0 B7R1.3 BrC1=CC=CC=C1 BR1026 [0,0,0,0,0,0|1,0,3]=4 1 B7R1.3 BrC1=CC=CN=C1 008797 [0,0,0,0,0,0|2,0,2]=4 2 B7R1.3 BrC1=CC=NC=C1 045184 [0,0,0,0,0,0|2,0,2]=4 3 B7R1.3 BrC1=NC=CC=C1 036222 [0,0,0,0,0,0|2,0,2]=4 4 B7R1.3 BrC1=NN=CC=C1 078228 [0,0,0,0,0,0|3,0,1]=4 5 B7R1.3 BrC1C=CCCC1 091672 [0,0,0,0,0,0|1,0,1]=2 6 B7R1.3 BrC1CCCCC1 097678 [0,0,0,0,0,0|1,0,3]=4 7 B7R1.3 C=C1CCCCC1 238843 [0,0,0,0,0,0|1,0,2]=3 8 B7R1.3 CC1=CC=CC=C1 035922 [0,0,0,0,0,0|1,0,3]=4 9 B7R1.3 CC1=CC=CC=C1 046885 [0,0,0,0,0,0|1,0,3]=4 10 B7R1.3 CC1=CC=CC=C1 099899 [0,0,0,0,0,0|1,0,3]=4 11 B7R1.3 CC1=CC=CC=C1 102149 [0,0,0,0,0,0|1,0,3]=4 12 B7R1.3 CC1=CC=CN=C1 235657 [0,0,0,0,0,0|2,0,2]=4 13 B7R1.3 CC1=CC=CN=N1 236526 [0,0,0,0,0,0|3,0,1]=4 14 B7R1.3 CC1=CC=NC=C1 094587 [0,0,0,0,0,0|2,0,2]=4 15 B7R1.3 CC1=CCCCC1 098887 [0,0,0,0,0,0|1,0,1]=2 16 B7R1.3 CC1=NC=CC=C1 235658 [0,0,0,0,0,0|2,0,2]=4 17 B7R1.3 CC1=NC=NC=C1 045243 [0,0,0,0,0,0|3,0,1]=4 18 B7R1.3 CC1CCCCC1 013924 [0,0,0,0,0,0|1,0,3]=4 19 B7R1.3 CC1CCCCN1 098820 [0,0,0,0,0,0|2,0,2]=4 20 B7R1.3 CC1CCCNC1 095841 [0,0,0,0,0,0|2,0,2]=4 21 B7R1.3 CN1CCCCC1 098869 [0,0,0,0,0,0|2,0,2]=4 22 B7R1.3 ClC1=CC=CC=C1 044613 [0,0,0,0,0,0|1,0,3]=4 23 B7R1.3 ClC1=CC=CC=C1 101617 [0,0,0,0,0,0|1,0,3]=4 24 B7R1.3 ClC1=CC=CN=C1 045189 [0,0,0,0,0,0|2,0,2]=4 25 B7R1.3 ClC1=CC=NC=C1 045187 [0,0,0,0,0,0|2,0,2]=4 26 B7R1.3 ClC1=NC=CC=C1 044502 [0,0,0,0,0,0|2,0,2]=4 27 B7R1.3 ClC1CCCCC1 494120 [0,0,0,0,0,0|1,0,3]=4 28 B7R1.3 FC1=CC=CC=C1 001699 [0,0,0,0,0,0|1,0,3]=4 29 B7R1.3 FC1=CC=CN=C1 001298 [0,0,0,0,0,0|2,0,2]=4 30 B7R1.3 FC1=CC=NC=C1 049831 [0,0,0,0,0,0|2,0,2]=4 31 B7R1.3 FC1=NC=CC=C1 001297 [0,0,0,0,0,0|2,0,2]=4 32 B7R1.3 FC1CCCNC1 009738 [0,0,0,0,0,0|2,0,2]=4 33 B7R1.3 IC1=CC=CC=C1 003461 [0,0,0,0,0,0|1,0,3]=4 34 B7R1.3 IC1=CC=CN=C1 008065 [0,0,0,0,0,0|2,0,2]=4 35 B7R1.3 IC1=CC=NC=C1 019463 [0,0,0,0,0,0|2,0,2]=4 36 B7R1.3 IC1=NC=CC=C1 067334 [0,0,0,0,0,0|2,0,2]=4 37 B7R1.3 IC1CCCCC1 095024 [0,0,0,0,0,0|1,0,3]=4 38 B7R1.3 N=C1CCCCN1 437867 [0,0,0,0,0,0|2,0,1]=3 39 B7R1.3 NC1=CC=CC=C1 044723 [0,0,0,0,0,0|1,0,3]=4 40 B7R1.3 NC1=CC=CC=C1 098809 [0,0,0,0,0,0|1,0,3]=4 41 B7R1.3 NC1=CC=CC=C1 228177 [0,0,0,0,0,0|1,0,3]=4 42 B7R1.3 NC1=CC=CN=C1 003677 [0,0,0,0,0,0|2,0,2]=4 43 B7R1.3 NC1=CC=CN=N1 064947 [0,0,0,0,0,0|3,0,1]=4 44 B7R1.3 NC1=CC=NC=C1 047207 [0,0,0,0,0,0|2,0,2]=4 45 B7R1.3 NC1=CC=NC=C1 180633 [0,0,0,0,0,0|2,0,2]=4 46 B7R1.3 NC1=CC=NC=N1 013417 [0,0,0,0,0,0|3,0,1]=4 47 B7R1.3 NC1=NC=CC=C1 050259 [0,0,0,0,0,0|2,0,2]=4 48 B7R1.3 NC1=NN=CC=C1 078256 [0,0,0,0,0,0|3,0,1]=4 49 B7R1.3 NC1CCCCC1 005016 [0,0,0,0,0,0|1,0,3]=4 50 B7R1.3 NC1CCCCC1 094537 [0,0,0,0,0,0|1,0,3]=4 51 B7R1.3 NC1CCCCC1 123312 [0,0,0,0,0,0|1,0,3]=4 52 B7R1.3 NC1CCCNC1 064988 [0,0,0,0,0,0|2,0,2]=4 53 B7R1.3 NC1CCCOC1 041901 [0,0,0,0,0,0|2,0,2]=4 54 B7R1.3 NN1CCCCC1 235886 [0,0,0,0,0,0|2,0,2]=4 55 B7R1.3 O=C1C=CC=CN1 338426 [0,0,0,0,0,0|1,0,2]=3 56 B7R1.3 O=C1C=CCCC1 040004 [0,0,0,0,0,0|0,0,0]=0 57 B7R1.3 O=C1CCCCC1 046757 [0,0,0,0,0,0|0,0,2]=2 58 B7R1.3 O=C1CCCCC1 101607 [0,0,0,0,0,0|0,0,2]=2 59 B7R1.3 O=C1CCCCN1 043484 [0,0,0,0,0,0|1,0,1]=2 60 B7R1.3 O=C1CCCCO1 448260 [0,0,0,0,0,0|1,0,1]=2 61 B7R1.3 O=C1CCCNC1 078172 [0,0,0,0,0,0|1,0,1]=2 62 B7R1.3 O=C1CCCOC1 070460 [0,0,0,0,0,0|1,0,1]=2 63 B7R1.3 O=C1CCNCC1 008861 [0,0,0,0,0,0|1,0,2]=3 64 B7R1.3 O=C1CCOCC1 036435 [0,0,0,0,0,0|1,0,2]=3 65 B7R1.3 O=C1CCSCC1 069034 [0,0,0,0,0,0|1,0,2]=3 66 B7R1.3 O=C1CNCCN1 031681 [0,0,0,0,0,0|2,0,1]=3 67 B7R1.3 O=C1COCCN1 038232 [0,0,0,0,0,0|2,0,1]=3 68 B7R1.3 O=C1COCCO1 242965 [0,0,0,0,0,0|2,0,1]=3 69 B7R1.3 O=C1NCCCN1 208604 [0,0,0,0,0,0|2,0,1]=3 70 B7R1.3 OC1=CC=CC=C1 098645 [0,0,0,0,0,0|0,0,4]=4 71 B7R1.3 OC1=CC=CC=C1 101882 [0,0,0,0,0,0|0,0,4]=4 72 B7R1.3 OC1=CC=CC=C1 102467 [0,0,0,0,0,0|0,0,4]=4 73 B7R1.3 OC1=CC=CN=C1 045225 [0,0,0,0,0,0|1,0,3]=4 74 B7R1.3 OC1=CC=NC=C1 045193 [0,0,0,0,0,0|1,0,3]=4 