0 B7R0.3 C#CC(O)CCCC CS-W011267 [0,0,0,0,0,0|1,0,3]=4 1 B7R0.3 C#CCCC(=O)OC CS-0137200 [0,0,0,0,0,0|0,0,2]=2 2 B7R0.3 C=CC(=O)NCCN CS-0128084 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.3 C=CC(=O)OCCBr CS-0106645 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.3 C=CC(=O)OCCO CS-W013616 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.3 C=CCCC(=O)OC CS-0187527 [0,0,0,0,0,0|0,0,2]=2 6 B7R0.3 C=CCOC(=O)OC CS-0040098 [0,0,0,0,0,0|1,0,2]=3 7 B7R0.3 C=C\C=C\C(=O)OC CS-0207613 [0,0,0,0,0,0|0,0,4]=4 8 B7R0.3 C=C\C=C\C(=O)OC CS-0626198 [0,0,0,0,0,0|0,0,4]=4 9 B7R0.3 CCCCC(=O)O[Na] CS-W007087 [0,0,0,0,0,0|1,0,0]=1 10 B7R0.3 CCCCC(O)CO CS-W013596 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.3 CCCC[C@@H](N)CO CS-0089933 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.3 CCCC[C@@H](N)CO CS-0162184 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.3 CCCC\C(O)=N\N CS-W013606 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.3 CCCNC(=O)CCl CS-0074801 [0,0,0,0,0,0|3,0,0]=3 15 B7R0.3 CCCOC(=O)OC CS-0111112 [0,0,0,0,0,0|1,0,0]=1 16 B7R0.3 CNCCC(=O)OC CS-0150994 [0,0,0,0,0,0|1,0,0]=1 17 B7R0.3 COC(=O)C#CCO CS-0029743 [0,0,0,0,0,0|1,0,2]=3 18 B7R0.3 COC(=O)CCC#N CS-W009546 [0,0,0,0,0,0|1,0,1]=2 19 B7R0.3 COC(=O)CCCBr CS-W004701 [0,0,0,0,0,0|1,0,0]=1 20 B7R0.3 COC(=O)CCCCl CS-0001466 [0,0,0,0,0,0|1,0,0]=1 21 B7R0.3 COC(=O)CCCI CS-0001467 [0,0,0,0,0,0|1,0,0]=1 22 B7R0.3 COC(=O)CCCN CS-W019991 [0,0,0,0,0,0|1,0,0]=1 23 B7R0.3 COC(=O)CCSC CS-0128902 [0,0,0,0,0,0|1,0,0]=1 24 B7R0.3 COC(=O)CNC=O CS-0187476 [0,0,0,0,0,0|2,0,1]=3 25 B7R0.3 COC(=O)\C=C\CBr CS-0146524 [0,0,0,0,0,0|1,0,2]=3 26 B7R0.3 COC(=O)\C=C\CBr CS-W008761 [0,0,0,0,0,0|1,0,2]=3 27 B7R0.3 COC(=O)\C=C\CN CS-0187948 [0,0,0,0,0,0|1,0,2]=3 28 B7R0.3 COCCC(=O)OC CS-0072438 [0,0,0,0,0,0|1,0,0]=1 29 B7R0.3 CO\C=C\C(=O)OC CS-0076974 [0,0,0,0,0,0|1,0,2]=3 30 B7R0.3 CO\C=C\C(=O)OC CS-W007972 [0,0,0,0,0,0|1,0,2]=3 31 B7R0.3 NCCNC(=O)CCl CS-0697880 [0,0,0,0,0,0|4,0,0]=4 32 B7R0.3 O=C(CNCO)O[Na] CS-W019206 [0,0,0,0,0,0|3,0,0]=3 33 B6R0.1 C#CC(=O)NCC CS-0168077 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.1 C=CC(=O)NCC CS-W013719 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.1 C=CCC(=O)OC CS-0158011 [1,0,0,0,0,0|0,0,2]=3 36 B6R0.1 CC#CC(=O)OC CS-0066219 [1,0,0,0,0,0|0,0,2]=3 37 B6R0.1 CCC(=O)COC CS-0213932 [1,0,0,0,0,0|2,0,0]=3 38 B6R0.1 CCCC(=O)NN CS-0152447 [1,0,0,0,0,0|2,0,0]=3 39 B6R0.1 CCCC(Cl)CC CS-0102884 [1,0,0,0,0,0|2,0,1]=4 40 B6R0.1 CCNC(=O)CBr CS-0239382 [1,0,0,0,0,0|3,0,0]=4 41 B6R0.1 CCOC(=O)C#N CS-0022374 [1,0,0,0,0,0|3,0,0]=4 42 B6R0.1 CCOC(=O)CN CS-W020007 [1,0,0,0,0,0|3,0,0]=4 43 B6R0.1 CCOC(=O)CO CS-W019892 [1,0,0,0,0,0|3,0,0]=4 44 B6R0.1 CCOC(=O)NN CS-W008412 [1,0,0,0,0,0|3,0,0]=4 45 B6R0.1 CNC(=O)CC#N CS-W018827 [1,0,0,0,0,0|2,0,1]=4 46 B6R0.1 CNC(=O)CCCl CS-0143787 [1,0,0,0,0,0|2,0,0]=3 47 B6R0.1 CNC(=O)CCO CS-0188403 [1,0,0,0,0,0|2,0,0]=3 48 B6R0.1 CNCC(=O)O[Na] CS-0077129 [1,0,0,0,0,0|2,0,0]=3 49 B6R0.1 COC(=O)C#CBr CS-0043861 [1,0,0,0,0,0|1,0,2]=4 50 B6R0.1 COC(=O)C#CI CS-0513737 [1,0,0,0,0,0|1,0,2]=4 51 B6R0.1 COC(=O)CC#N CS-W016657 [1,0,0,0,0,0|1,0,1]=3 52 B6R0.1 COC(=O)CCBr CS-W008728 [1,0,0,0,0,0|1,0,0]=2 53 B6R0.1 COC(=O)CCCl CS-0131786 [1,0,0,0,0,0|1,0,0]=2 54 B6R0.1 COC(=O)CCI CS-0615889 [1,0,0,0,0,0|1,0,0]=2 55 B6R0.1 COC(=O)CCN CS-W007648 [1,0,0,0,0,0|1,0,0]=2 56 B6R0.1 COC(=O)CCO CS-0022864 [1,0,0,0,0,0|1,0,0]=2 57 B6R0.1 COC(=O)CCS CS-0000049 [1,0,0,0,0,0|1,0,0]=2 58 B6R0.1 COC(=O)OCCl CS-0067504 [1,0,0,0,0,0|2,0,0]=3 59 B6R0.1 COC(=O)\C=C/I CS-0150951 [1,0,0,0,0,0|1,0,2]=4 60 B6R0.1 COC(=O)\C=C\I CS-0042162 [1,0,0,0,0,0|1,0,2]=4 61 B6R0.1 COC(C)CCO CS-W013686 [1,0,0,0,0,0|2,0,1]=4 62 B6R0.1 COCC(=O)NN CS-W005634 [1,0,0,0,0,0|3,0,0]=4 63 B6R0.1 N#CCC(=O)O[Na] CS-0187634 [1,0,0,0,0,0|2,0,1]=4 64 B6R0.1 NNC(=O)CCS CS-0513962 [1,0,0,0,0,0|3,0,0]=4 65 B6R0.4 C#CCCC(=O)O CS-W008784 [1,0,0,0,0,0|0,0,2]=3 66 B6R0.4 C#CCNC(C)=O CS-0434175 [1,0,0,0,0,0|1,0,2]=4 67 B6R0.4 C#CCOC(C)=O CS-0158541 [1,0,0,0,0,0|1,0,2]=4 68 B6R0.4 C=CCCC(=O)O CS-W009138 [1,0,0,0,0,0|0,0,2]=3 69 B6R0.4 CC(=O)CCCCl CS-W013569 [1,0,0,0,0,0|1,0,0]=2 70 B6R0.4 CC(=O)CCCO CS-0020001 [1,0,0,0,0,0|1,0,0]=2 71 B6R0.4 CC(=O)NCCO CS-W013689 [1,0,0,0,0,0|2,0,0]=3 72 B6R0.4 CC(=O)OCCBr CS-W007598 [1,0,0,0,0,0|2,0,0]=3 73 B6R0.4 CC(=O)OCCN CS-0657679 [1,0,0,0,0,0|2,0,0]=3 74 B6R0.4 CC(=O)OCCO CS-0154995 [1,0,0,0,0,0|2,0,0]=3 75 B6R0.4 CC(Br)CCCBr CS-0204659 [1,0,0,0,0,0|2,0,1]=4 76 B6R0.4 CC(C)=CCCBr CS-0155165 [1,0,0,0,0,0|2,0,1]=4 77 B6R0.4 CC(C)CCCBr CS-0154233 [1,0,0,0,0,0|2,0,1]=4 78 B6R0.4 CC(C)CCCO CS-W007511 [1,0,0,0,0,0|2,0,1]=4 79 B6R0.4 CC(O)CCCO CS-0154051 [1,0,0,0,0,0|1,0,2]=4 80 B6R0.4 CCC#CC(=O)O CS-W013726 [1,0,0,0,0,0|0,0,2]=3 81 B6R0.4 CCCCB(O)O CS-W000932 [1,0,0,0,0,0|1,0,1]=3 82 B6R0.4 CCCCC(=N)N CS-0122242 [1,0,0,0,0,0|2,0,0]=3 83 B6R0.4 CCCCC(N)=S CS-0248646 [1,0,0,0,0,0|1,1,0]=3 84 B6R0.4 CCCCS(=O)[O-] CS-0851776 [1,0,0,0,0,0|1,0,1]=3 85 B6R0.4 CCCC[C@@H](C)O CS-0179419 [1,0,0,0,0,0|0,0,2]=3 86 B6R0.4 CCCC[C@H](C)O CS-0179420 [1,0,0,0,0,0|0,0,2]=3 87 B6R0.4 CCCNC(C)=O CS-0246738 [1,0,0,0,0,0|1,0,0]=2 88 B6R0.4 CCCOC(N)=O CS-W019060 [1,0,0,0,0,0|2,0,0]=3 89 B6R0.4 CCNCC(=O)O CS-0201673 [1,0,0,0,0,0|1,0,0]=2 90 B6R0.4 CCNCC(C)C CS-0071534 [1,0,0,0,0,0|2,0,1]=4 91 B6R0.4 CCOCC(=O)O CS-0071579 [1,0,0,0,0,0|1,0,0]=2 92 B6R0.4 CCSCC(=O)O CS-0197336 [1,0,0,0,0,0|1,0,0]=2 93 B6R0.4 CC\C=C\C(=O)O CS-0053528 [1,0,0,0,0,0|0,0,2]=3 94 B6R0.4 CN(C)CCCBr CS-W003771 [1,0,0,0,0,0|3,0,0]=4 95 B6R0.4 CN(C)CCCCl CS-W004690 [1,0,0,0,0,0|3,0,0]=4 96 B6R0.4 CN(C)CCCCl CS-W019575 [1,0,0,0,0,0|3,0,0]=4 97 B6R0.4 CN(C)CCCN CS-0214111 [1,0,0,0,0,0|3,0,0]=4 98 B6R0.4 CNCCC(=O)O CS-0112815 [1,0,0,0,0,0|1,0,0]=2 