0 B5R0.1 C=C(C)CCBr CS14513 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.1 C=C(Cl)C[Zn]Cl MC116066 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 C=C(Cl)C[Zn]Cl MC116067 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.1 CC#CC(=O)O MC20776 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.1 CC(=O)\C=N\O CS11520 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.1 CC(=O)\C=N\O CS18968 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.1 CC(C)=CCBr MC41900 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.1 CC(C)CC=O CS11530 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.1 CC(N)CCO CS14355 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.1 CC(N)CCO CS14356 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.1 CC(N)CCO CS22096 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.1 CC(O)CON CS17735 [0,0,0,0,0,0|1,1,2]=4 12 B5R0.1 CCCB(O)O CS14802 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.1 CCCC(C)=O CS21731 [0,0,0,0,0,0|1,0,0]=1 14 B5R0.1 CCC[N+](=O)[O-] MC428297 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.1 CCOC(=N)N CS11818 [0,0,0,0,0,0|4,0,0]=4 16 B5R0.1 CN(C)CC=O CS17734 [0,0,0,0,0,0|4,0,0]=4 17 B5R0.1 CN(C)CCBr CS10949 [0,0,0,0,0,0|4,0,0]=4 18 B5R0.1 CN(C)CCCl CS14471 [0,0,0,0,0,0|4,0,0]=4 19 B5R0.1 CN(C)CCCl CS17225 [0,0,0,0,0,0|4,0,0]=4 20 B5R0.1 CN(C)CCN CS18603 [0,0,0,0,0,0|4,0,0]=4 21 B5R0.1 CN(C)CCO CS11733 [0,0,0,0,0,0|4,0,0]=4 22 B5R0.1 CNCC(=O)O CS18595 [0,0,0,0,0,0|2,0,0]=2 23 B5R0.1 CNCC(N)=O MC438151 [0,0,0,0,0,0|2,0,0]=2 24 B5R0.1 COCC(=O)Cl MC40491 [0,0,0,0,0,0|1,1,0]=2 25 B5R0.1 COCC(=O)O CS11579 [0,0,0,0,0,0|1,1,0]=2 26 B5R0.1 COCC(C)N CS15401 [0,0,0,0,0,0|1,1,1]=3 27 B5R0.1 COCC(C)O CS20249 [0,0,0,0,0,0|0,1,2]=3 28 B5R0.1 COCC(C)O CS20309 [0,0,0,0,0,0|0,1,2]=3 29 B5R0.1 COCC(C)O CS20741 [0,0,0,0,0,0|0,1,2]=3 30 B5R0.1 COCC(N)=O MC41924 [0,0,0,0,0,0|1,1,0]=2 31 B5R0.1 COCC(N)=S MC102255 [0,0,0,0,0,0|1,2,0]=3 32 B5R0.1 CSCC(=O)Cl MC106201 [0,0,0,0,0,0|1,0,0]=1 33 B5R0.1 CSCC(N)=O CS12608 [0,0,0,0,0,0|1,0,0]=1 34 B5R0.1 C\C=C\C(=O)O MC41882 [0,0,0,0,0,0|2,0,1]=3 35 B5R0.1 N#CCC(=O)O MC41881 [0,0,0,0,0,0|3,0,0]=3 36 B5R0.1 N#CCC(N)=O CS18594 [0,0,0,0,0,0|3,0,0]=3 37 B5R0.1 N#CCC(N)=S MC428323 [0,0,0,0,0,0|3,1,0]=4 38 B5R0.1 NCCC(=O)O CS13499 [0,0,0,0,0,0|3,0,0]=3 39 B5R0.1 NCCC(N)=O MC436150 [0,0,0,0,0,0|3,0,0]=3 40 B5R0.1 O=C(O)CCO MC20638 [0,0,0,0,0,0|3,0,0]=3 41 B4R0.1 C#CC(=O)O MC428031 [1,0,0,0,0,0|1,0,2]=4 42 B4R0.1 C=CC(N)=O MC41857 [1,0,0,0,0,0|1,0,2]=4 43 B4R0.1 CC(=O)CBr MC20986 [1,0,0,0,0,0|1,0,0]=2 44 B4R0.1 CC(=O)CN CS10921 [1,0,0,0,0,0|1,0,0]=2 45 B4R0.1 CC(=O)CO CS11467 [1,0,0,0,0,0|0,1,0]=2 46 B4R0.1 CC(=O)NN CS10881 [1,0,0,0,0,0|2,0,0]=3 47 B4R0.1 CC(=O)NO CS14961 [1,0,0,0,0,0|1,1,0]=3 48 B4R0.1 CC(C)=NO CS10884 [1,0,0,0,0,0|2,1,0]=4 49 B4R0.1 CC(Cl)CO CS20251 [1,0,0,0,0,0|1,1,1]=4 50 B4R0.1 CC(Cl)CO MC428270 [1,0,0,0,0,0|1,1,1]=4 51 B4R0.1 CC(N)CN CS20323 [1,0,0,0,0,0|2,0,1]=4 52 B4R0.1 CC(N)CN MC10147 [1,0,0,0,0,0|2,0,1]=4 53 B4R0.1 CC(N)CO CS14182 [1,0,0,0,0,0|1,1,1]=4 54 B4R0.1 CC(N)CO CS19476 [1,0,0,0,0,0|1,1,1]=4 55 B4R0.1 CC(N)CO CS21310 [1,0,0,0,0,0|1,1,1]=4 56 B4R0.1 CC(O)CCl MC20696 [1,0,0,0,0,0|1,0,2]=4 57 B4R0.1 CC(O)CCl MC20697 [1,0,0,0,0,0|1,0,2]=4 58 B4R0.1 CC(O)CN CS14075 [1,0,0,0,0,0|1,0,2]=4 59 B4R0.1 CC(O)CO MC20330 [1,0,0,0,0,0|0,1,2]=4 60 B4R0.1 CCB(O)O CS13979 [1,0,0,0,0,0|2,0,1]=4 61 B4R0.1 CCC(C)O MC10786 [1,0,0,0,0,0|0,0,2]=3 62 B4R0.1 CCC(N)=O CS11886 [1,0,0,0,0,0|1,0,0]=2 63 B4R0.1 CNC(N)=O MC10792 [1,0,0,0,0,0|2,0,0]=3 64 B4R0.1 CNC(N)=S CS11797 [1,0,0,0,0,0|2,1,0]=4 65 B4R0.1 COC(N)=O CS11667 [1,0,0,0,0,0|1,1,0]=3 66 B4R0.1 COC(N)=[NH2+] CS11820 [1,0,0,0,0,0|2,1,0]=4 67 B4R0.1 CSC(=N)N MC41956 [1,0,0,0,0,0|2,0,0]=3 68 B4R0.1 C\C(N)=N\O CS10879 [1,0,0,0,0,0|2,1,0]=4 69 B4R0.1 C\C=C(/C)Br MC10255 [1,0,0,0,0,0|1,0,1]=3 70 B4R0.1 NC(=O)CBr