75 B7R1.3 OC1=CC=NN=C1 077229 [0,0,0,0,0,0|2,0,2]=4 76 B7R1.3 OC1=NC=CC=C1 003423 [0,0,0,0,0,0|1,0,3]=4 77 B7R1.3 OC1=NC=NC=C1 068731 [0,0,0,0,0,0|2,0,2]=4 78 B7R1.3 OC1CCCCC1 094602 [0,0,0,0,0,0|0,0,4]=4 79 B7R1.3 OC1CCCCO1 068766 [0,0,0,0,0,0|1,0,3]=4 80 B7R1.3 OC1CCCNC1 011774 [0,0,0,0,0,0|1,0,3]=4 81 B7R1.3 OC1CCCNC1 068876 [0,0,0,0,0,0|1,0,3]=4 82 B7R1.3 OC1CCCOC1 047681 [0,0,0,0,0,0|1,0,3]=4 83 B7R1.3 O[C@@H]1CCCNC1 011776 [0,0,0,0,0,0|1,0,3]=4 84 B7R1.3 O[C@H]1CCCNC1 011775 [0,0,0,0,0,0|1,0,3]=4 85 B7R1.3 PC1=CC=CC=C1 106038 [0,0,0,0,0,0|1,0,3]=4 86 B7R1.3 S=C1C=CC=NN1 180025 [0,0,0,0,0,0|2,1,1]=4 87 B7R1.3 S=C1NCCCN1 018995 [0,0,0,0,0,0|2,1,1]=4 88 B7R1.3 SC1=CC=CC=C1 094667 [0,0,0,0,0,0|0,1,3]=4 89 B7R1.3 SC1=CC=NC=C1 358023 [0,0,0,0,0,0|1,1,2]=4 90 B7R1.3 SC1=NC=CC=C1 023265 [0,0,0,0,0,0|1,1,2]=4 91 B7R1.3 SC1CCCCC1 099097 [0,0,0,0,0,0|0,1,3]=4 92 B7R1.3 [O-]C1=CC=CC=C1 180036 [0,0,0,0,0,0|0,0,4]=4 93 B7R1.3 [S-]C1=CC=CC=C1 303893 [0,0,0,0,0,0|0,1,3]=4 94 B7R1.3 [SiH3]C1=CC=CC=C1 S13600 [0,0,0,0,0,0|1,0,3]=4 95 B6R1.1 C1=CC=CC=C1 099466 [1,0,0,0,0,0|0,0,3]=4 96 B6R1.1 C1=CC=CC=C1 101960 [1,0,0,0,0,0|0,0,3]=4 97 B6R1.1 C1=CC=NC=C1 002844 [1,0,0,0,0,0|1,0,2]=4 98 B6R1.1 C1=CC=NC=C1 005154 [1,0,0,0,0,0|1,0,2]=4 99 B6R1.1 C1=CC=NC=C1 013123 [1,0,0,0,0,0|1,0,2]=4 100 B6R1.1 C1=CC=NC=C1 034521 [1,0,0,0,0,0|1,0,2]=4 101 B6R1.1 C1=CC=NC=C1 044990 [1,0,0,0,0,0|1,0,2]=4 102 B6R1.1 C1=CC=NC=C1 068549 [1,0,0,0,0,0|1,0,2]=4 103 B6R1.1 C1=CC=NC=C1 094222 [1,0,0,0,0,0|1,0,2]=4 104 B6R1.1 C1=CC=NC=C1 098889 [1,0,0,0,0,0|1,0,2]=4 105 B6R1.1 C1=CC=NC=C1 106150 [1,0,0,0,0,0|1,0,2]=4 106 B6R1.1 C1=CC=NN=C1 079215 [1,0,0,0,0,0|2,0,1]=4 107 B6R1.1 C1=CCC=CC1 102018 [1,0,0,0,0,0|0,0,3]=4 108 B6R1.1 C1=CCCC=C1 123000 [1,0,0,0,0,0|0,0,1]=2 109 B6R1.1 C1=CCCCC1 094563 [1,0,0,0,0,0|0,0,1]=2 110 B6R1.1 C1=COCCC1 130700 [1,0,0,0,0,0|1,0,0]=2 111 B6R1.1 C1=NCCCN1 099043 [1,0,0,0,0,0|2,0,0]=3 112 B6R1.1 C1CCCCC1 046756 [1,0,0,0,0,0|0,0,3]=4 113 B6R1.1 C1CCCCC1 102944 [1,0,0,0,0,0|0,0,3]=4 114 B6R1.1 C1CCOCC1 005006 [1,0,0,0,0,0|1,0,2]=4 115 B6R1.1 C1CSCSC1 214605 [1,0,0,0,0,0|2,0,1]=4 116 B8R1.2 CC=C1CCCCC1 105541 [0,1,0,0,0,0|1,0,2]=4 117 B8R1.2 COC1=NCCCC1 008049 [0,1,0,0,0,0|1,0,2]=4 118 B8R1.2 O=CC1=CC=CN=C1 065202 [0,1,0,0,0,0|1,0,2]=4 119 B8R1.2 O=CC1=CC=NC=C1 091501 [0,1,0,0,0,0|1,0,2]=4 120 B8R1.2 O=CC1=CCCCC1 235736 [0,1,0,0,0,0|0,0,1]=2 121 B8R1.2 O=CC1=NC=CC=C1 065201 [0,1,0,0,0,0|1,0,2]=4 122 B8R1.2 O=CC1CCCCC1 050618 [0,1,0,0,0,0|0,0,3]=4 123 B8R1.2 O=CN1CCCCC1 208647 [0,1,0,0,0,0|1,0,2]=4 124 B8R1.2 O=NC1=CC=CC=C1 106182 [0,1,0,0,0,0|0,0,3]=4 125 B8R1.2 ON=C1CCCCC1 371936 [0,1,0,0,0,0|0,0,3]=4 126 B8R1.3 CC1=CNC(=O)C=C1 318707 [0,1,0,0,0,0|1,0,2]=4 127 B8R1.3 CC1=NNC(=O)C=C1 077719 [0,1,0,0,0,0|2,0,1]=4 128 B8R1.3 CC1=NNC(=O)CC1 068760 [0,1,0,0,0,0|2,0,1]=4 129 B8R1.3 CC1CCC(=O)CC1 241022 [0,1,0,0,0,0|0,0,2]=3 130 B8R1.3 CN1CCC(=O)CC1 078184 [0,1,0,0,0,0|1,0,2]=4 131 B8R1.3 CN1CCC(=O)CC1 105797 [0,1,0,0,0,0|1,0,2]=4 132 B8R1.3 O=C1C=CC(=O)C=C1 094629 [0,1,0,0,0,0|0,0,3]=4 133 B8R1.3 O=C1CCC(=O)CC1 078914 [0,1,0,0,0,0|0,0,3]=4 134 B8R1.3 O=C1CCC(O)CC1 069093 [0,1,0,0,0,0|0,0,2]=3 135 B8R1.3 O[C@H]1C=C[C@H](O)CC1 242022 [0,1,0,0,0,0|0,0,2]=3 136 B8R1.4 CC1=CC(=O)NC=C1 358401 [0,1,0,0,0,0|1,0,2]=4 137 B8R1.4 NC1=CC(=O)CCC1 011075 [0,1,0,0,0,0|0,0,0]=1 138 B8R1.4 O=C1C=C(Br)C=CN1 338416 [0,1,0,0,0,0|1,0,2]=4 139 B8R1.4 O=C1C=C(Cl)C=NN1 078020 [0,1,0,0,0,0|2,0,1]=4 140 B8R1.4 O=C1C=CNC(=O)N1 176400 [0,1,0,0,0,0|2,0,1]=4 141 B8R1.4 O=C1C=CNC(=S)N1 078506 [0,1,0,0,0,0|2,0,1]=4 142 B8R1.4 O=C1CCCC(=O)C1 078597 [0,1,0,0,0,0|0,0,1]=2 143 B8R1.4 O=C1CCCC(=O)N1 446406 [0,1,0,0,0,0|1,0,0]=2 144 B8R1.4 O=C1CCCC(=O)O1 044731 [0,1,0,0,0,0|1,0,0]=2 145 B8R1.4 O=C1CCNC(=O)C1 044088 [0,1,0,0,0,0|1,0,1]=3 146 B8R1.4 O=C1CCNC(=O)N1 319958 [0,1,0,0,0,0|2,0,0]=3 147 B8R1.4 