0 B6R0.4 C#CCCC(=O)Cl MC106035 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.4 C#CCCC(=O)O MC428029 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.4 C#CCCC(N)=O MC106194 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.4 C=CCCC(=O)O CS15216 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.4 CC(=O)CCCBr CS10305 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.4 CC(=O)CCCCl CS10334 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.4 CC(=O)NCCCl MC33011 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.4 CC(C)=CC[Mg]Cl MC116049 [0,0,0,0,0,0|4,0,0]=4 8 B6R0.4 CC(C)=CC[Zn]Cl MC116080 [0,0,0,0,0,0|4,0,0]=4 9 B6R0.4 CC(C)CCCO MC428025 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.4 CC(C)NCCN MC20461 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.4 CCCCC(=O)Cl MC40508 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.4 CN(C)CCCBr CS22184 [0,0,0,0,0,0|4,0,0]=4 13 B6R0.4 CN(C)CCCCl CS13505 [0,0,0,0,0,0|4,0,0]=4 14 B6R0.4 CN(C)CCCCl CS14943 [0,0,0,0,0,0|4,0,0]=4 15 B6R0.4 CNCCN(C)C CS11723 [0,0,0,0,0,0|4,0,0]=4 16 B6R0.4 CNCCN(C)C CS15131 [0,0,0,0,0,0|4,0,0]=4 17 B6R0.4 CO\C=C\C(C)=O MC33352 [0,0,0,0,0,0|2,0,1]=3 18 B6R0.4 N#CCCC(=O)O CS22262 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.4 NCCCC(=O)O CS14998 [0,0,0,0,0,0|3,0,0]=3 20 B6R0.4 NCCCC(N)=O MC112262 [0,0,0,0,0,0|3,0,0]=3 21 B6R0.4 O=C(Cl)CCCCl MC40450 [0,0,0,0,0,0|3,0,0]=3 22 B6R0.4 O=C(O)CCCBr CS14053 [0,0,0,0,0,0|3,0,0]=3 23 B5R0.1 C=C(C)CCBr CS14513 [1,0,0,0,0,0|2,0,0]=3 24 B5R0.1 CC#CC(=O)O MC20776 [1,0,0,0,0,0|1,0,2]=4 25 B5R0.1 CC(=O)\C=N\O CS11520 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.1 CC(=O)\C=N\O CS18968 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 CC(C)=CCBr MC41900 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.1 CC(N)CCO CS14355 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.1 CC(N)CCO CS14356 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.1 CC(N)CCO CS22096 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.1 CCCB(O)O CS14802 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.1 CCCC(C)=O CS21731 [1,0,0,0,0,0|0,0,0]=1 33 B5R0.1 CCC[N+](=O)[O-] MC428297 [1,0,0,0,0,0|2,0,0]=3 34 B5R0.1 CCOC(=N)N CS11818 [1,0,0,0,0,0|2,0,0]=3 35 B5R0.1 CN(C)CCBr CS10949 [1,0,0,0,0,0|3,0,0]=4 36 B5R0.1 CN(C)CCCl CS14471 [1,0,0,0,0,0|3,0,0]=4 37 B5R0.1 CN(C)CCCl CS17225 [1,0,0,0,0,0|3,0,0]=4 38 B5R0.1 CN(C)CCN CS18603 [1,0,0,0,0,0|3,0,0]=4 39 B5R0.1 CN(C)CCO CS11733 [1,0,0,0,0,0|3,0,0]=4 40 B5R0.1 CNCC(=O)O CS18595 [1,0,0,0,0,0|2,0,0]=3 41 B5R0.1 CNCC(N)=O MC438151 [1,0,0,0,0,0|2,0,0]=3 42 B5R0.1 COCC(=O)Cl MC40491 [1,0,0,0,0,0|2,0,0]=3 43 B5R0.1 COCC(=O)O CS11579 [1,0,0,0,0,0|2,0,0]=3 44 B5R0.1 COCC(C)N CS15401 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.1 COCC(C)O CS20249 [1,0,0,0,0,0|1,0,2]=4 46 B5R0.1 COCC(C)O CS20309 [1,0,0,0,0,0|1,0,2]=4 47 B5R0.1 COCC(C)O CS20741 [1,0,0,0,0,0|1,0,2]=4 48 B5R0.1 COCC(N)=O MC41924 [1,0,0,0,0,0|2,0,0]=3 49 B5R0.1 COCC(N)=S MC102255 [1,0,0,0,0,0|2,1,0]=4 50 B5R0.1 CSCC(=O)Cl MC106201 [1,0,0,0,0,0|2,0,0]=3 51 B5R0.1 CSCC(N)=O CS12608 [1,0,0,0,0,0|2,0,0]=3 52 B5R0.1 C\C=C\C(=O)O MC41882 [1,0,0,0,0,0|1,0,2]=4 53 B5R0.1 N#CCC(=O)O MC41881 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.1 N#CCC(N)=O CS18594 [1,0,0,0,0,0|2,0,1]=4 55 B5R0.1 NCCC(=O)O CS13499 [1,0,0,0,0,0|2,0,0]=3 56 B5R0.1 NCCC(N)=O MC436150 [1,0,0,0,0,0|2,0,0]=3 57 B5R0.1 O=C(O)CCO MC20638 [1,0,0,0,0,0|2,0,0]=3 58 B5R0.2 CCCCCBr CS20657 [1,0,0,0,0,0|2,0,1]=4 59 B5R0.2 CCCC[Zn]Br MC121334 [1,0,0,0,0,0|3,0,0]=4 60 B5R0.2 CCOCCBr CS21396 [1,0,0,0,0,0|1,0,1]=3 61 B5R0.2 CCOCCCl MC428008 [1,0,0,0,0,0|1,0,1]=3 62 B5R0.2 CNCCCO CS14200 [1,0,0,0,0,0|3,0,0]=4 63 B5R0.2 CNCCNC CS15116 [1,0,0,0,0,0|3,0,0]=4 64 B5R0.2 CNCCOC MC427349 [1,0,0,0,0,0|3,0,0]=4 65 B5R0.2 COCCCBr CS20649 [1,0,0,0,0,0|3,0,0]=4 