CS21389 [1,0,0,0,0,0|2,0,0]=3 71 B4R0.1 NCC(=O)O CS19951 [1,0,0,0,0,0|2,0,0]=3 72 B4R0.1 NCC(=O)[O-] CS10910 [1,0,0,0,0,0|2,0,0]=3 73 B4R0.1 NCC(=O)[O-] MC20522 [1,0,0,0,0,0|2,0,0]=3 74 B4R0.1 NCC(N)=O CS13806 [1,0,0,0,0,0|2,0,0]=3 75 B4R0.1 NCC(N)=O MC437712 [1,0,0,0,0,0|2,0,0]=3 76 B4R0.1 NCS(=O)[O-] MC105927 [1,0,0,0,0,0|3,0,0]=4 77 B4R0.1 NNC(N)=O CS11949 [1,0,0,0,0,0|3,0,0]=4 78 B4R0.1 O=C(Cl)CBr MC21000 [1,0,0,0,0,0|2,0,0]=3 79 B4R0.1 O=C(O)CCl MC41871 [1,0,0,0,0,0|2,0,0]=3 80 B4R0.1 O=C(O)CO CS19334 [1,0,0,0,0,0|1,1,0]=3 81 B4R0.1 O=C([O-])CCl MC41872 [1,0,0,0,0,0|2,0,0]=3 82 B4R0.1 O=S([O-])CO CS11936 [1,0,0,0,0,0|2,1,0]=4 83 B4R0.2 C#CCNC MC41929 [1,0,0,0,0,0|1,0,2]=4 84 B4R0.2 C=CCNN MC107856 [1,0,0,0,0,0|2,0,1]=4 85 B4R0.2 C=CC[Pd]Cl MC444917 [1,0,0,0,0,0|2,0,1]=4 86 B4R0.2 C=COCC MC41915 [1,0,0,0,0,0|2,0,1]=4 87 B4R0.2 CCCC=O MC41868 [1,0,0,0,0,0|1,0,0]=2 88 B4R0.2 CCCCO MC41869 [1,0,0,0,0,0|1,0,2]=4 89 B4R0.2 CCC[Zn]Br MC121348 [1,0,0,0,0,0|2,0,1]=4 90 B4R0.2 CCNCC CS11240 [1,0,0,0,0,0|2,0,1]=4 91 B4R0.2 CCOC=N MC33024 [1,0,0,0,0,0|3,0,0]=4 92 B4R0.2 CCOC=O MC41912 [1,0,0,0,0,0|2,0,0]=3 93 B4R0.2 CCOCC MC41960 [1,0,0,0,0,0|2,0,1]=4 94 B4R0.2 CC[Zn]CC MC10752 [1,0,0,0,0,0|2,0,1]=4 95 B4R0.2 CNCC#N CS19888 [1,0,0,0,0,0|2,0,1]=4 96 B4R0.2 CNCCO CS20910 [1,0,0,0,0,0|1,0,2]=4 97 B4R0.2 COCC#N MC40783 [1,0,0,0,0,0|1,1,1]=4 98 B4R0.2 COCCCl MC428007 [1,0,0,0,0,0|1,1,1]=4 99 B4R0.2 C\C=C\C=O MC41879 [1,0,0,0,0,0|1,0,1]=3 100 B6R0.1 C#CC(=O)OCC MC434052 [0,1,0,0,0,0|2,0,1]=4 101 B6R0.1 CCCC(=O)NN CS22544 [0,1,0,0,0,0|2,0,0]=3 102 B6R0.1 CCCC(C)CBr MC112368 [0,1,0,0,0,0|2,0,1]=4 103 B6R0.1 CCCC(O)CO CS20495 [0,1,0,0,0,0|1,0,2]=4 104 B6R0.1 CCNC(=O)NC MC428152 [0,1,0,0,0,0|2,0,0]=3 105 B6R0.1 CCOC(=O)CBr MC41907 [0,1,0,0,0,0|2,0,0]=3 106 B6R0.1 CCOC(=O)CCl MC41910 [0,1,0,0,0,0|2,0,0]=3 107 B6R0.1 CCOC(=O)CN CS15347 [0,1,0,0,0,0|2,0,0]=3 108 B6R0.1 CCOC(=O)CO CS11386 [0,1,0,0,0,0|2,0,0]=3 109 B6R0.1 CCOC(=O)NN CS11383 [0,1,0,0,0,0|3,0,0]=4 110 B6R0.1 CNC(=O)CC#N CS18404 [0,1,0,0,0,0|2,0,0]=3 111 B6R0.1 CNC(=O)CCN MC112263 [0,1,0,0,0,0|2,0,0]=3 112 B6R0.1 CNCC(=O)OC MC438154 [0,1,0,0,0,0|1,0,0]=2 113 B6R0.1 COC(=O)C#CBr MC427266 [0,1,0,0,0,0|2,0,1]=4 114 B6R0.1 COC(=O)CC#N MC428339 [0,1,0,0,0,0|2,0,0]=3 115 B6R0.1 COC(=O)CCBr CS18993 [0,1,0,0,0,0|2,0,0]=3 116 B6R0.1 COC(=O)CCN CS22266 [0,1,0,0,0,0|2,0,0]=3 117 B6R0.1 COC(=O)\C=C\I MC20613 [0,1,0,0,0,0|2,0,1]=4 118 B6R0.1 COCC(=O)NN CS11580 [0,1,0,0,0,0|1,1,0]=3 119 B6R0.1 C\C=C\C(=O)OC MC41953 [0,1,0,0,0,0|1,0,1]=3 120 B6R0.1 N#CCC(=O)NN MC425018 [0,1,0,0,0,0|3,0,0]=4 121 B6R0.1 O=C(CCl)NCO CS14580 [0,1,0,0,0,0|3,0,0]=4 122 B6R0.2 CC(=O)\C=C(/C)N MC105899 [0,1,0,0,0,0|1,0,1]=3 123 B6R0.2 CC(Br)CC(=O)O MC106689 [0,1,0,0,0,0|2,0,0]=3 124 B6R0.2 CC(Br)CC(N)=S MC106193 [0,1,0,0,0,0|2,1,0]=4 125 B6R0.2 CC(C)=CC(=O)O CS14947 [0,1,0,0,0,0|2,0,1]=4 126 B6R0.2 CC(N)CC(=O)O CS19028 [0,1,0,0,0,0|2,0,0]=3 127 B6R0.2 CC(N)CC(=O)O CS20346 [0,1,0,0,0,0|2,0,0]=3 128 B6R0.2 CC(N)CC(=O)O MC439098 [0,1,0,0,0,0|2,0,0]=3 129 B6R0.2 CC(O)CC(=O)O MC426020 [0,1,0,0,0,0|2,0,0]=3 130 B6R0.2 CC(O)CC(=O)O MC426021 [0,1,0,0,0,0|2,0,0]=3 131 B6R0.2 CC(O)CC(=O)[O-] CS20253 [0,1,0,0,0,0|2,0,0]=3 132 B6R0.2 CN(C)CC(=O)O CS13413 [0,1,0,0,0,0|2,0,0]=3 133 B6R0.2 CN(C)CC(N)=S CS15155 [0,1,0,0,0,0|2,1,0]=4 134 B6R0.2 NC(=O)CC(N)=O CS11565 [0,1,0,0,0,0|3,0,0]=4 135 B6R0.2 NC(=O)C[N+](=O)[O-] MC442348 [0,1,0,0,0,0|3,0,0]=4 136 B6R0.2 NC([SeH])CC(=O)O MC435590 [0,1,0,0,0,0|3,0,0]=4 137 B6R0.2 NC([SeH])CC(=O)O MC435591 [0,1,0,0,0,0|3,0,0]=4 138 B6R0.2 O=C(O)CC(=O)O MC41922 [0,1,0,0,0,0|3,0,0]=4 139 B6R0.2 O=C(O)CC(=O)O MC41938 [0,1,0,0,0,0|3,0,0]=4 140 B6R0.3 C=CC(N)C(=O)O MC21080 [0,1,0,0,0,0|2,0,1]=4 141 B6R0.3 CC(CN)C(=O)O MC105846 [0,1,0,0,0,0|3,0,0]=4 142 B6R0.3 CC(CN)C(=O)O MC105847 [0,1,0,0,0,0|3,0,0]=4 143 B6R0.3 CCC(=O)C(=O)O CS21626 [0,1,0,0,0,0|2,0,1]=4 144 B6R0.3 CCC(Br)C(=O)O MC426015 [0,1,0,0,0,0|2,0,0]=3 145 B6R0.3 CCC(Cl)C(=O)O MC426016 [0,1,0,0,0,0|2,0,0]=3 146 B6R0.3 CCC(N)C(=O)O CS13661 [0,1,0,0,0,0|2,0,0]=3 147 B6R0.3 CCC(N)C(=O)O CS14054 [0,1,0,0,0,0|2,0,0]=3 148 B6R0.3 CCC(N)C(=O)O CS14084 [0,1,0,0,0,0|2,0,0]=3 149 B6R0.3 CCC(N)C(N)=O CS15891 [0,1,0,0,0,0|2,0,0]=3 150 B6R0.3 CCC(N)C(N)=O MC436006 [0,1,0,0,0,0|2,0,0]=3 151 B6R0.3 CNC(C)C(=O)O MC428068 [0,1,0,0,0,0|2,0,0]=3 152 B6R0.3 CNC(C)C(=O)O MC428076 [0,1,0,0,0,0|2,0,0]=3 153 B6R0.3 CNC(C)C(=O)O MC428084 [0,1,0,0,0,0|2,0,0]=3 154 B6R0.3 COC(C)C(=O)O CS14024 [0,1,0,0,0,0|1,1,0]=3 155 B6R0.3 COC(C)C(=O)O MC425243 [0,1,0,0,0,0|1,1,0]=3 156 B6R0.3 CON(C)C(C)=O CS11789 [0,1,0,0,0,0|1,1,0]=3 157 B6R0.3 N#CC(N)C(N)=O MC111521 [0,1,0,0,0,0|3,0,0]=4 158 B6R0.3 NC(=O)C(N)CO MC438160 [0,1,0,0,0,0|3,0,0]=4 159 B6R0.3 NC(CCl)C(=O)O MC436849 [0,1,0,0,0,0|3,0,0]=4 160 B6R0.3 NC(CCl)C(=O)O MC436850 [0,1,0,0,0,0|3,0,0]=4 161 B6R0.3 NC(CCl)C(=O)O MC436851 [0,1,0,0,0,0|3,0,0]=4 162 B6R0.3 NC(CCl)C(=O)O MC436852 [0,1,0,0,0,0|3,0,0]=4 163 B6R0.3 NC(CF)C(=O)O MC437009 [0,1,0,0,0,0|3,0,0]=4 164 B6R0.3 NC(CO)C(=O)O CS14731 [0,1,0,0,0,0|3,0,0]=4 165 B6R0.3 NC(CO)C(=O)O CS18949 [0,1,0,0,0,0|3,0,0]=4 166 B6R0.3 NC(CO)C(=O)O CS19144 [0,1,0,0,0,0|3,0,0]=4 167 B6R0.3 NC(CS)C(=O)O CS19113 [0,1,0,0,0,0|3,0,0]=4 168 B6R0.3 NC(CS)C(=O)O CS19417 [0,1,0,0,0,0|3,0,0]=4 169 B6R0.3 NC(CS)C(=O)O CS19655 [0,1,0,0,0,0|3,0,0]=4 170 B6R0.3 NC(CS)C(=O)O MC428046 [0,1,0,0,0,0|3,0,0]=4 171 B6R0.3 NC(CS)C(=O)O MC436887 [0,1,0,0,0,0|3,0,0]=4 172 B6R0.3 NC(CS)C(=O)O MC436888 [0,1,0,0,0,0|3,0,0]=4 173 B6R0.3 NC(CS)C(=O)O MC439001 [0,1,0,0,0,0|3,0,0]=4 174 B6R0.3 NC(C[SeH])C(=O)O MC435423 [0,1,0,0,0,0|3,0,0]=4 175 B6R0.3 NCC(N)C(=O)O CS14756 [0,1,0,0,0,0|3,0,0]=4 176 B6R0.3 NCC(N)C(=O)O CS19624 [0,1,0,0,0,0|3,0,0]=4 177 B6R0.3 NCC(N)C(=O)O CS19672 [0,1,0,0,0,0|3,0,0]=4 178 B6R0.3 NCC(O)C(=O)O CS20294 [0,1,0,0,0,0|3,0,0]=4 179 B6R0.3 NCC(O)C(=O)O MC437816 [0,1,0,0,0,0|3,0,0]=4 180 B6R0.3 O=C(O)C(Br)CBr CS15215 [0,1,0,0,0,0|3,0,0]=4 181 B6R0.3 O=C(O)C(O)CCl MC10790 [0,1,0,0,0,0|3,0,0]=4 182 B6R0.4 C#CCCC(=O)Cl MC106035 [0,1,0,0,0,0|2,0,1]=4 183 B6R0.4 C#CCCC(=O)O MC428029 [0,1,0,0,0,0|2,0,1]=4 184 B6R0.4 C#CCCC(N)=O MC106194 [0,1,0,0,0,0|2,0,1]=4 185 B6R0.4 C=CCCC(=O)O CS15216 [0,1,0,0,0,0|2,0,1]=4 186 B6R0.4 CC(=O)CCCBr CS10305 [0,1,0,0,0,0|1,0,0]=2 187 B6R0.4 CC(=O)CCCCl CS10334 [0,1,0,0,0,0|1,0,0]=2 188 B6R0.4 CC(=O)NCCCl MC33011 [0,1,0,0,0,0|2,0,0]=3 189 B6R0.4 CC(C)=CC[Mg]Cl MC116049 [0,1,0,0,0,0|3,0,0]=4 190 B6R0.4 CC(C)=CC[Zn]Cl MC116080 [0,1,0,0,0,0|3,0,0]=4 191 B6R0.4 CC(C)CCCO MC428025 [0,1,0,0,0,0|2,0,1]=4 192 B6R0.4 CCCCC(=O)Cl MC40508 [0,1,0,0,0,0|2,0,0]=3 193 B6R0.4 CN(C)CCCBr CS22184 [0,1,0,0,0,0|3,0,0]=4 194 B6R0.4 CN(C)CCCCl CS13505 [0,1,0,0,0,0|3,0,0]=4 195 B6R0.4 CN(C)CCCCl CS14943 [0,1,0,0,0,0|3,0,0]=4 196 B6R0.4 CNCCN(C)C CS11723 [0,1,0,0,0,0|3,0,0]=4 197 B6R0.4 CNCCN(C)C CS15131 [0,1,0,0,0,0|3,0,0]=4 198 B6R0.4 CO\C=C\C(C)=O MC33352 [0,1,0,0,0,0|0,1,1]=3 199 B6R0.4 N#CCCC(=O)O CS22262 [0,1,0,0,0,0|2,0,1]=4 200 B6R0.4 NCCCC(=O)O CS14998 [0,1,0,0,0,0|2,0,0]=3 201 B6R0.4 NCCCC(N)=O MC112262 [0,1,0,0,0,0|2,0,0]=3 202 B6R0.4 O=C(Cl)CCCCl MC40450 [0,1,0,0,0,0|2,0,0]=3 203 B6R0.4 O=C(O)CCCBr CS14053 [0,1,0,0,0,0|2,0,0]=3 204 B6R0.5 CCCS(=O)(=O)Cl MC20992 [0,1,0,0,0,0|3,0,0]=4 205 B6R0.5 CCCS(=O)(=O)O MC32073 [0,1,0,0,0,0|3,0,0]=4 206 B6R0.5 CCCS(=O)(=O)[O-] MC32074 [0,1,0,0,0,0|3,0,0]=4 207 B6R0.5 CCCS(N)(=O)=O MC32075 [0,1,0,0,0,0|3,0,0]=4 208 B6R0.5 CCOS(C)(=O)=O MC445528 [0,1,0,0,0,0|3,0,0]=4 209 B6R0.5 CNCP(=O)(O)O MC101885 [0,1,0,0,0,0|3,0,0]=4 210 B6R0.5 CS(=O)(=O)CC#N MC434049 [0,1,0,0,0,0|3,0,0]=4 211 B6R0.5 CS(=O)(=O)CCN CS21301 [0,1,0,0,0,0|3,0,0]=4 212 B6R1.2 BrC1CCNC1 CS15742 [0,0,0,1,0,0|2,0,1]=4 213 B6R1.2 BrC1CCOC1 CS14643 [0,0,0,1,0,0|1,1,1]=4 214 B6R1.2 