O=C1CNCC(=O)N1 076673 [0,1,0,0,0,0|2,0,0]=3 148 B8R1.4 O=C1COCC(=O)N1 306406 [0,1,0,0,0,0|2,0,0]=3 149 B8R1.4 O=C1COCC(=O)O1 053467 [0,1,0,0,0,0|2,0,0]=3 150 B8R1.5 CC1=CC=CNC1=O 077668 [0,1,0,0,0,0|1,0,2]=4 151 B8R1.5 CC1CCCCC1=O 463405 [0,1,0,0,0,0|0,0,2]=3 152 B8R1.5 CN1C=CC=CC1=O 233629 [0,1,0,0,0,0|1,0,2]=4 153 B8R1.5 CN1CCCCC1=O 240152 [0,1,0,0,0,0|1,0,1]=3 154 B8R1.5 NC1CCCNC1=O 075567 [0,1,0,0,0,0|1,0,1]=3 155 B8R1.5 O=C1CCCCC1=O 123100 [0,1,0,0,0,0|0,0,1]=2 156 B8R1.5 O=C1CCCCC1Cl 235014 [0,1,0,0,0,0|0,0,2]=3 157 B8R1.72 O=S1(=O)CCCCO1 216438 [0,1,0,0,0,0|2,0,1]=4 158 B6R0.1 C#CC(=O)OCC 003001 [0,0,1,0,0,0|1,0,2]=4 159 B6R0.1 C=CC(=O)NCO 243116 [0,0,1,0,0,0|2,0,0]=3 160 B6R0.1 C=CC(=O)OCC 094594 [0,0,1,0,0,0|1,0,0]=2 161 B6R0.1 C=CC(O)CCC 241561 [0,0,1,0,0,0|0,0,2]=3 162 B6R0.1 C=CCC(=O)OC 513980 [0,0,1,0,0,0|1,0,2]=4 163 B6R0.1 C=COC(=O)CC 005111 [0,0,1,0,0,0|1,0,1]=3 164 B6R0.1 CC#CC(=O)OC 155800 [0,0,1,0,0,0|1,0,2]=4 165 B6R0.1 CCCC(=O)NN 018345 [0,0,1,0,0,0|2,0,0]=3 166 B6R0.1 CCCC(=O)OC 358407 [0,0,1,0,0,0|1,0,1]=3 167 B6R0.1 CCCC(C)C=O 520881 [0,0,1,0,0,0|2,0,1]=4 168 B6R0.1 CCNC(=O)CCl 069838 [0,0,1,0,0,0|2,0,1]=4 169 B6R0.1 CCNC(=O)CN 075036 [0,0,1,0,0,0|2,0,1]=4 170 B6R0.1 CCNC(=O)OC 104168 [0,0,1,0,0,0|2,0,1]=4 171 B6R0.1 CCOC(=O)C#N 046945 [0,0,1,0,0,0|2,0,1]=4 172 B6R0.1 CCOC(=O)C=O 079534 [0,0,1,0,0,0|2,0,0]=3 173 B6R0.1 CCOC(=O)CBr 006091 [0,0,1,0,0,0|2,0,1]=4 174 B6R0.1 CCOC(=O)CC 094652 [0,0,1,0,0,0|1,0,1]=3 175 B6R0.1 CCOC(=O)CCl 097784 [0,0,1,0,0,0|2,0,1]=4 176 B6R0.1 CCOC(=O)CF 019465 [0,0,1,0,0,0|2,0,1]=4 177 B6R0.1 CCOC(=O)CI 324768 [0,0,1,0,0,0|2,0,1]=4 178 B6R0.1 CCOC(=O)CN 094472 [0,0,1,0,0,0|2,0,1]=4 179 B6R0.1 CCOC(=O)CO 227697 [0,0,1,0,0,0|2,0,1]=4 180 B6R0.1 CCOC(=O)CS 099611 [0,0,1,0,0,0|2,0,1]=4 181 B6R0.1 CCOC(=O)NN 208618 [0,0,1,0,0,0|3,0,0]=4 182 B6R0.1 CC\C=C(/C)C=O 103302 [0,0,1,0,0,0|2,0,1]=4 183 B6R0.1 CNC(=O)CCBr 104783 [0,0,1,0,0,0|2,0,1]=4 184 B6R0.1 CNCC(=O)OC M03234 [0,0,1,0,0,0|2,0,1]=4 185 B6R0.1 COC(=O)CCBr 216315 [0,0,1,0,0,0|2,0,1]=4 186 B6R0.1 COC(=O)CCI 103108 [0,0,1,0,0,0|2,0,1]=4 187 B6R0.1 COC(=O)CCN 032703 [0,0,1,0,0,0|2,0,1]=4 188 B6R0.1 COC(=O)CCO 223297 [0,0,1,0,0,0|2,0,1]=4 189 B6R0.1 COC(=O)CCS 053164 [0,0,1,0,0,0|2,0,1]=4 190 B6R0.1 COC(=O)CSC 002978 [0,0,1,0,0,0|2,0,1]=4 191 B6R0.1 COC(=O)\C=C\[O-] 102950 [0,0,1,0,0,0|2,0,0]=3 192 B6R0.1 COCC(=O)NN 005975 [0,0,1,0,0,0|3,0,0]=4 193 B6R0.1 COCC(=O)OC 358440 [0,0,1,0,0,0|2,0,1]=4 194 B6R0.1 C\C=C\C(=O)OC 236942 [0,0,1,0,0,0|1,0,0]=2 195 B6R0.4 C#CCCC(=O)O 164204 [0,0,1,0,0,0|1,0,2]=4 196 B6R0.4 C(CC)=CC(=O)O 001396 [0,0,1,0,0,0|1,0,0]=2 197 B6R0.4 C=C(C)CNCC 098963 [0,0,1,0,0,0|2,0,1]=4 198 B6R0.4 C=CCCC(=O)O 002777 [0,0,1,0,0,0|1,0,1]=3 199 B6R0.4 C=CCCC(C)=O 358446 [0,0,1,0,0,0|0,0,2]=3 200 B6R0.4 C=CCNC(C)=O 103870 [0,0,1,0,0,0|1,0,2]=4 201 B6R0.4 C=CCOC(=O)Cl 099832 [0,0,1,0,0,0|2,0,1]=4 202 B6R0.4 C=CCOC(C)=O 099570 [0,0,1,0,0,0|1,0,2]=4 203 B6R0.4 CC(=O)CCCCl 326218 [0,0,1,0,0,0|1,0,1]=3 204 B6R0.4 CC(=O)CCCO 093373 [0,0,1,0,0,0|1,0,1]=3 205 B6R0.4 CC(=O)NCCN 226270 [0,0,1,0,0,0|2,0,1]=4 206 B6R0.4 CC(=O)NCCO 094790 [0,0,1,0,0,0|2,0,1]=4 207 B6R0.4 CC(=O)NCCS 106473 [0,0,1,0,0,0|2,0,1]=4 208 B6R0.4 CC(=O)OCCBr 024963 [0,0,1,0,0,0|2,0,1]=4 209 B6R0.4 CC(=O)OCCO 046708 [0,0,1,0,0,0|2,0,1]=4 210 B6R0.4 CCC#CC(=O)O 164200 [0,0,1,0,0,0|1,0,2]=4 211 B6R0.4 CCCCC(=O)Cl 099590 [0,0,1,0,0,0|1,0,1]=3 212 B6R0.4 CCCCC(=O)O 066625 [0,0,1,0,0,0|1,0,1]=3 213 B6R0.4 CCCCC(C)=O 098350 [0,0,1,0,0,0|0,0,2]=3 214 B6R0.4 CCCCC(N)=O 176500 [0,0,1,0,0,0|1,0,1]=3 215 B6R0.4 CCCNC(C)=O 099232 [0,0,1,0,0,0|1,0,1]=3 216 B6R0.4 CCCOC(C)=O 104128 [0,0,1,0,0,0|1,0,1]=3 217 B6R0.4 CCOCC(=O)O 461062 [0,0,1,0,0,0|2,0,1]=4 218 B6R0.4 CCSCC(=O)O 001760 [0,0,1,0,0,0|2,0,1]=4 219 B6R0.4 COCCC(=O)Cl 014676 [0,0,1,0,0,0|2,0,1]=4 220 B6R0.4 COCCC(=O)O 091199 [0,0,1,0,0,0|2,0,1]=4 