0 B20R2.10963774 CC(C)NC[C@@H](O)COc1cccc2ccccc12 Amb23437866 [0,0,0,0,0,0|0,0,0]=0 1 B19R2.1021309 CC(=O)NCCCOc1cccc2c1nccc2 Amb13847890 [1,0,0,0,0,0|2,0,1]=4 2 B19R2.1682031 [N-]=[N+]=NCC(COc1cccc2c1cccc2)O Amb17608703 [1,0,0,0,0,0|2,0,1]=4 3 B21R2.210872 CC(C)NCC(O)COC1=CC(=O)Oc2ccccc12 Amb21997879 [0,1,0,0,0,0|1,0,0]=2 4 B21R2.210872 Cc1cc(OCC(O)COC(C)C)c2ccccc2[n]1 Amb24264287 [0,1,0,0,0,0|2,0,0]=3 5 B21R2.3237171 OC(COc1cccc2c1cc(O)cc2)CNC(C)C Amb17615794 [0,1,0,0,0,0|0,0,0]=1 6 B21R2.4389558 OC(COc1cccc2c1cccc2O)CNC(C)C Amb17615788 [0,1,0,0,0,0|0,0,0]=1 7 B21R2.4494802 CC(C)NC[C@@H](O)COc1ccc(O)c2ccccc21 Amb24100970 [0,1,0,0,0,0|0,0,0]=1 8 B21R2.4494802 O[C@@H](COc1ccc(c2c1cccc2)O)CNC(C)C Amb17615784 [0,1,0,0,0,0|0,0,0]=1 9 B19R1.10443 C=CCOc1ccccc1OCC(CNC(C)C)O Amb17619037 [0,0,1,0,0,0|1,0,1]=3 10 B19R2.199 CC(C)NCC(O)COc1c[s]c2ccccc12 Amb24064471 [0,0,0,0,1,0|1,0,0]=2 11 B19R2.1022145 CC(C)NCC(O)COc1cccc2C=CCc12 Amb22167592 [0,0,0,0,1,0|0,0,1]=2 12 B19R2.1022145 CC(C)NCC(O)COc1cccc2CCCc12 Amb24063880 [0,0,0,0,1,0|0,0,3]=4 13 B19R2.1022145 CC(C)NCC(O)COc1cccc2CCNc21 Amb24082157 [0,0,0,0,1,0|1,0,2]=4 14 B19R2.1022145 CC(C)NCC(O)COc1cccc2ccoc21 Amb24064467 [0,0,0,0,1,0|1,0,0]=2 15 B19R2.1022145 CC(C)NC[C@H](O)COc1cccc2[nH]ccc12 Amb22350168 [0,0,0,0,1,0|1,0,0]=2 16 B19R2.3465413 CC(C)NCC(=O)Nc1cccc2ccccc21 Amb19971221 [0,0,0,0,1,0|1,0,2]=4 17 B19R2.6063385 CC(C)NC(=O)CCc1cccc2ccccc12 Amb19554054 [0,0,0,0,1,0|1,0,2]=4 18 B19R2.6063385 CC(NC(=O)COc1cccc2c1cccc2)C Amb1215560 [0,0,0,0,1,0|0,0,2]=3 19 B19R2.6063385 CC(NC(=O)COc1cccc2c1nccc2)C Amb10665719 [0,0,0,0,1,0|1,0,2]=4 20 B19R2.6063385 CN(C)CC(O)COc1cccc2ccccc21 Amb21876033 [0,0,0,0,1,0|1,0,0]=2 21 B18R1.4935 CC(C)NCC(C)COc1ccccc1CC=C Amb23952246 [1,0,1,0,0,0|1,0,1]=4 22 B18R1.4935 CC(C)NCC(O)COc1ccccc1CC=C Amb22049840 [1,0,1,0,0,0|0,0,1]=3 23 B18R2.165811 CCNCCNCc1cccc2ccccc21 Amb25405999 [2,0,0,0,0,0|2,0,0]=4 24 B18R2.892603 CCNC(=O)COc1cccc2c1cccc2 Amb1233129 [2,0,0,0,0,0|0,0,2]=4 25 B18R2.892603 CNCC(COc1cccc2c1cccc2)O Amb15740901 [2,0,0,0,0,0|0,0,0]=2 26 B18R2.892603 N#CCC(COc1cccc2c1cccc2)O Amb17247732 [2,0,0,0,0,0|1,0,1]=4 27 B20R2.5183951 CC(C)(N)COCCOc1cccc2ccccc21 Amb18630807 [1,1,0,0,0,0|2,0,0]=4 28 B20R2.982690 C\N=C(/N)\CC(O)COc1cccc2ccccc21 Amb20671042 [1,1,0,0,0,0|2,0,0]=4 29 B20R2.152960 Cc1cc2c(cccc2OCC(O)CNC(C)C)[nH]1 Amb22055675 [0,1,0,0,1,0|1,0,0]=3 30 B20R2.507147 CC(C)CC(O)CNc1cc[n]c2c1cccc2Br Amb23620981 [0,1,0,0,1,0|2,0,0]=4 31 B20R2.507147 CN(CC(COc1cccc2c1cccc2N)C)C Amb17133135 [0,1,0,0,1,0|2,0,0]=4 32 B20R2.578813 CC(NC(=O)COc1ccc(c2c1cccc2)Cl)C Amb172785 [0,1,0,0,1,0|0,0,2]=4 33 B20R2.778678 O=C(NC(C)(C)C)COc1cccc2c1cccc2 Amb1212516 [0,1,0,0,1,0|0,0,2]=4 34 B20R2.938200 