99 B6R0.4 CNCCC(=O)O CS-0169148 [1,0,0,0,0,0|1,0,0]=2 100 B6R0.4 CNCCC(C)C CS-0039334 [1,0,0,0,0,0|2,0,1]=4 101 B6R0.4 CNCCC(N)=O CS-0214971 [1,0,0,0,0,0|2,0,0]=3 102 B6R0.4 CNCCN(C)C CS-W022914 [1,0,0,0,0,0|3,0,0]=4 103 B6R0.4 COCCC(=O)O CS-W009112 [1,0,0,0,0,0|1,0,0]=2 104 B6R0.4 CO\C=C\C(=O)O CS-0201343 [1,0,0,0,0,0|1,0,2]=4 105 B6R0.4 CO\C=C\C(C)=O CS-0145411 [1,0,0,0,0,0|1,0,2]=4 106 B6R0.4 CO\C=C\C(C)=O CS-W013712 [1,0,0,0,0,0|1,0,2]=4 107 B6R0.4 CS(=O)CCCN CS-0286765 [1,0,0,0,0,0|2,0,0]=3 108 B6R0.4 CSCCC(=O)O CS-6296 [1,0,0,0,0,0|1,0,0]=2 109 B6R0.4 CSCCC(C)=O CS-0206726 [1,0,0,0,0,0|1,0,0]=2 110 B6R0.4 C[C@@H](N)CCCO CS-0634445 [1,0,0,0,0,0|2,0,1]=4 111 B6R0.4 C[C@H](N)CCCO CS-0652529 [1,0,0,0,0,0|2,0,1]=4 112 B6R0.4 C\C=C\CC(=O)O CS-0129103 [1,0,0,0,0,0|0,0,2]=3 113 B6R0.4 N#CCCC(=O)O CS-W018565 [1,0,0,0,0,0|1,0,1]=3 114 B6R0.4 N=C(O)NCCO CS-W011301 [1,0,0,0,0,0|3,0,0]=4 115 B6R0.4 NC(=O)NCCCl CS-0317452 [1,0,0,0,0,0|3,0,0]=4 116 B6R0.4 NCCCC(=O)O CS-W020704 [1,0,0,0,0,0|1,0,0]=2 117 B6R0.4 NCCCC(N)=O CS-0103894 [1,0,0,0,0,0|2,0,0]=3 118 B6R0.4 NCCNC(N)=O CS-0139236 [1,0,0,0,0,0|3,0,0]=4 119 B6R0.4 O=C(O)C#CCO CS-0005249 [1,0,0,0,0,0|1,0,2]=4 120 B6R0.4 O=C(O)CCCBr CS-W016047 [1,0,0,0,0,0|1,0,0]=2 121 B6R0.4 O=C(O)CCCCl CS-W013545 [1,0,0,0,0,0|1,0,0]=2 122 B6R0.4 O=C(O)\C=C\CBr CS-0020044 [1,0,0,0,0,0|1,0,2]=4 123 B6R0.4 O=C(O)\C=C\CCl CS-0139553 [1,0,0,0,0,0|1,0,2]=4 124 B6R0.4 O=CNCC(=O)O CS-0102520 [1,0,0,0,0,0|2,0,1]=4 125 B6R0.4 O=[N+]([O-])CCCO CS-0209456 [1,0,0,0,0,0|2,0,1]=4 126 B6R0.4 [N-]=[N+]=NCC(=O)O CS-0618774 [1,0,0,0,0,0|3,0,0]=4 127 B6R0.6 C(CC)=CCCO CS-W009552 [1,0,0,0,0,0|2,0,1]=4 128 B6R0.6 C(CO)=CCCC CS-W016652 [1,0,0,0,0,0|2,0,1]=4 129 B6R0.6 C=C=CCCCO CS-1014365 [1,0,0,0,0,0|2,0,1]=4 130 B6R0.6 CCCCCCI CS-0132388 [1,0,0,0,0,0|2,0,1]=4 131 B6R0.6 CCCCCCN CS-0196786 [1,0,0,0,0,0|2,0,1]=4 132 B6R0.6 CCCNCCC CS-0187381 [1,0,0,0,0,0|2,0,1]=4 133 B6R0.6 CCCNCCC CS-0214120 [1,0,0,0,0,0|2,0,1]=4 134 B6R0.6 CCC\C=C\C=O CS-0099263 [1,0,0,0,0,0|2,0,1]=4 135 B6R0.6 CCNCCCN CS-0151962 [1,0,0,0,0,0|3,0,0]=4 136 B6R0.6 CCOCCCO CS-W013685 [1,0,0,0,0,0|3,0,0]=4 137 B6R0.6 CC\C=C/CCO CS-W011323 [1,0,0,0,0,0|2,0,1]=4 138 B6R0.6 CNCCCCBr CS-0163109 [1,0,0,0,0,0|2,0,1]=4 139 B6R0.6 CNCCCCO CS-W006493 [1,0,0,0,0,0|2,0,1]=4 140 B6R0.6 COCCCCBr CS-W021313 [1,0,0,0,0,0|1,0,1]=3 141 B6R0.6 COCCCCCl CS-0039726 [1,0,0,0,0,0|1,0,1]=3 142 B6R0.6 COCCCCO CS-0150179 [1,0,0,0,0,0|1,0,1]=3 143 B6R0.6 CSCCCCO CS-0204406 [1,0,0,0,0,0|1,1,1]=4 144 B8R0.1 C#CCCC(=O)CCO CS-0038477 [0,1,0,0,0,0|1,0,2]=4 145 B8R0.1 C#CCCC(=O)OCC CS-0044527 [0,1,0,0,0,0|0,0,2]=3 146 B8R0.1 C(CBr)=CC(=O)OCC CS-W007837 [0,1,0,0,0,0|1,0,2]=4 147 B8R0.1 C=CCOC(=O)OCC CS-0197813 [0,1,0,0,0,0|1,0,2]=4 148 B8R0.1 CCCCC(O)CCC CS-0362569 [0,1,0,0,0,0|1,0,2]=4 149 B8R0.1 CCCCN(C)CCO CS-0132259 [0,1,0,0,0,0|3,0,0]=4 150 B8R0.1 CCCNC(=O)CC#N CS-0215383 [0,1,0,0,0,0|2,0,1]=4 151 B8R0.1 CCCOC(=O)CC#N CS-0217234 [0,1,0,0,0,0|2,0,1]=4 152 B8R0.1 CCOC(=O)CCC#N CS-0094471 [0,1,0,0,0,0|1,0,1]=3 153 B8R0.1 CCOC(=O)CCCBr CS-W020133 [0,1,0,0,0,0|1,0,0]=2 154 B8R0.1 CCOC(=O)CCCI CS-0029516 [0,1,0,0,0,0|1,0,0]=2 155 B8R0.1 CCOC(=O)CCCN CS-W010794 [0,1,0,0,0,0|1,0,0]=2 156 B8R0.1 CCOC(=O)CCNN CS-0151578 [0,1,0,0,0,0|2,0,0]=3 157 B8R0.1 CCOC(=O)CNC=O CS-0201687 [0,1,0,0,0,0|2,0,1]=4 158 B8R0.1 CCOCC(=O)OCC CS-0151430 [0,1,0,0,0,0|1,0,0]=2 159 B8R0.3 C#CC[C@H](N)C(=O)OC CS-0180948 [0,1,0,0,0,0|0,0,2]=3 160 B8R0.3 CCCC(=O)N(C)OC CS-0123043 [0,1,0,0,0,0|2,0,1]=4 161 B8R0.3 CCCC(N)C(=O)OC CS-0152454 [0,1,0,0,0,0|0,0,0]=1 162 B8R0.3 CCC[C@H](N)C(=O)OC CS-0152592 [0,1,0,0,0,0|0,0,0]=1 163 B8R0.3 CCOC(=O)C(=O)CC CS-W005382 [0,1,0,0,0,0|2,0,1]=4 164 B8R0.3 COC(=O)C(C)CCCl CS-0205287 [0,1,0,0,0,0|1,0,0]=2 165 B8R0.3 COC(=O)[C@@H](N)CSC CS-0654810 [0,1,0,0,0,0|1,0,0]=2 166 B8R0.3 COC[C@@H](N)C(=O)OC CS-0162497 [0,1,0,0,0,0|1,0,0]=2 167 B8R0.6 C#CCCCC(=O)OC CS-0127624 [0,1,0,0,0,0|0,0,1]=2 168 B8R0.6 C=CC(=O)CCCCC CS-0168504 [0,1,0,0,0,0|1,0,1]=3 169 B8R0.6 C=CC(=O)NCCCC CS-0152107 [0,1,0,0,0,0|1,0,1]=3 170 B8R0.6 C=CCCCC(=O)OC CS-0015919 [0,1,0,0,0,0|0,0,1]=2 171 B8R0.6 CCCCCC(=O)NN CS-0152328 [0,1,0,0,0,0|2,0,0]=3 172 B8R0.6 CCCCCC(O)CC CS-0152331 [0,1,0,0,0,0|1,0,2]=4 173 B8R0.6 CCCCC[C@@H](O)CC CS-0464840 [0,1,0,0,0,0|1,0,2]=4 174 B8R0.6 CCCCNC(=O)CCl CS-0116592 [0,1,0,0,0,0|2,0,0]=3 175 B8R0.6 CCCCOC(=O)CN CS-0571899 [0,1,0,0,0,0|2,0,0]=3 176 B8R0.6 CCCCOC(=O)CS CS-0297731 [0,1,0,0,0,0|2,0,0]=3 177 B8R0.6 CCC\C=C\C(=O)OC CS-W013465 [0,1,0,0,0,0|0,0,1]=2 178 B8R0.6 CNCCCC(=O)OC CS-0112438 [0,1,0,0,0,0|0,0,0]=1 179 B8R0.6 COC(=O)CCCC#N CS-0216788 [0,1,0,0,0,0|0,0,1]=2 180 B8R0.6 COC(=O)CCCCBr CS-W022866 [0,1,0,0,0,0|0,0,0]=1 181 B8R0.6 COC(=O)CCCCCl CS-0098043 [0,1,0,0,0,0|0,0,0]=1 182 B8R0.6 COC(=O)CCCCN CS-0018002 [0,1,0,0,0,0|0,0,0]=1 183 B8R0.6 COC(=O)CCCCO CS-0021769 [0,1,0,0,0,0|0,0,0]=1 184 B8R0.6 COC(=O)COCCCl CS-0209481 [0,1,0,0,0,0|1,0,0]=2 185 B8R0.6 COCCCC(=O)OC CS-W011093 [0,1,0,0,0,0|0,0,0]=1 186 B8R0.6 COC\C=C\C(=O)OC CS-0528723 [0,1,0,0,0,0|0,0,2]=3 187 B8R0.6 C\C=C\C=C\C(=O)OC CS-0069857 [0,1,0,0,0,0|0,0,3]=4 188 B8R0.6 C\C=C\C=C\C(=O)OC CS-0898360 [0,1,0,0,0,0|0,0,3]=4 189 B8R0.6 O=C(CCCCO)O[Na] CS-0047732 [0,1,0,0,0,0|1,0,0]=2 190 B8R0.8 C=C(C)C(=O)NCCO CS-0160432 [0,1,0,0,0,0|3,0,0]=4 191 B8R0.8 C=C(C)C(=O)OCCN CS-0112263 [0,1,0,0,0,0|3,0,0]=4 192 B8R0.8 C=C(C)C(=O)OCCO CS-W013439 [0,1,0,0,0,0|3,0,0]=4 193 B8R0.8 CCCCC(=O)C(=O)O CS-0069654 [0,1,0,0,0,0|2,0,0]=3 194 B8R0.9 CNC(=O)CNC(C)=O CS-0277639 [0,1,0,0,0,0|2,0,1]=4 195 B8R0.9 COC(=O)CCC(=O)O CS-W011096 [0,1,0,0,0,0|1,0,1]=3 196 B8R0.9 COC(=O)CCC(C)=O CS-0023754 [0,1,0,0,0,0|0,0,1]=2 197 B8R0.9 COC(=O)CCC(N)=O CS-0453315 [0,1,0,0,0,0|1,0,1]=3 198 