0 B10R0.71 CCCCC\C=C\C=C\C=O D68694 [0,0,0,0,0,0|0,0,0]=0 1 B11R0.40 CCCCCCC=CC(=O)OC M39622 [0,1,0,0,0,0|2,0,1]=4 2 B11R1.4 CCCCCCC1=CC=CS1 H53223 [0,0,0,1,0,0|0,1,1]=3 3 B11R1.4 CCCCCCC1=CSC=C1 H67612 [0,0,0,1,0,0|2,0,1]=4 4 B11R1.17 CCCOC1=C(O)C=CC=C1 P50279 [0,0,0,1,0,0|1,0,2]=4 5 B11R1.17 OCCCC1=C(Br)C=CC=C1 B50150 [0,0,0,1,0,0|2,0,1]=4 6 B11R1.28 BrCCCCC1=CC=CC=C1 B52867 [0,0,0,1,0,0|2,0,0]=3 7 B11R1.28 BrCCCOC1=CC=CC=C1 B39545 [0,0,0,1,0,0|3,0,0]=4 8 B11R1.28 BrCCOCC1=CC=CC=C1 B19978 [0,0,0,1,0,0|3,0,0]=4 9 B11R1.28 CCCCCC1=CC=CN=C1 P53110 [0,0,0,1,0,0|2,0,0]=3 10 B11R1.28 CCCCCC1=NC=CC=C1 P53109 [0,0,0,1,0,0|1,0,0]=2 11 B11R1.28 CCCNCC1=CC=CC=C1 B22211 [0,0,0,1,0,0|2,0,0]=3 12 B11R1.28 CCOCCC1=NC=CC=C1 E69081 [0,0,0,1,0,0|2,0,0]=3 13 B11R1.28 NCCOCC1=CC=CC=C1 B50339 [0,0,0,1,0,0|3,0,0]=4 14 B11R1.28 NCCOCC1=CC=CC=C1 B52169 [0,0,0,1,0,0|3,0,0]=4 15 B11R1.28 OCCCCC1=CC=CC=C1 P69087 [0,0,0,1,0,0|2,0,0]=3 16 B11R1.28 OCCCCC1=CC=NC=C1 P50342 [0,0,0,1,0,0|3,0,0]=4 17 B11R1.28 OCCCCC1=CN=CC=C1 P50341 [0,0,0,1,0,0|3,0,0]=4 18 B11R1.28 OCCCCC1=NC=CC=C1 P50340 [0,0,0,1,0,0|2,0,0]=3 19 B11R1.28 OCCOCC1=CC=CC=C1 B24595 [0,0,0,1,0,0|3,0,0]=4 20 B11R1.41 O=CC1=C(CCBr)C=CC=C1 B52025 [0,0,0,1,0,0|1,0,2]=4 21 B12R0.248 CCC\C=C/C=C/C=C/C(=O)OC M54958 [0,2,0,0,0,0|0,0,2]=4 22 B10R1.17 BrCCCC1=CC=CC=C1 B49960 [1,0,0,1,0,0|1,0,1]=4 23 B10R1.17 CCCCC1=CC=NC=C1 B50306 [1,0,0,1,0,0|1,0,1]=4 24 B10R1.17 CCCC[N+]1=CC=CC=C1 B52268 [1,0,0,1,0,0|1,0,0]=3 25 B10R1.17 CCCOC1=CC=CC=C1 P50263 [1,0,0,1,0,0|1,0,1]=4 26 B10R1.17 CCNCC1=CC=CC=C1 B39547 [1,0,0,1,0,0|1,0,1]=4 27 B10R1.17 CCNCC1=NC=CC=C1 P46970 [1,0,0,1,0,0|2,0,0]=4 28 B10R1.17 CCOCC1=CC=CC=C1 E50267 [1,0,0,1,0,0|1,0,1]=4 29 B10R1.17 OCCCC1=NC=CC=C1 P62447 [1,0,0,1,0,0|2,0,0]=4 30 B10R1.17 OCCCC1=NC=CC=C1 P7829 [1,0,0,1,0,0|2,0,0]=4 31 B10R1.17 [Mg+]CCCC1=CC=CC=C1 P31712 [1,0,0,1,0,0|1,0,1]=4 32 B10R1.20 CCC1=C(C=O)C=CC=C1 E49869 [1,0,0,1,0,0|0,0,2]=4 33 B10R1.21 CCCCCC1=CC=CS1 P50457 [1,0,0,1,0,0|0,1,0]=3 34 B10R1.29 CCCCC1=C(Br)SC=C1 B46858 [1,0,0,1,0,0|2,0,0]=4 35 B12R1.8 BrCCCCOC1=CC=CC=C1 B53012 [0,1,0,1,0,0|2,0,0]=4 36 B12R1.8 BrCCCOCC1=CC=CC=C1 B53016 [0,1,0,1,0,0|2,0,0]=4 37 B12R1.8 CCCCCCC1=CC=NC=C1 H54975 [0,1,0,1,0,0|1,0,1]=4 38 B12R1.8 NCCCNCC1=CC=CC=C1 B53178 [0,1,0,1,0,0|2,0,0]=4 39 B12R1.8 NCCCOCC1=CC=CC=C1 B53135 [0,1,0,1,0,0|2,0,0]=4 40 B12R1.8 OCCCNCC1=CC=CC=C1 B53134 [0,1,0,1,0,0|2,0,0]=4 41 B12R1.8 OCCCOCC1=CC=CC=C1 B53086 [0,1,0,1,0,0|2,0,0]=4 42 B12R1.121 CCCOC1=C(C=O)C=CC=C1 P62564 [0,1,0,1,0,0|0,0,2]=4 43 B12R1.372 CCCCCCC1=C(Br)SC=C1 B68036 [0,1,0,1,0,0|1,0,1]=4 44 B12R1.28 CCCCOC1=NC=CC(N)=C1 B50398 [0,1,0,1,0,0|2,0,0]=4 45 B12R1.32 CCCC(=O)CC1=CC=CC=C1 P54754 [0,1,0,1,0,0|1,0,1]=4 46 B12R1.308 CCC[C@@H](N)C1=C(C)C=CC=C1 T54978 [0,1,0,1,0,0|1,0,1]=4 47 B12R1.1 CCCCCC1=CC=C(Br)C=C1 B4837 [0,1,0,1,0,0|1,0,0]=3 48 B12R1.1 CCCCCC1=CC=C([Mg+])C=C1 P31797 [0,1,0,1,0,0|1,0,0]=3 49 B12R1.1 FC1=CC=C(CCCCCl)C=C1 C52680 [0,1,0,1,0,0|2,0,0]=4 50 B12R1.1 NCCCCC1=CC=C(Cl)C=C1 C53068 [0,1,0,1,0,0|2,0,0]=4 51 B12R1.7 