0 B5R0.1 C#CCC(=O)O HR107056 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 C=C(C)CCO HR139358 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.1 C=C(C)C[Mg]Cl HR118348 [0,0,0,0,0,0|4,0,0]=4 3 B5R0.1 C=C(C)OCC HR135003 [0,0,0,0,0,0|1,1,0]=2 4 B5R0.1 C=C(C)\C=C\[AlH3] HR142674 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.1 C=CCC(=O)O HR124911 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.1 C=CNC(C)=O HR112565 [0,0,0,0,0,0|1,0,2]=3 7 B5R0.1 CC#CC(=O)O HR16226 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.1 CC(=O)CCCl HR106274 [0,0,0,0,0,0|2,0,0]=2 9 B5R0.1 CC(=O)CCO HR131203 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.1 CC(=O)NCO HR105862 [0,0,0,0,0,0|2,0,0]=2 11 B5R0.1 CC(=O)OC=O HR100841 [0,0,0,0,0,0|1,1,1]=3 12 B5R0.1 CC(=O)OCBr HR127457 [0,0,0,0,0,0|1,1,0]=2 13 B5R0.1 CC(=O)OCCl HR101207 [0,0,0,0,0,0|1,1,0]=2 14 B5R0.1 CC(=O)\C=N\O HR126710 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.1 CC(Br)CCBr HR133153 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.1 CC(C)=CC=O HR138342 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.1 CC(C)=CCBr HR133883 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.1 CC(C)=CCCl HR127820 [0,0,0,0,0,0|3,0,0]=3 19 B5R0.1 CC(C)=CCN HR114772 [0,0,0,0,0,0|3,0,0]=3 20 B5R0.1 CC(C)=CCO HR138609 [0,0,0,0,0,0|3,0,0]=3 21 B5R0.1 CC(C)=CCS HR143870 [0,0,0,0,0,0|3,0,0]=3 22 B5R0.1 CC(C)=C[Mg]Br HR109568 [0,0,0,0,0,0|4,0,0]=4 23 B5R0.1 CC(C)=C[SiH2]Cl HR107199 [0,0,0,0,0,0|3,1,0]=4 24 B5R0.1 CC(C)CCI HR3950 [0,0,0,0,0,0|3,0,1]=4 25 B5R0.1 CC(N)CCO HR115385 [0,0,0,0,0,0|3,0,1]=4 26 B5R0.1 CC(N)CCO HR116440 [0,0,0,0,0,0|3,0,1]=4 27 B5R0.1 CC(N)CCO HR148505 [0,0,0,0,0,0|3,0,1]=4 28 B5R0.1 CC(O)CCO HR109448 [0,0,0,0,0,0|2,0,2]=4 29 B5R0.1 CC(O)CCO HR135973 [0,0,0,0,0,0|2,0,2]=4 30 B5R0.1 CCCB(O)O HR138252 [0,0,0,0,0,0|3,0,1]=4 31 B5R0.1 CCCC(=N)N HR126811 [0,0,0,0,0,0|3,0,0]=3 32 B5R0.1 CCCC(=O)Cl HR147587 [0,0,0,0,0,0|2,0,0]=2 33 B5R0.1 CCCC(=O)[O-] HR129884 [0,0,0,0,0,0|2,0,0]=2 34 B5R0.1 CCCC(=O)[O-] HR137474 [0,0,0,0,0,0|2,0,0]=2 35 B5R0.1 CCCC(C)Cl HR139357 [0,0,0,0,0,0|2,0,1]=3 36 B5R0.1 CCCC(C)N HR107397 [0,0,0,0,0,0|2,0,1]=3 37 B5R0.1 CCCC(C)O HR136841 [0,0,0,0,0,0|1,0,2]=3 38 B5R0.1 CCCC(C)O HR137349 [0,0,0,0,0,0|1,0,2]=3 39 B5R0.1 CCCC(C)S HR128554 [0,0,0,0,0,0|1,1,1]=3 40 B5R0.1 CCCC(N)=O HR137715 [0,0,0,0,0,0|2,0,0]=2 41 B5R0.1 CCNC(C)=O HR100775 [0,0,0,0,0,0|1,0,0]=1 42 B5R0.1 CCNC(N)=O HR126748 [0,0,0,0,0,0|2,0,0]=2 43 B5R0.1 CCNC(N)=[NH2+] HR145586 [0,0,0,0,0,0|3,0,0]=3 44 B5R0.1 CCOC(=N)N HR110036 [0,0,0,0,0,0|2,1,0]=3 45 B5R0.1 CCOC(=O)Cl IVSA07702 [0,0,0,0,0,0|1,1,0]=2 46 B5R0.1 CCOC(=S)[S-] HR127593 [0,0,0,0,0,0|1,2,0]=3 47 B5R0.1 CCOC(C)=N HR126641 [0,0,0,0,0,0|1,1,0]=2 48 B5R0.1 CCOC(N)=O HR123919 [0,0,0,0,0,0|1,1,0]=2 49 B5R0.1 CCSC(C)=O HR138399 [0,0,0,0,0,0|0,0,0]=0 50 B5R0.1 CCSC(C)=S HR129552 [0,0,0,0,0,0|0,1,0]=1 51 B5R0.1 CN(C)CCBr HR119410 [0,0,0,0,0,0|4,0,0]=4 52 B5R0.1 CN(C)CCCl HR136060 [0,0,0,0,0,0|4,0,0]=4 53 B5R0.1 CN(C)CCCl HR146713 [0,0,0,0,0,0|4,0,0]=4 54 B5R0.1 CN(C)CCN HR136677 [0,0,0,0,0,0|4,0,0]=4 55 B5R0.1 CN(C)CCO HR147675 [0,0,0,0,0,0|4,0,0]=4 56 B5R0.1 CN(C)CCS HR128457 [0,0,0,0,0,0|4,0,0]=4 57 B5R0.1 CN(C)CCS HR129079 [0,0,0,0,0,0|4,0,0]=4 58 B5R0.1 CNCC(=O)O HR132326 [0,0,0,0,0,0|3,0,0]=3 59 B5R0.1 CNCC(=O)[O-] HR133335 [0,0,0,0,0,0|3,0,0]=3 60 B5R0.1 COCC(=N)N HR105552 [0,0,0,0,0,0|4,0,0]=4 61 B5R0.1 COCC(=O)Cl HR138385 [0,0,0,0,0,0|3,0,0]=3 62 B5R0.1 COCC(=O)O HR137614 [0,0,0,0,0,0|3,0,0]=3 63 B5R0.1 COCC(C)=O HR124731 [0,0,0,0,0,0|2,0,0]=2 64 B5R0.1 COCC(C)N HR140312 [0,0,0,0,0,0|3,0,1]=4 65 B5R0.1 COCC(C)O HR106636 [0,0,0,0,0,0|2,0,2]=4 66 B5R0.1 COCC(C)O HR128113 [0,0,0,0,0,0|2,0,2]=4 67 B5R0.1 COCC(C)O HR1904 [0,0,0,0,0,0|2,0,2]=4 68 B5R0.1 CSCC(C)=O HR104929 [0,0,0,0,0,0|2,0,0]=2 69 B5R0.1 CSCC(N)=O HR105921 [0,0,0,0,0,0|3,0,0]=3 70 B5R0.1 C\C(N)=C/C#N HR126883 [0,0,0,0,0,0|3,0,1]=4 71 B5R0.1 C\C=C\C(=O)Cl HR100850 [0,0,0,0,0,0|2,0,1]=3 72 B5R0.1 C\C=C\C(=O)Cl HR133043 [0,0,0,0,0,0|2,0,1]=3 73 B5R0.1 N#CCC(=O)O HR146964 [0,0,0,0,0,0|3,0,1]=4 74 B5R0.1 N#CCC(N)=O HR124127 [0,0,0,0,0,0|3,0,1]=4 75 B5R0.1 NC(=O)CCO HR101159 [0,0,0,0,0,0|3,0,0]=3 76 B5R0.1 NC(=O)NCO HR121643 [0,0,0,0,0,0|3,0,0]=3 77 B5R0.1 NCCC(=O)O HR120135 [0,0,0,0,0,0|3,0,0]=3 78 B5R0.1 NCCC(=O)O HR136538 [0,0,0,0,0,0|3,0,0]=3 79 B5R0.1 NCCC(N)=O HR123050 [0,0,0,0,0,0|3,0,0]=3 80 B5R0.1 NOCC(=O)O HR107090 [0,0,0,0,0,0|4,0,0]=4 81 B5R0.1 O=C(Cl)CCBr HR132550 [0,0,0,0,0,0|3,0,0]=3 82 B5R0.1 O=C(Cl)CCCl HR125686 [0,0,0,0,0,0|3,0,0]=3 83 B5R0.1 O=C(O)CCBr HR146768 [0,0,0,0,0,0|3,0,0]=3 84 B5R0.1 O=C(O)CCI HR118002 [0,0,0,0,0,0|3,0,0]=3 85 B5R0.1 O=C(O)CCO HR12598 [0,0,0,0,0,0|3,0,0]=3 86 B5R0.1 O=C(O)CCS BACQ02107 [0,0,0,0,0,0|3,0,0]=3 87 B5R0.1 O=C(O)\C=C\I HR145754 [0,0,0,0,0,0|3,0,1]=4 88 B5R0.1 O=[N+]([O-])CCO HR122802 [0,0,0,0,0,0|4,0,0]=4 89 B4R0.1 C=C(Br)CBr HR112152 [1,0,0,0,0,0|2,0,1]=4 90 B4R0.1 C=C(C)CBr HR118272 [1,0,0,0,0,0|2,0,0]=3 91 B4R0.1 C=C(C)CN HR103061 [1,0,0,0,0,0|2,0,0]=3 92 B4R0.1 C=C(C)OC HR127251 [1,0,0,0,0,0|1,1,0]=3 93 B4R0.1 C=C(C)[Mg]Br HR133880 [1,0,0,0,0,0|3,0,0]=4 94 B4R0.1 C=CC(=O)Cl HR138421 [1,0,0,0,0,0|1,0,2]=4 95 B4R0.1 C=CC(=O)O HR147507 [1,0,0,0,0,0|1,0,2]=4 96 B4R0.1 C=CC(=O)[O-] HR107941 [1,0,0,0,0,0|1,0,2]=4 97 B4R0.1 C=CC(=O)[O-] HR108077 [1,0,0,0,0,0|1,0,2]=4 98 B4R0.1 C=CC(=O)[O-] HR108254 [1,0,0,0,0,0|1,0,2]=4 99 B4R0.1 C=CC(=O)[O-] HR114407 [1,0,0,0,0,0|1,0,2]=4 100 B4R0.1 C=CC(=O)[O-] HR128661 [1,0,0,0,0,0|1,0,2]=4 101 B4R0.1 C=CC(=O)[O-] HR138209 [1,0,0,0,0,0|1,0,2]=4 102 B4R0.1 C=CC(C)=O NASA01402 [1,0,0,0,0,0|0,0,2]=3 103 B4R0.1 C=CC(N)=O HR124129 [1,0,0,0,0,0|1,0,2]=4 104 B4R0.1 C=CC(N)=O HR132105 [1,0,0,0,0,0|1,0,2]=4 105 B4R0.1 C=CC(N)=O HR147511 [1,0,0,0,0,0|1,0,2]=4 106 B4R0.1 CC(=O)C=O HR138052 [1,0,0,0,0,0|1,0,1]=3 107 B4R0.1 CC(=O)CBr HR147584 [1,0,0,0,0,0|1,0,0]=2 108 B4R0.1 CC(=O)CCl HR146994 [1,0,0,0,0,0|1,0,0]=2 109 B4R0.1 CC(=O)CN HR103911 [1,0,0,0,0,0|1,0,0]=2 110 B4R0.1 CC(=O)CN HR120199 [1,0,0,0,0,0|1,0,0]=2 111 B4R0.1 CC(=O)CO HR130889 [1,0,0,0,0,0|1,0,0]=2 112 B4R0.1 CC(=O)NN HR137209 [1,0,0,0,0,0|2,0,0]=3 113 B4R0.1 CC(=O)NO HR132350 [1,0,0,0,0,0|2,0,0]=3 114 B4R0.1 CC(=O)OO HR147573 [1,0,0,0,0,0|1,1,0]=3 115 B4R0.1 CC(C)=C=O HR100570 [1,0,0,0,0,0|2,0,1]=4 116 B4R0.1 CC(C)=NO HR135300 [1,0,0,0,0,0|3,0,0]=4 117 B4R0.1 CC(Cl)CO HR137607 [1,0,0,0,0,0|2,0,1]=4 118 B4R0.1 CC(Cl)CO HR145870 [1,0,0,0,0,0|2,0,1]=4 119 B4R0.1 CC(Cl)CO HR8287 [1,0,0,0,0,0|2,0,1]=4 120 B4R0.1 CC(N)CN HR107514 [1,0,0,0,0,0|2,0,1]=4 121 B4R0.1 CC(N)CN HR114377 [1,0,0,0,0,0|2,0,1]=4 122 B4R0.1 CC(N)CO HR128063 [1,0,0,0,0,0|2,0,1]=4 123 B4R0.1 CC(N)CO RESA03608 [1,0,0,0,0,0|2,0,1]=4 124 B4R0.1 CC(N)CO VAJB01501 [1,0,0,0,0,0|2,0,1]=4 125 B4R0.1 CC(O)CBr HR101360 [1,0,0,0,0,0|1,0,2]=4 126 B4R0.1 CC(O)CCl HR135269 [1,0,0,0,0,0|1,0,2]=4 127 B4R0.1 CC(O)CCl HR137859 [1,0,0,0,0,0|1,0,2]=4 128 B4R0.1 CC(O)CN HR124975 [1,0,0,0,0,0|1,0,2]=4 129 B4R0.1 CC(O)CN RESA03408 [1,0,0,0,0,0|1,0,2]=4 130 B4R0.1 CC(O)CO HR123224 [1,0,0,0,0,0|1,0,2]=4 131 B4R0.1 CC(O)CO HR134690 [1,0,0,0,0,0|1,0,2]=4 132 B4R0.1 CC(O)CO HR135390 [1,0,0,0,0,0|1,0,2]=4 133 B4R0.1 CC([NH3+])CO HR127458 [1,0,0,0,0,0|2,0,1]=4 134 B4R0.1 CC=C(Cl)Cl HR101176 [1,0,0,0,0,0|2,0,1]=4 135 B4R0.1 CCB(O)O HR132210 [1,0,0,0,0,0|2,0,1]=4 136 B4R0.1 CCC(=N)N HR124081 [1,0,0,0,0,0|2,0,0]=3 137 B4R0.1 CCC(=O)[O-] HR100550 [1,0,0,0,0,0|1,0,0]=2 138 B4R0.1 CCC(=O)[O-] HR104439 [1,0,0,0,0,0|1,0,0]=2 139 B4R0.1 CCC(=O)[O-] HR133146 [1,0,0,0,0,0|1,0,0]=2 140 B4R0.1 CCC(=O)[O-] HR133686 [1,0,0,0,0,0|1,0,0]=2 141 B4R0.1 CCC(=O)[O-] HR140520 [1,0,0,0,0,0|1,0,0]=2 142 B4R0.1 CCC(=O)[O-] HR145618 [1,0,0,0,0,0|1,0,0]=2 143 B4R0.1 CCC(C)N HR146170 [1,0,0,0,0,0|1,0,1]=3 144 B4R0.1 CCC(C)O HR134477 [1,0,0,0,0,0|0,0,2]=3 145 B4R0.1 CCC(C)O HR138640 [1,0,0,0,0,0|0,0,2]=3 146 B4R0.1 CCC(C)[O-] HR123042 [1,0,0,0,0,0|0,0,2]=3 147 B4R0.1 CCC(N)=O HR135085 [1,0,0,0,0,0|1,0,0]=2 148 B4R0.1 CCC(N)=S HR103772 [1,0,0,0,0,0|1,1,0]=3 149 B4R0.1 CCC(N)N HR113560 [1,0,0,0,0,0|2,0,1]=4 150 B4R0.1 CCN(C)C HR137292 [1,0,0,0,0,0|2,0,0]=3 151 B4R0.1 CCS(=O)[O-] HR107475 [1,0,0,0,0,0|2,0,0]=3 152 B4R0.1 CC[N+](=O)[O-] ANSA06411 [1,0,0,0,0,0|2,0,0]=3 153 B4R0.1 CNC(=N)N HR100834 [1,0,0,0,0,0|3,0,0]=4 154 B4R0.1 CNC(=N)N HR127277 [1,0,0,0,0,0|3,0,0]=4 155 B4R0.1 CNC(=O)Cl HR124675 [1,0,0,0,0,0|2,0,0]=3 156 B4R0.1 CNC(C)=O HR133410 [1,0,0,0,0,0|1,0,0]=2 157 B4R0.1 CNC(C)C HR108788 [1,0,0,0,0,0|2,0,1]=4 158 B4R0.1 CNC(N)=O HR130491 [1,0,0,0,0,0|2,0,0]=3 159 B4R0.1 CNC(N)=S HR130920 [1,0,0,0,0,0|2,1,0]=4 160 B4R0.1 COC(=N)N HR109396 [1,0,0,0,0,0|2,1,0]=4 161 B4R0.1 COC(=N)N HR124434 [1,0,0,0,0,0|2,1,0]=4 162 B4R0.1 COC(=N)N HR127122 [1,0,0,0,0,0|2,1,0]=4 163 B4R0.1 COC(=N)N HR128592 [1,0,0,0,0,0|2,1,0]=4 164 B4R0.1 COC(=O)Cl ANSA06440 [1,0,0,0,0,0|1,1,0]=3 165 B4R0.1 COC(N)=O HR124182 [1,0,0,0,0,0|1,1,0]=3 166 B4R0.1 CO[SiH](C)C HR100966 [1,0,0,0,0,0|1,2,0]=4 167 B4R0.1 CSC(=N)N HR104771 [1,0,0,0,0,0|2,0,0]=3 168 B4R0.1 CSC(=N)N HR136603 [1,0,0,0,0,0|2,0,0]=3 169 B4R0.1 CSC(=N)N HR136931 [1,0,0,0,0,0|2,0,0]=3 170 B4R0.1 CSC(C)=O HR129778 [1,0,0,0,0,0|0,0,0]=1 171 B4R0.1 CSC(C)C HR129517 [1,0,0,0,0,0|1,0,1]=3 172 B4R0.1 N=C(N)CN HR125328 [1,0,0,0,0,0|3,0,0]=4 173 B4R0.1 N=C(N)CO HR114385 [1,0,0,0,0,0|3,0,0]=4 174 B4R0.1 NC(=O)CBr HR101040 [1,0,0,0,0,0|2,0,0]=3 175 B4R0.1 NC(=O)CBr HR132005 [1,0,0,0,0,0|2,0,0]=3 176 B4R0.1 NC(=O)CCl HR138619 [1,0,0,0,0,0|2,0,0]=3 177 B4R0.1 NC(=O)CI HR127038 [1,0,0,0,0,0|2,0,0]=3 178 B4R0.1 NC(=O)NO HR136334 [1,0,0,0,0,0|3,0,0]=4 179 B4R0.1 NCC(=O)O HR123103 [1,0,0,0,0,0|2,0,0]=3 180 B4R0.1 NCC(=O)O HR134482 [1,0,0,0,0,0|2,0,0]=3 181 B4R0.1 NCC(=O)[O-] HR100672 [1,0,0,0,0,0|2,0,0]=3 182 B4R0.1 NCC(=O)[O-] HR132852 [1,0,0,0,0,0|2,0,0]=3 183 B4R0.1 NCC(=O)[O-] HR132860 [1,0,0,0,0,0|2,0,0]=3 184 B4R0.1 NCC(=O)[O-] HR134278 [1,0,0,0,0,0|2,0,0]=3 185 B4R0.1 NCC(=O)[O-] HR136299 [1,0,0,0,0,0|2,0,0]=3 186 B4R0.1 NCC(=O)[O-] HR9921 [1,0,0,0,0,0|2,0,0]=3 187 B4R0.1 NCC(N)=O HR123368 [1,0,0,0,0,0|2,0,0]=3 188 B4R0.1 NCC(N)=O SESA01801 [1,0,0,0,0,0|2,0,0]=3 189 B4R0.1 NNC(N)=O AZXF00310 [1,0,0,0,0,0|3,0,0]=4 190 B4R0.1 NNC(N)=O HR100595 [1,0,0,0,0,0|3,0,0]=4 191 B4R0.1 O=C(Br)CBr POCQ01902 [1,0,0,0,0,0|2,0,0]=3 192 B4R0.1 O=C(Cl)CBr POCQ01905 [1,0,0,0,0,0|2,0,0]=3 193 B4R0.1 O=C(Cl)CCl SQJB01602 [1,0,0,0,0,0|2,0,0]=3 194 B4R0.1 O=C(Cl)CF HR102086 [1,0,0,0,0,0|2,0,0]=3 195 B4R0.1 O=C(O)CBr HR147062 [1,0,0,0,0,0|2,0,0]=3 196 B4R0.1 O=C(O)CCl HR147508 [1,0,0,0,0,0|2,0,0]=3 197 B4R0.1 O=C(O)CO HR128939 [1,0,0,0,0,0|2,0,0]=3 198 B4R0.1 O=C(O)CS HR128237 [1,0,0,0,0,0|2,0,0]=3 199 B4R0.1 O=C([O-])CBr HR116499 [1,0,0,0,0,0|2,0,0]=3 200 B4R0.1 O=C([O-])CI HR131471 [1,0,0,0,0,0|2,0,0]=3 201 B4R0.1 O=C([O-])CO HR134522 [1,0,0,0,0,0|2,0,0]=3 202 B4R0.1 O=C([O-])CS HR135616 [1,0,0,0,0,0|2,0,0]=3 203 B4R0.1 O=C([O-])CS HR135882 [1,0,0,0,0,0|2,0,0]=3 204 B4R0.1 O=C([O-])CS HR136156 [1,0,0,0,0,0|2,0,0]=3 205 B4R0.1 O=C([O-])CS HR137167 [1,0,0,0,0,0|2,0,0]=3 206 B4R0.1 O=CC(=O)O APSA07202 [1,0,0,0,0,0|2,0,1]=4 207 B4R0.1 O=CC(=O)O HR136448 [1,0,0,0,0,0|2,0,1]=4 208 B4R0.1 O=CC(=O)O HR136846 [1,0,0,0,0,0|2,0,1]=4 209 B4R0.1 O=S([O-])CO HR127617 [1,0,0,0,0,0|3,0,0]=4 210 B4R0.1 O=[N+]([O-])CBr HR134853 [1,0,0,0,0,0|3,0,0]=4 211 B4R0.1 [Li]C(C)CC HR128023 [1,0,0,0,0,0|1,0,1]=3 212 B4R0.1 [Li]CC(C)C HR106513 [1,0,0,0,0,0|2,0,1]=4 213 B4R0.2 C#COCC HR126988 [1,0,0,0,0,0|0,1,2]=4 214 B4R0.2 C=CCCBr HR124734 [1,0,0,0,0,0|2,0,1]=4 215 B4R0.2 C=CCCN HR116389 [1,0,0,0,0,0|2,0,1]=4 216 B4R0.2 C=CCCO HR127635 [1,0,0,0,0,0|2,0,1]=4 217 B4R0.2 C=CCOC HR111200 [1,0,0,0,0,0|2,0,1]=4 218 B4R0.2 C=CCSC HR122911 [1,0,0,0,0,0|2,0,1]=4 219 B4R0.2 C=COCC CESA03009 [1,0,0,0,0,0|0,1,1]=3 220 B4R0.2 CC#CCBr HR113868 [1,0,0,0,0,0|2,0,1]=4 221 B4R0.2 CC#CCO HR131453 [1,0,0,0,0,0|2,0,1]=4 222 B4R0.2 CCCCN HR105634 [1,0,0,0,0,0|2,0,1]=4 223 B4R0.2 CCCCO HR138784 [1,0,0,0,0,0|1,0,2]=4 224 B4R0.2 CCCC[O-] HR125276 [1,0,0,0,0,0|1,0,2]=4 225 B4R0.2 CCCC[Si] HR100255 [1,0,0,0,0,0|1,1,1]=4 226 B4R0.2 CCCNC HR109098 [1,0,0,0,0,0|2,0,0]=3 227 B4R0.2 CCCSC HR128481 [1,0,0,0,0,0|2,0,0]=3 228 B4R0.2 CCC[Mg]Br HR101998 [1,0,0,0,0,0|3,0,0]=4 229 B4R0.2 CCC[Mg]Cl HR101421 [1,0,0,0,0,0|3,0,0]=4 230 B4R0.2 CCN=C=S HR125225 [1,0,0,0,0,0|1,1,1]=4 231 B4R0.2 CCNC=O HR104364 [1,0,0,0,0,0|1,0,0]=2 232 B4R0.2 CCNCC HR101857 [1,0,0,0,0,0|1,0,1]=3 233 B4R0.2 CCNCC HR127000 [1,0,0,0,0,0|1,0,1]=3 234 B4R0.2 CCNCC HR132573 [1,0,0,0,0,0|1,0,1]=3 235 B4R0.2 CCOC=N HR105865 [1,0,0,0,0,0|1,1,0]=3 236 B4R0.2 CCPCC HR117135 [1,0,0,0,0,0|1,0,1]=3 237 B4R0.2 CCSCC HR120777 [1,0,0,0,0,0|0,0,1]=2 238 B4R0.2 CCSCC HR127285 [1,0,0,0,0,0|0,0,1]=2 239 B4R0.2 CCSSC HR129263 [1,0,0,0,0,0|1,0,0]=2 240 B4R0.2 CC\C=C\Br HR114361 [1,0,0,0,0,0|2,0,0]=3 241 B4R0.2 CNCCO HR131851 [1,0,0,0,0,0|3,0,0]=4 242 B4R0.2 COCCBr HR2138 [1,0,0,0,0,0|3,0,0]=4 243 B4R0.2 COCCCl HR130902 [1,0,0,0,0,0|3,0,0]=4 244 B4R0.2 COCCN HR101134 [1,0,0,0,0,0|3,0,0]=4 245 B4R0.2 CO[Ca]OC HR130023 [1,0,0,0,0,0|3,0,0]=4 246 B4R0.2 CSCC=O HR129243 [1,0,0,0,0,0|2,0,0]=3 247 B4R0.2 CSCCN HR110636 [1,0,0,0,0,0|3,0,0]=4 248 B4R0.2 CSCCO HR125294 [1,0,0,0,0,0|3,0,0]=4 249 B4R0.2 CSCSC HR125290 [1,0,0,0,0,0|3,0,0]=4 250 B4R0.2 CSSSC HR136400 [1,0,0,0,0,0|2,0,0]=3 251 B4R0.2 C\C=C\C#N HR148236 [1,0,0,0,0,0|2,0,1]=4 252 B4R0.2 C\C=C\CC HR121335 [1,0,0,0,0,0|1,0,0]=2 253 B4R0.2 C\C=C\CC HR121956 [1,0,0,0,0,0|1,0,0]=2 254 B4R0.2 C\C=C\CCl HR130392 [1,0,0,0,0,0|2,0,0]=3 255 B4R0.2 C\C=C\CN HR109640 [1,0,0,0,0,0|2,0,0]=3 256 B4R0.2 C\C=C\OC HR102446 [1,0,0,0,0,0|2,0,0]=3 257 B4R0.2 Cl\C=C\CCl HR127094 [1,0,0,0,0,0|3,0,0]=4 258 B4R0.2 Cl\C=C\CCl HR137813 [1,0,0,0,0,0|3,0,0]=4 259 B4R0.2 N#CCC=O HR116464 [1,0,0,0,0,0|2,0,1]=4 260 B4R0.2 [Li]CCCC HR138942 [1,0,0,0,0,0|2,0,1]=4 261 B6R0.1 C#CC(=O)NCC HR116239 [0,1,0,0,0,0|1,0,1]=3 262 B6R0.1 C#CC(=O)OCC HR132600 [0,1,0,0,0,0|0,1,1]=3 263 B6R0.1 C#C\C(C)=C/CO HR102743 [0,1,0,0,0,0|3,0,0]=4 264 B6R0.1 C#C\C(C)=C/CO HR110020 [0,1,0,0,0,0|3,0,0]=4 265 B6R0.1 C=CC(=O)CCC HR100488 [0,1,0,0,0,0|1,0,1]=3 266 B6R0.1 C=CC(=O)NCO HR132117 [0,1,0,0,0,0|2,0,1]=4 267 B6R0.1 C=COC(=O)CC HR145643 [0,1,0,0,0,0|0,1,2]=4 268 B6R0.1 CC#CC(=O)OC HR141249 [0,1,0,0,0,0|1,0,1]=3 269 B6R0.1 CCC(=O)CC#N HR104780 [0,1,0,0,0,0|2,0,1]=4 270 B6R0.1 CCC(=O)CSC HR123442 [0,1,0,0,0,0|2,0,0]=3 271 B6R0.1 CCCC(=O)NN HR113429 [0,1,0,0,0,0|2,0,0]=3 272 B6R0.1 CCCC(=O)SC HR136352 [0,1,0,0,0,0|1,0,0]=2 273 B6R0.1 CCCC(=S)OC HR122832 [0,1,0,0,0,0|1,1,0]=3 274 B6R0.1 CCCC(Br)CBr HR132339 [0,1,0,0,0,0|2,0,1]=4 275 B6R0.1 CCCC(Br)CC HR118696 [0,1,0,0,0,0|2,0,1]=4 276 B6R0.1 CCCC(N)CO HR112281 [0,1,0,0,0,0|2,0,1]=4 277 B6R0.1 CCCC(O)CO HR126914 [0,1,0,0,0,0|1,0,2]=4 278 B6R0.1 CCOC(=N)CCl HR112327 [0,1,0,0,0,0|1,1,0]=3 279 B6R0.1 CCOC(=O)C=O HR130872 [0,1,0,0,0,0|0,1,1]=3 280 B6R0.1 CCOC(=O)CBr AMJB00601 [0,1,0,0,0,0|0,1,0]=2 281 B6R0.1 CCOC(=O)CCl HR147617 [0,1,0,0,0,0|0,1,0]=2 282 B6R0.1 CCOC(=O)CN HR134743 [0,1,0,0,0,0|0,1,0]=2 283 B6R0.1 CCOC(=O)CO HR127384 [0,1,0,0,0,0|0,1,0]=2 284 B6R0.1 CCOC(=O)CS HR136673 [0,1,0,0,0,0|0,1,0]=2 285 B6R0.1 CCOC(=O)NN HR102667 [0,1,0,0,0,0|1,1,0]=3 286 B6R0.1 CCOC(=O)NN HR138962 [0,1,0,0,0,0|1,1,0]=3 287 B6R0.1 CCOC(=O)OC HR138173 [0,1,0,0,0,0|0,1,0]=2 288 B6R0.1 CCOC(=S)S[Na] HR127866 [0,1,0,0,0,0|1,2,0]=4 289 B6R0.1 CCOC(Br)CBr HR133561 [0,1,0,0,0,0|1,1,1]=4 290 B6R0.1 CCO\C(C)=N/O SIJL01004 [0,1,0,0,0,0|0,1,1]=3 291 B6R0.1 CCSC(=O)CC HR138214 [0,1,0,0,0,0|0,0,0]=1 292 B6R0.1 CNC(=O)CC#N HR121877 [0,1,0,0,0,0|2,0,1]=4 293 B6R0.1 CNCC(=O)OC HR130436 [0,1,0,0,0,0|2,0,0]=3 294 B6R0.1 COC(=O)CC#N OLSA05202 [0,1,0,0,0,0|2,0,1]=4 295 B6R0.1 COC(=O)CCBr HR133552 [0,1,0,0,0,0|2,0,0]=3 296 B6R0.1 COC(=O)CCN HR135038 [0,1,0,0,0,0|2,0,0]=3 297 B6R0.1 COC(=O)CCS HR133169 [0,1,0,0,0,0|2,0,0]=3 298 B6R0.1 COC(=O)N=C=O HR121998 [0,1,0,0,0,0|2,0,1]=4 299 B6R0.1 COC(=O)NC#N HR128405 [0,1,0,0,0,0|2,0,1]=4 300 B6R0.1 COC(=O)\C=C\N HR109927 [0,1,0,0,0,0|2,0,1]=4 301 B6R0.1 COCC(=O)OC HR147666 [0,1,0,0,0,0|2,0,0]=3 302 B6R0.1 C\C=C\C(=O)CC HR108073 [0,1,0,0,0,0|1,0,1]=3 303 B6R0.1 O=C(CCl)NCO HR124394 [0,1,0,0,0,0|2,0,0]=3 304 B6R0.1 [C-]#[N+]CC(=O)OC HR110956 [0,1,0,0,0,0|2,0,1]=4 305 B6R0.2 CC(=O)CC(=O)[O-] HR126081 [0,1,0,0,0,0|2,0,1]=4 306 B6R0.2 CC(=O)CC(C)=O AVJB01201 [0,1,0,0,0,0|1,0,1]=3 307 B6R0.2 CC(=O)CC(C)=O CUSA07105 [0,1,0,0,0,0|1,0,1]=3 308 B6R0.2 CC(=O)CC(C)=O HR108604 [0,1,0,0,0,0|1,0,1]=3 309 B6R0.2 CC(=O)CC(N)=O HR125580 [0,1,0,0,0,0|2,0,1]=4 310 B6R0.2 CC(=O)NC(=N)N HR3986 [0,1,0,0,0,0|2,0,1]=4 311 B6R0.2 CC(=O)NC(C)C ABSA04901 [0,1,0,0,0,0|1,0,0]=2 312 B6R0.2 CC(=O)OC(C)=O NASA01407 [0,1,0,0,0,0|0,1,1]=3 313 B6R0.2 CC(=O)OC(C)Br HR115050 [0,1,0,0,0,0|0,1,0]=2 314 B6R0.2 CC(=O)\C=C(/C)N HR105871 [0,1,0,0,0,0|1,0,1]=3 315 B6R0.2 CC(=O)\C=C(\C)[O-] HR100501 [0,1,0,0,0,0|1,0,1]=3 316 B6R0.2 CC(=O)\C=C(\C)[O-] HR107173 [0,1,0,0,0,0|1,0,1]=3 317 B6R0.2 CC(=O)\C=C(\C)[O-] HR113781 [0,1,0,0,0,0|1,0,1]=3 318 B6R0.2 CC(=O)\C=C(\C)[O-] HR117143 [0,1,0,0,0,0|1,0,1]=3 319 B6R0.2 