66 B5R0.2 COCCCO CS20039 [1,0,0,0,0,0|3,0,0]=4 67 B5R0.2 COCCOC MC41899 [1,0,0,0,0,0|3,0,0]=4 68 B5R0.2 COCCOC MC445008 [1,0,0,0,0,0|3,0,0]=4 69 B5R0.2 C\C=C\C[Pd]Cl MC444919 [1,0,0,0,0,0|3,0,0]=4 70 B7R0.2 CCC(=O)CC(C)=O CS21124 [0,1,0,0,0,0|1,0,1]=3 71 B7R0.2 CCC(=O)OC(C)=O CS16382 [0,1,0,0,0,0|0,0,1]=2 72 B7R0.2 COC(=O)CC(C)=O MC41927 [0,1,0,0,0,0|2,0,1]=4 73 B7R0.2 NCC(O)CC(=O)O CS16710 [0,1,0,0,0,0|3,0,0]=4 74 B7R0.3 C#CCCC(=O)OC MC424002 [0,1,0,0,0,0|1,0,2]=4 75 B7R0.3 C=CCOC(=O)CCl MC428296 [0,1,0,0,0,0|0,0,2]=3 76 B7R0.3 COC(=O)CCC=O MC21172 [0,1,0,0,0,0|2,0,1]=4 77 B7R0.3 COC(=O)CCCBr MC427387 [0,1,0,0,0,0|2,0,0]=3 78 B7R0.3 COC(=O)CCCN MC439309 [0,1,0,0,0,0|2,0,0]=3 79 B7R0.3 COC(=O)\C=C\CBr CS13509 [0,1,0,0,0,0|2,0,1]=4 80 B7R0.3 COCCC(=O)NN MC111753 [0,1,0,0,0,0|3,0,0]=4 81 B7R0.3 CO\C=C\C(=O)OC CS11630 [0,1,0,0,0,0|2,0,1]=4 82 B7R0.4 C#CCCCC(=O)O CS14686 [0,1,0,0,0,0|2,0,1]=4 83 B7R0.4 CC#CCOC(C)=O MC434061 [0,1,0,0,0,0|0,0,1]=2 84 B7R0.4 CC(=O)CCCCBr CS10627 [0,1,0,0,0,0|1,0,0]=2 85 B7R0.4 CC(O)CCCCO MC112436 [0,1,0,0,0,0|1,0,2]=4 86 B7R0.4 CCCCCC(C)O CS21570 [0,1,0,0,0,0|1,0,2]=4 87 B7R0.4 CCCOCC(=O)O MC425744 [0,1,0,0,0,0|1,0,0]=2 88 B7R0.4 CCC\C=C\C(C)=O MC20875 [0,1,0,0,0,0|1,0,0]=2 89 B7R0.4 CCO\C=C\C(=O)Cl MC425808 [0,1,0,0,0,0|2,0,1]=4 90 B7R0.4 CCO\C=C\C(=O)Cl MC427603 [0,1,0,0,0,0|2,0,1]=4 91 B7R0.4 CCO\C=C\C(=O)O CS22271 [0,1,0,0,0,0|2,0,1]=4 92 B7R0.4 CN(C)CCCCO CS22813 [0,1,0,0,0,0|3,0,0]=4 93 B7R0.4 COCCCC(C)N MC112163 [0,1,0,0,0,0|2,0,1]=4 94 B7R0.4 NCCCCC(=O)O MC428108 [0,1,0,0,0,0|2,0,0]=3 95 B7R0.4 NCCNCC(=O)O MC436179 [0,1,0,0,0,0|3,0,0]=4 96 B7R0.4 O=C(O)CCCCBr MC41866 [0,1,0,0,0,0|2,0,0]=3 97 B7R0.5 CCCC(N)C(=O)O CS10518 [0,1,0,0,0,0|2,0,0]=3 98 B7R0.5 CCCC(N)C(=O)O CS17028 [0,1,0,0,0,0|2,0,0]=3 99 B7R0.5 CCCC(N)C(=O)O MC439125 [0,1,0,0,0,0|2,0,0]=3 100 B7R0.5 CCCC(N)C(N)=O MC438024 [0,1,0,0,0,0|2,0,0]=3 101 B7R0.5 COCC(N)C(=O)O CS12183 [0,1,0,0,0,0|3,0,0]=4 102 B7R0.5 COCC(N)C(=O)O CS16755 [0,1,0,0,0,0|3,0,0]=4 103 B7R0.5 COCC(N)C(=O)O CS20335 [0,1,0,0,0,0|3,0,0]=4 104 B7R0.5 CSCC(N)C(=O)O MC439293 [0,1,0,0,0,0|3,0,0]=4 105 B7R0.5 C[Se]CC(N)C(=O)O MC435442 [0,1,0,0,0,0|3,0,0]=4 106 B7R0.5 C[Se]CC(N)C(=O)O MC435443 [0,1,0,0,0,0|3,0,0]=4 107 B7R0.5 NC(CCO)C(=O)O CS13886 [0,1,0,0,0,0|3,0,0]=4 108 B7R0.5 NC(CCO)C(=O)O CS16701 [0,1,0,0,0,0|3,0,0]=4 109 B7R0.5 NC(CCO)C(=O)O CS22620 [0,1,0,0,0,0|3,0,0]=4 110 B7R0.5 NCCC(N)C(=O)O CS13874 [0,1,0,0,0,0|3,0,0]=4 111 B7R0.5 NCCC(N)C(=O)O CS15080 [0,1,0,0,0,0|3,0,0]=4 112 B7R0.5 NCCC(N)C(=O)O MC436921 [0,1,0,0,0,0|3,0,0]=4 113 B7R0.5 NCCC(N)C(=O)O MC439091 [0,1,0,0,0,0|3,0,0]=4 114 B7R0.5 NCCC(N)C(=O)O MC439321 [0,1,0,0,0,0|3,0,0]=4 115 B7R0.5 NCCC(O)C(=O)O CS15496 [0,1,0,0,0,0|3,0,0]=4 116 B7R0.5 NCCC(O)C(=O)O CS21759 [0,1,0,0,0,0|3,0,0]=4 117 B7R0.6 C=C(C)CCC(=O)O CS16527 [0,1,0,0,0,0|2,0,1]=4 118 B7R0.6 CC(=O)CCC(=O)O CS18688 [0,1,0,0,0,0|2,0,1]=4 119 B7R0.6 CC(=O)NCC(=O)O CS19131 [0,1,0,0,0,0|2,0,1]=4 120 B7R0.6 CC(C)CCC(=O)Cl MC20895 [0,1,0,0,0,0|2,0,0]=3 121 B7R0.6 CC(C)CCC(C)N MC446673 [0,1,0,0,0,0|2,0,1]=4 122 B7R0.6 CC(C)CO[N+](=O)[O-] MC434046 [0,1,0,0,0,0|2,0,0]=3 123 B7R0.6 CC(N)CCC(=O)O MC435302 [0,1,0,0,0,0|2,0,0]=3 124 B7R0.6 CN(C)CCC(=O)O CS12169 [0,1,0,0,0,0|3,0,0]=4 125 B7R0.8 CCCCS(=O)(=O)Cl MC32076 [0,1,0,0,0,0|3,0,0]=4 126 B7R0.8 CCCCS(=O)(=O)F MC32077 [0,1,0,0,0,0|3,0,0]=4 127 B7R0.8 CCCCS(=O)(=O)O MC32078 [0,1,0,0,0,0|3,0,0]=4 128 B7R0.8 CCCCS(=O)(=O)[O-] MC32079 [0,1,0,0,0,0|3,0,0]=4 129 B7R0.8 CCCCS(N)(=O)=O MC32080 [0,1,0,0,0,0|3,0,0]=4 130 B7R0.8 CS(=O)(=O)NCCI MC115998 [0,1,0,0,0,0|3,0,0]=4 131 B7R1.2 CC1=CC(=O)CC1 CS22356 [0,0,0,1,0,0|1,0,2]=4 132 B7R1.2 CC1=CC(=O)CO1 MC429080 [0,0,0,1,0,0|2,0,1]=4 133 B7R1.2 CC1=CC(C)=NO1 CS14107 [0,0,0,1,0,0|2,0,1]=4 134 B7R1.2 CC1=NC(C)CO1 MC428186 [0,0,0,1,0,0|1,0,0]=2 135 B7R1.2 CC1=NNC(=O)C1 CS16242 [0,0,0,1,0,0|2,0,1]=4 