0 B10R0.3 BrCC=C(CCCC(C)C)C 1P028427 [0,0,0,0,0,0|1,0,2]=3 1 B10R0.3 BrCC[C@H](CCC=C(C)C)C 1P006UQ5 [0,0,0,0,0,0|1,0,2]=3 2 B10R0.3 BrC\C=C(\CCC=C(C)C)/C 1P003R7O [0,0,0,0,0,0|1,0,0]=1 3 B10R0.3 C=CC=C(CCC=C(C)C)C 1P00DVOE [0,0,0,0,0,0|1,0,1]=2 4 B10R0.3 CC(CC#N)CCC=C(C)C 1P00DEDH [0,0,0,0,0,0|1,0,3]=4 5 B10R0.3 ClC\C=C(\CCC=C(C)C)/C 1P003R7P [0,0,0,0,0,0|1,0,0]=1 6 B10R0.3 NC\C=C(\CCC=C(C)C)/C 1P0037OO [0,0,0,0,0,0|1,0,0]=1 7 B10R0.3 NC\C=C(\CCC=C(C)C)/C 1P024I8F [0,0,0,0,0,0|1,0,0]=1 8 B10R0.3 O=CC=C(CCC=C(C)C)C 1P00IA35 [0,0,0,0,0,0|0,0,2]=2 9 B10R0.3 O=CCC(CCC=C(C)C)C 1P0084IZ [0,0,0,0,0,0|0,0,4]=4 10 B10R0.3 O=CC[C@@H](CCC=C(C)C)C 1P003BT9 [0,0,0,0,0,0|0,0,4]=4 11 B10R0.3 O=CC[C@H](CCC=C(C)C)C 1P003BS2 [0,0,0,0,0,0|0,0,4]=4 12 B10R0.3 O=C\C=C(/CCC=C(C)C)\C 1P007VSW [0,0,0,0,0,0|0,0,2]=2 13 B10R0.3 O=C\C=C(\CCC=C(C)C)/C 1P001G6B [0,0,0,0,0,0|0,0,2]=2 14 B10R0.3 OCC=C(CCCC(C)C)C 1P00BYTI [0,0,0,0,0,0|0,0,2]=2 15 B10R0.3 OCCC(CCC=C(C)C)C 1P002TWQ [0,0,0,0,0,0|0,0,2]=2 16 B10R0.3 OCCC(CCCC(C)C)C 1P007VTY [0,0,0,0,0,0|0,0,4]=4 17 B10R0.3 OCC[C@@H](CCC=C(C)C)C 1P00HCNB [0,0,0,0,0,0|0,0,2]=2 18 B10R0.3 OCC[C@H](CCC=C(C)C)C 1P0036ZV [0,0,0,0,0,0|0,0,2]=2 19 B10R0.3 OCC[C@H](CCCC(C)C)C 1P00FD0T [0,0,0,0,0,0|0,0,4]=4 20 B10R0.3 OC\C=C(/CCC=C(C)C)\C 1P0084II [0,0,0,0,0,0|0,0,0]=0 21 B10R0.3 OC\C=C(\CCC=C(C)C)/C 1P00340S [0,0,0,0,0,0|0,0,0]=0 22 B10R0.3 OC\C=C(\CCCC(C)C)/C 1P001E5N [0,0,0,0,0,0|0,0,2]=2 23 B9R0.1 C=CC(=C)CCC=C(C)C 1P000KE1 [1,0,0,0,0,0|0,0,2]=3 24 B9R0.1 C=CC(=CCC=C(C)C)C 1P0019ZV [1,0,0,0,0,0|0,0,2]=3 25 B9R0.1 C=C\C(=C\CC=C(C)C)\C 1P00CAJA [1,0,0,0,0,0|0,0,2]=3 26 B9R0.1 CC=C(C=CC=C(C)C)C 1P006I0W [1,0,0,0,0,0|0,0,2]=3 27 B9R0.1 O=CC(CCC=C(C)C)C 1P0038FY [1,0,0,0,0,0|0,0,2]=3 28 B9R0.1 OCC(CCCC(C)C)C 1P002UW5 [1,0,0,0,0,0|0,0,3]=4 29 B9R0.2 CC\C=C/CCOC(=O)C 1P003RQD [1,0,0,0,0,0|3,0,0]=4 30 B9R0.2 NCCSCCC=C(C)C 1P028KK9 [1,0,0,0,0,0|2,0,1]=4 31 B9R0.5 CC(=CCO)CCCC=C 1P028GXH [1,0,0,0,0,0|0,0,2]=3 32 B9R0.5 CCCCCC(=CCO)C 1P028SJY [1,0,0,0,0,0|0,0,2]=3 33 B11R0.6 CC(=CCC\C(=C/C(=O)O)\C)C 1P00E0EM [0,1,0,0,0,0|0,0,1]=2 34 B11R0.6 CC(=CCC\C(=C\C(=O)O)\C)C 1P003R7L [0,1,0,0,0,0|0,0,1]=2 35 B11R0.6 CC(CC(=O)O)CCC=C(C)C 1P003PH5 [0,1,0,0,0,0|0,0,3]=4 36 B11R0.6 C[C@@H](CC(=O)O)CCC=C(C)C 1P002E72 [0,1,0,0,0,0|0,0,3]=4 37 B11R0.59 OCC=C(C(CC=C(C)C)C)C 1P01BVLJ [0,1,0,0,0,0|0,0,0]=1 38 B11R0.145 OCC(=C(CCC=C(C)C)C)C 1P01C4W1 [0,1,0,0,0,0|0,0,0]=1 39 B11R0.147 COC\C=C(/CCC=C(C)C)\C 1P003C6H [0,1,0,0,0,0|0,0,0]=1 40 B11R0.174 OCC=C(CCC=C(CC)C)C 1P00CVTW [0,1,0,0,0,0|0,0,0]=1 41 B11R1.157 CC(=CC1OCC=C(C1)C)C 1P0026N7 [0,0,0,1,0,0|0,0,0]=1 42 B11R1.157 CC1CCOC(C1)C=C(C)C 1P001V3R [0,0,0,1,0,0|0,0,2]=3 43 B11R1.166 CC1=CC(=O)C(=C(C)C)CC1 1P00DZZH [0,0,0,1,0,0|0,0,2]=3 44 B11R1.172 CC(=CCCc1cocc1)C 1P00DCZP [0,0,0,1,0,0|0,0,2]=3 45 B11R1.424 NCC1=C(C)CCCC1(C)C 1P028CMW [0,0,0,1,0,0|1,0,2]=4 46 B11R1.424 OCC1=C(C)CCCC1(C)C 1P00720D [0,0,0,1,0,0|0,0,2]=3 47 B9R0.48 OCCN(CC=C(C)C)C 1P01A6ON [0,0,0,0,1,0|1,0,1]=3 48 B9R0.48 OCCN(CCN(C)C)C 1P003BMI [0,0,0,0,1,0|2,0,1]=4 49 B8R0.28 CC(=O)CCC=C(C)C 1P003NR6 [2,0,0,0,0,0|0,0,1]=3 50 B8R0.28 CC(=O)OCC=C(C)C 1P000INH [2,0,0,0,0,0|1,0,1]=4 51 B8R0.28 CC(CCC=C(C)C)N 1P006Y97 [2,0,0,0,0,0|1,0,1]=4 52 B8R0.28 CC(CCC=C(C)C)O 1P001PJA [2,0,0,0,0,0|0,0,1]=3 53 B8R0.28 CC(CNC=C(C)C)C 1P01C4AK [2,0,0,0,0,0|1,0,1]=4 54 B8R0.28 C[C@@H](CCC=C(C)C)O 1P0037HK [2,0,0,0,0,0|0,0,1]=3 55 B8R0.28 