B8R0.9 COC(=O)CCS(=O)[O-] CS-W008508 [0,1,0,0,0,0|2,0,0]=3 199 B8R0.9 COC(=O)CC[C@H](C)N CS-0572078 [0,1,0,0,0,0|0,0,0]=1 200 B8R0.9 COC(=O)CNC(C)=O CS-W013428 [0,1,0,0,0,0|1,0,1]=3 201 B8R0.9 COC(=O)CNC(C)C CS-0200417 [0,1,0,0,0,0|1,0,0]=2 202 B8R0.9 COC(=O)NCC(=O)O CS-0150649 [0,1,0,0,0,0|2,0,1]=4 203 B8R0.9 COC(=O)\C=C\N(C)C CS-0680413 [0,1,0,0,0,0|1,0,2]=4 204 B8R0.9 O=C(CSC(F)F)O[K] CS-B0604 [0,1,0,0,0,0|3,0,0]=4 205 B8R0.11 CCCCC(CC)CBr CS-W004392 [0,1,0,0,0,0|2,0,1]=4 206 B8R0.11 CCCCC(CC)CCl CS-W016329 [0,1,0,0,0,0|2,0,1]=4 207 B8R0.11 CCCCC(CC)CO CS-0016002 [0,1,0,0,0,0|1,0,2]=4 208 B8R0.11 COC(CCCCl)OC CS-W008139 [0,1,0,0,0,0|1,0,2]=4 209 B8R0.19 CCC(=O)CC(=O)CC CS-W013466 [0,1,0,0,0,0|1,0,1]=3 210 B8R0.19 CCC(=O)CC(=O)OC CS-W011110 [0,1,0,0,0,0|0,0,1]=2 211 B8R0.19 CC[C@@H](O)CC(=O)OC CS-0852565 [0,1,0,0,0,0|0,0,0]=1 212 B8R0.19 CNC(C)CC(=O)OC CS-0124917 [0,1,0,0,0,0|1,0,0]=2 213 B8R0.19 CN\C(C)=C\C(=O)OC CS-M1728 [0,1,0,0,0,0|1,0,2]=4 214 B8R0.19 COC(=O)CC(=O)CCl CS-0044248 [0,1,0,0,0,0|1,0,1]=3 215 B8R0.19 COC(=O)CC(=O)OC CS-0019394 [0,1,0,0,0,0|1,0,1]=3 216 B8R0.19 COC(=O)CC(=O)O[K] CS-M3561 [0,1,0,0,0,0|2,0,1]=4 217 B8R0.19 COC(=O)N[C@@H](C)CN CS-0010956 [0,1,0,0,0,0|2,0,0]=3 218 B8R0.25 CCCCS(=O)(=O)O[Na] CS-W017940 [0,1,0,0,0,0|2,0,0]=3 219 B8R0.25 CNCCS(=O)(=O)O[Na] CS-W022955 [0,1,0,0,0,0|3,0,0]=4 220 B8R0.25 COCCS(=O)(=O)O[Na] CS-0568340 [0,1,0,0,0,0|3,0,0]=4 221 B8R1.1 C=CC1COC(=O)C1 CS-B0698 [0,0,0,1,0,0|0,0,2]=3 222 B8R1.1 C=CC1COC(=O)O1 CS-W011250 [0,0,0,1,0,0|1,0,2]=4 223 B8R1.1 C=C[C@H]1COC(=O)C1 CS-0001483 [0,0,0,1,0,0|0,0,2]=3 224 B8R1.1 CCC1CCC(=O)N1 CS-0046651 [0,0,0,1,0,0|2,0,0]=3 225 B8R1.1 CCC1COC(=O)N1 CS-0447690 [0,0,0,1,0,0|1,0,0]=2 226 B8R1.1 CCC1COC(=O)O1 CS-0187002 [0,0,0,1,0,0|1,0,0]=2 227 B8R1.1 CC[C@H]1COC(=O)N1 CS-0093963 [0,0,0,1,0,0|1,0,0]=2 228 B8R1.1 COC1=CC(=O)CC1 CS-0040746 [0,0,0,1,0,0|2,0,1]=4 229 B8R1.1 COC1CCC(N)C1 CS-0051286 [0,0,0,1,0,0|2,0,1]=4 230 B8R1.1 N#C[C@@H]1CCC(=O)C1 CS-0056414 [0,0,0,1,0,0|2,0,1]=4 231 B8R1.1 NCC1CCC(=O)N1 CS-0029734 [0,0,0,1,0,0|3,0,0]=4 232 B8R1.1 NCC1CCC(=O)N1 CS-0075962 [0,0,0,1,0,0|3,0,0]=4 233 B8R1.1 NCC1CNC(=O)C1 CS-0051184 [0,0,0,1,0,0|2,0,0]=3 234 B8R1.1 NC[C@@H]1CCC(=O)N1 CS-0144990 [0,0,0,1,0,0|3,0,0]=4 235 B8R1.1 NC[C@H]1CCC(=O)N1 CS-0105178 [0,0,0,1,0,0|3,0,0]=4 236 B8R1.1 O=C1CC(CO)CN1 CS-0046664 [0,0,0,1,0,0|2,0,0]=3 237 B8R1.1 O=C1CC(CO)CO1 CS-0037642 [0,0,0,1,0,0|1,0,0]=2 238 B8R1.1 O=C1CCC(CO)C1 CS-0315717 [0,0,0,1,0,0|2,0,0]=3 239 B8R1.1 O=C1CCC(CO)N1 CS-W001608 [0,0,0,1,0,0|3,0,0]=4 240 B8R1.1 O=C1CCC(CO)O1 CS-0113560 [0,0,0,1,0,0|3,0,0]=4 241 B8R1.1 O=C1CC[C@@H](CBr)N1 CS-B0460 [0,0,0,1,0,0|3,0,0]=4 242 B8R1.1 O=C1CC[C@@H](CO)N1 CS-B0366 [0,0,0,1,0,0|3,0,0]=4 243 B8R1.1 O=C1CC[C@H](CO)N1 CS-W001840 [0,0,0,1,0,0|3,0,0]=4 244 B8R1.1 O=C1NC(CO)CO1 CS-0309754 [0,0,0,1,0,0|2,0,0]=3 245 B8R1.1 O=C1NCC(CO)O1 CS-0113076 [0,0,0,1,0,0|3,0,0]=4 246 B8R1.1 O=C1NC[C@@H](CCl)O1 CS-0186187 [0,0,0,1,0,0|3,0,0]=4 247 B8R1.1 O=C1NC[C@@H](CO)O1 CS-0067235 [0,0,0,1,0,0|3,0,0]=4 248 B8R1.1 O=C1NC[C@H](CCl)O1 CS-0436811 [0,0,0,1,0,0|3,0,0]=4 249 B8R1.1 O=C1NC[C@H](CO)O1 CS-0131343 [0,0,0,1,0,0|3,0,0]=4 250 B8R1.1 O=C1N[C@@H](CF)CO1 CS-0256092 [0,0,0,1,0,0|2,0,0]=3 251 B8R1.1 O=C1N[C@@H](CI)CO1 CS-0149725 [0,0,0,1,0,0|2,0,0]=3 252 B8R1.1 O=C1N[C@@H](CO)CO1 CS-0067476 [0,0,0,1,0,0|2,0,0]=3 253 B8R1.1 O=C1N[C@H](CO)CO1 CS-0216909 [0,0,0,1,0,0|2,0,0]=3 254 B8R1.1 O=C1OCC(CO)O1 CS-0158426 [0,0,0,1,0,0|2,0,0]=3 255 B8R1.2 C#CC1=CCCCC1 CS-0186341 [0,0,0,1,0,0|2,0,1]=4 256 B8R1.2 COC1=NCCCC1 CS-0150206 [0,0,0,1,0,0|1,0,0]=2 257 B8R1.2 COC1CCCCO1 CS-0197358 [0,0,0,1,0,0|0,0,2]=3 258 B8R1.2 COC1CCCNC1 CS-0051284 [0,0,0,1,0,0|2,0,1]=4 259 B8R1.2 COC1CCCNC1 CS-0150202 [0,0,0,1,0,0|2,0,1]=4 260 B8R1.2 COC1CCNCC1 CS-0040128 [0,0,0,1,0,0|2,0,1]=4 261 B8R1.2 COC1CCNCC1 CS-W005038 [0,0,0,1,0,0|2,0,1]=4 262 B8R1.2 CO[C@@H]1CCCNC1 CS-0053772 [0,0,0,1,0,0|2,0,1]=4 263 B8R1.2 CO[C@H]1CCCNC1 CS-0053262 [0,0,0,1,0,0|2,0,1]=4 264 B8R1.2 N#CC1=CCCCC1 CS-0155409 [0,0,0,1,0,0|3,0,0]=4 265 B8R1.2 NOC1CCCCO1 CS-W007325 [0,0,0,1,0,0|1,0,2]=4 266 B8R1.3 CC1=NNC(=O)CC1 CS-W011268 [0,0,0,1,0,0|2,0,1]=4 267 B8R1.3 CC1CCC(=O)CC1 CS-W013656 [0,0,0,1,0,0|1,0,0]=2 268 B8R1.3 CC1CCC(=O)NC1 CS-0009361 [0,0,0,1,0,0|1,0,0]=2 269 B8R1.3 CC1CCC(O)CC1 CS-0059254 [0,0,0,1,0,0|1,0,2]=4 270 B8R1.3 CC1CNC(=O)CO1 CS-0444103 [0,0,0,1,0,0|2,0,0]=3 271 B8R1.3 CN1CCC(=O)CC1 CS-W009198 [0,0,0,1,0,0|2,0,0]=3 272 B8R1.3 C[C@@H]1CNC(=O)CO1 CS-0478990 [0,0,0,1,0,0|2,0,0]=3 273 B8R1.3 C[C@@H]1CO[C@H](C)CN1 CS-0158230 [0,0,0,1,0,0|2,0,1]=4 274 B8R1.3 C[C@H]1CC[C@@H](N)CC1 CS-0170852 [0,0,0,1,0,0|2,0,1]=4 275 B8R1.3 C[C@H]1CC[C@@H](O)CC1 CS-0180937 [0,0,0,1,0,0|1,0,2]=4 276 B8R1.3 C[C@H]1CC[C@H](N)CC1 CS-W003376 [0,0,0,1,0,0|2,0,1]=4 277 B8R1.3 C[C@H]1CC[C@H](N)CC1 CS-W011254 [0,0,0,1,0,0|2,0,1]=4 278 B8R1.3 C[C@H]1CC[C@H](O)CC1 CS-0180938 [0,0,0,1,0,0|1,0,2]=4 279 B8R1.3 C[C@H]1CNC(=O)CO1 CS-0478989 [0,0,0,1,0,0|2,0,0]=3 280 B8R1.3 C[C@H]1CO[C@@H](C)CN1 CS-W021076 [0,0,0,1,0,0|2,0,1]=4 281 B8R1.3 NC1CCC(=O)CC1 CS-W005034 [0,0,0,1,0,0|2,0,0]=3 282 B8R1.3 NC1CCC(=O)NC1 CS-0050676 [0,0,0,1,0,0|2,0,0]=3 283 B8R1.3 N[C@H]1CCC(=O)NC1 CS-0185259 [0,0,0,1,0,0|2,0,0]=3 284 B8R1.3 O=C1CCC(=O)CC1 CS-W011270 [0,0,0,1,0,0|2,0,1]=4 285 B8R1.3 O=C1CCC(O)CC1 CS-D0911 [0,0,0,1,0,0|2,0,0]=3 286 B8R1.3 O=C1CCC(O)CN1 CS-D0057 [0,0,0,1,0,0|2,0,0]=3 287 B8R1.3 O=C1CCS(=O)CC1 CS-0188184 [0,0,0,1,0,0|3,0,0]=4 288 B8R1.3 O=C1CC[C@H](O)CN1 CS-D0042 [0,0,0,1,0,0|2,0,0]=3 289 B8R1.3 O=C1COC(=O)CO1 CS-0046191 [0,0,0,1,0,0|2,0,1]=4 290 B8R1.5 C=C1CCCNC1=O CS-0312427 [0,0,0,1,0,0|2,0,1]=4 291 B8R1.5 CC1=NCCCN1C CS-W021273 [0,0,0,1,0,0|3,0,0]=4 292 B8R1.5 CC1CCCCC1N CS-W013646 [0,0,0,1,0,0|2,0,1]=4 293 B8R1.5 CC1CCCNC1=O CS-0186670 [0,0,0,1,0,0|2,0,0]=3 294 B8R1.5 CC1CNCCC1=O CS-D0046 [0,0,0,1,0,0|2,0,0]=3 295 B8R1.5 CC1CNCCC1=O CS-D0300 [0,0,0,1,0,0|2,0,0]=3 296 B8R1.5 CC1COCCC1=O CS-W003860 [0,0,0,1,0,0|2,0,0]=3 297 B8R1.5 CC1NCCNC1=O CS-0046850 [0,0,0,1,0,0|3,0,0]=4 298 B8R1.5 CN1CCCNC1=O CS-0068150 [0,0,0,1,0,0|2,0,0]=3 299 B8R1.5 CN1CCNCC1=O CS-0052424 [0,0,0,1,0,0|2,0,0]=3 300 B8R1.5 CN1CCNCC1=O CS-D0697 [0,0,0,1,0,0|2,0,0]=3 301 B8R1.5 CN1CCOCC1=O CS-0145226 [0,0,0,1,0,0|2,0,0]=3 302 B8R1.5 C[C@@H]1CCCC[C@@H]1N CS-0158236 [0,0,0,1,0,0|2,0,1]=4 303 B8R1.5 C[C@@H]1NCCNC1=O CS-0130514 [0,0,0,1,0,0|3,0,0]=4 304 B8R1.5 C[C@H]1CCCC[C@H]1N CS-0162390 [0,0,0,1,0,0|2,0,1]=4 305 B8R1.5 C[C@H]1NCCNC1=O CS-0042202 [0,0,0,1,0,0|3,0,0]=4 306 B8R1.5 NC1CCCCC1=O CS-0099232 [0,0,0,1,0,0|2,0,0]=3 307 B8R1.5 NC1CCCNC1=O CS-D0182 [0,0,0,1,0,0|3,0,0]=4 308 B8R1.5 N[C@@H]1CCCNC1=O CS-0102181 [0,0,0,1,0,0|3,0,0]=4 309 B8R1.5 N[C@H]1CCCNC1=O CS-0112427 [0,0,0,1,0,0|3,0,0]=4 310 B8R1.5 O=C1CCCCC1=O CS-W007347 [0,0,0,1,0,0|2,0,0]=3 311 B8R1.5 O=C1CCCCC1Cl CS-W013402 [0,0,0,1,0,0|2,0,0]=3 312 B8R1.5 O=C1CCCCC1O CS-0262973 [0,0,0,1,0,0|2,0,0]=3 313 B8R1.5 O=C1CCNCC1F CS-0044438 [0,0,0,1,0,0|3,0,0]=4 314 B8R1.5 O=C1CCOCC1Br CS-0039271 [0,0,0,1,0,0|3,0,0]=4 315 B8R1.5 O=C1CCOCC1F CS-0051355 [0,0,0,1,0,0|3,0,0]=4 316 B8R1.5 O=C1NCCCC1O CS-W008630 [0,0,0,1,0,0|3,0,0]=4 317 B8R1.22 BrC1=CCCCCC1 CS-0448697 [0,0,0,1,0,0|2,0,0]=3 318 B8R1.22 BrC1CCCCCC1 CS-0146614 [0,0,0,1,0,0|2,0,1]=4 319 B8R1.22 C=C1OCCCCO1 CS-W006464 [0,0,0,1,0,0|2,0,0]=3 320 B8R1.22 ClC1CCCCCC1 CS-0155300 [0,0,0,1,0,0|2,0,1]=4 321 B8R1.22 NC1CCCCCC1 CS-0071927 [0,0,0,1,0,0|2,0,1]=4 322 B8R1.22 O=C1C=CCCCC1 CS-W007594 [0,0,0,1,0,0|1,0,1]=3 323 B8R1.22 O=C1CCCCCN1 CS-W011258 [0,0,0,1,0,0|1,0,0]=2 324 B8R1.22 O=C1CCCCNC1 CS-0155246 [0,0,0,1,0,0|2,0,0]=3 325 B8R1.22 O=C1CCCNCC1 CS-W001845 [0,0,0,1,0,0|2,0,0]=3 326 B8R1.22 O=C1CCNCCN1 CS-W003673 [0,0,0,1,0,0|2,0,0]=3 327 B8R1.22 O=C1CCOCCN1 CS-W021289 [0,0,0,1,0,0|2,0,0]=3 328 B8R1.22 O=C1COCCCN1 CS-0037454 [0,0,0,1,0,0|2,0,0]=3 329 B8R1.22 O=C1OCCCCO1 CS-0665438 [0,0,0,1,0,0|1,0,0]=2 330 B8R1.22 OC1=NCCNCC1 CS-W011246 [0,0,0,1,0,0|2,0,1]=4 331 B8R1.22 OC1CCCCCC1 CS-W013633 [0,0,0,1,0,0|1,0,2]=4 332 B8R1.38 CCC(N)C1CCC1 CS-0655543 [0,0,0,1,0,0|2,0,1]=4 333 B8R1.38 CNC(=O)C1CNC1 CS-0184861 [0,0,0,1,0,0|2,0,0]=3 334 B8R1.38 COC(=O)C1CCC1 CS-W013640 [0,0,0,1,0,0|0,0,0]=1 335 B8R1.38 COC(=O)C1CNC1 CS-D1541 [0,0,0,1,0,0|1,0,0]=2 336 B8R1.38 COC(=O)C1COC1 CS-0045513 [0,0,0,1,0,0|1,0,0]=2 337 B8R1.38 O=C(CCl)N1CCC1 CS-0054578 [0,0,0,1,0,0|3,0,0]=4 338 B8R1.40 NCC(=O)NC1CC1 CS-0077363 [0,0,0,1,0,0|3,0,0]=4 339 B8R1.40 O=C(CBr)NC1CC1 CS-0627309 [0,0,0,1,0,0|3,0,0]=4 340 B8R1.50 CC1C(=O)CCC1=O CS-W013660 [0,0,0,1,0,0|2,0,1]=4 341 B8R1.50 CC1CCC(=O)C1=O CS-W011271 [0,0,0,1,0,0|2,0,0]=3 342 B8R1.50 CN1C(=O)CCC1=O CS-0151201 [0,0,0,1,0,0|2,0,1]=4 343 B8R1.50 CN1CCC(=O)C1=O CS-0139148 [0,0,0,1,0,0|3,0,0]=4 344 B8R1.52 CCC1(O)CCCC1 CS-W013632 [0,0,0,1,0,0|1,0,2]=4 345 B8R1.52 CC[N+]1(C)CCCC1 CS-0185898 [0,0,0,1,0,0|3,0,0]=4 346 B8R1.52 CC[N+]1(C)CCCC1 CS-W015752 [0,0,0,1,0,0|3,0,0]=4 347 B5R0.1 C#CCC(=O)O CS-W004784 [2,0,0,0,0,0|0,0,2]=4 348 B5R0.1 C=CCC(=O)O CS-0069849 [2,0,0,0,0,0|0,0,2]=4 349 B5R0.1 CC#CC(=O)O CS-W007936 [2,0,0,0,0,0|0,0,2]=4 350 B5R0.1 CC(=O)CCCl CS-W022162 [2,0,0,0,0,0|1,0,0]=3 351 B5R0.1 CC(=O)CCN CS-0209803 [2,0,0,0,0,0|1,0,0]=3 352 B5R0.1 CC(=O)NCO CS-0061075 [2,0,0,0,0,0|2,0,0]=4 353 B5R0.1 CC(=O)OCBr CS-0090812 [2,0,0,0,0,0|2,0,0]=4 354 B5R0.1 CC(=O)OCCl CS-0139458 [2,0,0,0,0,0|2,0,0]=4 355 B5R0.1 CCCB(O)O CS-W007470 [2,0,0,0,0,0|1,0,1]=4 356 B5R0.1 CCCC(=N)N CS-W013544 [2,0,0,0,0,0|2,0,0]=4 357 B5R0.1 CCCC(=O)O CS-0977378 [2,0,0,0,0,0|0,0,0]=2 358 B5R0.1 CCCC(N)=O CS-0130522 [2,0,0,0,0,0|1,0,0]=3 359 B5R0.1 CCC[C@@H](C)N CS-0162182 [2,0,0,0,0,0|1,0,1]=4 360 B5R0.1 CCC[C@H](C)N CS-W006528 [2,0,0,0,0,0|1,0,1]=4 361 B5R0.1 CCNC(N)=O CS-W011351 [2,0,0,0,0,0|2,0,0]=4 362 B5R0.1 CCOC(C)=N CS-W008601 [2,0,0,0,0,0|2,0,0]=4 363 B5R0.1 CCOC(N)=O CS-4731 [2,0,0,0,0,0|2,0,0]=4 364 B5R0.1 CNCC(=O)O CS-W013507 [2,0,0,0,0,0|1,0,0]=3 365 B5R0.1 CNCC(=O)O CS-W018511 [2,0,0,0,0,0|1,0,0]=3 366 B5R0.1 CNCC(N)=O CS-W011178 [2,0,0,0,0,0|2,0,0]=4 367 B5R0.1 COCC(=O)O CS-W020123 [2,0,0,0,0,0|1,0,0]=3 368 B5R0.1 CSCC(=O)O CS-0015159 [2,0,0,0,0,0|1,0,0]=3 369 B5R0.1 CSCC(N)=O CS-0150088 [2,0,0,0,0,0|2,0,0]=4 370 B5R0.1 CSCS(C)=O CS-0146450 [2,0,0,0,0,0|2,0,0]=4 371 B5R0.1 C\C=C\C(=O)O CS-0017976 [2,0,0,0,0,0|0,0,2]=4 372 B5R0.1 C\C=C\C(C)=O CS-0022376 [2,0,0,0,0,0|0,0,2]=4 373 B5R0.1 C\C=C\C(C)=O CS-0513711 [2,0,0,0,0,0|0,0,2]=4 374 B5R0.1 N=C(O)CCN CS-W007497 [2,0,0,0,0,0|2,0,0]=4 375 B5R0.1 NC(=O)CCBr CS-0046169 [2,0,0,0,0,0|2,0,0]=4 376 B5R0.1 NC(=O)CCCl CS-0204808 [2,0,0,0,0,0|2,0,0]=4 377 B5R0.1 NC(=O)CCO CS-0205185 [2,0,0,0,0,0|2,0,0]=4 378 B5R0.1 NCCC(=O)O CS-0668359 [2,0,0,0,0,0|1,0,0]=3 379 B5R0.1 NCCC(=O)O CS-W020126 [2,0,0,0,0,0|1,0,0]=3 380 B5R0.1 NCCS(=O)O CS-6985 [2,0,0,0,0,0|2,0,0]=4 381 B5R0.1 NOCC(=O)O CS-8158 [2,0,0,0,0,0|2,0,0]=4 382 B5R0.1 O=C(O)CCF CS-0038385 [2,0,0,0,0,0|1,0,0]=3 383 B5R0.1 O=C(O)CCI CS-0204563 [2,0,0,0,0,0|1,0,0]=3 384 B5R0.1 O=C(O)CCO CS-0147832 [2,0,0,0,0,0|1,0,0]=3 385 B5R0.2 C=CCCCI CS-0135974 [2,0,0,0,0,0|1,0,1]=4 386 B5R0.2 C=CCCNC CS-0197692 [2,0,0,0,0,0|1,0,1]=4 387 B5R0.2 CCCCON CS-0106180 [2,0,0,0,0,0|1,0,0]=3 388 B5R0.2 CCNCCO CS-0076051 [2,0,0,0,0,0|1,0,1]=4 389 B5R0.2 CC\C=C\C=O CS-0173472 [2,0,0,0,0,0|0,0,2]=4 390 B5R0.2 CNCCCCl CS-0150991 [2,0,0,0,0,0|2,0,0]=4 391 B5R0.2 CNCCCO CS-W007469 [2,0,0,0,0,0|1,0,1]=4 392 B5R0.2 COCCC#N CS-0030563 [2,0,0,0,0,0|1,0,1]=4 393 B5R0.2 COCCCBr CS-W010945 [2,0,0,0,0,0|1,0,0]=3 394 