0 B7R0.7 CC#CC(=O)OCC CS10117 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.7 CCCC(N)CCO CS16692 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.7 CCOC(=O)CCN CS14330 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.7 CCOC(=O)CNC CS17068 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.7 CCOC(=O)COC CS11389 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.1 CCC(C)CCBr MC112369 [1,0,0,0,0,0|2,0,0]=3 6 B6R0.1 CCCC(C)CBr MC112368 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.1 CCCC(O)CO CS20495 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.1 CCOC(=O)CBr MC41907 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.1 CCOC(=O)CCl MC41910 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.1 CCOC(=O)CN CS15347 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.1 CCOC(=O)CO CS11386 [1,0,0,0,0,0|2,0,1]=4 12 B8R0.1 CCCC(C)CCCO MC112367 [0,1,0,0,0,0|2,0,0]=3 13 B8R0.1 CCOC(=O)CCCO MC111642 [0,1,0,0,0,0|2,0,1]=4 14 B8R0.3 CCOC(=O)C(=O)CC CS13439 [0,1,0,0,0,0|2,0,1]=4 15 B8R0.5 CC(C)OC(=O)OCCl CS19003 [0,1,0,0,0,0|2,0,1]=4 16 B8R0.5 CCOC(=O)CC(C)O CS11353 [0,1,0,0,0,0|2,0,1]=4 17 B8R0.5 CCOC(=O)CC(C)O CS18545 [0,1,0,0,0,0|2,0,1]=4 18 B8R0.5 CCOC(=O)OC(C)Cl CS20668 [0,1,0,0,0,0|1,0,1]=3 19 B8R0.22 C#CC(OCC)OCC CS11884 [0,1,0,0,0,0|0,0,1]=2 20 B8R0.22 CCOC(CBr)OCC MC20525 [0,1,0,0,0,0|0,0,0]=1 21 B8R0.22 CCOC(CCl)OCC MC428003 [0,1,0,0,0,0|0,0,0]=1 22 B8R0.22 CCOC(CN)OCC MC428006 [0,1,0,0,0,0|0,0,0]=1 23 B8R0.22 CCOC(CO)OCC CS19208 [0,1,0,0,0,0|0,0,0]=1 24 B8R1.4 CC1CC(=O)CCO1 MC103799 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.4 CC1CC(=O)CCO1 MC103800 [0,0,0,1,0,0|2,0,1]=4 26 B8R1.4 CC1CC(=O)CCO1 MC31001 [0,0,0,1,0,0|2,0,1]=4 27 B8R1.4 CC1CC(O)CCN1 MC102122 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.4 CC1CC(O)CCN1 MC102123 [0,0,0,1,0,0|3,0,0]=4 29 B8R1.4 CC1CC(O)CCN1 MC102289 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.4 CC1CC(O)CCO1 MC31218 