0 B9R0.5 CCOC(=O)CCCCBr CS13726 [0,0,0,0,0,0|1,0,2]=3 1 B9R0.5 CCOC(=O)CCCCN CS14354 [0,0,0,0,0,0|1,0,2]=3 2 B9R0.5 CCOC(=O)CNCCN MC436180 [0,0,0,0,0,0|2,0,1]=3 3 B9R0.5 CCO\C=C\C(=O)OCC MC20656 [0,0,0,0,0,0|1,0,0]=1 4 B9R0.5 C\C=C\C=C\C(=O)OCC MC446660 [0,0,0,0,0,0|0,0,2]=2 5 B8R0.1 C#CCCC(=O)OCC MC424003 [1,0,0,0,0,0|0,0,3]=4 6 B8R0.1 CCOC(=O)CCCO MC111642 [1,0,0,0,0,0|1,0,1]=3 7 B8R0.1 CCOC(=O)\C=C\C=O CS11394 [1,0,0,0,0,0|1,0,1]=3 8 B8R0.1 CCOC(=O)\C=C\CO MC103341 [1,0,0,0,0,0|1,0,0]=2 9 B8R0.4 CCC\C=C\C=C\CO CS17006 [1,0,0,0,0,0|2,0,0]=3 10 B8R0.6 CCCCNC(=O)CCl CS11766 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.6 CCCSCC(=O)OC MC434048 [1,0,0,0,0,0|1,0,1]=3 12 B8R0.6 C\C=C\C=C\C(=O)OC MC446659 [1,0,0,0,0,0|0,0,2]=3 13 B10R0.1 CCOC(=O)CNCCC#N MC106977 [0,1,0,0,0,0|1,0,2]=4 14 B10R0.2 CCOC(=N)CC(=O)OCC CS19628 [0,1,0,0,0,0|1,0,1]=3 15 B10R0.2 CCOC(=O)CC(=O)COC MC418491 [0,1,0,0,0,0|1,0,1]=3 16 B10R0.2 CCOC(=O)CC(=O)OCC MC445194 [0,1,0,0,0,0|1,0,1]=3 17 B10R0.19 CCCCC(=O)C(=O)OCC CS11379 [0,1,0,0,0,0|0,0,1]=2 18 B10R0.19 CCOC(=O)C(N)CCSC MC437953 [0,1,0,0,0,0|1,0,2]=4 19 B10R0.19 CCOC(=O)C(N)CCSC MC437954 [0,1,0,0,0,0|1,0,2]=4 20 B10R0.19 CCOC(=O)C(N)CCSC MC439231 [0,1,0,0,0,0|1,0,2]=4 21 B10R1.10 CCCC1CCCC(=O)C1 MC106166 [0,0,0,1,0,0|1,0,2]=4 22 B10R1.10 CCOC1=CC(=O)CCC1 MC428210 [0,0,0,1,0,0|2,0,0]=3 23 B10R1.11 CCNC(=O)C1CCCN1 MC438120 [0,0,0,1,0,0|2,0,1]=4 24 B10R1.11 CCNC(=O)C1CCCN1 MC438121 [0,0,0,1,0,0|2,0,1]=4 25 B10R1.11 CCOC(=O)C1=CC=CN1 CS10538 [0,0,0,1,0,0|1,0,2]=4 26 B10R1.11 CCOC(=O)C1=CC=CO1 MC10319 [0,0,0,1,0,0|1,0,2]=4 27 B10R1.11 CCOC(=O)C1=CC=CS1 CS14077 [0,0,0,1,0,0|1,0,2]=4 28 B10R1.11 CCOC(=O)C1=CN=CO1 CS17742 [0,0,0,1,0,0|2,0,1]=4 29 B10R1.11 CCOC(=O)C1=CN=CS1 CS11320 [0,0,0,1,0,0|2,0,1]=4 30 B10R1.11 CCOC(=O)C1=CN=NS1 MC105773 [0,0,0,1,0,0|3,0,0]=4 