0 B8R0.1 C#CCCC(=O)OCC MC424003 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.1 CCCC(C)CCCO MC112367 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.1 CCOC(=O)CCCO MC111642 [0,0,0,0,0,0|3,0,0]=3 3 B8R0.1 CCOC(=O)\C=C\CO MC103341 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.1 COCCOCCN MC431493 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.3 C=CCOC(=O)CCl MC428296 [1,0,0,0,0,0|1,0,2]=4 6 B7R0.3 COC(=O)CCCBr MC427387 [1,0,0,0,0,0|3,0,0]=4 7 B7R0.3 COC(=O)CCCN MC439309 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.7 CC#CC(=O)OCC CS10117 [1,0,0,0,0,0|0,0,2]=3 9 B7R0.7 CCCC(N)CCO CS16692 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.7 CCOC(=O)CC#N MC41911 [1,0,0,0,0,0|1,0,1]=3 11 B7R0.7 CCOC(=O)CCN CS14330 [1,0,0,0,0,0|1,0,0]=2 12 B7R0.7 CCOC(=O)CNC CS17068 [1,0,0,0,0,0|1,0,0]=2 13 B7R0.7 CCOC(=O)CNN CS19987 [1,0,0,0,0,0|2,0,0]=3 14 B7R0.7 CCOC(=O)COC CS11389 [1,0,0,0,0,0|1,0,0]=2 15 B7R0.7 O=C(CCCl)CCCl CS19912 [1,0,0,0,0,0|2,0,0]=3 16 B9R0.4 CC(C)NC(=O)NCCN MC112535 [0,1,0,0,0,0|3,0,0]=4 17 B9R0.5 CCOC(=O)CCCCBr CS13726 [0,1,0,0,0,0|2,0,0]=3 18 B9R0.5 CCOC(=O)CCCCN CS14354 [0,1,0,0,0,0|2,0,0]=3 19 B9R0.5 CCOC(=O)CNCCN MC436180 [0,1,0,0,0,0|3,0,0]=4 20 B9R0.5 CCO\C=C\C(=O)OCC MC20656 [0,1,0,0,0,0|2,0,1]=4 21 B9R0.18 CCCCC(N)CCCC MC428161 [0,1,0,0,0,0|2,0,1]=4 22 B9R0.18 O=C(CCCCl)CCCCl CS14305 [0,1,0,0,0,0|2,0,0]=3 23 B9R0.34 CCOC(=O)CC(=O)CC CS11391 [0,1,0,0,0,0|2,0,1]=4 24 B9R0.35 CCCC(=O)C(=O)OCC CS14582 [0,1,0,0,0,0|2,0,0]=3 25 B9R0.35 CCCC(N)C(=O)OCC MC439184 [0,1,0,0,0,0|2,0,0]=3 26 B9R0.35 CCOC(=N)C(=O)OCC CS13440 [0,1,0,0,0,0|3,0,0]=4 27 B9R0.35 CCOC(=O)C(=O)OCC MC41888 [0,1,0,0,0,0|3,0,0]=4 28 B9R1.2 NCC1CCNC(=O)C1 MC101902 [0,0,0,1,0,0|3,0,0]=4 29 B9R1.2 NCC1CCNC(=O)C1 MC102333 [0,0,0,1,0,0|3,0,0]=4 30 B9R1.2 O=C1CC(CO)CCN1 MC444199 [0,0,0,1,0,0|3,0,0]=4 31 B9R1.2 O=C1COCC(CO)N1 CS17255 [0,0,0,1,0,0|3,0,0]=4 32 B9R1.15 CCC1CNCCC1=O CS17950 [0,0,0,1,0,0|2,0,0]=3 