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.4 CC1CCNC(C)C1 CS21125 [0,0,0,1,0,0|2,0,0]=3 32 B8R1.4 CC1CN(C)CCN1 MC102815 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.4 CC1CNCC(C)C1 CS14191 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.4 CC1CNCC(C)N1 CS18625 [0,0,0,1,0,0|3,0,0]=4 35 B8R1.4 CC1CNCC(C)N1 CS21187 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.4 CC1CNCC(C)N1 MC103637 [0,0,0,1,0,0|3,0,0]=4 37 B8R1.4 CC1CNCC(C)N1 MC104476 [0,0,0,1,0,0|3,0,0]=4 38 B8R1.4 CC1CNCC(C)N1 MC444588 [0,0,0,1,0,0|3,0,0]=4 39 B8R1.4 CC1CNCC(C)O1 MC121304 [0,0,0,1,0,0|2,0,0]=3 40 B8R1.4 CC1CNCC(C)O1 MC428243 [0,0,0,1,0,0|2,0,0]=3 41 B8R1.4 CC1CNCC(C)O1 MC444593 [0,0,0,1,0,0|2,0,0]=3 42 B8R1.4 CC1COCC(C)N1 MC103641 [0,0,0,1,0,0|3,0,0]=4 43 B8R1.4 CC1COCC(C)N1 MC104538 [0,0,0,1,0,0|3,0,0]=4 44 B8R1.4 CC1COCC(C)N1 MC105667 [0,0,0,1,0,0|3,0,0]=4 45 B8R1.4 CC1COCC(C)N1 MC105668 [0,0,0,1,0,0|3,0,0]=4 46 B8R1.4 CC1COCC(C)N1 MC113396 [0,0,0,1,0,0|3,0,0]=4 47 B8R1.6 CCOC1CC(N)C1 MC105049 [0,0,0,1,0,0|2,0,0]=3 48 B8R1.6 CCOC1CC(N)C1 MC105050 [0,0,0,1,0,0|2,0,0]=3 49 B8R1.6 CCOC1CC(N)C1 MC105051 [0,0,0,1,0,0|2,0,0]=3 50 B8R1.8 BrCCC1OCCO1 CS18251 [0,0,0,1,0,0|3,0,0]=4 51 B8R1.8 COCC1CCCN1 CS20310 [0,0,0,1,0,0|3,0,0]=4 52 B8R1.8 ICCC1CCCC1 MC106254 [0,0,0,1,0,0|3,0,0]=4 53 B8R1.8 NCCC1CCCC1 CS15909 [0,0,0,1,0,0|3,0,0]=4 54 B8R1.8 OCCC1CCCN1 MC103847 [0,0,0,1,0,0|3,0,0]=4 55 B8R1.8 OCCC1CCCN1 MC106622 [0,0,0,1,0,0|3,0,0]=4 56 B8R1.18 CC1CC(S)C(C)O1 MC115503 [0,0,0,1,0,0|2,0,0]=3 57 B8R1.22 CC1CCNCCN1 MC104490 [0,0,0,1,0,0|3,0,0]=4 58 B5R0.1 COCC(C)O CS20249 [2,0,0,0,0,0|2,0,0]=4 59 B5R0.1 COCC(C)O CS20309 [2,0,0,0,0,0|2,0,0]=4 60 B5R0.1 COCC(C)O CS20741 [2,0,0,0,0,0|2,0,0]=4 61 B5R0.2 CCCCCBr CS20657 [2,0,0,0,0,0|2,0,0]=4 62 B5R0.2 CCOCCBr CS21396 [2,0,0,0,0,0|1,0,0]=3 63 B5R0.2 CCOCCCl MC428008 [2,0,0,0,0,0|1,0,0]=3 64 B5R0.2 CNCCOC MC427349 [2,0,0,0,0,0|2,0,0]=4 65 B5R0.2 COCCCBr CS20649 [2,0,0,0,0,0|2,0,0]=4 66 B5R0.2 COCCCO