0 B6R0.4 C#CCCC(=O)Cl MC106035 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.4 C#CCCC(=O)O MC428029 [0,0,0,0,0,0|1,0,1]=2 2 B6R0.4 C#CCCC(N)=O MC106194 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.4 C=CCCC(=O)O CS15216 [0,0,0,0,0,0|1,0,1]=2 4 B6R0.4 C=C\C=C\C(=O)O CS12033 [0,0,0,0,0,0|1,0,3]=4 5 B6R0.4 CC(=O)CCCBr CS10305 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.4 CC(=O)CCCCl CS10334 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.4 CC(=O)NCCCl MC33011 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.4 CC(C)CCCO MC428025 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.4 CC(C)NCCN MC20461 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.4 CCCCC(=O)Cl MC40508 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.4 CN(C)CCCBr CS22184 [0,0,0,0,0,0|4,0,0]=4 12 B6R0.4 CN(C)CCCCl CS13505 [0,0,0,0,0,0|4,0,0]=4 13 B6R0.4 CN(C)CCCCl CS14943 [0,0,0,0,0,0|4,0,0]=4 14 B6R0.4 N#CCCC(=O)O CS22262 [0,0,0,0,0,0|0,0,2]=2 15 B6R0.4 NCCCC(=O)O CS14998 [0,0,0,0,0,0|0,0,0]=0 16 B6R0.4 NCCCC(N)=O MC112262 [0,0,0,0,0,0|1,0,0]=1 17 B6R0.4 O=C(Cl)CCCCl MC40450 [0,0,0,0,0,0|2,0,0]=2 18 B6R0.4 O=C(O)CCCBr CS14053 [0,0,0,0,0,0|1,0,0]=1 19 B5R0.1 C=C(C)CCBr CS14513 [1,0,0,0,0,0|3,0,0]=4 20 B5R0.1 CC#CC(=O)O MC20776 [1,0,0,0,0,0|0,0,2]=3 21 B5R0.1 CC(O)CON CS17735 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.1 CCCB(O)O CS14802 [1,0,0,0,0,0|1,0,1]=3 23 B5R0.1 CCCC(C)=O CS21731 [1,0,0,0,0,0|1,0,0]=2 24 B5R0.1 CCC[N+](=O)[O-] MC428297 [1,0,0,0,0,0|1,0,1]=3 25 B5R0.1 CCOC(=N)N CS11818 [1,0,0,0,0,0|3,0,0]=4 26 B5R0.1 CN(C)CCN CS18603 [1,0,0,0,0,0|3,0,0]=4 27 B5R0.1 CNCC(=O)O CS18595 [1,0,0,0,0,0|1,0,0]=2 28 B5R0.1 CNCC(N)=O MC438151 [1,0,0,0,0,0|2,0,0]=3 29 B5R0.1 COCC(=O)Cl MC40491 [1,0,0,0,0,0|2,0,0]=3 30 B5R0.1 COCC(=O)O CS11579 [1,0,0,0,0,0|1,0,0]=2 31 B5R0.1 COCC(C)O CS20249 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.1 COCC(C)O CS20309 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.1 COCC(C)O CS20741 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.1 COCC(N)=O MC41924 [1,0,0,0,0,0|2,0,0]=3 35 B5R0.1 COCC(N)=S MC102255 [1,0,0,0,0,0|2,1,0]=4 36 B5R0.1 CSCC(=O)Cl MC106201 [1,0,0,0,0,0|2,0,0]=3 37 B5R0.1 CSCC(N)=O CS12608 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.1 C\C=C\C(=O)O MC41882 [1,0,0,0,0,0|0,0,2]=3 39 B5R0.1 N#CCC(=O)O MC41881 [1,0,0,0,0,0|0,0,2]=3 40 B5R0.1 N#CCC(N)=O CS18594 [1,0,0,0,0,0|1,0,2]=4 41 B5R0.1 NCCC(=O)O CS13499 [1,0,0,0,0,0|0,0,0]=1 42 B5R0.1 NCCC(N)=O MC436150 [1,0,0,0,0,0|1,0,0]=2 43 B5R0.1 O=C(O)CCO MC20638 [1,0,0,0,0,0|1,0,0]=2 44 B5R0.2 BrCCCCBr MC41885 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.2 C=CCCON MC110761 [1,0,0,0,0,0|2,0,0]=3 46 B5R0.2 C=CCC[Zn]Br MC121337 [1,0,0,0,0,0|3,0,0]=4 47 B5R0.2 CCCCCBr CS20657 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.2 CCCC[Zn]Br MC121334 [1,0,0,0,0,0|3,0,0]=4 49 B5R0.2 CNCCCO CS14200 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.2 COCCCBr CS20649 [1,0,0,0,0,0|3,0,0]=4 51 B5R0.2 COCCCO CS20039 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.2 COCCNN MC103229 [1,0,0,0,0,0|3,0,0]=4 53 B5R0.2 COCCNN MC107041 [1,0,0,0,0,0|3,0,0]=4 54 B5R0.2 N#CCCCBr MC433750 [1,0,0,0,0,0|2,0,1]=4 55 B5R0.2 NCCCCBr CS14979 [1,0,0,0,0,0|1,0,1]=3 56 B5R0.2 NCCCCN CS19906 [1,0,0,0,0,0|1,0,1]=3 57 B7R0.2 CCC(=O)CC(C)=O CS21124 [0,1,0,0,0,0|2,0,1]=4 58 B7R0.2 COC(=O)CC(=O)O CS13436 [0,1,0,0,0,0|2,0,1]=4 59 B7R0.2 NCC(O)CC(=O)O CS16710 [0,1,0,0,0,0|0,0,0]=1 60 B7R0.3 C#CCCC(=O)OC MC424002 [0,1,0,0,0,0|1,0,1]=3 61 B7R0.3 CCC(O)CCCO MC116029 [0,1,0,0,0,0|2,0,1]=4 62 B7R0.3 COC(=O)CCC=O MC21172 [0,1,0,0,0,0|1,0,1]=3 63 B7R0.3 COC(=O)CCCBr MC427387 [0,1,0,0,0,0|1,0,0]=2 64 B7R0.3 COC(=O)CCCN MC439309 [0,1,0,0,0,0|0,0,0]=1 65 B7R0.3 COC(=O)CN=[N+]=[N-] MC428311 [0,1,0,0,0,0|2,0,1]=4 66 B7R0.3 COC(=O)\C=C\CBr CS13509 [0,1,0,0,0,0|1,0,2]=4 67 B7R0.3 COCCC(=O)NN MC111753 [0,1,0,0,0,0|3,0,0]=4 68 B7R0.4 C#CCCCC(=O)O CS14686 [0,1,0,0,0,0|1,0,0]=2 69 B7R0.4 C=CCNCC(=O)O MC439317 [0,1,0,0,0,0|1,0,1]=3 70 B7R0.4 CC(=O)CCCCBr CS10627 [0,1,0,0,0,0|2,0,0]=3 71 B7R0.4 CC(O)CCCCO MC112436 [0,1,0,0,0,0|2,0,1]=4 72 B7R0.4 CCCCCB(O)O CS22305 [0,1,0,0,0,0|2,0,1]=4 73 B7R0.4 CCCCCC(C)O CS21570 [0,1,0,0,0,0|2,0,1]=4 74 B7R0.4 CCCOCC(=O)O MC425744 [0,1,0,0,0,0|1,0,0]=2 75 B7R0.4 CCC\C=C\C(C)=O MC20875 [0,1,0,0,0,0|2,0,1]=4 76 