0 B13R1.351 CC(N)C(=O)OCC1=CC=CC=C1 CS14334 [0,0,0,0,0,0|1,0,0]=1 1 B13R1.351 CC(N)C(=O)OCc1ccccc1 MC436155 [0,0,0,0,0,0|1,0,0]=1 2 B13R1.351 CC(N)C(=O)OCc1ccccc1 MC436157 [0,0,0,0,0,0|1,0,0]=1 3 B13R1.351 CC(N)C(=O)OCc1ccccc1 MC436158 [0,0,0,0,0,0|1,0,0]=1 4 B13R1.351 CC(O)C(=O)OCC1=CC=CC=C1 MC437818 [0,0,0,0,0,0|1,0,0]=1 5 B13R1.351 CN(N)C(=O)OCC1=CC=CC=C1 CS15331 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.27 CC(CO)OCC1=CC=CC=C1 MC106974 [1,0,0,0,0,0|2,0,1]=4 7 B12R1.27 COC(=O)CCC1=CC=CC=C1 MC433965 [1,0,0,0,0,0|2,0,0]=3 8 B12R1.27 NCC(=O)OCC1=CC=CC=C1 MC428105 [1,0,0,0,0,0|1,0,0]=2 9 B12R1.27 NCC(=O)OCc1ccccc1 MC437714 [1,0,0,0,0,0|1,0,0]=2 10 B12R1.27 NCC(=O)OCc1ccccc1 MC437715 [1,0,0,0,0,0|1,0,0]=2 11 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CS20449 [1,0,0,0,0,0|2,0,0]=3 12 B12R1.27 NNC(=O)OCc1ccccc1 MC438484 [1,0,0,0,0,0|2,0,0]=3 13 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 CS19947 [1,0,0,0,0,0|1,0,0]=2 14 B12R1.252 CC(C)=CCSC1=CC=CC=C1 MC41831 [1,0,0,0,0,0|2,0,1]=4 15 B12R1.252 CC(O)COCC1=CC=CC=C1 CS20248 [1,0,0,0,0,0|1,0,1]=3 16 B14R1.756 C(N)(CO)C(=O)OCC1=CC=CC=C1 MC438162 [0,1,0,0,0,0|1,0,0]=2 17 B14R1.756 CC(OCc1ccccc1)C(N)CO MC439061 [0,1,0,0,0,0|2,0,1]=4 18 B14R1.756 NC(CO)C(=O)OCc1ccccc1 CS13835 [0,1,0,0,0,0|1,0,0]=2 19 B14R1.756 NC(CO)C(=O)OCc1ccccc1 MC438161 [0,1,0,0,0,0|1,0,0]=2 20 B14R1.3099 CC(C)(N)C(=O)OCC1=CC=CC=C1 MC436137 [0,1,0,0,0,0|0,0,0]=1 21 B14R1.3099 N=C(OCC1=CC=CC=C1)C(Cl)(Cl)Cl MC445661 [0,1,0,0,0,0|3,0,0]=4 22 B14R2.260 CC1CN(C2=CC=CC=C2)NC1=O CS10019 [0,0,0,1,0,0|2,0,0]=3 23 B14R2.2899 O=C(OCC1=CC=CC=C1)N2CC2 MC430585 [0,0,0,1,0,0|1,0,0]=2 24 B11R1.28 BrCCOCC1=CC=CC=C1 CS10998 [2,0,0,0,0,0|1,0,1]=4 25 B11R1.28 NCCOCC1=CC=CC=C1 CS20892 [2,0,0,0,0,0|1,0,1]=4 26 B11R1.28 OCCOCC1=CC=CC=C1 MC20071 [2,0,0,0,0,0|1,0,1]=4 27 B11R1.91 CC(=O)COC1=CC=CC=C1 MC433248 [2,0,0,0,0,0|2,0,0]=4 28 B11R1.91 CC(=O)OCC1=CC=CN=C1 MC33425 [2,0,0,0,0,0|1,0,0]=3 29 B11R1.91 NC(=O)OCC1=CC=CC=C1 MC428066 [2,0,0,0,0,0|1,0,0]=3 30 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 MC42251 [2,0,0,0,0,0|1,0,0]=3 31 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 MC42230 [1,1,0,0,0,0|2,0,0]=4 32 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 MC42231 [1,1,0,0,0,0|2,0,0]=4 33 B13R1.14 COC(=O)CCC1=CC=C(Br)C=C1 CS12844 [1,1,0,0,0,0|2,0,0]=4 34 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 CS11125 [1,1,0,0,0,0|2,0,0]=4 35 B13R1.15 COC(=O)CCC1=CC(Br)=CC=C1 MC433967 [1,1,0,0,0,0|2,0,0]=4 36 B13R1.42 C=COC(=O)OCC1=CC=CC=C1 MC111305 [1,1,0,0,0,0|0,0,2]=4 37 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 MC428315 [1,1,0,0,0,0|1,0,0]=3 38 B13R1.42 CNCC(=O)OCc1ccccc1 MC438153 [1,1,0,0,0,0|0,0,0]=2 39 B13R1.42 NCCC(=O)OCc1ccccc1 MC436156 [1,1,0,0,0,0|0,0,0]=2 40 B13R1.135 COC(=O)C(Br)CC1=CC=CC=C1 MC112426 [1,1,0,0,0,0|2,0,0]=4 41 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 CS11158 [1,1,0,0,0,0|2,0,0]=4 42 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 