0 B7R0.5 CC(C)C(=O)CC#N MC41933 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.5 CCCC(N)C(=O)O CS10518 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.5 CCCC(N)C(=O)O CS17028 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.5 CCCC(N)C(=O)O MC439125 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.5 CCCC(N)C(N)=O MC438024 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.5 CCOC(=O)C(C)C CS11388 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.5 CCOC(=O)C(C)F MC439605 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.5 CCOC(=O)C(C)N CS15404 [0,0,0,0,0,0|2,0,1]=3 8 B7R0.5 CCOC(=O)C(C)N MC436160 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.5 CCOC(=O)C(C)O CS20075 [0,0,0,0,0,0|1,0,2]=3 10 B7R0.5 CCOC(=O)C(F)Br MC41908 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.5 CCOC(=O)C(F)Cl MC41909 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.5 CCOC(=O)C(F)F CS11385 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.5 CCOC(=O)C(N)=S CS11392 [0,0,0,0,0,0|2,1,0]=3 14 B7R0.5 CNCC(=O)N(C)C MC438152 [0,0,0,0,0,0|3,0,0]=3 15 B7R0.5 COCC(N)C(=O)O CS12183 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.5 COCC(N)C(=O)O CS16755 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.5 COCC(N)C(=O)O CS20335 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.5 CSCC(N)C(=O)O MC439293 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.5 C[Se]CC(N)C(=O)O MC435442 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.5 C[Se]CC(N)C(=O)O MC435443 [0,0,0,0,0,0|3,0,1]=4 21 B7R0.5 NC(CCO)C(=O)O CS13886 [0,0,0,0,0,0|3,0,1]=4 22 B7R0.5 NC(CCO)C(=O)O CS16701 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.5 NC(CCO)C(=O)O CS22620 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.5 NCCC(N)C(=O)O CS13874 [0,0,0,0,0,0|3,0,1]=4 25 B7R0.5 NCCC(N)C(=O)O CS15080 [0,0,0,0,0,0|3,0,1]=4 26 B7R0.5 NCCC(N)C(=O)O MC436921 [0,0,0,0,0,0|3,0,1]=4 27 B7R0.5 NCCC(N)C(=O)O MC439091 [0,0,0,0,0,0|3,0,1]=4 28 B7R0.5 NCCC(N)C(=O)O MC439321 [0,0,0,0,0,0|3,0,1]=4 29 B7R0.5 NCCC(O)C(=O)O CS15496 [0,0,0,0,0,0|2,0,2]=4 30 B7R0.5 NCCC(O)C(=O)O CS21759 [0,0,0,0,0,0|2,0,2]=4 31 B6R0.1 C#CC(=O)OCC MC434052 [1,0,0,0,0,0|1,0,2]=4 32 B6R0.1 CCCC(=O)NN CS22544 [1,0,0,0,0,0|2,0,0]=3 33 B6R0.1 CCNC(=O)NC MC428152 [1,0,0,0,0,0|2,0,0]=3 34 B6R0.1 CCOC(=O)CBr MC41907 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.1 CCOC(=O)CCl MC41910 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.1 CCOC(=O)CN CS15347 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.1 CCOC(=O)CO CS11386 [1,0,0,0,0,0|1,0,2]=4 38 B6R0.1 CCOC(=O)NN CS11383 [1,0,0,0,0,0|3,0,0]=4 39 B6R0.1 CNC(=O)CC#N CS18404 [1,0,0,0,0,0|2,0,1]=4 40 B6R0.1 CNC(=O)CCN MC112263 [1,0,0,0,0,0|2,0,0]=3 41 B6R0.1 CNCC(=O)OC MC438154 [1,0,0,0,0,0|2,0,0]=3 42 B6R0.1 COC(=O)CC#N MC428339 [1,0,0,0,0,0|2,0,1]=4 43 B6R0.1 COC(=O)CCBr CS18993 [1,0,0,0,0,0|2,0,0]=3 44 B6R0.1 COC(=O)CCN CS22266 [1,0,0,0,0,0|2,0,0]=3 45 B6R0.1 COCC(=O)NN CS11580 [1,0,0,0,0,0|3,0,0]=4 46 B6R0.1 C\C=C\C(=O)OC MC41953 [1,0,0,0,0,0|1,0,2]=4 47 B6R0.3 CCC(=O)C(=O)O CS21626 [1,0,0,0,0,0|1,0,0]=2 48 B6R0.3 CCC(Br)C(=O)O MC426015 [1,0,0,0,0,0|2,0,1]=4 49 B6R0.3 CCC(Cl)C(=O)O MC426016 [1,0,0,0,0,0|2,0,1]=4 50 B6R0.3 CCC(N)C(=O)O CS13661 [1,0,0,0,0,0|2,0,1]=4 51 B6R0.3 CCC(N)C(=O)O CS14054 [1,0,0,0,0,0|2,0,1]=4 52 B6R0.3 CCC(N)C(=O)O CS14084 [1,0,0,0,0,0|2,0,1]=4 53 B6R0.3 CCC(N)C(N)=O CS15891 [1,0,0,0,0,0|2,0,1]=4 54 B6R0.3 CCC(N)C(N)=O MC436006 [1,0,0,0,0,0|2,0,1]=4 55 B6R0.3 CN(C)C(=O)CBr CS14025 [1,0,0,0,0,0|3,0,0]=4 56 B6R0.3 CN(C)C(=O)CN CS21306 [1,0,0,0,0,0|3,0,0]=4 57 B6R0.3 CN(C)C(=O)CN MC116188 [1,0,0,0,0,0|3,0,0]=4 58 B6R0.3 CN(C)C(=O)CN MC437713 [1,0,0,0,0,0|3,0,0]=4 59 B6R0.3 CNC(=O)C(C)N MC436151 [1,0,0,0,0,0|2,0,1]=4 60 B6R0.3 COC(=O)C(C)Br CS14958 [1,0,0,0,0,0|2,0,1]=4 61 B6R0.3 COC(=O)C(C)C MC41931 [1,0,0,0,0,0|2,0,1]=4 62 B6R0.3 COC(=O)C(C)Cl CS15798 [1,0,0,0,0,0|2,0,1]=4 63 B6R0.3 COC(=O)C(C)N CS14901 [1,0,0,0,0,0|2,0,1]=4 64 B6R0.3 COC(=O)C(C)N CS16663 [1,0,0,0,0,0|2,0,1]=4 65 B6R0.3 COC(=O)C(C)N CS22242 [1,0,0,0,0,0|2,0,1]=4 66 B6R0.3 COC(=O)C(C)O MC20343 [1,0,0,0,0,0|1,0,2]=4 67 B6R0.3 COC(=O)C(N)=S MC430693 [1,0,0,0,0,0|2,1,0]=4 68 B6R0.3 CON(C)C(C)=O CS11789 [1,0,0,0,0,0|3,0,0]=4 69 B6R0.3 O=C([O-])C(=O)CBr MC34359 [1,0,0,0,0,0|2,0,0]=3 70 B6R0.4 CC(=O)CCCBr CS10305 [1,0,0,0,0,0|1,0,1]=3 71 B6R0.4 CC(=O)CCCCl CS10334 [1,0,0,0,0,0|1,0,1]=3 72 B6R0.4 CC(=O)NCCCl MC33011 [1,0,0,0,0,0|2,0,0]=3 73 B6R0.4 CC(C)=CC[Mg]Cl MC116049 [1,0,0,0,0,0|3,0,0]=4 74 B6R0.4 CC(C)=CC[Zn]Cl MC116080 [1,0,0,0,0,0|3,0,0]=4 75 B6R0.4 CCCCC(=O)Cl MC40508 [1,0,0,0,0,0|1,0,1]=3 76 B6R0.4 CO\C=C\C(C)=O MC33352 [1,0,0,0,0,0|1,0,1]=3 77 B6R0.4 NCCCC(=O)O CS14998 [1,0,0,0,0,0|2,0,1]=4 78 B6R0.4 NCCCC(N)=O MC112262 [1,0,0,0,0,0|2,0,1]=4 79 B6R0.4 O=C(Cl)CCCCl MC40450 [1,0,0,0,0,0|2,0,1]=4 80 B6R0.4 O=C(O)CCCBr CS14053 [1,0,0,0,0,0|2,0,1]=4 81 B8R0.2 CCC(C)C(N)C(=O)O MC20633 [0,1,0,0,0,0|2,0,1]=4 82 B8R0.2 CCC(C)C(N)C(=O)O MC437790 [0,1,0,0,0,0|2,0,1]=4 83 B8R0.2 CCC(C)C(N)C(=O)O MC437791 [0,1,0,0,0,0|2,0,1]=4 84 B8R0.2 CCC(C)C(N)C(=O)O MC437792 [0,1,0,0,0,0|2,0,1]=4 85 B8R0.2 CCC(C)C(N)C(=O)O MC437793 [0,1,0,0,0,0|2,0,1]=4 86 B8R0.2 CCC(C)C(N)C(=O)O MC437794 [0,1,0,0,0,0|2,0,1]=4 87 B8R0.2 CCC(C)C(N)C(N)=O MC437802 [0,1,0,0,0,0|2,0,1]=4 88 B8R0.3 C=C(CBr)C(=O)OCC