B7R0.4 CCO\C=C\C(=O)O CS22271 [0,1,0,0,0,0|1,0,2]=4 77 B7R0.4 NCCCCC(=O)O MC428108 [0,1,0,0,0,0|0,0,0]=1 78 B7R0.4 NCCNCC(=O)O MC436179 [0,1,0,0,0,0|0,0,0]=1 79 B7R0.4 O=C(O)CCCCBr MC41866 [0,1,0,0,0,0|1,0,0]=2 80 B7R0.5 C#CCC(N)C(=O)O CS13900 [0,1,0,0,0,0|1,0,1]=3 81 B7R0.5 C#CCC(N)C(=O)O MC21037 [0,1,0,0,0,0|1,0,1]=3 82 B7R0.5 C#CCC(N)C(=O)O MC438112 [0,1,0,0,0,0|1,0,1]=3 83 B7R0.5 C=CCC(N)C(=O)O MC439179 [0,1,0,0,0,0|1,0,1]=3 84 B7R0.5 CCCC(N)C(=O)O CS10518 [0,1,0,0,0,0|1,0,0]=2 85 B7R0.5 CCCC(N)C(=O)O CS17028 [0,1,0,0,0,0|1,0,0]=2 86 B7R0.5 CCCC(N)C(=O)O MC439125 [0,1,0,0,0,0|1,0,0]=2 87 B7R0.5 CCCC(N)C(N)=O MC438024 [0,1,0,0,0,0|2,0,0]=3 88 B7R0.5 COCC(N)C(=O)O CS12183 [0,1,0,0,0,0|2,0,0]=3 89 B7R0.5 COCC(N)C(=O)O CS16755 [0,1,0,0,0,0|2,0,0]=3 90 B7R0.5 COCC(N)C(=O)O CS20335 [0,1,0,0,0,0|2,0,0]=3 91 B7R0.5 CSCC(N)C(=O)O MC439293 [0,1,0,0,0,0|2,0,0]=3 92 B7R0.5 C[Se]CC(N)C(=O)O MC435442 [0,1,0,0,0,0|2,0,0]=3 93 B7R0.5 C[Se]CC(N)C(=O)O MC435443 [0,1,0,0,0,0|2,0,0]=3 94 B7R0.5 N#CCC(N)C(=O)O MC436869 [0,1,0,0,0,0|0,0,2]=3 95 B7R0.5 NC(CCO)C(=O)O CS13886 [0,1,0,0,0,0|1,0,0]=2 96 B7R0.5 NC(CCO)C(=O)O CS16701 [0,1,0,0,0,0|1,0,0]=2 97 B7R0.5 NC(CCO)C(=O)O CS22620 [0,1,0,0,0,0|1,0,0]=2 98 B7R0.5 NCCC(N)C(=O)O CS13874 [0,1,0,0,0,0|0,0,0]=1 99 B7R0.5 NCCC(N)C(=O)O CS15080 [0,1,0,0,0,0|0,0,0]=1 100 B7R0.5 NCCC(N)C(=O)O MC436921 [0,1,0,0,0,0|0,0,0]=1 101 B7R0.5 NCCC(N)C(=O)O MC439091 [0,1,0,0,0,0|0,0,0]=1 102 B7R0.5 NCCC(N)C(=O)O MC439321 [0,1,0,0,0,0|0,0,0]=1 103 B7R0.5 NCCC(O)C(=O)O CS15496 [0,1,0,0,0,0|0,0,0]=1 104 B7R0.5 NCCC(O)C(=O)O CS21759 [0,1,0,0,0,0|0,0,0]=1 105 B7R0.6 C=C(C)CCC(=O)O CS16527 [0,1,0,0,0,0|1,0,1]=3 106 B7R0.6 CC(=O)CCC(=O)O CS18688 [0,1,0,0,0,0|1,0,1]=3 107 B7R0.6 CC(=O)NCC(=O)O CS19131 [0,1,0,0,0,0|2,0,1]=4 108 B7R0.6 CC(C)CCC(=O)Cl MC20895 [0,1,0,0,0,0|2,0,0]=3 109 B7R0.6 CC(C)CCC(C)N MC446673 [0,1,0,0,0,0|2,0,1]=4 110 B7R0.6 CC(N)CCC(=O)O MC435302 [0,1,0,0,0,0|0,0,0]=1 111 B7R0.6 CN(C)CCC(=O)O CS12169 [0,1,0,0,0,0|2,0,0]=3 112 B7R0.6 O=C(O)CC[N+](=O)[O-] MC442448 [0,1,0,0,0,0|2,0,0]=3 113 B7R0.6 O=C([O-])CCC(=O)[O-] MC34018 [0,1,0,0,0,0|1,0,2]=4 114 B7R0.8 CCCCS(=O)(=O)Cl MC32076 [0,1,0,0,0,0|2,0,1]=4 115 B7R0.8 CCCCS(=O)(=O)F MC32077 [0,1,0,0,0,0|2,0,1]=4 116 B7R0.8 CCCCS(=O)(=O)O MC32078 [0,1,0,0,0,0|2,0,0]=3 117 B7R0.8 CCCCS(=O)(=O)[O-] MC32079 [0,1,0,0,0,0|2,0,1]=4 118 B7R0.8 CCCCS(N)(=O)=O MC32080 [0,1,0,0,0,0|2,0,1]=4 119 B7R0.8 NCCCP(=O)(O)O CS22520 [0,1,0,0,0,0|1,0,0]=2 120 B7R0.8 NCCCS(=O)(=O)O MC20858 [0,1,0,0,0,0|1,0,0]=2 121 B7R0.8 O=S(=O)(Cl)CCCCl MC40372 [0,1,0,0,0,0|2,0,1]=4 122 B7R1.2 CC1=CC(=O)CC1 CS22356 [0,0,0,1,0,0|2,0,1]=4 123 B7R1.2 CC1COC(=O)N1 CS14300 [0,0,0,1,0,0|3,0,0]=4 124 B7R1.2 CC1COC(=O)O1 MC428298 [0,0,0,1,0,0|2,0,0]=3 125 B7R1.2 CN1CCC(=O)C1 CS20760 [0,0,0,1,0,0|3,0,0]=4 126 B7R1.2 CN1CCC(N)C1 MC444033 [0,0,0,1,0,0|3,0,0]=4 127 B7R1.2 CN1CCC(N)C1 MC444055 [0,0,0,1,0,0|3,0,0]=4 128 B7R1.2 CN1CCC(N)C1 MC444130 [0,0,0,1,0,0|3,0,0]=4 129 B7R1.2 NC1=NCC(=O)N1 MC102809 [0,0,0,1,0,0|2,0,1]=4 130 B7R1.2 NC1CCC(O)C1 CS12946 [0,0,0,1,0,0|1,0,1]=3 131 B7R1.2 NC1CCC(O)C1 CS14798 [0,0,0,1,0,0|1,0,1]=3 132 B7R1.2 NC1CCC(O)C1 CS15869 [0,0,0,1,0,0|1,0,1]=3 133 B7R1.2 NC1CCC(O)C1 CS16172 [0,0,0,1,0,0|1,0,1]=3 134 B7R1.2 NC1CNC(=O)C1 MC103473 [0,0,0,1,0,0|2,0,0]=3 135 B7R1.2 NC1COC(=O)C1 CS14340 [0,0,0,1,0,0|2,0,0]=3 136 B7R1.2 NC1COC(=O)C1 CS14674 [0,0,0,1,0,0|2,0,0]=3 137 B7R1.2 O=C1CC(O)CN1 CS14706 [0,0,0,1,0,0|3,0,0]=4 138 B7R1.2 O=C1CC(O)CN1 CS16472 [0,0,0,1,0,0|3,0,0]=4 139 B7R1.2 O=C1CCC(=O)N1 MC41707 [0,0,0,1,0,0|2,0,1]=4 140 B7R1.2 O=C1CCC(I)C1 MC115016 [0,0,0,1,0,0|2,0,0]=3 141 B7R1.3 CC1CCCNC1 CS16133 [0,0,0,1,0,0|2,0,1]=4 142 B7R1.3 CC1CCCNC1 MC425227 [0,0,0,1,0,0|2,0,1]=4 143 B7R1.3 FC1CCCNC1 MC101908 [0,0,0,1,0,0|2,0,1]=4 144 B7R1.3 FC1CCCNC1 MC101918 [0,0,0,1,0,0|2,0,1]=4 145 B7R1.3 FC1CCCNC1 MC444270 [0,0,0,1,0,0|2,0,1]=4 146 B7R1.3 NC1CCCNC1 CS17178 [0,0,0,1,0,0|2,0,1]=4 147 B7R1.3 NC1CCCNC1 CS17182 [0,0,0,1,0,0|2,0,1]=4 148 B7R1.3 NC1CCCNC1 CS22655 [0,0,0,1,0,0|2,0,1]=4 149 B7R1.3 O=C1C=CCCC1 MC41883 [0,0,0,1,0,0|2,0,0]=3 150 B7R1.3 O=C1C=CCCN1 CS15771 [0,0,0,1,0,0|3,0,0]=4 151 B7R1.3 O=C1C=CCOC1 CS17023 [0,0,0,1,0,0|3,0,0]=4 152 B7R1.3 O=C1CCCCN1 MC429045 [0,0,0,1,0,0|2,0,0]=3 153 B7R1.3 O=C1CCCCO1 CS11208 [0,0,0,1,0,0|1,0,0]=2 154 B7R1.3 O=C1CCCNC1 CS14768 [0,0,0,1,0,0|1,0,0]=2 