CS20039 [2,0,0,0,0,0|2,0,0]=4 67 B5R0.2 COCCOC MC41899 [2,0,0,0,0,0|2,0,0]=4 68 B5R0.2 COCCOC MC445008 [2,0,0,0,0,0|2,0,0]=4 69 B5R0.3 CCC(C)[Zn]Br MC121335 [2,0,0,0,0,0|2,0,0]=4 70 B5R0.3 CCC(N)CO CS15119 [2,0,0,0,0,0|2,0,0]=4 71 B5R0.3 CCC(N)CO MC10528 [2,0,0,0,0,0|2,0,0]=4 72 B5R0.3 CCC(N)CO MC20718 [2,0,0,0,0,0|2,0,0]=4 73 B5R0.3 CCC(N)CO MC436159 [2,0,0,0,0,0|2,0,0]=4 74 B5R0.3 CCC(O)CO CS15622 [2,0,0,0,0,0|2,0,0]=4 75 B5R0.3 COC(C)CN CS17733 [2,0,0,0,0,0|1,0,0]=3 76 B5R0.3 COC(C)CO CS12306 [2,0,0,0,0,0|1,0,0]=3 77 B7R0.3 CCC(O)CCCO MC116029 [1,1,0,0,0,0|2,0,0]=4 78 B7R0.5 CCOC(=O)C(C)C CS11388 [1,1,0,0,0,0|1,0,1]=4 79 B7R0.5 CCOC(=O)C(C)F MC439605 [1,1,0,0,0,0|1,0,1]=4 80 B7R0.5 CCOC(=O)C(C)N CS15404 [1,1,0,0,0,0|1,0,1]=4 81 B7R0.5 CCOC(=O)C(C)N MC436160 [1,1,0,0,0,0|1,0,1]=4 82 B7R0.5 CCOC(=O)C(C)O CS20075 [1,1,0,0,0,0|1,0,1]=4 83 B7R0.10 CCC(C)C(N)CO CS18903 [1,1,0,0,0,0|2,0,0]=4 84 B7R0.10 CCC(C)C(N)CO MC437812 [1,1,0,0,0,0|2,0,0]=4 85 B7R0.12 COC(CSC)OC MC10796 [1,1,0,0,0,0|2,0,0]=4 86 B7R0.1 COCCOCCN MC431493 [1,1,0,0,0,0|2,0,0]=4 87 B7R0.4 CCCCCC(C)O CS21570 [1,1,0,0,0,0|2,0,0]=4 88 B9R0.5 CCO\C=C\C(=O)OCC MC20656 [0,2,0,0,0,0|1,0,1]=4 89 B9R0.35 CCCC(N)C(=O)OCC MC439184 [0,2,0,0,0,0|2,0,0]=4 90 B9R0.35 CCOC(=N)C(=O)OCC CS13440 [0,2,0,0,0,0|1,0,1]=4 91 B9R0.35 CCOC(=O)C(=O)OCC MC41888 [0,2,0,0,0,0|1,0,1]=4 92 B9R0.53 CC(C)OC(=O)OC(C)Cl CS20669 [0,2,0,0,0,0|1,0,1]=4 93 B9R0.15 CCOC(OCC)C(=N)N MC431708 [0,2,0,0,0,0|0,0,1]=3 94 B9R0.17 CCOP(OCC)OCC MC41970 [0,2,0,0,0,0|1,0,0]=3 95 B9R0.59 CCOP(=O)(CO)OCC CS11238 [0,2,0,0,0,0|1,0,0]=3 96 B7R1.1 BrCC1CCCC1 MC20145 [1,0,0,1,0,0|2,0,0]=4 97 B7R1.1 BrCC1CCCN1 MC114648 [1,0,0,1,0,0|2,0,0]=4 98 B7R1.1 BrCC1CCCO1 MC106365 [1,0,0,1,0,0|1,0,0]=3 99 B7R1.1 BrCC1OCCO1 CS21401 [1,0,0,1,0,0|2,0,0]=4 100 B7R1.1 CCC1CCCN1 MC110951 [1,0,0,1,0,0|1,0,0]=3 101 B7R1.1 COC1=NCCC1 CS10423 [1,0,0,1,0,0|1,0,1]=4 102 B7R1.1 COC1CCCN1 MC41692 [1,0,0,1,0,0|1,0,0]=3 103 B7R1.1 COC1CCNC1 