221 B6R0.4 COCCC(N)=O 091205 [0,0,1,0,0,0|2,0,1]=4 222 B6R0.4 CO\C=C\C(C)=O 099154 [0,0,1,0,0,0|1,0,0]=2 223 B6R0.4 CSCCC(=O)O 013666 [0,0,1,0,0,0|2,0,1]=4 224 B6R0.4 NC(=O)NCCO 319865 [0,0,1,0,0,0|3,0,0]=4 225 B6R0.4 NC(=O)OCCCl 103494 [0,0,1,0,0,0|3,0,0]=4 226 B6R0.4 NCCCC(=O)O 005047 [0,0,1,0,0,0|2,0,0]=3 227 B6R0.4 NCCNC(N)=O 033079 [0,0,1,0,0,0|3,0,0]=4 228 B6R0.4 O=C(Cl)CCCBr 001349 [0,0,1,0,0,0|2,0,0]=3 229 B6R0.4 O=C(Cl)CCCCl 099540 [0,0,1,0,0,0|2,0,0]=3 230 B6R0.4 O=C(O)CCCBr 043390 [0,0,1,0,0,0|2,0,0]=3 231 B6R0.4 O=C([O-])CNCO 226097 [0,0,1,0,0,0|3,0,0]=4 232 B6R0.4 O=CCCC(=O)O 103323 [0,0,1,0,0,0|2,0,1]=4 233 B6R0.6 C=CCCCCBr 002415 [0,0,1,0,0,0|1,0,1]=3 234 B6R0.6 C=CCCCCBr 013446 [0,0,1,0,0,0|1,0,1]=3 235 B6R0.6 C=CCCCCCl 024635 [0,0,1,0,0,0|1,0,1]=3 236 B6R0.6 C=CCCCCI 103321 [0,0,1,0,0,0|1,0,1]=3 237 B6R0.6 C=CCCCCO 078461 [0,0,1,0,0,0|0,0,2]=3 238 B6R0.6 C=CCNCC=C 097633 [0,0,1,0,0,0|2,0,0]=3 239 B6R0.6 C=CCOCCO 099544 [0,0,1,0,0,0|1,0,2]=4 240 B6R0.6 C=CCSCC=C 002784 [0,0,1,0,0,0|2,0,0]=3 241 B6R0.6 C=COCCCC 106580 [0,0,1,0,0,0|2,0,1]=4 242 B6R0.6 CCCCCC=O 094968 [0,0,1,0,0,0|0,0,2]=3 243 B6R0.6 CCCCN=C=O 102722 [0,0,1,0,0,0|1,0,2]=4 244 B6R0.6 CCCCNC=O 103559 [0,0,1,0,0,0|1,0,1]=3 245 B6R0.6 CCC\C=C\C=O 098868 [0,0,1,0,0,0|0,0,0]=1 246 B6R0.6 CCO\C=C\C#N 106435 [0,0,1,0,0,0|2,0,1]=4 247 B6R0.6 CC\C=C/CCO 240925 [0,0,1,0,0,0|2,0,1]=4 248 B6R0.6 C\C=C\C=C\C=O 242913 [0,0,1,0,0,0|0,0,2]=3 249 B6R0.6 C\C=C\CCCO 433438 [0,0,1,0,0,0|2,0,1]=4 250 B6R0.6 O=CCCCCCl 238851 [0,0,1,0,0,0|1,0,1]=3 251 B8R2.34 C1=CC2CCC1C2 236981 [0,0,0,1,0,0|1,0,1]=3 252 B6R1.2 BrC1=CC=CO1 067357 [0,0,0,0,1,0|2,0,1]=4 253 B6R1.2 BrC1=CC=CS1 001055 [0,0,0,0,1,0|2,0,1]=4 254 B6R1.2 BrC1=COC=C1 013445 [0,0,0,0,1,0|2,0,1]=4 255 B6R1.2 BrC1=CSC=C1 003082 [0,0,0,0,1,0|2,0,1]=4 256 B6R1.2 BrC1=NNC=C1 079925 [0,0,0,0,1,0|3,0,0]=4 257 B6R1.2 BrC1CCCC1 021866 [0,0,0,0,1,0|1,0,2]=4 258 B6R1.2 CC1=CC=CN1 214609 [0,0,0,0,1,0|2,0,1]=4 259 B6R1.2 CC1=CC=CO1 463359 [0,0,0,0,1,0|2,0,1]=4 260 B6R1.2 CC1=CC=CS1 001209 [0,0,0,0,1,0|2,0,1]=4 261 B6R1.2 CC1=CCCC1 103763 [0,0,0,0,1,0|1,0,0]=2 262 B6R1.2 CC1=CSC=C1 003448 [0,0,0,0,1,0|2,0,1]=4 263 B6R1.2 CC1=NCCN1 103446 [0,0,0,0,1,0|3,0,0]=4 264 B6R1.2 CC1=NCCO1 099141 [0,0,0,0,1,0|3,0,0]=4 265 B6R1.2 CC1=NNC=C1 033183 [0,0,0,0,1,0|3,0,0]=4 266 B6R1.2 CC1CCCC1 101560 [0,0,0,0,1,0|1,0,2]=4 267 B6R1.2 CC1CCCO1 094054 [0,0,0,0,1,0|2,0,1]=4 268 B6R1.2 CN1CCCC1 046845 [0,0,0,0,1,0|2,0,1]=4 269 B6R1.2 ClC1=CC=CS1 002954 [0,0,0,0,1,0|2,0,1]=4 270 B6R1.2 ClC1=CSC=C1 001747 [0,0,0,0,1,0|2,0,1]=4 271 B6R1.2 ClC1CCCC1 098808 [0,0,0,0,1,0|1,0,2]=4 272 B6R1.2 IC1=CC=CS1 001058 [0,0,0,0,1,0|2,0,1]=4 273 B6R1.2 IC1=CSC=C1 079489 [0,0,0,0,1,0|2,0,1]=4 274 B6R1.2 IC1=NNC=C1 046994 [0,0,0,0,1,0|3,0,0]=4 275 B6R1.2 IC1CCCC1 097746 [0,0,0,0,1,0|1,0,2]=4 276 B6R1.2 NC1=CSC=C1 049735 [0,0,0,0,1,0|2,0,1]=4 277 B6R1.2 NC1=NCCS1 018191 [0,0,0,0,1,0|3,0,0]=4 278 B6R1.2 NC1=NCCS1 995255 [0,0,0,0,1,0|3,0,0]=4 279 B6R1.2 NC1=NNC=C1 035587 [0,0,0,0,1,0|3,0,0]=4 280 B6R1.2 NC1=NOC=C1 064896 [0,0,0,0,1,0|3,0,0]=4 281 B6R1.2 NC1CCCC1 049405 [0,0,0,0,1,0|1,0,2]=4 282 B6R1.2 O=C1C=CCC1 049816 [0,0,0,0,1,0|0,0,0]=1 283 B6R1.2 O=C1C=CCO1 095003 [0,0,0,0,1,0|1,0,0]=2 284 B6R1.2 O=C1CCCC1 044205 [0,0,0,0,1,0|0,0,1]=2 285 B6R1.2 O=C1CCCN1 095374 [0,0,0,0,1,0|1,0,0]=2 286 B6R1.2 O=C1CCCN1 098215 [0,0,0,0,1,0|1,0,0]=2 287 B6R1.2 O=C1CCNC1 078709 [0,0,0,0,1,0|1,0,1]=3 288 B6R1.2 O=C1CCNN1 092652 [0,0,0,0,1,0|2,0,0]=3 289 B6R1.2 O=C1CCOC1 076836 [0,0,0,0,1,0|1,0,1]=3 290 B6R1.2 O=C1CCSC1 214765 [0,0,0,0,1,0|1,0,1]=3 291 B6R1.2 O=C1CNCN1 079854 [0,0,0,0,1,0|2,0,0]=3 292 B6R1.2 O=C1CS[Ca]O1 095807 [0,0,0,0,1,0|3,0,0]=4 293 B6R1.2 O=C1NCCN1 078654 [0,0,0,0,1,0|2,0,0]=3 294 B6R1.2 O=C1NCCO1 216566 [0,0,0,0,1,0|2,0,0]=3 295 B6R1.2 O=C1NCCS1 215692 [0,0,0,0,1,0|2,0,0]=3 296 