155 B7R1.3 O=C1CCCNC1 CS17767 [0,0,0,1,0,0|1,0,0]=2 156 B7R1.3 O=C1CCCOC1 MC31097 [0,0,0,1,0,0|2,0,0]=3 157 B7R1.3 O=C1CCNCC1 CS22790 [0,0,0,1,0,0|3,0,0]=4 158 B7R1.3 O=C1CCOCC1 CS13380 [0,0,0,1,0,0|3,0,0]=4 159 B7R1.3 O=C1CCSCC1 CS18797 [0,0,0,1,0,0|3,0,0]=4 160 B7R1.3 O=C1CNCCN1 CS19142 [0,0,0,1,0,0|2,0,0]=3 161 B7R1.3 O=C1CNCCO1 MC441004 [0,0,0,1,0,0|2,0,0]=3 162 B7R1.3 O=C1COCCN1 CS11697 [0,0,0,1,0,0|3,0,0]=4 163 B7R1.3 O=C1COCCO1 MC20725 [0,0,0,1,0,0|2,0,0]=3 164 B7R1.3 OC1CCCNC1 CS17016 [0,0,0,1,0,0|1,0,1]=3 165 B7R1.3 OC1CCCNC1 CS17020 [0,0,0,1,0,0|1,0,1]=3 166 B7R1.3 OC1CCCNC1 CS22642 [0,0,0,1,0,0|1,0,1]=3 167 B7R1.3 OC1CCCOC1 CS17782 [0,0,0,1,0,0|2,0,1]=4 168 B7R1.3 SC1CCCNC1 MC105166 [0,0,0,1,0,0|1,1,1]=4 169 B7R1.10 NCC1CC(=O)C1 MC444212 [0,0,0,1,0,0|1,0,0]=2 170 B7R1.10 NCC1CC(=O)N1 MC111758 [0,0,0,1,0,0|1,0,0]=2 171 B7R1.10 NCC1CC(F)C1 MC103708 [0,0,0,1,0,0|2,0,1]=4 172 B7R1.10 NCC1CC(F)C1 MC104711 [0,0,0,1,0,0|2,0,1]=4 173 B7R1.10 NCC1CC(F)C1 MC444589 [0,0,0,1,0,0|2,0,1]=4 174 B7R1.10 NCC1CC(O)C1 MC101920 [0,0,0,1,0,0|1,0,1]=3 175 B7R1.10 NCC1CC(O)C1 MC101929 [0,0,0,1,0,0|1,0,1]=3 176 B7R1.10 NCC1CC(O)C1 MC103940 [0,0,0,1,0,0|1,0,1]=3 177 B7R1.10 NCC1CC(O)C1 MC113027 [0,0,0,1,0,0|1,0,1]=3 178 B7R1.10 NCC1CC(O)C1 MC115656 [0,0,0,1,0,0|1,0,1]=3 179 B7R1.10 O=C1CC(CI)N1 MC111759 [0,0,0,1,0,0|2,0,0]=3 180 B7R1.10 O=C1CC(CO)C1 MC113039 [0,0,0,1,0,0|2,0,0]=3 181 B7R1.12 CC1CC1C(=O)O MC100841 [0,0,0,1,0,0|1,0,0]=2 182 B7R1.12 CC1CC1C(=O)O MC103281 [0,0,0,1,0,0|1,0,0]=2 183 B7R1.12 CC1CC1C(N)=O MC425328 [0,0,0,1,0,0|2,0,0]=3 184 B7R1.12 NC(=O)C1CC1F MC102846 [0,0,0,1,0,0|2,0,0]=3 185 B7R1.12 O=C(O)C1CC1Br MC430635 [0,0,0,1,0,0|1,0,0]=2 186 B7R1.12 O=C(O)C1CC1F MC21162 [0,0,0,1,0,0|1,0,0]=2 187 B7R1.12 O=C(O)C1CC1F MC425300 [0,0,0,1,0,0|1,0,0]=2 188 B7R1.12 O=C(O)C1CC1F MC425301 [0,0,0,1,0,0|1,0,0]=2 189 B7R1.12 O=C(O)C1CC1F MC425302 [0,0,0,1,0,0|1,0,0]=2 190 B7R1.12 O=C(O)C1CC1F MC425316 [0,0,0,1,0,0|1,0,0]=2 191 B7R1.12 O=C(O)C1CC1I MC102749 [0,0,0,1,0,0|1,0,0]=2 192 B7R1.12 O=C(O)C1CC1I MC425298 [0,0,0,1,0,0|1,0,0]=2 193 B7R1.14 CC1(O)CCCC1 CS20768 [0,0,0,1,0,0|2,0,1]=4 194 B7R1.18 CC(O)C1CCC1 CS20672 [0,0,0,1,0,0|2,0,1]=4 195 B7R1.18 NC(=O)C1CNC1 MC10515 [0,0,0,1,0,0|3,0,0]=4 196 B7R1.18 NC(=O)C1CNC1 MC10516 [0,0,0,1,0,0|3,0,0]=4 197 B7R1.18 O=C(O)C1CCC1 CS22786 [0,0,0,1,0,0|1,0,0]=2 198 B7R1.18 O=C(O)C1CCN1 CS16493 [0,0,0,1,0,0|0,0,0]=1 199 B7R1.18 O=C(O)C1CCN1 CS16972 [0,0,0,1,0,0|0,0,0]=1 200 B7R1.18 O=C(O)C1CCN1 CS18844 [0,0,0,1,0,0|0,0,0]=1 201 B7R1.18 O=C(O)C1CCN1 MC436280 [0,0,0,1,0,0|0,0,0]=1 202 B7R1.18 O=C(O)C1CCO1 MC115721 [0,0,0,1,0,0|1,0,0]=2 203 B7R1.18 O=C(O)C1CNC1 CS16485 [0,0,0,1,0,0|2,0,0]=3 204 B7R1.18 O=C(O)C1COC1 CS22389 [0,0,0,1,0,0|2,0,0]=3 205 B7R1.18 O=C(O)C1CSC1 MC100118 [0,0,0,1,0,0|2,0,0]=3 206 B7R1.18 OB(O)C1CCC1 CS12533 [0,0,0,1,0,0|2,0,1]=4 207 B7R1.20 N=C(N)CC1CC1 MC114877 [0,0,0,1,0,0|3,0,0]=4 208 B7R1.20 O=C(O)CC1CC1 MC433946 [0,0,0,1,0,0|1,0,0]=2 209 B7R1.23 NCC1CC1(F)F MC431599 [0,0,0,1,0,0|2,0,1]=4 210 B4R0.1 C#CC(=O)O MC428031 [2,0,0,0,0,0|0,0,2]=4 211 B4R0.1 CC(=O)CBr MC20986 [2,0,0,0,0,0|2,0,0]=4 212 B4R0.1 CC(=O)CN CS10921 [2,0,0,0,0,0|1,0,0]=3 213 B4R0.1 CC(=O)CO CS11467 [2,0,0,0,0,0|2,0,0]=4 214 B4R0.1 CC(=O)NN CS10881 [2,0,0,0,0,0|2,0,0]=4 215 B4R0.1 CC(O)CN CS14075 [2,0,0,0,0,0|1,0,1]=4 216 B4R0.1 CCB(O)O CS13979 [2,0,0,0,0,0|1,0,1]=4 217 B4R0.1 CCC(C)O MC10786 [2,0,0,0,0,0|1,0,1]=4 218 B4R0.1 CCC(N)=O CS11886 [2,0,0,0,0,0|1,0,0]=3 219 B4R0.1 CNC(N)=O MC10792 [2,0,0,0,0,0|2,0,0]=4 220 B4R0.1 COC(N)=O CS11667 [2,0,0,0,0,0|2,0,0]=4 221 B4R0.1 NC(=O)CBr CS21389 [2,0,0,0,0,0|2,0,0]=4 222 B4R0.1 NCC(=O)O CS19951 [2,0,0,0,0,0|0,0,0]=2 223 B4R0.1 NCC(=O)[O-] CS10910 [2,0,0,0,0,0|0,0,1]=3 224 B4R0.1 NCC(=O)[O-] MC20522 [2,0,0,0,0,0|0,0,1]=3 225 B4R0.1 NCC(N)=O CS13806 [2,0,0,0,0,0|1,0,0]=3 226 B4R0.1 NCC(N)=O MC437712 [2,0,0,0,0,0|1,0,0]=3 227 B4R0.1 NCS(=O)[O-] MC105927 [2,0,0,0,0,0|1,0,1]=4 228 B4R0.1 NNC(N)=O CS11949 [2,0,0,0,0,0|2,0,0]=4 229 B4R0.1 O=C(Cl)CBr MC21000 [2,0,0,0,0,0|2,0,0]=4 230 B4R0.1 O=C(O)CCl MC41871 [2,0,0,0,0,0|1,0,0]=3 231 B4R0.1 O=C(O)CO CS19334 [2,0,0,0,0,0|1,0,0]=3 232 B4R0.1 O=C([O-])CCl MC41872 [2,0,0,0,0,0|1,0,1]=4 233 B4R0.2 C#CCCN MC424006 [2,0,0,0,0,0|0,0,2]=4 234 B4R0.2 C=CCNN MC107856 [2,0,0,0,0,0|1,0,1]=4 235 B4R0.2 C=COCC MC41915 [2,0,0,0,0,0|2,0,0]=4 236 