136 B7R1.2 CC1CCC(C)N1 MC102818 [0,0,0,1,0,0|2,0,1]=4 137 B7R1.2 CC1COC(=O)N1 CS14300 [0,0,0,1,0,0|1,0,0]=2 138 B7R1.2 CC1COC(=O)O1 MC428298 [0,0,0,1,0,0|1,0,0]=2 139 B7R1.2 CN1CCC(=O)C1 CS20760 [0,0,0,1,0,0|2,0,0]=3 140 B7R1.2 NC1CNC(=O)C1 MC103473 [0,0,0,1,0,0|2,0,0]=3 141 B7R1.2 NC1COC(=O)C1 CS14340 [0,0,0,1,0,0|1,0,0]=2 142 B7R1.2 NC1COC(=O)C1 CS14674 [0,0,0,1,0,0|1,0,0]=2 143 B7R1.2 O=C1CC(O)CN1 CS14706 [0,0,0,1,0,0|2,0,0]=3 144 B7R1.2 O=C1CC(O)CN1 CS16472 [0,0,0,1,0,0|2,0,0]=3 145 B7R1.2 O=C1CCC(I)C1 MC115016 [0,0,0,1,0,0|2,0,0]=3 146 B7R1.2 O=C1CNC(=O)C1 MC116520 [0,0,0,1,0,0|2,0,1]=4 147 B7R1.3 BrC1CCCCC1 CS11079 [0,0,0,1,0,0|2,0,1]=4 148 B7R1.3 CC1CCCCN1 MC20418 [0,0,0,1,0,0|2,0,1]=4 149 B7R1.3 CC1CNCCO1 CS14515 [0,0,0,1,0,0|2,0,1]=4 150 B7R1.3 CC1CNCCO1 CS14521 [0,0,0,1,0,0|2,0,1]=4 151 B7R1.3 CC1CNCCO1 CS19299 [0,0,0,1,0,0|2,0,1]=4 152 B7R1.3 CC1CNCCO1 CS21692 [0,0,0,1,0,0|2,0,1]=4 153 B7R1.3 CC1CNCCO1 MC444038 [0,0,0,1,0,0|2,0,1]=4 154 B7R1.3 CC1CNCCO1 MC444192 [0,0,0,1,0,0|2,0,1]=4 155 B7R1.3 O=C1C=CCCC1 MC41883 [0,0,0,1,0,0|1,0,1]=3 156 B7R1.3 O=C1C=CCCN1 CS15771 [0,0,0,1,0,0|1,0,2]=4 157 B7R1.3 O=C1C=CCOC1 CS17023 [0,0,0,1,0,0|2,0,1]=4 158 B7R1.3 O=C1CCCCN1 MC429045 [0,0,0,1,0,0|1,0,0]=2 159 B7R1.3 O=C1CCCCO1 CS11208 [0,0,0,1,0,0|0,0,0]=1 160 B7R1.3 O=C1CCCNC1 CS14768 [0,0,0,1,0,0|2,0,0]=3 161 B7R1.3 O=C1CCCNC1 CS17767 [0,0,0,1,0,0|2,0,0]=3 162 B7R1.3 O=C1CCCOC1 MC31097 [0,0,0,1,0,0|2,0,0]=3 163 B7R1.3 O=C1CCNCC1 CS22790 [0,0,0,1,0,0|2,0,0]=3 164 B7R1.3 O=C1CCOCC1 CS13380 [0,0,0,1,0,0|2,0,0]=3 165 B7R1.3 O=C1CCSCC1 CS18797 [0,0,0,1,0,0|2,0,0]=3 166 B7R1.3 O=C1CNCCN1 CS19142 [0,0,0,1,0,0|2,0,0]=3 167 B7R1.3 O=C1CNCCO1 MC441004 [0,0,0,1,0,0|1,0,0]=2 168 B7R1.3 O=C1COCCN1 CS11697 [0,0,0,1,0,0|2,0,0]=3 169 B7R1.3 O=C1COCCO1 MC20725 [0,0,0,1,0,0|1,0,0]=2 170 B7R1.10 NCC1CC(=O)C1 MC444212 [0,0,0,1,0,0|2,0,0]=3 171 B7R1.10 NCC1CC(=O)N1 MC111758 [0,0,0,1,0,0|2,0,0]=3 172 B7R1.10 O=C1CC(CI)N1 MC111759 [0,0,0,1,0,0|2,0,0]=3 173 B7R1.10 O=C1CC(CO)C1 MC113039 [0,0,0,1,0,0|2,0,0]=3 174 B7R1.12 CC1CC1C(=O)O MC100841 [0,0,0,1,0,0|2,0,0]=3 175 B7R1.12 CC1CC1C(=O)O MC103281 [0,0,0,1,0,0|2,0,0]=3 176 B7R1.12 CC1CC1C(N)=O MC425328 [0,0,0,1,0,0|2,0,0]=3 177 B7R1.12 NC(=O)C1CC1F MC102846 [0,0,0,1,0,0|3,0,0]=4 178 B7R1.12 O=C(O)C1CC1Br MC430635 [0,0,0,1,0,0|3,0,0]=4 179 B7R1.12 O=C(O)C1CC1F MC21162 [0,0,0,1,0,0|3,0,0]=4 180 B7R1.12 O=C(O)C1CC1F MC425300 [0,0,0,1,0,0|3,0,0]=4 181 B7R1.12 O=C(O)C1CC1F MC425301 [0,0,0,1,0,0|3,0,0]=4 182 B7R1.12 O=C(O)C1CC1F MC425302 [0,0,0,1,0,0|3,0,0]=4 183 B7R1.12 O=C(O)C1CC1F MC425316 [0,0,0,1,0,0|3,0,0]=4 184 B7R1.12 O=C(O)C1CC1I MC102749 [0,0,0,1,0,0|3,0,0]=4 185 B7R1.12 O=C(O)C1CC1I MC425298 [0,0,0,1,0,0|3,0,0]=4 186 B7R1.14 CC1(O)CCCC1 CS20768 [0,0,0,1,0,0|1,0,2]=4 187 B7R1.18 CC(O)C1CCC1 CS20672 [0,0,0,1,0,0|1,0,2]=4 188 B7R1.18 NC(=O)C1CNC1 MC10515 [0,0,0,1,0,0|3,0,0]=4 189 B7R1.18 NC(=O)C1CNC1 MC10516 [0,0,0,1,0,0|3,0,0]=4 190 B7R1.18 O=C(O)C1CCC1 CS22786 [0,0,0,1,0,0|2,0,0]=3 191 B7R1.18 O=C(O)C1CCN1 CS16493 [0,0,0,1,0,0|3,0,0]=4 192 B7R1.18 O=C(O)C1CCN1 CS16972 [0,0,0,1,0,0|3,0,0]=4 193 B7R1.18 O=C(O)C1CCN1 CS18844 [0,0,0,1,0,0|3,0,0]=4 194 B7R1.18 O=C(O)C1CCN1 MC436280 [0,0,0,1,0,0|3,0,0]=4 195 B7R1.18 O=C(O)C1CCO1 MC115721 [0,0,0,1,0,0|3,0,0]=4 196 B7R1.18 O=C(O)C1CNC1 CS16485 [0,0,0,1,0,0|3,0,0]=4 197 B7R1.18 O=C(O)C1COC1 CS22389 [0,0,0,1,0,0|3,0,0]=4 198 B7R1.18 O=C(O)C1CSC1 MC100118 [0,0,0,1,0,0|3,0,0]=4 199 B7R1.20 N=C(N)CC1CC1 MC114877 [0,0,0,1,0,0|3,0,0]=4 200 B7R1.20 O=C(O)CC1CC1 MC433946 [0,0,0,1,0,0|2,0,0]=3 201 B4R0.1 CC(=O)CBr MC20986 [2,0,0,0,0,0|1,0,0]=3 202 B4R0.1 CC(=O)CN CS10921 [2,0,0,0,0,0|1,0,0]=3 203 B4R0.1 CC(=O)CO CS11467 [2,0,0,0,0,0|1,0,0]=3 204 B4R0.1 CC(=O)NN CS10881 [2,0,0,0,0,0|2,0,0]=4 205 B4R0.1 CC(=O)NO CS14961 [2,0,0,0,0,0|2,0,0]=4 206 B4R0.1 CCC(C)O MC10786 [2,0,0,0,0,0|0,0,2]=4 