0 B13R1.45 CC(C)NNC(=O)C1=CC=NC=C1 MC111368 [0,0,0,0,0,0|3,0,0]=3 1 B13R1.45 CC(O)CCC(=O)C1=CC=CC=C1 CS14046 [0,0,0,0,0,0|2,0,0]=2 2 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 MC31215 [0,0,0,0,0,0|2,0,0]=2 3 B13R1.45 CN(C)\C=C\C(=O)C1=CC=CN=C1 CS19949 [0,0,0,0,0,0|3,0,1]=4 4 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 CS22116 [0,0,0,0,0,0|3,0,1]=4 5 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 MC439497 [0,0,0,0,0,0|3,0,1]=4 6 B13R1.45 O=C(O)CNC(=O)c1ccccc1 MC34005 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.30 CCCOC(=O)C1=CC=CC=C1 CS11887 [1,0,0,0,0,0|0,0,0]=1 8 B12R1.30 O=C(C#CCO)C1=CC=CC=C1 MC111021 [1,0,0,0,0,0|2,0,1]=4 9 B12R1.30 O=C(NCCO)C1=CN=CC=C1 CS11709 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.30 O=C(OCCCl)C1=CC=CC=C1 MC40015 [1,0,0,0,0,0|1,0,0]=2 11 B12R1.252 CC(O)COCC1=CC=CC=C1 CS20248 [1,0,0,0,0,0|1,0,1]=3 12 B12R1.252 CN(C)CCOC1=CC=CC=C1 CS11261 [1,0,0,0,0,0|3,0,0]=4 13 B14R1.3098 CC(C)(C)OOC(=O)C1=CC=CC=C1 MC40132 [0,1,0,0,0,0|1,0,0]=2 14 B14R1.3098 CC(F)(F)COC(=O)C1=CC=CC=C1 MC429357 [0,1,0,0,0,0|1,0,0]=2 15 B14R2.68 OC1COC(C2=CC=CC=C2)OC1 CS11153 [0,0,0,1,0,0|1,0,2]=4 16 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CS20784 [0,0,0,0,1,0|1,0,1]=3 17 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 CS17400 [0,0,0,0,1,0|2,0,1]=4 18 B11R1.16 CCCC(=O)C1=CC=CN=C1 MC443690 [2,0,0,0,0,0|1,0,0]=3 19 B11R1.16 CCOC(=O)C1=CC=NC=C1 MC41618 [2,0,0,0,0,0|1,0,0]=3 20 B11R1.16 CCOC(=O)C1=CN=CC=C1 CS19194 [2,0,0,0,0,0|1,0,0]=3 21 B11R1.16 CCOC(=O)C1=NC=CC=C1 CS14035 [2,0,0,0,0,0|1,0,0]=3 22 B11R1.16 N#CCC(=O)C1=CC=CC=C1 CS10995 [2,0,0,0,0,0|1,0,1]=4 23 B11R1.16 O=C(CCCl)C1=CC=CC=C1 MC41279 [2,0,0,0,0,0|1,0,0]=3 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 B13R1.17 CCCCC(=O)C1=CC=C(Cl)C=C1 CS22799 [1,1,0,0,0,0|1,0,0]=3 28 B13R1.17 O=C(CCCCl)C1=CC=C(F)C=C1 MC21005 [1,1,0,0,0,0|2,0,0]=4 29 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 MC21065 [1,1,0,0,0,0|0,0,0]=2 30 B13R1.24 O=C(OCCCCl)C1=CC=CC=C1 MC40017 [1,1,0,0,0,0|0,0,0]=2 31 B13R1.718 CC(CN)COCC1=CC=CC=C1 MC103315 [1,1,0,0,0,0|0,0,1]=3 32 B13R1.718 NC(CO)COCC1=CC=CC=C1 CS13312 [1,1,0,0,0,0|1,0,1]=4 33 B13R1.718 