0 B7R0.5 CC(C)C(=O)CC#N MC41933 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.5 CCOC(=O)C(C)C CS11388 [0,0,0,0,0,0|0,0,0]=0 2 B7R0.5 CCOC(=O)C(C)F MC439605 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.5 CCOC(=O)C(C)N CS15404 [0,0,0,0,0,0|1,0,0]=1 4 B7R0.5 CCOC(=O)C(C)N MC436160 [0,0,0,0,0,0|1,0,0]=1 5 B7R0.5 CCOC(=O)C(C)O CS20075 [0,0,0,0,0,0|1,0,0]=1 6 B7R0.5 CCOC(=O)C(F)Br MC41908 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.5 CCOC(=O)C(F)Cl MC41909 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.5 CCOC(=O)C(F)F CS11385 [0,0,0,0,0,0|2,0,0]=2 9 B7R0.5 CCOC(=O)C(N)=S CS11392 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.5 CNCC(=O)N(C)C MC438152 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.1 C#CC(=O)OCC MC434052 [1,0,0,0,0,0|0,0,2]=3 12 B6R0.1 CCCC(=O)NN CS22544 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.1 CCNC(=O)NC MC428152 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.1 CCOC(=O)CBr MC41907 [1,0,0,0,0,0|1,0,0]=2 15 B6R0.1 CCOC(=O)CCl MC41910 [1,0,0,0,0,0|1,0,0]=2 16 B6R0.1 CCOC(=O)CN CS15347 [1,0,0,0,0,0|1,0,0]=2 17 B6R0.1 CCOC(=O)CO CS11386 [1,0,0,0,0,0|1,0,0]=2 18 B6R0.1 CCOC(=O)NN CS11383 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.1 CNC(=O)CCN MC112263 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.1 CNCC(=O)OC MC438154 [1,0,0,0,0,0|3,0,0]=4 21 B6R0.1 COC(=O)CCBr CS18993 [1,0,0,0,0,0|3,0,0]=4 22 B6R0.1 COC(=O)CCN CS22266 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.1 C\C=C\C(=O)OC MC41953 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.1 O=C(CCl)NCO CS14580 [1,0,0,0,0,0|3,0,0]=4 25 B6R0.3 CC(C)C(C)CO MC113312 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.3 CC(C)C(N)CO CS17224 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.3 CC(C)C(N)CO CS22659 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.3 CCC(=O)C(=O)O CS21626 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.3 CN(C)C(=O)CBr