207 B4R0.1 CCC(N)=O CS11886 [2,0,0,0,0,0|1,0,0]=3 208 B4R0.1 CNC(N)=O MC10792 [2,0,0,0,0,0|2,0,0]=4 209 B4R0.1 COC(N)=O CS11667 [2,0,0,0,0,0|1,0,0]=3 210 B4R0.1 COC(N)=[NH2+] CS11820 [2,0,0,0,0,0|2,0,0]=4 211 B4R0.1 C\C=C(/C)Br MC10255 [2,0,0,0,0,0|1,0,1]=4 212 B4R0.1 NC(=O)CBr CS21389 [2,0,0,0,0,0|2,0,0]=4 213 B4R0.1 NCC(=O)O CS19951 [2,0,0,0,0,0|2,0,0]=4 214 B4R0.1 NCC(=O)[O-] CS10910 [2,0,0,0,0,0|2,0,0]=4 215 B4R0.1 NCC(=O)[O-] MC20522 [2,0,0,0,0,0|2,0,0]=4 216 B4R0.1 NCC(N)=O CS13806 [2,0,0,0,0,0|2,0,0]=4 217 B4R0.1 NCC(N)=O MC437712 [2,0,0,0,0,0|2,0,0]=4 218 B4R0.1 O=C(Cl)CBr MC21000 [2,0,0,0,0,0|2,0,0]=4 219 B4R0.1 O=C(O)CCl MC41871 [2,0,0,0,0,0|2,0,0]=4 220 B4R0.1 O=C(O)CO CS19334 [2,0,0,0,0,0|2,0,0]=4 221 B4R0.1 O=C([O-])CCl MC41872 [2,0,0,0,0,0|2,0,0]=4 222 B4R0.2 C=COCC MC41915 [2,0,0,0,0,0|0,0,1]=3 223 B4R0.2 CCCC=O MC41868 [2,0,0,0,0,0|0,0,0]=2 224 B4R0.2 CCCCO MC41869 [2,0,0,0,0,0|0,0,2]=4 225 B4R0.2 CCC[Zn]Br MC121348 [2,0,0,0,0,0|2,0,0]=4 226 B4R0.2 CCNCC CS11240 [2,0,0,0,0,0|1,0,1]=4 227 B4R0.2 CCOC=N MC33024 [2,0,0,0,0,0|1,0,0]=3 228 B4R0.2 CCOC=O MC41912 [2,0,0,0,0,0|0,0,0]=2 229 B4R0.2 CCOCC MC41960 [2,0,0,0,0,0|0,0,1]=3 230 B4R0.2 CC[Zn]CC MC10752 [2,0,0,0,0,0|1,0,1]=4 231 B4R0.2 CNCCO CS20910 [2,0,0,0,0,0|2,0,0]=4 232 B4R0.2 COCC#N MC40783 [2,0,0,0,0,0|1,0,1]=4 233 B4R0.2 COCCCl MC428007 [2,0,0,0,0,0|1,0,0]=3 234 B4R0.2 C\C=C\C=O MC41879 [2,0,0,0,0,0|0,0,2]=4 235 B6R0.1 C#CC(=O)OCC MC434052 [1,1,0,0,0,0|0,0,1]=3 236 B6R0.1 CCCC(=O)NN CS22544 [1,1,0,0,0,0|1,0,0]=3 237 B6R0.1 CCCC(C)CBr MC112368 [1,1,0,0,0,0|1,0,1]=4 238 B6R0.1 CCCC(O)CO CS20495 [1,1,0,0,0,0|0,0,2]=4 239 B6R0.1 CCNC(=O)NC MC428152 [1,1,0,0,0,0|1,0,0]=3 240 B6R0.1 CCOC(=O)CBr MC41907 [1,1,0,0,0,0|0,0,0]=2 241 B6R0.1 CCOC(=O)CCl MC41910 [1,1,0,0,0,0|0,0,0]=2 242 B6R0.1 CCOC(=O)CN CS15347 [1,1,0,0,0,0|0,0,0]=2 243 B6R0.1 CCOC(=O)CO CS11386 [1,1,0,0,0,0|0,0,0]=2 244 B6R0.1 CCOC(=O)NN CS11383 [1,1,0,0,0,0|1,0,0]=3 245 B6R0.1 CNC(=O)CC#N CS18404 [1,1,0,0,0,0|1,0,1]=4 246 B6R0.1 CNC(=O)CCN MC112263 [1,1,0,0,0,0|1,0,0]=3 247 B6R0.1 CNCC(=O)OC MC438154 [1,1,0,0,0,0|1,0,0]=3 248 B6R0.1 COC(=O)CC#N MC428339 [1,1,0,0,0,0|1,0,1]=4 249 B6R0.1 COC(=O)CCBr CS18993 [1,1,0,0,0,0|1,0,0]=3 250 B6R0.1 COC(=O)CCN CS22266 [1,1,0,0,0,0|1,0,0]=3 251 B6R0.1 COCC(=O)NN CS11580 [1,1,0,0,0,0|2,0,0]=4 252 B6R0.1 C\C=C\C(=O)OC MC41953 [1,1,0,0,0,0|0,0,2]=4 253 B6R0.1 O=C(CCl)NCO CS14580 [1,1,0,0,0,0|2,0,0]=4 254 B6R0.2 CC(=O)\C=C(/C)N MC105899 [1,1,0,0,0,0|0,0,2]=4 255 B6R0.2 CC(Br)CC(=O)O MC106689 [1,1,0,0,0,0|1,0,0]=3 256 B6R0.2 CC(Br)CC(N)=S MC106193 [1,1,0,0,0,0|1,1,0]=4 257 B6R0.2 CC(N)CC(=O)O CS19028 [1,1,0,0,0,0|1,0,0]=3 258 B6R0.2 CC(N)CC(=O)O CS20346 [1,1,0,0,0,0|1,0,0]=3 259 B6R0.2 CC(N)CC(=O)O MC439098 [1,1,0,0,0,0|1,0,0]=3 260 B6R0.2 CC(O)CC(=O)O MC426020 [1,1,0,0,0,0|1,0,0]=3 261 B6R0.2 CC(O)CC(=O)O MC426021 [1,1,0,0,0,0|1,0,0]=3 262 B6R0.2 CC(O)CC(=O)[O-] CS20253 [1,1,0,0,0,0|1,0,0]=3 263 B6R0.2 CN(C)CC(=O)O CS13413 [1,1,0,0,0,0|2,0,0]=4 264 B6R0.2 NC([SeH])CC(=O)O MC435590 [1,1,0,0,0,0|2,0,0]=4 265 B6R0.2 NC([SeH])CC(=O)O MC435591 [1,1,0,0,0,0|2,0,0]=4 266 B6R0.3 CC(CN)C(=O)O MC105846 [1,1,0,0,0,0|2,0,0]=4 267 B6R0.3 CC(CN)C(=O)O MC105847 [1,1,0,0,0,0|2,0,0]=4 268 B6R0.3 CCC(=O)C(=O)O CS21626 [1,1,0,0,0,0|1,0,1]=4 269 B6R0.3 CCC(Br)C(=O)O MC426015 [1,1,0,0,0,0|1,0,0]=3 270 B6R0.3 CCC(Cl)C(=O)O MC426016 [1,1,0,0,0,0|1,0,0]=3 271 B6R0.3 CCC(N)C(=O)O CS13661 [1,1,0,0,0,0|1,0,0]=3 272 B6R0.3 CCC(N)C(=O)O CS14054 [1,1,0,0,0,0|1,0,0]=3 273 B6R0.3 CCC(N)C(=O)O CS14084 [1,1,0,0,0,0|1,0,0]=3 274 B6R0.3 CCC(N)C(N)=O CS15891 [1,1,0,0,0,0|1,0,0]=3 275 B6R0.3 CCC(N)C(N)=O MC436006 [1,1,0,0,0,0|1,0,0]=3 276 B6R0.3 CNC(C)C(=O)O MC428068 [1,1,0,0,0,0|2,0,0]=4 277 B6R0.3 CNC(C)C(=O)O MC428076 [1,1,0,0,0,0|2,0,0]=4 278 B6R0.3 CNC(C)C(=O)O MC428084 [1,1,0,0,0,0|2,0,0]=4 279 B6R0.3 COC(C)C(=O)O CS14024 [1,1,0,0,0,0|2,0,0]=4 280 B6R0.3 COC(C)C(=O)O MC425243 [1,1,0,0,0,0|2,0,0]=4 281 B6R0.3 CON(C)C(C)=O CS11789 [1,1,0,0,0,0|2,0,0]=4 282 B6R0.3 NC(=O)C(N)CO MC438160 [1,1,0,0,0,0|2,0,0]=4 283 B6R0.3 NC(CCl)C(=O)O MC436849 [1,1,0,0,0,0|2,0,0]=4 284 B6R0.3 NC(CCl)C(=O)O MC436850 [1,1,0,0,0,0|2,0,0]=4 285 B6R0.3 NC(CCl)C(=O)O MC436851 [1,1,0,0,0,0|2,0,0]=4 286 B6R0.3 NC(CCl)C(=O)O MC436852 [1,1,0,0,0,0|2,0,0]=4 287 B6R0.3 NC(CF)C(=O)O MC437009 [1,1,0,0,0,0|2,0,0]=4 288 B6R0.3 NC(CO)C(=O)O CS14731 [1,1,0,0,0,0|2,0,0]=4 289 B6R0.3 NC(CO)C(=O)O CS18949 [1,1,0,0,0,0|2,0,0]=4 290 B6R0.3 NC(CO)C(=O)O CS19144 [1,1,0,0,0,0|2,0,0]=4 291 B6R0.3 NC(CS)C(=O)O CS19113 [1,1,0,0,0,0|2,0,0]=4 292 B6R0.3 NC(CS)C(=O)O CS19417 [1,1,0,0,0,0|2,0,0]=4 293 B6R0.3 NC(CS)C(=O)O CS19655 [1,1,0,0,0,0|2,0,0]=4 294 B6R0.3 NC(CS)C(=O)O MC428046 [1,1,0,0,0,0|2,0,0]=4 295 B6R0.3 NC(CS)C(=O)O MC436887 [1,1,0,0,0,0|2,0,0]=4 296 B6R0.3 NC(CS)C(=O)O MC436888 [1,1,0,0,0,0|2,0,0]=4 297 B6R0.3 NC(CS)C(=O)O MC439001 [1,1,0,0,0,0|2,0,0]=4 298 B6R0.3 NC(C[SeH])C(=O)O MC435423 [1,1,0,0,0,0|2,0,0]=4 299 B6R0.3 NCC(N)C(=O)O CS14756 [1,1,0,0,0,0|2,0,0]=4 300 B6R0.3 NCC(N)C(=O)O CS19624 [1,1,0,0,0,0|2,0,0]=4 301 B6R0.3 NCC(N)C(=O)O CS19672 [1,1,0,0,0,0|2,0,0]=4 302 B6R0.3 NCC(O)C(=O)O CS20294 [1,1,0,0,0,0|2,0,0]=4 303 B6R0.3 NCC(O)C(=O)O MC437816 [1,1,0,0,0,0|2,0,0]=4 304 B6R0.3 O=C(O)C(Br)CBr CS15215 [1,1,0,0,0,0|2,0,0]=4 305 B6R0.3 O=C(O)C(O)CCl MC10790 [1,1,0,0,0,0|2,0,0]=4 306 B6R0.5 CCCS(=O)(=O)Cl MC20992 [1,1,0,0,0,0|2,0,0]=4 307 B6R0.5 CCCS(=O)(=O)O MC32073 [1,1,0,0,0,0|2,0,0]=4 308 B6R0.5 CCCS(=O)(=O)[O-] MC32074 [1,1,0,0,0,0|2,0,0]=4 309 B6R0.5 CCCS(N)(=O)=O MC32075 [1,1,0,0,0,0|2,0,0]=4 310 B6R0.5 CCOS(C)(=O)=O MC445528 [1,1,0,0,0,0|1,0,0]=3 311 B6R0.5 CS(=O)(=O)CCN CS21301 [1,1,0,0,0,0|2,0,0]=4 312 B6R0.6 C=CCCCCCl MC427568 [1,1,0,0,0,0|1,0,1]=4 313 B6R0.6 C=CCCCCN MC111853 [1,1,0,0,0,0|1,0,1]=4 314 B6R0.6 C=CCCCCO CS10397 [1,1,0,0,0,0|1,0,1]=4 315 B6R0.6 C=COCCCN MC41859 [1,1,0,0,0,0|0,0,1]=3 316 B6R0.6 C=COCCON MC106384 [1,1,0,0,0,0|1,0,1]=4 317 B6R0.6 CCCOCCCl MC428009 [1,1,0,0,0,0|0,0,1]=3 318 B6R0.6 COCCCC=O MC111975 [1,1,0,0,0,0|1,0,0]=3 319 B6R0.6 COCCCCBr CS22933 [1,1,0,0,0,0|2,0,0]=4 320 B6R0.6 COCCCCCl MC428014 [1,1,0,0,0,0|2,0,0]=4 321 B6R0.6 ClCCOCCCl MC41873 [1,1,0,0,0,0|1,0,1]=4 322 B6R0.6 OCCOCCO MC41893 [1,1,0,0,0,0|1,0,1]=4 323 B6R0.6 SCCOCCS MC112783 [1,1,0,0,0,0|1,0,1]=4 324 B8R0.2 CCC(C)C(N)C(=O)O MC20633 [0,2,0,0,0,0|2,0,0]=4 325 B8R0.2 CCC(C)C(N)C(=O)O MC437790 [0,2,0,0,0,0|2,0,0]=4 326 B8R0.2 CCC(C)C(N)C(=O)O MC437791 [0,2,0,0,0,0|2,0,0]=4 327 B8R0.2 CCC(C)C(N)C(=O)O MC437792 [0,2,0,0,0,0|2,0,0]=4 328 B8R0.2 CCC(C)C(N)C(=O)O MC437793 [0,2,0,0,0,0|2,0,0]=4 329 B8R0.2 CCC(C)C(N)C(=O)O MC437794 [0,2,0,0,0,0|2,0,0]=4 330 B8R0.2 CCC(C)C(N)C(N)=O MC437802 [0,2,0,0,0,0|2,0,0]=4 331 B8R0.5 CCOC(=O)CC(C)=O MC41905 [0,2,0,0,0,0|1,0,1]=4 332 B8R0.19 CCC(=O)CC(=O)CC CS22007 [0,2,0,0,0,0|1,0,1]=4 333 B8R0.19 CCC(=O)CC(=O)OC CS18389 [0,2,0,0,0,0|1,0,1]=4 334 B8R0.19 COC(=O)CC(O)CCl CS18252 [0,2,0,0,0,0|2,0,0]=4 335 B8R0.19 O=C(CF)OC(=O)CF MC107082 [0,2,0,0,0,0|1,0,1]=4 336 B8R0.23 CC(=O)CC(=O)C(C)C MC41930 [0,2,0,0,0,0|1,0,1]=4 337 B8R0.23 CC(C)C(C)CC(=O)O MC112320 [0,2,0,0,0,0|2,0,0]=4 338 B8R0.23 CC(C)CC(Br)C(=O)O CS14792 [0,2,0,0,0,0|2,0,0]=4 339 B8R0.23 CC(C)CC(N)C(=O)O CS18600 [0,2,0,0,0,0|2,0,0]=4 340 B8R0.23 CC(C)CC(N)C(=O)O CS18604 [0,2,0,0,0,0|2,0,0]=4 341 B8R0.23 CC(C)CC(N)C(=O)O CS22248 [0,2,0,0,0,0|2,0,0]=4 342 B8R0.23 CC(C)CC(N)C(N)=O MC437832 [0,2,0,0,0,0|2,0,0]=4 343 B8R0.23 CC(C)CC(N)C(N)=O MC437833 [0,2,0,0,0,0|2,0,0]=4 344 B8R0.23 CC(C)CC(N)C(N)=O MC437834 [0,2,0,0,0,0|2,0,0]=4 345 B8R0.23 CC(C)CC(N)C(N)=O MC437835 [0,2,0,0,0,0|2,0,0]=4 346 B8R0.23 CC(C)CC(N)C(N)=O MC437836 [0,2,0,0,0,0|2,0,0]=4 347 B8R0.23 CC(C)CC(O)C(=O)O MC426019 [0,2,0,0,0,0|2,0,0]=4 348 B8R0.23 