CC(C)=CC(=O)Cl HR129281 [0,1,0,0,0,0|2,0,1]=4 320 B6R0.2 CC(C)=CC(=O)O HR21295 [0,1,0,0,0,0|2,0,1]=4 321 B6R0.2 CC(C)CC(=O)O HR123359 [0,1,0,0,0,0|2,0,0]=3 322 B6R0.2 CC(C)CC(C)N HR121969 [0,1,0,0,0,0|2,0,1]=4 323 B6R0.2 CC(C)CC(N)=O HR109732 [0,1,0,0,0,0|2,0,0]=3 324 B6R0.2 CC(C)NC(C)C HR112890 [0,1,0,0,0,0|2,0,1]=4 325 B6R0.2 CC(C)NC(C)C HR124493 [0,1,0,0,0,0|2,0,1]=4 326 B6R0.2 CC(C)OC(=S)[S-] HR128420 [0,1,0,0,0,0|1,2,0]=4 327 B6R0.2 CC(C)PC(C)C HR107656 [0,1,0,0,0,0|2,0,1]=4 328 B6R0.2 CC(C)SC(C)C HR122292 [0,1,0,0,0,0|1,0,1]=3 329 B6R0.2 CC(Cl)CN(C)C HR127922 [0,1,0,0,0,0|3,0,0]=4 330 B6R0.2 CC(N)CC(=O)O HR103780 [0,1,0,0,0,0|2,0,0]=3 331 B6R0.2 CC(N)CC(=O)O HR116211 [0,1,0,0,0,0|2,0,0]=3 332 B6R0.2 CC(N)CC(=O)O HR120488 [0,1,0,0,0,0|2,0,0]=3 333 B6R0.2 CC(N)CC(=O)O HR124863 [0,1,0,0,0,0|2,0,0]=3 334 B6R0.2 CC(O)CC(=O)[O-] HR147106 [0,1,0,0,0,0|2,0,0]=3 335 B6R0.2 CN(C)CC(=O)O HR127289 [0,1,0,0,0,0|3,0,0]=4 336 B6R0.2 CN(C)CC(=O)[O-] HR134057 [0,1,0,0,0,0|3,0,0]=4 337 B6R0.2 C[S+](C)CC(=O)[O-] HR107996 [0,1,0,0,0,0|3,0,0]=4 338 B6R0.3 C=C(CC)C(=O)O HR118672 [0,1,0,0,0,0|2,0,0]=3 339 B6R0.3 C=CN(C)C(C)=O HR127450 [0,1,0,0,0,0|1,0,2]=4 340 B6R0.3 CC(=O)\C(C)=N\O HR130047 [0,1,0,0,0,0|3,0,0]=4 341 B6R0.3 CC(CN)C(=O)O HR133030 [0,1,0,0,0,0|3,0,0]=4 342 B6R0.3 CCC(=O)C(=O)O HR128819 [0,1,0,0,0,0|2,0,0]=3 343 B6R0.3 CCC(=O)C(C)=O HR131826 [0,1,0,0,0,0|1,0,0]=2 344 B6R0.3 CCC(=O)C(C)Cl HR114937 [0,1,0,0,0,0|2,0,1]=4 345 B6R0.3 CCC(=O)N(C)C HR122269 [0,1,0,0,0,0|3,0,0]=4 346 B6R0.3 CCC(Br)C(=O)Cl HR115509 [0,1,0,0,0,0|2,0,0]=3 347 B6R0.3 CCC(Br)C(=O)O HR123595 [0,1,0,0,0,0|2,0,0]=3 348 B6R0.3 CCC(C)C(=O)Cl HR144038 [0,1,0,0,0,0|2,0,0]=3 349 B6R0.3 CCC(C)C(=O)O HR124401 [0,1,0,0,0,0|2,0,0]=3 350 B6R0.3 CCC(C)C(=O)O HR124666 [0,1,0,0,0,0|2,0,0]=3 351 B6R0.3 CCC(C)C(N)=O HR115534 [0,1,0,0,0,0|2,0,0]=3 352 B6R0.3 CCC(Cl)C(=O)O HR104193 [0,1,0,0,0,0|2,0,0]=3 353 B6R0.3 CCC(Cl)C(=O)O HR104505 [0,1,0,0,0,0|2,0,0]=3 354 B6R0.3 CCC(N)C(=O)O HR100731 [0,1,0,0,0,0|2,0,0]=3 355 B6R0.3 CCC(N)C(=O)O HR128531 [0,1,0,0,0,0|2,0,0]=3 356 B6R0.3 CCC(N)C(=O)O HR128797 [0,1,0,0,0,0|2,0,0]=3 357 B6R0.3 CCC(N)C(=O)O HR130831 [0,1,0,0,0,0|2,0,0]=3 358 B6R0.3 CCC(N)C(=O)O VOJL00901 [0,1,0,0,0,0|2,0,0]=3 359 B6R0.3 CCC(N)C(N)=O HR113889 [0,1,0,0,0,0|2,0,0]=3 360 B6R0.3 CCC(N)C(N)=O HR133280 [0,1,0,0,0,0|2,0,0]=3 361 B6R0.3 CCC(O)C(=O)O HR145745 [0,1,0,0,0,0|2,0,0]=3 362 B6R0.3 CCC(O)C(=O)O HR8265 [0,1,0,0,0,0|2,0,0]=3 363 B6R0.3 CCC(S)C(C)=O HR124234 [0,1,0,0,0,0|1,0,0]=2 364 B6R0.3 CCN(C)C(=O)Cl HR16066 [0,1,0,0,0,0|2,0,0]=3 365 B6R0.3 CNC(C)C(=O)O HR126490 [0,1,0,0,0,0|3,0,0]=4 366 B6R0.3 CNC(C)C(=O)O HR131233 [0,1,0,0,0,0|3,0,0]=4 367 B6R0.3 CNC(C)C(=O)O HR138734 [0,1,0,0,0,0|3,0,0]=4 368 B6R0.3 CNC(C)C(=O)[O-] HR145674 [0,1,0,0,0,0|3,0,0]=4 369 B6R0.3 COC(=O)C(=O)Cl FOXF01206 [0,1,0,0,0,0|3,0,0]=4 370 B6R0.3 COC(=O)C(C)=O HR131015 [0,1,0,0,0,0|2,0,0]=3 371 B6R0.3 COC(=O)C(N)=O HR115965 [0,1,0,0,0,0|3,0,0]=4 372 B6R0.3 CON(C)C(C)=O HR136259 [0,1,0,0,0,0|2,0,0]=3 373 B6R0.3 CSC(C)C(C)=O HR133684 [0,1,0,0,0,0|2,0,0]=3 374 B6R0.3 C\C=C(/C)C(=O)Cl HR120157 [0,1,0,0,0,0|2,0,1]=4 375 B6R0.3 C\C=C(/C)C(=O)O HR127692 [0,1,0,0,0,0|2,0,1]=4 376 B6R0.3 C\C=C(/C)C(=O)O HR140908 [0,1,0,0,0,0|2,0,1]=4 377 B6R0.3 NC(=O)C(Br)CBr HR125555 [0,1,0,0,0,0|3,0,0]=4 378 B6R0.3 NC(=O)C(N)CO HR115072 [0,1,0,0,0,0|3,0,0]=4 379 B6R0.3 NC(CO)C(=O)O HR10704 [0,1,0,0,0,0|3,0,0]=4 380 B6R0.3 NC(CO)C(=O)O HR11003 [0,1,0,0,0,0|3,0,0]=4 381 B6R0.3 NC(CO)C(=O)O HR136009 [0,1,0,0,0,0|3,0,0]=4 382 B6R0.3 NC(CS)C(=O)O HR125082 [0,1,0,0,0,0|3,0,0]=4 383 B6R0.3 NC(CS)C(=O)O HR125295 [0,1,0,0,0,0|3,0,0]=4 384 B6R0.3 NC(CS)C(=O)O HR125344 [0,1,0,0,0,0|3,0,0]=4 385 B6R0.3 NC(CS)C(=O)O HR129167 [0,1,0,0,0,0|3,0,0]=4 386 B6R0.3 NC(CS)C(=O)O HR129315 [0,1,0,0,0,0|3,0,0]=4 387 B6R0.3 NC(CS)C(=O)O HR129684 [0,1,0,0,0,0|3,0,0]=4 388 B6R0.3 NC(CS)C(=O)O HR135781 [0,1,0,0,0,0|3,0,0]=4 389 B6R0.3 NC(CS)C(=O)O HR136316 [0,1,0,0,0,0|3,0,0]=4 390 B6R0.3 NC(C[SeH])C(=O)O HR101211 [0,1,0,0,0,0|3,0,0]=4 391 B6R0.3 NCC(N)C(=O)O HR101827 [0,1,0,0,0,0|3,0,0]=4 392 B6R0.3 NCC(N)C(=O)O HR120379 [0,1,0,0,0,0|3,0,0]=4 393 B6R0.3 NCC(N)C(=O)O HR130162 [0,1,0,0,0,0|3,0,0]=4 394 B6R0.3 NCC(N)C(=O)O HR137268 [0,1,0,0,0,0|3,0,0]=4 395 B6R0.3 NCC(O)C(=O)O HR126827 [0,1,0,0,0,0|3,0,0]=4 396 B6R0.3 NCC(O)C(=O)O HR145757 [0,1,0,0,0,0|3,0,0]=4 397 B6R0.3 NCC(O)C(=O)O HR145758 [0,1,0,0,0,0|3,0,0]=4 398 B6R0.3 O=C(Cl)C(Br)CBr HR128333 [0,1,0,0,0,0|3,0,0]=4 399 B6R0.3 O=C(O)C(=O)CBr HR129820 [0,1,0,0,0,0|3,0,0]=4 400 B6R0.3 O=C(O)C(Br)CBr HR128067 [0,1,0,0,0,0|3,0,0]=4 401 B6R0.3 O=C(O)C(Br)CO HR121810 [0,1,0,0,0,0|3,0,0]=4 402 B6R0.3 O=C(O)C(Cl)CCl HR102337 [0,1,0,0,0,0|3,0,0]=4 403 B6R0.4 C#CCCC(=O)O HR101408 [0,1,0,0,0,0|2,0,1]=4 404 B6R0.4 C#CCOC(=O)Cl HR143650 [0,1,0,0,0,0|1,1,1]=4 405 B6R0.4 C=C(C)CNCC HR128262 [0,1,0,0,0,0|2,0,0]=3 406 B6R0.4 C=CCCC(=O)Cl HR106043 [0,1,0,0,0,0|2,0,1]=4 407 B6R0.4 C=CCCC(=O)O HR128583 [0,1,0,0,0,0|2,0,1]=4 408 B6R0.4 C=CCOC(C)=S HR100810 [0,1,0,0,0,0|0,2,1]=4 409 B6R0.4 CC(=O)CCCBr HR147487 [0,1,0,0,0,0|1,0,0]=2 410 B6R0.4 CC(=O)CCCCl HR100024 [0,1,0,0,0,0|1,0,0]=2 411 B6R0.4 CC(=O)CCCO HR136959 [0,1,0,0,0,0|1,0,0]=2 412 B6R0.4 CC(=O)NCCN HR128075 [0,1,0,0,0,0|1,0,0]=2 413 B6R0.4 CC(=O)NCCO HR100613 [0,1,0,0,0,0|1,0,0]=2 414 B6R0.4 CC(=O)OCCBr HR131354 [0,1,0,0,0,0|0,1,0]=2 415 B6R0.4 CC(Br)CCCBr HR123815 [0,1,0,0,0,0|2,0,1]=4 416 B6R0.4 CC(C)CCCBr HR133659 [0,1,0,0,0,0|2,0,1]=4 417 B6R0.4 CC(C)NCCN HR8612 [0,1,0,0,0,0|2,0,1]=4 418 B6R0.4 CC(C)NCCO HR143524 [0,1,0,0,0,0|2,0,1]=4 419 B6R0.4 CC(O)CCCO HR139458 [0,1,0,0,0,0|1,0,2]=4 420 B6R0.4 CCC#CC(C)O HR138958 [0,1,0,0,0,0|1,0,2]=4 421 B6R0.4 CCCCC(=O)Cl HR147689 [0,1,0,0,0,0|2,0,0]=3 422 B6R0.4 CCCCC(=O)[O-] HR143929 [0,1,0,0,0,0|2,0,0]=3 423 B6R0.4 CCCCC(C)N HR107080 [0,1,0,0,0,0|2,0,1]=4 424 B6R0.4 CCCCC(C)O HR113264 [0,1,0,0,0,0|1,0,2]=4 425 B6R0.4 CCCCC(C)O HR141634 [0,1,0,0,0,0|1,0,2]=4 426 B6R0.4 CCCCC(N)=O HR110039 [0,1,0,0,0,0|2,0,0]=3 427 B6R0.4 CCCCN(C)C HR124181 [0,1,0,0,0,0|3,0,0]=4 428 B6R0.4 CCCC[Sn](=O)O HR135371 [0,1,0,0,0,0|3,0,0]=4 429 B6R0.4 CCCNC(N)=S HR109524 [0,1,0,0,0,0|2,1,0]=4 430 B6R0.4 CCCSC(C)=O HR137881 [0,1,0,0,0,0|0,0,0]=1 431 B6R0.4 CCNCC(=O)O HR105131 [0,1,0,0,0,0|2,0,0]=3 432 B6R0.4 CCOCC(=O)O HR123178 [0,1,0,0,0,0|1,1,0]=3 433 B6R0.4 CN(C)CCCBr HR107607 [0,1,0,0,0,0|3,0,0]=4 434 B6R0.4 CN(C)CCCBr HR147342 [0,1,0,0,0,0|3,0,0]=4 435 B6R0.4 CN(C)CCCCl HR109407 [0,1,0,0,0,0|3,0,0]=4 436 B6R0.4 CN(C)CCCCl HR137097 [0,1,0,0,0,0|3,0,0]=4 437 B6R0.4 CN(C)CCCS HR107362 [0,1,0,0,0,0|3,0,0]=4 438 B6R0.4 CNCCC(=O)O HR100194 [0,1,0,0,0,0|2,0,0]=3 439 B6R0.4 COCCC(C)O HR129774 [0,1,0,0,0,0|1,0,2]=4 440 B6R0.4 CO\C=C\C(C)=O HR138997 [0,1,0,0,0,0|1,0,1]=3 441 B6R0.4 CSCCC(C)=O HR133952 [0,1,0,0,0,0|1,0,0]=2 442 B6R0.4 N#CCCC(=O)O HR103469 [0,1,0,0,0,0|2,0,1]=4 443 B6R0.4 N#CCNC(N)=O HR145566 [0,1,0,0,0,0|2,0,1]=4 444 B6R0.4 N=C(N)SCCN HR128755 [0,1,0,0,0,0|2,0,0]=3 445 B6R0.4 NCCCC(=O)O HR130958 [0,1,0,0,0,0|2,0,0]=3 446 B6R0.4 O=C(Cl)CCCBr HR102428 [0,1,0,0,0,0|2,0,0]=3 447 B6R0.4 O=C(Cl)CCCCl HR129406 [0,1,0,0,0,0|2,0,0]=3 448 B6R0.4 O=C(Cl)OCCCl HR132842 [0,1,0,0,0,0|1,1,0]=3 449 B6R0.4 O=C(Cl)OCCCl HR17418 [0,1,0,0,0,0|1,1,0]=3 450 B6R0.4 O=C(O)C#CCO HR112666 [0,1,0,0,0,0|2,0,1]=4 451 B6R0.4 O=C(O)CCCBr HR131673 [0,1,0,0,0,0|2,0,0]=3 452 B6R0.4 O=C(O)CCCCl HR120152 [0,1,0,0,0,0|2,0,0]=3 453 B6R0.4 O=CCCC(=O)O HR134907 [0,1,0,0,0,0|2,0,1]=4 454 B6R0.5 CCCS(=O)(=O)Cl HR129518 [0,1,0,0,0,0|3,0,0]=4 455 B6R0.5 CCCS(=O)(=O)O HR120663 [0,1,0,0,0,0|3,0,0]=4 456 B6R0.5 CCCS(N)(=O)=O HR138225 [0,1,0,0,0,0|3,0,0]=4 457 B6R0.5 CCC[Si](C)(C)Cl HR107165 [0,1,0,0,0,0|2,1,0]=4 458 B6R0.5 CCNC(C)(C)C HR119788 [0,1,0,0,0,0|2,0,1]=4 459 B6R0.5 CCOC(C)(C)C HR135207 [0,1,0,0,0,0|1,1,1]=4 460 B6R0.5 CCOP(=O)(Cl)Cl HR130973 [0,1,0,0,0,0|2,1,0]=4 461 B6R0.5 CCOS(C)(=O)=O HR131022 [0,1,0,0,0,0|1,1,0]=3 462 B6R0.5 CS(=O)(=O)CCN HR129630 [0,1,0,0,0,0|3,0,0]=4 463 B6R0.5 CS(=O)(=O)CCN HR129894 [0,1,0,0,0,0|3,0,0]=4 464 B6R0.5 CS(=O)(=O)CCO HR132598 [0,1,0,0,0,0|3,0,0]=4 465 B6R1.2 BrC1CCCC1 HR146931 [0,0,0,1,0,0|2,0,1]=4 466 B6R1.2 CC1=CC=CS1 HR131866 [0,0,0,1,0,0|1,0,2]=4 467 B6R1.2 CC1=CN=CS1 HR128769 [0,0,0,1,0,0|2,0,1]=4 468 B6R1.2 CC1=NC=CS1 HR128073 [0,0,0,1,0,0|1,0,2]=4 469 B6R1.2 CC1=NCCC1 HR128050 [0,0,0,1,0,0|2,0,0]=3 470 B6R1.2 CC1=NCCS1 HR124488 [0,0,0,1,0,0|1,0,0]=2 471 B6R1.2 CC1CCCN1 HR11117 [0,0,0,1,0,0|2,0,1]=4 472 B6R1.2 CC1CCCN1 HR136768 [0,0,0,1,0,0|2,0,1]=4 473 B6R1.2 CC1CCCN1 