CS14025 [1,0,0,0,0,0|2,0,0]=3 30 B6R0.3 CN(C)C(=O)CN CS21306 [1,0,0,0,0,0|2,0,0]=3 31 B6R0.3 CN(C)C(=O)CN MC116188 [1,0,0,0,0,0|2,0,0]=3 32 B6R0.3 CN(C)C(=O)CN MC437713 [1,0,0,0,0,0|2,0,0]=3 33 B6R0.3 CNC(=O)C(C)N MC436151 [1,0,0,0,0,0|2,0,0]=3 34 B6R0.3 COC(=O)C(C)Br CS14958 [1,0,0,0,0,0|1,0,0]=2 35 B6R0.3 COC(=O)C(C)C MC41931 [1,0,0,0,0,0|0,0,0]=1 36 B6R0.3 COC(=O)C(C)Cl CS15798 [1,0,0,0,0,0|1,0,0]=2 37 B6R0.3 COC(=O)C(C)N CS14901 [1,0,0,0,0,0|1,0,0]=2 38 B6R0.3 COC(=O)C(C)N CS16663 [1,0,0,0,0,0|1,0,0]=2 39 B6R0.3 COC(=O)C(C)N CS22242 [1,0,0,0,0,0|1,0,0]=2 40 B6R0.3 COC(=O)C(C)O MC20343 [1,0,0,0,0,0|1,0,0]=2 41 B6R0.3 COC(=O)C(F)F MC32025 [1,0,0,0,0,0|2,0,0]=3 42 B6R0.3 COC(=O)C(N)=S MC430693 [1,0,0,0,0,0|2,0,1]=4 43 B6R0.4 CC(C)CCCO MC428025 [1,0,0,0,0,0|2,0,1]=4 44 B6R0.4 CC(C)NCCN MC20461 [1,0,0,0,0,0|3,0,0]=4 45 B8R0.3 C=C(CBr)C(=O)OCC CS11325 [0,1,0,0,0,0|0,0,2]=3 46 B8R0.3 C=C(CO)C(=O)OCC CS20908 [0,1,0,0,0,0|0,0,2]=3 47 B8R0.3 CCNC(=O)C(N)CC MC116564 [0,1,0,0,0,0|2,0,0]=3 48 B8R0.3 CCNC(=O)C(N)CC MC116565 [0,1,0,0,0,0|2,0,0]=3 49 B8R0.3 CCOC(=O)C(=O)CBr CS18430 [0,1,0,0,0,0|1,0,1]=3 50 B8R0.3 CCOC(=O)C(=O)CC CS13439 [0,1,0,0,0,0|1,0,1]=3 51 B8R0.3 CCOC(=O)C(=O)NN CS13814 [0,1,0,0,0,0|2,0,1]=4 52 B8R0.3 CCOC(=O)C(C)C#N CS21515 [0,1,0,0,0,0|0,0,1]=2 53 B8R0.3 CCOC(=O)C(Cl)C=O MC444619 [0,1,0,0,0,0|1,0,1]=3 54 B8R0.3 CCOC(=O)C(N)C#N MC425578 [0,1,0,0,0,0|1,0,1]=3 55 B8R0.3 CCOC(=O)C(N)CO CS13449 [0,1,0,0,0,0|1,0,0]=2 56 B8R0.3 CCOC(=O)C(N)CO CS17107 [0,1,0,0,0,0|1,0,0]=2 57 B8R0.3 CCOC(=O)C(N)CO MC439193 [0,1,0,0,0,0|1,0,0]=2 58 B8R0.3 CCOC(=O)C(N)CS CS16176 [0,1,0,0,0,0|1,0,0]=2 59 B8R0.3 CCOC(=O)\C(Cl)=N/O CS16217 [0,1,0,0,0,0|2,0,1]=4 60 B8R0.8 CN(C)C(=O)CCCN MC112306 [0,1,0,0,0,0|2,0,0]=3 61 B8R0.14 CC(C)(C)C(=O)CC#N MC434058 [0,1,0,0,0,0|2,0,1]=4 62 B8R0.14 CCOC(=O)C(C)(C)N CS18617 [0,1,0,0,0,0|0,0,0]=1 63 B8R0.14 CCOC(=O)C(F)(F)Br MC20810 [0,1,0,0,0,0|2,0,0]=3 64 B8R0.14 CCOC(=O)C(F)(F)Cl