CC1=CSC=N1 CS15621 [0,0,0,1,0,0|1,0,2]=4 215 B6R1.2 CC1=NCCC1 CS21664 [0,0,0,1,0,0|2,0,0]=3 216 B6R1.2 CC1CCCN1 CS18299 [0,0,0,1,0,0|2,0,1]=4 217 B6R1.2 CC1CCCN1 CS18800 [0,0,0,1,0,0|2,0,1]=4 218 B6R1.2 CC1CCCN1 CS19735 [0,0,0,1,0,0|2,0,1]=4 219 B6R1.2 CC1CCCN1 CS21699 [0,0,0,1,0,0|2,0,1]=4 220 B6R1.2 CC1CCCN1 CS21700 [0,0,0,1,0,0|2,0,1]=4 221 B6R1.2 CC1CCCN1 MC428345 [0,0,0,1,0,0|2,0,1]=4 222 B6R1.2 CC1CCCO1 MC20580 [0,0,0,1,0,0|1,0,2]=4 223 B6R1.2 FC1CCNC1 CS12894 [0,0,0,1,0,0|2,0,1]=4 224 B6R1.2 FC1CCNC1 CS14870 [0,0,0,1,0,0|2,0,1]=4 225 B6R1.2 FC1CCNC1 MC31003 [0,0,0,1,0,0|2,0,1]=4 226 B6R1.2 IC1CCOC1 MC101926 [0,0,0,1,0,0|1,1,1]=4 227 B6R1.2 NC1=NCCC1 CS19310 [0,0,0,1,0,0|3,0,0]=4 228 B6R1.2 NC1CCOC1 CS12010 [0,0,0,1,0,0|1,1,1]=4 229 B6R1.2 NC1CCOC1 CS13003 [0,0,0,1,0,0|1,1,1]=4 230 B6R1.2 NC1CCOC1 CS20366 [0,0,0,1,0,0|1,1,1]=4 231 B6R1.2 NC1CCOC1 MC443324 [0,0,0,1,0,0|1,1,1]=4 232 B6R1.2 NC1CCOC1 MC444237 [0,0,0,1,0,0|1,1,1]=4 233 B6R1.2 O=C1C=CSN1 MC427073 [0,0,0,1,0,0|1,0,2]=4 234 B6R1.2 O=C1CC=NN1 CS20496 [0,0,0,1,0,0|2,0,1]=4 235 B6R1.2 O=C1CCCC1 MC21085 [0,0,0,1,0,0|1,0,0]=2 236 B6R1.2 O=C1CCNC1 CS22412 [0,0,0,1,0,0|1,0,0]=2 237 B6R1.2 O=C1CCOC1 CS18178 [0,0,0,1,0,0|0,1,0]=2 238 B6R1.2 O=C1CCSC1 MC20305 [0,0,0,1,0,0|0,0,0]=1 239 B6R1.2 O=C1CNCN1 CS15654 [0,0,0,1,0,0|2,0,0]=3 240 B6R1.2 O=C1NCCN1 CS21607 [0,0,0,1,0,0|3,0,0]=4 241 B6R1.2 O=C1NCCS1 CS20525 [0,0,0,1,0,0|3,0,0]=4 242 B6R1.2 O=C1OCCO1 CS20012 [0,0,0,1,0,0|3,0,0]=4 243 B6R1.2 OC1CCNC1 CS16166 [0,0,0,1,0,0|1,0,2]=4 244 B6R1.2 OC1CCNC1 CS16635 [0,0,0,1,0,0|1,0,2]=4 245 B6R1.2 OC1CCNC1 CS16650 [0,0,0,1,0,0|1,0,2]=4 246 B6R1.2 OC1CCNC1 CS17407 [0,0,0,1,0,0|1,0,2]=4 247 B6R1.2 OC1CCNC1 CS21757 [0,0,0,1,0,0|1,0,2]=4 248 B6R1.2 OC1CCOC1 CS20284 [0,0,0,1,0,0|0,1,2]=4 249 B6R1.2 OC1CCOC1 MC42235 [0,0,0,1,0,0|0,1,2]=4 250 B6R1.2 OC1CCOC1 MC444279 [0,0,0,1,0,0|0,1,2]=4 251 B6R1.5 CC1CC(N)C1 MC105778 [0,0,0,1,0,0|2,0,1]=4 252 B6R1.5 CN1CC(N)C1 MC444125 [0,0,0,1,0,0|2,0,1]=4 253 B6R1.5 CN1CC(O)C1 MC444271 [0,0,0,1,0,0|1,0,2]=4 254 B6R1.5 CN1CC(O)C1 MC444272 [0,0,0,1,0,0|1,0,2]=4 255 B6R1.5 NC1CC(=O)C1 MC444232 [0,0,0,1,0,0|2,0,0]=3 256 B6R1.5 O=C1CC(F)C1 MC104154 [0,0,0,1,0,0|2,0,0]=3 257 B6R1.10 CC1(F)CNC1 MC102153 [0,0,0,1,0,0|2,0,1]=4 258 B6R1.10 CC1(N)COC1 CS14859 [0,0,0,1,0,0|1,1,1]=4 259 B6R1.10 CC1(N)COC1 MC444292 [0,0,0,1,0,0|1,1,1]=4 260 B6R1.10 CC1(N)CSC1 MC113158 [0,0,0,1,0,0|1,0,1]=3 261 B6R1.10 CC1(O)CNC1 CS15502 [0,0,0,1,0,0|1,0,2]=4 262 B6R1.11 CC(I)C1CC1 MC429998 [0,0,0,1,0,0|2,0,1]=4 263 B6R1.11 CC(N)C1CC1 MC428207 [0,0,0,1,0,0|2,0,1]=4 264 B6R1.11 N=C(N)C1CC1 CS16535 [0,0,0,1,0,0|3,0,0]=4 265 B6R1.11 NC(=O)C1CC1 CS16456 [0,0,0,1,0,0|2,0,0]=3 266 B6R1.11 NC(=S)C1CC1 MC21067 [0,0,0,1,0,0|2,1,0]=4 267 B6R1.11 O=C(Cl)C1CC1 MC434039 [0,0,0,1,0,0|2,0,0]=3 268 B6R1.11 O=C(O)C1CC1 CS13839 [0,0,0,1,0,0|2,0,0]=3 269 B6R1.11 O=C([O-])C1CO1 CS17514 [0,0,0,1,0,0|1,1,0]=3 270 B3R0.1 C=CCBr MC41858 [2,0,0,0,0,0|1,0,1]=4 271 B3R0.1 CCC#N MC41959 [2,0,0,0,0,0|1,0,1]=4 272 B3R0.1 CCON CS11314 [2,0,0,0,0,0|1,1,0]=4 273 B3R0.1 CC[Zn]Br MC116063 [2,0,0,0,0,0|2,0,0]=4 274 B3R0.1 CNOC CS13986 [2,0,0,0,0,0|1,1,0]=4 275 B3R0.1 COCCl MC41874 [2,0,0,0,0,0|1,1,0]=4 276 B3R0.1 C\C=C\C MC428373 [2,0,0,0,0,0|0,0,1]=3 277 B3R0.1 SCCS MC20652 [2,0,0,0,0,0|0,1,1]=4 278 B3R0.2 C=C(C)Br MC440274 [2,0,0,0,0,0|1,0,1]=4 279 B3R0.2 CC(=O)Cl MC40433 [2,0,0,0,0,0|1,0,0]=3 280 B3R0.2 CC(=O)O CS19761 [2,0,0,0,0,0|0,1,0]=3 281 B3R0.2 CC(=O)[O-] CS11168 [2,0,0,0,0,0|0,1,0]=3 282 B3R0.2 CC(=O)[O-] CS11832 [2,0,0,0,0,0|0,1,0]=3 283 B3R0.2 CC(=O)[O-] MC41921 [2,0,0,0,0,0|0,1,0]=3 284 B3R0.2 CC(C)Br MC41864 [2,0,0,0,0,0|1,0,1]=4 285 B3R0.2 CC(N)=O MC40849 [2,0,0,0,0,0|1,0,0]=3 286 B3R0.2 CC(O)=S MC434055 [2,0,0,0,0,0|0,0,2]=4 287 B3R0.2 CS(=O)[O-] MC434050 [2,0,0,0,0,0|1,1,0]=4 288 B3R0.2 C[N+](=O)[O-] MC41935 [2,0,0,0,0,0|1,1,0]=4 