HR137719 [0,0,0,1,0,0|2,0,1]=4 474 B6R1.2 CC1CCCN1 HR137972 [0,0,0,1,0,0|2,0,1]=4 475 B6R1.2 CC1CCCN1 HR138237 [0,0,0,1,0,0|2,0,1]=4 476 B6R1.2 CC1CCCO1 HR10841 [0,0,0,1,0,0|1,0,2]=4 477 B6R1.2 CN1CCCC1 HR130486 [0,0,0,1,0,0|3,0,0]=4 478 B6R1.2 ClC1=CCCC1 HR140861 [0,0,0,1,0,0|2,0,0]=3 479 B6R1.2 ClC1CCCC1 HR100908 [0,0,0,1,0,0|2,0,1]=4 480 B6R1.2 NC1=NCCC1 HR112379 [0,0,0,1,0,0|2,0,0]=3 481 B6R1.2 NC1=NCCC1 HR112697 [0,0,0,1,0,0|2,0,0]=3 482 B6R1.2 NC1=NCCS1 HR138483 [0,0,0,1,0,0|2,0,0]=3 483 B6R1.2 NC1CCCC1 TRXM00901 [0,0,0,1,0,0|2,0,1]=4 484 B6R1.2 NN1CCCC1 HR127037 [0,0,0,1,0,0|3,0,0]=4 485 B6R1.2 NN1CCCC1 HR4032 [0,0,0,1,0,0|3,0,0]=4 486 B6R1.2 O=C1C=CCC1 HR136753 [0,0,0,1,0,0|1,0,1]=3 487 B6R1.2 O=C1C=CCO1 HR119486 [0,0,0,1,0,0|0,1,2]=4 488 B6R1.2 O=C1CC=CC1 HR111189 [0,0,0,1,0,0|1,0,2]=4 489 B6R1.2 O=C1CCCC1 HR147576 [0,0,0,1,0,0|1,0,0]=2 490 B6R1.2 O=C1CCCN1 HR144424 [0,0,0,1,0,0|1,0,0]=2 491 B6R1.2 O=C1CCCN1 HR147307 [0,0,0,1,0,0|1,0,0]=2 492 B6R1.2 O=C1CCNC1 HR126926 [0,0,0,1,0,0|2,0,0]=3 493 B6R1.2 O=C1CCNC1 HR127189 [0,0,0,1,0,0|2,0,0]=3 494 B6R1.2 O=C1CCNN1 HR146471 [0,0,0,1,0,0|2,0,0]=3 495 B6R1.2 O=C1CCOC1 HR109194 [0,0,0,1,0,0|2,0,0]=3 496 B6R1.2 O=C1CCSC1 HR5575 [0,0,0,1,0,0|2,0,0]=3 497 B6R1.2 O=C1CNCN1 HR114619 [0,0,0,1,0,0|2,0,0]=3 498 B6R1.2 O=C1CO[Pt]O1 HR131319 [0,0,0,1,0,0|2,1,0]=4 499 B6R1.2 O=C1NCCN1 HR124833 [0,0,0,1,0,0|2,0,0]=3 500 B6R1.2 O=C1NCCN1 HR138382 [0,0,0,1,0,0|2,0,0]=3 501 B6R1.2 O=C1NCCO1 HR134554 [0,0,0,1,0,0|1,1,0]=3 502 B6R1.2 O=C1NCCS1 HR14582 [0,0,0,1,0,0|1,0,0]=2 503 B6R1.2 O=C1OCCO1 APSA06102 [0,0,0,1,0,0|1,1,0]=3 504 B6R1.2 O=S1OCCO1 HR134061 [0,0,0,1,0,0|2,1,0]=4 505 B6R1.2 S=C1NCCN1 HR138122 [0,0,0,1,0,0|2,1,0]=4 506 B6R1.2 SC1=NCCS1 HR136402 [0,0,0,1,0,0|1,1,0]=3 507 B6R1.2 SC1CCCC1 HR134369 [0,0,0,1,0,0|1,1,1]=4 508 B6R1.3 CCCC1CO1 HR102110 [0,0,0,1,0,0|1,0,2]=4 509 B6R1.5 CC1CC(=O)C1 HR121137 [0,0,0,1,0,0|1,0,0]=2 510 B6R1.5 CC1CC(N)C1 HR108536 [0,0,0,1,0,0|2,0,1]=4 511 B6R1.5 NC1CC(=O)C1 HR145979 [0,0,0,1,0,0|2,0,0]=3 512 B6R1.5 O=C1CC(Br)C1 HR120509 [0,0,0,1,0,0|2,0,0]=3 513 B6R1.5 O=C1CC(O)C1 HR119245 [0,0,0,1,0,0|2,0,0]=3 514 B6R1.11 C=C(C)C1CO1 HR139225 [0,0,0,1,0,0|3,0,0]=4 515 B6R1.11 CC(=O)C1CC1 HR134464 [0,0,0,1,0,0|1,0,0]=2 516 B6R1.11 CC(N)C1CC1 HR146098 [0,0,0,1,0,0|2,0,1]=4 517 B6R1.11 CC(O)C1CC1 HR101733 [0,0,0,1,0,0|1,0,2]=4 518 B6R1.11 N=C(N)C1CC1 HR137003 [0,0,0,1,0,0|3,0,0]=4 519 B6R1.11 NC(=O)C1CC1 HR21401 [0,0,0,1,0,0|2,0,0]=3 520 B6R1.11 O=C(Cl)C1CC1 FISA07805 [0,0,0,1,0,0|2,0,0]=3 521 B6R1.11 O=C(O)C1CC1 HR133116 [0,0,0,1,0,0|2,0,0]=3 522 B6R1.11 O=S([O-])C1CC1 HR105027 [0,0,0,1,0,0|3,0,0]=4 523 B3R0.1 C#CC=O HR107808 [2,0,0,0,0,0|0,0,2]=4 524 B3R0.1 C=C=CC HR102099 [2,0,0,0,0,0|0,0,2]=4 525 B3R0.1 C=CCBr MIJL02702 [2,0,0,0,0,0|1,0,1]=4 526 B3R0.1 CCC=O HR147700 [2,0,0,0,0,0|0,0,0]=2 527 B3R0.1 CCCN HR147701 [2,0,0,0,0,0|1,0,1]=4 528 B3R0.1 CCNC HR124522 [2,0,0,0,0,0|1,0,0]=3 529 B3R0.1 CCNC HR137767 [2,0,0,0,0,0|1,0,0]=3 530 B3R0.1 CCNO HR134189 [2,0,0,0,0,0|1,0,1]=4 531 B3R0.1 CCON HR132609 [2,0,0,0,0,0|1,1,0]=4 532 B3R0.1 CCSC HR132879 [2,0,0,0,0,0|0,0,0]=2 533 B3R0.1 CC[Mg]Br HR122779 [2,0,0,0,0,0|2,0,0]=4 534 B3R0.1 CC[Mg]Cl HR134689 [2,0,0,0,0,0|2,0,0]=4 535 B3R0.1 CNC=O HR129999 [2,0,0,0,0,0|1,0,0]=3 536 B3R0.1 CNOC ANSA06428 [2,0,0,0,0,0|1,1,0]=4 537 B3R0.1 CNOC SACQ02002 [2,0,0,0,0,0|1,1,0]=4 538 B3R0.1 COCBr HR105342 [2,0,0,0,0,0|1,1,0]=4 539 B3R0.1 C[Se][Se]C HR124157 [2,0,0,0,0,0|1,1,0]=4 540 B3R0.1 C\C=C\C HR122646 [2,0,0,0,0,0|0,0,1]=3 541 B3R0.1 C\C=C\C HR122910 [2,0,0,0,0,0|0,0,1]=3 542 B3R0.1 NNC=O FOXF01201 [2,0,0,0,0,0|2,0,0]=4 543 B3R0.1 O=CC=O HR136593 [2,0,0,0,0,0|1,0,1]=4 544 B3R0.1 O=CCCl HR147594 [2,0,0,0,0,0|1,0,0]=3 545 B3R0.1 O=CCS HR100447 [2,0,0,0,0,0|1,0,0]=3 546 B3R0.2 BN(C)C HR122788 [2,0,0,0,0,0|2,0,0]=4 547 B3R0.2 C=[N+](C)C HR101548 [2,0,0,0,0,0|2,0,0]=4 548 B3R0.2 CC(=N)N HR126542 [2,0,0,0,0,0|2,0,0]=4 549 B3R0.2 CC(=O)Br HR147574 [2,0,0,0,0,0|1,0,0]=3 550 B3R0.2 CC(=O)Cl ANSA06435 [2,0,0,0,0,0|1,0,0]=3 551 B3R0.2 CC(=O)O HR101021 [2,0,0,0,0,0|0,1,0]=3 552 B3R0.2 CC(=O)O HR106009 [2,0,0,0,0,0|0,1,0]=3 553 B3R0.2 CC(=O)O HR144874 [2,0,0,0,0,0|0,1,0]=3 554 B3R0.2 CC(=O)[O-] HR100397 [2,0,0,0,0,0|0,1,0]=3 555 B3R0.2 CC(=O)[O-] HR100452 [2,0,0,0,0,0|0,1,0]=3 556 B3R0.2 CC(=O)[O-] HR100574 [2,0,0,0,0,0|0,1,0]=3 557 B3R0.2 CC(=O)[O-] HR101017 [2,0,0,0,0,0|0,1,0]=3 558 B3R0.2 CC(=O)[O-] HR101061 [2,0,0,0,0,0|0,1,0]=3 559 B3R0.2 CC(=O)[O-] HR101458 [2,0,0,0,0,0|0,1,0]=3 560 B3R0.2 CC(=O)[O-] HR101465 [2,0,0,0,0,0|0,1,0]=3 561 B3R0.2 CC(=O)[O-] HR101582 [2,0,0,0,0,0|0,1,0]=3 562 B3R0.2 CC(=O)[O-] HR101606 [2,0,0,0,0,0|0,1,0]=3 563 B3R0.2 CC(=O)[O-] HR101993 [2,0,0,0,0,0|0,1,0]=3 564 B3R0.2 CC(=O)[O-] HR104129 [2,0,0,0,0,0|0,1,0]=3 565 B3R0.2 CC(=O)[O-] HR104441 [2,0,0,0,0,0|0,1,0]=3 566 B3R0.2 CC(=O)[O-] HR105065 [2,0,0,0,0,0|0,1,0]=3 567 B3R0.2 CC(=O)[O-] HR107933 [2,0,0,0,0,0|0,1,0]=3 568 B3R0.2 CC(=O)[O-] HR10966 [2,0,0,0,0,0|0,1,0]=3 569 B3R0.2 CC(=O)[O-] HR118324 [2,0,0,0,0,0|0,1,0]=3 570 B3R0.2 CC(=O)[O-] HR120919 [2,0,0,0,0,0|0,1,0]=3 571 B3R0.2 CC(=O)[O-] HR122569 [2,0,0,0,0,0|0,1,0]=3 572 B3R0.2 CC(=O)[O-] HR123632 [2,0,0,0,0,0|0,1,0]=3 573 B3R0.2 CC(=O)[O-] HR123894 [2,0,0,0,0,0|0,1,0]=3 574 B3R0.2 CC(=O)[O-] HR123911 [2,0,0,0,0,0|0,1,0]=3 575 B3R0.2 CC(=O)[O-] HR124155 [2,0,0,0,0,0|0,1,0]=3 576 B3R0.2 CC(=O)[O-] HR126247 [2,0,0,0,0,0|0,1,0]=3 577 B3R0.2 CC(=O)[O-] HR127039 [2,0,0,0,0,0|0,1,0]=3 578 B3R0.2 CC(=O)[O-] HR127642 [2,0,0,0,0,0|0,1,0]=3 579 B3R0.2 CC(=O)[O-] HR128953 [2,0,0,0,0,0|0,1,0]=3 580 B3R0.2 CC(=O)[O-] HR130171 [2,0,0,0,0,0|0,1,0]=3 581 B3R0.2 CC(=O)[O-] HR131284 [2,0,0,0,0,0|0,1,0]=3 582 B3R0.2 CC(=O)[O-] HR131740 [2,0,0,0,0,0|0,1,0]=3 583 B3R0.2 CC(=O)[O-] HR132897 [2,0,0,0,0,0|0,1,0]=3 584 B3R0.2 CC(=O)[O-] HR136717 [2,0,0,0,0,0|0,1,0]=3 585 B3R0.2 CC(=O)[O-] HR137902 [2,0,0,0,0,0|0,1,0]=3 586 B3R0.2 CC(=O)[O-] HR138420 [2,0,0,0,0,0|0,1,0]=3 587 B3R0.2 CC(=O)[O-] HR138688 [2,0,0,0,0,0|0,1,0]=3 588 B3R0.2 CC(=O)[O-] HR138953 [2,0,0,0,0,0|0,1,0]=3 589 B3R0.2 CC(=O)[O-] HR141575 [2,0,0,0,0,0|0,1,0]=3 590 B3R0.2 CC(=O)[O-] HR142478 [2,0,0,0,0,0|0,1,0]=3 591 B3R0.2 CC(=O)[O-] HR144610 [2,0,0,0,0,0|0,1,0]=3 592 B3R0.2 CC(=O)[O-] HR3997 [2,0,0,0,0,0|0,1,0]=3 593 B3R0.2 CC(C)=O AUSA03806 [2,0,0,0,0,0|0,0,0]=2 594 B3R0.2 CC(C)I HR147635 [2,0,0,0,0,0|1,0,1]=4 595 B3R0.2 CC(C)N ABSA04801 [2,0,0,0,0,0|1,0,1]=4 596 B3R0.2 CC(C)[O-] HR101911 [2,0,0,0,0,0|0,0,2]=4 597 B3R0.2 CC(C)[O-] HR111090 [2,0,0,0,0,0|0,0,2]=4 598 B3R0.2 CC(C)[O-] HR123310 [2,0,0,0,0,0|0,0,2]=4 599 B3R0.2 CC(C)[O-] HR133912 [2,0,0,0,0,0|0,0,2]=4 600 B3R0.2 CC(C)[O-] HR136894 [2,0,0,0,0,0|0,0,2]=4 601 B3R0.2 CC(C)[O-] HR142627 [2,0,0,0,0,0|0,0,2]=4 602 B3R0.2 CC(C)[O-] HR147734 [2,0,0,0,0,0|0,0,2]=4 603 B3R0.2 CC(N)=O HR137897 [2,0,0,0,0,0|1,0,0]=3 604 B3R0.2 CC(N)=S FOXF01202 [2,0,0,0,0,0|1,0,1]=4 605 B3R0.2 CC([O-])=S HR123449 [2,0,0,0,0,0|0,0,2]=4 606 B3R0.2 CN(C)C HR101063 [2,0,0,0,0,0|2,0,0]=4 607 B3R0.2 CP(C)C HR109039 [2,0,0,0,0,0|2,0,0]=4 608 B3R0.2 CP(C)Cl HR114923 [2,0,0,0,0,0|2,0,0]=4 609 B3R0.2 CS(=O)O HR102459 [2,0,0,0,0,0|1,1,0]=4 610 B3R0.2 CS(C)=O HR127060 [2,0,0,0,0,0|1,0,0]=3 611 B3R0.2 C[AlH3](C)C HR147740 [2,0,0,0,0,0|2,0,0]=4 612 B3R0.2 C[Ga](C)C HR135051 [2,0,0,0,0,0|2,0,0]=4 613 B3R0.2 C[In](C)C HR135575 [2,0,0,0,0,0|2,0,0]=4 614 B3R0.2 C[P+](C)=O HR103883 [2,0,0,0,0,0|1,0,0]=3 615 B3R0.2 C[S+](C)C HR129979 [2,0,0,0,0,0|2,0,0]=4 616 B3R0.2 C[S+](C)C HR135958 [2,0,0,0,0,0|2,0,0]=4 617 B3R0.2 C[Sb](C)C HR136634 [2,0,0,0,0,0|2,0,0]=4 618 B3R0.2 C[SiH](C)C HR100161 [2,0,0,0,0,0|1,1,0]=4 619 B3R0.2 C[SiH](C)Cl HR133238 [2,0,0,0,0,0|1,1,0]=4 620 B3R0.2 C[Sn](C)=O HR100537 [2,0,0,0,0,0|1,0,0]=3 621 B3R0.2 NC(=O)Cl HR134935 [2,0,0,0,0,0|2,0,0]=4 622 B3R0.2 NC(N)=O AZXF00309 [2,0,0,0,0,0|2,0,0]=4 623 B3R0.2 NC(N)=O HR127948 [2,0,0,0,0,0|2,0,0]=4 624 B3R0.2 NC(N)=O HR147742 [2,0,0,0,0,0|2,0,0]=4 625 B3R0.2 O=C(Cl)Cl HR128987 [2,0,0,0,0,0|2,0,0]=4 626 B3R0.2 O=C(O)O HR100793 [2,0,0,0,0,0|1,1,0]=4 627 B3R0.2 O=C([O-])O HR100655 [2,0,0,0,0,0|1,1,0]=4 628 B3R0.2 O=C([O-])O HR100759 [2,0,0,0,0,0|1,1,0]=4 629 B3R0.2 O=C([O-])O HR101616 [2,0,0,0,0,0|1,1,0]=4 630 B3R0.2 O=C([O-])O HR101676 [2,0,0,0,0,0|1,1,0]=4 631 B3R0.2 O=C([O-])O HR101797 [2,0,0,0,0,0|1,1,0]=4 632 B3R0.2 O=C([O-])O HR115471 [2,0,0,0,0,0|1,1,0]=4 633 B3R0.2 O=C([O-])O HR118195 [2,0,0,0,0,0|1,1,0]=4 634 B3R0.2 O=C([O-])O HR122654 [2,0,0,0,0,0|1,1,0]=4 635 B3R0.2 O=C([O-])[O-] FEXF010 [2,0,0,0,0,0|1,1,0]=4 636 