CC(C)CC(CO)NCc1cccc2ccccc21 Amb24809819 [0,1,0,0,1,0|2,0,0]=4 35 B22R2.5850150 Cc1cc(OCC(O)COC(C)C)c2cccc(F)c2[n]1 Amb24241800 [0,2,0,0,0,0|2,0,0]=4 36 B22R2.3125848 COc1ccc2c(c1)c(OCC(CNC(C)C)O)ccc2 Amb17617086 [0,2,0,0,0,0|0,0,0]=2 37 B22R2.9081949 COc1cccc2c1cccc2OCC(CNC(C)C)O Amb17616832 [0,2,0,0,0,0|0,0,0]=2 38 B22R2.1156965 COc1ccc(c2c1cccc2)OCC(CNC(C)C)O Amb17617083 [0,2,0,0,0,0|0,0,0]=2 39 B22R2.1156965 COc1ccc(c2c1cccc2)OC[C@@H](CNC(C)C)O Amb17617085 [0,2,0,0,0,0|0,0,0]=2 40 B22R2.40513853 CCNC(=O)NCC(COc1cccc2c1cccc2)O Amb15366738 [0,2,0,0,0,0|1,0,1]=4 41 B20R2.28938 CC(C)OCC(O)COc1cc2ccccc2[n]c1 Amb24249103 [0,0,1,1,0,0|2,0,0]=4 42 B20R2.28938 OC(COc1ccc2c(c1)cccc2)CNC(C)C Amb1251799 [0,0,1,1,0,0|0,0,0]=2 43 B20R3.161 CC1CN(Cc2cccc3ccccc23)CCN1 Amb25413066 [1,0,0,1,0,0|2,0,0]=4 44 B20R3.161 C[C@@H]1CN(Cc2cccc3ccccc23)CCN1 Amb25415726 [1,0,0,1,0,0|2,0,0]=4 45 B20R3.161 C[C@H]1CN(Cc2cccc3ccccc23)CCN1 Amb25415914 [1,0,0,1,0,0|2,0,0]=4 46 B20R3.15616 CC(C)NCC1CC1c2cccc3ccc[n]c32 Amb23976667 [1,0,0,1,0,0|2,0,0]=4 47 B20R3.34644 C(COc1cccc2c1cccc2)NCC3CC3 Amb17255728 [1,0,0,1,0,0|2,0,0]=4 48 B20R3.328287 CC(C1CCCOc2c1ccc3c2cccc3)N Amb17582194 [1,0,0,1,0,0|2,0,0]=4 49 B20R3.265 OC1CCCCC1Oc2cccc3ccc[n]c32 Amb23919503 [1,0,0,1,0,0|2,0,0]=4 50 B20R3.265 OC1CCCCC1Oc2cccc3ccccc23 Amb23919525 [1,0,0,1,0,0|1,0,0]=3 51 B20R3.2720 C(Oc1cccc2ccccc21)C3CCCCO3 Amb22266033 [1,0,0,1,0,0|1,0,0]=3 52 B20R3.2720 C(Oc1cccc2ccccc21)C3CSCCN3 Amb18588073 [1,0,0,1,0,0|2,0,0]=4 53 B20R3.2720 C1NCCCC1COc2cccc3ccc[n]c32 Amb21954847 [1,0,0,1,0,0|2,0,0]=4 54 B20R3.2720 C1NCCCC1COc2cccc3ccccc32 Amb21954018 [1,0,0,1,0,0|1,0,0]=3 55 B20R3.2720 C1NCCOC1COc2cccc3ccc[n]c32 Amb22503752 [1,0,0,1,0,0|1,0,0]=3 56 B20R3.2720 C1OCCNC1COc2cccc3ccccc32 Amb18578238 [1,0,0,1,0,0|2,0,0]=4 57 B20R3.27720 CC1CC(O)(Cc2cccc3ccccc23)CC1 Amb23998061 [0,0,0,1,1,0|1,0,0]=3 58 B20R3.27720 CN1CC(O)(Cc2cccc3ccccc23)CC1 Amb23997705 [0,0,0,1,1,0|2,0,0]=4 59 B22R3.6743942 CC1(C)COCC(COc2cccc3ccccc32)N1 Amb18075562 [0,0,0,1,0,1|2,0,0]=4 60 B22R3.6306253 CC1(C)COC(CN1)COc2cccc3ccccc32 Amb18075563 [0,1,0,1,0,0|0,0,0]=2 61 B18R2.2459307 CC(C)CCC(N)c1cccc2ccccc21 Amb23955046 [0,0,0,0,2,0|2,0,0]=4 62 B18R2.2880857 CC(C)NC(C)Cc1cccc2ccccc21 Amb23595542 [0,0,0,0,2,0|1,0,0]=3 63 B18R2.2880857 CC(NC(=O)Cc1cccc2c1cccc2)C Amb15817243 [0,0,0,0,2,0|0,0,2]=4 64 B18R2.2417296 CC(C)C(O)CCc1cccc2ccccc21 Amb23936631 [0,0,0,0,2,0|1,0,0]=3 65 B18R2.2417296 CC(C)[C@@H](N)COc1cccc2ccc[n]c21 Amb18538737 [0,0,0,0,2,0|2,0,0]=4 66 B18R2.2417296 CC(C)[C@@H](N)COc1cccc2ccccc12 Amb18538728 [0,0,0,0,2,0|1,0,0]=3 67 B20R2.1477122 CC(CNCCCOc1cccc2c1nccc2)C Amb17266648 [1,0,0,0,0,1|1,0,0]=3 68 B20R2.1477122 CC(OCCCNCc1cccc2c1cccc2)C Amb1851121 [1,0,0,0,0,1|2,0,0]=4