B4R0.2 CCCC=O MC41868 [2,0,0,0,0,0|0,0,0]=2 237 B4R0.2 CCCCO MC41869 [2,0,0,0,0,0|0,0,1]=3 238 B4R0.2 CCC[Zn]Br MC121348 [2,0,0,0,0,0|2,0,0]=4 239 B4R0.2 CCOC=N MC33024 [2,0,0,0,0,0|2,0,0]=4 240 B4R0.2 CCOC=O MC41912 [2,0,0,0,0,0|1,0,0]=3 241 B4R0.2 CNCCO CS20910 [2,0,0,0,0,0|1,0,1]=4 242 B4R0.2 C\C=C\C=O MC41879 [2,0,0,0,0,0|0,0,2]=4 243 B4R0.2 ClCCCBr MC41861 [2,0,0,0,0,0|2,0,0]=4 244 B4R0.2 NCCCBr CS22190 [2,0,0,0,0,0|1,0,0]=3 245 B4R0.2 NCCCS MC428180 [2,0,0,0,0,0|0,1,0]=3 246 B4R0.2 [NH3+]CCCS MC428140 [2,0,0,0,0,0|0,1,1]=4 247 B6R0.1 C#CC(=O)OCC MC434052 [1,1,0,0,0,0|2,0,0]=4 248 B6R0.1 CCCC(=O)NN CS22544 [1,1,0,0,0,0|1,0,0]=3 249 B6R0.1 CCCC(O)CO CS20495 [1,1,0,0,0,0|0,0,2]=4 250 B6R0.1 CCNC(=O)NC MC428152 [1,1,0,0,0,0|2,0,0]=4 251 B6R0.1 CCOC(=O)CBr MC41907 [1,1,0,0,0,0|2,0,0]=4 252 B6R0.1 CCOC(=O)CCl MC41910 [1,1,0,0,0,0|2,0,0]=4 253 B6R0.1 CCOC(=O)CN CS15347 [1,1,0,0,0,0|2,0,0]=4 254 B6R0.1 CCOC(=O)CO CS11386 [1,1,0,0,0,0|1,0,0]=3 255 B6R0.1 CCOC(=O)NN CS11383 [1,1,0,0,0,0|2,0,0]=4 256 B6R0.1 CNC(=O)CCN MC112263 [1,1,0,0,0,0|1,0,0]=3 257 B6R0.1 CNCC(=O)OC MC438154 [1,1,0,0,0,0|1,0,0]=3 258 B6R0.1 COC(=O)CC#N MC428339 [1,1,0,0,0,0|0,0,2]=4 259 B6R0.1 COC(=O)CCBr CS18993 [1,1,0,0,0,0|1,0,0]=3 260 B6R0.1 COC(=O)CCN CS22266 [1,1,0,0,0,0|0,0,0]=2 261 B6R0.1 COCC(=O)NN CS11580 [1,1,0,0,0,0|2,0,0]=4 262 B6R0.1 C\C=C\C(=O)OC MC41953 [1,1,0,0,0,0|0,0,2]=4 263 B6R0.2 CC(Br)CC(=O)O MC106689 [1,1,0,0,0,0|0,0,0]=2 264 B6R0.2 CC(Br)CC(N)=S MC106193 [1,1,0,0,0,0|1,1,0]=4 265 B6R0.2 CC(C)=CC(=O)O CS14947 [1,1,0,0,0,0|0,0,2]=4 266 B6R0.2 CC(C)CB(O)O CS22276 [1,1,0,0,0,0|1,0,1]=4 267 B6R0.2 CC(N)CC(=O)O CS19028 [1,1,0,0,0,0|0,0,0]=2 268 B6R0.2 CC(N)CC(=O)O CS20346 [1,1,0,0,0,0|0,0,0]=2 269 B6R0.2 CC(N)CC(=O)O MC439098 [1,1,0,0,0,0|0,0,0]=2 270 B6R0.2 CC(O)CC(=O)O MC426020 [1,1,0,0,0,0|0,0,0]=2 271 B6R0.2 CC(O)CC(=O)O MC426021 [1,1,0,0,0,0|0,0,0]=2 272 B6R0.2 CC(O)CC(=O)[O-] CS20253 [1,1,0,0,0,0|0,0,1]=3 273 B6R0.2 CN(C)CC(=O)O CS13413 [1,1,0,0,0,0|1,0,0]=3 274 B6R0.2 NC(=O)CC(N)=O CS11565 [1,1,0,0,0,0|1,0,1]=4 275 B6R0.2 NC([SeH])CC(=O)O MC435590 [1,1,0,0,0,0|0,0,0]=2 276 B6R0.2 NC([SeH])CC(=O)O MC435591 [1,1,0,0,0,0|0,0,0]=2 277 B6R0.2 O=C(O)CC(=O)O MC41922 [1,1,0,0,0,0|1,0,1]=4 278 B6R0.2 O=C(O)CC(=O)O MC41938 [1,1,0,0,0,0|1,0,1]=4 279 B6R0.3 C=CC(N)C(=O)O MC21080 [1,1,0,0,0,0|0,0,2]=4 280 B6R0.3 CC(CN)C(=O)O MC105846 [1,1,0,0,0,0|0,0,0]=2 281 B6R0.3 CC(CN)C(=O)O MC105847 [1,1,0,0,0,0|0,0,0]=2 282 B6R0.3 CCC(=O)C(=O)O CS21626 [1,1,0,0,0,0|0,0,1]=3 283 B6R0.3 CCC(Br)C(=O)O MC426015 [1,1,0,0,0,0|0,0,0]=2 284 B6R0.3 CCC(Cl)C(=O)O MC426016 [1,1,0,0,0,0|0,0,0]=2 285 B6R0.3 CCC(N)B(O)O MC442680 [1,1,0,0,0,0|1,0,1]=4 286 B6R0.3 CCC(N)B(O)O MC442681 [1,1,0,0,0,0|1,0,1]=4 287 B6R0.3 CCC(N)C(=O)O CS13661 [1,1,0,0,0,0|0,0,0]=2 288 B6R0.3 CCC(N)C(=O)O CS14054 [1,1,0,0,0,0|0,0,0]=2 289 B6R0.3 CCC(N)C(=O)O CS14084 [1,1,0,0,0,0|0,0,0]=2 290 B6R0.3 CCC(N)C(N)=O CS15891 [1,1,0,0,0,0|1,0,0]=3 291 B6R0.3 CCC(N)C(N)=O MC436006 [1,1,0,0,0,0|1,0,0]=3 292 B6R0.3 CNC(C)C(=O)O MC428068 [1,1,0,0,0,0|1,0,0]=3 293 B6R0.3 CNC(C)C(=O)O MC428076 [1,1,0,0,0,0|1,0,0]=3 294 B6R0.3 CNC(C)C(=O)O MC428084 [1,1,0,0,0,0|1,0,0]=3 295 B6R0.3 COC(C)C(=O)O CS14024 [1,1,0,0,0,0|1,0,0]=3 296 B6R0.3 COC(C)C(=O)O MC425243 [1,1,0,0,0,0|1,0,0]=3 297 B6R0.3 NC(=O)C(N)CO MC438160 [1,1,0,0,0,0|2,0,0]=4 298 B6R0.3 NC(CCl)C(=O)O MC436849 [1,1,0,0,0,0|1,0,0]=3 299 B6R0.3 NC(CCl)C(=O)O MC436850 [1,1,0,0,0,0|1,0,0]=3 300 B6R0.3 NC(CCl)C(=O)O MC436851 [1,1,0,0,0,0|1,0,0]=3 301 B6R0.3 NC(CCl)C(=O)O MC436852 [1,1,0,0,0,0|1,0,0]=3 302 B6R0.3 NC(CF)C(=O)O MC437009 [1,1,0,0,0,0|1,0,0]=3 303 B6R0.3 NC(CO)C(=O)O CS14731 [1,1,0,0,0,0|1,0,0]=3 304 B6R0.3 NC(CO)C(=O)O CS18949 [1,1,0,0,0,0|1,0,0]=3 305 B6R0.3 NC(CO)C(=O)O CS19144 [1,1,0,0,0,0|1,0,0]=3 306 B6R0.3 NC(CS)C(=O)O CS19113 [1,1,0,0,0,0|1,0,0]=3 307 B6R0.3 NC(CS)C(=O)O CS19417 [1,1,0,0,0,0|1,0,0]=3 308 B6R0.3 NC(CS)C(=O)O CS19655 [1,1,0,0,0,0|1,0,0]=3 309 B6R0.3 NC(CS)C(=O)O MC428046 [1,1,0,0,0,0|1,0,0]=3 310 B6R0.3 NC(CS)C(=O)O MC436887 [1,1,0,0,0,0|1,0,0]=3 311 B6R0.3 NC(CS)C(=O)O MC436888 [1,1,0,0,0,0|1,0,0]=3 312 B6R0.3 NC(CS)C(=O)O MC439001 [1,1,0,0,0,0|1,0,0]=3 313 B6R0.3 NC(C[SeH])C(=O)O MC435423 [1,1,0,0,0,0|1,0,0]=3 314 B6R0.3 NCC(N)C(=O)O CS14756 [1,1,0,0,0,0|0,0,0]=2 315 B6R0.3 NCC(N)C(=O)O CS19624 [1,1,0,0,0,0|0,0,0]=2 316 B6R0.3 NCC(N)C(=O)O