B3R0.2 O=C([O-])[O-] HR100418 [2,0,0,0,0,0|1,1,0]=4 637 B3R0.2 O=C([O-])[O-] HR100733 [2,0,0,0,0,0|1,1,0]=4 638 B3R0.2 O=C([O-])[O-] HR100927 [2,0,0,0,0,0|1,1,0]=4 639 B3R0.2 O=C([O-])[O-] HR101351 [2,0,0,0,0,0|1,1,0]=4 640 B3R0.2 O=C([O-])[O-] HR101390 [2,0,0,0,0,0|1,1,0]=4 641 B3R0.2 O=C([O-])[O-] HR101416 [2,0,0,0,0,0|1,1,0]=4 642 B3R0.2 O=C([O-])[O-] HR101644 [2,0,0,0,0,0|1,1,0]=4 643 B3R0.2 O=C([O-])[O-] HR102880 [2,0,0,0,0,0|1,1,0]=4 644 B3R0.2 O=C([O-])[O-] HR103510 [2,0,0,0,0,0|1,1,0]=4 645 B3R0.2 O=C([O-])[O-] HR108875 [2,0,0,0,0,0|1,1,0]=4 646 B3R0.2 O=C([O-])[O-] HR121817 [2,0,0,0,0,0|1,1,0]=4 647 B3R0.2 O=C([O-])[O-] HR122918 [2,0,0,0,0,0|1,1,0]=4 648 B3R0.2 O=C([O-])[O-] HR128512 [2,0,0,0,0,0|1,1,0]=4 649 B3R0.2 O=C([O-])[O-] HR128774 [2,0,0,0,0,0|1,1,0]=4 650 B3R0.2 O=C([O-])[O-] HR128951 [2,0,0,0,0,0|1,1,0]=4 651 B3R0.2 O=C([O-])[O-] HR129215 [2,0,0,0,0,0|1,1,0]=4 652 B3R0.2 O=C([O-])[O-] HR129240 [2,0,0,0,0,0|1,1,0]=4 653 B3R0.2 O=C([O-])[O-] HR129495 [2,0,0,0,0,0|1,1,0]=4 654 B3R0.2 O=C([O-])[O-] HR129753 [2,0,0,0,0,0|1,1,0]=4 655 B3R0.2 O=C([O-])[O-] HR130070 [2,0,0,0,0,0|1,1,0]=4 656 B3R0.2 O=C([O-])[O-] HR132486 [2,0,0,0,0,0|1,1,0]=4 657 B3R0.2 O=C([O-])[O-] HR132642 [2,0,0,0,0,0|1,1,0]=4 658 B3R0.2 O=C([O-])[O-] HR137979 [2,0,0,0,0,0|1,1,0]=4 659 B3R0.2 O=C([O-])[O-] HR138144 [2,0,0,0,0,0|1,1,0]=4 660 B3R0.2 O=C([O-])[O-] HR138405 [2,0,0,0,0,0|1,1,0]=4 661 B3R0.2 O=C([O-])[O-] HR145434 [2,0,0,0,0,0|1,1,0]=4 662 B3R0.2 [Li]C(C)C HR113525 [2,0,0,0,0,0|1,0,1]=4 663 B5R0.3 C#CC(=O)OC HR133415 [1,1,0,0,0,0|0,0,2]=4 664 B5R0.3 C=C(C=O)CC HR137788 [1,1,0,0,0,0|0,0,1]=3 665 B5R0.3 C=C(CBr)CBr HR116182 [1,1,0,0,0,0|2,0,0]=4 666 B5R0.3 C=C(CO)CO HR129279 [1,1,0,0,0,0|2,0,0]=4 667 B5R0.3 C=CC(=O)CBr HR146340 [1,1,0,0,0,0|0,0,2]=4 668 B5R0.3 C=CC(=O)CBr HR146362 [1,1,0,0,0,0|0,0,2]=4 669 B5R0.3 C=CC(=O)OC LECQ00902 [1,1,0,0,0,0|0,0,2]=4 670 B5R0.3 CCC(=N)NO HR117947 [1,1,0,0,0,0|1,0,1]=4 671 B5R0.3 CCC(=O)CBr HR101618 [1,1,0,0,0,0|0,0,0]=2 672 B5R0.3 CCC(=O)NC HR138361 [1,1,0,0,0,0|0,0,0]=2 673 B5R0.3 CCC(=S)OC HR134757 [1,1,0,0,0,0|0,1,0]=3 674 B5R0.3 CCC(Br)CBr HR126943 [1,1,0,0,0,0|1,0,1]=4 675 B5R0.3 CCC(Br)CC HR126412 [1,1,0,0,0,0|1,0,1]=4 676 B5R0.3 CCC(C)C=O HR108130 [1,1,0,0,0,0|0,0,1]=3 677 B5R0.3 CCC(C)CBr HR126522 [1,1,0,0,0,0|1,0,1]=4 678 B5R0.3 CCC(C)CCl HR111310 [1,1,0,0,0,0|1,0,1]=4 679 B5R0.3 CCC(C)CCl HR129974 [1,1,0,0,0,0|1,0,1]=4 680 B5R0.3 CCC(C)CO HR133183 [1,1,0,0,0,0|0,0,2]=4 681 B5R0.3 CCC(C)[Mg]Br HR106081 [1,1,0,0,0,0|1,0,1]=4 682 B5R0.3 CCC(C)[Mg]Cl HR112582 [1,1,0,0,0,0|1,0,1]=4 683 B5R0.3 CCC(N)CC HR124629 [1,1,0,0,0,0|1,0,1]=4 684 B5R0.3 CCC(N)CO AUSA03801 [1,1,0,0,0,0|1,0,1]=4 685 B5R0.3 CCC(N)CO HR129875 [1,1,0,0,0,0|1,0,1]=4 686 B5R0.3 CCC(N)CO HR145232 [1,1,0,0,0,0|1,0,1]=4 687 B5R0.3 CCC(O)CC HR127807 [1,1,0,0,0,0|0,0,2]=4 688 B5R0.3 CCC(O)CN HR103501 [1,1,0,0,0,0|0,0,2]=4 689 B5R0.3 CCC(O)CO HR101364 [1,1,0,0,0,0|0,0,2]=4 690 B5R0.3 CCC(O)CO HR108310 [1,1,0,0,0,0|0,0,2]=4 691 B5R0.3 CCC(O)CO HR112215 [1,1,0,0,0,0|0,0,2]=4 692 B5R0.3 CCC(S)CC HR120847 [1,1,0,0,0,0|0,1,1]=4 693 B5R0.3 CCC(S)CS HR131558 [1,1,0,0,0,0|0,1,1]=4 694 B5R0.3 CCN(C)CC HR114271 [1,1,0,0,0,0|2,0,0]=4 695 B5R0.3 CCN(O)CC HR136115 [1,1,0,0,0,0|1,0,1]=4 696 B5R0.3 CCS(=O)CC HR101279 [1,1,0,0,0,0|1,0,0]=3 697 B5R0.3 CC[AlH3](I)CC HR145180 [1,1,0,0,0,0|2,0,0]=4 698 B5R0.3 CNC(=N)SC HR125414 [1,1,0,0,0,0|1,0,0]=3 699 B5R0.3 CNC(=O)CBr HR108109 [1,1,0,0,0,0|1,0,0]=3 700 B5R0.3 CNC(=O)NC HR124408 [1,1,0,0,0,0|1,0,0]=3 701 B5R0.3 CNC(=S)NC HR101565 [1,1,0,0,0,0|1,1,0]=4 702 B5R0.3 CNC(=S)S[K] HR145668 [1,1,0,0,0,0|1,1,0]=4 703 B5R0.3 CNC(=S)S[Na] HR138450 [1,1,0,0,0,0|1,1,0]=4 704 B5R0.3 COC(=N)OC HR100139 [1,1,0,0,0,0|1,1,0]=4 705 B5R0.3 COC(=O)C=O HR131069 [1,1,0,0,0,0|0,1,1]=4 706 B5R0.3 COC(=O)CBr HR147010 [1,1,0,0,0,0|0,1,0]=3 707 B5R0.3 COC(=O)CCl HR147665 [1,1,0,0,0,0|0,1,0]=3 708 B5R0.3 COC(=O)CF HR147087 [1,1,0,0,0,0|0,1,0]=3 709 B5R0.3 COC(=O)CN VAJB00904 [1,1,0,0,0,0|0,1,0]=3 710 B5R0.3 COC(=O)CO HR136159 [1,1,0,0,0,0|0,1,0]=3 711 B5R0.3 COC(=O)CS HR136418 [1,1,0,0,0,0|0,1,0]=3 712 B5R0.3 COC(=O)NN HR17404 [1,1,0,0,0,0|1,1,0]=4 713 B5R0.3 COS(=O)OC HR128367 [1,1,0,0,0,0|1,1,0]=4 714 B5R0.3 CO[PH](=O)OC HR135600 [1,1,0,0,0,0|1,1,0]=4 715 B5R0.3 CSC(=S)NN HR120153 [1,1,0,0,0,0|1,1,0]=4 716 B5R0.3 CS\C(C)=N\O HR131867 [1,1,0,0,0,0|0,0,1]=3 717 B5R0.3 C\C=C(\C)C=O HR112466 [1,1,0,0,0,0|0,0,1]=3 718 B5R0.3 C\C=C(\C)C=O HR139746 [1,1,0,0,0,0|0,0,1]=3 719 B5R0.3 C\C=C(\C)[Mg]Br HR118108 [1,1,0,0,0,0|1,0,1]=4 720 B5R0.3 O=C(CBr)CBr HR100914 [1,1,0,0,0,0|1,0,0]=3 721 B5R0.3 O=C(CCl)CCl HR147139 [1,1,0,0,0,0|1,0,0]=3 722 B5R0.3 O=C(CO)CO HR136414 [1,1,0,0,0,0|1,0,0]=3 723 B5R0.4 CCC(C)(C)N HR144592 [1,1,0,0,0,0|1,0,1]=4 724 B5R0.4 CCC(C)(C)[O-] HR107494 [1,1,0,0,0,0|0,0,2]=4 725 B5R0.4 CCC(C)(C)[O-] HR122136 [1,1,0,0,0,0|0,0,2]=4 726 B5R0.4 CCS(=O)(=O)Cl HR132858 [1,1,0,0,0,0|2,0,0]=4 727 B5R0.4 CCS(=O)(=O)O HR132580 [1,1,0,0,0,0|2,0,0]=4 728 B5R0.4 CCS(C)(=O)=O HR107675 [1,1,0,0,0,0|1,0,0]=3 729 B5R0.4 CCS(N)(=O)=O HR132309 [1,1,0,0,0,0|2,0,0]=4 730 B5R0.4 CC[N+](C)(C)C HR115053 [1,1,0,0,0,0|2,0,0]=4 731 B5R0.4 CC[N+](C)(C)[O-] HR119146 [1,1,0,0,0,0|1,0,1]=4 732 B5R0.4 CC[Si](C)(C)C HR134601 [1,1,0,0,0,0|1,1,0]=4 733 B5R0.4 CC[Si](C)(C)Cl HR101347 [1,1,0,0,0,0|1,1,0]=4 734 B5R0.4 CC[Si](C)(Cl)Cl HR145616 [1,1,0,0,0,0|1,1,0]=4 735 B5R0.4 CNS(C)(=O)=O HR23217 [1,1,0,0,0,0|2,0,0]=4 736 B5R0.4 COS(C)(=O)=O HR131282 [1,1,0,0,0,0|1,1,0]=4 737 B5R0.4 CSS(C)(=O)=O HR111436 [1,1,0,0,0,0|1,0,0]=3 738 B5R0.5 C=C(C)C(=O)Cl HR138689 [1,1,0,0,0,0|1,0,1]=4 739 B5R0.5 C=C(C)C(=O)[O-] HR113778 [1,1,0,0,0,0|1,0,1]=4 740 B5R0.5 C=C(C)C(=O)[O-] HR114122 [1,1,0,0,0,0|1,0,1]=4 741 B5R0.5 C=C(C)C(=O)[O-] HR121033 [1,1,0,0,0,0|1,0,1]=4 742 B5R0.5 C=C(C)C(=O)[O-] HR122305 [1,1,0,0,0,0|1,0,1]=4 743 B5R0.5 C=C(C)C(=O)[O-] HR125115 [1,1,0,0,0,0|1,0,1]=4 744 B5R0.5 C=C(C)C(=O)[O-] HR135365 [1,1,0,0,0,0|1,0,1]=4 745 B5R0.5 C=C(C)C(N)=O HR124465 [1,1,0,0,0,0|1,0,1]=4 746 B5R0.5 CC(=O)C(=O)O HR137803 [1,1,0,0,0,0|1,0,1]=4 747 B5R0.5 CC(=O)C(=O)[O-] HR112958 [1,1,0,0,0,0|1,0,1]=4 748 B5R0.5 CC(=O)C(=O)[O-] HR125137 [1,1,0,0,0,0|1,0,1]=4 749 B5R0.5 CC(=O)C(=O)[O-] HR130480 [1,1,0,0,0,0|1,0,1]=4 750 B5R0.5 CC(=O)C(=O)[O-] HR132795 [1,1,0,0,0,0|1,0,1]=4 751 B5R0.5 CC(=O)C(C)=O HR147207 [1,1,0,0,0,0|0,0,1]=3 752 B5R0.5 CC(=O)C(C)Br HR130439 [1,1,0,0,0,0|0,0,0]=2 753 B5R0.5 CC(=O)C(C)C HR147367 [1,1,0,0,0,0|0,0,0]=2 754 B5R0.5 CC(=O)C(C)Cl HR132014 [1,1,0,0,0,0|0,0,0]=2 755 B5R0.5 CC(=O)C(C)S HR123296 [1,1,0,0,0,0|0,0,0]=2 756 B5R0.5 CC(=O)N(C)C HR128416 [1,1,0,0,0,0|1,0,0]=3 757 B5R0.5 CC(Br)C(=O)Cl HR136180 [1,1,0,0,0,0|1,0,0]=3 758 B5R0.5 CC(Br)C(=O)O HR118834 [1,1,0,0,0,0|1,0,0]=3 759 B5R0.5 CC(Br)C(=O)O HR119145 [1,1,0,0,0,0|1,0,0]=3 760 B5R0.5 CC(C)C(=N)N HR121738 [1,1,0,0,0,0|2,0,0]=4 761 B5R0.5 CC(C)C(=O)Cl DAJL01406 [1,1,0,0,0,0|1,0,0]=3 762 B5R0.5 CC(C)C(C)N HR121679 [1,1,0,0,0,0|1,0,1]=4 763 B5R0.5 CC(C)C(C)S HR123979 [1,1,0,0,0,0|0,1,1]=4 764 B5R0.5 CC(C)C(N)=O HR130010 [1,1,0,0,0,0|1,0,0]=3 765 B5R0.5 CC(C)C(N)=S HR103461 [1,1,0,0,0,0|1,1,0]=4 766 B5R0.5 CC(C)N(C)C HR142079 [1,1,0,0,0,0|2,0,0]=4 767 B5R0.5 CC(Cl)C(=O)Cl HR127551 [1,1,0,0,0,0|1,0,0]=3 768 B5R0.5 CC(Cl)C(=O)O HR133703 [1,1,0,0,0,0|1,0,0]=3 769 B5R0.5 CC(Cl)C(=O)O HR5746 [1,1,0,0,0,0|1,0,0]=3 770 B5R0.5 CC(F)C(=O)O HR125319 [1,1,0,0,0,0|1,0,0]=3 771 B5R0.5 CC(N)C(=O)O HR127064 [1,1,0,0,0,0|1,0,0]=3 772 B5R0.5 CC(N)C(=O)O HR128842 [1,1,0,0,0,0|1,0,0]=3 773 B5R0.5 CC(N)C(=O)O HR135609 [1,1,0,0,0,0|1,0,0]=3 774 B5R0.5 CC(N)C(=O)O HR143449 [1,1,0,0,0,0|1,0,0]=3 775 B5R0.5 CC(N)C(C)O HR115270 [1,1,0,0,0,0|0,0,2]=4 776 B5R0.5 CC(N)C(N)=O HR121426 [1,1,0,0,0,0|1,0,0]=3 777 B5R0.5 CC(N)C(N)=O RAXM01501 [1,1,0,0,0,0|1,0,0]=3 778 B5R0.5 CC(N)[13C](=O)O HR144974 [1,1,0,0,0,0|1,0,0]=3 779 B5R0.5 CC(O)C(=O)O HR122637 [1,1,0,0,0,0|1,0,0]=3 780 B5R0.5 CC(O)C(=O)O HR124397 [1,1,0,0,0,0|1,0,0]=3 781 B5R0.5 CC(O)C(=O)O HR137557 [1,1,0,0,0,0|1,0,0]=3 782 B5R0.5 CC(O)C(=O)[O-] HR101208 [1,1,0,0,0,0|1,0,0]=3 783 B5R0.5 CC(O)C(=O)[O-] HR124337 [1,1,0,0,0,0|1,0,0]=3 784 B5R0.5 CC(O)C(=O)[O-] HR125547 [1,1,0,0,0,0|1,0,0]=3 785 B5R0.5 CC(O)C(=O)[O-] HR126089 [1,1,0,0,0,0|1,0,0]=3 786 B5R0.5 CC(O)C(=O)[O-] HR127008 [1,1,0,0,0,0|1,0,0]=3 787 B5R0.5 CC(O)C(=O)[O-] HR127541 [1,1,0,0,0,0|1,0,0]=3 788 B5R0.5 CC(O)C(=O)[O-] HR127693 [1,1,0,0,0,0|1,0,0]=3 789 B5R0.5 CC(O)C(=O)[O-] HR132263 [1,1,0,0,0,0|1,0,0]=3 790 B5R0.5 CC(O)C(C)O HR128860 [1,1,0,0,0,0|0,0,2]=4 