33 B9R1.15 COC1CCCNC1=O CS12712 [0,0,0,1,0,0|2,0,0]=3 34 B9R1.15 N#CC1CCCCC1=O MC33325 [0,0,0,1,0,0|2,0,1]=4 35 B9R1.33 COCC1CCCC1=O MC106167 [0,0,0,1,0,0|2,0,0]=3 36 B9R1.33 O=C1CCCN1CCBr MC431361 [0,0,0,1,0,0|2,0,0]=3 37 B9R1.48 O=C1CCCCC(=O)C1 CS20375 [0,0,0,1,0,0|2,0,1]=4 38 B9R1.48 O=C1CCCNC(=O)C1 MC428135 [0,0,0,1,0,0|2,0,1]=4 39 B9R1.49 CN1CCCC(=O)CC1 CS13899 [0,0,0,1,0,0|2,0,0]=3 40 B9R1.50 O=C1CCCCCCN1 CS21316 [0,0,0,1,0,0|1,0,0]=2 41 B9R1.69 CC1CNC(=O)CC1=O CS12978 [0,0,0,1,0,0|2,0,1]=4 42 B9R1.73 CCOC(=O)C1CCC1 MC41840 [0,0,0,1,0,0|2,0,0]=3 43 B9R1.73 CCOC(=O)C1CNC1 CS11347 [0,0,0,1,0,0|3,0,0]=4 44 B9R1.183 CCOC(=O)C1CC1Br MC430633 [0,0,0,1,0,0|3,0,0]=4 45 B9R1.183 CCOC(=O)C1CC1F MC425315 [0,0,0,1,0,0|3,0,0]=4 46 B6R0.6 CCCOCCCl MC428009 [2,0,0,0,0,0|1,0,0]=3 47 B6R0.6 ClCCOCCCl MC41873 [2,0,0,0,0,0|2,0,0]=4 48 B6R0.6 OCCOCCO MC41893 [2,0,0,0,0,0|2,0,0]=4 49 B6R0.6 SCCOCCS MC112783 [2,0,0,0,0,0|2,0,0]=4 50 B6R0.1 C#CC(=O)OCC MC434052 [2,0,0,0,0,0|0,0,2]=4 51 B6R0.1 CCCC(=O)NN CS22544 [2,0,0,0,0,0|2,0,0]=4 52 B6R0.1 CCNC(=O)NC MC428152 [2,0,0,0,0,0|2,0,0]=4 53 B6R0.1 CCOC(=O)CBr MC41907 [2,0,0,0,0,0|1,0,0]=3 54 B6R0.1 CCOC(=O)CCl MC41910 [2,0,0,0,0,0|1,0,0]=3 55 B6R0.1 CCOC(=O)CN CS15347 [2,0,0,0,0,0|1,0,0]=3 56 B6R0.1 CCOC(=O)CO CS11386 [2,0,0,0,0,0|1,0,0]=3 57 B6R0.1 CCOC(=O)NN CS11383 [2,0,0,0,0,0|2,0,0]=4 58 B6R0.1 CNC(=O)CCN MC112263 [2,0,0,0,0,0|2,0,0]=4 59 B6R0.1 CNCC(=O)OC MC438154 [2,0,0,0,0,0|1,0,0]=3 60 B6R0.1 COC(=O)CC#N MC428339 [2,0,0,0,0,0|1,0,1]=4 61 B6R0.1 COC(=O)CCBr CS18993 [2,0,0,0,0,0|1,0,0]=3 62 B6R0.1 COC(=O)CCN CS22266 [2,0,0,0,0,0|1,0,0]=3 63 B6R0.1 C\C=C\C(=O)OC MC41953 [2,0,0,0,0,0|0,0,2]=4 64 B6R0.4 CC(=O)CCCBr CS10305 [2,0,0,0,0,0|2,0,0]=4 65 B6R0.4 CC(=O)CCCCl CS10334 [2,0,0,0,0,0|2,0,0]=4 66 B6R0.4 CC(=O)NCCCl MC33011 [2,0,0,0,0,0|2,0,0]=4 67 B6R0.4 CCCCC(=O)Cl MC40508 [2,0,0,0,0,0|2,0,0]=4 68 B8R0.4 CCCCCOCCO MC437002 [1,1,0,0,0,0|1,0,1]=4 69 B8R0.4 CCCCNCCCC