=C(/F)CBr 100835 [1,0,0,0,0,0|3,0,0]=4 9 B5R0.3 C\C=C(/F)CO 100834 [1,0,0,0,0,0|3,0,0]=4 10 B5R0.3 NCC(=O)NO 456 [1,0,0,0,0,0|3,0,0]=4 11 B7R0.2 CNC(=O)NC(C)=O 18364 [0,1,0,0,0,0|2,0,1]=4 12 B7R0.2 C\C(=C\Cl)CC(C)C 103075 [0,1,0,0,0,0|3,0,0]=4 13 B7R0.2 C\C=C(\C)CC(C)C 103077 [0,1,0,0,0,0|2,0,0]=3 14 B7R0.7 CCOC(=O)\C=C/Br 103145 [0,1,0,0,0,0|1,0,2]=4 15 B7R0.7 CCOC(=O)\C=C\I 103147 [0,1,0,0,0,0|1,0,2]=4 16 B7R0.7 CC\C=C(/C)CCC 102642 [0,1,0,0,0,0|2,0,0]=3 17 B7R1.3 FC1CCCCC1 102292 [0,0,0,1,0,0|2,0,1]=4 18 B7R1.3 O=C1C=CCCC1 19980 [0,0,0,1,0,0|1,0,1]=3 19 B7R1.4 CC1=CCCC1=O 16116 [0,0,0,1,0,0|1,0,1]=3 20 B7R1.4 CC1CC=CC1=O 16115 [0,0,0,1,0,0|1,0,2]=4 21 B4R0.1 NCC(=O)O 21671 [2,0,0,0,0,0|1,0,0]=3 22 B4R0.2 C\C=C/CO 102650 [2,0,0,0,0,0|1,0,1]=4 23 B6R0.4 CCCN[N+](=O)[O-] 22283 [1,1,0,0,0,0|1,0,1]=4 24 B6R0.5 O=P(O)(O)CCBr 21405 [1,1,0,0,0,0|2,0,0]=4 25 B6R0.6 CCC#CCCC 102645 [1,1,0,0,0,0|1,0,1]=4 26 B6R0.6 CCO\C=C\SC 103146 [1,1,0,0,0,0|0,1,1]=4 27 B6R0.6 COCOCCCl 100854 [1,1,0,0,0,0|1,0,1]=4 28 B6R0.6 C\C=C/CCCO 102707 [1,1,0,0,0,0|1,0,0]=3 29 B6R0.9 COC(=CBr)OC 103148 [1,1,0,0,0,0|2,0,0]=4 30 B8R0.2 CCC(=O)C(C)C(C)=O 16753 [0,2,0,0,0,0|1,0,1]=4 31 B8R0.5 CCOC(=O)\C=C(\C)Br 103130 [0,2,0,0,0,0|0,0,2]=4 32 B8R0.19 CN\C(C)=C/C(=O)OC 13305 [0,2,0,0,0,0|0,0,2]=4 33 B8R0.23 CC(=O)CC(=O)C(C)C 16776 [0,2,0,0,0,0|1,0,1]=4 34 B8R0.3 CCOC(=O)\C(C)=C/Br 103083 [0,2,0,0,0,0|2,0,0]=4 35 B8R0.3 CCOC(=O)\C(C)=C/Cl 103091 [0,2,0,0,0,0|2,0,0]=4 36 B8R0.3 CO\C=C(/C)C(=O)OC 101951 [0,2,0,0,0,0|0,0,2]=4 37 B8R0.3 CO\C=C(/F)C(=O)OC 102667 [0,2,0,0,0,0|0,0,2]=4 38 B8R0.3 C\C=C(\C)C(=O)OCC 103086 [0,2,0,0,0,0|0,0,2]=4 39 B8R0.6 CCN\C=C\C(=O)OC 13304 [0,2,0,0,0,0|0,0,1]=3 40 B8R0.6 COC(=O)CCCCO 102453 [0,2,0,0,0,0|0,0,0]=2 41 B8R0.6 C\C=C\C=C\C(=O)OC 102289 [0,2,0,0,0,0|0,0,2]=4 42 B8R0.9 COC(=O)CNC(C)=O 22216 [0,2,0,0,0,0|0,0,1]=3 43 B8R0.22 CC=C(OCC)OCC 103157 [0,2,0,0,0,0|2,0,0]=4 44 B8R0.22 CCOC(=CBr)OCC 103131 [0,2,0,0,0,0|2,0,0]=4 45 B6R1.2 O=C1C=CCC1 16113 [1,0,0,1,0,0|0,0,2]=4 46 B6R1.2 OC1=NNCC1 20904 [1,0,0,1,0,0|2,0,0]=4 47 B8R1.1 O=C1CC[C@H](CBr)N1 22002 [0,1,0,1,0,0|2,0,0]=4 48 B8R1.1 O=C1CC[C@H](CBr)O1 21988 [0,1,0,1,0,0|2,0,0]=4 49 B8R1.1 O=S1OCC(CF)O1 9970 [0,1,0,1,0,0|2,0,0]=4 50 B8R1.1 [NH3+]C[C@H]1CCC(=O)O1 21998 [0,1,0,1,0,0|2,0,0]=4 51 B8R1.4 CC1=CC(=O)CCC1 19984 [0,1,0,1,0,0|1,0,0]=3 52 B8R1.4 O=C1C=C(O)CCC1 19981 [0,1,0,1,0,0|1,0,1]=4 53 B8R1.31 [C@@H]1([C@@H](C)O)CNC1=O 13747 [0,1,0,1,0,0|1,0,0]=3 54 B8R1.51 CC1=NC(C)(C)CO1 1132 [0,1,0,1,0,0|2,0,0]=4 55 B8R1.2 ON=C1CCCCC1 19847 [0,1,0,1,0,0|1,0,1]=4 56 B8R1.3 CC1=CCC(=O)CC1 102607 [0,1,0,1,0,0|1,0,1]=4 57 B8R1.50 CC1=CCC(C)C1=O 16114 [0,1,0,1,0,0|1,0,1]=4 58 B8R1.50 CC1C(=O)CCC1=O 13753 [0,1,0,1,0,0|1,0,1]=4 59 B8R1.11 CCC1=CCCC1=O 16118 [0,1,0,1,0,0|1,0,1]=4 60 B8R1.11 CCC1CC=CC1=O 16117 [0,1,0,1,0,0|1,0,0]=3