0 B9R0.1 CC(=CCCC(=C)C=C)C TS06120 [0,0,0,0,0,0|0,0,0]=0 1 B9R0.1 CC(C)CCCC(C)C=C TS06517 [0,0,0,0,0,0|0,0,4]=4 2 B9R0.1 CC(CCC=C(C)C)C=O TS47322 [0,0,0,0,0,0|1,0,2]=3 3 B9R0.1 CC(CCOC(=O)C)C=C TS06713 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.1 CN(C)CCOC(=O)C=C TS40086 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.6 CCCCCC(=O)C=C TS05201 [1,0,0,0,0,0|1,0,2]=4 6 B8R0.7 CC(=O)OCCCC=C TS05339 [1,0,0,0,0,0|2,0,1]=4 7 B8R0.28 CC(=C)CC=CC(=C)C TS32532 [1,0,0,0,0,0|0,0,3]=4 8 B8R0.28 CC(=C)CCCC(=C)C TS05046 [1,0,0,0,0,0|0,0,3]=4 9 B8R0.28 CC(=CCCC(=O)C)C TS36151 [1,0,0,0,0,0|1,0,1]=3 10 B8R0.28 CC(=CCOC(=O)C)C TS05349 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.28 CC(C)CCCC(=C)C TS05218 [1,0,0,0,0,0|0,0,3]=4 12 B10R0.3 CC(=CCCC(=CC=C)C)C TS40927 [0,1,0,0,0,0|0,0,1]=2 13 B10R0.3 CC(=CCCC(=CC=O)C)C TS41186 [0,1,0,0,0,0|0,0,1]=2 14 B10R0.3 CC(=CCCC(=CCBr)C)C TS22188 [0,1,0,0,0,0|0,0,2]=3 15 B10R0.3 CC(=CCCC(=CCO)C)C TS00134 [0,1,0,0,0,0|0,0,2]=3 16 B10R0.3 CC(=CCCC(=CCS)C)C TS12905 [0,1,0,0,0,0|0,0,2]=3 17 B10R0.3 CC(CCC=C(C)C)CC=O TS41442 [0,1,0,0,0,0|0,0,3]=4 18 B10R0.3 C[C@@H](CCC=C(C)C)CC=O TS41429 [0,1,0,0,0,0|0,0,3]=4 19 B10R0.44 CC(=C[C@H](CC(=C)C=C)O)C TS10224 [0,1,0,0,0,0|0,0,0]=1 20 B10R0.44 CC(C)C[C@@H](CC(=C)C=C)O TS41424 [0,1,0,0,0,0|0,0,2]=3 21 B10R0.57 CCC(=O)C(C)CC=C(C)C TS10475 [0,1,0,0,0,0|1,0,2]=4 22 B10R0.60 CC(C)(CCCC(=C)C=C)O TS11065 [0,1,0,0,0,0|0,0,2]=3 23 B10R0.60 CC(C)(CCCC(=C)C=C)O TS41421 [0,1,0,0,0,0|0,0,2]=3 24 B10R1.13 CC1=CCC(=C(C)C)CC1 TS37048 [0,0,0,1,0,0|0,0,2]=3 25 B8R0.9 CC(=C)COC(=O)C=C TS36122 [0,0,0,0,1,0|2,0,1]=4 26 B8R0.9 CC(C)COC(=O)C=C TS05334 [0,0,0,0,1,0|2,0,1]=4 27 B10R0.55 CN(C)CCCNC(=O)C=C TS10734 [0,0,0,0,0,1|2,0,1]=4 28 B10R0.55 CN(C)CCCOC(=O)C=C TS10857 [0,0,0,0,0,1|2,0,1]=4 29 B7R0.1 CC=CCCC=CC TS31853 [2,0,0,0,0,0|0,0,1]=3 30 B7R0.3 C=CCNC(=O)C=C TS31871 [2,0,0,0,0,0|2,0,0]=4 31 B7R0.3 C=CCOC(=O)C=C TS31905 [2,0,0,0,0,0|2,0,0]=4 32 B7R0.3 CC=CCC(C)C=C TS31844 [2,0,0,0,0,0|0,0,2]=4 33 B7R0.4 CC(=CCCC=C)C TS31846 [2,0,0,0,0,0|0,0,0]=2 34 B7R0.4 CC(=CCOC=O)C TS04439 [2,0,0,0,0,0|2,0,0]=4 35 B7R0.4 CC(=O)OCCC=C TS04442 [2,0,0,0,0,0|2,0,0]=4 36 B7R0.4 CC(C)CCCC=C TS31960 [2,0,0,0,0,0|0,0,2]=4 37 B7R0.4 CC=CCCC(=C)C TS04225 [2,0,0,0,0,0|0,0,1]=3 38 B7R0.4 CC=CCCC(C)C TS31977 [2,0,0,0,0,0|0,0,2]=4 39 B7R0.4 CCCCC=C(C)C TS04347 [2,0,0,0,0,0|0,0,2]=4 40 B9R0.4 C[C@H](CCC=C)C=C(C)C TS06320 [1,1,0,0,0,0|0,0,1]=3 41 B9R0.55 CC(=CCCC=C(C)C)C TS06325 [1,1,0,0,0,0|0,0,1]=3 42 B11R0.145 CC(CCC=C(C)C)C(=C)C=O TS43129 [0,1,0,0,0,1|1,0,0]=3 43 B11R0.6 CC(=CCCC(=CC(=O)O)C)C TS44900 [0,2,0,0,0,0|0,0,1]=3 44 B11R0.174 CCC(=CCCC(=CC#N)C)C TS11757 [0,2,0,0,0,0|0,0,2]=4 45 B9R1.2 Cc1cccc(c1)C=C TS70680 [1,0,0,1,0,0|0,0,2]=4 46 B9R1.10 CC1(CCC(=O)C=C1)C TS02215 [0,0,0,1,1,0|1,0,1]=4 47 B7R0.6 CC(=C)CCC(=O)C TS04310 [1,0,0,0,1,0|1,0,1]=4 48 B7R0.6 CC(=CCC(=O)O)C TS04452 [1,0,0,0,1,0|2,0,0]=4 49 B7R0.6 CC(C)CCC(=C)C TS31967 [1,0,0,0,1,0|0,0,2]=4