MC439608 [0,1,0,0,0,0|2,0,0]=3 65 B8R0.14 CCOC(=O)C(F)(F)F MC10433 [0,1,0,0,0,0|2,0,0]=3 66 B8R0.23 CC(=O)CC(=O)C(C)C MC41930 [0,1,0,0,0,0|1,0,1]=3 67 B8R0.23 CC(C)OC(=O)C(C)N CS14281 [0,1,0,0,0,0|1,0,0]=2 68 B8R0.23 CC(C)OC(=O)C(C)N MC436161 [0,1,0,0,0,0|1,0,0]=2 69 B8R0.23 CC(C)OC(=O)C(C)N MC439194 [0,1,0,0,0,0|1,0,0]=2 70 B8R1.5 CC1=NCCCN1C MC20695 [0,0,0,1,0,0|3,0,0]=4 71 B8R1.5 CC1CCNCC1=O MC105562 [0,0,0,1,0,0|2,0,0]=3 72 B8R1.5 CC1CNCCC1=O MC106748 [0,0,0,1,0,0|2,0,0]=3 73 B8R1.5 CC1COCCC1=O MC425868 [0,0,0,1,0,0|2,0,0]=3 74 B8R1.5 CN1CCNCC1=O CS17040 [0,0,0,1,0,0|3,0,0]=4 75 B8R1.5 CN1CCNCC1=O CS18390 [0,0,0,1,0,0|3,0,0]=4 76 B8R1.5 NC1CCCNC1=O MC106744 [0,0,0,1,0,0|2,0,0]=3 77 B8R1.5 O=C1CCCCC1=O CS20486 [0,0,0,1,0,0|2,0,1]=4 78 B8R1.5 O=C1CCNCC1Br MC106749 [0,0,0,1,0,0|3,0,0]=4 79 B8R1.5 O=C1NCCCC1Br CS14644 [0,0,0,1,0,0|2,0,0]=3 80 B8R1.5 O=C1NCCCC1O CS19689 [0,0,0,1,0,0|2,0,0]=3 81 B8R1.5 O=C1OCCCC1O CS16147 [0,0,0,1,0,0|1,0,0]=2 82 B8R1.7 CC(C)C1=CC=CO1 MC428131 [0,0,0,1,0,0|1,0,2]=4 83 B8R1.18 CC1CC(=O)OC1=O MC440511 [0,0,0,1,0,0|1,0,1]=3 84 B8R1.18 CC1CC(S)C(C)O1 MC115503 [0,0,0,1,0,0|2,0,1]=4 85 B8R1.18 CC1NC(=O)OC1=O CS17248 [0,0,0,1,0,0|2,0,1]=4 86 B8R1.18 CC1NC(=O)OC1=O MC428306 [0,0,0,1,0,0|2,0,1]=4 87 B8R1.18 CN1CC(N)CC1=O MC104828 [0,0,0,1,0,0|3,0,0]=4 88 B8R1.18 CN1CC(O)CC1=O MC111393 [0,0,0,1,0,0|3,0,0]=4 89 B8R1.37 N#CCC(=O)C1CC1 MC20950 [0,0,0,1,0,0|2,0,1]=4 90 B8R0.5 CC(C)OC(=O)OCCl CS19003 [0,0,0,0,0,1|1,0,0]=2 91 B8R0.5 CCOC(=O)C=C(C)C CS11345 [0,0,0,0,0,1|0,0,1]=2 92 B8R0.5 CCOC(=O)CC(=N)N MC41916 [0,0,0,0,0,1|2,0,1]=4 93 B8R0.5 CCOC(=O)CC(=O)Cl MC20855 [0,0,0,0,0,1|2,0,1]=4 94 B8R0.5 CCOC(=O)CC(C)=O MC41905 [0,0,0,0,0,1|1,0,1]=3 95 B8R0.5 CCOC(=O)CC(C)O CS11353 [0,0,0,0,0,1|1,0,0]=2 96 B8R0.5 CCOC(=O)CC(C)O CS18545 [0,0,0,0,0,1|1,0,0]=2 97 B8R0.5 CCOC(=O)CC(N)=O CS18301 [0,0,0,0,0,1|2,0,1]=4 98 B8R0.5 CCOC(=O)C[N+](=O)[O-] CS22612 [0,0,0,0,0,1|3,0,0]=4 99 B8R0.5 CCOC(=O)OC(C)Cl