289 B3R0.2 C[PH](C)=O MC21075 [2,0,0,0,0,0|1,0,0]=3 290 B3R0.2 O=C([O-])[O-] CS11119 [2,0,0,0,0,0|1,1,0]=4 291 B5R0.3 C=C(CO)CO CS21689 [1,1,0,0,0,0|1,1,0]=4 292 B5R0.3 CCC(C)[Zn]Br MC121335 [1,1,0,0,0,0|1,0,1]=4 293 B5R0.3 CCC(N)CO CS15119 [1,1,0,0,0,0|1,0,1]=4 294 B5R0.3 CCC(N)CO MC10528 [1,1,0,0,0,0|1,0,1]=4 295 B5R0.3 CCC(N)CO MC20718 [1,1,0,0,0,0|1,0,1]=4 296 B5R0.3 CCC(N)CO MC436159 [1,1,0,0,0,0|1,0,1]=4 297 B5R0.3 CCC(O)CO CS15622 [1,1,0,0,0,0|0,0,2]=4 298 B5R0.3 CNC(=O)CCl MC21094 [1,1,0,0,0,0|1,0,0]=3 299 B5R0.3 CNC(=O)CN MC437710 [1,1,0,0,0,0|1,0,0]=3 300 B5R0.3 COC(=O)CN CS15045 [1,1,0,0,0,0|0,1,0]=3 301 B5R0.3 COC(=O)CO CS19433 [1,1,0,0,0,0|0,1,0]=3 302 B5R0.3 COC(=O)CS MC20578 [1,1,0,0,0,0|0,0,0]=2 303 B5R0.3 COC(=O)NN MC20825 [1,1,0,0,0,0|1,1,0]=4 304 B5R0.3 O=C(CO)CO CS11245 [1,1,0,0,0,0|0,1,0]=3 305 B5R0.3 O=CC(=O)CO MC427604 [1,1,0,0,0,0|0,1,1]=4 306 B5R0.4 CCS(=O)(=O)Cl MC32069 [1,1,0,0,0,0|2,0,0]=4 307 B5R0.4 CCS(=O)(=O)F MC32070 [1,1,0,0,0,0|2,0,0]=4 308 B5R0.4 CCS(=O)(=O)O MC32071 [1,1,0,0,0,0|2,0,0]=4 309 B5R0.4 CCS(=O)(=O)[O-] MC32072 [1,1,0,0,0,0|2,0,0]=4 310 B5R0.4 CCS(N)(=O)=O CS11311 [1,1,0,0,0,0|2,0,0]=4 311 B5R0.4 CNS(C)(=O)=O CS17859 [1,1,0,0,0,0|2,0,0]=4 312 B5R0.4 COS(C)(=O)=O MC445529 [1,1,0,0,0,0|1,1,0]=4 313 B5R0.5 CC(=O)C(=O)O MC41939 [1,1,0,0,0,0|0,1,1]=4 314 B5R0.5 CC(Br)C(=O)O MC20444 [1,1,0,0,0,0|1,0,0]=3 315 B5R0.5 CC(C)C(=O)Cl MC40490 [1,1,0,0,0,0|1,0,0]=3 316 B5R0.5 CC(C)C(N)=O CS21696 [1,1,0,0,0,0|1,0,0]=3 317 B5R0.5 CC(Cl)C(=O)O MC20315 [1,1,0,0,0,0|1,0,0]=3 318 B5R0.5 CC(Cl)C(=O)O MC436860 [1,1,0,0,0,0|1,0,0]=3 319 B5R0.5 CC(F)C(=O)O MC429445 [1,1,0,0,0,0|1,0,0]=3 320 B5R0.5 CC(N)C(=O)O CS18992 [1,1,0,0,0,0|1,0,0]=3 321 B5R0.5 CC(N)C(=O)O CS19143 [1,1,0,0,0,0|1,0,0]=3 322 B5R0.5 CC(N)C(=O)O MC428047 [1,1,0,0,0,0|1,0,0]=3 323 B5R0.5 CC(N)C(N)=O CS15732 [1,1,0,0,0,0|1,0,0]=3 324 B5R0.5 CC(N)C(N)=O CS22529 [1,1,0,0,0,0|1,0,0]=3 325 B5R0.5 CC(N)C(N)=O MC436152 [1,1,0,0,0,0|1,0,0]=3 326 B5R0.5 CC(N)C(N)=O MC436153 [1,1,0,0,0,0|1,0,0]=3 327 B5R0.5 CC(O)C(=O)O MC437817 [1,1,0,0,0,0|1,0,0]=3 328 B5R0.5 CN(C)C(=O)Cl MC428263 [1,1,0,0,0,0|2,0,0]=4 329 B5R0.5 O=C(O)C(F)F MC20641 [1,1,0,0,0,0|2,0,0]=4 330 B5R0.5 O=C([O-])C(Cl)Cl MC21032 [1,1,0,0,0,0|2,0,0]=4 331 B5R0.2 CCCCCBr CS20657 [1,1,0,0,0,0|1,0,1]=4 332 B5R0.2 CNCCCO CS14200 [1,1,0,0,0,0|1,0,1]=4 333 B5R0.2 CNCCNC CS15116 [1,1,0,0,0,0|1,0,1]=4 334 B5R0.2 CNCCOC MC427349 [1,1,0,0,0,0|0,1,1]=4 335 B5R0.2 COCCCBr CS20649 [1,1,0,0,0,0|0,1,1]=4 336 B5R0.2 COCCCO CS20039 [1,1,0,0,0,0|0,1,1]=4 337 B5R0.2 COCCOC MC41899 [1,1,0,0,0,0|0,1,1]=4 338 B5R0.2 COCCOC MC445008 [1,1,0,0,0,0|0,1,1]=4 339 B5R0.2 C\C=C\C[Pd]Cl MC444919 [1,1,0,0,0,0|2,0,0]=4 340 B7R0.2 CC(=O)\C=C(\C)O[Rh] MC445002 [0,2,0,0,0,0|1,0,1]=4 341 B7R0.2 CC(C)OC(=O)CO CS11522 [0,2,0,0,0,0|2,0,0]=4 342 B7R0.2 CCC(=O)CC(C)=O CS21124 [0,2,0,0,0,0|1,0,0]=3 343 B7R0.2 CCC(=O)OC(C)=O CS16382 [0,2,0,0,0,0|1,0,1]=4 344 B7R0.2 COC(=O)CC(=O)O CS13436 [0,2,0,0,0,0|1,1,0]=4 345 B7R0.2 COC(=O)CC(=O)[O-] MC41937 [0,2,0,0,0,0|1,1,0]=4 346 B7R0.2 COC(=O)CC(C)=O MC41927 [0,2,0,0,0,0|0,1,0]=3 347 B7R0.2 COC(=O)CC(C)O CS11584 [0,2,0,0,0,0|1,0,0]=3 348 B7R0.2 COC(=O)C[N+](=O)[O-] MC41932 [0,2,0,0,0,0|2,0,0]=4 349 B7R0.2 COC(=O)\C=C(/C)N CS13690 [0,2,0,0,0,0|1,0,1]=4 350 B7R0.2 C\C(C=O)=C/N(C)C CS22267 [0,2,0,0,0,0|1,0,1]=4 351 B7R0.2 NCC(O)CC(=O)O CS16710 [0,2,0,0,0,0|2,0,0]=4 352 B7R0.3 C#CCCC(=O)OC MC424002 [0,2,0,0,0,0|1,0,1]=4 353 B7R0.3 C=CCOC(=O)CCl MC428296 [0,2,0,0,0,0|1,0,1]=4 354 B7R0.3 COC(=O)CCC=O MC21172 [0,2,0,0,0,0|1,0,1]=4 355 B7R0.3 COC(=O)CCCBr MC427387 [0,2,0,0,0,0|1,0,0]=3 356 B7R0.3 COC(=O)CCCN MC439309 [0,2,0,0,0,0|1,0,0]=3 357 B7R0.3 COC(=O)CN=[N+]=[N-] MC428311 [0,2,0,0,0,0|2,0,0]=4 358 B7R0.3 COC(=O)\C=C\CBr CS13509 [0,2,0,0,0,0|1,0,1]=4 359 B7R0.3 COCCC(=O)NN MC111753 [0,2,0,0,0,0|1,1,0]=4 360 B7R0.3 CO\C=C\C(=O)OC