CS11325 [0,1,0,0,0,0|2,0,0]=3 89 B8R0.3 C=C(CO)C(=O)OCC CS20908 [0,1,0,0,0,0|2,0,0]=3 90 B8R0.3 CCCC(N)C(=O)OC MC438026 [0,1,0,0,0,0|1,0,1]=3 91 B8R0.3 CCNC(=O)C(N)CC MC116564 [0,1,0,0,0,0|2,0,1]=4 92 B8R0.3 CCNC(=O)C(N)CC MC116565 [0,1,0,0,0,0|2,0,1]=4 93 B8R0.3 CCOC(=O)C(=O)CBr CS18430 [0,1,0,0,0,0|1,0,0]=2 94 B8R0.3 CCOC(=O)C(=O)CC CS13439 [0,1,0,0,0,0|1,0,0]=2 95 B8R0.3 CCOC(=O)C(=O)NN CS13814 [0,1,0,0,0,0|2,0,0]=3 96 B8R0.3 CCOC(=O)C(C)C#N CS21515 [0,1,0,0,0,0|2,0,1]=4 97 B8R0.3 CCOC(=O)C(Cl)C=O MC444619 [0,1,0,0,0,0|2,0,1]=4 98 B8R0.3 CCOC(=O)C(N)CO CS13449 [0,1,0,0,0,0|2,0,1]=4 99 B8R0.3 CCOC(=O)C(N)CO CS17107 [0,1,0,0,0,0|2,0,1]=4 100 B8R0.3 CCOC(=O)C(N)CO MC439193 [0,1,0,0,0,0|2,0,1]=4 101 B8R0.3 CCOC(=O)C(N)CS CS16176 [0,1,0,0,0,0|2,0,1]=4 102 B8R0.3 CCOC(=O)\C(Cl)=N/O CS16217 [0,1,0,0,0,0|2,0,1]=4 103 B8R0.3 COC(=O)C(Br)CCBr MC41887 [0,1,0,0,0,0|2,0,1]=4 104 B8R0.3 CO\C=C(\I)C(=O)OC MC102977 [0,1,0,0,0,0|2,0,1]=4 105 B8R0.8 CCCCC(N)C(=O)O MC428079 [0,1,0,0,0,0|2,0,1]=4 106 B8R0.8 CCCCC(N)C(=O)O MC428113 [0,1,0,0,0,0|2,0,1]=4 107 B8R0.8 CCCCC(N)C(=O)O MC428121 [0,1,0,0,0,0|2,0,1]=4 108 B8R0.8 CCCCC(N)C(N)=O MC438017 [0,1,0,0,0,0|2,0,1]=4 109 B8R0.8 CN(C)C(=O)CCCN MC112306 [0,1,0,0,0,0|2,0,0]=3 110 B8R0.8 CSCCC(N)C(=O)O CS18644 [0,1,0,0,0,0|2,0,1]=4 111 B8R0.8 CSCCC(N)C(=O)O MC428038 [0,1,0,0,0,0|2,0,1]=4 112 B8R0.8 CSCCC(N)C(=O)O MC428332 [0,1,0,0,0,0|2,0,1]=4 113 B8R0.8 CSCCC(N)C(N)=O MC437951 [0,1,0,0,0,0|2,0,1]=4 114 B8R0.8 CSCCC(N)C(N)=O MC439009 [0,1,0,0,0,0|2,0,1]=4 115 B8R0.8 C[Se]CCC(N)C(=O)O MC435432 [0,1,0,0,0,0|2,0,1]=4 116 B8R0.8 C[Se]CCC(N)C(=O)O MC435562 [0,1,0,0,0,0|2,0,1]=4 117 B8R0.8 NCCCC(N)C(=O)O CS22279 [0,1,0,0,0,0|2,0,1]=4 118 B8R0.8 NCCCC(N)C(=O)O MC438045 [0,1,0,0,0,0|2,0,1]=4 119 B8R0.8 NCCCC(N)C(=O)O MC439200 [0,1,0,0,0,0|2,0,1]=4 120 B8R0.14 CCOC(=O)C(C)(C)N CS18617 [0,1,0,0,0,0|2,0,1]=4 121 B8R0.15 CCCC(NC)C(=O)O MC435490 [0,1,0,0,0,0|2,0,1]=4 122 B8R0.15 CCCC(NC)C(=O)O MC437925 [0,1,0,0,0,0|2,0,1]=4 123 B8R0.23 CC(=O)CC(=O)C(C)C MC41930 [0,1,0,0,0,0|1,0,2]=4 124 B8R0.23 CC(C)CC(Br)C(=O)O CS14792 [0,1,0,0,0,0|2,0,1]=4 125 B8R0.23 CC(C)CC(N)C(=O)O CS18600 [0,1,0,0,0,0|2,0,1]=4 126 B8R0.23 CC(C)CC(N)C(=O)O CS18604 [0,1,0,0,0,0|2,0,1]=4 127 B8R0.23 CC(C)CC(N)C(=O)O CS22248 [0,1,0,0,0,0|2,0,1]=4 128 B8R0.23 CC(C)CC(N)C(N)=O MC437832 [0,1,0,0,0,0|2,0,1]=4 129 B8R0.23 CC(C)CC(N)C(N)=O MC437833 [0,1,0,0,0,0|2,0,1]=4 130 B8R0.23 CC(C)CC(N)C(N)=O MC437834 [0,1,0,0,0,0|2,0,1]=4 131 B8R0.23 CC(C)CC(N)C(N)=O MC437835 [0,1,0,0,0,0|2,0,1]=4 132 B8R0.23 CC(C)CC(N)C(N)=O MC437836 [0,1,0,0,0,0|2,0,1]=4 133 B8R0.23 CC(C)CC(O)C(=O)O MC426019 [0,1,0,0,0,0|1,0,2]=4 134 