B6R1.2 O=C1OCCO1 094510 [0,0,0,0,1,0|2,0,0]=3 297 B6R1.2 O=S1CCCC1 001093 [0,0,0,0,1,0|1,0,1]=3 298 B6R1.2 OC1CCCC1 044840 [0,0,0,0,1,0|0,0,3]=4 299 B6R1.2 S=C1NCCN1 099092 [0,0,0,0,1,0|2,1,0]=4 300 B6R1.2 S=C1NCCS1 038194 [0,0,0,0,1,0|2,1,0]=4 301 B6R1.2 SC1=CC=CS1 018767 [0,0,0,0,1,0|1,1,1]=4 302 B6R1.2 SC1CCCC1 075248 [0,0,0,0,1,0|0,1,2]=4 303 B8R1.22 O=C1C=CCCCC1 208633 [0,0,0,0,0,1|0,0,0]=1 304 B8R1.22 O=C1CCCCCC1 098940 [0,0,0,0,0,1|0,0,2]=3 305 B8R1.22 O=C1CCCCCN1 102927 [0,0,0,0,0,1|0,0,2]=3 306 B8R1.22 O=C1CCCCCO1 094875 [0,0,0,0,0,1|0,0,2]=3 307 B8R1.22 O=C1CCNCCN1 011670 [0,0,0,0,0,1|1,0,1]=3 308 B8R1.22 S=C1CCCCCN1 099229 [0,0,0,0,0,1|0,1,2]=4 309 B5R0.1 C=C(C)CCBr 223736 [1,0,1,0,0,0|2,0,0]=4 310 B5R0.1 C=C(C)CCO 358461 [1,0,1,0,0,0|2,0,0]=4 311 B5R0.1 C=C(C)OCC 471668 [1,0,1,0,0,0|2,0,0]=4 312 B5R0.1 C=COC(C)=O 098012 [1,0,1,0,0,0|1,0,1]=4 313 B5R0.1 CC(=O)CCCl 069833 [1,0,1,0,0,0|1,0,1]=4 314 B5R0.1 CC(=O)CCO 358442 [1,0,1,0,0,0|1,0,1]=4 315 B5R0.1 CC(=O)NCO 430081 [1,0,1,0,0,0|2,0,0]=4 316 B5R0.1 CC(C)=CC=O 386384 [1,0,1,0,0,0|2,0,0]=4 317 B5R0.1 CC(C)=CCBr 053316 [1,0,1,0,0,0|2,0,0]=4 318 B5R0.1 CC(C)=CCCl 349314 [1,0,1,0,0,0|2,0,0]=4 319 B5R0.1 CC(C)=CCO 358414 [1,0,1,0,0,0|2,0,0]=4 320 B5R0.1 CCCC(=O)Cl 098879 [1,0,1,0,0,0|1,0,0]=3 321 B5R0.1 CCCC(=O)O 102473 [1,0,1,0,0,0|1,0,0]=3 322 B5R0.1 CCCC(N)=O 356018 [1,0,1,0,0,0|1,0,0]=3 323 B5R0.1 CCC[N+](=O)[O-] 520877 [1,0,1,0,0,0|2,0,0]=4 324 B5R0.1 CCOC(=O)Cl 099901 [1,0,1,0,0,0|2,0,0]=4 325 B5R0.1 CCOC(C)=N 239394 [1,0,1,0,0,0|2,0,0]=4 326 B5R0.1 CCOC(C)=O 035909 [1,0,1,0,0,0|1,0,0]=3 327 B5R0.1 CCOC(C)=O 099553 [1,0,1,0,0,0|1,0,0]=3 328 B5R0.1 CCOC(C)=O 099895 [1,0,1,0,0,0|1,0,0]=3 329 B5R0.1 CCOC(N)=O 099367 [1,0,1,0,0,0|2,0,0]=4 330 B5R0.1 CNCC(=O)O 095119 [1,0,1,0,0,0|2,0,0]=4 331 B5R0.1 COCC(=O)Cl 053542 [1,0,1,0,0,0|2,0,0]=4 332 B5R0.1 COCC(=O)O 237785 [1,0,1,0,0,0|2,0,0]=4 333 B5R0.1 COCC(C)=O 002450 [1,0,1,0,0,0|1,0,1]=4 334 B5R0.1 CSCC(=O)O 010416 [1,0,1,0,0,0|2,0,0]=4 335 B5R0.1 CSCC(N)=O 092321 [1,0,1,0,0,0|2,0,0]=4 336 B5R0.1 C\C=C\C(=O)Cl 358246 [1,0,1,0,0,0|1,0,0]=3 337 B5R0.1 C\C=C\C(=O)O 092792 [1,0,1,0,0,0|1,0,0]=3 338 B5R0.1 NC(=O)CCBr 456436 [1,0,1,0,0,0|2,0,0]=4 339 B5R0.1 NC(=O)CCCl 180018 [1,0,1,0,0,0|2,0,0]=4 340 B5R0.1 NCCC(=O)O 044720 [1,0,1,0,0,0|2,0,0]=4 341 B5R0.1 NCCC(N)=O 221578 [1,0,1,0,0,0|2,0,0]=4 342 B5R0.1 O=C(Cl)CCBr 104627 [1,0,1,0,0,0|2,0,0]=4 343 B5R0.1 O=C(Cl)CCCl 095162 [1,0,1,0,0,0|2,0,0]=4 344 B5R0.1 O=C(O)CCBr 003025 [1,0,1,0,0,0|2,0,0]=4 345 B5R0.1 O=C(O)CCCl 242740 [1,0,1,0,0,0|2,0,0]=4 346 B5R0.1 O=C(O)CCI 003069 [1,0,1,0,0,0|2,0,0]=4 347 B5R0.1 O=C(O)CCO 147100 [1,0,1,0,0,0|2,0,0]=4 348 B5R0.1 O=C(O)CCS 094485 [1,0,1,0,0,0|2,0,0]=4 349 B5R0.2 C=CCCC#N 013686 [1,0,1,0,0,0|1,0,1]=4 350 B5R0.2 C=CCCC=C 106336 [1,0,1,0,0,0|0,0,1]=3 351 B5R0.2 C=CCCCBr 013455 [1,0,1,0,0,0|1,0,0]=3 352 B5R0.2 C=CCCCC 098845 [1,0,1,0,0,0|0,0,1]=3 353 B5R0.2 C=CCCCI 103315 [1,0,1,0,0,0|1,0,0]=3 354 B5R0.2 C=CCCCO 164000 [1,0,1,0,0,0|0,0,1]=3 355 B5R0.2 C=CCCNC 104185 [1,0,1,0,0,0|1,0,1]=4 356 B5R0.2 C=CCNC=O 065354 [1,0,1,0,0,0|1,0,0]=3 357 B5R0.2 C=COCCO 463043 [1,0,1,0,0,0|1,0,1]=4 358 B5R0.2 CCCCC=O 094967 [1,0,1,0,0,0|0,0,1]=3 359 B5R0.2 CCCCC=O 106333 [1,0,1,0,0,0|0,0,1]=3 360 B5R0.2 CCC\C=N\O 099610 [1,0,1,0,0,0|1,0,1]=4 361 B5R0.2 CC\C=C/CO 386381 [1,0,1,0,0,0|0,0,2]=4 362 B5R0.2 CC\C=C\C=O 466581 [1,0,1,0,0,0|0,0,0]=2 363 B5R0.2 CC\C=C\CBr 106316 [1,0,1,0,0,0|1,0,1]=4 364 B5R0.2 CSCCC=O 103329 [1,0,1,0,0,0|1,0,1]=4 365 B5R0.2 C\C=C\C=C\C 046824 [1,0,1,0,0,0|0,0,1]=3 366 B5R0.2 C\C=C\OCC 103024 [1,0,1,0,0,0|1,0,0]=3 367 B5R0.3 C=CC(=O)NN 094243 [1,0,1,0,0,0|2,0,0]=4 368 B5R0.3 C=CC(=O)OC 520477 [1,0,1,0,0,0|1,0,0]=3 369 B5R0.3 C=CC(O)CC 464567 [1,0,1,0,0,0|0,0,2]=4 370 B5R0.3 CCC(=O)CBr 002514 [1,0,1,0,0,0|1,0,1]=4 371 B5R0.3 CCC(=O)CC 094591 [1,0,1,0,0,0|0,0,1]=3 