0 B7R0.2 CCC(=O)CC(C)=O CS21124 [1,0,0,0,0,0|2,0,1]=4 1 B7R0.2 COC(=O)CC(C)=O MC41927 [1,0,0,0,0,0|1,1,1]=4 2 B7R0.9 CC(=O)CC(F)(F)F MC418477 [1,0,0,0,0,0|3,0,0]=4 3 B7R0.9 CC(C)(C)CC(=O)O CS22814 [1,0,0,0,0,0|1,0,0]=2 4 B7R0.9 CC(C)(C)OC(N)=O CS11993 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.9 CC(C)(N)CC(=O)O CS14805 [1,0,0,0,0,0|2,0,0]=3 6 B7R0.9 CC(C)(N)CC(=O)O CS17039 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.9 CC(O)CC(C)(C)O MC428277 [1,0,0,0,0,0|0,1,2]=4 8 B7R0.9 CN(C)CC(C)(C)O MC41894 [1,0,0,0,0,0|2,1,0]=4 9 B7R0.9 C[N+](C)(C)CC(=O)O MC34237 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.9 C[N+](C)(C)CC(=O)[O-] MC34236 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.11 COCC(C)(C)CN MC418388 [1,0,0,0,0,0|3,0,0]=4 12 B7R0.11 COCC(C)(C)CN MC431431 [1,0,0,0,0,0|3,0,0]=4 13 B9R0.11 CC(=O)OC(C)(C)C(=O)Cl CS21206 [0,1,0,0,0,0|3,0,0]=4 14 B9R0.11 CC(C)(CC(=O)O)C(=O)O CS19959 [0,1,0,0,0,0|3,0,0]=4 15 B9R0.63 COP(=O)(CC(C)=O)OC CS19713 [0,1,0,0,0,0|2,1,0]=4 16 B9R1.38 CC1(C)CC(=O)OC1=O CS19863 [0,0,0,1,0,0|3,0,0]=4 17 B9R1.66 CC1(C)CC(=O)CCO1 CS17870 [0,0,0,1,0,0|0,1,0]=2 18 B9R1.66 CC1(C)CC(N)CCO1 MC115908 [0,0,0,1,0,0|1,1,1]=4 19 B9R1.66 CC1(C)CCCC(=O)C1 MC10482 [0,0,0,1,0,0|1,0,0]=2 20 B9R1.128 O=C(O)CC1(CS)CC1 MC428350 [0,0,0,1,0,0|3,0,0]=4 21 B7R0.13 CC(C)(CN)C(N)=O CS22038 [0,0,0,0,1,0|3,0,0]=4 22 B7R0.13 CC(C)(CO)C(=O)O CS19743 [0,0,0,0,1,0|3,0,0]=4 23 B7R0.13 CCC(C)(N)C(=O)O CS16944 [0,0,0,0,1,0|3,0,0]=4 24 B7R0.13 CNC(C)(C)C(=O)O MC437895 [0,0,0,0,1,0|2,0,0]=3 25 B6R0.2 CC(Br)CC(=O)O MC106689 [2,0,0,0,0,0|2,0,0]=4 26 B6R0.2 CC(N)CC(=O)O CS19028 [2,0,0,0,0,0|2,0,0]=4 27 B6R0.2 CC(N)CC(=O)O CS20346 [2,0,0,0,0,0|2,0,0]=4 28 B6R0.2 CC(N)CC(=O)O MC439098 [2,0,0,0,0,0|2,0,0]=4 29 B6R0.2 CC(O)CC(=O)O MC426020 [2,0,0,0,0,0|1,1,0]=4 30 B6R0.2 CC(O)CC(=O)O MC426021 [2,0,0,0,0,0|1,1,0]=4 31 B6R0.2 CC(O)CC(=O)[O-] CS20253 [2,0,0,0,0,0|1,1,0]=4 32 B6R0.2 