0 B21R2.257631 O=C(C=CC1=CC=CC=C1)CCCCC2=CC=CC=C2 CNP0159076.0 [0,0,0,0,0,0|1,0,2]=3 1 B21R2.257631 O=C(C=CC1=CC=CC=C1)NCCOC2=CC=CC=C2 CNP0490707.0 [0,0,0,0,0,0|2,0,1]=3 2 B21R2.257631 O=C(C=CC1=CC=CC=C1)OCC=CC2=CC=CC=C2 CNP0189654.0 [0,0,0,0,0,0|0,0,0]=0 3 B21R2.257631 O=C(C=CC1=CC=CC=C1)OCCCC2=CC=CC=C2 CNP0197436.0 [0,0,0,0,0,0|0,0,2]=2 4 B21R2.257631 O=C(C=CC1C=CC=CC1)OCC=CC2=CC=CC=C2 CNP0546256.0 [0,0,0,0,0,0|0,0,2]=2 5 B21R2.257631 O=C(C=CC=CC1=CC=CC=C1)CCC2=CC=CC=C2 CNP0174637.0 [0,0,0,0,0,0|1,0,3]=4 6 B21R2.257631 O=C(CCC1=CC=CC=C1)OCC=CC2=CC=CC=C2 CNP0111148.0 [0,0,0,0,0,0|0,0,2]=2 7 B21R2.257631 O=C(CCC=CC1=CC=CC=C1)CCC2=CC=CC=C2 CNP0146787.0 [0,0,0,0,0,0|1,0,2]=3 8 B20R2.2703 C(=CC1=CC=CC=C1)COC=CCC2=CC=CC=C2 CNP0018482.0 [1,0,0,0,0,0|0,0,1]=2 9 B20R2.2703 C(=CC1=CC=CC=C1)COCC=CC2=CC=CC=C2 CNP0074688.0 [1,0,0,0,0,0|0,0,1]=2 10 B20R2.2703 C(=CC=CC1=CC=CC=C1)C=CCC2=CC=CC=C2 CNP0233545.0 [1,0,0,0,0,0|1,0,2]=4 11 B22R2.4392 O=C(C=CC1=CC=CC=C1)OCC=CC2=CC=C(C=C2)O CNP0510442.0 [0,1,0,0,0,0|0,0,0]=1 12 B22R2.4392 O=C(C=CC1=CC=CC=C1)OCCCC2=CC=C(C=C2)O CNP0182131.0 [0,1,0,0,0,0|0,0,2]=3 13 B22R2.23174 O=C(C=CC1=CC=C(C=C1)O)OCC=CC2=CC=CC=C2 CNP0142421.0 [0,1,0,0,0,0|0,0,0]=1 14 B22R2.23174 O=C(CCC=CC1=CC=CC=C1)CCC2=CC=C(C=C2)O CNP0360578.0 [0,1,0,0,0,0|1,0,2]=4 15 B22R2.34114 O=C(/C=C/C1=CC=CC=C1)C[C@@H](O)CCC2=CC=CC=C2 CNP0174496.2 [0,1,0,0,0,0|1,0,2]=4 16 B22R2.34114 O=C(/C=C/C1=CC=CC=C1)C[C@H](O)CCC2=CC=CC=C2 CNP0174496.1 [0,1,0,0,0,0|1,0,2]=4 17 B22R2.34114 O=C(C=CC1=CC=CC=C1)CC(=O)C=CC2=CC=CC=C2 CNP0298764.0 [0,1,0,0,0,0|1,0,1]=3 18 B22R2.34114 O=C(C=CC1=CC=CC=C1)OC(=O)C=CC2=CC=CC=C2 CNP0153968.0 [0,1,0,0,0,0|0,0,1]=2 19 B22R2.34114 O=C(CCC1=CC=CC=C1)C[C@@H](O)/C=C/C2=CC=CC=C2 CNP0201753.1 [0,1,0,0,0,0|1,0,2]=4 20 B22R2.34114 O=C(CCC1=CC=CC=C1)C[C@H](O)/C=C/C2=CC=CC=C2 