791 B5R0.5 CC(O)C(C)O HR129128 [1,1,0,0,0,0|0,0,2]=4 792 B5R0.5 CC(O)C(C)O HR130175 [1,1,0,0,0,0|0,0,2]=4 793 B5R0.5 CC(O)C(N)=O HR103895 [1,1,0,0,0,0|1,0,0]=3 794 B5R0.5 CC(O)C(N)=O HR125386 [1,1,0,0,0,0|1,0,0]=3 795 B5R0.5 CC(S)C(C)S HR129973 [1,1,0,0,0,0|0,1,1]=4 796 B5R0.5 CN(C)C(N)=O HR126485 [1,1,0,0,0,0|2,0,0]=4 797 B5R0.5 C[13CH](N)C(=O)O HR143521 [1,1,0,0,0,0|1,0,0]=3 798 B5R0.5 NC(=O)C(Cl)Cl HR126778 [1,1,0,0,0,0|2,0,0]=4 799 B5R0.5 O=C(Cl)C(F)F HR103865 [1,1,0,0,0,0|2,0,0]=4 800 B5R0.5 O=C(O)C(F)F HR125822 [1,1,0,0,0,0|2,0,0]=4 801 B5R0.5 O=C([O-])C(Cl)Cl HR128840 [1,1,0,0,0,0|2,0,0]=4 802 B5R0.5 O=C([O-])C(F)F HR100204 [1,1,0,0,0,0|2,0,0]=4 803 B5R0.5 [13CH3]C(N)C(=O)O HR141384 [1,1,0,0,0,0|1,0,0]=3 804 B5R0.5 [13CH3]C(N)C(=O)O HR144202 [1,1,0,0,0,0|1,0,0]=3 805 B5R0.2 BrC\C=C\CBr HR122767 [1,1,0,0,0,0|2,0,0]=4 806 B5R0.2 C=CCCCBr HR138516 [1,1,0,0,0,0|1,0,1]=4 807 B5R0.2 C=CCCCN HR114551 [1,1,0,0,0,0|1,0,1]=4 808 B5R0.2 C=CCCCO HR127694 [1,1,0,0,0,0|1,0,1]=4 809 B5R0.2 C=CCSSC HR124486 [1,1,0,0,0,0|1,0,1]=4 810 B5R0.2 C=COCCC HR122922 [1,1,0,0,0,0|0,1,1]=4 811 B5R0.2 C=COCCO HR122391 [1,1,0,0,0,0|0,1,1]=4 812 B5R0.2 CCC#CCO HR139189 [1,1,0,0,0,0|1,0,1]=4 813 B5R0.2 CCCCSC HR128739 [1,1,0,0,0,0|1,0,1]=4 814 B5R0.2 CCCNCC HR129859 [1,1,0,0,0,0|1,0,1]=4 815 B5R0.2 CCCSC#N HR138481 [1,1,0,0,0,0|1,0,1]=4 816 B5R0.2 CCCSCC HR131098 [1,1,0,0,0,0|0,0,1]=3 817 B5R0.2 CCCSSC HR127587 [1,1,0,0,0,0|1,0,0]=3 818 B5R0.2 CCNCCN HR124923 [1,1,0,0,0,0|1,0,1]=4 819 B5R0.2 CCNCCO HR131326 [1,1,0,0,0,0|1,0,1]=4 820 B5R0.2 CCOCCBr HR147270 [1,1,0,0,0,0|0,1,1]=4 821 B5R0.2 CCOCCCl HR125621 [1,1,0,0,0,0|0,1,1]=4 822 B5R0.2 CCOCCN HR133098 [1,1,0,0,0,0|0,1,1]=4 823 B5R0.2 CCOCCN HR141597 [1,1,0,0,0,0|0,1,1]=4 824 B5R0.2 CCO\C=C\Br ATXF02514 [1,1,0,0,0,0|0,1,1]=4 825 B5R0.2 CCSCCCl HR138028 [1,1,0,0,0,0|0,0,1]=3 826 B5R0.2 CCSSCC HR137639 [1,1,0,0,0,0|0,0,1]=3 827 B5R0.2 CC[Se][Se]CC HR102291 [1,1,0,0,0,0|0,1,1]=4 828 B5R0.2 CC\C=C\C=O HR111713 [1,1,0,0,0,0|1,0,0]=3 829 B5R0.2 CC\C=C\C=O HR139459 [1,1,0,0,0,0|1,0,0]=3 830 B5R0.2 CC\C=C\CBr HR102032 [1,1,0,0,0,0|1,0,0]=3 831 B5R0.2 CNCCCN HR127543 [1,1,0,0,0,0|2,0,0]=4 832 B5R0.2 CNCCNC HR134870 [1,1,0,0,0,0|2,0,0]=4 833 B5R0.2 COCCCBr HR11240 [1,1,0,0,0,0|2,0,0]=4 834 B5R0.2 COCCCCl HR128474 [1,1,0,0,0,0|2,0,0]=4 835 B5R0.2 COCCCN HR131273 [1,1,0,0,0,0|2,0,0]=4 836 B5R0.2 COCCCO HR1936 [1,1,0,0,0,0|2,0,0]=4 837 B5R0.2 COCCOC HR147135 [1,1,0,0,0,0|2,0,0]=4 838 B5R0.2 CSCCCCl HR118093 [1,1,0,0,0,0|2,0,0]=4 839 B5R0.2 CSSSSC HR128981 [1,1,0,0,0,0|2,0,0]=4 840 B5R0.2 C\C=C\CCC HR121014 [1,1,0,0,0,0|1,0,0]=3 841 B5R0.2 C\C=C\OCC HR128979 [1,1,0,0,0,0|0,1,0]=3 842 B5R0.2 ClC\C=C\CCl HR122427 [1,1,0,0,0,0|2,0,0]=4 843 B5R0.2 ClC\C=C\CCl HR131704 [1,1,0,0,0,0|2,0,0]=4 844 B5R0.2 N#CCCC=O HR111731 [1,1,0,0,0,0|1,0,1]=4 845 B5R0.2 NC\C=C\CO HR108338 [1,1,0,0,0,0|2,0,0]=4 846 B5R0.2 O=C=NCCCl HR134295 [1,1,0,0,0,0|1,0,1]=4 847 B5R0.2 O=CCCC=O HR100601 [1,1,0,0,0,0|1,0,1]=4 848 B5R0.2 O=COCCO HR145529 [1,1,0,0,0,0|0,1,0]=3 849 B5R0.2 OC\C=C\CCl HR102138 [1,1,0,0,0,0|2,0,0]=4 850 B5R0.2 OC\C=C\CO HR109258 [1,1,0,0,0,0|2,0,0]=4 851 B5R0.2 OC\C=C\CO HR127834 [1,1,0,0,0,0|2,0,0]=4 852 B5R0.2 OC\C=C\CO HR134158 [1,1,0,0,0,0|2,0,0]=4 853 B7R0.2 C=CC(=O)NC(C)C HR138308 [0,2,0,0,0,0|1,0,1]=4 854 B7R0.2 CC(=O)NC(=O)CN HR100710 [0,2,0,0,0,0|1,0,1]=4 855 B7R0.2 CC(=O)OC(Br)CBr HR133286 [0,2,0,0,0,0|0,1,0]=3 856 B7R0.2 CC(=O)OC(Cl)CCl HR133017 [0,2,0,0,0,0|0,1,0]=3 857 B7R0.2 CC(=O)\C=C(\C)O[Ir] HR109248 [0,2,0,0,0,0|1,0,1]=4 858 B7R0.2 CC(=O)\C=C(\C)O[Rh] HR123460 [0,2,0,0,0,0|1,0,1]=4 859 B7R0.2 CC(=O)\C=C(\C)O[Rh] HR126751 [0,2,0,0,0,0|1,0,1]=4 860 B7R0.2 CC(C)NC(=O)CBr HR117083 [0,2,0,0,0,0|1,0,0]=3 861 B7R0.2 CC(C)OC(=O)CN HR105079 [0,2,0,0,0,0|0,1,0]=3 862 B7R0.2 CC(C)OC(=O)CN HR117760 [0,2,0,0,0,0|0,1,0]=3 863 B7R0.2 CC(C)OC(=O)CO HR105901 [0,2,0,0,0,0|0,1,0]=3 864 B7R0.2 CCC(=O)CC(C)=O HR133940 [0,2,0,0,0,0|1,0,0]=3 865 B7R0.2 CCC(C)CC(=O)O HR11273 [0,2,0,0,0,0|2,0,0]=4 866 B7R0.2 CCC(C)CC(=O)O HR135865 [0,2,0,0,0,0|2,0,0]=4 867 B7R0.2 CCC(C)NC(N)=O HR114250 [0,2,0,0,0,0|2,0,0]=4 868 B7R0.2 CCC(C)OC(=O)[O-] HR144165 [0,2,0,0,0,0|1,1,0]=4 869 B7R0.2 CCC(N)CC(=O)O HR114631 [0,2,0,0,0,0|2,0,0]=4 870 B7R0.2 CCC(N)CC(=O)O HR143295 [0,2,0,0,0,0|2,0,0]=4 871 B7R0.2 CCC(N)CC(=O)O HR147022 [0,2,0,0,0,0|2,0,0]=4 872 B7R0.2 CNC(=O)CC(C)=O HR100837 [0,2,0,0,0,0|1,0,1]=4 873 B7R0.2 COC(=O)C=C(C)C HR125078 [0,2,0,0,0,0|1,0,1]=4 874 B7R0.2 COC(=O)CC(C)=O TECQ03701 [0,2,0,0,0,0|1,0,1]=4 875 B7R0.2 COC(=O)CC(C)N HR119861 [0,2,0,0,0,0|1,0,0]=3 876 B7R0.2 COC(=O)CC(C)N HR143484 [0,2,0,0,0,0|1,0,0]=3 877 B7R0.2 COC(=O)CC(C)O HR138815 [0,2,0,0,0,0|1,0,0]=3 878 B7R0.2 COC(=O)\C=C(/C)N HR138334 [0,2,0,0,0,0|1,0,1]=4 879 B7R0.2 CSC(=O)CC(C)C HR122226 [0,2,0,0,0,0|1,0,0]=3 880 B7R0.2 C\C(CC(C)C)=N/O HR128219 [0,2,0,0,0,0|1,0,1]=4 881 B7R0.2 NCC(O)CC(=O)O HR137304 [0,2,0,0,0,0|2,0,0]=4 882 B7R0.2 NCC(O)CC(=O)[O-] HR128768 [0,2,0,0,0,0|2,0,0]=4 883 B7R0.3 C=CC(=O)OCCC HR144889 [0,2,0,0,0,0|0,1,1]=4 884 B7R0.3 C=CC(=O)OCCO HR125757 [0,2,0,0,0,0|0,1,1]=4 885 B7R0.3 C=CCOC(=O)CBr HR103697 [0,2,0,0,0,0|0,1,1]=4 886 B7R0.3 C=CCOC(=O)CCl HR132199 [0,2,0,0,0,0|0,1,1]=4 887 B7R0.3 CCCCC(=O)NN HR113250 [0,2,0,0,0,0|2,0,0]=4 888 B7R0.3 CCCC\C(C)=N/O HR101112 [0,2,0,0,0,0|1,0,1]=4 889 B7R0.3 CCCOC(=O)CC HR127273 [0,2,0,0,0,0|0,1,0]=3 890 B7R0.3 COC(=O)CCC#N HR113384 [0,2,0,0,0,0|1,0,1]=4 891 B7R0.3 COC(=O)CCC=O HR116651 [0,2,0,0,0,0|1,0,1]=4 892 B7R0.3 COC(=O)CCCBr HR134912 [0,2,0,0,0,0|1,0,0]=3 893 B7R0.3 COC(=O)CCCCl HR131361 [0,2,0,0,0,0|1,0,0]=3 894 B7R0.3 COC(=O)CCCN HR105959 [0,2,0,0,0,0|1,0,0]=3 895 B7R0.3 COC(=O)\C=C\CBr HR131230 [0,2,0,0,0,0|1,0,1]=4 896 B7R0.3 COCCC(=O)OC HR130750 [0,2,0,0,0,0|1,0,0]=3 897 B7R0.3 CO\C=C\C(=O)OC HR100409 [0,2,0,0,0,0|1,0,1]=4 898 B7R0.3 CO\C=C\C(=O)OC HR123737 [0,2,0,0,0,0|1,0,1]=4 899 B7R0.3 C\C=C\CC(=O)OC HR127455 [0,2,0,0,0,0|1,0,1]=4 900 B7R0.5 C=C(C)C(=O)NCO HR114687 [0,2,0,0,0,0|2,0,0]=4 901 B7R0.5 CC(C)C(=O)OCCl HR116048 [0,2,0,0,0,0|1,1,0]=4 902 B7R0.5 CCCC(=O)C(=O)O HR138596 [0,2,0,0,0,0|1,0,1]=4 903 B7R0.5 CCCC(=O)C(C)=O HR139186 [0,2,0,0,0,0|1,0,0]=3 904 B7R0.5 CCCC(=O)C(C)C HR130078 [0,2,0,0,0,0|1,0,0]=3 905 B7R0.5 CCCC(Br)C(=O)Cl HR140278 [0,2,0,0,0,0|2,0,0]=4 906 B7R0.5 CCCC(Br)C(=O)O HR114924 [0,2,0,0,0,0|2,0,0]=4 907 B7R0.5 CCCC(C)C(=O)O HR131664 [0,2,0,0,0,0|1,0,1]=4 908 B7R0.5 CCCC(N)C(=O)O HR122649 [0,2,0,0,0,0|2,0,0]=4 909 B7R0.5 CCCC(N)C(=O)O HR136723 [0,2,0,0,0,0|2,0,0]=4 910 B7R0.5 CCCC(N)C(=O)O HR138486 [0,2,0,0,0,0|2,0,0]=4 911 B7R0.5 CCOC(=O)C(=O)Cl HR138954 [0,2,0,0,0,0|0,1,1]=4 912 B7R0.5 CCOC(=O)C(C)=O HR135005 [0,2,0,0,0,0|0,1,0]=3 913 B7R0.5 CCOC(=O)C(C)Br HR123330 [0,2,0,0,0,0|0,1,0]=3 914 B7R0.5 CCOC(=O)C(C)C BEJL02302 [0,2,0,0,0,0|0,1,0]=3 915 B7R0.5 CCOC(=O)C(C)F HR137458 [0,2,0,0,0,0|0,1,0]=3 916 B7R0.5 CCOC(=O)C(C)N HR113453 [0,2,0,0,0,0|0,1,0]=3 917 B7R0.5 CCOC(=O)C(C)N HR123317 [0,2,0,0,0,0|0,1,0]=3 918 B7R0.5 CCOC(=O)C(C)N HR129365 [0,2,0,0,0,0|0,1,0]=3 919 B7R0.5 CCOC(=O)C(C)O HR100136 [0,2,0,0,0,0|0,1,0]=3 920 B7R0.5 CCOC(=O)C(C)O HR15558 [0,2,0,0,0,0|0,1,0]=3 921 B7R0.5 CCOC(=O)C(C)S HR126591 [0,2,0,0,0,0|0,1,0]=3 922 B7R0.5 CCOC(=O)C(F)Br HR137876 [0,2,0,0,0,0|0,1,0]=3 923 B7R0.5 CCOC(=O)C(F)Cl HR115827 [0,2,0,0,0,0|0,1,0]=3 924 B7R0.5 CCOC(=O)C(F)F HR123633 [0,2,0,0,0,0|0,1,0]=3 925 B7R0.5 CCOC(=S)C(N)=O HR125905 [0,2,0,0,0,0|1,1,0]=4 926 B7R0.5 CC\C=C(\C)C(=O)O HR131305 [0,2,0,0,0,0|1,0,0]=3 927 B7R0.5 CC\C=C(\C)C(=O)O HR138938 [0,2,0,0,0,0|1,0,0]=3 928 B7R0.5 CNCC(N)C(=O)O HR146211 [0,2,0,0,0,0|2,0,0]=4 929 B7R0.5 COCC(N)C(=O)O HR108882 [0,2,0,0,0,0|2,0,0]=4 930 B7R0.5 COCC(N)C(=O)O HR109701 [0,2,0,0,0,0|2,0,0]=4 931 B7R0.5 COCC(N)C(=O)O HR110015 [0,2,0,0,0,0|2,0,0]=4 932 B7R0.5 COCC(N)C(=O)O HR115078 [0,2,0,0,0,0|2,0,0]=4 933 B7R0.5 COCC(N)C(=O)O HR115700 [0,2,0,0,0,0|2,0,0]=4 934 B7R0.5 CSCC(N)C(=O)O HR134174 [0,2,0,0,0,0|2,0,0]=4 935 B7R0.5 NC(CCBr)C(=O)O HR102483 [0,2,0,0,0,0|2,0,0]=4 936 B7R0.5 NC(CCO)C(=O)O HR122160 [0,2,0,0,0,0|2,0,0]=4 937 B7R0.5 NC(CCO)C(=O)O HR127129 [0,2,0,0,0,0|2,0,0]=4 938 B7R0.5 NC(CCO)C(=O)O HR129910 [0,2,0,0,0,0|2,0,0]=4 939 B7R0.5 NC(CCS)C(=O)O HR100636 [0,2,0,0,0,0|2,0,0]=4 940 B7R0.5 NC(CCS)C(=O)O HR137923 [0,2,0,0,0,0|2,0,0]=4 941 B7R0.5 NCCC(N)C(=O)O HR112825 [0,2,0,0,0,0|2,0,0]=4 942 B7R0.5 NCCC(N)C(=O)O HR14752 [0,2,0,0,0,0|2,0,0]=4 943 B7R0.5 O=C(Cl)C(Br)CCBr HR119984 [0,2,0,0,0,0|2,0,0]=4 944 B7R0.5 O=C(O)C(Br)CCBr HR138979 [0,2,0,0,0,0|2,0,0]=4 945 B7R0.7 