CCCCCCC1=CC=C(Br)S1 B53108 [0,1,0,1,0,0|0,1,1]=4 52 B12R1.25 COCCN1C=CC=C(N)C1=O A37203 [0,1,0,1,0,0|2,0,0]=4 53 B12R1.27 O=C\C(Br)=C\OC1CCCCC1 B1350 [0,1,0,1,0,0|1,0,1]=4 54 B12R1.30 CCOC[C@H](N)C1=CC=CC=C1 E62365 [0,1,0,1,0,0|2,0,0]=4 55 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 A54196 [0,1,0,1,0,0|2,0,0]=4 56 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 A60951 [0,1,0,1,0,0|2,0,0]=4 57 B12R1.567 NCCCCN1C(=O)C=CC1=O A49541 [0,1,0,1,0,0|2,0,0]=4 58 B12R1.252 CC(C)OCCC1=NC=CC=C1 P63699 [0,1,0,1,0,0|2,0,0]=4 59 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 B37631 [0,1,0,1,0,0|2,0,0]=4 60 B12R2.2 C1=CC=C(N2CCCC2)C=C1 P52876 [0,0,0,2,0,0|2,0,0]=4 61 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P15957 [0,0,0,2,0,0|2,0,0]=4 62 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P24436 [0,0,0,2,0,0|2,0,0]=4 63 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P54138 [0,0,0,2,0,0|2,0,0]=4 64 B12R2.2 C1=CC=C([C@@H]2CCCO2)C=C1 P1193 [0,0,0,2,0,0|2,0,0]=4 65 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 P24304 [0,0,0,2,0,0|2,0,0]=4 66 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P24713 [0,0,0,2,0,0|2,0,0]=4 67 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P25684 [0,0,0,2,0,0|2,0,0]=4 68 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P25740 [0,0,0,2,0,0|2,0,0]=4 69 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P26657 [0,0,0,2,0,0|2,0,0]=4 70 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 P14241 [0,0,0,2,0,0|2,0,0]=4 71 B12R2.2 C1=CN=C([C@H]2CCNC2)C=C1 P60923 [0,0,0,2,0,0|2,0,0]=4 72 B12R2.2 C1=CN=C([C@H]2CCNC2)C=C1 P64140 [0,0,0,2,0,0|2,0,0]=4 73 B12R2.41 C1=CC2=C(C=C1)CCNCC2 T10517 [0,0,0,2,0,0|2,0,0]=4 74 B12R2.41 C1=CC2=C(C=C1)CNCCC2 T69161 [0,0,0,2,0,0|2,0,0]=4 75 B12R2.41 C1=CC2=C(C=C1)NCCCC2 T32455 [0,0,0,2,0,0|1,0,1]=4 76 B12R2.41 C1=CN=C2CCNCCC2=C1 P59935 [0,0,0,2,0,0|2,0,0]=4 77 B12R2.24 C[C@H]1CCC2=C(C=CC=C2)N1 T69232 [0,0,0,2,0,0|1,0,1]=4 78 B12R2.1081 BrC1=C2CCCCC2=CC=C1 B4845 [0,0,0,2,0,0|1,0,1]=4 79 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M54143 [0,0,0,2,0,0|2,0,0]=4 80 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M67524 [0,0,0,2,0,0|2,0,0]=4 81 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 M52878 [0,0,0,2,0,0|2,0,0]=4 82 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 M54141 [0,0,0,2,0,0|2,0,0]=4 83 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 M54144 [0,0,0,2,0,0|2,0,0]=4 84 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 T22529 [0,0,0,2,0,0|2,0,0]=4 85 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 T22530 [0,0,0,2,0,0|2,0,0]=4 86 B12R2.1081 N[C@H]1CCCC2=NC=CC=C21 A12037 [0,0,0,2,0,0|2,0,0]=4 87 B12R2.1081 O=C1CCCC2=C1C=CC=N2 D0654 [0,0,0,2,0,0|1,0,1]=4 88 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T67609 [0,0,0,2,0,0|2,0,0]=4 89 B12R2.44 O=CC1=CC2=C(C=C1)CCC2 K52409 [0,0,0,2,0,0|0,0,2]=4 90 B12R2.27 OCC1CC1C2=CC=CC=C2 P52781 [0,0,0,2,0,0|2,0,0]=4 91 B12R2.18 C[C@H]1CC2=C(C=CC=C2)C1=O M4716 [0,0,0,2,0,0|0,0,2]=4