CS11630 [0,2,0,0,0,0|0,1,1]=4 361 B7R0.3 CSCCC(N)CO MC437961 [0,2,0,0,0,0|1,0,1]=4 362 B7R0.5 CC(C)C(=O)CC#N MC41933 [0,2,0,0,0,0|2,0,0]=4 363 B7R0.5 CCCC(N)C(=O)O CS10518 [0,2,0,0,0,0|2,0,0]=4 364 B7R0.5 CCCC(N)C(=O)O CS17028 [0,2,0,0,0,0|2,0,0]=4 365 B7R0.5 CCCC(N)C(=O)O MC439125 [0,2,0,0,0,0|2,0,0]=4 366 B7R0.5 CCCC(N)C(N)=O MC438024 [0,2,0,0,0,0|2,0,0]=4 367 B7R0.5 CCOC(=O)C(C)C CS11388 [0,2,0,0,0,0|2,0,0]=4 368 B7R0.5 CCOC(=O)C(C)F MC439605 [0,2,0,0,0,0|2,0,0]=4 369 B7R0.5 CCOC(=O)C(C)N CS15404 [0,2,0,0,0,0|2,0,0]=4 370 B7R0.5 CCOC(=O)C(C)N MC436160 [0,2,0,0,0,0|2,0,0]=4 371 B7R0.5 CCOC(=O)C(C)O CS20075 [0,2,0,0,0,0|2,0,0]=4 372 B7R0.5 CCOC(=O)C(F)Br MC41908 [0,2,0,0,0,0|2,0,0]=4 373 B7R0.5 CCOC(=O)C(F)Cl MC41909 [0,2,0,0,0,0|2,0,0]=4 374 B7R0.5 CCOC(=O)C(F)F CS11385 [0,2,0,0,0,0|2,0,0]=4 375 B7R0.5 CNCC(=O)N(C)C MC438152 [0,2,0,0,0,0|1,0,0]=3 376 B7R0.5 COCC(N)C(=O)O CS12183 [0,2,0,0,0,0|1,1,0]=4 377 B7R0.5 COCC(N)C(=O)O CS16755 [0,2,0,0,0,0|1,1,0]=4 378 B7R0.5 COCC(N)C(=O)O CS20335 [0,2,0,0,0,0|1,1,0]=4 379 B7R0.5 CSCC(N)C(=O)O MC439293 [0,2,0,0,0,0|1,0,0]=3 380 B7R0.5 C[Se]CC(N)C(=O)O MC435442 [0,2,0,0,0,0|1,1,0]=4 381 B7R0.5 C[Se]CC(N)C(=O)O MC435443 [0,2,0,0,0,0|1,1,0]=4 382 B7R0.5 NC(CCO)C(=O)O CS13886 [0,2,0,0,0,0|2,0,0]=4 383 B7R0.5 NC(CCO)C(=O)O CS16701 [0,2,0,0,0,0|2,0,0]=4 384 B7R0.5 NC(CCO)C(=O)O CS22620 [0,2,0,0,0,0|2,0,0]=4 385 B7R0.5 NCCC(N)C(=O)O CS13874 [0,2,0,0,0,0|2,0,0]=4 386 B7R0.5 NCCC(N)C(=O)O CS15080 [0,2,0,0,0,0|2,0,0]=4 387 B7R0.5 NCCC(N)C(=O)O MC436921 [0,2,0,0,0,0|2,0,0]=4 388 B7R0.5 NCCC(N)C(=O)O MC439091 [0,2,0,0,0,0|2,0,0]=4 389 B7R0.5 NCCC(N)C(=O)O MC439321 [0,2,0,0,0,0|2,0,0]=4 390 B7R0.5 NCCC(O)C(=O)O CS15496 [0,2,0,0,0,0|2,0,0]=4 391 B7R0.5 NCCC(O)C(=O)O CS21759 [0,2,0,0,0,0|2,0,0]=4 392 B7R0.7 CC#CC(=O)OCC CS10117 [0,2,0,0,0,0|1,0,1]=4 393 B7R0.7 CCOC(=O)CC#N MC41911 [0,2,0,0,0,0|2,0,0]=4 394 B7R0.7 CCOC(=O)CCN CS14330 [0,2,0,0,0,0|2,0,0]=4 395 B7R0.7 CCOC(=O)CNC CS17068 [0,2,0,0,0,0|1,0,0]=3 396 B7R0.7 CCOC(=O)CNN CS19987 [0,2,0,0,0,0|2,0,0]=4 397 B7R0.7 CCOC(=O)COC CS11389 [0,2,0,0,0,0|0,1,0]=3 398 B7R0.7 O=C(CCCl)CCCl CS19912 [0,2,0,0,0,0|2,0,0]=4 399 B7R0.10 CCC(Br)C(=O)OC CS14136 [0,2,0,0,0,0|1,0,0]=3 400 B7R0.10 CCC(N)C(=O)OC MC436010 [0,2,0,0,0,0|1,0,0]=3 401 B7R0.10 CNC(C)C(=O)OC MC437898 [0,2,0,0,0,0|1,0,0]=3 402 B7R0.10 COC(=O)C(=O)CBr CS15824 [0,2,0,0,0,0|0,1,1]=4 403 B7R0.10 COC(=O)C(C)CBr MC428281 [0,2,0,0,0,0|2,0,0]=4 404 B7R0.10 COC(=O)C(F)CO CS17081 [0,2,0,0,0,0|2,0,0]=4 405 B7R0.10 COC(=O)C(N)CCl CS22615 [0,2,0,0,0,0|2,0,0]=4 406 B7R0.10 COC(=O)C(N)CCl MC418493 [0,2,0,0,0,0|2,0,0]=4 407 B7R0.10 COC(=O)C(N)CCl MC436854 [0,2,0,0,0,0|2,0,0]=4 408 B7R0.10 COC(=O)C(N)CO CS16778 [0,2,0,0,0,0|2,0,0]=4 409 B7R0.10 COC(=O)C(N)CO CS16785 [0,2,0,0,0,0|2,0,0]=4 410 B7R0.10 COC(=O)C(N)CO CS22621 [0,2,0,0,0,0|2,0,0]=4 411 B7R0.10 COC(=O)C(N)CS CS13863 [0,2,0,0,0,0|2,0,0]=4 412 B7R0.10 COC(=O)C(N)CS MC110561 [0,2,0,0,0,0|2,0,0]=4 413 B7R0.10 COC(=O)C(O)CO MC429048 [0,2,0,0,0,0|2,0,0]=4 414 B7R0.10 CON(C)C(=O)CCl MC33020 [0,2,0,0,0,0|1,1,0]=4 415 B7R0.12 COC(CSC)OC MC10796 [0,2,0,0,0,0|0,0,2]=4 416 B7R0.9 CC(=O)CC(F)(F)F MC418477 [0,2,0,0,0,0|2,0,0]=4 417 B7R0.9 CC(C)(C)CC(=O)O CS22814 [0,2,0,0,0,0|2,0,0]=4 418 B7R0.9 CC(C)(N)CC(=O)O CS14805 [0,2,0,0,0,0|2,0,0]=4 419 B7R0.9 CC(C)(N)CC(=O)O CS17039 [0,2,0,0,0,0|2,0,0]=4 420 B7R0.9 C[N+](C)(C)CC(=O)O MC34237 [0,2,0,0,0,0|2,0,0]=4 421 B7R0.9 C[N+](C)(C)CC(=O)[O-] MC34236 [0,2,0,0,0,0|2,0,0]=4 422 B7R0.16 CC(C)C(Br)C(=O)O MC431184 [0,2,0,0,0,0|2,0,0]=4 423 B7R0.16 CC(C)C(Cl)C(=O)O MC426014 [0,2,0,0,0,0|2,0,0]=4 424 B7R0.16 CC(C)C(F)C(=O)O MC429818 [0,2,0,0,0,0|2,0,0]=4 425 B7R0.16 CC(C)C(N)C(=O)O CS19285 [0,2,0,0,0,0|2,0,0]=4 426 B7R0.16 CC(C)C(N)C(=O)O MC438291 [0,2,0,0,0,0|2,0,0]=4 427 B7R0.16 CC(C)C(N)C(=O)O MC438292 [0,2,0,0,0,0|2,0,0]=4 428 B7R0.16 CC(C)C(N)C(N)=O