CN(C)CC(=O)O CS13413 [2,0,0,0,0,0|2,0,0]=4 33 B6R0.4 CC(=O)CCCBr CS10305 [2,0,0,0,0,0|2,0,0]=4 34 B6R0.4 CC(=O)CCCCl CS10334 [2,0,0,0,0,0|2,0,0]=4 35 B6R0.4 CCCCC(=O)Cl MC40508 [2,0,0,0,0,0|2,0,0]=4 36 B6R0.5 CC(C)(C)CC=O MC20142 [2,0,0,0,0,0|0,0,0]=2 37 B6R0.5 CC(C)(C)CCO CS21905 [2,0,0,0,0,0|0,0,2]=4 38 B6R0.8 CC(C)(C=O)CO MC21089 [2,0,0,0,0,0|2,0,0]=4 39 B8R0.2 CCC(C)C(N)C(=O)O MC20633 [1,1,0,0,0,0|2,0,0]=4 40 B8R0.2 CCC(C)C(N)C(=O)O MC437790 [1,1,0,0,0,0|2,0,0]=4 41 B8R0.2 CCC(C)C(N)C(=O)O MC437791 [1,1,0,0,0,0|2,0,0]=4 42 B8R0.2 CCC(C)C(N)C(=O)O MC437792 [1,1,0,0,0,0|2,0,0]=4 43 B8R0.2 CCC(C)C(N)C(=O)O MC437793 [1,1,0,0,0,0|2,0,0]=4 44 B8R0.2 CCC(C)C(N)C(=O)O MC437794 [1,1,0,0,0,0|2,0,0]=4 45 B8R0.2 CCC(C)C(N)C(N)=O MC437802 [1,1,0,0,0,0|2,0,0]=4 46 B8R0.2 COC(C)C(N)C(=O)O MC439018 [1,1,0,0,0,0|1,1,0]=4 47 B8R0.23 CC(C)C(C)CC(=O)O MC112320 [1,1,0,0,0,0|2,0,0]=4 48 B8R0.27 CC(C)(C)C(=O)C(=O)O MC418492 [1,1,0,0,0,0|1,0,1]=4 49 B8R0.27 CC(C)(C)C(N)C(=O)O CS18601 [1,1,0,0,0,0|1,0,0]=3 50 B8R0.27 CC(C)(C)C(N)C(=O)O CS18605 [1,1,0,0,0,0|1,0,0]=3 51 B8R0.27 CC(C)(C)C(N)C(=O)O CS18608 [1,1,0,0,0,0|1,0,0]=3 52 B8R0.27 CC(C)(F)C(N)C(=O)O MC429244 [1,1,0,0,0,0|2,0,0]=4 53 B8R0.27 CC(C)(S)C(N)C(=O)O MC438067 [1,1,0,0,0,0|1,0,0]=3 54 B8R0.36 CCC(C)(CC)C(=O)O MC105694 [0,1,0,0,1,0|2,0,0]=4 55 B8R0.36 COC(C)(OC)C(C)=O CS21903 [0,1,0,0,1,0|0,1,0]=3 56 B8R0.37 CC(=O)C(C)(C)C(C)=O MC445207 [0,1,0,0,1,0|1,0,0]=3 57 B10R0.47 COC(=O)CC(C)(C)C(=O)O MC443007 [0,2,0,0,0,0|2,0,0]=4 58 B10R0.141 COC(=O)C(C)(C)CC(=O)O MC441039 [0,2,0,0,0,0|1,1,0]=4 59 B8R1.4 CC1CC(=O)CCN1 MC101989 [1,0,0,1,0,0|1,0,0]=3 60 B8R1.4 CC1CC(=O)CCN1 MC103769 [1,0,0,1,0,0|1,0,0]=3 61 B8R1.4 CC1CC(=O)CCN1 MC444193 [1,0,0,1,0,0|1,0,0]=3 62 B8R1.4 CC1CC(=O)CCO1 MC103799 [1,0,0,1,0,0|0,1,0]=3 63 B8R1.4 CC1CC(=O)CCO1 MC103800 [1,0,0,1,0,0|0,1,0]=3 64 B8R1.4 CC1CC(=O)CCO1 MC31001 [1,0,0,1,0,0|0,1,0]=3 65 B8R1.34 O=C(O)CC1CCC1 CS11177 [1,0,0,1,0,0|2,0,0]=4 66 B8R1.77 CC1(C)CC1C(=O)O CS19841 [1,0,0,1,0,0|1,0,0]=3 67 B8R1.77 CC1(C)CC1C(N)=O MC427500 [1,0,0,1,0,0|1,0,0]=3 68 B8R1.72 CC1(C)CNCCN1 CS18507 [1,0,0,1,0,0|2,0,0]=4 69 B8R1.72 CC1(C)CNCCO1 MC100077 [1,0,0,1,0,0|1,1,0]=4 70 B8R1.72 CC1(C)COCCN1 CS21909 [1,0,0,1,0,0|2,0,0]=4 71 B8R1.78 CC(=O)C1(C)COC1 MC444075 [0,0,0,1,1,0|2,0,0]=4 72 B8R1.78 CC1(C(=O)O)CCC1 MC21173 [0,0,0,1,1,0|2,0,0]=4 73 B10R1.83 CC1(C)C(=O)CC1C(=O)O MC103663 [0,1,0,1,0,0|2,0,0]=4 74 B10R1.83 CC1(C)C(N)CC1C(=O)O MC105078 [0,1,0,1,0,0|2,0,0]=4 75 B10R1.83 CC1(C)C(N)CC1C(=O)O MC105079 [0,1,0,1,0,0|2,0,0]=4 76 B10R1.83 CC1(C)C(N)CC1C(=O)O MC113164 [0,1,0,1,0,0|2,0,0]=4 77 B10R1.120 CC1(C)CC(=O)CCC1O MC110760 [0,1,0,1,0,0|1,0,0]=3 78 B10R1.592 COC(=O)CC1(CBr)CC1 MC106325 [0,1,0,1,0,0|2,0,0]=4 79 B10R1.592 COC(=O)CC1(CO)CC1 MC106327 [0,1,0,1,0,0|2,0,0]=4 80 B10R1.128 CC1(C)CNCC1C(=O)O CS14764 [0,1,0,1,0,0|2,0,0]=4 81 B10R1.128 CC1(C)SCNC1C(=O)O MC438068 [0,1,0,1,0,0|1,0,0]=3 82 B10R1.370 CC1(CC(=O)O)CCCC1 MC116458 [0,1,0,1,0,0|2,0,0]=4 83 B10R2.534 O=C1CCCC2(CC2)N1 CS17693 [0,0,0,2,0,0|2,0,0]=4 84 B6R0.3 CNC(C)C(=O)O MC428068 [1,0,0,0,1,0|2,0,0]=4 85 B6R0.3 CNC(C)C(=O)O MC428076 [1,0,0,0,1,0|2,0,0]=4 86 B6R0.3 CNC(C)C(=O)O MC428084 [1,0,0,0,1,0|2,0,0]=4 87 B6R0.3 COC(C)C(=O)O CS14024 [1,0,0,0,1,0|1,1,0]=4 88 B6R0.3 COC(C)C(=O)O MC425243 [1,0,0,0,1,0|1,1,0]=4 89 B6R0.3 CON(C)C(C)=O CS11789 [1,0,0,0,1,0|1,1,0]=4 90 B6R0.7 CC(=O)C(C)(C)C MC41940 [1,0,0,0,1,0|0,0,0]=2 91 B6R0.7 CC(C)(Br)C(=O)Br MC20867 [1,0,0,0,1,0|2,0,0]=4 92 B6R0.7 CC(C)(Br)C(=O)O CS21332 [1,0,0,0,1,0|2,0,0]=4 93 B6R0.7 CC(C)(C)C(=O)O CS11866 [1,0,0,0,1,0|1,0,0]=3 94 B6R0.7 CC(C)(C)S(N)=O CS13893 [1,0,0,0,1,0|2,0,0]=4 95 B6R0.7 CC(C)(C)S(N)=O CS18738 [1,0,0,0,1,0|2,0,0]=4 96 B6R0.7 CC(C)(C)S(N)=O CS22549 [1,0,0,0,1,0|2,0,0]=4 97 B6R0.7 CC(C)(N)C(=O)O CS15358 [1,0,0,0,1,0|2,0,0]=4 98 B8R0.29 CC(C)(C)NCC(=O)O MC42032 [1,0,0,0,0,1|1,0,0]=3