B8R0.23 CC(C)CC(O)C(=O)O MC437768 [0,1,0,0,0,0|1,0,2]=4 135 B8R0.23 CC(C)CC(O)C(=O)O MC446675 [0,1,0,0,0,0|1,0,2]=4 136 B8R0.23 CC(C)OC(=O)C(C)N CS14281 [0,1,0,0,0,0|2,0,1]=4 137 B8R0.23 CC(C)OC(=O)C(C)N MC436161 [0,1,0,0,0,0|2,0,1]=4 138 B8R0.23 CC(C)OC(=O)C(C)N MC439194 [0,1,0,0,0,0|2,0,1]=4 139 B8R1.5 CC1=NCCCN1C MC20695 [0,0,0,1,0,0|3,0,0]=4 140 B8R1.5 CC1CCNCC1=O MC105562 [0,0,0,1,0,0|2,0,1]=4 141 B8R1.5 CC1CNCCC1=O MC106748 [0,0,0,1,0,0|2,0,1]=4 142 B8R1.5 CC1COCCC1=O MC425868 [0,0,0,1,0,0|2,0,1]=4 143 B8R1.5 CN1CCNCC1=O CS17040 [0,0,0,1,0,0|3,0,0]=4 144 B8R1.5 CN1CCNCC1=O CS18390 [0,0,0,1,0,0|3,0,0]=4 145 B8R1.5 NC1CCCNC1=O MC106744 [0,0,0,1,0,0|2,0,1]=4 146 B8R1.5 O=C1CCCC=C1I MC106097 [0,0,0,1,0,0|1,0,1]=3 147 B8R1.5 O=C1CCCCC1=O CS20486 [0,0,0,1,0,0|0,0,0]=1 148 B8R1.5 O=C1CCNCC1Br MC106749 [0,0,0,1,0,0|2,0,1]=4 149 B8R1.5 O=C1NCCCC1Br CS14644 [0,0,0,1,0,0|2,0,1]=4 150 B8R1.5 O=C1NCCCC1O CS19689 [0,0,0,1,0,0|1,0,2]=4 151 B8R1.5 O=C1OCCCC1O CS16147 [0,0,0,1,0,0|1,0,2]=4 152 B8R1.7 CC(=O)C1CCCC1 CS20673 [0,0,0,1,0,0|1,0,1]=3 153 B8R1.7 CC(=O)C1CCCC1 MC445790 [0,0,0,1,0,0|1,0,1]=3 154 B8R1.7 NC(=O)C1CCCN1 CS22629 [0,0,0,1,0,0|2,0,1]=4 155 B8R1.7 NC(=O)C1CCCN1 MC438122 [0,0,0,1,0,0|2,0,1]=4 156 B8R1.7 NC(=O)C1CCCN1 MC438123 [0,0,0,1,0,0|2,0,1]=4 157 B8R1.7 NC(=O)C1CCCN1 MC438124 [0,0,0,1,0,0|2,0,1]=4 158 B8R1.7 NC(=O)C1CCCN1 MC438125 [0,0,0,1,0,0|2,0,1]=4 159 B8R1.7 O=C(O)C1CCCN1 CS18287 [0,0,0,1,0,0|2,0,1]=4 160 B8R1.7 O=C(O)C1CCCN1 CS18742 [0,0,0,1,0,0|2,0,1]=4 161 B8R1.7 O=C(O)C1CCCN1 CS22249 [0,0,0,1,0,0|2,0,1]=4 162 B8R1.7 O=C(O)C1CCCO1 CS16192 [0,0,0,1,0,0|1,0,2]=4 163 B8R1.7 O=C(O)C1CCCO1 CS18232 [0,0,0,1,0,0|1,0,2]=4 164 B8R1.7 O=C(O)C1CCCO1 MC20393 [0,0,0,1,0,0|1,0,2]=4 165 B8R1.18 CC1=NN(C)C(=O)C1 CS17716 [0,0,0,1,0,0|2,0,1]=4 166 B8R1.18 CN1CC(N)CC1=O MC104828 [0,0,0,1,0,0|3,0,0]=4 167 B8R1.18 CN1CC(O)CC1=O MC111393 [0,0,0,1,0,0|3,0,0]=4 168 B8R1.23 CC1CC(C(=O)O)C1 CS15188 [0,0,0,1,0,0|2,0,1]=4 169 B8R1.23 CC1CC(C(=O)O)C1 MC101958 [0,0,0,1,0,0|2,0,1]=4 170 B8R1.23 CC1CC(C(=O)O)C1 MC101959 [0,0,0,1,0,0|2,0,1]=4 171 B8R1.54 O=C(O)C(=O)C1CC1 CS15905 [0,0,0,1,0,0|1,0,0]=2 172 B8R1.54 O=C([O-])C(=O)C1CC1 MC121058 [0,0,0,1,0,0|1,0,0]=2 173 B8R1.78 CC(=O)C1(C)COC1 MC444075 [0,0,0,1,0,0|2,0,1]=4 174 B8R1.78 CC1(C(=O)O)CCC1 MC21173 [0,0,0,1,0,0|2,0,1]=4 175 B8R1.78 NC(=O)C1(N)CCC1 MC106178 [0,0,0,1,0,0|2,0,1]=4 176 B8R1.78 NC1(C(=O)O)CCC1 CS20591 [0,0,0,1,0,0|2,0,1]=4 177 B8R0.5 CCOC(=O)C=C(C)C CS11345 [0,0,0,0,0,1|2,0,0]=3 178 B8R0.5 CCOC(=O)CC(=N)N MC41916 [0,0,0,0,0,1|3,0,0]=4 179 B8R0.5 CCOC(=O)CC(=O)Cl MC20855 [0,0,0,0,0,1|2,0,0]=3 180 B8R0.5 CCOC(=O)CC(C)=O MC41905 [0,0,0,0,0,1|1,0,0]=2 