C[C@H](CCC=C(C)C)O 1P003CJX [2,0,0,0,0,0|0,0,1]=3 56 B8R0.28 OC(=O)CCC=C(C)C 1P00EDMO [2,0,0,0,0,0|1,0,0]=3 57 B8R0.4 CCCCC\C=C\CO 1P003VDB [2,0,0,0,0,0|0,0,2]=4 58 B8R0.4 OCC=CCCCC=C 1P002O6V [2,0,0,0,0,0|0,0,2]=4 59 B8R0.1 CC(=CCO)CCC=C 1P028GBL [2,0,0,0,0,0|0,0,0]=2 60 B8R0.1 CCCCC(=CCO)C 1P028DVK [2,0,0,0,0,0|0,0,1]=3 61 B8R0.1 ClCCCC(=CCO)C 1P028GIM [2,0,0,0,0,0|1,0,1]=4 62 B10R0.57 CCC(=O)C(CC=C(C)C)C 1P007N9S [1,1,0,0,0,0|1,0,1]=4 63 B10R0.65 C=CC(CCC=C(C)C)(O)C 1P0036YS [1,1,0,0,0,0|0,0,2]=4 64 B10R0.65 C=C[C@@](CCC=C(C)C)(O)C 1P000R57 [1,1,0,0,0,0|0,0,2]=4 65 B10R0.65 C=C[C@](CCC=C(C)C)(O)C 1P009I6O [1,1,0,0,0,0|0,0,2]=4 66 B10R0.97 CC(=CCC\C=C\C(=O)O)C 1P004COM [1,1,0,0,0,0|0,0,1]=3 67 B12R0.233 O=COCCC(CCC=C(C)C)C 1P00HB0Z [0,2,0,0,0,0|0,0,2]=4 68 B12R0.233 O=COC\C=C(\CCC=C(C)C)/C 1P003R7Q [0,2,0,0,0,0|0,0,0]=2 69 B10R1.13 CC1=CC=C(CC1)C(C)C 1P00IKO6 [1,0,0,1,0,0|0,0,2]=4 70 B10R1.13 CC1=CCC(=CC1)C(C)C 1P003R7B [1,0,0,1,0,0|0,0,2]=4 71 B10R1.13 CC1=CCC(CC1)C(=C)C 1P003PDG [1,0,0,1,0,0|0,0,2]=4 72 B10R1.13 CC1=CCC(CC1)C(=O)C 1P0039HB [1,0,0,1,0,0|1,0,1]=4 73 B10R1.13 CC1=CCN(CC1)C(=O)C 1P024UM6 [1,0,0,1,0,0|2,0,0]=4 74 B10R1.13 CC1=CC[C@@H](CC1)C(=C)C 1P0039WQ [1,0,0,1,0,0|0,0,2]=4 75 B10R1.13 CC1=CC[C@H](CC1)C(=C)C 1P003CUU [1,0,0,1,0,0|0,0,2]=4 76 B10R1.245 OCc1c(C)cccc1C 1P00IBGS [1,0,0,1,0,0|0,0,2]=4 77 B10R1.245 OCc1c(C)ccnc1C 1P00ACC3 [1,0,0,1,0,0|1,0,1]=4 78 B10R1.245 OCc1c(C)cncc1C 1P002DRL [1,0,0,1,0,0|1,0,1]=4 79 B10R1.30 OCc1cc(C)ccc1C 1P0033H8 [0,0,0,1,1,0|0,0,2]=4 80 B10R1.30 OCc1nc(C)ccc1C 1P004WQH [0,0,0,1,1,0|1,0,1]=4 81 B12R2.766 CC1=C[C@H](O)[C@H]2C[C@@H]1C2(C)C 1P002HTN [0,0,0,2,0,0|0,0,2]=4 82 B8R0.9 OCC(CCC(C)C)C 1P0061HS [1,0,0,0,1,0|0,0,2]=4