B5R0.2 COCCNN CS-0249520 [2,0,0,0,0,0|2,0,0]=4 395 B5R0.2 CSCCCO CS-0015993 [2,0,0,0,0,0|1,0,1]=4 396 B5R0.2 C\C=C\CCO CS-0162245 [2,0,0,0,0,0|1,0,1]=4 397 B5R0.2 NCCCCO CS-W002041 [2,0,0,0,0,0|1,0,1]=4 398 B5R0.2 OCCCCBr CS-W000344 [2,0,0,0,0,0|1,0,1]=4 399 B5R0.2 OCCCCCl CS-0022417 [2,0,0,0,0,0|1,0,1]=4 400 B5R0.2 OCCCCF CS-0116811 [2,0,0,0,0,0|1,0,1]=4 401 B5R0.3 CCC(=O)CBr CS-0131119 [2,0,0,0,0,0|2,0,0]=4 402 B5R0.3 CCC(=O)CN CS-W005374 [2,0,0,0,0,0|2,0,0]=4 403 B5R0.3 CCC(=O)CO CS-W005327 [2,0,0,0,0,0|2,0,0]=4 404 B5R0.3 CCC(=O)NC CS-0179730 [2,0,0,0,0,0|1,0,0]=3 405 B5R0.3 CCC(=O)NN CS-0206618 [2,0,0,0,0,0|2,0,0]=4 406 B5R0.3 CCC(=O)O[K] CS-0019431 [2,0,0,0,0,0|1,0,0]=3 407 B5R0.3 CCC(=O)O[Na] CS-0013802 [2,0,0,0,0,0|1,0,0]=3 408 B5R0.3 CCS(=O)CC CS-0199213 [2,0,0,0,0,0|2,0,0]=4 409 B5R0.3 CCS(=O)O[Na] CS-0020098 [2,0,0,0,0,0|2,0,0]=4 410 B5R0.3 CNC(=O)CBr CS-0023001 [2,0,0,0,0,0|2,0,0]=4 411 B5R0.3 CNC(=O)CCl CS-W007769 [2,0,0,0,0,0|2,0,0]=4 412 B5R0.3 CNC(=O)CI CS-0244983 [2,0,0,0,0,0|2,0,0]=4 413 B5R0.3 CNC(=O)CN CS-0008246 [2,0,0,0,0,0|2,0,0]=4 414 B5R0.3 CNC(=O)CN CS-0130384 [2,0,0,0,0,0|2,0,0]=4 415 B5R0.3 COC(=N)CCl CS-0150960 [2,0,0,0,0,0|2,0,0]=4 416 B5R0.3 COC(=O)CI CS-0235696 [2,0,0,0,0,0|1,0,0]=3 417 B5R0.3 COC(=O)CN CS-W018508 [2,0,0,0,0,0|1,0,0]=3 418 B5R0.3 COC(=O)CO CS-W004068 [2,0,0,0,0,0|1,0,0]=3 419 B5R0.3 COC(=O)NN CS-0015902 [2,0,0,0,0,0|2,0,0]=4 420 B5R0.3 COC(=O)SCl CS-0313613 [2,0,0,0,0,0|2,0,0]=4 421 B5R0.3 COS(=O)OC CS-0230894 [2,0,0,0,0,0|2,0,0]=4 422 B5R0.3 NCC(=O)O[Na] CS-W016662 [2,0,0,0,0,0|2,0,0]=4 423 B5R0.3 O=C(CI)O[Na] CS-0014819 [2,0,0,0,0,0|2,0,0]=4 424 B5R0.3 O=C(CS)O[Na] CS-0197966 [2,0,0,0,0,0|2,0,0]=4 425 B7R0.2 CC(C)CC(=O)NN CS-0343165 [1,1,0,0,0,0|2,0,0]=4 426 B7R0.2 CC(O)CC(=O)O[Na] CS-W011168 [1,1,0,0,0,0|1,0,0]=3 427 B7R0.2 CCC(=O)CC(C)=O CS-W023089 [1,1,0,0,0,0|1,0,1]=4 428 B7R0.2 COC(=O)CC(=O)O CS-W007829 [1,1,0,0,0,0|1,0,1]=4 429 B7R0.2 COC(=O)CC(C)N CS-0147336 [1,1,0,0,0,0|0,0,0]=2 430 B7R0.2 COC(=O)CC(N)=O CS-W022821 [1,1,0,0,0,0|1,0,1]=4 431 B7R0.2 COC(=O)C[C@@H](C)N CS-0003933 [1,1,0,0,0,0|0,0,0]=2 432 B7R0.2 COC(=O)C[C@@H](C)N CS-0059282 [1,1,0,0,0,0|0,0,0]=2 433 B7R0.2 COC(=O)C[C@H](C)N CS-0147334 [1,1,0,0,0,0|0,0,0]=2 434 B7R0.2 COC(=O)C[N+](=O)[O-] CS-0130670 [1,1,0,0,0,0|2,0,0]=4 435 B7R0.2 COC(=O)\C=C(\C)N CS-W016602 [1,1,0,0,0,0|0,0,2]=4 436 B7R0.2 C[C@@H](O)CC(=O)O[Na] CS-W016567 [1,1,0,0,0,0|1,0,0]=3 437 B7R0.2 [C@@H](C)(O)CC(=O)OC CS-W013601 [1,1,0,0,0,0|0,0,0]=2 438 B7R0.2 [C@H](C)(O)CC(=O)OC CS-W011223 [1,1,0,0,0,0|0,0,0]=2 439 B7R0.5 CCCC(=O)C(C)=O CS-0258819 [1,1,0,0,0,0|1,0,0]=3 440 B7R0.5 CCOC(=O)C(C)=O CS-0017821 [1,1,0,0,0,0|2,0,0]=4 441 B7R0.5 CCOC(=O)C(C)N CS-0151889 [1,1,0,0,0,0|2,0,0]=4 442 B7R0.5 CCOC(=O)[C@H](C)F CS-0670914 [1,1,0,0,0,0|2,0,0]=4 443 B7R0.5 CCOC(=O)[C@H](C)N CS-0009409 [1,1,0,0,0,0|2,0,0]=4 444 B7R0.5 COCC(=O)N(C)C CS-0356748 [1,1,0,0,0,0|2,0,0]=4 445 B7R0.5 [C@H](C)(O)C(=O)OCC CS-W013602 [1,1,0,0,0,0|2,0,0]=4 446 B7R0.7 C#CCC(=O)OCC CS-0667023 [1,1,0,0,0,0|0,0,2]=4 447 B7R0.7 C=CCC(=O)OCC CS-0147250 [1,1,0,0,0,0|0,0,2]=4 448 B7R0.7 CC#CC(=O)OCC CS-W009547 [1,1,0,0,0,0|0,0,2]=4 449 B7R0.7 CCNC(=O)CCCl CS-0151980 [1,1,0,0,0,0|2,0,0]=4 450 B7R0.7 CCOC(=O)CCBr CS-W007449 [1,1,0,0,0,0|1,0,0]=3 451 B7R0.7 CCOC(=O)CCI CS-W002223 [1,1,0,0,0,0|1,0,0]=3 452 B7R0.7 CCOC(=O)CCN CS-W019943 [1,1,0,0,0,0|1,0,0]=3 453 B7R0.7 CCOC(=O)CCO CS-0139545 [1,1,0,0,0,0|1,0,0]=3 454 B7R0.7 CCOC(=O)CNC CS-W020595 [1,1,0,0,0,0|1,0,0]=3 455 B7R0.7 CCOC(=O)CNN CS-W002085 [1,1,0,0,0,0|2,0,0]=4 456 B7R0.7 CCOC(=O)COC CS-0008463 [1,1,0,0,0,0|1,0,0]=3 457 B7R0.7 CCOC(=O)CSC CS-0133049 [1,1,0,0,0,0|1,0,0]=3 458 B7R0.7 CCOC(=O)OCCl CS-W005334 [1,1,0,0,0,0|1,0,0]=3 459 B7R0.7 COCC(=O)COC CS-W007070 [1,1,0,0,0,0|1,0,0]=3 460 B7R0.7 O=C(CCCl)CCCl CS-W004439 [1,1,0,0,0,0|2,0,0]=4 461 B7R0.10 C=C(CO)C(=O)OC CS-W019505 [1,1,0,0,0,0|1,0,1]=4 462 B7R0.10 CCC(=O)C(=O)CC CS-W013639 [1,1,0,0,0,0|1,0,1]=4 463 B7R0.10 CCC(=O)C(=O)O[Na] CS-W005355 [1,1,0,0,0,0|1,0,1]=4 464 B7R0.10 CCC(N)C(=O)OC CS-W018067 [1,1,0,0,0,0|0,0,0]=2 465 B7R0.10 CC[C@@H](N)C(=O)OC CS-0059300 [1,1,0,0,0,0|0,0,0]=2 466 B7R0.10 CC[C@@H](O)C(=O)OC CS-0099841 [1,1,0,0,0,0|0,0,0]=2 467 B7R0.10 CC[C@H](N)C(=O)OC CS-0031391 [1,1,0,0,0,0|0,0,0]=2 468 B7R0.10 CC[C@H](O)C(=O)OC CS-0138542 [1,1,0,0,0,0|0,0,0]=2 469 B7R0.10 CN[C@@H](C)C(=O)OC CS-0068182 [1,1,0,0,0,0|1,0,0]=3 470 B7R0.10 COC(=O)C(=O)CBr CS-W008779 [1,1,0,0,0,0|1,0,1]=4 471 B7R0.10 COC(=O)C(Br)CO CS-0187469 [1,1,0,0,0,0|1,0,0]=3 472 B7R0.10 COC(=O)C(C)CN CS-0253549 [1,1,0,0,0,0|1,0,0]=3 473 B7R0.10 COC(=O)C(C)CO CS-0697290 [1,1,0,0,0,0|1,0,0]=3 474 B7R0.10 COC(=O)C(Cl)OC CS-0698983 [1,1,0,0,0,0|1,0,0]=3 475 B7R0.10 COC(=O)C(N)CO CS-W014338 [1,1,0,0,0,0|1,0,0]=3 476 B7R0.10 COC(=O)C(N)CS CS-0150913 [1,1,0,0,0,0|1,0,0]=3 477 B7R0.10 COC(=O)C(O)CN CS-0042395 [1,1,0,0,0,0|1,0,0]=3 478 B7R0.10 COC(=O)C(O)CO CS-0454216 [1,1,0,0,0,0|1,0,0]=3 479 B7R0.10 COC(=O)[C@@H](C)CBr CS-0130400 [1,1,0,0,0,0|1,0,0]=3 480 B7R0.10 COC(=O)[C@@H](C)CO CS-W023098 [1,1,0,0,0,0|1,0,0]=3 481 B7R0.10 COC(=O)[C@@H](N)CO CS-B1301 [1,1,0,0,0,0|1,0,0]=3 482 B7R0.10 COC(=O)[C@@H](N)CS CS-4557 [1,1,0,0,0,0|1,0,0]=3 483 B7R0.10 COC(=O)[C@@H](O)CN CS-0131698 [1,1,0,0,0,0|1,0,0]=3 484 B7R0.10 COC(=O)[C@@H](O)CO CS-W000794 [1,1,0,0,0,0|1,0,0]=3 485 B7R0.10 COC(=O)[C@H](C)CBr CS-0158189 [1,1,0,0,0,0|1,0,0]=3 486 B7R0.10 COC(=O)[C@H](C)CO CS-0019967 [1,1,0,0,0,0|1,0,0]=3 487 B7R0.10 COC(=O)[C@H](N)CCl CS-W017536 [1,1,0,0,0,0|1,0,0]=3 488 B7R0.10 COC(=O)[C@H](N)CS CS-W020211 [1,1,0,0,0,0|1,0,0]=3 489 B7R0.10 COC(=O)[C@H](O)CO CS-W023221 [1,1,0,0,0,0|1,0,0]=3 490 B7R0.10 [C@@H](N)(CO)C(=O)OC CS-W016249 [1,1,0,0,0,0|1,0,0]=3 491 B7R0.11 