CS20668 [0,0,0,0,0,1|1,0,0]=2 100 B8R0.5 CCOC(=O)\C=C(/C)N CS15795 [0,0,0,0,0,1|1,0,1]=3 101 B5R0.1 CC(C)=CCBr MC41900 [2,0,0,0,0,0|1,0,1]=4 102 B5R0.1 CCCC(C)=O CS21731 [2,0,0,0,0,0|1,0,0]=3 103 B5R0.1 CCOC(=N)N CS11818 [2,0,0,0,0,0|2,0,0]=4 104 B5R0.1 COCC(C)N CS15401 [2,0,0,0,0,0|1,0,1]=4 105 B5R0.1 COCC(C)O CS20249 [2,0,0,0,0,0|1,0,1]=4 106 B5R0.1 COCC(C)O CS20309 [2,0,0,0,0,0|1,0,1]=4 107 B5R0.1 COCC(C)O CS20741 [2,0,0,0,0,0|1,0,1]=4 108 B5R0.2 CCOCCBr CS21396 [2,0,0,0,0,0|1,0,1]=4 109 B5R0.2 CCOCCCl MC428008 [2,0,0,0,0,0|1,0,1]=4 110 B5R0.3 CNC(=O)CCl MC21094 [2,0,0,0,0,0|2,0,0]=4 111 B5R0.3 CNC(=O)CN MC437710 [2,0,0,0,0,0|2,0,0]=4 112 B5R0.3 COC(=O)CN CS15045 [2,0,0,0,0,0|1,0,0]=3 113 B5R0.3 COC(=O)CO CS19433 [2,0,0,0,0,0|1,0,0]=3 114 B5R0.3 COC(=O)CS MC20578 [2,0,0,0,0,0|1,0,0]=3 115 B5R0.3 COC(=O)NN MC20825 [2,0,0,0,0,0|2,0,0]=4 116 B5R0.3 O=C(CO)CO CS11245 [2,0,0,0,0,0|2,0,0]=4 117 B5R0.5 CC(=O)C(=O)O MC41939 [2,0,0,0,0,0|1,0,1]=4 118 B5R0.5 CC(Br)C(=O)O MC20444 [2,0,0,0,0,0|1,0,0]=3 119 B5R0.5 CC(C)C(=O)Cl MC40490 [2,0,0,0,0,0|1,0,0]=3 120 B5R0.5 CC(C)C(N)=O CS21696 [2,0,0,0,0,0|1,0,0]=3 121 B5R0.5 CC(Cl)C(=O)O MC20315 [2,0,0,0,0,0|1,0,0]=3 122 B5R0.5 CC(Cl)C(=O)O MC436860 [2,0,0,0,0,0|1,0,0]=3 123 B5R0.5 CC(F)C(=O)O MC429445 [2,0,0,0,0,0|1,0,0]=3 124 B5R0.5 CC(N)C(=O)O CS18992 [2,0,0,0,0,0|1,0,0]=3 125 B5R0.5 CC(N)C(=O)O CS19143 [2,0,0,0,0,0|1,0,0]=3 126 B5R0.5 CC(N)C(=O)O MC428047 [2,0,0,0,0,0|1,0,0]=3 127 B5R0.5 CC(N)C(N)=O CS15732 [2,0,0,0,0,0|2,0,0]=4 128 B5R0.5 CC(N)C(N)=O CS22529 [2,0,0,0,0,0|2,0,0]=4 129 B5R0.5 CC(N)C(N)=O MC436152 [2,0,0,0,0,0|2,0,0]=4 130 B5R0.5 CC(N)C(N)=O MC436153 [2,0,0,0,0,0|2,0,0]=4 131 B5R0.5 CC(O)C(=O)O MC437817 [2,0,0,0,0,0|1,0,0]=3 132 B5R0.5 CN(C)C(=O)Cl MC428263 [2,0,0,0,0,0|2,0,0]=4 133 B5R0.5 O=C(O)C(F)F MC20641 [2,0,0,0,0,0|2,0,0]=4 134 B7R0.2 CC(C)OC(=O)CO CS11522 [1,1,0,0,0,0|1,0,0]=3 135 B7R0.2 CCC(=O)CC(C)=O CS21124 [1,1,0,0,0,0|1,0,1]=4 136 B7R0.2 