31 B10R1.11 CCOC(=O)C1=CNC=C1 MC115913 [0,0,0,1,0,0|1,0,2]=4 32 B10R1.11 CCOC(=O)C1=CNC=N1 CS18895 [0,0,0,1,0,0|2,0,1]=4 33 B10R1.11 CCOC(=O)C1=CNN=C1 CS10111 [0,0,0,1,0,0|2,0,1]=4 34 B10R1.11 CCOC(=O)C1=CNN=N1 CS20694 [0,0,0,1,0,0|3,0,0]=4 35 B10R1.11 CCOC(=O)C1=COC=N1 CS18179 [0,0,0,1,0,0|2,0,1]=4 36 B10R1.11 CCOC(=O)C1=CSC=C1 CS10526 [0,0,0,1,0,0|1,0,2]=4 37 B10R1.11 CCOC(=O)C1=NNC=C1 CS20723 [0,0,0,1,0,0|2,0,1]=4 38 B10R1.11 CCOC(=O)C1CCNC1 CS13485 [0,0,0,1,0,0|1,0,2]=4 39 B10R1.11 CCOC(=O)C1CCOC1 MC106751 [0,0,0,1,0,0|1,0,2]=4 40 B10R1.135 CCOC(=O)C1CC1CBr MC116546 [0,0,0,1,0,0|1,0,2]=4 41 B10R1.135 CCOC(=O)C1CC1CN MC113380 [0,0,0,1,0,0|1,0,2]=4 42 B10R1.135 CCOC(=O)C1CC1CO MC113389 [0,0,0,1,0,0|1,0,2]=4 43 B10R1.137 CCOC(=O)C=C1COC1 MC425331 [0,0,0,1,0,0|1,0,0]=2 44 B10R1.137 CCOC(=O)CC1COC1 MC425339 [0,0,0,1,0,0|1,0,2]=4 45 B7R0.3 COC(=O)CCCBr MC427387 [2,0,0,0,0,0|1,0,1]=4 46 B7R0.3 COC(=O)CCCN MC439309 [2,0,0,0,0,0|1,0,1]=4 47 B7R0.3 COC(=O)\C=C\CBr CS13509 [2,0,0,0,0,0|1,0,0]=3 48 B7R0.3 CO\C=C\C(=O)OC CS11630 [2,0,0,0,0,0|1,0,0]=3 49 B7R0.7 CC#CC(=O)OCC CS10117 [2,0,0,0,0,0|0,0,2]=4 50 B7R0.7 CCOC(=O)CC#N MC41911 [2,0,0,0,0,0|1,0,1]=4 51 B7R0.7 CCOC(=O)CCN CS14330 [2,0,0,0,0,0|1,0,0]=3 52 B7R0.7 CCOC(=O)CNC CS17068 [2,0,0,0,0,0|1,0,0]=3 53 B7R0.7 CCOC(=O)CNN CS19987 [2,0,0,0,0,0|2,0,0]=4 54 B7R0.7 CCOC(=O)COC CS11389 [2,0,0,0,0,0|1,0,0]=3 55 B7R0.4 CCCOCC(=O)O MC425744 [2,0,0,0,0,0|1,0,1]=4 56 B7R0.4 CCC\C=C\C(C)=O MC20875 [2,0,0,0,0,0|0,0,0]=2 57 B7R0.4 CCO\C=C\C(=O)Cl MC425808 [2,0,0,0,0,0|2,0,0]=4 58 B7R0.4 CCO\C=C\C(=O)Cl MC427603 [2,0,0,0,0,0|2,0,0]=4 59 B7R0.4 CCO\C=C\C(=O)O CS22271 [2,0,0,0,0,0|1,0,0]=3 60 B9R0.34 CCOC(=O)CC(=O)CBr CS13599 [1,1,0,0,0,0|1,0,1]=4 61 B9R0.34 CCOC(=O)CC(=O)CC CS11391 [1,1,0,0,0,0|0,0,1]=3 62 B9R0.34 CCOC(=O)CC(=O)CN