CS11445 [0,2,0,0,0,0|2,0,0]=4 429 B7R0.16 CC(C)C(N)C(N)=O MC428367 [0,2,0,0,0,0|2,0,0]=4 430 B7R0.16 CC(C)C(N)C(N)=O MC435294 [0,2,0,0,0,0|2,0,0]=4 431 B7R0.16 CC(C)C(O)C(=O)O MC437769 [0,2,0,0,0,0|2,0,0]=4 432 B7R0.16 CC(C)C(O)C(=O)O MC437770 [0,2,0,0,0,0|2,0,0]=4 433 B7R0.16 CC(O)C(N)C(=O)O CS16722 [0,2,0,0,0,0|2,0,0]=4 434 B7R0.16 CC(O)C(N)C(=O)O CS22619 [0,2,0,0,0,0|2,0,0]=4 435 B7R0.16 CC(O)C(N)C(=O)O MC438198 [0,2,0,0,0,0|2,0,0]=4 436 B7R0.16 CC(O)C(N)C(=O)O MC438199 [0,2,0,0,0,0|2,0,0]=4 437 B7R0.16 CC(O)C(N)C(=O)O MC438200 [0,2,0,0,0,0|2,0,0]=4 438 B7R0.16 CC(O)C(N)C(N)=O MC438202 [0,2,0,0,0,0|2,0,0]=4 439 B7R0.13 CCC(C)(N)C(=O)O CS16944 [0,2,0,0,0,0|2,0,0]=4 440 B7R0.13 CNC(C)(C)C(=O)O MC437895 [0,2,0,0,0,0|2,0,0]=4 441 B7R0.15 CCC(CC)C(=O)[O-] MC21097 [0,2,0,0,0,0|2,0,0]=4 442 B7R0.15 CCC(CC)C(C)=O MC425625 [0,2,0,0,0,0|1,0,0]=3 443 B7R0.15 CCC(CN)C(=O)O MC105840 [0,2,0,0,0,0|2,0,0]=4 444 B7R0.15 CCC(CN)C(=O)O MC105841 [0,2,0,0,0,0|2,0,0]=4 445 B7R0.15 CNC(CO)C(=O)O MC435500 [0,2,0,0,0,0|2,0,0]=4 446 B7R0.15 CNC(CO)C(=O)O MC437945 [0,2,0,0,0,0|2,0,0]=4 447 B7R0.15 COC(OC)C(C)=O MC20526 [0,2,0,0,0,0|0,1,0]=3 448 B7R0.4 C#CCCCC(=O)O CS14686 [0,2,0,0,0,0|2,0,0]=4 449 B7R0.4 C=CCNCC(=O)O MC439317 [0,2,0,0,0,0|2,0,0]=4 450 B7R0.4 CC#CCOC(C)=O MC434061 [0,2,0,0,0,0|1,0,0]=3 451 B7R0.4 CC(=O)CCCCBr CS10627 [0,2,0,0,0,0|1,0,0]=3 452 B7R0.4 CCCOCC(=O)O MC425744 [0,2,0,0,0,0|1,1,0]=4 453 B7R0.4 CCC\C=C\C(C)=O MC20875 [0,2,0,0,0,0|1,0,0]=3 454 B7R0.4 NCCCCC(=O)O MC428108 [0,2,0,0,0,0|2,0,0]=4 455 B7R0.4 NCCNCC(=O)O MC436179 [0,2,0,0,0,0|2,0,0]=4 456 B7R0.4 O=C(O)CCCCBr MC41866 [0,2,0,0,0,0|2,0,0]=4 457 B7R0.6 C=C(C)CCC(=O)O CS16527 [0,2,0,0,0,0|2,0,0]=4 458 B7R0.6 CC(=O)CCC(=O)O CS18688 [0,2,0,0,0,0|1,0,1]=4 459 B7R0.6 CC(=O)NCC(=O)O CS19131 [0,2,0,0,0,0|2,0,0]=4 460 B7R0.6 CC(C)CCC(=O)Cl MC20895 [0,2,0,0,0,0|2,0,0]=4 461 B7R0.6 CC(N)CCC(=O)O MC435302 [0,2,0,0,0,0|2,0,0]=4 462 B7R0.6 CN(C)CCC(=O)O CS12169 [0,2,0,0,0,0|2,0,0]=4 463 B5R1.2 NC1CSC1 MC102176 [1,0,0,1,0,0|1,0,1]=4 464 B5R1.2 NC1CSC1 MC115657 [1,0,0,1,0,0|1,0,1]=4 465 B5R1.2 O=C1CCC1 MC10479 [1,0,0,1,0,0|0,0,0]=2 466 B5R1.2 O=C1CCN1 MC31231 [1,0,0,1,0,0|1,0,0]=3 467 B5R1.2 O=C1CNC1 MC444241 [1,0,0,1,0,0|1,0,0]=3 468 B5R1.2 O=C1COC1 CS22391 [1,0,0,1,0,0|0,1,0]=3 469 B5R1.2 O=C1CSC1 CS13345 [1,0,0,1,0,0|0,0,0]=2 470 B5R1.2 OC1CCC1 CS11176 [1,0,0,1,0,0|0,0,2]=4 471 B5R1.3 CCC1CO1 MC20699 [1,0,0,1,0,0|0,0,2]=4 472 B5R1.3 CCC1CO1 MC428314 [1,0,0,1,0,0|0,0,2]=4 473 B5R1.5 CC1(N)CC1 CS15074 [1,0,0,1,0,0|1,0,1]=4 474 B5R1.1 C1=CCNC1 MC10278 [1,0,0,1,0,0|1,0,1]=4 475 B5R1.1 C1CCNC1 MC41708 [1,0,0,1,0,0|1,0,1]=4 476 B7R1.1 COC1=NCCC1 CS10423 [0,1,0,1,0,0|2,0,0]=4 477 B7R1.1 O=CC1=CCCC1 CS12865 [0,1,0,1,0,0|1,0,1]=4 478 B7R1.1 O=CC1CCCC1 MC21048 [0,1,0,1,0,0|1,0,1]=4 479 B7R1.2 CC1=CC(=O)CC1 CS22356 [0,1,0,1,0,0|1,0,1]=4 480 B7R1.2 CC1=CC(=O)CO1 MC429080 [0,1,0,1,0,0|0,1,1]=4 481 B7R1.2 CC1=CSC(C)=N1 CS22781 [0,1,0,1,0,0|1,0,1]=4 482 B7R1.2 CC1=NC(C)CO1 MC428186 [0,1,0,1,0,0|2,0,0]=4 483 B7R1.2 CC1=NNC(=O)C1 CS16242 [0,1,0,1,0,0|2,0,0]=4 484 B7R1.2 CC1COC(=O)N1 CS14300 [0,1,0,1,0,0|2,0,0]=4 485 B7R1.2 CC1COC(=O)O1 MC428298 [0,1,0,1,0,0|2,0,0]=4 486 B7R1.2 CN1CCC(=O)C1 CS20760 [0,1,0,1,0,0|1,0,0]=3 487 B7R1.2 NC1CNC(=O)C1 MC103473 [0,1,0,1,0,0|2,0,0]=4 488 B7R1.2 NC1COC(=O)C1 CS14340 [0,1,0,1,0,0|2,0,0]=4 489 B7R1.2 NC1COC(=O)C1 CS14674 [0,1,0,1,0,0|2,0,0]=4 490 B7R1.2 O=C1CC(O)CN1 CS14706 [0,1,0,1,0,0|2,0,0]=4 491 B7R1.2 O=C1CC(O)CN1 CS16472 [0,1,0,1,0,0|2,0,0]=4 492 B7R1.2 O=C1CCC(=O)N1 MC41707 [0,1,0,1,0,0|2,0,0]=4 493 B7R1.2 O=C1CCC(I)C1 MC115016 [0,1,0,1,0,0|1,0,0]=3 494 B7R1.2 O=C1CNC(=O)C1 MC116520 [0,1,0,1,0,0|1,0,1]=4 495 B7R1.2 O=C1CSC(=O)N1 CS22526 [0,1,0,1,0,0|1,0,1]=4 496 B7R1.3 O=C1C=CCCC1 MC41883 [0,1,0,1,0,0|1,0,1]=4 497 B7R1.3 O=C1C=CCCN1 CS15771 [0,1,0,1,0,0|1,0,1]=4 498 B7R1.3 O=C1C=CCOC1 CS17023 [0,1,0,1,0,0|0,1,1]=4 499 B7R1.3 O=C1CCCCN1 MC429045 [0,1,0,1,0,0|1,0,0]=3 500 B7R1.3 O=C1CCCCO1 CS11208 [0,1,0,1,0,0|1,0,0]=3 501 B7R1.3 O=C1CCCNC1 CS14768 [0,1,0,1,0,0|1,0,0]=3 502 B7R1.3 O=C1CCCNC1 CS17767 [0,1,0,1,0,0|1,0,0]=3 503 B7R1.3 O=C1CCCOC1 MC31097 [0,1,0,1,0,0|0,1,0]=3 504 B7R1.3 O=C1CCNCC1 CS22790 [0,1,0,1,0,0|1,0,0]=3 505 B7R1.3 O=C1CCOCC1 CS13380 [0,1,0,1,0,0|0,1,0]=3 506 B7R1.3 O=C1CCSCC1 CS18797 [0,1,0,1,0,0|0,0,0]=2 507 B7R1.3 O=C1CNCCN1 CS19142 [0,1,0,1,0,0|1,0,0]=3 508 B7R1.3 O=C1CNCCO1 MC441004 [0,1,0,1,0,0|1,0,0]=3 509 B7R1.3 O=C1COCCN1 CS11697 [0,1,0,1,0,0|0,1,0]=3 510 B7R1.3 O=C1COCCO1 MC20725 [0,1,0,1,0,0|0,1,0]=3 511 B7R1.3 OC1CCSCC1 CS12012 [0,1,0,1,0,0|0,0,2]=4 512 B7R1.4 CC1OCCC1=O CS14135 [0,1,0,1,0,0|0,1,0]=3 513 B7R1.4 CN1CCCC1=O MC41699 [0,1,0,1,0,0|1,0,0]=3 514 B7R1.4 CN1N=CCC1=O CS15601 [0,1,0,1,0,0|2,0,0]=4 515 B7R1.4 NC1CCNC1=O MC107169 [0,1,0,1,0,0|2,0,0]=4 516 B7R1.4 NC1CCNC1=O MC115917 [0,1,0,1,0,0|2,0,0]=4 517 B7R1.4 NC1CCOC1=O CS18578 [0,1,0,1,0,0|2,0,0]=4 518 B7R1.4 NC1CCOC1=O MC439296 [0,1,0,1,0,0|2,0,0]=4 519 B7R1.4 NC1CCSC1=O MC428331 [0,1,0,1,0,0|2,0,0]=4 520 B7R1.4 NC1CONC1=O CS19264 [0,1,0,1,0,0|1,1,0]=4 521 B7R1.4 NC1CONC1=O CS22528 [0,1,0,1,0,0|1,1,0]=4 522 B7R1.4 NC1CONC1=O MC436879 [0,1,0,1,0,0|1,1,0]=4 523 B7R1.4 O=C1CCC=C1O CS14654 [0,1,0,1,0,0|1,0,1]=4 524 B7R1.4 O=C1CCCC1Br MC445112 [0,1,0,1,0,0|1,0,0]=3 525 B7R1.4 O=C1NCCC1O CS19486 [0,1,0,1,0,0|2,0,0]=4 526 B7R1.4 O=C1NCCC1O MC115910 [0,1,0,1,0,0|2,0,0]=4 527 B7R1.4 O=C1NCCC1O MC444274 [0,1,0,1,0,0|2,0,0]=4 528 B7R1.8 O=C1CCC1CO MC104211 [0,1,0,1,0,0|2,0,0]=4 529 B7R1.8 O=C1CCC1CO MC104212 [0,1,0,1,0,0|2,0,0]=4 530 B7R1.8 O=C1CCC1CO MC104213 [0,1,0,1,0,0|2,0,0]=4 531 B7R1.10 NCC1CC(=O)C1 MC444212 [0,1,0,1,0,0|1,0,0]=3 532 B7R1.10 NCC1CC(=O)N1 MC111758 [0,1,0,1,0,0|2,0,0]=4 533 B7R1.10 O=C1CC(CI)N1 MC111759 [0,1,0,1,0,0|2,0,0]=4 534 B7R1.10 O=C1CC(CO)C1 MC113039 [0,1,0,1,0,0|1,0,0]=3 535 B7R1.22 COC(=O)C1CC1 MC41839 [0,1,0,1,0,0|1,0,0]=3 536 B7R1.22 O=C(CBr)C1CC1 MC433212 [0,1,0,1,0,0|1,0,0]=3 537 B7R1.25 CC1(C=O)COC1 MC444293 [0,1,0,1,0,0|0,1,1]=4 538 B7R1.25 CC1(CO)CSC1 MC121099 [0,1,0,1,0,0|0,0,2]=4 539 B7R1.12 CC1CC1C(=O)O MC100841 [0,1,0,1,0,0|2,0,0]=4 540 B7R1.12 CC1CC1C(=O)O MC103281 [0,1,0,1,0,0|2,0,0]=4 541 B7R1.12 CC1CC1C(N)=O MC425328 [0,1,0,1,0,0|2,0,0]=4 542 B7R1.12 NC(=O)C1CC1F MC102846 [0,1,0,1,0,0|2,0,0]=4 543 B7R1.12 O=C(O)C1CC1Br MC430635 [0,1,0,1,0,0|2,0,0]=4 544 B7R1.12 O=C(O)C1CC1F MC21162 [0,1,0,1,0,0|2,0,0]=4 545 B7R1.12 O=C(O)C1CC1F MC425300 [0,1,0,1,0,0|2,0,0]=4 546 B7R1.12 O=C(O)C1CC1F MC425301 [0,1,0,1,0,0|2,0,0]=4 547 B7R1.12 O=C(O)C1CC1F MC425302 [0,1,0,1,0,0|2,0,0]=4 548 B7R1.12 O=C(O)C1CC1F MC425316 [0,1,0,1,0,0|2,0,0]=4 549 B7R1.12 O=C(O)C1CC1I MC102749 [0,1,0,1,0,0|2,0,0]=4 550 B7R1.12 O=C(O)C1CC1I MC425298 [0,1,0,1,0,0|2,0,0]=4 551 B7R1.16 O=C1CC(F)(F)C1 MC102143 [0,1,0,1,0,0|2,0,0]=4 552 B7R1.20 O=C(O)CC1CC1 MC433946 [0,1,0,1,0,0|2,0,0]=4 553 B7R1.18 NC(=O)C1CNC1 MC10515 [0,1,0,1,0,0|2,0,0]=4 554 B7R1.18 NC(=O)C1CNC1 MC10516 [0,1,0,1,0,0|2,0,0]=4 555 B7R1.18 O=C(O)C1CCC1 CS22786 [0,1,0,1,0,0|2,0,0]=4 556 B7R1.18 O=C(O)C1CCN1 CS16493 [0,1,0,1,0,0|2,0,0]=4 557 B7R1.18 O=C(O)C1CCN1 CS16972 [0,1,0,1,0,0|2,0,0]=4 558 B7R1.18 O=C(O)C1CCN1 CS18844 [0,1,0,1,0,0|2,0,0]=4 559 B7R1.18 O=C(O)C1CCN1 MC436280 [0,1,0,1,0,0|2,0,0]=4 560 B7R1.18 O=C(O)C1CCO1 MC115721 [0,1,0,1,0,0|1,1,0]=4 561 B7R1.18 O=C(O)C1CNC1 CS16485 [0,1,0,1,0,0|2,0,0]=4 562 B7R1.18 O=C(O)C1COC1 CS22389 [0,1,0,1,0,0|1,1,0]=4 563 B7R1.18 O=C(O)C1CSC1 MC100118 [0,1,0,1,0,0|1,0,0]=3 564 B7R1.19 CC1(C(N)=O)CC1 MC106205 [0,1,0,1,0,0|2,0,0]=4 565 B7R1.19 NC1(C(=O)O)CC1 CS16477 [0,1,0,1,0,0|2,0,0]=4 566 B7R1.19 O=C(O)C1(Br)CC1 CS15760 [0,1,0,1,0,0|2,0,0]=4 567 B7R1.19 O=C(O)C1(F)CC1 CS13809 [0,1,0,1,0,0|2,0,0]=4 568 B7R1.26 CS(=N)(=O)C1CC1 MC116236 [0,1,0,1,0,0|2,0,0]=4