CCC(=O)OC(C)=O CS16382 [1,1,0,0,0,0|0,0,1]=3 137 B7R0.2 COC(=O)CC(C)O CS11584 [1,1,0,0,0,0|2,0,0]=4 138 B7R0.3 C=CCOC(=O)CCl MC428296 [1,1,0,0,0,0|1,0,1]=4 139 B7R0.3 COC(=O)CCCBr MC427387 [1,1,0,0,0,0|2,0,0]=4 140 B7R0.3 COC(=O)CCCN MC439309 [1,1,0,0,0,0|2,0,0]=4 141 B7R0.7 CC#CC(=O)OCC CS10117 [1,1,0,0,0,0|0,0,1]=3 142 B7R0.7 CCOC(=O)CC#N MC41911 [1,1,0,0,0,0|0,0,1]=3 143 B7R0.7 CCOC(=O)CCN CS14330 [1,1,0,0,0,0|0,0,0]=2 144 B7R0.7 CCOC(=O)CNC CS17068 [1,1,0,0,0,0|0,0,0]=2 145 B7R0.7 CCOC(=O)CNN CS19987 [1,1,0,0,0,0|1,0,0]=3 146 B7R0.7 CCOC(=O)COC CS11389 [1,1,0,0,0,0|0,0,0]=2 147 B7R0.7 O=C(CCCl)CCCl CS19912 [1,1,0,0,0,0|2,0,0]=4 148 B7R0.10 CCC(Br)C(=O)OC CS14136 [1,1,0,0,0,0|2,0,0]=4 149 B7R0.10 CCC(N)C(=O)OC MC436010 [1,1,0,0,0,0|2,0,0]=4 150 B7R0.14 CCC(=O)C(F)(F)F MC21145 [1,1,0,0,0,0|2,0,0]=4 151 B7R0.14 COC(=O)C(C)(C)F CS11604 [1,1,0,0,0,0|0,0,0]=2 152 B7R0.14 COC(=O)C(C)(C)N CS17071 [1,1,0,0,0,0|0,0,0]=2 153 B7R0.14 COC(=O)C(F)(F)Cl MC439609 [1,1,0,0,0,0|2,0,0]=4 154 B7R0.14 COC(=O)C(F)(F)F MC32021 [1,1,0,0,0,0|2,0,0]=4 155 B7R0.16 CC(C)C(=O)C(=O)[O-] CS22357 [1,1,0,0,0,0|1,0,1]=4 156 B7R0.16 CC(C)C(=O)N(C)C MC41952 [1,1,0,0,0,0|1,0,0]=3 157 B7R0.16 CC(C)C(N)C(C)C CS17730 [1,1,0,0,0,0|1,0,1]=4 158 B7R0.6 CC(C)CCC(C)N MC446673 [1,1,0,0,0,0|1,0,1]=4 159 B9R0.4 CC(C)NC(=O)NCCN MC112535 [0,1,0,0,0,1|1,0,0]=3 160 B9R0.6 CCNC(=O)C(N)C(C)C MC112425 [0,1,0,0,0,1|1,0,0]=3 161 B9R0.6 CCOC(=O)C(=O)C(C)C MC41914 [0,1,0,0,0,1|0,0,0]=2 162 B9R0.6 CCOC(=O)C(=O)C(C)Cl MC107439 [0,1,0,0,0,1|1,0,0]=3 163 B9R0.6 CCOC(=O)C(Br)C(C)C CS19615 [0,1,0,0,0,1|0,0,0]=2 164 B9R0.6 CCOC(=O)C(C)C(C)=O CS19187 [0,1,0,0,0,1|1,0,1]=4 165 B9R0.6 CCOC(=O)C(F)C(C)=O MC32203 [0,1,0,0,0,1|1,0,1]=4 166 B9R0.6 CCOC(=O)C(F)C(C)C MC429819 [0,1,0,0,0,1|0,0,0]=2 167 B9R0.6 CCOC(=O)C(N)C(C)C MC438303 [0,1,0,0,0,1|0,0,0]=2 168 B9R0.34 CCOC(=O)CC(=O)CBr CS13599 [0,1,0,0,0,1|1,0,1]=4 169 B9R0.34 CCOC(=O)CC(=O)CC CS11391 [0,1,0,0,0,1|1,0,1]=4 170 