CNP0201753.2 [0,1,0,0,0,0|1,0,2]=4 21 B22R2.34137 O=C(COC(=O)C=CC1=CC=CC=C1)NC2=CC=CC=C2 CNP0009993.0 [0,1,0,0,0,0|1,0,0]=2 22 B22R2.202375 O=C(CCC1=CC=CC=C1O)OCC=CC2=CC=CC=C2 CNP0086426.0 [0,1,0,0,0,0|0,0,2]=3 23 B22R2.359957 O=C(C[C@@H](O)C1=CC=CC=C1)OC/C=C/C2=CC=CC=C2 CNP0184479.1 [0,1,0,0,0,0|0,0,2]=3 24 B22R3.63943 O=C(C=CC1=CC=CC=C1)C2=CC=CC3=CC=CC=C23 CNP0053006.0 [0,0,0,1,0,0|1,0,1]=3 25 B22R3.63949 O=C(C=CC1=CC=CC=C1)NC2=CNC3=CC=CC=C23 CNP0399119.0 [0,0,0,1,0,0|2,0,1]=4 26 B20R2.10810 O=C(CC1=CC=CC=C1)OCC=CC2=CC=CC=C2 CNP0086021.0 [0,0,0,0,1,0|0,0,1]=2 27 B20R2.174735 O=C(C=CC1=CC=CC=C1)NC=CC2=CC=CC=C2 CNP0184623.0 [0,0,0,0,1,0|1,0,0]=2 28 B20R2.174735 O=C(C=CC1=CC=CC=C1)NCCC2=CC=CC=C2 CNP0289324.0 [0,0,0,0,1,0|1,0,1]=3 29 B20R2.174735 O=C(C=CC1=CC=CC=C1)OCCC2=CC=CC=C2 CNP0126911.0 [0,0,0,0,1,0|0,0,1]=2 30 B20R2.174735 O=C(CCC1=CC=CC=C1)OCCC2=CC=CC=C2 CNP0330089.0 [0,0,0,0,1,0|0,0,3]=4 31 B21R2.18995 CC1=CC=C(C=C1)C=CC(=O)NCCC2=CC=CC=C2 CNP0145874.0 [0,1,0,0,1,0|1,0,1]=4 32 B21R2.18995 O=C(C=CC1=CC=C(C=C1)Cl)NCCC2=CC=CC=C2 CNP0503242.0 [0,1,0,0,1,0|1,0,1]=4 33 B21R2.18995 O=C(C=CC1=CC=C(C=C1)O)NCCC2=CC=CC=C2 CNP0230683.0 [0,1,0,0,1,0|1,0,1]=4 34 B21R2.18995 O=C(C=CC1=CC=C(C=C1)O)OCCC2=CC=CC=C2 CNP0407687.0 [0,1,0,0,1,0|0,0,1]=3 35 B21R2.19000 O=C(C=CC1=CC=CC=C1)NCCC2=CC=C(C=C2)O CNP0289407.0 [0,1,0,0,1,0|1,0,1]=4 36 B21R2.27922 CN(C=CC1=CC=CC=C1)C(=O)C=CC2=CC=CC=C2 CNP0131365.0 [0,1,0,0,1,0|1,0,0]=3 37 B21R2.27922 CN(CCC1=CC=CC=C1)C(=O)C=CC2=CC=CC=C2 CNP0173287.0 [0,1,0,0,1,0|1,0,1]=4 38 B21R2.27923 O=C(/C=C/C1=CC=CC=C1)NC[C@@H](O)C2=CC=CC=C2 CNP0120270.1 [0,1,0,0,1,0|1,0,1]=4 39 B23R2.4036 O=C(C=CC1=CC=C(C=C1)O)OCC=CC2=CC=C(C=C2)O CNP0178177.0 [0,2,0,0,0,0|0,0,0]=2 40 B23R2.4036 O=C(C=CC1=CC=C(C=C1)O)OCCCC2=CC=C(C=C2)O