CS11229 [1,1,0,0,0,0|1,0,1]=4 70 B8R0.4 COCCOCCOC MC41925 [1,1,0,0,0,0|1,0,1]=4 71 B8R0.3 CCCC(N)C(=O)OC MC438026 [1,1,0,0,0,0|2,0,0]=4 72 B8R0.3 CCOC(=O)C(=O)CC CS13439 [1,1,0,0,0,0|2,0,0]=4 73 B8R0.9 C=CC(=O)OCC(C)O CS21600 [1,1,0,0,0,0|0,0,2]=4 74 B8R0.19 CCC(=O)CC(=O)CC CS22007 [1,1,0,0,0,0|1,0,1]=4 75 B8R0.5 CC(C)OC(=O)OCCl CS19003 [1,1,0,0,0,0|2,0,0]=4 76 B8R0.5 CCOC(=O)C=C(C)C CS11345 [1,1,0,0,0,0|0,0,2]=4 77 B8R0.5 CCOC(=O)CC(=N)N MC41916 [1,1,0,0,0,0|1,0,1]=4 78 B8R0.5 CCOC(=O)CC(=O)Cl MC20855 [1,1,0,0,0,0|1,0,1]=4 79 B8R0.5 CCOC(=O)CC(C)=O MC41905 [1,1,0,0,0,0|0,0,1]=3 80 B8R0.5 CCOC(=O)CC(C)O CS11353 [1,1,0,0,0,0|0,0,0]=2 81 B8R0.5 CCOC(=O)CC(C)O CS18545 [1,1,0,0,0,0|0,0,0]=2 82 B8R0.5 CCOC(=O)CC(N)=O CS18301 [1,1,0,0,0,0|1,0,1]=4 83 B8R0.5 CCOC(=O)C[N+](=O)[O-] CS22612 [1,1,0,0,0,0|2,0,0]=4 84 B8R0.5 CCOC(=O)OC(C)Cl CS20668 [1,1,0,0,0,0|1,0,0]=3 85 B8R0.5 CCOC(=O)\C=C(/C)N CS15795 [1,1,0,0,0,0|0,0,2]=4 86 B10R0.6 CC(C)NC(=O)NCCCN MC112536 [0,2,0,0,0,0|2,0,0]=4 87 B10R0.32 CCOC(=O)C(=O)CC(C)C CS15204 [0,2,0,0,0,0|2,0,0]=4 88 B10R0.32 CCOC(=O)C(N)CC(C)C CS14067 [0,2,0,0,0,0|2,0,0]=4 89 B10R0.32 CCOC(=O)C(N)CC(C)C MC439260 [0,2,0,0,0,0|2,0,0]=4 90 B10R0.81 C=CCOC(=O)C(N)C(C)C MC435280 [0,2,0,0,0,0|0,0,2]=4 91 B10R0.19 CCCCC(=O)C(=O)OCC CS11379 [0,2,0,0,0,0|1,0,1]=4 92 B10R0.19 CCOC(=O)C(N)CCSC MC437953 [0,2,0,0,0,0|2,0,0]=4 93 B10R0.19 CCOC(=O)C(N)CCSC MC437954 [0,2,0,0,0,0|2,0,0]=4 94 B10R0.19 CCOC(=O)C(N)CCSC MC439231 [0,2,0,0,0,0|2,0,0]=4 95 B10R0.156 CCCS(=O)(=O)CCCCN MC116556 [0,2,0,0,0,0|2,0,0]=4 96 B10R0.16 CCCCN(C=O)CCCC MC33010 [0,2,0,0,0,0|2,0,0]=4 97 B10R0.109 CCOC(=O)CCC(C)(C)N MC112460 [0,2,0,0,0,0|2,0,0]=4 98 B8R1.2 BrCC1CCCOC1 MC102393 [1,0,0,1,0,0|1,0,1]=4 99 B8R1.2 CCC1CNCCO1 MC444035 [1,0,0,1,0,0|1,0,1]=4 100 B8R1.2 CCC1CNCCO1 MC444058 [1,0,0,1,0,0|1,0,1]=4 101 B8R1.2 CCC1CNCCO1 MC444187 [1,0,0,1,0,0|1,0,1]=4 102 B8R1.2 CCC1COCCN1 MC20812 [1,0,0,1,0,0|1,0,1]=4 103 B8R1.2 