B9R0.34 CCOC(=O)CC(=O)CN MC116410 [0,1,0,0,0,1|1,0,1]=4 171 B9R0.34 CCOC(=O)CC(=O)NC MC106824 [0,1,0,0,0,1|1,0,1]=4 172 B9R0.44 CC(C)(C)OC(=O)CCN CS19160 [0,1,0,0,0,1|2,0,0]=4 173 B9R0.44 CC(C)(C)OC(=O)CCN MC106943 [0,1,0,0,0,1|2,0,0]=4 174 B9R0.44 CC(C)(C)OC(=O)NCN MC425800 [0,1,0,0,0,1|2,0,0]=4 175 B9R0.44 CCOC(=O)CC(C)(C)N CS14497 [0,1,0,0,0,1|0,0,0]=2 176 B9R0.44 CCOC(=O)CC(C)(C)O CS15635 [0,1,0,0,0,1|0,0,0]=2 177 B9R0.44 CNCC(=O)OC(C)(C)C CS14999 [0,1,0,0,0,1|2,0,0]=4 178 B9R0.44 CNCC(=O)OC(C)(C)C MC439129 [0,1,0,0,0,1|2,0,0]=4 179 B9R0.53 CC(C)OC(=O)OC(C)Cl CS20669 [0,1,0,0,0,1|0,0,0]=2 180 B9R0.53 C\C(N)=C\C(=O)OC(C)C CS10135 [0,1,0,0,0,1|1,0,1]=4 181 B9R0.35 CCCC(=O)C(=O)OCC CS14582 [0,2,0,0,0,0|1,0,1]=4 182 B9R0.35 CCCC(N)C(=O)OCC MC439184 [0,2,0,0,0,0|1,0,0]=3 183 B9R0.35 CCOC(=N)C(=O)OCC CS13440 [0,2,0,0,0,0|1,0,1]=4 184 B9R0.35 CCOC(=O)C(=O)OCC MC41888 [0,2,0,0,0,0|1,0,1]=4 185 B9R0.37 CCOC(=O)C(C=O)C=O CS12302 [0,2,0,0,0,0|0,0,2]=4 186 B9R0.42 CCC(=O)OC(Cl)C(C)C CS20670 [0,2,0,0,0,0|1,0,1]=4 187 B9R0.42 COC(=O)CC(=O)C(C)C CS11675 [0,2,0,0,0,0|1,0,1]=4 188 B9R0.47 CCCCOC(=O)C(C)N CS15628 [0,2,0,0,0,0|1,0,0]=3 189 B9R0.57 CC(N)C(=O)OC(C)(C)C CS19633 [0,2,0,0,0,0|1,0,0]=3 190 B9R0.57 CC(N)C(=O)OC(C)(C)C CS22243 [0,2,0,0,0,0|1,0,0]=3 191 B9R0.57 CN(N)C(=O)OC(C)(C)C MC42037 [0,2,0,0,0,0|2,0,0]=4 192 B7R1.2 CC1=CC(=O)CC1 CS22356 [1,0,0,1,0,0|1,0,1]=4 193 B7R1.2 CC1COC(=O)N1 CS14300 [1,0,0,1,0,0|2,0,0]=4 194 B7R1.2 CC1COC(=O)O1 MC428298 [1,0,0,1,0,0|1,0,0]=3 195 B7R1.2 CN1CCC(=O)C1 CS20760 [1,0,0,1,0,0|2,0,0]=4 196 B7R1.2 O=C1CCC(I)C1 MC115016 [1,0,0,1,0,0|2,0,0]=4 197 B7R1.3 O=C1C=CCCC1 MC41883 [1,0,0,1,0,0|1,0,1]=4 198 B7R1.3 O=C1CCCCN1 MC429045 [1,0,0,1,0,0|1,0,0]=3 199 B7R1.3 O=C1CCCCO1 CS11208 [1,0,0,1,0,0|0,0,0]=2 200 B7R1.3 O=C1CCCNC1 CS14768 [1,0,0,1,0,0|2,0,0]=4 201 B7R1.3 O=C1CCCNC1 CS17767 [1,0,0,1,0,0|2,0,0]=4 202 B7R1.3 O=C1CCCOC1 MC31097 [1,0,0,1,0,0|2,0,0]=4 203 B7R1.3 O=C1CCNCC1 CS22790 [1,0,0,1,0,0|2,0,0]=4 204 B7R1.3 O=C1CCOCC1 CS13380 [1,0,0,1,0,0|2,0,0]=4 205 B7R1.3 O=C1CCSCC1 CS18797 [1,0,0,1,0,0|2,0,0]=4 206 B7R1.3 O=C1CNCCN1 CS19142 [1,0,0,1,0,0|2,0,0]=4 207 B7R1.3 O=C1CNCCO1 MC441004 [1,0,0,1,0,0|1,0,0]=3 208 B7R1.3 O=C1COCCN1 CS11697 [1,0,0,1,0,0|2,0,0]=4 209 B7R1.3 O=C1COCCO1 MC20725 [1,0,0,1,0,0|1,0,0]=3 210 B7R1.4 CC1OCCC1=O CS14135 [1,0,0,1,0,0|2,0,0]=4 211 B7R1.4 CN1CCCC1=O MC41699 [1,0,0,1,0,0|2,0,0]=4 212 B7R1.4 NC1CCNC1=O MC107169 [1,0,0,1,0,0|2,0,0]=4 213 B7R1.4 NC1CCNC1=O MC115917 [1,0,0,1,0,0|2,0,0]=4 214 B7R1.4 NC1CCOC1=O CS18578 [1,0,0,1,0,0|1,0,0]=3 215 B7R1.4 NC1CCOC1=O MC439296 [1,0,0,1,0,0|1,0,0]=3 216 B7R1.4 NC1CCSC1=O MC428331 [1,0,0,1,0,0|1,1,0]=4 217 B7R1.4 NN1CCOC1=O MC102926 [1,0,0,1,0,0|2,0,0]=4 218 B7R1.4 O=C1CCCC1Br MC445112 [1,0,0,1,0,0|2,0,0]=4 219 B7R1.4 O=C1NCCC1O CS19486 [1,0,0,1,0,0|2,0,0]=4 220 B7R1.4 O=C1NCCC1O MC115910 [1,0,0,1,0,0|2,0,0]=4 221 B7R1.4 O=C1NCCC1O MC444274 [1,0,0,1,0,0|2,0,0]=4 222 B7R1.8 O=C1CCC1CO MC104211 [1,0,0,1,0,0|2,0,0]=4 223 B7R1.8 O=C1CCC1CO MC104212 [1,0,0,1,0,0|2,0,0]=4 224 B7R1.8 O=C1CCC1CO MC104213 [1,0,0,1,0,0|2,0,0]=4 225 B7R1.21 CCOC1(O)CC1 CS16017 [1,0,0,1,0,0|0,0,2]=4 226 B7R1.22 COC(=O)C1CC1 MC41839 [1,0,0,1,0,0|2,0,0]=4 227 B7R1.22 O=C(CBr)C1CC1 MC433212 [1,0,0,1,0,0|2,0,0]=4 228 B9R1.34 CC1CC(=O)CC(C)O1 MC425912 [0,0,0,1,0,1|2,0,0]=4 229 B9R1.38 CC1(C)CC(=O)OC1=O CS19863 [0,0,0,1,0,1|1,0,1]=4 230 B9R1.66 CC1(C)CC(=O)CCO1 CS17870 [0,0,0,1,0,1|2,0,0]=4 231 B9R1.66 CC1(C)CCCC(=O)C1 MC10482 [0,0,0,1,0,1|1,0,0]=3 232 B9R1.183 CCOC(=O)C1CC1Br MC430633 [0,0,0,1,0,1|1,0,0]=3 233 B9R1.183 CCOC(=O)C1CC1F MC425315 [0,0,0,1,0,1|1,0,0]=3 234 B9R1.3 CC1C(=O)CCCC1=O CS10132 [0,1,0,1,0,0|1,0,1]=4 235 B9R1.3 CN1CCCC(N)C1=O MC103467 [0,1,0,1,0,0|2,0,0]=4 236 B9R1.3 CN1CCCC(N)C1=O MC104792 [0,1,0,1,0,0|2,0,0]=4 237 B9R1.3 CN1CCCC(N)C1=O MC106967 [0,1,0,1,0,0|2,0,0]=4 238 B9R1.3 CN1CCCN(C)C1=O CS14637 [0,1,0,1,0,0|2,0,0]=4 239 