372 B5R0.3 CCC(=O)NC 103047 [1,0,1,0,0,0|1,0,0]=3 373 B5R0.3 CCC(=O)NN 026652 [1,0,1,0,0,0|2,0,0]=4 374 B5R0.3 CCS(=O)CC 094782 [1,0,1,0,0,0|1,0,1]=4 375 B5R0.3 CNC(=O)CBr 043828 [1,0,1,0,0,0|2,0,0]=4 376 B5R0.3 CNC(=O)CCl 094091 [1,0,1,0,0,0|2,0,0]=4 377 B5R0.3 CNC(=O)CN 075035 [1,0,1,0,0,0|2,0,0]=4 378 B5R0.3 CNC(=O)NC 358273 [1,0,1,0,0,0|2,0,0]=4 379 B5R0.3 COC(=O)CBr 006774 [1,0,1,0,0,0|2,0,0]=4 380 B5R0.3 COC(=O)CCl 095344 [1,0,1,0,0,0|2,0,0]=4 381 B5R0.3 COC(=O)CI 103193 [1,0,1,0,0,0|2,0,0]=4 382 B5R0.3 COC(=O)CN M03021 [1,0,1,0,0,0|2,0,0]=4 383 B5R0.3 COC(=O)CO 227696 [1,0,1,0,0,0|2,0,0]=4 384 B5R0.3 COC(=O)CS 011917 [1,0,1,0,0,0|2,0,0]=4 385 B5R0.3 COC(=O)OC 094559 [1,0,1,0,0,0|2,0,0]=4 386 B7R0.2 C=CC(=O)NC(C)C 046835 [0,1,1,0,0,0|1,0,0]=3 387 B7R0.2 CNC(=O)CC(C)=O 240984 [0,1,1,0,0,0|1,0,1]=4 388 B7R0.2 COC(=O)C=C(C)C 358413 [0,1,1,0,0,0|1,0,0]=3 389 B7R0.2 COC(=O)CC(C)=O 094497 [0,1,1,0,0,0|1,0,1]=4 390 B7R0.2 COC(=O)CC(C)C 046834 [0,1,1,0,0,0|1,0,1]=4 391 B7R0.2 COC(=O)C[C@@H](C)O 079225 [0,1,1,0,0,0|1,0,1]=4 392 B7R0.2 COC(=O)C[C@H](C)O 208678 [0,1,1,0,0,0|1,0,1]=4 393 B7R0.2 COC(=O)\C=C(\C)N 078507 [0,1,1,0,0,0|1,0,0]=3 394 B7R0.3 C#CCOC(=O)C=C 167100 [0,1,1,0,0,0|0,0,2]=4 395 B7R0.3 C=CC(=O)NCCN 362041 [0,1,1,0,0,0|1,0,0]=3 396 B7R0.3 CCC(=O)NCCO 402339 [0,1,1,0,0,0|1,0,1]=4 397 B7R0.3 CCCCC(=O)OC 103432 [0,1,1,0,0,0|1,0,1]=4 398 B7R0.3 CCSCC(=O)OC 094646 [0,1,1,0,0,0|1,0,1]=4 399 B7R0.3 CC\C=C\C(=O)OC 011184 [0,1,1,0,0,0|1,0,0]=3 400 B7R0.3 COC(=O)CCCBr 214657 [0,1,1,0,0,0|1,0,1]=4 401 B7R0.3 COC(=O)CCCCl 386752 [0,1,1,0,0,0|1,0,1]=4 402 B7R0.3 COC(=O)CCCI 336691 [0,1,1,0,0,0|1,0,1]=4 403 B7R0.3 COC(=O)CCCN 009954 [0,1,1,0,0,0|1,0,1]=4 404 B7R0.3 COC(=O)\C=C\CBr 049963 [0,1,1,0,0,0|1,0,0]=3 405 B7R0.3 COCCC(=O)NN 019318 [0,1,1,0,0,0|2,0,0]=4 406 B7R0.3 COCCC(=O)OC 349308 [0,1,1,0,0,0|1,0,1]=4 407 B7R0.3 CO\C=C\C(=O)OC 208663 [0,1,1,0,0,0|1,0,0]=3 408 B7R0.3 C\C=C\CC(=O)OC 099391 [0,1,1,0,0,0|1,0,0]=3 409 B7R0.3 NNC(=O)CCCO 368041 [0,1,1,0,0,0|2,0,0]=4 410 B7R0.5 C=C(C)C(=O)OCC 098938 [0,1,1,0,0,0|1,0,0]=3 411 B7R0.5 CCCC(=O)C(C)=O 099591 [0,1,1,0,0,0|0,0,1]=3 412 B7R0.5 CCOC(=O)C(=O)Cl 024489 [0,1,1,0,0,0|2,0,0]=4 413 B7R0.5 CCOC(=O)C(C)=O 033125 [0,1,1,0,0,0|1,0,1]=4 414 B7R0.5 CCOC(=O)C(C)Br 006095 [0,1,1,0,0,0|1,0,1]=4 415 B7R0.5 CCOC(=O)C(C)C 094936 [0,1,1,0,0,0|1,0,1]=4 416 B7R0.5 CCOC(=O)C(C)Cl 098895 [0,1,1,0,0,0|1,0,1]=4 417 B7R0.5 CCOC(=O)C(C)F 038173 [0,1,1,0,0,0|1,0,1]=4 418 B7R0.5 CCOC(=O)C(C)N 003681 [0,1,1,0,0,0|1,0,1]=4 419 B7R0.5 CCOC(=O)C(C)S 101529 [0,1,1,0,0,0|1,0,1]=4 420 B7R0.5 CCOC(=O)C(N)=O 221464 [0,1,1,0,0,0|2,0,0]=4 421 B7R0.5 CCOC(=O)C(N)=S 078641 [0,1,1,0,0,0|2,0,0]=4 422 B7R0.5 CCOC(=O)[C@H](C)N 003682 [0,1,1,0,0,0|1,0,1]=4 423 B7R0.5 CCOC(=O)[C@H](C)O 095008 [0,1,1,0,0,0|1,0,1]=4 424 B7R0.7 C=COC(=O)CCC 005032 [0,1,1,0,0,0|0,0,0]=2 425 B7R0.7 CC#CC(=O)OCC 095163 [0,1,1,0,0,0|0,0,2]=4 426 B7R0.7 CCNC(=O)OCC 106284 [0,1,1,0,0,0|1,0,1]=4 427 B7R0.7 CCOC(=O)C=[N+]=[N-] 520479 [0,1,1,0,0,0|2,0,0]=4 428 B7R0.7 CCOC(=O)CCBr 225998 [0,1,1,0,0,0|1,0,1]=4 429 B7R0.7 CCOC(=O)CCI 078702 [0,1,1,0,0,0|1,0,1]=4 430 B7R0.7 CCOC(=O)CCN 002479 [0,1,1,0,0,0|1,0,1]=4 431 B7R0.7 CCOC(=O)CNC 221430 [0,1,1,0,0,0|1,0,1]=4 432 B7R0.7 CCOC(=O)COC 013938 [0,1,1,0,0,0|1,0,1]=4 433 B7R0.7 CCOC(=O)CSC 449224 [0,1,1,0,0,0|1,0,1]=4 434 B7R0.7 CCOC(=O)OCC 094694 [0,1,1,0,0,0|1,0,1]=4 435 B7R0.7 C\C=C\C(=O)OCC 098555 [0,1,1,0,0,0|0,0,0]=2 436 B7R0.10 CCC(=O)C(=O)CC 464571 [0,1,1,0,0,0|0,0,1]=3 437 B7R0.10 CCC(=O)N(C)OC 306492 [0,1,1,0,0,0|2,0,0]=4 438 B7R0.10 CCC(Br)C(=O)OC 006777 [0,1,1,0,0,0|1,0,1]=4 439 B7R0.10 CCC(C)C(=O)NC 102997 [0,1,1,0,0,0|1,0,1]=4 440 B7R0.10 CCC(C)C(=O)OC 035885 [0,1,1,0,0,0|1,0,1]=4 441 B7R0.10 CCC(N)C(=O)OC 241817 [0,1,1,0,0,0|1,0,1]=4 442 B7R0.10 COC(=O)C(=O)CBr 214615 [0,1,1,0,0,0|2,0,0]=4 443 B7R0.10 