181 B8R0.5 CCOC(=O)CC(C)O CS11353 [0,0,0,0,0,1|1,0,2]=4 182 B8R0.5 CCOC(=O)CC(C)O CS18545 [0,0,0,0,0,1|1,0,2]=4 183 B8R0.5 CCOC(=O)CC(N)=O CS18301 [0,0,0,0,0,1|2,0,0]=3 184 B8R0.5 CCOC(=O)C[N+](=O)[O-] CS22612 [0,0,0,0,0,1|3,0,0]=4 185 B8R0.5 CCOC(=O)OC(C)Cl CS20668 [0,0,0,0,0,1|2,0,1]=4 186 B8R0.5 CCOC(=O)\C=C(/C)N CS15795 [0,0,0,0,0,1|2,0,0]=3 187 B5R0.1 C=C(C)CCBr CS14513 [2,0,0,0,0,0|2,0,0]=4 188 B5R0.1 CC(=O)\C=N\O CS11520 [2,0,0,0,0,0|2,0,0]=4 189 B5R0.1 CC(=O)\C=N\O CS18968 [2,0,0,0,0,0|2,0,0]=4 190 B5R0.1 CC(C)=CCBr MC41900 [2,0,0,0,0,0|2,0,0]=4 191 B5R0.1 CCCC(C)=O CS21731 [2,0,0,0,0,0|0,0,0]=2 192 B5R0.1 CCC[N+](=O)[O-] MC428297 [2,0,0,0,0,0|1,0,1]=4 193 B5R0.1 CNCC(=O)O CS18595 [2,0,0,0,0,0|1,0,1]=4 194 B5R0.1 CNCC(N)=O MC438151 [2,0,0,0,0,0|2,0,0]=4 195 B5R0.1 COCC(=O)Cl MC40491 [2,0,0,0,0,0|2,0,0]=4 196 B5R0.1 COCC(=O)O CS11579 [2,0,0,0,0,0|1,0,1]=4 197 B5R0.1 COCC(N)=O MC41924 [2,0,0,0,0,0|2,0,0]=4 198 B5R0.1 CSCC(=O)Cl MC106201 [2,0,0,0,0,0|2,0,0]=4 199 B5R0.1 CSCC(N)=O CS12608 [2,0,0,0,0,0|2,0,0]=4 200 B5R0.1 C\C=C\C(=O)O MC41882 [2,0,0,0,0,0|1,0,1]=4 201 B5R0.1 NCCC(=O)O CS13499 [2,0,0,0,0,0|1,0,1]=4 202 B5R0.1 NCCC(N)=O MC436150 [2,0,0,0,0,0|2,0,0]=4 203 B5R0.1 O=C(O)CCO MC20638 [2,0,0,0,0,0|1,0,1]=4 204 B5R0.2 C\C=C\C[Pd]Cl MC444919 [2,0,0,0,0,0|2,0,0]=4 205 B5R0.3 CNC(=O)CCl MC21094 [2,0,0,0,0,0|2,0,0]=4 206 B5R0.3 CNC(=O)CN MC437710 [2,0,0,0,0,0|2,0,0]=4 207 B5R0.3 COC(=O)CN CS15045 [2,0,0,0,0,0|2,0,0]=4 208 B5R0.3 COC(=O)CO CS19433 [2,0,0,0,0,0|2,0,0]=4 209 B5R0.3 COC(=O)CS MC20578 [2,0,0,0,0,0|2,0,0]=4 210 B5R0.3 O=CC(=O)CO MC427604 [2,0,0,0,0,0|1,0,0]=3 211 B5R0.5 CC(=O)C(=O)O MC41939 [2,0,0,0,0,0|1,0,0]=3 212 B5R0.5 NC(=O)C(N)=O MC20822 [2,0,0,0,0,0|2,0,0]=4 213 B5R0.5 O=C(O)C(=O)O CS11387 [2,0,0,0,0,0|2,0,0]=4 214 B5R0.5 O=C(O)C(=O)O MC425345 [2,0,0,0,0,0|2,0,0]=4 215 B5R0.5 O=C([O-])C(=O)[O-] MC114602 [2,0,0,0,0,0|2,0,0]=4 216 B7R0.2 CCC(=O)CC(C)=O CS21124 [1,1,0,0,0,0|0,0,2]=4 217 B7R0.2 COC(=O)CC(C)=O MC41927 [1,1,0,0,0,0|1,0,1]=4 218 B7R0.2 COC(=O)CC(C)O CS11584 [1,1,0,0,0,0|1,0,0]=3 219 B7R0.3 C#CCCC(=O)OC MC424002 [1,1,0,0,0,0|1,0,1]=4 220 B7R0.3 COC(=O)CCC=O MC21172 [1,1,0,0,0,0|1,0,1]=4 221 B7R0.3 COC(=O)CCCBr MC427387 [1,1,0,0,0,0|1,0,0]=3 222 B7R0.3 COC(=O)CCCN MC439309 [1,1,0,0,0,0|1,0,0]=3 223 B7R0.3 COCCC(=O)NN MC111753 [1,1,0,0,0,0|2,0,0]=4 224 B7R0.7 CC#CC(=O)OCC CS10117 [1,1,0,0,0,0|1,0,1]=4 225 B7R0.7 CCOC(=O)CCN CS14330 [1,1,0,0,0,0|1,0,1]=4 226 B7R0.7 CCOC(=O)CNC CS17068 [1,1,0,0,0,0|1,0,1]=4 227 B7R0.7 CCOC(=O)COC CS11389 [1,1,0,0,0,0|1,0,1]=4 228 B7R0.7 O=C(CCCl)CCCl CS19912 [1,1,0,0,0,0|1,0,1]=4 229 B7R0.10 CCC(Br)C(=O)OC CS14136 [1,1,0,0,0,0|1,0,0]=3 230 B7R0.10 CCC(N)C(=O)OC MC436010 [1,1,0,0,0,0|1,0,0]=3 231 B7R0.10 CNC(C)C(=O)OC MC437898 [1,1,0,0,0,0|2,0,0]=4 232 B7R0.10 COC(=O)C(C)CBr MC428281 [1,1,0,0,0,0|2,0,0]=4 233 B7R0.10 COC(=O)C(F)CO CS17081 [1,1,0,0,0,0|2,0,0]=4 234 B7R0.10 COC(=O)C(N)CCl CS22615 [1,1,0,0,0,0|2,0,0]=4 235 B7R0.10 COC(=O)C(N)CCl MC418493 [1,1,0,0,0,0|2,0,0]=4 236 B7R0.10 COC(=O)C(N)CCl MC436854 [1,1,0,0,0,0|2,0,0]=4 237 B7R0.10 COC(=O)C(N)CO CS16778 [1,1,0,0,0,0|2,0,0]=4 238 B7R0.10 COC(=O)C(N)CO CS16785 [1,1,0,0,0,0|2,0,0]=4 239 B7R0.10 COC(=O)C(N)CO CS22621 [1,1,0,0,0,0|2,0,0]=4 240 B7R0.10 COC(=O)C(N)CS CS13863 [1,1,0,0,0,0|2,0,0]=4 241 B7R0.10 COC(=O)C(N)CS MC110561 [1,1,0,0,0,0|2,0,0]=4 242 B7R0.10 COC(=O)C(O)CO MC429048 [1,1,0,0,0,0|2,0,0]=4 243 B7R0.15 CCC(CC)C(C)=O MC425625 [1,1,0,0,0,0|1,0,1]=4 244 B7R0.16 CC(C)C(=O)C(=O)[O-] CS22357 [1,1,0,0,0,0|1,0,0]=3 245 B7R0.16 CC(C)C(=O)N(C)C MC41952 [1,1,0,0,0,0|2,0,0]=4 246 B7R0.16 CN(C)C(=O)C(=O)O CS11735 [1,1,0,0,0,0|2,0,0]=4 247 B7R0.16 O=C(O)C(=O)C(Br)Br CS18490 [1,1,0,0,0,0|2,0,0]=4 248 B7R0.4 CC#CCOC(C)=O MC434061 [1,1,0,0,0,0|1,0,1]=4 249 B7R0.4 CC(=O)CCCCBr CS10627 [1,1,0,0,0,0|0,0,1]=3 250 B7R0.4 CCCOCC(=O)O MC425744 [1,1,0,0,0,0|1,0,1]=4 251 B7R0.4 CCC\C=C\C(C)=O MC20875 [1,1,0,0,0,0|0,0,0]=2 252 B7R0.4 CCO\C=C\C(=O)Cl MC425808 [1,1,0,0,0,0|1,0,1]=4 253 B7R0.4 CCO\C=C\C(=O)Cl MC427603 [1,1,0,0,0,0|1,0,1]=4 254 B7R0.4 CCO\C=C\C(=O)O CS22271 [1,1,0,0,0,0|1,0,1]=4 255 B7R0.4 NCCCCC(=O)O MC428108 [1,1,0,0,0,0|1,0,1]=4 256 B7R0.4 O=C(O)CCCCBr MC41866 [1,1,0,0,0,0|1,0,1]=4 257 B7R0.6 CC(C)CCC(=O)Cl MC20895 [1,1,0,0,0,0|1,0,1]=4 258 B7R0.6 CC(N)CCC(=O)O MC435302 [1,1,0,0,0,0|1,0,1]=4 259 B9R0.6 CCOC(=O)C(C)C(C)=O CS19187 [0,1,0,0,0,1|1,0,0]=3 260 B9R0.6 CCOC(=O)C(F)C(C)=O MC32203 [0,1,0,0,0,1|1,0,0]=3 261 B9R0.23 COC(=O)C(=O)CC(C)=O MC446700 [0,1,0,0,0,1|1,0,1]=4 262 B9R0.34 CCOC(=O)CC(=O)CBr CS13599 [0,1,0,0,0,1|1,0,0]=3 263 B9R0.34 CCOC(=O)CC(=O)CC CS11391 [0,1,0,0,0,1|1,0,0]=3 264 B9R0.34 CCOC(=O)CC(=O)CN MC116410 [0,1,0,0,0,1|1,0,0]=3 265 B9R0.34 CCOC(=O)CC(=O)NC MC106824 [0,1,0,0,0,1|1,0,0]=3 266 B9R0.34 CCOC(=O)CC(=O)NN MC33013 [0,1,0,0,0,1|2,0,0]=4 267 B9R0.34 COCC(=O)CC(=O)OC MC20562 [0,1,0,0,0,1|1,0,0]=3 268 B9R0.53 C\C(N)=C\C(=O)OC(C)C CS10135 [0,1,0,0,0,1|2,0,0]=4 269 B9R0.27 CCC(C)C(N)C(=O)OC CS13864 [0,2,0,0,0,0|1,0,1]=4 270 B9R0.8 CCCCC(N)C(=O)OC MC438018 [0,2,0,0,0,0|1,0,1]=4 271 B9R0.8 CCCCC(N)C(=O)OC MC438019 [0,2,0,0,0,0|1,0,1]=4 272 B9R0.8 COC(=O)C(N)CCCN MC438048 [0,2,0,0,0,0|1,0,1]=4 273 B9R0.8 COC(=O)C(N)CCSC MC437955 [0,2,0,0,0,0|1,0,1]=4 274 B9R0.8 COC(=O)C(N)CCSC MC437956 [0,2,0,0,0,0|1,0,1]=4 275 B9R0.8 COC(=O)C(N)CCSC