CS19672 [1,1,0,0,0,0|0,0,0]=2 317 B6R0.3 NCC(O)C(=O)O CS20294 [1,1,0,0,0,0|0,0,0]=2 318 B6R0.3 NCC(O)C(=O)O MC437816 [1,1,0,0,0,0|0,0,0]=2 319 B6R0.3 O=C(O)C(Br)CBr CS15215 [1,1,0,0,0,0|1,0,0]=3 320 B6R0.3 O=C(O)C(O)CCl MC10790 [1,1,0,0,0,0|1,0,0]=3 321 B6R0.5 CCCS(=O)(=O)Cl MC20992 [1,1,0,0,0,0|1,0,1]=4 322 B6R0.5 CCCS(=O)(=O)O MC32073 [1,1,0,0,0,0|1,0,0]=3 323 B6R0.5 CCCS(=O)(=O)[O-] MC32074 [1,1,0,0,0,0|1,0,1]=4 324 B6R0.5 CCCS(N)(=O)=O MC32075 [1,1,0,0,0,0|1,0,1]=4 325 B6R0.5 CNCP(=O)(O)O MC101885 [1,1,0,0,0,0|2,0,0]=4 326 B6R0.5 CS(=O)(=O)CCN CS21301 [1,1,0,0,0,0|1,0,1]=4 327 B6R0.6 C#CCCCCO MC424004 [1,1,0,0,0,0|1,0,1]=4 328 B6R0.6 C=CCCCCCl MC427568 [1,1,0,0,0,0|2,0,0]=4 329 B6R0.6 C=CCCCCN MC111853 [1,1,0,0,0,0|1,0,0]=3 330 B6R0.6 C=CCCCCO CS10397 [1,1,0,0,0,0|1,0,1]=4 331 B6R0.6 C=CCCC[Zn]Br MC121349 [1,1,0,0,0,0|2,0,0]=4 332 B6R0.6 C=COCCCN MC41859 [1,1,0,0,0,0|1,0,0]=3 333 B6R0.6 C=COCCON MC106384 [1,1,0,0,0,0|2,0,0]=4 334 B6R0.6 COCCCC=O MC111975 [1,1,0,0,0,0|1,0,0]=3 335 B6R0.6 COCCCCBr CS22933 [1,1,0,0,0,0|1,0,1]=4 336 B6R0.6 COCCCCCl MC428014 [1,1,0,0,0,0|1,0,1]=4 337 B6R0.6 NCCCCCN CS19074 [1,1,0,0,0,0|1,0,1]=4 338 B6R0.6 OCCCCCCl CS14778 [1,1,0,0,0,0|1,0,1]=4 339 B6R0.6 OCCCCCO CS20549 [1,1,0,0,0,0|1,0,1]=4 340 B6R0.6 OCCOCCO MC41893 [1,1,0,0,0,0|1,0,1]=4 341 B8R0.2 CCC(C)C(N)C(=O)O MC20633 [0,2,0,0,0,0|1,0,0]=3 342 B8R0.2 CCC(C)C(N)C(=O)O MC437790 [0,2,0,0,0,0|1,0,0]=3 343 B8R0.2 CCC(C)C(N)C(=O)O MC437791 [0,2,0,0,0,0|1,0,0]=3 344 B8R0.2 CCC(C)C(N)C(=O)O MC437792 [0,2,0,0,0,0|1,0,0]=3 345 B8R0.2 CCC(C)C(N)C(=O)O MC437793 [0,2,0,0,0,0|1,0,0]=3 346 B8R0.2 CCC(C)C(N)C(=O)O MC437794 [0,2,0,0,0,0|1,0,0]=3 347 B8R0.2 CCC(C)C(N)C(N)=O MC437802 [0,2,0,0,0,0|2,0,0]=4 348 B8R0.2 COC(C)C(N)C(=O)O MC439018 [0,2,0,0,0,0|2,0,0]=4 349 B8R0.2 O=C(O)C(O)C(O)CO MC20861 [0,2,0,0,0,0|1,0,0]=3 350 B8R0.2 O=C([O-])C(O)C(O)CO CS13317 [0,2,0,0,0,0|1,0,1]=4 351 B8R0.2 O=C([O-])C(O)C(O)CO MC428259 [0,2,0,0,0,0|1,0,1]=4 352 B8R0.19 CCC(=O)CC(=O)OC CS18389 [0,2,0,0,0,0|1,0,1]=4 353 B8R0.19 COC(=O)CC(=O)CCl MC20592 [0,2,0,0,0,0|1,0,1]=4 354 B8R0.19 COC(=O)CC(O)CCl CS18252 [0,2,0,0,0,0|1,0,0]=3 355 B8R0.23 C=C(C)CC(N)C(=O)O MC436932 [0,2,0,0,0,0|1,0,1]=4 356 B8R0.23 CC(C)C(C)CC(=O)O MC112320 [0,2,0,0,0,0|1,0,0]=3 357 B8R0.23 CC(C)CC(Br)C(=O)O CS14792 [0,2,0,0,0,0|1,0,0]=3 358 B8R0.23 CC(C)CC(N)C(=O)O CS18600 [0,2,0,0,0,0|1,0,0]=3 359 B8R0.23 CC(C)CC(N)C(=O)O CS18604 [0,2,0,0,0,0|1,0,0]=3 360 B8R0.23 CC(C)CC(N)C(=O)O CS22248 [0,2,0,0,0,0|1,0,0]=3 361 B8R0.23 CC(C)CC(N)C(N)=O MC437832 [0,2,0,0,0,0|2,0,0]=4 362 B8R0.23 CC(C)CC(N)C(N)=O MC437833 [0,2,0,0,0,0|2,0,0]=4 363 B8R0.23 CC(C)CC(N)C(N)=O MC437834 [0,2,0,0,0,0|2,0,0]=4 364 B8R0.23 CC(C)CC(N)C(N)=O MC437835 [0,2,0,0,0,0|2,0,0]=4 365 B8R0.23 CC(C)CC(N)C(N)=O MC437836 [0,2,0,0,0,0|2,0,0]=4 366 B8R0.23 CC(C)CC(O)C(=O)O MC426019 [0,2,0,0,0,0|1,0,0]=3 367 B8R0.23 CC(C)CC(O)C(=O)O MC437768 [0,2,0,0,0,0|1,0,0]=3 368 B8R0.23 CC(C)CC(O)C(=O)O MC446675 [0,2,0,0,0,0|1,0,0]=3 369 B8R0.23 CC(NC(=N)N)C(=O)O MC435604 [0,2,0,0,0,0|1,0,1]=4 370 B8R0.23 CC(NC(N)=O)C(=O)O MC436835 [0,2,0,0,0,0|1,0,1]=4 371 B8R0.23 NC(=O)C(N)CC(=O)O MC436247 [0,2,0,0,0,0|0,0,1]=3 372 B8R0.23 NC(=O)C(N)CC(=O)O MC436248 [0,2,0,0,0,0|0,0,1]=3 373 B8R0.23 NC(=O)CC(N)C(=O)O CS19152 [0,2,0,0,0,0|0,0,1]=3 374 B8R0.23 NC(=O)CC(N)C(=O)O MC436231 [0,2,0,0,0,0|0,0,1]=3 375 B8R0.23 NC(=O)CC(N)C(N)=O MC436234 [0,2,0,0,0,0|1,0,1]=4 376 B8R0.23 NC(CC(=O)O)C(=O)O CS18065 [0,2,0,0,0,0|1,0,1]=4 377 B8R0.23 NC(CC(=O)O)C(=O)O MC436244 [0,2,0,0,0,0|1,0,1]=4 378 B8R0.23 O=C(O)CC(O)C(=O)O CS11286 [0,2,0,0,0,0|1,0,1]=4 379 B8R0.23 O=C(O)CC(O)C(=O)O MC20429 [0,2,0,0,0,0|1,0,1]=4 380 B8R0.1 C#CCCC(=O)OCC MC424003 [0,2,0,0,0,0|1,0,1]=4 381 B8R0.1 CCOC(=O)CCCO MC111642 [0,2,0,0,0,0|1,0,0]=3 382 B8R0.3 C#CCC(N)C(=O)OC MC438113 [0,2,0,0,0,0|1,0,1]=4 383 B8R0.3 CCCC(N)C(=O)OC MC438026 [0,2,0,0,0,0|1,0,0]=3 384 B8R0.3 COC(=O)C(Br)CCBr MC41887 [0,2,0,0,0,0|1,0,0]=3 385 B8R0.6 CCCCNC(=O)CCl CS11766 [0,2,0,0,0,0|2,0,0]=4 386 B8R0.6 CCCSCC(=O)OC MC434048 [0,2,0,0,0,0|1,0,0]=3 387 B8R0.8 CCCCC(N)C(=O)O MC428079 [0,2,0,0,0,0|1,0,0]=3 388 B8R0.8 CCCCC(N)C(=O)O MC428113 [0,2,0,0,0,0|1,0,0]=3 389 B8R0.8 CCCCC(N)C(=O)O MC428121 [0,2,0,0,0,0|1,0,0]=3 390 B8R0.8 CCCCC(N)C(N)=O MC438017 [0,2,0,0,0,0|2,0,0]=4 391 B8R0.8 CN(C)C(=O)CCCN MC112306 [0,2,0,0,0,0|1,0,0]=3 392 