CCCS(=O)(=O)O[Na] CS-0148667 [1,1,0,0,0,0|2,0,0]=4 492 B7R0.4 C#CCCCC(=O)O CS-W009272 [1,1,0,0,0,0|0,0,1]=3 493 B7R0.4 C#CCOCC(=O)O CS-0070099 [1,1,0,0,0,0|0,0,2]=4 494 B7R0.4 C=CCCCC(=O)O CS-0113496 [1,1,0,0,0,0|0,0,1]=3 495 B7R0.4 CC(=O)CCCCCl CS-W013363 [1,1,0,0,0,0|0,0,0]=2 496 B7R0.4 CC(=O)OCCCCl CS-W017752 [1,1,0,0,0,0|1,0,0]=3 497 B7R0.4 CC(=O)OCCCI CS-0166646 [1,1,0,0,0,0|1,0,0]=3 498 B7R0.4 CC(C)CCCCBr CS-0154231 [1,1,0,0,0,0|1,0,1]=4 499 B7R0.4 CC(C)CCCCO CS-W011227 [1,1,0,0,0,0|1,0,1]=4 500 B7R0.4 CC(O)CCCCO CS-0572924 [1,1,0,0,0,0|0,0,2]=4 501 B7R0.4 CCCCCB(O)O CS-W018820 [1,1,0,0,0,0|1,0,1]=4 502 B7R0.4 CCCCCC(C)O CS-W016595 [1,1,0,0,0,0|0,0,2]=4 503 B7R0.4 CCCCC[C@@H](C)O CS-0152365 [1,1,0,0,0,0|0,0,2]=4 504 B7R0.4 CCCCC[C@H](C)O CS-0179417 [1,1,0,0,0,0|0,0,2]=4 505 B7R0.4 CCCCNC(N)=O CS-0071736 [1,1,0,0,0,0|1,0,0]=3 506 B7R0.4 CCCCNC(N)=S CS-0132422 [1,1,0,0,0,0|1,1,0]=4 507 B7R0.4 CCCCOC(=S)[S-] CS-0187867 [1,1,0,0,0,0|0,2,0]=4 508 B7R0.4 CCCNCC(=O)O CS-0250530 [1,1,0,0,0,0|0,0,0]=2 509 B7R0.4 CCCOCC(=O)O CS-0152048 [1,1,0,0,0,0|0,0,0]=2 510 B7R0.4 CCCSCC(=O)O CS-0651549 [1,1,0,0,0,0|0,0,0]=2 511 B7R0.4 CCC\C=C\C(=O)O CS-W011247 [1,1,0,0,0,0|0,0,1]=3 512 B7R0.4 CCC\C=C\C(C)=O CS-0152429 [1,1,0,0,0,0|0,0,1]=3 513 B7R0.4 CCO\C=C\C(=O)O CS-W019195 [1,1,0,0,0,0|0,0,2]=4 514 B7R0.4 CC\C=C\CC(=O)O CS-W011248 [1,1,0,0,0,0|0,0,1]=3 515 B7R0.4 CN(C)CCCCCl CS-0059660 [1,1,0,0,0,0|2,0,0]=4 516 B7R0.4 CN(C)CCCCN CS-0206346 [1,1,0,0,0,0|2,0,0]=4 517 B7R0.4 CN(C)CCCCN CS-0669419 [1,1,0,0,0,0|2,0,0]=4 518 B7R0.4 CN(C)CCCCO CS-W022016 [1,1,0,0,0,0|2,0,0]=4 519 B7R0.4 CNCCCC(=O)O CS-0096860 [1,1,0,0,0,0|0,0,0]=2 520 B7R0.4 CNCCCC(=O)O CS-0133777 [1,1,0,0,0,0|0,0,0]=2 521 B7R0.4 COCCCC(=O)O CS-W001021 [1,1,0,0,0,0|0,0,0]=2 522 B7R0.4 COC\C=C\C(=O)O CS-0100437 [1,1,0,0,0,0|0,0,2]=4 523 B7R0.4 C\C=C\CCC(=O)O CS-0232064 [1,1,0,0,0,0|0,0,1]=3 524 B7R0.4 N#CCCCC(=O)O CS-W018817 [1,1,0,0,0,0|0,0,1]=3 525 B7R0.4 NC(=O)COCCCl CS-0149936 [1,1,0,0,0,0|2,0,0]=4 526 B7R0.4 NCCCCC(=O)O CS-0181832 [1,1,0,0,0,0|0,0,0]=2 527 B7R0.4 NCCCCC(=O)O CS-W016594 [1,1,0,0,0,0|0,0,0]=2 528 B7R0.4 NCCNCC(=O)O CS-W013599 [1,1,0,0,0,0|1,0,0]=3 529 B7R0.4 NCCOCC(=O)O CS-0115741 [1,1,0,0,0,0|1,0,0]=3 530 B7R0.4 NCCOCC(=O)O CS-0115743 [1,1,0,0,0,0|1,0,0]=3 531 B7R0.4 NCCOCC(=O)O CS-0127947 [1,1,0,0,0,0|1,0,0]=3 532 B7R0.4 O=C(O)C#CCCO CS-0371334 [1,1,0,0,0,0|0,0,2]=4 533 B7R0.4 O=C(O)CCCCBr CS-W017172 [1,1,0,0,0,0|0,0,0]=2 534 B7R0.4 O=C(O)CCCCCl CS-W022362 [1,1,0,0,0,0|0,0,0]=2 535 B7R0.4 O=C(O)CNCCO CS-0158315 [1,1,0,0,0,0|1,0,0]=3 536 B7R0.4 O=C(O)COCCBr CS-0105329 [1,1,0,0,0,0|1,0,0]=3 537 B7R0.4 O=C(O)COCCCl CS-W006556 [1,1,0,0,0,0|1,0,0]=3 538 B7R0.4 O=C(O)COCCS CS-0115755 [1,1,0,0,0,0|1,0,0]=3 539 B7R0.4 O=C(O)COCCS CS-0115757 [1,1,0,0,0,0|1,0,0]=3 540 B7R0.4 O=C([O-])COCCO CS-0158309 [1,1,0,0,0,0|1,0,1]=4 541 B7R0.6 C=C(C)CCC(=O)O CS-0040142 [1,1,0,0,0,0|0,0,1]=3 542 B7R0.6 C=C(C)CCC(C)=O CS-0225159 [1,1,0,0,0,0|0,0,1]=3 543 B7R0.6 CC(=O)CCC(=O)O CS-0015813 [1,1,0,0,0,0|0,0,1]=3 544 B7R0.6 CC(=O)CCC(C)=O CS-D1203 [1,1,0,0,0,0|0,0,1]=3 545 B7R0.6 CC(=O)CNC(C)=O CS-0154040 [1,1,0,0,0,0|1,0,1]=4 546 B7R0.6 CC(=O)NCC(=O)O CS-W020121 [1,1,0,0,0,0|1,0,1]=4 547 B7R0.6 CC(=O)OCC(=O)O CS-0155005 [1,1,0,0,0,0|1,0,1]=4 548 B7R0.6 CC(=O)SCC(=O)O CS-0083252 [1,1,0,0,0,0|1,0,1]=4 549 B7R0.6 CC(=O)\C=C\C(C)C CS-0199438 [1,1,0,0,0,0|0,0,2]=4 550 B7R0.6 CC(=S)NCC(=O)O CS-0504830 [1,1,0,0,0,0|1,0,1]=4 551 B7R0.6 CC(C)CCB(O)O CS-0154235 [1,1,0,0,0,0|1,0,1]=4 552 B7R0.6 CC(C)CCC(=O)O CS-W016598 [1,1,0,0,0,0|0,0,0]=2 553 B7R0.6 CC(C)CCC(C)O CS-0225168 [1,1,0,0,0,0|0,0,2]=4 554 B7R0.6 CC(C)OCC(=O)O CS-0005425 [1,1,0,0,0,0|1,0,0]=3 555 B7R0.6 CC(C)\C=C\C(=O)O CS-0206284 [1,1,0,0,0,0|0,0,2]=4 556 B7R0.6 CC(C)\C=C\C(=O)O CS-0642794 [1,1,0,0,0,0|0,0,2]=4 557 B7R0.6 CC(N)CCC(=O)O CS-0276521 [1,1,0,0,0,0|0,0,0]=2 558 B7R0.6 CC(O)CCC(C)O CS-0377979 [1,1,0,0,0,0|0,0,2]=4 559 B7R0.6 CN(C)CCC(=O)O CS-W007826 [1,1,0,0,0,0|1,0,0]=3 560 B7R0.6 C[C@@H](O)CC[C@@H](C)O CS-0040431 [1,1,0,0,0,0|0,0,2]=4 561 B7R0.6 C[C@H](N)CCC(=O)O CS-0529054 [1,1,0,0,0,0|0,0,0]=2 562 B7R0.6 C[C@H](O)CC[C@H](C)O CS-W013595 [1,1,0,0,0,0|0,0,2]=4 563 B7R0.6 C[S+](C)CCC(=O)O CS-0158148 [1,1,0,0,0,0|1,0,0]=3 564 B7R0.6 O=C(O)CCC(=O)O CS-0008946 [1,1,0,0,0,0|1,0,1]=4 565 B7R0.6 O=C(O)CCC(=O)O CS-0966740 [1,1,0,0,0,0|1,0,1]=4 566 B7R0.6 O=C(O)CCC(F)F CS-0375270 [1,1,0,0,0,0|1,0,0]=3 567 B7R0.6 O=C(O)COC(F)F CS-0102315 [1,1,0,0,0,0|2,0,0]=4 568 B7R0.8 CCCCC(C)(C)O CS-0181812 [1,1,0,0,0,0|0,0,2]=4 569 B7R0.8 CCCC[N+](C)(C)C CS-0187556 [1,1,0,0,0,0|2,0,0]=4 570 B7R0.8 CCCOS(C)(=O)=O CS-0152047 [1,1,0,0,0,0|2,0,0]=4 571 B7R0.8 CNCCS(=O)(=O)O CS-0150990 [1,1,0,0,0,0|2,0,0]=4 572 B7R0.8 CS(=O)(=O)CCCBr CS-0142400 [1,1,0,0,0,0|2,0,0]=4 573 B7R0.8 CS(=O)(=O)CCCN CS-0150131 [1,1,0,0,0,0|2,0,0]=4 574 B7R0.8 CS(=O)(=O)CCCO CS-W004952 [1,1,0,0,0,0|2,0,0]=4 575 B7R0.8 NCCCP(=O)(O)O CS-0158336 [1,1,0,0,0,0|2,0,0]=4 576 B7R0.8 NCCCS(=O)(=O)O CS-5741 [1,1,0,0,0,0|2,0,0]=4 577 B7R0.8 O=S(=O)(O)CCCO CS-W016464 [1,1,0,0,0,0|2,0,0]=4 578 B7R0.1 CCCCCCCBr CS-W017293 [1,1,0,0,0,0|1,0,1]=4 579 B7R0.1 CCCCCCCO CS-0152146 [1,1,0,0,0,0|1,0,1]=4 580 B7R0.1 CCCCNCCO CS-0077079 [1,1,0,0,0,0|2,0,0]=4 581 B7R0.1 CCCC\C=C\C=O CS-0185633 [1,1,0,0,0,0|1,0,1]=4 582 B7R0.1 CCNCCCCO CS-0206547 [1,1,0,0,0,0|2,0,0]=4 583 B7R0.1 COCCOCCBr CS-0116183 [1,1,0,0,0,0|1,0,1]=4 584 B7R0.1 COCCOCCI CS-0150162 [1,1,0,0,0,0|1,0,1]=4 585 B7R0.1 COCCOCCN CS-0115786 [1,1,0,0,0,0|1,0,1]=4 586 B7R0.1 COCCOCCN CS-0115787 [1,1,0,0,0,0|1,0,1]=4 587 B7R0.1 COCCOCCN CS-0115788 [1,1,0,0,0,0|1,0,1]=4 588 B7R0.1 COCCOCCN CS-0115790 [1,1,0,0,0,0|1,0,1]=4 589 B7R0.1 COCCOCCN CS-W008429 [1,1,0,0,0,0|1,0,1]=4 590 B7R0.1 