MC116410 [1,1,0,0,0,0|1,0,1]=4 63 B9R0.34 CCOC(=O)CC(=O)NC MC106824 [1,1,0,0,0,0|1,0,1]=4 64 B9R0.35 CCCC(=O)C(=O)OCC CS14582 [1,1,0,0,0,0|0,0,0]=2 65 B9R0.35 CCCC(N)C(=O)OCC MC439184 [1,1,0,0,0,0|0,0,1]=3 66 B9R0.35 CCOC(=N)C(=O)OCC CS13440 [1,1,0,0,0,0|1,0,0]=3 67 B9R0.35 CCOC(=O)C(=O)OCC MC41888 [1,1,0,0,0,0|1,0,0]=3 68 B9R0.1 COC(=O)\C=C\CN(C)C MC107341 [1,1,0,0,0,0|1,0,0]=3 69 B9R0.47 CCCCOC(=O)C(C)N CS15628 [1,1,0,0,0,0|1,0,1]=4 70 B11R0.4 CCCCCCCC(=O)OCC CS14101 [0,2,0,0,0,0|0,0,2]=4 71 B11R0.4 CCOC(=O)CCCCCCN CS14103 [0,2,0,0,0,0|0,0,2]=4 72 B11R0.62 CCOC(=O)C#CC(=O)OCC CS15872 [0,2,0,0,0,0|1,0,1]=4 73 B11R0.155 CCOC(=O)C(N)CCCCN MC437850 [0,2,0,0,0,0|0,0,2]=4 74 B11R0.1 CCOC(=O)\C=C(/C)NC(C)=O CS11384 [0,2,0,0,0,0|1,0,1]=4 75 B11R0.1 CCOC(=O)\C=C(/C)NC(C)=O CS16452 [0,2,0,0,0,0|1,0,1]=4 76 B11R0.177 CCOC(=O)C(=O)C(=O)OCC MC33168 [0,2,0,0,0,0|1,0,0]=3 77 B11R0.177 CCOC(=O)C(Br)C(=O)OCC CS19985 [0,2,0,0,0,0|1,0,1]=4 78 B11R0.177 CCOC(=O)C(F)C(=O)OCC CS20048 [0,2,0,0,0,0|1,0,1]=4 79 B11R0.177 CCOC(=O)C(N)C(=O)OCC CS22139 [0,2,0,0,0,0|1,0,1]=4 80 B11R0.140 CCCCOC(=O)OCCCC MC428324 [0,2,0,0,0,0|1,0,1]=4 81 B9R1.50 O=C1CCCCCCN1 CS21316 [1,0,0,1,0,0|1,0,1]=4 82 B9R1.73 CCOC(=O)C1CCC1 MC41840 [1,0,0,1,0,0|0,0,1]=3 83 B9R1.73 CCOC(=O)C1CNC1 CS11347 [1,0,0,1,0,0|1,0,1]=4 84 B9R1.183 CCOC(=O)C1CC1Br MC430633 [1,0,0,1,0,0|1,0,1]=4 85 B9R1.183 CCOC(=O)C1CC1F MC425315 [1,0,0,1,0,0|1,0,1]=4 86 B9R1.11 COC(=O)C1=CCCC1 CS18911 [1,0,0,1,0,0|0,0,0]=2 87 B9R1.11 COC(=O)C1CCCN1 CS11440 [1,0,0,1,0,0|1,0,1]=4 88 B9R1.11 COC(=O)C1CCCN1 CS18447 [1,0,0,1,0,0|1,0,1]=4 89 B9R1.11 COC(=O)C1CCCN1 MC438131 [1,0,0,1,0,0|1,0,1]=4 90 B9R1.79 COC(=O)C=C1COC1 MC444517 [1,0,0,1,0,0|1,0,0]=3 91 B11R1.16 CCOC(=O)C1CCCCN1 CS20536 [0,1,0,1,0,0|0,0,2]=4 92 B11R1.16 CCOC(=O)C1CCCNC1 CS11745 [0,1,0,1,0,0|0,0,2]=4 