0 B13R1.718 COC(=O)\C=C\NC1=CC=CC=C1 13317 [0,0,0,0,0,0|1,0,2]=3 1 B12R1.252 CC(=O)NCCC1=CC=CC=C1 13725 [1,0,0,0,0,0|1,0,0]=2 2 B12R1.252 CC(C)=CCCC1=CC=CC=C1 12062 [1,0,0,0,0,0|1,0,1]=3 3 B12R1.252 O=C(O)CCCC1=CC=CC=C1 18169 [1,0,0,0,0,0|0,0,0]=1 4 B12R1.252 O=C(O)CSCC1=CC=CC=C1 10410 [1,0,0,0,0,0|1,0,0]=2 5 B14R1.13 O=C(CCl)NCCC1=CC=C(Cl)C=C1 102159 [0,1,0,0,0,0|3,0,0]=4 6 B14R1.743 COC(=O)\C=C(\C)NC1=CC=CC=C1 13306 [0,1,0,0,0,0|1,0,2]=4 7 B14R1.756 COC(=O)C(C)CCC1=CC=CC=C1 17193 [0,1,0,0,0,0|0,0,0]=1 8 B14R1.837 COC(=O)NCCC1=CC=CC=C1N 11448 [0,1,0,0,0,0|1,0,0]=2 9 B14R2.958 COC(=O)C1N=C1C2=CC=CC=C2 100142 [0,0,0,1,0,0|1,0,1]=3 10 B14R2.4514 CN1C(=O)OC[C@@H]1C2=CC=CC=C2 20300 [0,0,0,1,0,0|2,0,0]=3 11 B12R1.27 COC(=O)CCC1=CC=CC=C1 19761 [0,0,0,0,1,0|0,0,0]=1 12 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 103161 [0,0,0,0,1,0|0,0,2]=3 13 B12R1.27 COC(=O)\C=C\C1=CC=CN=C1 19785 [0,0,0,0,1,0|1,0,2]=4 14 B12R1.27 O=C(NCl)OCC1=CC=CC=C1 19804 [0,0,0,0,1,0|3,0,0]=4 15 B11R1.28 C\C=C\CNC1=CC=CC=C1 100873 [2,0,0,0,0,0|1,0,1]=4 16 B13R1.6 COCOCCC1=CC(F)=CC=C1 102406 [1,1,0,0,0,0|1,0,1]=4 17 B13R1.9 COCOCCC1=CC=C(F)C=C1 102405 [1,1,0,0,0,0|1,0,1]=4 18 B13R1.337 C=C(C)\C=C\CCC1=CC=CC=C1 100777 [1,1,0,0,0,0|1,0,1]=4 19 B13R1.555 COCOCCC1=C(F)C=CC=C1 102407 [1,1,0,0,0,0|1,0,1]=4 20 B13R1.45 C=C(COC(C)=O)C1=CC=CC=C1 16688 [1,1,0,0,0,0|1,0,1]=4 21 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 17073 [1,1,0,0,0,0|0,0,1]=3 22 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 20140 [1,1,0,0,0,0|1,0,1]=4 23 B13R1.348 CC(=O)C\C(C)=C\C1=CC=CC=C1 16783 [1,1,0,0,0,0|0,0,2]=4 24 B13R1.348 CC(=O)\C=C(/C)CC1=CC=CC=C1 16782 [1,1,0,0,0,0|0,0,2]=4 25 B13R1.348 [2H]C(C=C(C)C)CC1=CC=CC=C1 100554 [1,1,0,0,0,0|1,0,1]=4 26 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O 21734 [1,1,0,0,0,0|0,0,0]=2 27 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O 22030 [1,1,0,0,0,0|0,0,0]=2 28 B13R1.11 COC(=O)CC(C)C1=CC=CC=C1 12294 [0,1,0,0,1,0|0,0,0]=2 29 B13R1.11 COC(=O)CC(C)C1=CC=CC=C1 12295 [0,1,0,0,1,0|0,0,0]=2 30 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 19830 [0,1,0,0,1,0|0,0,0]=2 31 B13R1.14 CCC(=O)CCC1=CC=C(O)C=C1 102151 [0,1,0,0,1,0|1,0,0]=3 32 B13R1.14 COC(=O)\C=C\C1=CC=C(C)C=C1 20344 [0,1,0,0,1,0|0,0,2]=4 33 B13R1.15 COC(=O)\C=C\C1=CC=CC(Cl)=C1 20343 [0,1,0,0,1,0|0,0,2]=4 34 B13R1.417 COC(=CCC1=CC=CC=C1)OC 100955 [0,1,0,0,1,0|0,0,2]=4 35 B15R1.741 COC(=O)CC(N)\C=C\C1=CC=CC=C1 19831 [0,1,0,0,0,1|0,0,1]=3 36 B15R1.11 COCC(=O)NCCC1=CC=C(Cl)C=C1 102191 [0,2,0,0,0,0|1,0,0]=3 37 B15R1.9095 CC(C)(C)C(=O)NCCC1=CC=CC=C1 100281 [0,2,0,0,0,0|2,0,0]=4 38 B13R2.1028 CCCCC1CC2=CC=CC=C21 16576 [1,0,0,1,0,0|1,0,1]=4 39 B13R2.5881 CC(=O)NC1CC2=CC=CC=C21 16603 [1,0,0,1,0,0|1,0,0]=3 40 B13R2.5881 CC(=O)OC1CC2=CC=CC=C21 16169 [1,0,0,1,0,0|1,0,0]=3 41 B13R2.5881 CC(=O)\C=C1/CC2=CC=CC=C21 16656 [1,0,0,1,0,0|0,0,2]=4 42 B13R2.33 O=C1CCC2=CC=CC=C2CC1 21559 [0,0,0,1,1,0|1,0,0]=3 43 B15R2.23388 COC(=O)C1CC(=O)C2=CC=CC=C21 16643 [0,1,0,1,0,0|0,0,1]=3 44 B15R2.19402 COC(=O)C1(C)C=CC2=CC=CC=C21 16637 [0,1,0,1,0,0|0,0,2]=4 45 B11R1.91 O=C(O)CCC1=CC=CC=C1 19283 [1,0,0,0,1,0|0,0,0]=2 46 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 12253 [1,0,0,0,1,0|0,0,2]=4 47 B11R1.40 COC(=S)NC1=CC=CC=C1 10045 [0,0,0,0,2,0|1,1,0]=4