B8R0.8 CSCCC(N)C(=O)O CS18644 [0,2,0,0,0,0|1,0,0]=3 393 B8R0.8 CSCCC(N)C(=O)O MC428038 [0,2,0,0,0,0|1,0,0]=3 394 B8R0.8 CSCCC(N)C(=O)O MC428332 [0,2,0,0,0,0|1,0,0]=3 395 B8R0.8 CSCCC(N)C(N)=O MC437951 [0,2,0,0,0,0|2,0,0]=4 396 B8R0.8 CSCCC(N)C(N)=O MC439009 [0,2,0,0,0,0|2,0,0]=4 397 B8R0.8 C[Se]CCC(N)C(=O)O MC435432 [0,2,0,0,0,0|1,0,0]=3 398 B8R0.8 C[Se]CCC(N)C(=O)O MC435562 [0,2,0,0,0,0|1,0,0]=3 399 B8R0.8 NCCCC(N)C(=O)O CS22279 [0,2,0,0,0,0|0,0,0]=2 400 B8R0.8 NCCCC(N)C(=O)O MC438045 [0,2,0,0,0,0|0,0,0]=2 401 B8R0.8 NCCCC(N)C(=O)O MC439200 [0,2,0,0,0,0|0,0,0]=2 402 B8R0.8 NOCCC(N)C(=O)O MC100566 [0,2,0,0,0,0|0,0,0]=2 403 B8R0.8 NOCCC(N)C(=O)O MC114097 [0,2,0,0,0,0|0,0,0]=2 404 B8R0.9 COC(=O)CCC(=O)O CS11694 [0,2,0,0,0,0|1,0,1]=4 405 B8R0.9 COC(=O)CCS(=O)[O-] CS11954 [0,2,0,0,0,0|2,0,0]=4 406 B8R0.9 NCC(=O)CCC(=O)O CS10222 [0,2,0,0,0,0|0,0,0]=2 407 B8R0.9 NCC(=O)CCC(=O)O MC34214 [0,2,0,0,0,0|0,0,0]=2 408 B8R0.9 O=C(O)CNC(=O)CCl MC436845 [0,2,0,0,0,0|1,0,1]=4 409 B8R0.7 COCCOCC(=O)O MC10458 [0,2,0,0,0,0|1,0,0]=3 410 B8R0.7 CSCCCCC(=O)O MC112374 [0,2,0,0,0,0|1,0,0]=3 411 B8R0.7 N=C(N)NCCCCN MC436135 [0,2,0,0,0,0|2,0,0]=4 412 B8R0.7 NCCCCCC(=O)O CS13381 [0,2,0,0,0,0|0,0,0]=2 413 B8R0.7 O=C(O)CCCCCBr CS18405 [0,2,0,0,0,0|1,0,0]=3 414 B8R0.21 CS(=O)(=O)CCCCN MC116558 [0,2,0,0,0,0|1,0,1]=4 415 B8R0.21 NCCCOP(=O)([O-])[O-] MC20565 [0,2,0,0,0,0|1,0,1]=4 416 B8R0.28 CN(C)CCCC(=O)O CS18615 [0,2,0,0,0,0|0,0,0]=2 417 B8R0.28 CN(C)C\C=C\C(=O)O CS15971 [0,2,0,0,0,0|0,0,2]=4 418 B8R0.28 CN(C)C\C=C\C(=O)O CS16134 [0,2,0,0,0,0|0,0,2]=4 419 B8R0.28 CN(C)C\C=C\C(=O)O CS17703 [0,2,0,0,0,0|0,0,2]=4 420 B8R0.28 NC(=O)NCCC(=O)O MC436834 [0,2,0,0,0,0|0,0,1]=3 421 B8R0.28 O=C(O)CCCC(=O)O MC20876 [0,2,0,0,0,0|1,0,0]=3 422 B8R0.28 O=C(O)COCC(O)=S MC445127 [0,2,0,0,0,0|1,0,1]=4 423 B8R0.12 C=CCC(C)(C)C(=O)O MC20650 [0,2,0,0,0,0|1,0,1]=4 424 B8R0.12 CC(C)(CCN)C(=O)O MC442790 [0,2,0,0,0,0|0,0,0]=2 425 B8R0.12 COCC(F)(F)C(=O)O MC104134 [0,2,0,0,0,0|2,0,0]=4 426 B8R0.15 CCCC(NC)C(=O)O MC435490 [0,2,0,0,0,0|1,0,0]=3 427 B8R0.15 CCCC(NC)C(=O)O MC437925 [0,2,0,0,0,0|1,0,0]=3 428 B8R0.29 CC(C)(C)NCC(=O)O MC42032 [0,2,0,0,0,0|2,0,0]=4 429 B8R0.29 NS(=O)(=O)CCC(=O)O CS14468 [0,2,0,0,0,0|1,0,0]=3 430 B8R0.29 O=C(O)CCC(F)(F)F CS22479 [0,2,0,0,0,0|1,0,0]=3 431 B6R1.2 CC1=NCCC1 CS21664 [1,0,0,1,0,0|2,0,0]=4 432 B6R1.2 CC1CCCO1 MC20580 [1,0,0,1,0,0|1,0,1]=4 433 B6R1.2 NC1=NCCC1 CS19310 [1,0,0,1,0,0|2,0,0]=4 434 B6R1.2 O=C1CCCC1 MC21085 [1,0,0,1,0,0|1,0,0]=3 435 B6R1.2 O=C1CCNC1 CS22412 [1,0,0,1,0,0|1,0,0]=3 436 B6R1.2 O=C1CCOC1 CS18178 [1,0,0,1,0,0|2,0,0]=4 437 B6R1.2 O=C1CCSC1 MC20305 [1,0,0,1,0,0|2,0,0]=4 438 B6R1.2 O=C1CNCN1 CS15654 [1,0,0,1,0,0|2,0,0]=4 439 B6R1.2 O=C1NCCN1 CS21607 [1,0,0,1,0,0|2,0,0]=4 440 B6R1.2 O=C1NCCS1 CS20525 [1,0,0,1,0,0|1,1,0]=4 441 B6R1.2 O=C1OCCO1 CS20012 [1,0,0,1,0,0|1,0,0]=3 442 B6R1.2 OC1CCNC1 CS16166 [1,0,0,1,0,0|1,0,1]=4 443 B6R1.2 OC1CCNC1 CS16635 [1,0,0,1,0,0|1,0,1]=4 444 B6R1.2 OC1CCNC1 CS16650 [1,0,0,1,0,0|1,0,1]=4 445 B6R1.2 OC1CCNC1 CS17407 [1,0,0,1,0,0|1,0,1]=4 446 B6R1.2 OC1CCNC1 CS21757 [1,0,0,1,0,0|1,0,1]=4 447 B6R1.5 NC1CC(=O)C1 MC444232 [1,0,0,1,0,0|1,0,0]=3 448 B6R1.5 NC1CC(O)C1 MC105248 [1,0,0,1,0,0|1,0,1]=4 449 B6R1.5 NC1CC(O)C1 MC105286 [1,0,0,1,0,0|1,0,1]=4 450 B6R1.5 NC1CC(O)C1 MC444231 [1,0,0,1,0,0|1,0,1]=4 451 B6R1.5 NC1CC(O)C1 MC444480 [1,0,0,1,0,0|1,0,1]=4 452 B6R1.5 NC1CC(O)C1 MC444598 [1,0,0,1,0,0|1,0,1]=4 453 B6R1.5 O=C1CC(F)C1 MC104154 [1,0,0,1,0,0|2,0,0]=4 454 B6R1.11 N=C(N)C1CC1 CS16535 [1,0,0,1,0,0|2,0,0]=4 455 B6R1.11 NC(=O)C1CC1 CS16456 [1,0,0,1,0,0|1,0,0]=3 456 B6R1.11 NC(=S)C1CC1 MC21067 [1,0,0,1,0,0|1,1,0]=4 457 B6R1.11 O=C(Cl)C1CC1 MC434039 [1,0,0,1,0,0|1,0,0]=3 458 B6R1.11 O=C(O)C1CC1 CS13839 [1,0,0,1,0,0|0,0,0]=2 459 B6R1.11 O=C([O-])C1CO1 CS17514 [1,0,0,1,0,0|1,0,1]=4 460 B6R1.11 OB(O)C1CC1 MC20194 [1,0,0,1,0,0|1,0,1]=4 461 B6R1.1 C1=CCNCC1 MC444071 [1,0,0,1,0,0|1,0,1]=4 462 B6R1.1 C1=COCCC1 MC20500 [1,0,0,1,0,0|1,0,1]=4 463 B6R1.1 C1CCNNC1 CS17893 [1,0,0,1,0,0|1,0,1]=4 464 B6R1.4 CC1COC1=O MC121237 [1,0,0,1,0,0|2,0,0]=4 465 B6R1.4 NC1CCC1O MC111877 [1,0,0,1,0,0|0,0,1]=3 466 B6R1.6 BrCC1CCO1 MC444177 [1,0,0,1,0,0|1,0,1]=4 467 B6R1.6 NCC1CCC1 CS11178 [1,0,0,1,0,0|1,0,1]=4 468 B6R1.6 NCC1CCN1 MC121273 [1,0,0,1,0,0|1,0,1]=4 469 B6R1.6 NCC1CCO1 MC121118 [1,0,0,1,0,0|0,0,1]=3 470 B6R1.6 NCC1CNC1 MC105370 [1,0,0,1,0,0|2,0,0]=4 471 B6R1.6 NCC1COC1 MC10517 [1,0,0,1,0,0|2,0,0]=4 472 B6R1.6 NCC1CSC1 MC121257 [1,0,0,1,0,0|2,0,0]=4 473 B6R1.6 OCC1CCN1 CS15230 [1,0,0,1,0,0|0,0,1]=3 474 B6R1.6 OCC1CCN1 MC102029 [1,0,0,1,0,0|0,0,1]=3 475 B6R1.6 OCC1CCN1 MC102030 [1,0,0,1,0,0|0,0,1]=3 476 B6R1.6 OCC1CCO1 CS15009 [1,0,0,1,0,0|1,0,1]=4 477 B8R1.1 NCC1CNC(=O)C1 MC101927 [0,1,0,1,0,0|1,0,0]=3 478 B8R1.1 NCC1CNC(=O)C1 MC105678 [0,1,0,1,0,0|1,0,0]=3 479 B8R1.1 NCC1CNC(=O)C1 MC121239 [0,1,0,1,0,0|1,0,0]=3 480 B8R1.1 NCC1CNC(=O)O1 MC103408 [0,1,0,1,0,0|0,0,0]=2 481 B8R1.1 NCC1COC(=O)N1 MC104254 [0,1,0,1,0,0|1,0,0]=3 482 B8R1.1 NCc1cc(=O)no1 MC437997 [0,1,0,1,0,0|0,0,2]=4 483 B8R1.1 O=C1C=CC(CO)O1 MC20390 [0,1,0,1,0,0|1,0,1]=4 484 B8R1.1 O=C1CC(CF)CO1 MC10217 [0,1,0,1,0,0|1,0,0]=3 485 B8R1.1 O=C1CCC(CO)N1 CS13834 [0,1,0,1,0,0|2,0,0]=4 486 B8R1.1 O=C1CCC(CO)N1 CS15562 [0,1,0,1,0,0|2,0,0]=4 487 B8R1.1 O=C1NC(CO)CO1 MC427148 [0,1,0,1,0,0|2,0,0]=4 488 B8R1.4 CC1CC(=O)CCN1 MC101989 [0,1,0,1,0,0|2,0,0]=4 489 B8R1.4 CC1CC(=O)CCN1 MC103769 [0,1,0,1,0,0|2,0,0]=4 490 B8R1.4 CC1CC(=O)CCN1 MC444193 [0,1,0,1,0,0|2,0,0]=4 491 B8R1.4 CC1CC(=O)CCO1 MC103799 [0,1,0,1,0,0|2,0,0]=4 492 B8R1.4 CC1CC(=O)CCO1 MC103800 [0,1,0,1,0,0|2,0,0]=4 493 B8R1.4 CC1CC(=O)CCO1 MC31001 [0,1,0,1,0,0|2,0,0]=4 494 B8R1.4 CC1CNCC(=O)N1 MC103795 [0,1,0,1,0,0|2,0,0]=4 495 B8R1.4 CC1CNCC(=O)N1 MC104244 [0,1,0,1,0,0|2,0,0]=4 496 B8R1.4 CC1CNCC(=O)N1 MC444027 [0,1,0,1,0,0|2,0,0]=4 497 B8R1.4 CN1CCCC(O)C1 MC445500 [0,1,0,1,0,0|1,0,1]=4 498 B8R1.4 CN1CCNC(=O)C1 CS13438 [0,1,0,1,0,0|2,0,0]=4 499 B8R1.4 CN1CCOC(=O)C1 CS17566 [0,1,0,1,0,0|2,0,0]=4 500 B8R1.4 NC1CCCC(O)C1 CS17342 [0,1,0,1,0,0|1,0,1]=4 501 B8R1.4 NC1CCCC(O)C1 CS18558 [0,1,0,1,0,0|1,0,1]=4 502 B8R1.4 NC1CCCC(O)C1 MC116000 [0,1,0,1,0,0|1,0,1]=4 503 B8R1.4 NC1CCCC(O)C1 MC116001 [0,1,0,1,0,0|1,0,1]=4 504 B8R1.4 NC1CCNC(=O)C1 CS15459 [0,1,0,1,0,0|1,0,0]=3 505 B8R1.4 NC1CCNC(=O)C1 MC444313 [0,1,0,1,0,0|1,0,0]=3 506 B8R1.4 O=C1CCCC(=O)C1 CS19094 [0,1,0,1,0,0|2,0,0]=4 507 B8R1.4 O=C1CCCC(=O)O1 CS11243 [0,1,0,1,0,0|1,0,0]=3 508 B8R1.18 CC1CC(=O)OC1=O MC440511 [0,1,0,1,0,0|1,0,1]=4 509 B8R1.18 CN1CC(N)CC1=O MC104828 [0,1,0,1,0,0|2,0,0]=4 510 B8R1.31 NC1CCC1C(=O)O MC104253 [0,1,0,1,0,0|0,0,0]=2 511 B8R1.31 NC1CCC1C(=O)O MC104335 [0,1,0,1,0,0|0,0,0]=2 512 B8R1.31 NC1CCC1C(=O)O MC104421 [0,1,0,1,0,0|0,0,0]=2 513 B8R1.31 NC1CCC1C(=O)O MC105420 [0,1,0,1,0,0|0,0,0]=2 514 B8R1.34 CC(=O)SC1CNC1 MC103969 [0,1,0,1,0,0|2,0,0]=4 515 B8R1.34 O=C(O)CC1CCC1 CS11177 [0,1,0,1,0,0|1,0,0]=3 516 B8R1.34 O=C(O)CC1CNC1 MC103917 [0,1,0,1,0,0|0,0,0]=2 517 B8R1.34 O=C(O)CC1CNC1 MC444240 [0,1,0,1,0,0|0,0,0]=2 518 B8R1.34 O=C(O)CC1COC1 MC444158 [0,1,0,1,0,0|1,0,0]=3 519 B8R1.51 CC1(O)CCC(N)C1 MC104923 [0,1,0,1,0,0|1,0,1]=4 520 B8R1.51 NC1CCS(=O)(=O)C1 CS22113 [0,1,0,1,0,0|1,0,1]=4 521 B8R1.53 CC1(C)CC(CN)O1 MC115768 [0,1,0,1,0,0|1,0,1]=4 522 B8R1.53 CC1(O)CC(CN)C1 MC103743 [0,1,0,1,0,0|1,0,1]=4 523 B8R1.53 CC1(O)CC(CN)C1 MC104882 [0,1,0,1,0,0|1,0,1]=4 524 B8R1.83 COC(=O)C1CC1Br MC430638 [0,1,0,1,0,0|1,0,0]=3 525 B8R1.2 COC1CCCNC1 MC31194 [0,1,0,1,0,0|1,0,1]=4 526 B8R1.2 COC1CCCNC1 MC444290 [0,1,0,1,0,0|1,0,1]=4 527 B8R1.2 OCC1CCCNC1 CS15958 [0,1,0,1,0,0|1,0,1]=4 528 B8R1.2 OCC1CCCNC1 CS22817 [0,1,0,1,0,0|1,0,1]=4 529 B8R1.3 NC1CCC(=O)CC1 CS22583 [0,1,0,1,0,0|1,0,0]=3 530 B8R1.3 NC1CCC(=O)NC1 MC113024 [0,1,0,1,0,0|1,0,0]=3 531 B8R1.3 NC1CCC(=O)NC1 MC444382 [0,1,0,1,0,0|1,0,0]=3 532 B8R1.3 NC1CCC(O)CC1 CS12038 [0,1,0,1,0,0|1,0,1]=4 533 B8R1.3 NC1CCC(O)CC1 CS15381 [0,1,0,1,0,0|1,0,1]=4 534 B8R1.3 NC1CCC(O)CC1 CS18581 [0,1,0,1,0,0|1,0,1]=4 535 B8R1.3 NC1CCC(O)CC1 CS18592 [0,1,0,1,0,0|1,0,1]=4 536 B8R1.3 O=C1CCC(=O)NC1 CS21155 [0,1,0,1,0,0|1,0,1]=4 537 B8R1.3 O=C1CCC(O)CC1 CS22889 [0,1,0,1,0,0|2,0,0]=4 538 B8R1.5 CC1CCNCC1=O MC105562 [0,1,0,1,0,0|1,0,0]=3 539 B8R1.5 CC1CCNCC1O MC103744 [0,1,0,1,0,0|1,0,1]=4 540 B8R1.5 CC1CCNCC1O MC103745 [0,1,0,1,0,0|1,0,1]=4 541 B8R1.5 CC1CCNCC1O MC105563 [0,1,0,1,0,0|1,0,1]=4 542 B8R1.5 CC1CCNCC1O MC105564 [0,1,0,1,0,0|1,0,1]=4 543 B8R1.5 CC1CCNCC1O MC444275 [0,1,0,1,0,0|1,0,1]=4 544 B8R1.5 CN1CCNCC1=O CS17040 [0,1,0,1,0,0|2,0,0]=4 545 B8R1.5 CN1CCNCC1=O CS18390 [0,1,0,1,0,0|2,0,0]=4 546 B8R1.5 NC1CCCNC1=O MC106744 [0,1,0,1,0,0|1,0,1]=4 547 B8R1.5 O=C1CCCC=C1I MC106097 [0,1,0,1,0,0|2,0,0]=4 548 B8R1.5 O=C1CCCCC1=O CS20486 [0,1,0,1,0,0|1,0,1]=4 549 