MC428077 [1,1,0,0,0,0|2,0,0]=4 43 B13R1.135 COC(=O)C(N)Cc1ccccc1 MC438088 [1,1,0,0,0,0|2,0,0]=4 44 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 CS11127 [1,1,0,0,0,0|2,0,0]=4 45 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 CS14552 [1,1,0,0,0,0|2,0,0]=4 46 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 CS21578 [1,1,0,0,0,0|2,0,0]=4 47 B13R1.135 NC(Cc1ccccc1)C(=O)CCl MC438073 [1,1,0,0,0,0|2,0,0]=4 48 B13R1.528 COC(=O)CCC1=C(Br)C=CC=C1 MC433966 [1,1,0,0,0,0|2,0,0]=4 49 B13R1.718 CC(CN)COCC1=CC=CC=C1 MC103315 [1,1,0,0,0,0|0,0,1]=3 50 B13R1.718 NC(CO)COCC1=CC=CC=C1 CS13312 [1,1,0,0,0,0|1,0,1]=4 51 B13R1.718 OCC(O)COCC1=CC=CC=C1 CS20085 [1,1,0,0,0,0|1,0,1]=4 52 B13R1.718 OCC(O)COCC1=CC=CC=C1 MC436292 [1,1,0,0,0,0|1,0,1]=4 53 B13R1.718 OCC(O)COCC1=CC=CC=C1 MC436293 [1,1,0,0,0,0|1,0,1]=4 54 B13R1.3523 CC(C)(O)CNCC1=CC=CC=C1 MC103302 [1,1,0,0,0,0|1,0,1]=4 55 B13R1.148 CN(C)C(=O)OC1=CC(N)=CC=C1 MC443265 [0,1,0,0,1,0|1,0,0]=3 56 B13R1.148 CN(C)C(=O)OC1=CC=C[N+](C)=C1 MC34035 [0,1,0,0,1,0|2,0,0]=4 57 B15R1.741 CC(CCl)NC(=O)OCC1=CC=CC=C1 MC106767 [0,1,0,0,0,1|0,0,0]=2 58 B15R1.3678 CC(C)C(N)C(=O)OCC1=CC=CC=C1 CS11561 [0,1,0,0,0,1|0,0,0]=2 59 B15R1.3678 CC(C)C(N)C(=O)OCC1=CC=CC=C1 MC20664 [0,1,0,0,0,1|0,0,0]=2 60 B15R1.3678 CC(C)C(N)C(=O)OCc1ccccc1 MC438302 [0,1,0,0,0,1|0,0,0]=2 61 B15R1.3678 CC(O)C(N)C(=O)OCC1=CC=CC=C1 MC113757 [0,1,0,0,0,1|1,0,0]=3 62 B15R1.3678 CC(O)C(N)C(=O)OCc1ccccc1 MC438203 [0,1,0,0,0,1|1,0,0]=3 63 B15R1.3678 CC(O)C(N)C(=O)OCc1ccccc1 MC438204 [0,1,0,0,0,1|1,0,0]=3 64 B15R1.8263 CC(C)NC(=O)NCC1=CC(Br)=CC=C1 MC112537 [0,1,0,0,0,1|1,0,0]=3 65 B15R1.3675 CC(C)C(=O)CC(=O)NC1=CC=CC=C1 MC20988 [0,1,0,0,0,1|1,0,1]=4 66 B15R1.348 CC(C)(C=O)C(=O)OCC1=CC=CC=C1 MC111941 [0,2,0,0,0,0|0,0,0]=2 67 B15R1.348 CC(C)(CO)C(=O)OCC1=CC=CC=C1 MC425613 [0,2,0,0,0,0|0,0,0]=2 68 B15R1.826 CCCC(N)C(=O)OCc1ccccc1 MC438025 [0,2,0,0,0,0|1,0,0]=3 69 B13R2.10 O=C1CC(C2=CC=CC=C2)CN1 CS13543 [1,0,0,1,0,0|2,0,0]=4 70 B13R2.10 O=C1CCC(C2=CC=NC=C2)C1 MC106176 [1,0,0,1,0,0|2,0,0]=4 71 B13R2.10 O=C1CCC(C2=NC=CC=C2)C1 MC106175 [1,0,0,1,0,0|2,0,0]=4 72 B13R2.10 O=C1NC(C2=CC=CC=C2)CO1 CS11041 [1,0,0,1,0,0|2,0,0]=4 73 B13R2.10 O=C1NC(C2=CC=CC=C2)CO1 CS11043 [1,0,0,1,0,0|2,0,0]=4 74 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 MC442202 [1,0,0,1,0,0|1,0,0]=3 75 B13R2.2382 C1=CC=C(COCC2CO2)C=C1 MC20328 [1,0,0,1,0,0|1,0,1]=4 76 B13R2.2382 C1=CC=C(COCC2CO2)C=C1 MC20329 [1,0,0,1,0,0|1,0,1]=4 77 B13R2.2382 C1=CC=C(COCC2CO2)C=C1 MC20949 [1,0,0,1,0,0|1,0,1]=4 78 B13R2.359 CC1(C)C(=O)NC2=CC=CC=C21 MC425452 [0,0,0,1,1,0|1,0,0]=3 79 B13R2.359 CC1=Nc2ccccc2C1(C)C MC445122 [0,0,0,1,1,0|2,0,0]=4 80 B15R2.61763 CC1(C)C(=O)OC(=O)C2=CC=CC=C21 CS16617 [0,1,0,1,0,0|0,0,1]=3 81 B11R1.40 CCC(=O)CC1=CC=CC=C1 MC41289 [1,0,0,0,1,0|0,0,0]=2 82 B11R1.40 O=C(CO)CC1=CC=CC=C1 MC107738 [1,0,0,0,1,0|1,0,0]=3 83 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 MC443670 [0,0,0,0,2,0|1,0,0]=3 84 B11R1.36 CC(C)C(=O)C1=CC=CN=C1 MC429968 [0,0,0,0,2,0|1,0,0]=3