COC(=O)C(=O)OC 094727 [0,1,1,0,0,0|2,0,0]=4 444 B7R0.10 C\C=C(/C)C(=O)OC 099352 [0,1,1,0,0,0|1,0,0]=3 445 B7R0.4 C#CCCCC(=O)O 145705 [0,1,1,0,0,0|1,0,1]=4 446 B7R0.4 C=CCCCC(=O)O 200742 [0,1,1,0,0,0|1,0,0]=3 447 B7R0.4 C=CCNCC(=O)O 040171 [0,1,1,0,0,0|1,0,1]=4 448 B7R0.4 CC(=O)CCCC#N 095045 [0,1,1,0,0,0|0,0,2]=4 449 B7R0.4 CC(=O)CCCCCl 240931 [0,1,1,0,0,0|0,0,2]=4 450 B7R0.4 CCCCCC(=O)Cl 099325 [0,1,1,0,0,0|1,0,1]=4 451 B7R0.4 CCCCCC(=O)O 066626 [0,1,1,0,0,0|1,0,1]=4 452 B7R0.4 CCCCCC(C)=O 104307 [0,1,1,0,0,0|0,0,2]=4 453 B7R0.4 CCCCNC(C)=O 103568 [0,1,1,0,0,0|0,0,2]=4 454 B7R0.4 CCCCOC(C)=O 098991 [0,1,1,0,0,0|0,0,2]=4 455 B7R0.4 CCCCOC(C)=O 102158 [0,1,1,0,0,0|0,0,2]=4 456 B7R0.4 CCCSCC(=O)O 311047 [0,1,1,0,0,0|1,0,1]=4 457 B7R0.4 CCC\C=C\C(=O)O 002797 [0,1,1,0,0,0|1,0,0]=3 458 B7R0.4 C\C=C\C=C\C(=O)O 104773 [0,1,1,0,0,0|1,0,1]=4 459 B7R0.4 NCCCCC(=O)O 226047 [0,1,1,0,0,0|1,0,1]=4 460 B7R0.4 NCCOCC(=O)O 046334 [0,1,1,0,0,0|2,0,0]=4 461 B7R0.4 O=C(Cl)CCCCBr 018324 [0,1,1,0,0,0|1,0,1]=4 462 B7R0.4 O=C(Cl)CCCCCl 013899 [0,1,1,0,0,0|1,0,1]=4 463 B7R0.4 O=C(O)CCCCBr 075266 [0,1,1,0,0,0|1,0,1]=4 464 B7R0.6 CC(=O)CCC(C)C 106440 [0,1,1,0,0,0|0,0,2]=4 465 B7R0.6 CC(=O)NCC(C)C 103683 [0,1,1,0,0,0|1,0,1]=4 466 B7R0.6 CC(=O)OCC(C)C 095004 [0,1,1,0,0,0|1,0,1]=4 467 B7R0.6 CC(=O)\C=C\N(C)C 106573 [0,1,1,0,0,0|1,0,0]=3 468 B7R0.6 CC(C)=CC=C(C)C 078040 [0,1,1,0,0,0|1,0,1]=4 469 B7R0.6 CC(C)\C=C\C(=O)O 011183 [0,1,1,0,0,0|1,0,0]=3 470 B7R0.1 C=CCCCCC=C 099644 [0,1,1,0,0,0|1,0,0]=3 471 B7R0.1 C=CCCCCCBr 043892 [0,1,1,0,0,0|1,0,1]=4 472 B7R0.1 C=CCCCCCC 200048 [0,1,1,0,0,0|1,0,1]=4 473 B7R0.1 C=CCCCCCI 103485 [0,1,1,0,0,0|1,0,1]=4 474 B7R0.1 C=CCCCCNC 036092 [0,1,1,0,0,0|1,0,1]=4 475 B7R0.1 CCCCCCC=O 520883 [0,1,1,0,0,0|0,0,2]=4 476 B7R0.1 CCCC\C=C\C=O 240980 [0,1,1,0,0,0|0,0,0]=2 477 B7R0.1 CC\C=C\C=C\C=O 242611 [0,1,1,0,0,0|0,0,1]=3 478 B7R0.1 O=COCCOC=O 069885 [0,1,1,0,0,0|2,0,0]=4 479 B7R1.1 C(=O)C1=CC=CS1 003419 [0,1,0,0,1,0|1,0,1]=4 480 B7R1.1 C(=O)N1CCCC1 341911 [0,1,0,0,1,0|1,0,1]=4 481 B7R1.1 COC1=NCCC1 008046 [0,1,0,0,1,0|1,0,1]=4 482 B7R1.1 N#CC1=CCCC1 069858 [0,1,0,0,1,0|1,0,0]=3 483 B7R1.1 O=CC1=CC=CN1 043867 [0,1,0,0,1,0|1,0,1]=4 484 B7R1.1 O=CC1=CC=CO1 053252 [0,1,0,0,1,0|1,0,1]=4 485 B7R1.1 O=CC1=CC=CO1 104085 [0,1,0,0,1,0|1,0,1]=4 486 B7R1.1 O=CC1=CC=NN1 046433 [0,1,0,0,1,0|2,0,0]=4 487 B7R1.1 O=CC1=CSC=C1 045073 [0,1,0,0,1,0|1,0,1]=4 488 B7R1.1 ON=C1CCCC1 227999 [0,1,0,0,1,0|0,0,2]=4 489 B7R1.2 CC1=CC(=O)CC1 078668 [0,1,0,0,1,0|0,0,0]=2 490 B7R1.2 CC1=CCC(=O)O1 098871 [0,1,0,0,1,0|1,0,1]=4 491 B7R1.2 CC1=CCC(=O)O1 107050 [0,1,0,0,1,0|1,0,1]=4 492 B7R1.2 CC1CCC(=O)N1 232918 [0,1,0,0,1,0|1,0,0]=3 493 B7R1.2 CC1CCC(=O)O1 243089 [0,1,0,0,1,0|1,0,0]=3 494 B7R1.2 CC1COC(=O)O1 044922 [0,1,0,0,1,0|2,0,0]=4 495 B7R1.2 C[C@@H]1COC(=O)O1 237778 [0,1,0,0,1,0|2,0,0]=4 496 B7R1.2 N=C1NC(=O)CS1 013701 [0,1,0,0,1,0|2,0,0]=4 497 B7R1.2 NC1=NCC(=O)N1 234392 [0,1,0,0,1,0|2,0,0]=4 498 B7R1.2 O=C1C=CC(=O)N1 011793 [0,1,0,0,1,0|1,0,1]=4 499 B7R1.2 O=C1C=CC(=O)O1 101524 [0,1,0,0,1,0|1,0,1]=4 500 B7R1.2 O=C1C=CC(=O)O1 241019 [0,1,0,0,1,0|1,0,1]=4 501 B7R1.2 O=C1CCC(=O)C1 024257 [0,1,0,0,1,0|0,0,1]=3 502 B7R1.2 O=C1CCC(=O)N1 095806 [0,1,0,0,1,0|1,0,0]=3 503 B7R1.2 O=C1CCC(=O)O1 339548 [0,1,0,0,1,0|1,0,0]=3 504 B7R1.2 O=C1CNC(=O)N1 358212 [0,1,0,0,1,0|2,0,0]=4 505 B7R1.2 O=C1CNC(=S)N1 069068 [0,1,0,0,1,0|2,0,0]=4 506 B7R1.2 O=C1CSC(=O)N1 045213 [0,1,0,0,1,0|2,0,0]=4 507 B7R1.2 O=C1CSC(=S)N1 068610 [0,1,0,0,1,0|2,0,0]=4 508 B7R1.2 O=C1C[C@@H](O)CN1 047704 [0,1,0,0,1,0|1,0,0]=3 509 B7R1.2 O=C1C[C@H](O)CN1 093766 [0,1,0,0,1,0|1,0,0]=3 510 B7R1.2 O=C1OCC(F)O1 098380 [0,1,0,0,1,0|2,0,0]=4 511 B7R1.2 O[C@@H]1C=C[C@H](O)C1 501741 [0,1,0,0,1,0|0,0,2]=4 512 B7R1.4 CC1CCCC1=O 217631 [0,1,0,0,1,0|0,0,1]=3 513 B7R1.4 CC1CCOC1=O 092467 [0,1,0,0,1,0|1,0,0]=3 514 B7R1.4 CN1CCCC1=O 035918 [0,1,0,0,1,0|1,0,0]=3 515 B7R1.4 CN1CCCC1=O 041934 [0,1,0,0,1,0|1,0,0]=3 516 B7R1.4 CN1CCCC1=S 180035 [0,1,0,0,1,0|1,1,0]=4 517 B7R1.4 CN1CCNC1=O 091683 [0,1,0,0,1,0|2,0,0]=4 518 B7R1.4 NC1CCNC1=O 047644 [0,1,0,0,1,0|1,0,0]=3 519 B7R1.4 NC1CCOC1=O 432676 [0,1,0,0,1,0|1,0,0]=3 520 B7R1.4 N[C@H]1CCOC1=O 078519 [0,1,0,0,1,0|1,0,0]=3 521 B7R1.4 O=C1NCCC1O 093757 [0,1,0,0,1,0|1,0,0]=3 522 B7R1.14 O=S1(=O)CCCC1 044698 [0,1,0,0,1,0|1,0,1]=4 523 B7R1.14 O=S1(=O)CCCC1 102836 [0,1,0,0,1,0|1,0,1]=4 524 B7R1.14 O=S1(=O)CCCO1 047727 [0,1,0,0,1,0|2,0,0]=4 525 B9R1.5 NC1CCCCNC1=O 011374 [0,1,0,0,0,1|0,0,2]=4 526 B9R1.5 N[C@@H]1CCCCNC1=O 034333 [0,1,0,0,0,1|0,0,2]=4 527 B9R1.5 N[C@H]1CCCCNC1=O 011373 [0,1,0,0,0,1|0,0,2]=4 528 B9R1.49 CN1CCCC(=O)CC1 069080 [0,1,0,0,0,1|0,0,2]=4 529 B9R1.1 CCC1CCC(=O)CC1 078867 [0,2,0,0,0,0|0,0,2]=4 530 B9R1.1 COC1CCC(=O)CC1 043424 [0,2,0,0,0,0|0,0,2]=4 531 B9R1.6 O=C(O)C1=CCNCC1 041827 [0,2,0,0,0,0|1,0,1]=4 532 B9R1.6 OB(O)C1=CCCCC1 050389 [0,2,0,0,0,0|0,0,2]=4 533 B9R1.8 N#CCC1=CCCCC1 001063 [0,2,0,0,0,0|1,0,1]=4 534 B9R1.8 NCCC1=CCCCC1 233674 [0,2,0,0,0,0|1,0,1]=4 535 B9R1.15 N#CC1CCCCC1=O 023580 [0,2,0,0,0,0|0,0,2]=4 536 B9R1.10 CC1(C)C=CC(=O)CC1 013544 [0,2,0,0,0,0|0,0,0]=2 537 B9R1.10 CC1(C)CCC(=O)CC1 077611 [0,2,0,0,0,0|0,0,2]=4 538 B9R1.10 O=C1CCC(F)(F)CC1 044463 [0,2,0,0,0,0|0,0,2]=4 539 B9R1.69 CC1CCC(=O)CC1C 474237 [0,2,0,0,0,0|0,0,2]=4 540 B9R1.69 NC1CCC(=O)NC1=O 078697 [0,2,0,0,0,0|1,0,0]=3 541 B9R1.3 CC1C(=O)CCCC1=O 050104 [0,2,0,0,0,0|0,0,1]=3 542 B9R1.3 CC1CCCC(C)C1=O 493733 [0,2,0,0,0,0|0,0,2]=4 543 B9R1.34 CC1CC(=O)CC(=O)C1 011195 [0,2,0,0,0,0|0,0,1]=3 544 B9R1.34 CC1CC(=O)OC(=O)C1 358400 [0,2,0,0,0,0|1,0,0]=3 545 B9R1.34 CN1CC(=O)OC(=O)C1 245515 [0,2,0,0,0,0|2,0,0]=4 546 B9R1.40 CC1(C)CCCCC1=O 049771 [0,2,0,0,0,0|0,0,2]=4 547 B7R1.22 CNC(=O)C1CC1 527999 [0,0,1,1,0,0|1,0,1]=4 548 B7R1.22 COC(=O)C1CC1 022090 [0,0,1,1,0,0|1,0,1]=4 549 B7R1.22 NNC(=O)C1CC1 026730 [0,0,1,1,0,0|2,0,0]=4 550 B7R1.22 O=C(CBr)C1CC1 064670 [0,0,1,1,0,0|1,0,1]=4 551 B7R1.18 CC(=O)C1CCC1 513334 [0,0,1,1,0,0|0,0,2]=4 552 B7R1.18 NC(=O)C1CCC1 243268 [0,0,1,1,0,0|1,0,1]=4 553 B7R1.18 O=C(Cl)C1CCC1 009110 [0,0,1,1,0,0|1,0,1]=4 554 B7R1.18 O=C(O)C1CCC1 003366 [0,0,1,1,0,0|1,0,1]=4 555 B7R1.18 O=C(O)C1CCN1 047646 [0,0,1,1,0,0|2,0,0]=4 556 B7R1.20 CC(=O)NC1CC1 103802 [0,0,1,1,0,0|1,0,1]=4 557 B7R1.20 O=C(O)CC1CC1 003710 [0,0,1,1,0,0|1,0,1]=4 558 B9R2.7 O=C1CC2C=CCC12 036952 [0,0,0,1,0,1|0,0,2]=4 559 B9R2.109 O=C1CCCC2OC12 329460 [0,0,0,1,0,1|0,0,2]=4 560 B9R2.39 O=C1CC2CCC1C2 463393 [0,1,0,1,0,0|0,0,2]=4 561 B5R1.1 C1=CCCC1 520876 [1,0,0,0,1,0|0,0,0]=2 562 B5R1.1 C1=CCNC1 013932 [1,0,0,0,1,0|1,0,0]=3 563 B5R1.1 C1=CNC=C1 034290 [1,0,0,0,1,0|1,0,1]=4 564 B5R1.1 C1=CNN=C1 032730 [1,0,0,0,1,0|2,0,0]=4 565 B5R1.1 C1=COC=C1 098439 [1,0,0,0,1,0|1,0,1]=4 566 B5R1.1 C1=COCC1 051266 [1,0,0,0,1,0|1,0,0]=3 567 B5R1.1 C1=CON=C1 076552 [1,0,0,0,1,0|2,0,0]=4 568 B5R1.1 C1=CSC=C1 032744 [1,0,0,0,1,0|1,0,1]=4 569 B5R1.1 C1=CSN=C1 046382 [1,0,0,0,1,0|2,0,0]=4 570 B5R1.1 C1CCNC1 080281 [1,0,0,0,1,0|1,0,1]=4 571 B5R1.1 C1CCOC1 035914 [1,0,0,0,1,0|1,0,1]=4 572 B5R1.1 C1CCOC1 044988 [1,0,0,0,1,0|1,0,1]=4 573 B5R1.1 C1CCOC1 046883 [1,0,0,0,1,0|1,0,1]=4 574 B5R1.1 C1CCOC1 099898 [1,0,0,0,1,0|1,0,1]=4 575 B5R1.1 C1CCOC1 102161 [1,0,0,0,1,0|1,0,1]=4 576 B5R1.1 C1CCOC1 103783 [1,0,0,0,1,0|1,0,1]=4 577 B5R1.1 C1CCOC1 104382 [1,0,0,0,1,0|1,0,1]=4 578 B5R1.1 C1CCOC1 105576 [1,0,0,0,1,0|1,0,1]=4 579 B5R1.1 C1CCOC1 105743 [1,0,0,0,1,0|1,0,1]=4 580 B5R1.1 C1CCSC1 019455 [1,0,0,0,1,0|1,0,1]=4 581 B5R1.2 NC1CCC1 003370 [0,0,0,0,2,0|1,0,1]=4 582 B5R1.2 O=C1CCC1 033237 [0,0,0,0,2,0|0,0,0]=2 583 B5R1.2 O=C1CCO1 167800 [0,0,0,0,2,0|1,0,0]=3 584 B5R1.2 O=C1COC1 044814 [0,0,0,0,2,0|1,0,0]=3 585 B5R1.2 OC1CCC1 003407 [0,0,0,0,2,0|0,0,2]=4 586 B9R1.50 O=C1CCCCCCC1 237170 [0,0,0,0,0,2|0,0,2]=4