CC(C)CC(O)C(=O)O MC437768 [0,2,0,0,0,0|2,0,0]=4 349 B8R0.23 CC(C)CC(O)C(=O)O MC446675 [0,2,0,0,0,0|2,0,0]=4 350 B8R0.1 CCOC(=O)CCCO MC111642 [0,2,0,0,0,0|2,0,0]=4 351 B8R0.3 CCCC(N)C(=O)OC MC438026 [0,2,0,0,0,0|1,0,0]=3 352 B8R0.3 CCOC(=O)C(=O)CBr CS18430 [0,2,0,0,0,0|2,0,0]=4 353 B8R0.3 CCOC(=O)C(=O)CC CS13439 [0,2,0,0,0,0|2,0,0]=4 354 B8R0.3 COC(=O)C(Br)CCBr MC41887 [0,2,0,0,0,0|2,0,0]=4 355 B8R0.6 CCCCNC(=O)CCl CS11766 [0,2,0,0,0,0|1,0,0]=3 356 B8R0.6 CCCSCC(=O)OC MC434048 [0,2,0,0,0,0|0,1,0]=3 357 B8R0.8 CCCCC(N)C(=O)O MC428079 [0,2,0,0,0,0|2,0,0]=4 358 B8R0.8 CCCCC(N)C(=O)O MC428113 [0,2,0,0,0,0|2,0,0]=4 359 B8R0.8 CCCCC(N)C(=O)O MC428121 [0,2,0,0,0,0|2,0,0]=4 360 B8R0.8 CCCCC(N)C(N)=O MC438017 [0,2,0,0,0,0|2,0,0]=4 361 B8R0.8 CN(C)C(=O)CCCN MC112306 [0,2,0,0,0,0|2,0,0]=4 362 B8R0.8 CSCCC(N)C(=O)O CS18644 [0,2,0,0,0,0|2,0,0]=4 363 B8R0.8 CSCCC(N)C(=O)O MC428038 [0,2,0,0,0,0|2,0,0]=4 364 B8R0.8 CSCCC(N)C(=O)O MC428332 [0,2,0,0,0,0|2,0,0]=4 365 B8R0.8 CSCCC(N)C(N)=O MC437951 [0,2,0,0,0,0|2,0,0]=4 366 B8R0.8 CSCCC(N)C(N)=O MC439009 [0,2,0,0,0,0|2,0,0]=4 367 B8R0.8 C[Se]CCC(N)C(=O)O MC435432 [0,2,0,0,0,0|2,0,0]=4 368 B8R0.8 C[Se]CCC(N)C(=O)O MC435562 [0,2,0,0,0,0|2,0,0]=4 369 B8R0.8 NCCCC(N)C(=O)O CS22279 [0,2,0,0,0,0|2,0,0]=4 370 B8R0.8 NCCCC(N)C(=O)O MC438045 [0,2,0,0,0,0|2,0,0]=4 371 B8R0.8 NCCCC(N)C(=O)O MC439200 [0,2,0,0,0,0|2,0,0]=4 372 B8R0.9 C=CC(=O)OCC(C)O CS21600 [0,2,0,0,0,0|0,0,1]=3 373 B8R0.9 CNC(=O)CNC(C)=O MC436060 [0,2,0,0,0,0|1,0,1]=4 374 B8R0.7 COCCOCC(=O)O MC10458 [0,2,0,0,0,0|1,0,0]=3 375 B8R0.7 CSCCCCC(=O)O MC112374 [0,2,0,0,0,0|2,0,0]=4 376 B8R0.7 NCCCCCC(=O)O CS13381 [0,2,0,0,0,0|2,0,0]=4 377 B8R0.7 O=C(O)CCCCCBr CS18405 [0,2,0,0,0,0|2,0,0]=4 378 B8R0.21 CS(=O)(=O)CCCCN MC116558 [0,2,0,0,0,0|2,0,0]=4 379 B8R0.21 NCCCOP(=O)([O-])[O-] MC20565 [0,2,0,0,0,0|2,0,0]=4 380 B8R0.28 CN(C)CCCC(=O)O CS18615 [0,2,0,0,0,0|2,0,0]=4 381 B8R0.15 CCCC(NC)C(=O)O MC435490 [0,2,0,0,0,0|2,0,0]=4 382 B8R0.15 CCCC(NC)C(=O)O MC437925 [0,2,0,0,0,0|2,0,0]=4 383 B6R1.2 CC1=NCCC1 CS21664 [1,0,0,1,0,0|1,0,0]=3 384 B6R1.2 CC1CCCN1 CS18299 [1,0,0,1,0,0|1,0,1]=4 385 B6R1.2 CC1CCCN1 CS18800 [1,0,0,1,0,0|1,0,1]=4 386 B6R1.2 CC1CCCN1 CS19735 [1,0,0,1,0,0|1,0,1]=4 387 B6R1.2 CC1CCCN1 CS21699 [1,0,0,1,0,0|1,0,1]=4 388 B6R1.2 CC1CCCN1 CS21700 [1,0,0,1,0,0|1,0,1]=4 389 B6R1.2 CC1CCCN1 MC428345 [1,0,0,1,0,0|1,0,1]=4 390 B6R1.2 CC1CCCO1 MC20580 [1,0,0,1,0,0|0,0,2]=4 391 B6R1.2 NC1=NCCC1 CS19310 [1,0,0,1,0,0|2,0,0]=4 392 B6R1.2 O=C1CCCC1 MC21085 [1,0,0,1,0,0|0,0,0]=2 393 B6R1.2 O=C1CCNC1 CS22412 [1,0,0,1,0,0|1,0,0]=3 394 B6R1.2 O=C1CCOC1 CS18178 [1,0,0,1,0,0|1,0,0]=3 395 B6R1.2 O=C1CCSC1 MC20305 [1,0,0,1,0,0|1,0,0]=3 396 B6R1.2 O=C1CNCN1 CS15654 [1,0,0,1,0,0|2,0,0]=4 397 B6R1.2 O=C1NCCN1 CS21607 [1,0,0,1,0,0|2,0,0]=4 398 B6R1.2 O=C1NCCS1 CS20525 [1,0,0,1,0,0|1,1,0]=4 399 B6R1.2 O=C1OCCO1 CS20012 [1,0,0,1,0,0|1,0,0]=3 400 B6R1.5 CC1CC(N)C1 MC105778 [1,0,0,1,0,0|1,0,1]=4 401 B6R1.5 NC1CC(=O)C1 MC444232 [1,0,0,1,0,0|1,0,0]=3 402 B6R1.5 O=C1CC(F)C1 MC104154 [1,0,0,1,0,0|1,0,0]=3 403 B6R1.11 CC(I)C1CC1 MC429998 [1,0,0,1,0,0|1,0,1]=4 404 B6R1.11 CC(N)C1CC1 MC428207 [1,0,0,1,0,0|1,0,1]=4 405 B6R1.11 N=C(N)C1CC1 CS16535 [1,0,0,1,0,0|2,0,0]=4 406 B6R1.11 NC(=O)C1CC1 CS16456 [1,0,0,1,0,0|1,0,0]=3 407 B6R1.11 NC(=S)C1CC1 MC21067 [1,0,0,1,0,0|1,1,0]=4 408 B6R1.11 O=C(Cl)C1CC1 MC434039 [1,0,0,1,0,0|1,0,0]=3 409 B6R1.11 O=C(O)C1CC1 CS13839 [1,0,0,1,0,0|1,0,0]=3 410 B6R1.11 O=C([O-])C1CO1 CS17514 [1,0,0,1,0,0|2,0,0]=4 411 B6R1.1 C1=CCNCC1 MC444071 [1,0,0,1,0,0|2,0,0]=4 412 B6R1.1 C1=CCOCC1 MC427315 [1,0,0,1,0,0|2,0,0]=4 413 B6R1.1 C1=CCSCC1 MC427366 [1,0,0,1,0,0|2,0,0]=4 414 B6R1.1 C1=COCCC1 MC20500 [1,0,0,1,0,0|0,0,1]=3 415 B6R1.1 C1CCCCC1 MC41853 [1,0,0,1,0,0|1,0,1]=4 416 B6R1.1 C1CCNNC1 CS17893 [1,0,0,1,0,0|2,0,0]=4 417 B6R1.1 C1CC[NH2+]CC1 CS16333 [1,0,0,1,0,0|1,0,1]=4 418 B6R1.1 