0 B13R1.45 CC(Cl)CCC(=O)C1=CC=CC=C1 10584 [0,0,0,0,0,0|2,0,0]=2 1 B13R1.45 CC(O)CCC(=O)C1=CC=CC=C1 14040 [0,0,0,0,0,0|2,0,0]=2 2 B13R1.45 CN(C)\C=C\C(=O)C1=CC=CN=C1 31949 [0,0,0,0,0,0|3,0,1]=4 3 B13R1.45 CN(C)\C=C\C(=O)C1=NC=CC=C1 23485 [0,0,0,0,0,0|3,0,1]=4 4 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 28194 [0,0,0,0,0,0|3,0,1]=4 5 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 14914 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.30 CCCCC(=O)C1=CC=CC=C1 25461 [1,0,0,0,0,0|1,0,0]=2 7 B12R1.30 CNCCC(=O)C1=CC=CC=C1 20705 [1,0,0,0,0,0|2,0,0]=3 8 B12R1.30 O=C(OCCCl)C1=CC=CC=C1 19864 [1,0,0,0,0,0|1,0,0]=2 9 B12R1.252 CC(=O)COCC1=CC=CC=C1 16411 [1,0,0,0,0,0|1,0,2]=4 10 B14R1.163 COC(=O)CCC(=O)C1=CC=CC=C1 28193 [0,1,0,0,0,0|2,0,1]=4 11 B14R1.417 CC(Cl)CC(Cl)C(=O)C1=CC=CC=C1 10585 [0,1,0,0,0,0|2,0,0]=3 12 B14R2.68 O[C@H]1CO[C@@H](C2=CC=CC=C2)OC1 21308 [0,0,0,1,0,0|1,0,2]=4 13 B14R2.403 CC1(C)COC(C2=CC=CN=C2)=N1 8698 [0,0,0,1,0,0|2,0,0]=3 14 B14R2.29285 CC1(C)CCC(=O)C2=CC=CC=C21 25726 [0,0,0,1,0,0|1,0,0]=2 15 B12R1.107 CC(=O)CC(=O)C1=CC=NC=C1 16697 [0,0,0,0,1,0|2,0,1]=4 16 B12R1.107 CC(=O)CC(=O)C1=NC=CC=C1 35878 [0,0,0,0,1,0|2,0,1]=4 17 B12R1.107 CC(C)N[C@H](C)C1=CC=CC=C1 16362 [0,0,0,0,1,0|2,0,1]=4 18 B12R1.107 O=C(C[N+](=O)[O-])C1=CC=CC=C1 10700 [0,0,0,0,1,0|3,0,0]=4 19 B11R1.16 CCCC(=O)C1=CC=CN=C1 34740 [2,0,0,0,0,0|1,0,0]=3 20 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 24143 [2,0,0,0,0,0|1,0,1]=4 21 B11R1.16 CCOC(=O)C1=CC=NC=C1 11139 [2,0,0,0,0,0|1,0,0]=3 22 B11R1.16 CCOC(=O)C1=CC=NC=C1 11733 [2,0,0,0,0,0|1,0,0]=3 23 B11R1.16 CCOC(=O)C1=CN=CC=C1 11727 [2,0,0,0,0,0|1,0,0]=3 24 B11R1.16 CCOC(=O)C1=NC=CC=C1 11659 [2,0,0,0,0,0|1,0,0]=3 25 B11R1.16 CCOC(=O)C1=NC=NC=C1 20807 [2,0,0,0,0,0|2,0,0]=4 26 B11R1.16 CNCC(=O)C1=CC=CC=C1 19826 [2,0,0,0,0,0|1,0,0]=3 27 B11R1.16 C\C=C\C(=O)C1=CC=CC=C1 14016 [2,0,0,0,0,0|0,0,2]=4 28 B11R1.16 N#CCC(=O)C1=CC=CC=C1 14543 [2,0,0,0,0,0|1,0,1]=4 29 B11R1.16 NCCC(=O)C1=CC=CC=C1 29292 [2,0,0,0,0,0|1,0,0]=3 30 B11R1.16 O=C(CCCl)C1=CC=CC=C1 14089 [2,0,0,0,0,0|1,0,0]=3 31 B11R1.16 O=C(CCF)C1=CC=CC=C1 26688 [2,0,0,0,0,0|1,0,0]=3 32 B11R1.16 O=C(NCO)C1=CC=CC=C1 12540 [2,0,0,0,0,0|2,0,0]=4 33 B11R1.28 CCCCCC1=CC=CC=C1 16788 [2,0,0,0,0,0|1,0,1]=4 34 B11R1.28 CCCCOC1=CC=CC=C1 12529 [2,0,0,0,0,0|2,0,0]=4 35 B11R1.28 OCCOCC1=CC=CC=C1 1939 [2,0,0,0,0,0|1,0,1]=4 36 B13R1.17 O=C(CCCCl)C1=CC=C(F)C=C1 25203 [1,1,0,0,0,0|2,0,0]=4 37 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 29302 [1,1,0,0,0,0|0,0,0]=2 38 B13R1.47 CCOC(=O)C(=O)C1=CC=CC=C1 14031 [1,1,0,0,0,0|2,0,0]=4 39 B13R1.47 O=C(C1=CC=CC=C1)C(Cl)CCCl 10583 [1,1,0,0,0,0|2,0,0]=4 40 B13R1.132 CC(C)NC(=O)C1=NC=C(Br)C=C1 9632 [0,1,0,0,1,0|2,0,0]=4 41 B13R1.152 CC(=O)C(C)C(=O)C1=CC=CC=C1 25323 [0,1,0,0,1,0|1,0,1]=4 42 B13R1.201 CC(C)CC(=O)C1=C(Br)C=CC=C1 25704 [0,1,0,0,1,0|0,0,0]=2 43 B15R1.3675 CC(C)C(=O)CC(=O)NC1=CC=CC=C1 24247 [0,1,0,0,0,1|1,0,1]=4 44 B13R2.3 C1=CC=C(C2=CCCCC2)C=C1 1894 [1,0,0,1,0,0|2,0,0]=4 45 B13R2.371 CC1CCC(=O)C2=CC=CC=C21 11038 [1,0,0,1,0,0|1,0,0]=3 46 B13R2.5252 O=C1CCCCC2=C1C=CC=C2 13787 [1,0,0,1,0,0|1,0,0]=3 47 B13R2.5252 O=C1CCCNC2=C1C=CC=C2 17356 [1,0,0,1,0,0|2,0,0]=4 48 B13R2.5252 O=C1CCNCC2=C1C=CC=C2 25332 [1,0,0,1,0,0|2,0,0]=4 49 B13R2.2382 C1=CC=C(COCC2CO2)C=C1 22384 [1,0,0,1,0,0|1,0,1]=4 50 B13R2.2382 c1ccc(COC[C@@H]2CO2)cc1 5855 [1,0,0,1,0,0|1,0,1]=4 51 B13R2.2382 c1ccc(COC[C@H]2CO2)cc1 5849 [1,0,0,1,0,0|1,0,1]=4 52 B13R2.3122 CC1(C)CCSC2=CC=CC=C21 16388 [1,0,0,1,0,0|2,0,0]=4 53 B13R2.12159 CC1(C)OB(O)C2=C1C=CC=C2 31974 [0,0,0,1,1,0|1,0,1]=4 54 B15R2.7494 CC1(C)CCC(=O)C2=CC(Br)=CC=C21 25728 [0,1,0,1,0,0|1,0,0]=3 55 B15R2.7494 CC1(C)OCC(=O)C2=CC(Br)=CC=C21 17491 [0,1,0,1,0,0|2,0,0]=4 56 B15R2.467 CC1(C)COB(C2=CC=CC=C2)OC1 25104 [0,1,0,1,0,0|1,0,1]=4 57 B11R1.91 CC(=O)COC1=CC=CC=C1 20265 [1,0,0,0,1,0|1,0,1]=4 58 B11R1.91 CC(N)CCC1=CC=CC=C1 21082 [1,0,0,0,1,0|1,0,1]=4 59 B11R1.91 C[C@H](O)COC1=CC=CC=C1 15590 [1,0,0,0,1,0|1,0,0]=3 60 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 34717 [0,0,0,0,2,0|1,0,0]=3 61 B11R1.36 CN(C)C(=O)C1=CC=CC=C1 7881 [0,0,0,0,2,0|1,0,0]=3 62 B11R1.36 O=C(C1=CC=CC=C1)C(F)F 29143 [0,0,0,0,2,0|2,0,0]=4 63 B13R1.44 CCOCC(=O)NC1=CC=CC=C1 3367 [1,0,0,0,0,1|2,0,0]=4