COCCOCCO CS-0116122 [1,1,0,0,0,0|1,0,1]=4 591 B7R0.1 COCCOCCO CS-0644881 [1,1,0,0,0,0|1,0,1]=4 592 B7R0.1 COCCOCCO CS-0889987 [1,1,0,0,0,0|1,0,1]=4 593 B7R0.1 COCCOCCO CS-W013578 [1,1,0,0,0,0|1,0,1]=4 594 B7R0.1 COCCOCCS CS-0115760 [1,1,0,0,0,0|1,0,1]=4 595 B7R0.1 COCCOCCS CS-0115764 [1,1,0,0,0,0|1,0,1]=4 596 B7R0.1 COCCOCCS CS-0650914 [1,1,0,0,0,0|1,0,1]=4 597 B9R0.4 CCCCC(C)OC(C)=O CS-0255972 [0,2,0,0,0,0|1,0,1]=4 598 B9R0.4 CCCOC(=O)CC(C)C CS-0453597 [0,2,0,0,0,0|2,0,0]=4 599 B9R0.5 C#CCCCC(=O)OCC CS-0532490 [0,2,0,0,0,0|0,0,1]=3 600 B9R0.5 CCCCOC(=O)CC#N CS-W016439 [0,2,0,0,0,0|1,0,1]=4 601 B9R0.5 CCC\C=C\C(=O)OCC CS-W018283 [0,2,0,0,0,0|0,0,1]=3 602 B9R0.5 CCOC(=O)CCCC#N CS-0151586 [0,2,0,0,0,0|0,0,1]=3 603 B9R0.5 CCOC(=O)CCCCBr CS-W008658 [0,2,0,0,0,0|0,0,0]=2 604 B9R0.5 CCOC(=O)CCCCN CS-W022699 [0,2,0,0,0,0|0,0,0]=2 605 B9R0.5 CCOC(=O)COCCCl CS-W018917 [0,2,0,0,0,0|1,0,0]=3 606 B9R0.5 CCOCCC(=O)OCC CS-W013312 [0,2,0,0,0,0|0,0,0]=2 607 B9R0.5 CCO\C=C\C(=O)OCC CS-0046174 [0,2,0,0,0,0|0,0,2]=4 608 B9R0.5 CCO\C=C\C(=O)OCC CS-W002052 [0,2,0,0,0,0|0,0,2]=4 609 B9R0.8 CCCCC(=O)N(C)OC CS-0123008 [0,2,0,0,0,0|0,0,0]=2 610 B9R0.8 CCCCC(Br)C(=O)OC CS-M2020 [0,2,0,0,0,0|0,0,0]=2 611 B9R0.8 CCCCC(N)C(=O)OC CS-W017144 [0,2,0,0,0,0|0,0,0]=2 612 B9R0.8 CCCC[C@H](N)C(=O)OC CS-0152444 [0,2,0,0,0,0|0,0,0]=2 613 B9R0.8 COC(=O)C(Br)CCCBr CS-0150917 [0,2,0,0,0,0|0,0,0]=2 614 B9R0.8 COC(=O)C(N)CCSC CS-0169307 [0,2,0,0,0,0|0,0,0]=2 615 B9R0.8 COC(=O)[C@@H](N)CCCN CS-W010477 [0,2,0,0,0,0|0,0,0]=2 616 B9R0.8 COC(=O)[C@@H](N)CCSC CS-W015632 [0,2,0,0,0,0|0,0,0]=2 617 B9R0.8 COC(=O)[C@H](N)CCSC CS-W015633 [0,2,0,0,0,0|0,0,0]=2 618 B9R0.8 CON(C)C(=O)CCCCl CS-0046358 [0,2,0,0,0,0|1,0,0]=3 619 B9R0.18 C=CCOC(=O)NCCBr CS-0697868 [0,2,0,0,0,0|2,0,0]=4 620 B9R0.18 C=CCOC(=O)NCCN CS-0151406 [0,2,0,0,0,0|2,0,0]=4 621 B9R0.18 CCCCC(=O)CCCC CS-W018275 [0,2,0,0,0,0|1,0,0]=3 622 B9R0.18 CCCCS(=O)CCCC CS-0181824 [0,2,0,0,0,0|2,0,0]=4 623 B9R0.18 O=C(CCCCl)CCCCl CS-W018764 [0,2,0,0,0,0|2,0,0]=4 624 B9R0.34 CCCC(=O)CC(=O)OC CS-W005176 [0,2,0,0,0,0|0,0,0]=2 625 B9R0.34 CCOC(=O)CC(=O)CC CS-W019881 [0,2,0,0,0,0|0,0,1]=3 626 B9R0.34 CCOC(=O)CC(=O)CCl CS-D1440 [0,2,0,0,0,0|1,0,1]=4 627 B9R0.34 CCOC(=O)CC(=O)NC CS-0151538 [0,2,0,0,0,0|1,0,1]=4 628 B9R0.34 CCOC(=O)CC(=O)O[K] CS-D1444 [0,2,0,0,0,0|1,0,1]=4 629 B9R0.34 CCOC(=O)C[C@@H](O)CCl CS-W010802 [0,2,0,0,0,0|1,0,0]=3 630 B9R0.34 CCOC(=O)C[C@H](O)CCl CS-W017853 [0,2,0,0,0,0|1,0,0]=3 631 B9R0.34 COCC(=O)CC(=O)OC CS-W007767 [0,2,0,0,0,0|0,0,1]=3 632 B9R0.35 C=CC[C@H](N)C(=O)OCC CS-0340794 [0,2,0,0,0,0|0,0,2]=4 633 B9R0.35 CCCC(Br)C(=O)OCC CS-W015179 [0,2,0,0,0,0|0,0,0]=2 634 B9R0.35 CCC[C@@H](N)C(=O)OCC CS-0539079 [0,2,0,0,0,0|0,0,0]=2 635 B9R0.35 CCC[C@H](N)C(=O)OCC CS-M0539 [0,2,0,0,0,0|0,0,0]=2 636 B9R0.35 CCOC(=N)C(=O)OCC CS-W006056 [0,2,0,0,0,0|1,0,1]=4 637 B9R0.35 CCOC(=O)C(Cl)OCC CS-0663093 [0,2,0,0,0,0|1,0,0]=3 638 B9R0.35 CCOC(=O)C(N)CSC CS-0311793 [0,2,0,0,0,0|1,0,0]=3 639 B9R0.48 C=C(C)CCC(=O)OCC CS-W018285 [0,2,0,0,0,0|0,0,1]=3 640 B9R0.48 CCOC(=O)CCC(=O)O CS-W013313 [0,2,0,0,0,0|1,0,1]=4 641 B9R0.48 CCOC(=O)CCC(C)=O CS-0204023 [0,2,0,0,0,0|0,0,1]=3 642 B9R0.48 CCOC(=O)CCC(C)Br CS-0139323 [0,2,0,0,0,0|0,0,0]=2 643 B9R0.48 CCOC(=O)CCC(C)C CS-0151589 [0,2,0,0,0,0|0,0,0]=2 644 B9R0.48 CCOC(=O)CCN(C)C CS-0124937 [0,2,0,0,0,0|1,0,0]=3 645 B9R0.48 CCOC(=O)CNC(C)=O CS-W016367 [0,2,0,0,0,0|1,0,1]=4 646 B9R0.23 CC(C)CC(=O)C(=O)O[Na] CS-W018103 [0,2,0,0,0,0|1,0,1]=4 647 B9R0.23 CNC(=O)C(N)CC(C)C CS-0273991 [0,2,0,0,0,0|1,0,0]=3 648 B9R0.23 COC(=O)C(=O)CC(C)=O CS-W009533 [0,2,0,0,0,0|0,0,2]=4 649 B9R0.23 COC(=O)C(Br)CC(C)C CS-0465894 [0,2,0,0,0,0|0,0,0]=2 650 B9R0.23 COC(=O)C(C)NC(C)=O CS-0154002 [0,2,0,0,0,0|1,0,1]=4 651 B9R0.23 COC(=O)C(N)CC(=O)O CS-0101210 [0,2,0,0,0,0|1,0,1]=4 652 B9R0.23 COC(=O)C(N)CC(C)C CS-0213107 [0,2,0,0,0,0|0,0,0]=2 653 B9R0.23 COC(=O)C(O)CC(C)C CS-0033017 [0,2,0,0,0,0|0,0,0]=2 654 B9R0.23 COC(=O)[C@@H](C)NC(C)=O CS-0158251 [0,2,0,0,0,0|1,0,1]=4 655 B9R0.23 COC(=O)[C@@H](N)CC(=O)O CS-W018215 [0,2,0,0,0,0|1,0,1]=4 656 B9R0.23 COC(=O)[C@H](C)NC(C)=O CS-0158183 [0,2,0,0,0,0|1,0,1]=4 657 B9R0.23 COC(=O)[C@H](N)CC(=O)O CS-0128336 [0,2,0,0,0,0|1,0,1]=4 658 B9R0.23 COC(=O)[C@H](N)CC(C)C CS-W017141 [0,2,0,0,0,0|0,0,0]=2 659 B9R0.23 COC(=O)[C@H](N)CC(N)=O CS-0143814 [0,2,0,0,0,0|1,0,1]=4 660 B9R0.23 [C@H](N)(CC(C)C)C(=O)OC CS-W017143 [0,2,0,0,0,0|0,0,0]=2 661 B9R0.27 CCC(=O)C(F)C(=O)OC CS-M3568 [0,2,0,0,0,0|0,0,1]=3 662 B9R0.27 CCC(C)C(=O)C(=O)O[Na] CS-W018102 [0,2,0,0,0,0|1,0,1]=4 663 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC CS-W017139 [0,2,0,0,0,0|0,0,0]=2 664 B9R0.27 COC(=O)C(C)C(=O)OC CS-W010994 [0,2,0,0,0,0|1,0,1]=4 665 B9R0.27 COC(=O)C(Cl)C(=O)OC CS-W010804 [0,2,0,0,0,0|1,0,1]=4 666 B9R0.27 COC(=O)C(F)C(=O)OC CS-0020165 [0,2,0,0,0,0|1,0,1]=4 667 B9R0.27 COC(=O)C(N)C(=O)OC CS-0132445 [0,2,0,0,0,0|1,0,1]=4 668 B9R0.27 COC(=O)[C@@H](Br)[C@H](O)CBr CS-0135565 [0,2,0,0,0,0|1,0,0]=3 669 B9R0.1 COC(=O)CCCC(=O)O CS-W018239 [0,2,0,0,0,0|0,0,1]=3 670 B9R0.1 COC(=O)CCCC(C)=O CS-0090564 [0,2,0,0,0,0|0,0,0]=2 671 B9R0.1 COC(=O)CCC[N+](=O)[O-] CS-0039131 [0,2,0,0,0,0|1,0,0]=3 672 B9R0.20 CCCCCS(=O)(=O)O[Na] CS-W017507 [0,2,0,0,0,0|2,0,0]=4 673 B9R0.24 CCC(=O)CCC(=O)CC CS-0152646 [0,2,0,0,0,0|1,0,0]=3 674 B9R0.24 COC(=O)CCC(=O)CBr CS-0042170 [0,2,0,0,0,0|0,0,1]=3 675 B9R0.24 COC(=O)CCC(=O)CN CS-W009212 [0,2,0,0,0,0|0,0,1]=3 676 B9R0.24 COC(=O)CCC(=O)OC CS-0015787 [0,2,0,0,0,0|0,0,1]=3 677 B9R0.24 COC(=O)CNC(=O)CN CS-0150654 [0,2,0,0,0,0|1,0,1]=4 678 B9R0.46 C=CC(=O)OCCCCO CS-0167368 [0,2,0,0,0,0|1,0,1]=4 679 B9R0.46 CCCCCCC(=O)CC CS-0330265 [0,2,0,0,0,0|1,0,0]=3 680 B9R0.46 CCCCCCC(=O)NN CS-0215224 [0,2,0,0,0,0|2,0,0]=4 681 B9R0.46 