C=C(OCC)OCC IVSA07713 [0,2,0,0,0,0|1,1,0]=4 946 B7R0.7 C=C=CC(=O)OCC HR108306 [0,2,0,0,0,0|0,1,1]=4 947 B7R0.7 CC#CC(=O)OCC HR127977 [0,2,0,0,0,0|0,1,0]=3 948 B7R0.7 CCCC(=O)OCCl HR123267 [0,2,0,0,0,0|1,0,0]=3 949 B7R0.7 CCCC(=S)OCC HR130469 [0,2,0,0,0,0|0,2,0]=4 950 B7R0.7 CCCC(=S)OCC HR143387 [0,2,0,0,0,0|0,2,0]=4 951 B7R0.7 CCNC(=O)NCC HR128759 [0,2,0,0,0,0|1,0,0]=3 952 B7R0.7 CCNC(=S)NCC HR122808 [0,2,0,0,0,0|1,1,0]=4 953 B7R0.7 CCOC(=O)CCBr HR132284 [0,2,0,0,0,0|0,1,0]=3 954 B7R0.7 CCOC(=O)CCCl HR147079 [0,2,0,0,0,0|0,1,0]=3 955 B7R0.7 CCOC(=O)CCI HR101944 [0,2,0,0,0,0|0,1,0]=3 956 B7R0.7 CCOC(=O)CCN HR129110 [0,2,0,0,0,0|0,1,0]=3 957 B7R0.7 CCOC(=O)CCS HR135162 [0,2,0,0,0,0|0,1,0]=3 958 B7R0.7 CCOC(=O)CNC HR138266 [0,2,0,0,0,0|0,1,0]=3 959 B7R0.7 CCOC(=O)CNN HR128003 [0,2,0,0,0,0|0,1,0]=3 960 B7R0.7 CCOC(=O)COC HR123443 [0,2,0,0,0,0|0,1,0]=3 961 B7R0.7 CCOC(=O)N=C=S FISA07802 [0,2,0,0,0,0|0,1,1]=4 962 B7R0.7 CCOC(=O)OCCl HR138904 [0,2,0,0,0,0|0,1,0]=3 963 B7R0.7 CCOC(=O)\C=C\I HR11670 [0,2,0,0,0,0|0,1,1]=4 964 B7R0.7 CCOS(=O)OCC HR101466 [0,2,0,0,0,0|1,1,0]=4 965 B7R0.7 CCO[PH](=O)OCC HR109664 [0,2,0,0,0,0|1,1,0]=4 966 B7R0.7 CCO\C(C)=N/C#N HR139602 [0,2,0,0,0,0|1,1,0]=4 967 B7R0.7 O=C(CCCl)CCCl HR2482 [0,2,0,0,0,0|2,0,0]=4 968 B7R0.7 O=C(NCO)NCO HR129137 [0,2,0,0,0,0|2,0,0]=4 969 B7R0.7 [C-]#[N+]CC(=O)OCC HR146955 [0,2,0,0,0,0|0,1,0]=3 970 B7R0.10 C=C(CBr)C(=O)OC HR111903 [0,2,0,0,0,0|2,0,0]=4 971 B7R0.10 C=C(CCl)C(=O)OC HR109145 [0,2,0,0,0,0|2,0,0]=4 972 B7R0.10 C=C(CO)C(=O)OC HR105042 [0,2,0,0,0,0|2,0,0]=4 973 B7R0.10 CCC(=O)C(=O)CC HR122518 [0,2,0,0,0,0|1,0,0]=3 974 B7R0.10 CCC(Br)C(=O)OC HR123363 [0,2,0,0,0,0|1,0,0]=3 975 B7R0.10 CCC(C)C(=O)OC HR133876 [0,2,0,0,0,0|1,0,0]=3 976 B7R0.10 CCC(C)C(=O)OC HR143721 [0,2,0,0,0,0|1,0,0]=3 977 B7R0.10 CCC(C)C(=O)SC HR105243 [0,2,0,0,0,0|1,0,0]=3 978 B7R0.10 CCC(O)C(=O)OC HR144357 [0,2,0,0,0,0|1,0,0]=3 979 B7R0.10 CCC(S)C(C)C=O HR125292 [0,2,0,0,0,0|1,0,1]=4 980 B7R0.10 COC(=O)C(=O)CBr HR122614 [0,2,0,0,0,0|2,0,0]=4 981 B7R0.10 COC(=O)C(=O)OC HR147608 [0,2,0,0,0,0|2,0,0]=4 982 B7R0.10 COC(=O)C(Br)CBr HR132839 [0,2,0,0,0,0|2,0,0]=4 983 B7R0.10 COC(=O)C(C)CO HR144262 [0,2,0,0,0,0|2,0,0]=4 984 B7R0.10 COC(=O)C(Cl)CCl HR130110 [0,2,0,0,0,0|2,0,0]=4 985 B7R0.10 COC(=O)C(N)CCl HR117490 [0,2,0,0,0,0|2,0,0]=4 986 B7R0.10 COC(=O)C(N)CO HR126639 [0,2,0,0,0,0|2,0,0]=4 987 B7R0.10 COC(=O)C(N)CO HR134950 [0,2,0,0,0,0|2,0,0]=4 988 B7R0.10 COC(=O)C(N)CO HR136274 [0,2,0,0,0,0|2,0,0]=4 989 B7R0.10 COC(=O)C(N)CO HR146542 [0,2,0,0,0,0|2,0,0]=4 990 B7R0.10 COC(=O)C(N)CS HR136576 [0,2,0,0,0,0|2,0,0]=4 991 B7R0.10 COC(=O)C(O)CO HR119304 [0,2,0,0,0,0|2,0,0]=4 992 B7R0.10 COC(=O)C(O)OC HR135004 [0,2,0,0,0,0|2,0,0]=4 993 B7R0.10 COC(=O)N(C)OC HR148866 [0,2,0,0,0,0|2,0,0]=4 994 B7R0.10 CON(C)C(=O)CCl HR107841 [0,2,0,0,0,0|2,0,0]=4 995 B7R0.10 C\C=C(/C)C(=O)OC HR129001 [0,2,0,0,0,0|1,0,1]=4 996 B7R0.10 O=C(CO)C(O)CO HR100190 [0,2,0,0,0,0|2,0,0]=4 997 B7R0.9 C=C(C)CC(C)(C)C HR113816 [0,2,0,0,0,0|2,0,0]=4 998 B7R0.9 C=C(C)CC(C)(C)C HR145423 [0,2,0,0,0,0|2,0,0]=4 999 B7R0.9 CC(=O)CC(C)(C)S HR124484 [0,2,0,0,0,0|1,0,0]=3 1000 B7R0.9 CC(=O)CC(F)(F)F HR109282 [0,2,0,0,0,0|2,0,0]=4 1001 B7R0.9 CC(=O)N[Si](C)(C)C HR144225 [0,2,0,0,0,0|1,1,0]=4 1002 B7R0.9 CC(=O)OC(C)(C)C HR147076 [0,2,0,0,0,0|0,1,0]=3 1003 B7R0.9 CC(=O)O[Si](C)(C)C HR141690 [0,2,0,0,0,0|0,2,0]=4 1004 B7R0.9 CC(C)(C)CC(=O)Cl HR124713 [0,2,0,0,0,0|2,0,0]=4 1005 B7R0.9 CC(C)(C)CC(=O)O HR132975 [0,2,0,0,0,0|2,0,0]=4 1006 B7R0.9 CC(C)(C)NC(N)=O HR126222 [0,2,0,0,0,0|2,0,0]=4 1007 B7R0.9 CC(C)(C)OC(N)=O HR122401 [0,2,0,0,0,0|1,1,0]=4 1008 B7R0.9 CC(C)(N)CC(=O)O HR107222 [0,2,0,0,0,0|2,0,0]=4 1009 B7R0.9 CC(C)(N)CC(=O)O HR148652 [0,2,0,0,0,0|2,0,0]=4 1010 B7R0.9 CC(C)(O)CC(=O)O HR136960 [0,2,0,0,0,0|2,0,0]=4 1011 B7R0.9 CC(C)(O)CC(=O)[O-] HR140891 [0,2,0,0,0,0|2,0,0]=4 1012 B7R0.16 CC(=O)C(=O)C(C)C HR141113 [0,2,0,0,0,0|1,0,0]=3 1013 B7R0.16 CC(=O)C(C)C(C)=O HR142176 [0,2,0,0,0,0|1,0,1]=4 1014 B7R0.16 CC(=O)C(Cl)C(C)=O HR147348 [0,2,0,0,0,0|1,0,1]=4 1015 B7R0.16 CC(Br)C(Br)C(=O)O HR127665 [0,2,0,0,0,0|2,0,0]=4 1016 B7R0.16 CC(C)C(=O)C(=O)O HR136485 [0,2,0,0,0,0|2,0,0]=4 1017 B7R0.16 CC(C)C(=O)C(=O)[O-] HR127707 [0,2,0,0,0,0|2,0,0]=4 1018 B7R0.16 CC(C)C(=O)C(=O)[O-] HR137721 [0,2,0,0,0,0|2,0,0]=4 1019 B7R0.16 CC(C)C(Br)C(=O)Br HR136438 [0,2,0,0,0,0|2,0,0]=4 1020 B7R0.16 CC(C)C(Br)C(=O)O HR115414 [0,2,0,0,0,0|2,0,0]=4 1021 B7R0.16 CC(C)C(Br)C(=O)O HR124122 [0,2,0,0,0,0|2,0,0]=4 1022 B7R0.16 CC(C)C(Br)C(=O)O HR137032 [0,2,0,0,0,0|2,0,0]=4 1023 B7R0.16 CC(C)C(Cl)C(=O)O HR103881 [0,2,0,0,0,0|2,0,0]=4 1024 B7R0.16 CC(C)C(F)C(=O)O HR116661 [0,2,0,0,0,0|2,0,0]=4 1025 B7R0.16 CC(C)C(N)C(=O)O HR126445 [0,2,0,0,0,0|2,0,0]=4 1026 B7R0.16 CC(C)C(N)C(=O)O HR130729 [0,2,0,0,0,0|2,0,0]=4 1027 B7R0.16 CC(C)C(N)C(=O)O HR134362 [0,2,0,0,0,0|2,0,0]=4 1028 B7R0.16 CC(C)C(N)C(=O)O HR141699 [0,2,0,0,0,0|2,0,0]=4 1029 B7R0.16 CC(C)C(N)C(N)=O HR112915 [0,2,0,0,0,0|2,0,0]=4 1030 B7R0.16 CC(C)C(N)C(N)=O HR122778 [0,2,0,0,0,0|2,0,0]=4 1031 B7R0.16 CC(C)C(O)C(=O)O HR124143 [0,2,0,0,0,0|2,0,0]=4 1032 B7R0.16 CC(O)C(N)C(=O)O HR126335 [0,2,0,0,0,0|2,0,0]=4 1033 B7R0.16 CC(O)C(N)C(=O)O HR128851 [0,2,0,0,0,0|2,0,0]=4 1034 B7R0.16 CC(O)C(N)C(=O)O HR129391 [0,2,0,0,0,0|2,0,0]=4 1035 B7R0.16 CC(O)C(N)C(=O)O HR129491 [0,2,0,0,0,0|2,0,0]=4 1036 B7R0.16 CC(O)C(N)C(=O)O HR135216 [0,2,0,0,0,0|2,0,0]=4 1037 B7R0.16 CC(O)C(N)C(=O)O HR138779 [0,2,0,0,0,0|2,0,0]=4 1038 B7R0.16 CC(O)C(N)C(N)=O RASA04107 [0,2,0,0,0,0|2,0,0]=4 1039 B7R0.13 CCC(C)(C)C(=O)Cl HR128409 [0,2,0,0,0,0|2,0,0]=4 1040 B7R0.13 CCC(C)(C)C(=O)O HR124650 [0,2,0,0,0,0|2,0,0]=4 1041 B7R0.13 CCC(C)(N)C(=O)O HR143390 [0,2,0,0,0,0|2,0,0]=4 1042 B7R0.13 CCC(C)(O)C(=O)O HR124635 [0,2,0,0,0,0|2,0,0]=4 1043 B7R0.15 CCC(CC)C(=O)O HR140709 [0,2,0,0,0,0|2,0,0]=4 1044 B7R0.15 CCC(CC)C(N)=O HR138630 [0,2,0,0,0,0|2,0,0]=4 1045 B7R0.15 CCN(CC)C(=O)Cl HR128476 [0,2,0,0,0,0|2,0,0]=4 1046 B7R0.15 COC(OC)C(C)=O HR9977 [0,2,0,0,0,0|2,0,0]=4 1047 B7R0.4 C#CCCCC(=O)O HR119998 [0,2,0,0,0,0|2,0,0]=4 1048 B7R0.4 C=CCCCC(=O)O HR110118 [0,2,0,0,0,0|2,0,0]=4 1049 B7R0.4 CC(=O)CCCCBr HR125447 [0,2,0,0,0,0|1,0,0]=3 1050 B7R0.4 CC(=O)CCCCCl HR124124 [0,2,0,0,0,0|1,0,0]=3 1051 B7R0.4 CC(=O)OCCCCl HR130837 [0,2,0,0,0,0|0,1,0]=3 1052 B7R0.4 CCCCNC(N)=O HR125670 [0,2,0,0,0,0|2,0,0]=4 1053 B7R0.4 CCCCOC(N)=O HR123655 [0,2,0,0,0,0|1,1,0]=4 1054 B7R0.4 CCC\C=C\C(C)=O HR30170 [0,2,0,0,0,0|1,0,0]=3 1055 B7R0.4 CCOCC=C(C)C HR111947 [0,2,0,0,0,0|1,1,0]=4 1056 B7R0.4 CCO[SiH2]C=C(C)C HR136449 [0,2,0,0,0,0|1,1,0]=4 1057 B7R0.4 CCO\C=C\C(=O)Cl HR144705 [0,2,0,0,0,0|1,1,0]=4 1058 B7R0.4 CCO\C=C\C(=O)O HR20958 [0,2,0,0,0,0|1,1,0]=4 1059 B7R0.4 CC\C=C\CC(=O)O HR109903 [0,2,0,0,0,0|2,0,0]=4 1060 B7R0.4 N#CCCCC(=O)O HR118843 [0,2,0,0,0,0|2,0,0]=4 1061 B7R0.4 N#CCSCC(=O)O HR110059 [0,2,0,0,0,0|1,0,1]=4 1062 B7R0.4 N#CCSCC(=O)[O-] HR136238 [0,2,0,0,0,0|1,0,1]=4 1063 B7R0.4 NC(=O)COCCCl HR115417 [0,2,0,0,0,0|1,1,0]=4 1064 B7R0.4 NCCCCC(=O)O HR127046 [0,2,0,0,0,0|2,0,0]=4 1065 B7R0.4 NCCCCC(=O)O HR139651 [0,2,0,0,0,0|2,0,0]=4 1066 B7R0.4 O=C(Cl)CCCCBr HR138251 [0,2,0,0,0,0|2,0,0]=4 1067 B7R0.4 O=C(Cl)CCCCCl HR135830 [0,2,0,0,0,0|2,0,0]=4 1068 B7R0.4 O=C(Cl)OCCCCl HR136628 [0,2,0,0,0,0|1,1,0]=4 1069 B7R0.4 O=C(O)CCCCBr HR127598 [0,2,0,0,0,0|2,0,0]=4 1070 B7R0.4 O=C(O)CCCCCl HR127871 [0,2,0,0,0,0|2,0,0]=4 1071 B7R0.4 O=C(O)COCCCl HR100767 [0,2,0,0,0,0|1,1,0]=4 1072 B7R0.6 C=C(C)COC(C)=O HR110682 [0,2,0,0,0,0|0,1,0]=3 1073 B7R0.6 CC(=O)CCC(=O)O HR127576 [0,2,0,0,0,0|1,0,1]=4 1074 B7R0.6 CC(=O)CCC(=O)[O-] HR143916 [0,2,0,0,0,0|1,0,1]=4 1075 B7R0.6 CC(=O)CCC(C)=O HR125376 [0,2,0,0,0,0|1,0,0]=3 1076 B7R0.6 CC(=O)CNC(C)=O HR146276 [0,2,0,0,0,0|1,0,0]=3 1077 B7R0.6 CC(=O)COC(C)=O HR123551 [0,2,0,0,0,0|0,1,0]=3 1078 B7R0.6 CC(=O)NCC(=O)O HR138579 [0,2,0,0,0,0|1,0,1]=4 1079 B7R0.6 CC(=O)NNC(C)=O HR131799 [0,2,0,0,0,0|1,0,1]=4 1080 B7R0.6 CC(=O)OCC(=O)Cl HR135462 [0,2,0,0,0,0|0,1,1]=4 1081 B7R0.6 CC(=O)OCC(=O)O HR120464 [0,2,0,0,0,0|0,1,1]=4 1082 B7R0.6 CC(=O)\C=C\C(C)C HR142759 [0,2,0,0,0,0|1,0,0]=3 1083 B7R0.6 CC(C)CCC(=O)Cl HR101969 [0,2,0,0,0,0|2,0,0]=4 1084 B7R0.6 CC(C)CCC(=O)O HR141883 [0,2,0,0,0,0|2,0,0]=4 1085 B7R0.6 CC(C)SSC(C)C HR132081 [0,2,0,0,0,0|1,0,1]=4 1086 B7R0.6 CC(C)\C=C\C(=O)[O-] HR107648 [0,2,0,0,0,0|2,0,0]=4 1087 B7R0.6 CN(C)CCC(=O)O HR114553 [0,2,0,0,0,0|2,0,0]=4 1088 B7R0.6 CN(C)CCC(=O)O HR147791 [0,2,0,0,0,0|2,0,0]=4 1089 B7R0.6 C[S+](C)CCC(=O)O HR107679 [0,2,0,0,0,0|2,0,0]=4 1090 B7R0.6 C[S+](C)CCC(=O)[O-] HR144459 [0,2,0,0,0,0|2,0,0]=4 1091 B7R0.6 O=C([O-])CSC(F)F HR116710 [0,2,0,0,0,0|2,0,0]=4 1092 B5R1.2 BrC1CCC1 HR102749 [1,0,0,1,0,0|1,0,1]=4 1093 B5R1.2 ClC1CCC1 HR137502 [1,0,0,1,0,0|1,0,1]=4 1094 B5R1.2 NC1CCC1 HR102182 [1,0,0,1,0,0|1,0,1]=4 1095 B5R1.2 NC1CCC1 HR132878 [1,0,0,1,0,0|1,0,1]=4 1096 B5R1.2 O=C1CCC1 HR9021 [1,0,0,1,0,0|0,0,0]=2 1097 B5R1.2 O=C1CCN1 HR128794 [1,0,0,1,0,0|1,0,0]=3 1098 B5R1.2 O=C1CCO1 HR101496 [1,0,0,1,0,0|0,1,0]=3 1099 B5R1.2 O=C1CNC1 HR108729 [1,0,0,1,0,0|1,0,0]=3 1100 B5R1.2 O=C1CNC1 HR114873 [1,0,0,1,0,0|1,0,0]=3 1101 B5R1.2 O=C1COC1 HR111276 [1,0,0,1,0,0|1,0,0]=3 1102 B5R1.2 O=C1CSC1 HR105015 [1,0,0,1,0,0|1,0,0]=3 1103 B5R1.2 OC1CCC1 HR128363 [1,0,0,1,0,0|0,0,2]=4 1104 B5R1.3 CCC1CO1 HR112534 [1,0,0,1,0,0|0,0,2]=4 1105 B5R1.3 CCC1CO1 HR129561 [1,0,0,1,0,0|0,0,2]=4 1106 B5R1.4 CC1OC1C HR131286 [1,0,0,1,0,0|0,0,2]=4 1107 B5R1.5 CC1(N)CC1 HR148735 [1,0,0,1,0,0|1,0,1]=4 1108 B5R1.5 CC1(O)CC1 HR103926 [1,0,0,1,0,0|0,0,2]=4 1109 B5R1.1 C1=CCNC1 HR105680 [1,0,0,1,0,0|2,0,0]=4 1110 B5R1.1 C1=CCNC1 HR134578 [1,0,0,1,0,0|2,0,0]=4 1111 B5R1.1 C1=CCOC1 HR126187 [1,0,0,1,0,0|2,0,0]=4 1112 B5R1.1 C1=COCC1 CEJL02606 [1,0,0,1,0,0|0,1,1]=4 1113 B5R1.1 C1CCNC1 HR147708 [1,0,0,1,0,0|1,0,1]=4 1114 B5R1.1 C1CCOC1 HR118830 [1,0,0,1,0,0|0,1,1]=4 1115 B5R1.1 C1CCOC1 HR130654 [1,0,0,1,0,0|0,1,1]=4 1116 B7R1.1 CCC1=NCCO1 HR131444 [0,1,0,1,0,0|1,0,1]=4 1117 B7R1.1 COC1=NCCN1 HR121684 [0,1,0,1,0,0|2,0,0]=4 1118 B7R1.1 CSC1=NCCS1 HR105452 [0,1,0,1,0,0|1,0,0]=3 1119 B7R1.1 CSC1=NCCS1 HR124600 [0,1,0,1,0,0|1,0,0]=3 1120 B7R1.1 ClCC1=NCCN1 HR127500 [0,1,0,1,0,0|2,0,0]=4 1121 B7R1.1 O=CC1=CCSC1 HR113279 [0,1,0,1,0,0|2,0,0]=4 1122 B7R1.1 O=CC1CCCC1 HR129057 [0,1,0,1,0,0|1,0,1]=4 1123 B7R1.1 O=CC1CCCO1 HR106351 [0,1,0,1,0,0|0,1,1]=4 1124 B7R1.1 OCC1OCCS1 APSA07208 [0,1,0,1,0,0|0,0,2]=4 1125 B7R1.1 ON=C1CCCC1 HR108538 [0,1,0,1,0,0|1,0,1]=4 1126 B7R1.2 CC1=CC(=O)CC1 HR137516 [0,1,0,1,0,0|1,0,1]=4 1127 B7R1.2 CC1=CC(=O)CO1 HR119186 [0,1,0,1,0,0|1,0,1]=4 1128 B7R1.2 CC1=CC(=O)OC1 HR118210 [0,1,0,1,0,0|0,1,1]=4 1129 B7R1.2 CC1=CC=C(C)S1 HR126900 [0,1,0,1,0,0|1,0,1]=4 1130 B7R1.2 CC1=CCC(=O)O1 HR136942 [0,1,0,1,0,0|0,1,1]=4 1131 B7R1.2 CC1=CN=C(C)S1 HR137694 [0,1,0,1,0,0|1,0,1]=4 1132 B7R1.2 CC1=CSC(C)=C1 HR101719 [0,1,0,1,0,0|1,0,1]=4 1133 B7R1.2 CC1=CSC(C)=N1 HR133885 [0,1,0,1,0,0|1,0,1]=4 1134 B7R1.2 CC1=NNC(=O)C1 HR133577 [0,1,0,1,0,0|1,0,1]=4 1135 B7R1.2 CC1CCC(=O)O1 HR126256 [0,1,0,1,0,0|0,1,0]=3 1136 B7R1.2 CC1CNC(=O)C1 HR146359 [0,1,0,1,0,0|1,0,0]=3 1137 B7R1.2 CC1CNC(=O)C1 HR146360 [0,1,0,1,0,0|1,0,0]=3 1138 B7R1.2 CC1CNC(=O)C1 HR146369 [0,1,0,1,0,0|1,0,0]=3 1139 B7R1.2 CC1COC(=O)O1 HR125363 [0,1,0,1,0,0|0,1,0]=3 1140 B7R1.2 CC1COC(=O)O1 HR128407 [0,1,0,1,0,0|0,1,0]=3 1141 B7R1.2 CC1COC(=O)O1 HR129273 [0,1,0,1,0,0|0,1,0]=3 1142 B7R1.2 CN1CCC(=O)C1 HR102484 [0,1,0,1,0,0|1,0,0]=3 1143 B7R1.2 NC1CCC(=O)C1 HR145995 [0,1,0,1,0,0|1,0,0]=3 1144 B7R1.2 NC1COC(=O)C1 HR14757 [0,1,0,1,0,0|0,1,0]=3 1145 B7R1.2 NC1COC(=O)C1 HR14758 [0,1,0,1,0,0|0,1,0]=3 1146 B7R1.2 O=C1CC(O)CN1 HR138458 [0,1,0,1,0,0|1,0,0]=3 1147 B7R1.2 O=C1CC(O)CN1 HR138722 [0,1,0,1,0,0|1,0,0]=3 1148 B7R1.2 O=C1CC(O)CN1 HR145864 [0,1,0,1,0,0|1,0,0]=3 1149 B7R1.2 O=C1CC(O)CO1 HR126625 [0,1,0,1,0,0|0,1,0]=3 1150 B7R1.2 O=C1CC(O)CO1 HR127054 [0,1,0,1,0,0|0,1,0]=3 1151 B7R1.2 O=C1CC(S)CN1 HR112550 [0,1,0,1,0,0|1,0,0]=3 1152 B7R1.2 O=C1CCC(=O)C1 HR130125 [0,1,0,1,0,0|1,0,1]=4 1153 B7R1.2 O=C1CCC(=O)N1 HR135734 [0,1,0,1,0,0|1,0,1]=4 1154 B7R1.2 O=C1CCC(=O)O1 HR135468 [0,1,0,1,0,0|0,1,1]=4 1155 B7R1.2 O=C1COC(=O)C1 HR100364 [0,1,0,1,0,0|0,1,1]=4 1156 B7R1.2 O=C1CSC(=O)N1 HR137564 [0,1,0,1,0,0|1,0,1]=4 1157 B7R1.2 O=C1OCC(Cl)O1 HR123970 [0,1,0,1,0,0|1,1,0]=4 1158 B7R1.2 O=C1OCC(F)O1 HR135652 [0,1,0,1,0,0|1,1,0]=4 1159 B7R1.3 BrC1=CCCCC1 HR156605 [0,1,0,1,0,0|2,0,0]=4 1160 B7R1.3 C=C1CCNCC1 HR142260 [0,1,0,1,0,0|2,0,0]=4 1161 B7R1.3 CC1=CCCCC1 HR143913 [0,1,0,1,0,0|2,0,0]=4 1162 B7R1.3 ClC1=CCCCC1 HR129641 [0,1,0,1,0,0|2,0,0]=4 1163 B7R1.3 NC1=NCCCN1 HR113903 [0,1,0,1,0,0|2,0,0]=4 1164 B7R1.3 O=C1C=CCCC1 HR146309 [0,1,0,1,0,0|1,0,0]=3 1165 B7R1.3 O=C1CCCCC1 SIJL01002 [0,1,0,1,0,0|1,0,0]=3 1166 B7R1.3 O=C1CCCCN1 HR126393 [0,1,0,1,0,0|1,0,0]=3 1167 B7R1.3 O=C1CCCCO1 HR128412 [0,1,0,1,0,0|0,1,0]=3 1168 B7R1.3 O=C1CCCNC1 HR108093 [0,1,0,1,0,0|1,0,0]=3 1169 B7R1.3 O=C1CCCNC1 HR116769 [0,1,0,1,0,0|1,0,0]=3 1170 B7R1.3 O=C1CCCOC1 HR104744 [0,1,0,1,0,0|0,1,0]=3 1171 B7R1.3 O=C1CCNCC1 CESA03001 [0,1,0,1,0,0|1,0,0]=3 1172 B7R1.3 O=C1CCNCC1 HR105315 [0,1,0,1,0,0|1,0,0]=3 1173 B7R1.3 O=C1CCNCC1 HR7756 [0,1,0,1,0,0|1,0,0]=3 1174 B7R1.3 O=C1CCOCC1 HR9557 [0,1,0,1,0,0|1,0,0]=3 1175 B7R1.3 O=C1CCSCC1 HR123861 [0,1,0,1,0,0|1,0,0]=3 1176 B7R1.3 O=C1CC[NH2+]CC1 HR127185 [0,1,0,1,0,0|1,0,0]=3 1177 B7R1.3 O=C1CNCCN1 HR132423 [0,1,0,1,0,0|1,0,0]=3 1178 B7R1.3 O=C1CNCCO1 HR30209 [0,1,0,1,0,0|0,1,0]=3 1179 B7R1.3 O=C1COCCN1 HR115059 [0,1,0,1,0,0|1,0,0]=3 1180 B7R1.3 O=C1COCCO1 HR127683 [0,1,0,1,0,0|0,1,0]=3 1181 B7R1.3 O=C1CSCCN1 HR147732 [0,1,0,1,0,0|1,0,0]=3 1182 B7R1.3 O=C1NCCCN1 HR123216 [0,1,0,1,0,0|1,0,0]=3 1183 B7R1.3 O=S1OCCCO1 HR134327 [0,1,0,1,0,0|1,1,0]=4 1184 B7R1.4 BrC1=C(Br)CCC1 HR137703 [0,1,0,1,0,0|2,0,0]=4 1185 B7R1.4 C=C1CCOC1=O HR130328 [0,1,0,1,0,0|0,1,1]=4 1186 B7R1.4 CC1=C(S)CCO1 HR124755 [0,1,0,1,0,0|0,2,0]=4 1187 B7R1.4 CC1=CCCC1=O HR114448 [0,1,0,1,0,0|1,0,0]=3 1188 B7R1.4 CC1CCCC1=O HR112329 [0,1,0,1,0,0|1,0,0]=3 1189 B7R1.4 CC1CCNC1=O HR103871 [0,1,0,1,0,0|1,0,0]=3 1190 B7R1.4 CC1OCCC1=O HR131028 [0,1,0,1,0,0|0,1,1]=4 1191 B7R1.4 CC1SCCC1=O HR124610 [0,1,0,1,0,0|0,0,1]=3 1192 B7R1.4 CN1CCCC1=O HR130754 [0,1,0,1,0,0|1,0,0]=3 1193 B7R1.4 CN1CCOC1=O HR132150 [0,1,0,1,0,0|0,1,0]=3 1194 B7R1.4 CN1CCSC1=S HR116749 [0,1,0,1,0,0|0,1,0]=3 1195 B7R1.4 NC1CCNC1=O HR148583 [0,1,0,1,0,0|1,0,0]=3 1196 B7R1.4 NC1CCOC1=O HR103069 [0,1,0,1,0,0|0,1,0]=3 1197 B7R1.4 NC1CCOC1=O HR134625 [0,1,0,1,0,0|0,1,0]=3 1198 B7R1.4 NC1CCOC1=O HR137954 [0,1,0,1,0,0|0,1,0]=3 1199 B7R1.4 NC1CCOC1=O HR146738 [0,1,0,1,0,0|0,1,0]=3 1200 B7R1.4 NC1CCSC1=O HR137672 [0,1,0,1,0,0|0,0,0]=2 1201 B7R1.4 NC1CONC1=O HR101265 [0,1,0,1,0,0|2,0,0]=4 1202 B7R1.4 NC1CONC1=O HR127398 [0,1,0,1,0,0|2,0,0]=4 1203 B7R1.4 NC1CONC1=O HR136196 [0,1,0,1,0,0|2,0,0]=4 1204 B7R1.4 NN1CCCC1=O GASA04306 [0,1,0,1,0,0|1,0,0]=3 1205 B7R1.4 NN1CCOC1=O HR146108 [0,1,0,1,0,0|1,1,0]=4 1206 B7R1.4 O=C1CCC=C1O HR148600 [0,1,0,1,0,0|1,0,1]=4 1207 B7R1.4 O=C1CCCC1Br HR121144 [0,1,0,1,0,0|1,0,0]=3 1208 B7R1.4 O=C1CCCC1Cl HR112783 [0,1,0,1,0,0|1,0,0]=3 1209 B7R1.4 O=C1NCCC1O HR102172 [0,1,0,1,0,0|1,0,0]=3 1210 B7R1.4 O=C1NCCC1O HR113273 [0,1,0,1,0,0|1,0,0]=3 1211 B7R1.4 O=C1NCCC1O HR113406 [0,1,0,1,0,0|1,0,0]=3 1212 B7R1.4 O=C1NCCC1O HR147016 [0,1,0,1,0,0|1,0,0]=3 1213 B7R1.4 O=C1OCCC1Br HR10714 [0,1,0,1,0,0|0,1,0]=3 1214 B7R1.10 COC1CC(=O)C1 HR114228 [0,1,0,1,0,0|1,0,0]=3 1215 B7R1.10 N#CC1CC(=O)C1 HR121457 [0,1,0,1,0,0|1,0,1]=4 1216 B7R1.10 O=C1CC(CBr)C1 HR119561 [0,1,0,1,0,0|1,0,0]=3 1217 B7R1.10 O=C1CC(CCl)C1 HR119882 [0,1,0,1,0,0|1,0,0]=3 1218 B7R1.10 O=C1CC(CO)C1 HR103458 [0,1,0,1,0,0|1,0,0]=3 1219 B7R1.22 CCC(=O)C1CC1 HR104134 [0,1,0,1,0,0|1,0,0]=3 1220 B7R1.22 COC(=O)C1CC1 HR128125 [0,1,0,1,0,0|1,0,0]=3 1221 B7R1.22 COC(=O)C1CN1 HR112447 [0,1,0,1,0,0|2,0,0]=4 1222 B7R1.22 COC(=O)C1CO1 HR129937 [0,1,0,1,0,0|2,0,0]=4 1223 B7R1.22 O=C(CBr)C1CC1 HR125713 [0,1,0,1,0,0|1,0,0]=3 1224 B7R1.20 O=C(O)CC1CC1 HR136745 [0,1,0,1,0,0|2,0,0]=4 1225 B7R1.18 CC(=O)C1CCC1 HR143826 [0,1,0,1,0,0|1,0,0]=3 1226 B7R1.18 NC(=O)C1CCN1 HR115575 [0,1,0,1,0,0|2,0,0]=4 1227 B7R1.18 O=C(Cl)C1CCC1 HR129809 [0,1,0,1,0,0|2,0,0]=4 1228 B7R1.18 O=C(O)C1CCC1 HR136661 [0,1,0,1,0,0|2,0,0]=4 1229 B7R1.18 O=C(O)C1CCN1 HR103406 [0,1,0,1,0,0|2,0,0]=4 1230 B7R1.18 O=C(O)C1CCN1 HR106573 [0,1,0,1,0,0|2,0,0]=4 1231 B7R1.18 O=C(O)C1CCN1 HR118789 [0,1,0,1,0,0|2,0,0]=4 1232 B7R1.18 O=C(O)C1CCN1 HR127792 [0,1,0,1,0,0|2,0,0]=4 1233 B7R1.18 O=C(O)C1CCN1 HR132187 [0,1,0,1,0,0|2,0,0]=4 1234 B7R1.18 O=C(O)C1CCN1 HR138860 [0,1,0,1,0,0|2,0,0]=4 1235 B7R1.18 O=C(O)C1CCO1 HR109624 [0,1,0,1,0,0|1,1,0]=4 1236 B7R1.18 O=C(O)C1CNC1 SIJL01006 [0,1,0,1,0,0|2,0,0]=4 1237 B7R1.18 O=C(O)C1COC1 HR111082 [0,1,0,1,0,0|2,0,0]=4 1238 B7R1.19 CC1(C(=O)O)CC1 HR142472 [0,1,0,1,0,0|2,0,0]=4 1239 B7R1.19 NC1(C(=O)O)CC1 HR136208 [0,1,0,1,0,0|2,0,0]=4 1240 B7R1.19 O=C(O)C1(O)CC1 HR130601 [0,1,0,1,0,0|2,0,0]=4 1241 B7R1.14 CC1(C)NCCS1 HR123441 [0,1,0,1,0,0|1,0,1]=4 1242 B7R1.14 O=S1(=O)CCCC1 HR100013 [0,1,0,1,0,0|2,0,0]=4 1243 B7R1.14 O=S1(=O)CCCO1 HR136793 [0,1,0,1,0,0|1,1,0]=4