CNP0363119.0 [0,2,0,0,0,0|0,0,2]=4 41 B23R2.4036 O=C(C=CC=CC1=CC=C(C=C1)O)C=CC2=CC=C(C=C2)O CNP0212240.0 [0,2,0,0,0,0|1,0,1]=4 42 B23R2.25627 O=C(C=CC1=CC=CC=C1)OC(=O)C=CC2=CC=C(C=C2)O CNP0500034.0 [0,2,0,0,0,0|0,0,1]=3 43 B23R2.7311 COC1=CC=C(C=C1)C=CC(=O)OCC=CC2=CC=CC=C2 CNP0565796.0 [0,2,0,0,0,0|0,0,0]=2 44 B23R2.719369 O=C(C=CC1=CC=C(C(=C1)O)O)OCC=CC2=CC=CC=C2 CNP0123305.0 [0,2,0,0,0,0|0,0,0]=2 45 B21R3.8058 O=C1OCC(=C1C2=CC=CC=C2)CC3=CC=CC=C3 CNP0320116.0 [0,0,0,1,1,0|0,0,1]=3 46 B21R3.21623 O=C1CCCC(=C1C2=CC=CC=C2)C3=CC=CC=C3 CNP0168308.0 [0,0,0,1,1,0|1,0,1]=4 47 B21R3.21623 O=C1CCSC(=C1C2=CC=CC=C2)C3=CC=CC=C3 CNP0065966.0 [0,0,0,1,1,0|2,0,0]=4 48 B21R3.8204 O=C1OCC(=C1CC2=CC=CC=C2)C3=CC=CC=C3 CNP0348847.0 [0,0,0,1,1,0|0,0,1]=3 49 B23R3.1958031 O=C(/C=C/C1=CC=CC=C1)OC[C@H]2O[C@H]2C3=CC=CC=C3 CNP0229443.1 [0,0,0,1,0,1|0,0,2]=4 50 B23R3.1958031 O=C(/C=C\C1=CC=CC=C1)OC[C@H]2O[C@@H]2C3=CC=CC=C3 CNP0229443.2 [0,0,0,1,0,1|0,0,2]=4 51 B23R3.3560299 O=C(C=CC1=CC=CC=C1)OC2=CC=C3C=CC=CC3=C2 CNP0510408.0 [0,1,0,1,0,0|0,0,1]=3 52 B19R2.2628 C(=CC1=CC=CC=C1)CCC=CC2=CC=CC=C2 CNP0059585.0 [1,0,0,0,1,0|0,0,1]=3 53 B19R2.8899 O=C(OCC=CC1=CC=CC=C1)C2=CC=CC=C2 CNP0364935.0 [0,0,0,0,2,0|0,0,0]=2 54 B19R2.8900 O=C(CC1=CC=CC=C1)OC=CC2=CC=CC=C2 CNP0209291.0 [0,0,0,0,2,0|0,0,1]=3 55 B19R2.8900 O=C(CC1=CC=CC=C1)OCCC2=CC=CC=C2 CNP0185180.0 [0,0,0,0,2,0|0,0,2]=4 56 B19R2.16162 O=C(C=CC1=CC=CC=C1)C=CC2=CC=CC=C2 CNP0336695.0 [0,0,0,0,2,0|0,0,0]=2 57 B19R2.16162 O=C(C=CC1=CC=CC=C1)NCC2=CC=CC=C2 CNP0242471.0 [0,0,0,0,2,0|1,0,0]=3 58 B19R2.16162 O=C(C=CC1=CC=CC=C1)NNC2=CC=CC=C2 CNP0062980.0 [0,0,0,0,2,0|2,0,0]=4 59 B19R2.16162 O=C(C=CC1=CC=CC=C1)OCC2=CC=CC=C2 CNP0218791.0 [0,0,0,0,2,0|0,0,0]=2 60 B23R2.477435 O=C(C=CC=CC1=CC=CC=C1)C=CC=CC2=CC=CC=C2 CNP0053683.0 [0,0,0,0,0,2|1,0,1]=4