CS12136 [1,0,0,1,0,0|2,0,0]=4 104 B7R1.1 COC1CCNC1 CS12137 [1,0,0,1,0,0|2,0,0]=4 105 B7R1.1 COC1CCNC1 CS22350 [1,0,0,1,0,0|2,0,0]=4 106 B7R1.1 ClCC1OCCO1 MC428002 [1,0,0,1,0,0|2,0,0]=4 107 B7R1.1 FCC1CCCN1 MC100102 [1,0,0,1,0,0|2,0,0]=4 108 B7R1.1 NCC1CCCC1 CS14873 [1,0,0,1,0,0|2,0,0]=4 109 B7R1.1 NCC1CCCN1 CS15469 [1,0,0,1,0,0|2,0,0]=4 110 B7R1.1 NCC1CCCN1 CS15745 [1,0,0,1,0,0|2,0,0]=4 111 B7R1.1 OCC1CCCC1 CS11185 [1,0,0,1,0,0|2,0,0]=4 112 B7R1.1 OCC1CCCN1 CS17003 [1,0,0,1,0,0|2,0,0]=4 113 B7R1.1 OCC1CCCN1 CS22640 [1,0,0,1,0,0|2,0,0]=4 114 B7R1.1 OCC1CCCO1 MC20392 [1,0,0,1,0,0|1,0,0]=3 115 B7R1.2 CC1=NC(C)CO1 MC428186 [1,0,0,1,0,0|1,0,1]=4 116 B7R1.2 CC1CCC(C)N1 MC102818 [1,0,0,1,0,0|1,0,0]=3 117 B7R1.2 CC1COC(=O)O1 MC428298 [1,0,0,1,0,0|1,0,1]=4 118 B7R1.3 BrC1CCCCC1 CS11079 [1,0,0,1,0,0|2,0,0]=4 119 B7R1.3 CC1CCCCN1 MC20418 [1,0,0,1,0,0|1,0,0]=3 120 B7R1.3 CC1CCCNC1 CS16133 [1,0,0,1,0,0|2,0,0]=4 121 B7R1.3 CC1CCCNC1 MC425227 [1,0,0,1,0,0|2,0,0]=4 122 B7R1.3 CC1CNCCN1 CS13503 [1,0,0,1,0,0|2,0,0]=4 123 B7R1.3 CC1CNCCN1 CS17164 [1,0,0,1,0,0|2,0,0]=4 124 B7R1.3 CC1CNCCN1 CS17167 [1,0,0,1,0,0|2,0,0]=4 125 B7R1.3 CC1CNCCO1 CS14515 [1,0,0,1,0,0|1,0,0]=3 126 B7R1.3 CC1CNCCO1 CS14521 [1,0,0,1,0,0|1,0,0]=3 127 B7R1.3 CC1CNCCO1 CS19299 [1,0,0,1,0,0|1,0,0]=3 128 B7R1.3 CC1CNCCO1 CS21692 [1,0,0,1,0,0|1,0,0]=3 129 B7R1.3 CC1CNCCO1 MC444038 [1,0,0,1,0,0|1,0,0]=3 130 B7R1.3 CC1CNCCO1 MC444192 [1,0,0,1,0,0|1,0,0]=3 131 B7R1.3 CC1COCCN1 CS14856 [1,0,0,1,0,0|2,0,0]=4 132 B7R1.3 CC1COCCN1 CS20285 [1,0,0,1,0,0|2,0,0]=4 133 B7R1.3 CC1COCCN1 CS22371 [1,0,0,1,0,0|2,0,0]=4 134 B7R1.3 CC1COCCN1 CS22413 [1,0,0,1,0,0|2,0,0]=4 135 B7R1.3 CC1COCCN1 MC20820 [1,0,0,1,0,0|2,0,0]=4 136 B7R1.3 O=C1CCCCO1 CS11208 [1,0,0,1,0,0|1,0,1]=4 137 B7R1.4 CC1OCCC1=O CS14135 [1,0,0,1,0,0|1,0,1]=4 138 B7R1.10 COC1CC(N)C1 MC102191 [1,0,0,1,0,0|2,0,0]=4 139 B7R1.10 COC1CC(N)C1 MC102192 [1,0,0,1,0,0|2,0,0]=4 140 B7R1.10 COC1CC(N)C1 MC105249 [1,0,0,1,0,0|2,0,0]=4 141 