B8R1.5 O=C1NCCCC1Br CS14644 [0,1,0,1,0,0|1,0,1]=4 550 B8R1.5 O=C1NCCCC1O CS19689 [0,1,0,1,0,0|0,0,1]=3 551 B8R1.5 O=C1OCCCC1O CS16147 [0,1,0,1,0,0|1,0,0]=3 552 B8R1.5 OC1CCNCC1O MC101991 [0,1,0,1,0,0|1,0,1]=4 553 B8R1.5 OC1CCNCC1O MC111756 [0,1,0,1,0,0|1,0,1]=4 554 B8R1.5 OC1CCNCC1O MC116420 [0,1,0,1,0,0|1,0,1]=4 555 B8R1.5 OC1CNCCC1F MC101961 [0,1,0,1,0,0|1,0,1]=4 556 B8R1.22 O=C1CCCNCC1 CS19096 [0,1,0,1,0,0|1,0,0]=3 557 B8R1.22 O=C1CCNCCN1 CS18857 [0,1,0,1,0,0|2,0,0]=4 558 B8R1.22 O=C1CCSCCN1 MC121122 [0,1,0,1,0,0|2,0,0]=4 559 B8R1.22 O=S1CCCNCC1 MC100495 [0,1,0,1,0,0|2,0,0]=4 560 B8R1.38 COC(=O)C1CNC1 CS13402 [0,1,0,1,0,0|2,0,0]=4 561 B8R1.38 COC(=O)C1COC1 MC100370 [0,1,0,1,0,0|2,0,0]=4 562 B8R1.50 CC1=C(O)C(=O)CC1 CS16508 [0,1,0,1,0,0|1,0,1]=4 563 B8R1.50 O=C1CCC(=O)N1O CS19674 [0,1,0,1,0,0|1,0,1]=4 564 B8R1.7 CC(=O)C1CCCC1 CS20673 [0,1,0,1,0,0|2,0,0]=4 565 B8R1.7 CC(=O)C1CCCC1 MC445790 [0,1,0,1,0,0|2,0,0]=4 566 B8R1.7 NC(=O)C1C=CCN1 MC436936 [0,1,0,1,0,0|1,0,1]=4 567 B8R1.7 NC(=O)C1CCCN1 CS22629 [0,1,0,1,0,0|1,0,0]=3 568 B8R1.7 NC(=O)C1CCCN1 MC438122 [0,1,0,1,0,0|1,0,0]=3 569 B8R1.7 NC(=O)C1CCCN1 MC438123 [0,1,0,1,0,0|1,0,0]=3 570 B8R1.7 NC(=O)C1CCCN1 MC438124 [0,1,0,1,0,0|1,0,0]=3 571 B8R1.7 NC(=O)C1CCCN1 MC438125 [0,1,0,1,0,0|1,0,0]=3 572 B8R1.7 O=C(O)C1C=CCN1 MC436934 [0,1,0,1,0,0|0,0,1]=3 573 B8R1.7 O=C(O)C1C=CCN1 MC436935 [0,1,0,1,0,0|0,0,1]=3 574 B8R1.7 O=C(O)C1CCCN1 CS18287 [0,1,0,1,0,0|0,0,0]=2 575 B8R1.7 O=C(O)C1CCCN1 CS18742 [0,1,0,1,0,0|0,0,0]=2 576 B8R1.7 O=C(O)C1CCCN1 CS22249 [0,1,0,1,0,0|0,0,0]=2 577 B8R1.7 O=C(O)C1CCCO1 CS16192 [0,1,0,1,0,0|1,0,0]=3 578 B8R1.7 O=C(O)C1CCCO1 CS18232 [0,1,0,1,0,0|1,0,0]=3 579 B8R1.7 O=C(O)C1CCCO1 MC20393 [0,1,0,1,0,0|1,0,0]=3 580 B8R1.7 O=C(O)C1CCNC1 CS18444 [0,1,0,1,0,0|0,0,0]=2 581 B8R1.7 O=C(O)C1CCNC1 CS19637 [0,1,0,1,0,0|0,0,0]=2 582 B8R1.7 O=C(O)C1CCOC1 CS19475 [0,1,0,1,0,0|1,0,0]=3 583 B8R1.7 O=C(O)C1CCOC1 MC444586 [0,1,0,1,0,0|1,0,0]=3 584 B8R1.7 O=C(O)C1CSCN1 CS15627 [0,1,0,1,0,0|0,0,0]=2 585 B8R1.7 O=C(O)C1CSCN1 MC20446 [0,1,0,1,0,0|0,0,0]=2 586 B8R1.7 O=C(O)C1NCCS1 CS16514 [0,1,0,1,0,0|0,0,0]=2 587 B8R1.7 O=C([O-])C1CSCN1 MC436714 [0,1,0,1,0,0|0,0,1]=3 588 B8R1.35 O=C(O)CCC1CC1 CS19562 [0,1,0,1,0,0|1,0,0]=3 589 B8R1.72 CC1(O)CCCNC1 MC444294 [0,1,0,1,0,0|1,0,1]=4 590 B8R1.72 O=S1(=O)CCCCN1 MC428209 [0,1,0,1,0,0|1,0,1]=4 591 B8R1.23 C=C1CC(C(=O)O)C1 MC444295 [0,1,0,1,0,0|1,0,1]=4 592 B8R1.23 CC1CC(C(=O)O)C1 CS15188 [0,1,0,1,0,0|1,0,0]=3 593 B8R1.23 CC1CC(C(=O)O)C1 MC101958 [0,1,0,1,0,0|1,0,0]=3 594 B8R1.23 CC1CC(C(=O)O)C1 MC101959 [0,1,0,1,0,0|1,0,0]=3 595 B8R1.23 CN1CC(C(=O)O)C1 MC444119 [0,1,0,1,0,0|2,0,0]=4 596 B8R1.23 NC1CC(C(=O)O)C1 CS15871 [0,1,0,1,0,0|0,0,0]=2 597 B8R1.23 NC1CC(C(=O)O)C1 CS18457 [0,1,0,1,0,0|0,0,0]=2 598 B8R1.23 NC1CC(C(=O)O)C1 MC100079 [0,1,0,1,0,0|0,0,0]=2 599 B8R1.23 NC1CC(C(=O)O)C1 MC10550 [0,1,0,1,0,0|0,0,0]=2 600 B8R1.23 NC1CC(C(=O)O)C1 MC444597 [0,1,0,1,0,0|0,0,0]=2 601 B8R1.23 O=C(O)C1CC(Cl)C1 MC444263 [0,1,0,1,0,0|1,0,0]=3 602 B8R1.23 O=C(O)C1CC(F)C1 MC121085 [0,1,0,1,0,0|1,0,0]=3 603 B8R1.23 O=C(O)C1CC(O)C1 CS13147 [0,1,0,1,0,0|1,0,0]=3 604 B8R1.23 O=C(O)C1CC(O)C1 MC102155 [0,1,0,1,0,0|1,0,0]=3 605 B8R1.23 O=C(O)C1CC(O)C1 MC104924 [0,1,0,1,0,0|1,0,0]=3 606 B8R1.23 O=C1CC(C(=O)O)C1 CS18894 [0,1,0,1,0,0|1,0,1]=4 607 B8R1.23 O=C1CC(C(=O)O)N1 MC103900 [0,1,0,1,0,0|0,0,1]=3 608 B8R1.30 CC1(C(=O)O)CC1F MC102835 [0,1,0,1,0,0|1,0,0]=3 609 B8R1.30 CC1(C(=O)O)CC1F MC102836 [0,1,0,1,0,0|1,0,0]=3 610 B8R1.54 O=C(O)C(=O)C1CC1 CS15905 [0,1,0,1,0,0|1,0,1]=4 611 B8R1.78 CC1(C(=O)O)CCC1 MC21173 [0,1,0,1,0,0|1,0,0]=3 612 B8R1.78 CC1(C(=O)O)COC1 MC444297 [0,1,0,1,0,0|2,0,0]=4 613 B8R1.78 NC(=O)C1(N)CCC1 MC106178 [0,1,0,1,0,0|2,0,0]=4 614 B8R1.78 NC1(C(=O)O)CCC1 CS20591 [0,1,0,1,0,0|1,0,0]=3 615 B8R1.78 NC1(C(=O)O)CNC1 MC113165 [0,1,0,1,0,0|2,0,0]=4 616 B8R1.78 NC1(C(=O)O)COC1 MC444235 [0,1,0,1,0,0|2,0,0]=4 617 B8R1.78 NC1(C(=O)O)CSC1 MC100257 [0,1,0,1,0,0|2,0,0]=4 618 B8R1.78 O=C(O)C1(F)CNC1 MC103706 [0,1,0,1,0,0|2,0,0]=4 619 B8R1.77 CC1(C)CC1C(=O)O CS19841 [0,1,0,1,0,0|1,0,0]=3 620 B8R1.77 CC1(C)CC1C(N)=O MC427500 [0,1,0,1,0,0|2,0,0]=4 621 B8R1.77 O=C(O)C1CC1(F)Cl MC425307 [0,1,0,1,0,0|1,0,0]=3 622 B8R1.77 O=C(O)C1CC1(F)F MC429774 [0,1,0,1,0,0|1,0,0]=3 623 B8R2.23 C1NCC2CC1O2 MC102903 [0,0,0,2,0,0|1,0,1]=4 624 B8R2.66 O=C(O)C12CC1C2 MC104145 [0,0,0,2,0,0|1,0,0]=3