MC439011 [0,2,0,0,0,0|1,0,1]=4 276 B9R0.35 CCCC(=O)C(=O)OCC CS14582 [0,2,0,0,0,0|0,0,0]=2 277 B9R0.35 CCCC(N)C(=O)OCC MC439184 [0,2,0,0,0,0|1,0,1]=4 278 B9R0.35 CCOC(=N)C(=O)OCC CS13440 [0,2,0,0,0,0|2,0,0]=4 279 B9R0.35 CCOC(=O)C(=O)OCC MC41888 [0,2,0,0,0,0|1,0,0]=3 280 B9R0.7 O=C(O)CCC(=O)C(=O)O CS14149 [0,2,0,0,0,0|1,0,1]=4 281 B9R0.42 COC(=O)CC(=O)C(=O)O MC442592 [0,2,0,0,0,0|1,0,1]=4 282 B9R0.47 C=C(C)C(=O)NCCCN CS11712 [0,2,0,0,0,0|1,0,0]=3 283 B9R0.47 CCCCOC(=O)C(C)N CS15628 [0,2,0,0,0,0|1,0,1]=4 284 B9R0.33 CCCC(C(=O)O)C(=O)O CS11891 [0,2,0,0,0,0|1,0,1]=4 285 B7R1.1 COC1=NCCC1 CS10423 [1,0,0,1,0,0|2,0,0]=4 286 B7R1.1 O=CC1=CCCC1 CS12865 [1,0,0,1,0,0|1,0,0]=3 287 B7R1.1 O=CC1CCCC1 MC21048 [1,0,0,1,0,0|1,0,1]=4 288 B7R1.2 CC1COC(=O)N1 CS14300 [1,0,0,1,0,0|2,0,0]=4 289 B7R1.2 CC1COC(=O)O1 MC428298 [1,0,0,1,0,0|2,0,0]=4 290 B7R1.2 CN1CCC(=O)C1 CS20760 [1,0,0,1,0,0|1,0,1]=4 291 B7R1.2 NC1CNC(=O)C1 MC103473 [1,0,0,1,0,0|2,0,0]=4 292 B7R1.2 NC1COC(=O)C1 CS14340 [1,0,0,1,0,0|2,0,0]=4 293 B7R1.2 NC1COC(=O)C1 CS14674 [1,0,0,1,0,0|2,0,0]=4 294 B7R1.2 O=C1CC(O)CN1 CS14706 [1,0,0,1,0,0|2,0,0]=4 295 B7R1.2 O=C1CC(O)CN1 CS16472 [1,0,0,1,0,0|2,0,0]=4 296 B7R1.2 O=C1CCC(I)C1 MC115016 [1,0,0,1,0,0|1,0,1]=4 297 B7R1.3 O=C1C=CCCC1 MC41883 [1,0,0,1,0,0|0,0,1]=3 298 B7R1.3 O=C1C=CCCN1 CS15771 [1,0,0,1,0,0|1,0,1]=4 299 B7R1.3 O=C1C=CCOC1 CS17023 [1,0,0,1,0,0|1,0,1]=4 300 B7R1.3 O=C1CCCCN1 MC429045 [1,0,0,1,0,0|1,0,0]=3 301 B7R1.3 O=C1CCCCO1 CS11208 [1,0,0,1,0,0|1,0,0]=3 302 B7R1.3 O=C1CCCNC1 CS14768 [1,0,0,1,0,0|1,0,1]=4 303 B7R1.3 O=C1CCCNC1 CS17767 [1,0,0,1,0,0|1,0,1]=4 304 B7R1.3 O=C1CCCOC1 MC31097 [1,0,0,1,0,0|0,0,2]=4 305 B7R1.3 O=C1CCNCC1 CS22790 [1,0,0,1,0,0|1,0,1]=4 306 B7R1.3 O=C1CCOCC1 CS13380 [1,0,0,1,0,0|1,0,1]=4 307 B7R1.3 O=C1CCSCC1 CS18797 [1,0,0,1,0,0|1,0,1]=4 308 B7R1.3 O=C1CNCCN1 CS19142 [1,0,0,1,0,0|2,0,0]=4 309 B7R1.3 O=C1CNCCO1 MC441004 [1,0,0,1,0,0|2,0,0]=4 310 B7R1.3 O=C1COCCN1 CS11697 [1,0,0,1,0,0|2,0,0]=4 311 B7R1.3 O=C1COCCO1 MC20725 [1,0,0,1,0,0|2,0,0]=4 312 B7R1.4 CC1OCCC1=O CS14135 [1,0,0,1,0,0|1,0,1]=4 313 B7R1.4 CN1CCCC1=O MC41699 [1,0,0,1,0,0|1,0,0]=3 314 B7R1.4 O=C1CCC=C1O CS14654 [1,0,0,1,0,0|0,0,2]=4 315 B7R1.4 O=C1CCCC1Br MC445112 [1,0,0,1,0,0|1,0,1]=4 316 B7R1.8 O=C1CCC1CO MC104211 [1,0,0,1,0,0|1,0,1]=4 317 B7R1.8 O=C1CCC1CO MC104212 [1,0,0,1,0,0|1,0,1]=4 318 B7R1.8 O=C1CCC1CO MC104213 [1,0,0,1,0,0|1,0,1]=4 319 B7R1.22 COC(=O)C1CC1 MC41839 [1,0,0,1,0,0|1,0,0]=3 320 B7R1.22 O=C(CBr)C1CC1 MC433212 [1,0,0,1,0,0|1,0,1]=4 321 B7R1.20 O=C(O)CC1CC1 MC433946 [1,0,0,1,0,0|1,0,1]=4 322 B9R1.7 CCOC1=CC(=O)CC1 MC425592 [0,0,0,1,0,1|2,0,0]=4 323 B9R1.34 CC1CC(=O)CC(=O)C1 CS19597 [0,0,0,1,0,1|0,0,0]=2 324 B9R1.34 CC1CC(=O)CC(C)O1 MC425912 [0,0,0,1,0,1|0,0,2]=4 325 B9R1.41 O=C(Cl)C1CCCC1=O MC106033 [0,0,0,1,0,1|1,0,0]=3 326 B9R1.41 O=C(O)C1CCNC1=O MC105243 [0,0,0,1,0,1|2,0,0]=4 327 B9R1.48 O=C1CCCCC(=O)C1 CS20375 [0,0,0,1,0,1|0,0,0]=2 328 B9R1.48 O=C1CCCNC(=O)C1 MC428135 [0,0,0,1,0,1|1,0,0]=3 329 B9R1.66 CC1(C)CCCC(=O)C1 MC10482 [0,0,0,1,0,1|1,0,1]=4 330 B9R1.3 CC1C(=O)CCCC1=O CS10132 [0,1,0,1,0,0|0,0,1]=3 331 B9R1.3 CN1C(=O)CCCC1=O MC446647 [0,1,0,1,0,0|1,0,0]=3 332 B9R1.3 CN1CCCC(N)C1=O MC103467 [0,1,0,1,0,0|1,0,1]=4 333 B9R1.3 CN1CCCC(N)C1=O MC104792 [0,1,0,1,0,0|1,0,1]=4 334 B9R1.3 CN1CCCC(N)C1=O MC106967 [0,1,0,1,0,0|1,0,1]=4 335 B9R1.3 CN1CCCN(C)C1=O CS14637 [0,1,0,1,0,0|2,0,0]=4 336 B9R1.3 CN1CCNC(=O)C1=O MC111667 [0,1,0,1,0,0|1,0,0]=3 337 B9R1.101 COC(=O)C(N)C1CC1 MC106086 [0,1,0,1,0,0|1,0,1]=4 338 B9R1.101 CON(C)C(=O)C1CC1 MC425291 [0,1,0,1,0,0|1,0,1]=4 339 B9R1.110 CN(C)C(=O)C1CNC1 MC113079 [0,1,0,1,0,0|2,0,0]=4 340 B9R1.5 CN1CCCNCC1=O MC100103 [0,1,0,1,0,0|2,0,0]=4 341 B9R1.5 NC1CCCCNC1=O CS15569 [0,1,0,1,0,0|1,0,1]=4 342 B9R1.5 NC1CCCCNC1=O CS15816 [0,1,0,1,0,0|1,0,1]=4 343 B9R1.5 NC1CCCCNC1=O MC425745 [0,1,0,1,0,0|1,0,1]=4 344 B9R1.11 COC(=O)C1=CCCC1 CS18911 [0,1,0,1,0,0|1,0,0]=3 345 B9R1.11 COC(=O)C1CCCN1 CS11440 [0,1,0,1,0,0|1,0,1]=4 346 B9R1.11 COC(=O)C1CCCN1 CS18447 [0,1,0,1,0,0|1,0,1]=4 347 B9R1.11 COC(=O)C1CCCN1 MC438131 [0,1,0,1,0,0|1,0,1]=4 348 B9R1.15 N#CC1CCCCC1=O MC33325 [0,1,0,1,0,0|1,0,1]=4 349 B9R1.15 O=CC1=C(Cl)CCCC1 MC107245 [0,1,0,1,0,0|1,0,0]=3 350 B9R1.69 CC1CN(C)C(=O)CN1 MC104410 [0,1,0,1,0,0|2,0,0]=4 351 B9R1.69 CC1CN(C)C(=O)CN1 MC105415 [0,1,0,1,0,0|2,0,0]=4 352 B9R1.69 CN1CC(N)CCC1=O MC104028 [0,1,0,1,0,0|2,0,0]=4 353 B9R1.69 CN1CC(N)CCC1=O MC444375 [0,1,0,1,0,0|2,0,0]=4 354 B9R1.69 CN1CCC(N)CC1=O MC105288 [0,1,0,1,0,0|2,0,0]=4 355 B9R1.186 COC(=O)C1(N)CCC1 CS11175 [0,1,0,1,0,0|1,0,1]=4 356 B9R1.6 CC(=O)C1C=CCCC1 MC430670 [0,1,0,1,0,0|1,0,1]=4 357 B9R1.6 CC(=O)C1CCOCC1 CS13055 [0,1,0,1,0,0|1,0,1]=4 358 B9R1.6 CC(=O)N1CCNCC1 CS18512 [0,1,0,1,0,0|2,0,0]=4 359 B9R1.6 O=C(Cl)C1=CCOCC1 MC106029 [0,1,0,1,0,0|2,0,0]=4 360 B9R1.6 O=C(O)C1=CCOCC1 MC105969 [0,1,0,1,0,0|2,0,0]=4 361 B9R1.40 CC1(C)CCCOC1=O MC112082 [0,1,0,1,0,0|1,0,1]=4 362 B9R1.40 CC1(C)COCCC1=O CS16380 [0,1,0,1,0,0|1,0,1]=4 363 B9R1.95 CC(=O)N1CC(CO)C1 MC111767 [0,1,0,1,0,0|2,0,0]=4 364 B9R1.164 CC1(C)C=C(C(=O)O)C1 MC101960 [0,1,0,1,0,0|2,0,0]=4 365 B9R2.109 O=C1CCCC2CC12 MC102253 [0,0,0,2,0,0|1,0,1]=4 366 B9R0.48 CCOC(=O)CCC(=O)Cl MC40471 [0,0,0,0,0,2|2,0,0]=4 367 B9R0.48 CCOC(=O)CCC(=O)O CS11693 [0,0,0,0,0,2|2,0,0]=4 368 B9R0.48 CCOC(=O)CNC(C)=O MC439004 [0,0,0,0,0,2|1,0,0]=3