C1COCCN1 MC20726 [1,0,0,1,0,0|1,0,1]=4 419 B6R1.4 CC1COC1=O MC121237 [1,0,0,1,0,0|0,0,0]=2 420 B6R1.6 BrCC1CCO1 MC444177 [1,0,0,1,0,0|1,0,1]=4 421 B6R1.6 NCC1CCO1 MC121118 [1,0,0,1,0,0|1,0,1]=4 422 B6R1.6 OCC1CCO1 CS15009 [1,0,0,1,0,0|1,0,1]=4 423 B8R1.1 NCC1CNC(=O)C1 MC101927 [0,1,0,1,0,0|1,0,0]=3 424 B8R1.1 NCC1CNC(=O)C1 MC105678 [0,1,0,1,0,0|1,0,0]=3 425 B8R1.1 NCC1CNC(=O)C1 MC121239 [0,1,0,1,0,0|1,0,0]=3 426 B8R1.1 NCC1CNC(=O)O1 MC103408 [0,1,0,1,0,0|1,0,0]=3 427 B8R1.1 NCC1COC(=O)N1 MC104254 [0,1,0,1,0,0|1,0,0]=3 428 B8R1.1 O=C1C=CC(CO)O1 MC20390 [0,1,0,1,0,0|1,0,1]=4 429 B8R1.1 O=C1CC(CF)CO1 MC10217 [0,1,0,1,0,0|0,0,0]=2 430 B8R1.1 O=C1CCC(CO)N1 CS13834 [0,1,0,1,0,0|2,0,0]=4 431 B8R1.1 O=C1CCC(CO)N1 CS15562 [0,1,0,1,0,0|2,0,0]=4 432 B8R1.1 O=C1NC(CO)CO1 MC427148 [0,1,0,1,0,0|1,0,0]=3 433 B8R1.4 CC1=CC(O)CCC1 MC111652 [0,1,0,1,0,0|2,0,0]=4 434 B8R1.4 CC1CC(=O)CCN1 MC101989 [0,1,0,1,0,0|1,0,0]=3 435 B8R1.4 CC1CC(=O)CCN1 MC103769 [0,1,0,1,0,0|1,0,0]=3 436 B8R1.4 CC1CC(=O)CCN1 MC444193 [0,1,0,1,0,0|1,0,0]=3 437 B8R1.4 CC1CC(=O)CCO1 MC103799 [0,1,0,1,0,0|1,0,0]=3 438 B8R1.4 CC1CC(=O)CCO1 MC103800 [0,1,0,1,0,0|1,0,0]=3 439 B8R1.4 CC1CC(=O)CCO1 MC31001 [0,1,0,1,0,0|1,0,0]=3 440 B8R1.4 CC1CC(O)CCO1 MC31218 [0,1,0,1,0,0|1,0,1]=4 441 B8R1.4 CC1CNCC(=O)N1 MC103795 [0,1,0,1,0,0|2,0,0]=4 442 B8R1.4 CC1CNCC(=O)N1 MC104244 [0,1,0,1,0,0|2,0,0]=4 443 B8R1.4 CC1CNCC(=O)N1 MC444027 [0,1,0,1,0,0|2,0,0]=4 444 B8R1.4 CC1COCC(C)N1 MC103641 [0,1,0,1,0,0|1,0,1]=4 445 B8R1.4 CC1COCC(C)N1 MC104538 [0,1,0,1,0,0|1,0,1]=4 446 B8R1.4 CC1COCC(C)N1 MC105667 [0,1,0,1,0,0|1,0,1]=4 447 B8R1.4 CC1COCC(C)N1 MC105668 [0,1,0,1,0,0|1,0,1]=4 448 B8R1.4 CC1COCC(C)N1 MC113396 [0,1,0,1,0,0|1,0,1]=4 449 B8R1.4 CN1CCC=C(Br)C1 MC100076 [0,1,0,1,0,0|2,0,0]=4 450 B8R1.4 CN1CCNC(=O)C1 CS13438 [0,1,0,1,0,0|1,0,0]=3 451 B8R1.4 CN1CCOC(=O)C1 CS17566 [0,1,0,1,0,0|0,0,0]=2 452 B8R1.4 NC1CCNC(=O)C1 CS15459 [0,1,0,1,0,0|1,0,0]=3 453 B8R1.4 NC1CCNC(=O)C1 MC444313 [0,1,0,1,0,0|1,0,0]=3 454 B8R1.4 O=C1CCCC(=O)C1 CS19094 [0,1,0,1,0,0|1,0,1]=4 455 B8R1.4 O=C1CCCC(=O)O1 CS11243 [0,1,0,1,0,0|0,0,1]=3 456 B8R1.4 O=C1CCNC(=O)C1 CS18339 [0,1,0,1,0,0|1,0,1]=4 457 B8R1.18 CC1=CC(=O)OC1O CS22773 [0,1,0,1,0,0|0,0,2]=4 458 B8R1.18 CC1CC(=O)OC1=O MC440511 [0,1,0,1,0,0|0,0,1]=3 459 B8R1.18 CC1NC(=O)OC1=O CS17248 [0,1,0,1,0,0|1,0,1]=4 460 B8R1.18 CC1NC(=O)OC1=O MC428306 [0,1,0,1,0,0|1,0,1]=4 461 B8R1.18 CN1CC(N)CC1=O MC104828 [0,1,0,1,0,0|2,0,0]=4 462 B8R1.18 CN1CC(O)CC1=O MC111393 [0,1,0,1,0,0|2,0,0]=4 463 B8R1.31 NC1CCC1C(=O)O MC104253 [0,1,0,1,0,0|2,0,0]=4 464 B8R1.31 NC1CCC1C(=O)O MC104335 [0,1,0,1,0,0|2,0,0]=4 465 B8R1.31 NC1CCC1C(=O)O MC104421 [0,1,0,1,0,0|2,0,0]=4 466 B8R1.31 NC1CCC1C(=O)O MC105420 [0,1,0,1,0,0|2,0,0]=4 467 B8R1.34 CC(=O)C=C1COC1 MC425334 [0,1,0,1,0,0|1,0,1]=4 468 B8R1.34 CC(=O)SC1CNC1 MC103969 [0,1,0,1,0,0|0,1,0]=3 469 B8R1.34 CC(C)OC1CNC1 MC10552 [0,1,0,1,0,0|1,0,1]=4 470 B8R1.34 CC(C)OC1CNC1 MC10553 [0,1,0,1,0,0|1,0,1]=4 471 B8R1.34 O=C(O)CC1CCC1 CS11177 [0,1,0,1,0,0|2,0,0]=4 472 B8R1.34 O=C(O)CC1CNC1 MC103917 [0,1,0,1,0,0|2,0,0]=4 473 B8R1.34 O=C(O)CC1CNC1 MC444240 [0,1,0,1,0,0|2,0,0]=4 474 B8R1.34 O=C(O)CC1COC1 MC444158 [0,1,0,1,0,0|2,0,0]=4 475 B8R1.51 CC1(C)CNC(=O)C1 CS22480 [0,1,0,1,0,0|1,0,0]=3 476 B8R1.51 CC1(C)CNC(=O)N1 MC443125 [0,1,0,1,0,0|2,0,0]=4 477 B8R1.83 COC(=O)C1CC1Br MC430638 [0,1,0,1,0,0|2,0,0]=4 478 B8R1.2 BrCC1=CCCCC1 MC103521 [0,1,0,1,0,0|2,0,0]=4 479 B8R1.2 NOC1CCCCO1 CS17026 [0,1,0,1,0,0|0,0,2]=4 480 B8R1.2 O=CC1=CCCOC1 CS10171 [0,1,0,1,0,0|2,0,0]=4 481 B8R1.2 O=CC1CCCCC1 MC20143 [0,1,0,1,0,0|1,0,1]=4 482 B8R1.3 C=C1CCC(=O)CC1 MC106742 [0,1,0,1,0,0|1,0,1]=4 483 B8R1.3 C=C1CCC(C)CC1 MC105701 [0,1,0,1,0,0|2,0,0]=4 484 B8R1.3 CC1COC(C)CN1 MC107001 [0,1,0,1,0,0|1,0,1]=4 485 B8R1.3 CC1COC(C)CN1 MC107002 [0,1,0,1,0,0|1,0,1]=4 486 B8R1.3 CN1CCC(=O)CC1 CS18410 [0,1,0,1,0,0|2,0,0]=4 