OCC(O)COCC1=CC=CC=C1 CS20085 [1,1,0,0,0,0|1,0,1]=4 34 B13R1.718 OCC(O)COCC1=CC=CC=C1 MC436292 [1,1,0,0,0,0|1,0,1]=4 35 B13R1.718 OCC(O)COCC1=CC=CC=C1 MC436293 [1,1,0,0,0,0|1,0,1]=4 36 B13R1.3523 CC(C)(O)CNCC1=CC=CC=C1 MC103302 [1,1,0,0,0,0|1,0,1]=4 37 B13R1.132 CC(C)CC(=O)C1=CC=C(Cl)N=C1 MC112245 [0,1,0,0,1,0|1,0,0]=3 38 B13R1.132 CC(C)OC(=O)C1=CC=C(Cl)N=N1 CS22403 [0,1,0,0,1,0|2,0,0]=4 39 B13R1.132 CC(C)OC(=O)C1=CN=C(N)C=C1 MC431367 [0,1,0,0,1,0|1,0,0]=3 40 B13R1.147 CC(C)CC(=O)C1=CC(Cl)=CC=C1 MC112093 [0,1,0,0,1,0|0,0,0]=2 41 B13R1.147 CC(C)CC(=O)C1=CC(F)=CC=C1 MC112094 [0,1,0,0,1,0|0,0,0]=2 42 B13R1.201 CC(C)OC(=O)C1=C(N)C=CC=C1 CS10027 [0,1,0,0,1,0|0,0,0]=2 43 B13R1.352 O=C(CC(F)(F)F)C1=CC=CC=C1 MC433251 [0,1,0,0,1,0|2,0,0]=4 44 B15R1.3675 CC(C)C(=O)CC(=O)NC1=CC=CC=C1 MC20988 [0,1,0,0,0,1|1,0,1]=4 45 B13R2.371 CC1=NCC(C)C2=CC=CC=C21 MC33409 [1,0,0,1,0,0|2,0,0]=4 46 B13R2.5252 C=C1CCCCC2=C1C=CC=C2 CS17849 [1,0,0,1,0,0|2,0,0]=4 47 B13R2.5252 O=C1CCCCC2=C1C=CC=C2 MC20683 [1,0,0,1,0,0|1,0,0]=3 48 B13R2.5252 O=C1CCCNC2=C1C=CC=C2 CS11086 [1,0,0,1,0,0|2,0,0]=4 49 B13R2.2382 C1=CC=C(COCC2CO2)C=C1 MC20328 [1,0,0,1,0,0|1,0,1]=4 50 B13R2.2382 C1=CC=C(COCC2CO2)C=C1 MC20329 [1,0,0,1,0,0|1,0,1]=4 51 B13R2.2382 C1=CC=C(COCC2CO2)C=C1 MC20949 [1,0,0,1,0,0|1,0,1]=4 52 B13R2.3122 CC1(C)CCSC2=C1C=CC=C2 MC41779 [1,0,0,1,0,0|2,0,0]=4 53 B13R2.328 CC1=NC2=C(C=CC=C2)C(=O)O1 CS21531 [0,0,0,1,1,0|1,0,1]=4 54 B13R2.12159 CC1(C)NC(=O)C2=CC=CC=C21 MC101955 [0,0,0,1,1,0|1,0,0]=3 55 B13R2.12159 CC1(C)OB(O)C2=C1C=CC=C2 MC114985 [0,0,0,1,1,0|1,0,1]=4 56 B13R2.12159 CC1(C)O[IH2](Cl)C2=C1C=CC=C2 MC100311 [0,0,0,1,1,0|2,0,0]=4 57 B15R2.612 O=C1CC(OC(=O)C2=CC=CC=C2)C1 MC113128 [0,0,0,1,0,1|1,0,1]=4 58 B15R2.61763 CC1(C)C(=O)OC(=O)C2=CC=CC=C21 CS16617 [0,1,0,1,0,0|0,0,1]=3 59 B15R2.110139 CC1(C)CC1(Cl)S(=O)c2ccccc2 MC115707 [0,1,0,1,0,0|2,0,0]=4 60 B15R2.467 CC1(C)COC(C2=CC=CC=C2)CN1 MC428236 [0,1,0,1,0,0|1,0,1]=4 61 B11R1.91 CC(=O)COC1=CC=CC=C1 MC433248 [1,0,0,0,1,0|1,0,1]=4 62 B11R1.91 CN(C)CCC1=CC=CC=C1 MC446671 [1,0,0,0,1,0|1,0,1]=4 63 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 MC443670 [0,0,0,0,2,0|1,0,0]=3 64 B11R1.36 CC(C)C(=O)C1=CC=CN=C1 MC429968 [0,0,0,0,2,0|1,0,0]=3