CCC1COCCN1 MC444040 [1,0,0,1,0,0|1,0,1]=4 104 B8R1.2 CCC1COCCN1 MC444061 [1,0,0,1,0,0|1,0,1]=4 105 B8R1.2 CCC1COCCN1 MC444269 [1,0,0,1,0,0|1,0,1]=4 106 B8R1.2 NCC1CCCOC1 CS18439 [1,0,0,1,0,0|1,0,1]=4 107 B8R1.2 NCC1CCCOC1 MC105501 [1,0,0,1,0,0|1,0,1]=4 108 B8R1.2 NCC1CCCOC1 MC105502 [1,0,0,1,0,0|1,0,1]=4 109 B8R1.2 OCC1CCC=CO1 MC20505 [1,0,0,1,0,0|1,0,1]=4 110 B8R1.2 OCC1CCCOC1 MC31058 [1,0,0,1,0,0|1,0,1]=4 111 B8R1.5 CC1COCCC1N MC100869 [1,0,0,1,0,0|1,0,1]=4 112 B8R1.5 CC1COCCC1N MC104730 [1,0,0,1,0,0|1,0,1]=4 113 B8R1.10 OCCOC1CCC1 MC121362 [1,0,0,1,0,0|1,0,1]=4 114 B8R1.49 C1=CCCCCCC1 MC445004 [1,0,0,1,0,0|1,0,0]=3 115 B8R1.1 NCC1CNC(=O)O1 MC103408 [1,0,0,1,0,0|2,0,0]=4 116 B8R1.1 O=C1CCC(CO)N1 CS13834 [1,0,0,1,0,0|2,0,0]=4 117 B8R1.1 O=C1CCC(CO)N1 CS15562 [1,0,0,1,0,0|2,0,0]=4 118 B8R1.3 C=C1CCC(C)CC1 MC105701 [1,0,0,1,0,0|2,0,0]=4 119 B8R1.3 CN1CCC(=O)CC1 CS18410 [1,0,0,1,0,0|2,0,0]=4 120 B8R1.3 NC1CCC(=O)CC1 CS22583 [1,0,0,1,0,0|2,0,0]=4 121 B8R1.3 NC1CCC(=O)NC1 MC113024 [1,0,0,1,0,0|2,0,0]=4 122 B8R1.3 NC1CCC(=O)NC1 MC444382 [1,0,0,1,0,0|2,0,0]=4 123 B8R1.3 O=C1CCC(O)CC1 CS22889 [1,0,0,1,0,0|2,0,0]=4 124 B8R1.50 O=C1OCC(O)C1Br MC113108 [1,0,0,1,0,0|2,0,0]=4 125 B8R1.4 CC1CC(=O)CCN1 MC101989 [1,0,0,1,0,0|1,0,0]=3 126 B8R1.4 CC1CC(=O)CCN1 MC103769 [1,0,0,1,0,0|1,0,0]=3 127 B8R1.4 CC1CC(=O)CCN1 MC444193 [1,0,0,1,0,0|1,0,0]=3 128 B8R1.4 CC1CC(=O)CCO1 MC103799 [1,0,0,1,0,0|1,0,0]=3 129 B8R1.4 CC1CC(=O)CCO1 MC103800 [1,0,0,1,0,0|1,0,0]=3 130 B8R1.4 CC1CC(=O)CCO1 MC31001 [1,0,0,1,0,0|1,0,0]=3 131 B8R1.4 CC1CNCC(=O)N1 MC103795 [1,0,0,1,0,0|2,0,0]=4 132 B8R1.4 CC1CNCC(=O)N1 MC104244 [1,0,0,1,0,0|2,0,0]=4 133 B8R1.4 CC1CNCC(=O)N1 MC444027 [1,0,0,1,0,0|2,0,0]=4 134 B8R1.4 CN1CCNC(=O)C1 CS13438 [1,0,0,1,0,0|2,0,0]=4 135 B8R1.4 CN1CCOC(=O)C1 CS17566 [1,0,0,1,0,0|1,0,0]=3 136 B8R1.4 NC1CCNC(=O)C1 CS15459 [1,0,0,1,0,0|2,0,0]=4 137 B8R1.4 NC1CCNC(=O)C1 MC444313 [1,0,0,1,0,0|2,0,0]=4 138 B8R1.4 O=C1CCCC(=O)C1 CS19094 [1,0,0,1,0,0|1,0,1]=4 139 B8R1.4 O=C1CCCC(=O)O1 CS11243 [1,0,0,1,0,0|1,0,1]=4 140 B8R1.18 CC1CC(=O)OC1=O MC440511 [1,0,0,1,0,0|1,0,1]=4 141 B8R1.37 N#CCC(=O)C1CC1 MC20950 [1,0,0,1,0,0|1,0,1]=4 142 B10R1.61 CC(=O)C1CCCCC1=O CS21211 [0,1,0,1,0,0|1,0,1]=4 143 B10R1.120 CC1(C)CC(=O)CCC1O MC110760 [0,1,0,1,0,0|2,0,0]=4 144 B10R1.10 CCCC1CCCC(=O)C1 MC106166 [0,1,0,1,0,0|1,0,0]=3 145 B10R1.10 CCOC1=CC(=O)CCC1 MC428210 [0,1,0,1,0,0|1,0,1]=4 146 B10R1.10 COCC1CCCC(=O)C1 MC106177 [0,1,0,1,0,0|1,0,0]=3 147 B10R1.11 CCNC(=O)C1CCCN1 MC438120 [0,1,0,1,0,0|2,0,0]=4 148 B10R1.11 CCNC(=O)C1CCCN1 MC438121 [0,1,0,1,0,0|2,0,0]=4 149 B10R1.11 CCOC(=O)C1CCNC1 CS13485 [0,1,0,1,0,0|2,0,0]=4 150 B10R1.11 CCOC(=O)C1CCOC1 MC106751 [0,1,0,1,0,0|2,0,0]=4 151 B10R1.29 N#CCCC1CCCC1=O MC106173 [0,1,0,1,0,0|1,0,1]=4 152 B10R1.79 O=C1CCCC(=O)CCC1 MC102212 [0,1,0,1,0,0|1,0,1]=4 153 B10R1.135 CCOC(=O)C1CC1CBr MC116546 [0,1,0,1,0,0|2,0,0]=4 154 B10R1.135 CCOC(=O)C1CC1CN MC113380 [0,1,0,1,0,0|2,0,0]=4 155 B10R1.135 CCOC(=O)C1CC1CO MC113389 [0,1,0,1,0,0|2,0,0]=4 156 B10R1.137 CCOC(=O)CC1COC1 MC425339 [0,1,0,1,0,0|2,0,0]=4 157 B10R1.4 CCCC1=CCCCC1=O MC106174 [0,1,0,1,0,0|1,0,0]=3 158 B10R1.4 O=C1COCCN1CCO MC110622 [0,1,0,1,0,0|2,0,0]=4 159 B10R1.140 CCOC(=O)C1CC(O)C1 MC103673 [0,1,0,1,0,0|2,0,0]=4 160 B10R1.140 CCOC(=O)C1CC(O)C1 MC425137 [0,1,0,1,0,0|2,0,0]=4 161 B10R1.212 CCOC(=O)C(Br)C1CC1 MC429049 [0,1,0,1,0,0|2,0,0]=4 162 B10R2.62 O=C1CN2CCC1CC2 CS19608 [0,0,0,2,0,0|2,0,0]=4 163 B10R2.62 O=C1NC2CCC1CC2 MC444164 [0,0,0,2,0,0|1,0,0]=3 164 B10R2.71 O=C1CC2CCC(C1)N2 CS18910 [0,0,0,2,0,0|2,0,0]=4 165 B10R2.534 O=C1CCCC2(CC2)N1 CS17693 [0,0,0,2,0,0|1,0,0]=3 166 B10R2.32 O=C1NCC2CCNC12 MC103732 [0,0,0,2,0,0|2,0,0]=4 167 B10R2.178 O=C1CCC2CCC1N2 MC105539 [0,0,0,2,0,0|2,0,0]=4 168 B10R2.178 O=C1NCC2CCC1N2 MC105362 [0,0,0,2,0,0|2,0,0]=4 169 B10R2.15 O=C1CNCCC12CC2 MC104891 [0,0,0,2,0,0|2,0,0]=4 170 B10R2.41 O=C1C2CCC1CNC2 MC102102 [0,0,0,2,0,0|2,0,0]=4