487 B8R1.3 NC1CCC(=O)CC1 CS22583 [0,1,0,1,0,0|1,0,0]=3 488 B8R1.3 NC1CCC(=O)NC1 MC113024 [0,1,0,1,0,0|1,0,0]=3 489 B8R1.3 NC1CCC(=O)NC1 MC444382 [0,1,0,1,0,0|1,0,0]=3 490 B8R1.3 O=C1CCC(=O)CC1 CS19236 [0,1,0,1,0,0|1,0,1]=4 491 B8R1.3 O=C1CCC(=O)NC1 CS21155 [0,1,0,1,0,0|1,0,1]=4 492 B8R1.3 O=C1CCC(O)CC1 CS22889 [0,1,0,1,0,0|1,0,0]=3 493 B8R1.5 CC1=NCCCN1C MC20695 [0,1,0,1,0,0|2,0,0]=4 494 B8R1.5 CC1CCNCC1=O MC105562 [0,1,0,1,0,0|2,0,0]=4 495 B8R1.5 CC1CNCCC1=O MC106748 [0,1,0,1,0,0|2,0,0]=4 496 B8R1.5 CC1COCCC1=O MC425868 [0,1,0,1,0,0|2,0,0]=4 497 B8R1.5 CN1CCNCC1=O CS17040 [0,1,0,1,0,0|2,0,0]=4 498 B8R1.5 CN1CCNCC1=O CS18390 [0,1,0,1,0,0|2,0,0]=4 499 B8R1.5 NC1CCCNC1=O MC106744 [0,1,0,1,0,0|1,0,0]=3 500 B8R1.5 O=C1CCCC=C1I MC106097 [0,1,0,1,0,0|1,0,1]=4 501 B8R1.5 O=C1CCCCC1=O CS20486 [0,1,0,1,0,0|1,0,0]=3 502 B8R1.5 O=C1CCNCC1Br MC106749 [0,1,0,1,0,0|2,0,0]=4 503 B8R1.5 O=C1NCCCC1Br CS14644 [0,1,0,1,0,0|1,0,0]=3 504 B8R1.5 O=C1NCCCC1O CS19689 [0,1,0,1,0,0|1,0,0]=3 505 B8R1.5 O=C1OCCCC1O CS16147 [0,1,0,1,0,0|0,0,0]=2 506 B8R1.22 O=C1CCCNCC1 CS19096 [0,1,0,1,0,0|1,0,0]=3 507 B8R1.22 O=C1CCNCCN1 CS18857 [0,1,0,1,0,0|1,0,0]=3 508 B8R1.22 O=C1CCSCCN1 MC121122 [0,1,0,1,0,0|1,0,0]=3 509 B8R1.22 O=S1CCCNCC1 MC100495 [0,1,0,1,0,0|2,0,0]=4 510 B8R1.38 COC(=O)C1CNC1 CS13402 [0,1,0,1,0,0|2,0,0]=4 511 B8R1.38 COC(=O)C1COC1 MC100370 [0,1,0,1,0,0|2,0,0]=4 512 B8R1.50 O=C1OCC(O)C1Br MC113108 [0,1,0,1,0,0|1,0,0]=3 513 B8R1.7 CC(=O)C1CCCC1 CS20673 [0,1,0,1,0,0|1,0,0]=3 514 B8R1.7 CC(=O)C1CCCC1 MC445790 [0,1,0,1,0,0|1,0,0]=3 515 B8R1.7 NC(=O)C1CCCN1 CS22629 [0,1,0,1,0,0|2,0,0]=4 516 B8R1.7 NC(=O)C1CCCN1 MC438122 [0,1,0,1,0,0|2,0,0]=4 517 B8R1.7 NC(=O)C1CCCN1 MC438123 [0,1,0,1,0,0|2,0,0]=4 518 B8R1.7 NC(=O)C1CCCN1 MC438124 [0,1,0,1,0,0|2,0,0]=4 519 B8R1.7 NC(=O)C1CCCN1 MC438125 [0,1,0,1,0,0|2,0,0]=4 520 B8R1.7 O=C(O)C1CCCN1 CS18287 [0,1,0,1,0,0|2,0,0]=4 521 B8R1.7 O=C(O)C1CCCN1 CS18742 [0,1,0,1,0,0|2,0,0]=4 522 B8R1.7 O=C(O)C1CCCN1 CS22249 [0,1,0,1,0,0|2,0,0]=4 523 B8R1.7 O=C(O)C1CCCO1 CS16192 [0,1,0,1,0,0|1,0,0]=3 524 B8R1.7 O=C(O)C1CCCO1 CS18232 [0,1,0,1,0,0|1,0,0]=3 525 B8R1.7 O=C(O)C1CCCO1 MC20393 [0,1,0,1,0,0|1,0,0]=3 526 B8R1.7 O=C(O)C1CCNC1 CS18444 [0,1,0,1,0,0|2,0,0]=4 527 B8R1.7 O=C(O)C1CCNC1 CS19637 [0,1,0,1,0,0|2,0,0]=4 528 B8R1.7 O=C(O)C1CCOC1 CS19475 [0,1,0,1,0,0|2,0,0]=4 529 B8R1.7 O=C(O)C1CCOC1 MC444586 [0,1,0,1,0,0|2,0,0]=4 530 B8R1.35 O=C(O)CCC1CC1 CS19562 [0,1,0,1,0,0|2,0,0]=4 531 B8R1.72 CC1(C)CNCCO1 MC100077 [0,1,0,1,0,0|1,0,1]=4 532 B8R1.72 O=S1(=O)CCCCN1 MC428209 [0,1,0,1,0,0|2,0,0]=4 533 B8R1.23 CC1CC(C(=O)O)C1 CS15188 [0,1,0,1,0,0|2,0,0]=4 534 B8R1.23 CC1CC(C(=O)O)C1 MC101958 [0,1,0,1,0,0|2,0,0]=4 535 B8R1.23 CC1CC(C(=O)O)C1 MC101959 [0,1,0,1,0,0|2,0,0]=4 536 B8R1.23 NC1CC(C(=O)O)C1 CS15871 [0,1,0,1,0,0|2,0,0]=4 537 B8R1.23 NC1CC(C(=O)O)C1 CS18457 [0,1,0,1,0,0|2,0,0]=4 538 B8R1.23 NC1CC(C(=O)O)C1 MC100079 [0,1,0,1,0,0|2,0,0]=4 539 B8R1.23 NC1CC(C(=O)O)C1 MC10550 [0,1,0,1,0,0|2,0,0]=4 540 B8R1.23 NC1CC(C(=O)O)C1 MC444597 [0,1,0,1,0,0|2,0,0]=4 541 B8R1.23 O=C(O)C1CC(Cl)C1 MC444263 [0,1,0,1,0,0|2,0,0]=4 542 B8R1.23 O=C(O)C1CC(F)C1 MC121085 [0,1,0,1,0,0|2,0,0]=4 543 B8R1.23 O=C(O)C1CC(O)C1 CS13147 [0,1,0,1,0,0|2,0,0]=4 544 B8R1.23 O=C(O)C1CC(O)C1 MC102155 [0,1,0,1,0,0|2,0,0]=4 545 B8R1.23 O=C(O)C1CC(O)C1 MC104924 [0,1,0,1,0,0|2,0,0]=4 546 B8R1.54 O=C(O)C(=O)C1CC1 CS15905 [0,1,0,1,0,0|2,0,0]=4 547 B8R1.54 O=C([O-])C(=O)C1CC1 MC121058 [0,1,0,1,0,0|2,0,0]=4 548 B8R1.78 CC(=O)C1(C)COC1 MC444075 [0,1,0,1,0,0|2,0,0]=4 549 B8R1.78 CC1(C(=O)O)CCC1 MC21173 [0,1,0,1,0,0|2,0,0]=4 550 B8R1.78 NC(=O)C1(N)CCC1 MC106178 [0,1,0,1,0,0|2,0,0]=4 551 B8R1.78 NC1(C(=O)O)CCC1 CS20591 [0,1,0,1,0,0|2,0,0]=4 552 B8R1.77 CC1(C)CC1C(=O)O CS19841 [0,1,0,1,0,0|2,0,0]=4 553 B8R1.77 CC1(C)CC1C(N)=O MC427500 [0,1,0,1,0,0|2,0,0]=4 554 B8R2.66 O=C(O)C12CC1C2 MC104145 [0,0,0,2,0,0|2,0,0]=4