93 B11R1.16 CCOC(=O)C1CCCNC1 CS14862 [0,1,0,1,0,0|0,0,2]=4 94 B11R1.16 CCOC(=O)C1CCCNC1 CS14866 [0,1,0,1,0,0|0,0,2]=4 95 B11R1.16 CCOC(=O)C1CCCNC1 CS16095 [0,1,0,1,0,0|0,0,2]=4 96 B11R1.16 CCOC(=O)C1CCCNC1 CS20534 [0,1,0,1,0,0|0,0,2]=4 97 B11R1.16 CCOC(=O)C1CCNCC1 CS20538 [0,1,0,1,0,0|0,0,2]=4 98 B11R1.16 CCOC(=O)C1CNCCN1 CS15901 [0,1,0,1,0,0|1,0,1]=4 99 B11R1.16 CCOC(=O)C1CNCCO1 MC100212 [0,1,0,1,0,0|1,0,1]=4 100 B11R1.16 CCOC(=O)N1CCNCC1 CS19631 [0,1,0,1,0,0|1,0,1]=4 101 B11R1.30 CCOC(=O)CC1CCCO1 MC20752 [0,1,0,1,0,0|0,0,2]=4 102 B11R1.199 CCOC(=O)C1=C(C)C=CN1 CS12952 [0,1,0,1,0,0|0,0,2]=4 103 B11R1.199 CCOC(=O)C1=C(C)N=CO1 CS18854 [0,1,0,1,0,0|1,0,1]=4 104 B11R1.199 CCOC(=O)C1=C(C)NC=C1 CS21661 [0,1,0,1,0,0|0,0,2]=4 105 B11R1.199 CCOC(=O)C1=C(C)NC=N1 CS14683 [0,1,0,1,0,0|1,0,1]=4 106 B11R1.199 CCOC(=O)C1=C(C)SC=C1 CS14520 [0,1,0,1,0,0|0,0,2]=4 107 B11R1.199 CCOC(=O)C1=C(C)SC=N1 MC20937 [0,1,0,1,0,0|1,0,1]=4 108 B11R1.199 CCOC(=O)C1=CON=C1C CS18140 [0,1,0,1,0,0|1,0,1]=4 109 B11R1.199 CCOC(=O)C1=NC=CN1C CS11324 [0,1,0,1,0,0|1,0,1]=4 110 B11R1.199 CCOC(=O)C1CCCC1=O CS20511 [0,1,0,1,0,0|0,0,1]=3 111 B11R1.199 CCOC(=O)C1CNCC1=O CS16905 [0,1,0,1,0,0|1,0,1]=4 112 B11R1.199 CCOC(=O)C1NCCC1O MC103072 [0,1,0,1,0,0|1,0,1]=4 113 B11R1.201 CCOC(=O)CC1CC(O)C1 MC102144 [0,1,0,1,0,0|0,0,2]=4 114 B11R1.201 CCOC(=O)CC1CC(O)C1 MC104869 [0,1,0,1,0,0|0,0,2]=4 115 B11R1.201 CCOC(=O)CC1CC(O)C1 MC104870 [0,1,0,1,0,0|0,0,2]=4 116 B11R1.334 CCOC(=O)CC(=O)C1CC1 CS10562 [0,1,0,1,0,0|0,0,1]=3 117 B11R1.15 CCOC(=O)C1=CC=C(C)N1 CS10437 [0,1,0,1,0,0|0,0,2]=4 118 B11R1.15 CCOC(=O)C1=CSC(C)=N1 CS20415 [0,1,0,1,0,0|1,0,1]=4 119 B11R1.15 CCOC(=O)C1=NN(C)C=C1 CS15596 [0,1,0,1,0,0|1,0,1]=4 120 B11R2.10 O=C1C=C2CNCCC2S1 CS12560 [0,0,0,2,0,0|1,1,0]=4 121 B11R2.10 O=C1C=C2CNCCC2S1 MC110930 [0,0,0,2,0,0|1,1,0]=4