B7R1.10 COC1CC(N)C1 MC105250 [1,0,0,1,0,0|2,0,0]=4 142 B7R1.10 COC1CC(N)C1 MC112995 [1,0,0,1,0,0|2,0,0]=4 143 B7R1.10 COC1CC(N)C1 MC444289 [1,0,0,1,0,0|2,0,0]=4 144 B7R1.21 CCOC1(O)CC1 CS16017 [1,0,0,1,0,0|1,0,0]=3 145 B7R1.25 CC1(CN)CCC1 MC104689 [1,0,0,1,0,0|2,0,0]=4 146 B7R1.25 CC1(CN)CCC1 MC121097 [1,0,0,1,0,0|2,0,0]=4 147 B7R1.25 CC1(CO)CCO1 MC102954 [1,0,0,1,0,0|1,0,0]=3 148 B7R1.25 COC1(C)CNC1 MC112993 [1,0,0,1,0,0|2,0,0]=4 149 B7R1.24 C1CNCCOC1 CS17007 [1,0,0,1,0,0|2,0,0]=4 150 B9R1.2 CC1CCCC(CO)N1 MC104326 [0,1,0,1,0,0|2,0,0]=4 151 B9R1.2 CN1CCOC(CN)C1 CS21704 [0,1,0,1,0,0|2,0,0]=4 152 B9R1.7 CCNC1CCN(C)C1 MC103676 [0,1,0,1,0,0|2,0,0]=4 153 B9R1.8 CCNC1CCCCC1 CS11778 [0,1,0,1,0,0|2,0,0]=4 154 B9R1.8 CCOC1CCCNC1 CS13869 [0,1,0,1,0,0|1,0,0]=3 155 B9R1.8 CNCC1CCCOC1 MC104397 [0,1,0,1,0,0|2,0,0]=4 156 B9R1.8 COCC1CNCCO1 MC105771 [0,1,0,1,0,0|2,0,0]=4 157 B9R1.8 COCC1CNCCO1 MC444037 [0,1,0,1,0,0|2,0,0]=4 158 B9R1.8 COCC1CNCCO1 MC444190 [0,1,0,1,0,0|2,0,0]=4 159 B9R1.8 OCCC1CNCCO1 MC107498 [0,1,0,1,0,0|2,0,0]=4 160 B9R1.3 CC1CCNC(C)C1Br MC427293 [0,1,0,1,0,0|2,0,0]=4 161 B9R1.34 CC1CC(=O)CC(C)O1 MC425912 [0,1,0,1,0,0|1,0,1]=4 162 B9R1.34 CC1OC(C)OC(C)O1 MC41712 [0,1,0,1,0,0|0,0,0]=2 163 B9R1.66 CC1(C)CC(N)CCO1 MC115908 [0,1,0,1,0,0|2,0,0]=4 164 B9R1.14 CCN1CCCC1CN CS10140 [0,1,0,1,0,0|2,0,0]=4 165 B9R1.148 CC1(C)OCC=CCO1 MC425125 [0,1,0,1,0,0|0,0,2]=4 166 B9R2.68 C1CC2CCC(C1)N2 MC444465 [0,0,0,2,0,0|2,0,0]=4 167 B9R2.68 C1CC2CNCC1O2 CS10860 [0,0,0,2,0,0|2,0,0]=4 168 B9R2.3 C1CC2CNCC2O1 MC105099 [0,0,0,2,0,0|2,0,0]=4 169 B9R2.173 C1CC2(CCO2)CN1 MC102909 [0,0,0,2,0,0|2,0,0]=4 170 B9R2.173 C1CC2(CCO2)CN1 MC103911 [0,0,0,2,0,0|2,0,0]=4 171 B9R2.173 C1CC2(CCO2)CN1 MC444133 [0,0,0,2,0,0|2,0,0]=4 172 B9R2.173 C1CCC2(C1)CCN2 MC104800 [0,0,0,2,0,0|2,0,0]=4 173 B9R2.173 C1CNC2(C1)CCC2 MC102196 [0,0,0,2,0,0|2,0,0]=4 174 B9R2.173 C1CNC2(C1)CCC2 MC105663 [0,0,0,2,0,0|2,0,0]=4 175 B9R2.173 C1COC2(C1)CNC2 MC102068 [0,0,0,2,0,0|2,0,0]=4