B9R1.101 CON(C)C(=O)C1CC1 MC425291 [0,1,0,1,0,0|2,0,0]=4 240 B9R1.110 CN(C)C(=O)C1CNC1 MC113079 [0,1,0,1,0,0|2,0,0]=4 241 B9R1.5 CN1CCCNCC1=O MC100103 [0,1,0,1,0,0|2,0,0]=4 242 B9R1.5 NC1CCCCNC1=O CS15569 [0,1,0,1,0,0|2,0,0]=4 243 B9R1.5 NC1CCCCNC1=O CS15816 [0,1,0,1,0,0|2,0,0]=4 244 B9R1.5 NC1CCCCNC1=O MC425745 [0,1,0,1,0,0|2,0,0]=4 245 B9R1.5 NC1CSCCNC1=O MC100169 [0,1,0,1,0,0|2,0,0]=4 246 B9R1.15 CCC1CNCCC1=O CS17950 [0,1,0,1,0,0|2,0,0]=4 247 B9R1.15 COC1CCCNC1=O CS12712 [0,1,0,1,0,0|1,0,0]=3 248 B9R1.15 N#CC1CCCCC1=O MC33325 [0,1,0,1,0,0|1,0,1]=4 249 B9R1.69 CC1CCC(=O)NC1=O MC427305 [0,1,0,1,0,0|1,0,1]=4 250 B9R1.69 CC1CN(C)C(=O)CN1 MC104410 [0,1,0,1,0,0|2,0,0]=4 251 B9R1.69 CC1CN(C)C(=O)CN1 MC105415 [0,1,0,1,0,0|2,0,0]=4 252 B9R1.69 CN1CC(N)CCC1=O MC104028 [0,1,0,1,0,0|2,0,0]=4 253 B9R1.69 CN1CC(N)CCC1=O MC444375 [0,1,0,1,0,0|2,0,0]=4 254 B9R1.69 CN1CCC(N)CC1=O MC105288 [0,1,0,1,0,0|2,0,0]=4 255 B9R1.73 CCOC(=O)C1CCC1 MC41840 [0,1,0,1,0,0|0,0,0]=2 256 B9R1.73 CCOC(=O)C1CNC1 CS11347 [0,1,0,1,0,0|0,0,0]=2 257 B9R1.74 CCOC(=O)C1(C)CC1 CS19612 [0,1,0,1,0,0|0,0,0]=2 258 B9R1.74 CCOC(=O)C1(N)CC1 CS19059 [0,1,0,1,0,0|0,0,0]=2 259 B9R1.6 CC(C)C1CNCCO1 CS16451 [0,1,0,1,0,0|1,0,1]=4 260 B9R1.6 CC(C)C1CNCCO1 MC444036 [0,1,0,1,0,0|1,0,1]=4 261 B9R1.6 CC(C)C1CNCCO1 MC444059 [0,1,0,1,0,0|1,0,1]=4 262 B9R1.6 CC(C)C1COCCN1 MC20926 [0,1,0,1,0,0|1,0,1]=4 263 B9R1.6 CC(C)C1COCCN1 MC444041 [0,1,0,1,0,0|1,0,1]=4 264 B9R1.6 CC(C)C1COCCN1 MC444063 [0,1,0,1,0,0|1,0,1]=4 265 B9R1.6 CC(C)C1COCCN1 MC444288 [0,1,0,1,0,0|1,0,1]=4 266 B9R1.40 CC1(C)CCCOC1=O MC112082 [0,1,0,1,0,0|0,0,0]=2 267 B9R1.40 CC1(C)COCCC1=O CS16380 [0,1,0,1,0,0|1,0,0]=3 268 B9R1.40 O=C1NCCCC1(Br)Br CS18534 [0,1,0,1,0,0|2,0,0]=4 269 B9R2.19 O=C1NCC2CC1N2 MC105469 [0,0,0,2,0,0|2,0,0]=4 270 B9R2.109 O=C1CCCC2CC12 MC102253 [0,0,0,2,0,0|1,0,0]=3 271 B9R2.25 O=C1OC(=O)C2CC12 CS22387 [0,0,0,2,0,0|1,0,1]=4 272 B9R0.48 CCOC(=O)CNC(C)=O MC439004 [0,0,0,0,0,2|1,0,1]=4