CCCCCCC(=O)OC CS-0182587 [0,2,0,0,0,0|0,0,0]=2 682 B9R0.46 CCCCCCC(=O)O[Na] CS-0182616 [0,2,0,0,0,0|1,0,0]=3 683 B9R0.46 COC(=O)CCCCCBr CS-W015176 [0,2,0,0,0,0|0,0,0]=2 684 B9R0.46 COC(=O)CCCCCN CS-W008066 [0,2,0,0,0,0|0,0,0]=2 685 B9R0.46 COC(=O)CCCCCO CS-0187523 [0,2,0,0,0,0|0,0,0]=2 686 B9R0.46 NCCCCNC(=O)CCl CS-0224033 [0,2,0,0,0,0|2,0,0]=4 687 B9R0.47 C=C(C)C(=O)NCCCN CS-W002334 [0,2,0,0,0,0|2,0,0]=4 688 B9R0.47 C=C(C)C(=O)OCCOC CS-W016392 [0,2,0,0,0,0|2,0,0]=4 689 B9R0.47 CCCCOC(=O)[C@H](C)N CS-0523493 [0,2,0,0,0,0|1,0,0]=3 690 B9R0.47 CCCCOC(=O)[C@H](C)O CS-0451298 [0,2,0,0,0,0|1,0,0]=3 691 B9R0.7 C=C(C)C(=O)NCC(C)O CS-0115777 [0,2,0,0,0,0|2,0,0]=4 692 B9R0.7 CC(C)COC(=O)[C@H](C)N CS-0199364 [0,2,0,0,0,0|2,0,0]=4 693 B9R0.13 CCCCC(CC)C(=O)O CS-0196714 [0,2,0,0,0,0|1,0,1]=4 694 B9R0.13 CCCCC(CC)C(=O)O CS-W016381 [0,2,0,0,0,0|1,0,1]=4 695 B9R0.13 CCCCC(CC)C(=O)[O-] CS-0106411 [0,2,0,0,0,0|1,0,1]=4 696 B9R0.13 CCCCC(CC)C(=O)[O-] CS-0152385 [0,2,0,0,0,0|1,0,1]=4 697 B9R0.42 CCC(=O)OC(Cl)C(C)C CS-0152640 [0,2,0,0,0,0|2,0,0]=4 698 B9R0.42 COC(=O)CC(=O)C(C)Br CS-0008962 [0,2,0,0,0,0|0,0,1]=3 699 B9R0.42 COC(=O)CC(=O)C(C)C CS-0015396 [0,2,0,0,0,0|0,0,1]=3 700 B9R0.42 COC(=O)CC(N)C(=O)O CS-0079863 [0,2,0,0,0,0|1,0,1]=4 701 B9R0.42 COC(=O)C[C@@H](C)C(=O)O CS-0186135 [0,2,0,0,0,0|1,0,1]=4 702 B9R0.42 COC(=O)C[C@@H](N)C(=O)O CS-0135221 [0,2,0,0,0,0|1,0,1]=4 703 B9R0.42 COC(=O)C[C@@H](N)C(C)C CS-0171929 [0,2,0,0,0,0|0,0,0]=2 704 B9R0.42 COC(=O)C[C@H](C)C(=O)O CS-0309762 [0,2,0,0,0,0|1,0,1]=4 705 B9R0.42 COC(=O)C[C@H](N)C(=O)O CS-0019407 [0,2,0,0,0,0|1,0,1]=4 706 B9R0.42 COC(=O)C[C@H](N)C(=O)O CS-0131131 [0,2,0,0,0,0|1,0,1]=4 707 B9R0.42 COC(=O)C[C@H](N)C(C)C CS-0171932 [0,2,0,0,0,0|0,0,0]=2 708 B9R0.21 COC(=O)CC[B-](F)(F)F CS-W004011 [0,2,0,0,0,0|2,0,0]=4 709 B9R0.21 COC(=O)OCC(F)(F)F CS-0162373 [0,2,0,0,0,0|2,0,0]=4 710 B9R0.26 CCN(CC)CC(=O)O[Na] CS-0017849 [0,2,0,0,0,0|2,0,0]=4 711 B9R0.26 COC(=O)CC(OC)OC CS-W018190 [0,2,0,0,0,0|1,0,0]=3 712 B7R1.1 COC1=NCCC1 CS-W022401 [1,0,0,1,0,0|1,0,0]=3 713 B7R1.2 CC1CCC(=O)O1 CS-W016654 [1,0,0,1,0,0|2,0,0]=4 714 B7R1.2 CC1CNC(=O)C1 CS-0040667 [1,0,0,1,0,0|1,0,0]=3 715 B7R1.2 CC1COC(=O)N1 CS-0181060 [1,0,0,1,0,0|1,0,0]=3 716 B7R1.2 CN1CCC(=O)C1 CS-0172438 [1,0,0,1,0,0|2,0,0]=4 717 B7R1.2 C[C@@H]1CCC(=O)N1 CS-0046592 [1,0,0,1,0,0|2,0,0]=4 718 B7R1.2 C[C@@H]1CNC(=O)O1 CS-0416189 [1,0,0,1,0,0|2,0,0]=4 719 B7R1.2 C[C@@H]1COC(=O)N1 CS-0158229 [1,0,0,1,0,0|1,0,0]=3 720 B7R1.2 C[C@@H]1COC(=O)O1 CS-0015926 [1,0,0,1,0,0|1,0,0]=3 721 B7R1.2 C[C@H]1CC(=O)CN1 CS-0567258 [1,0,0,1,0,0|2,0,0]=4 722 B7R1.2 C[C@H]1CCC(=O)N1 CS-0046594 [1,0,0,1,0,0|2,0,0]=4 723 B7R1.2 C[C@H]1CNC(=O)C1 CS-0055121 [1,0,0,1,0,0|1,0,0]=3 724 B7R1.2 C[C@H]1COC(=O)N1 CS-0059840 [1,0,0,1,0,0|1,0,0]=3 725 B7R1.2 C[C@H]1COC(=O)O1 CS-W011314 [1,0,0,1,0,0|1,0,0]=3 726 B7R1.2 NC1CNC(=O)C1 CS-W023257 [1,0,0,1,0,0|2,0,0]=4 727 B7R1.2 N[C@@H]1CNC(=O)C1 CS-W003954 [1,0,0,1,0,0|2,0,0]=4 728 B7R1.2 N[C@@H]1COC(=O)C1 CS-W009169 [1,0,0,1,0,0|1,0,0]=3 729 B7R1.2 N[C@H]1COC(=O)C1 CS-B1346 [1,0,0,1,0,0|1,0,0]=3 730 B7R1.2 O=C1CC(O)CN1 CS-W018808 [1,0,0,1,0,0|2,0,0]=4 731 B7R1.2 O=C1CCC(O)C1 CS-0051334 [1,0,0,1,0,0|2,0,0]=4 732 B7R1.2 O=C1COC(=O)C1 CS-W016655 [1,0,0,1,0,0|1,0,1]=4 733 B7R1.2 O=C1C[C@@H](O)CN1 CS-W013709 [1,0,0,1,0,0|2,0,0]=4 734 B7R1.2 O=C1C[C@H](O)CN1 CS-W002597 [1,0,0,1,0,0|2,0,0]=4 735 B7R1.2 O=C1OCC(Cl)O1 CS-0046028 [1,0,0,1,0,0|2,0,0]=4 736 B7R1.2 O=C1OCC(F)O1 CS-0155468 [1,0,0,1,0,0|2,0,0]=4 737 B7R1.2 [C@@H]1(O)COC(=O)C1 CS-W013702 [1,0,0,1,0,0|1,0,0]=3 738 B7R1.3 BrC1=CCCCC1 CS-0155410 [1,0,0,1,0,0|2,0,0]=4 739 B7R1.3 CC1=NCCCO1 CS-1006941 [1,0,0,1,0,0|2,0,0]=4 740 B7R1.3 O=C1CCCCN1 CS-W022933 [1,0,0,1,0,0|1,0,0]=3 741 B7R1.3 O=C1CCCCO1 CS-W013713 [1,0,0,1,0,0|0,0,0]=2 742 B7R1.3 O=C1CCCNC1 CS-0048756 [1,0,0,1,0,0|2,0,0]=4 743 B7R1.3 O=C1CCCNC1 CS-0185548 [1,0,0,1,0,0|2,0,0]=4 744 B7R1.3 O=C1CCCOC1 CS-D1576 [1,0,0,1,0,0|2,0,0]=4 745 B7R1.3 O=C1CCCSC1 CS-D0446 [1,0,0,1,0,0|2,0,0]=4 746 B7R1.3 O=C1CCOCC1 CS-D0601 [1,0,0,1,0,0|2,0,0]=4 747 B7R1.3 O=C1CCSCC1 CS-W002007 [1,0,0,1,0,0|2,0,0]=4 748 B7R1.3 O=C1CNCCN1 CS-B0039 [1,0,0,1,0,0|2,0,0]=4 749 B7R1.3 O=C1CNCCO1 CS-0098127 [1,0,0,1,0,0|1,0,0]=3 750 B7R1.3 O=C1COCCN1 CS-D1427 [1,0,0,1,0,0|2,0,0]=4 751 B7R1.3 O=C1COCCO1 CS-0031423 [1,0,0,1,0,0|1,0,0]=3 752 B7R1.3 O=C1CSCCN1 CS-W019146 [1,0,0,1,0,0|2,0,0]=4 753 B7R1.3 O=C1NCCCO1 CS-0088044 [1,0,0,1,0,0|1,0,0]=3 754 B7R1.3 O=C1OCCCO1 CS-0155207 [1,0,0,1,0,0|1,0,0]=3 755 B7R1.3 OC1CCCCO1 CS-0015921 [1,0,0,1,0,0|0,0,2]=4 756 B7R1.3 S=C1CCCCC1 CS-0661522 [1,0,0,1,0,0|1,1,0]=4 757 B7R1.4 CC1=CCCC1=O CS-0180943 [1,0,0,1,0,0|1,0,1]=4 758 B7R1.4 CC1CCNC1=O CS-W004958 [1,0,0,1,0,0|2,0,0]=4 759 B7R1.4 CC1CCOC1=O CS-0152675 [1,0,0,1,0,0|2,0,0]=4 760 B7R1.4 CC1OCCC1=O CS-W011324 [1,0,0,1,0,0|2,0,0]=4 761 B7R1.4 CC1SCCC1=O CS-W011228 [1,0,0,1,0,0|2,0,0]=4 762 B7R1.4 CN1CCCC1=O CS-0017258 [1,0,0,1,0,0|1,0,0]=3 763 B7R1.4 CN1CCCC1=S CS-W013619 [1,0,0,1,0,0|1,1,0]=4 764 B7R1.4 CN1CCNC1=O CS-W005507 [1,0,0,1,0,0|2,0,0]=4 765 B7R1.4 CN1CCOC1=O CS-W016647 [1,0,0,1,0,0|2,0,0]=4 766 B7R1.4 NN1CCCC1=O CS-D0019 [1,0,0,1,0,0|2,0,0]=4 767 B7R1.22 COC(=O)[C@@H]1CO1 CS-0063139 [1,0,0,1,0,0|1,0,0]=3 768 B7R1.22 COC(=O)[C@H]1CO1 CS-B1238 [1,0,0,1,0,0|1,0,0]=3 769 B7R1.22 NNC(=O)C1CC1 CS-D0255 [1,0,0,1,0,0|2,0,0]=4 770 B7R1.22 O=C(CO)C1CC1 CS-0230656 [1,0,0,1,0,0|2,0,0]=4 771 B7R1.22 O=C(O[K])[C@@H]1CO1 CS-0132936 [1,0,0,1,0,0|2,0,0]=4 772 B7R1.22 O=S(O[Na])C1CC1 CS-W023133 [1,0,0,1,0,0|2,0,0]=4 773 B7R1.12 CC1CC1C(=O)O CS-0072900 [1,0,0,1,0,0|0,0,0]=2 774 B7R1.12 C[C@@H]1C[C@H]1C(=O)O CS-0047824 [1,0,0,1,0,0|0,0,0]=2 775 B7R1.12 C[C@H]1C[C@@H]1C(=O)O CS-0089165 [1,0,0,1,0,0|0,0,0]=2 776 B7R1.12 O=C(O)C1CC1F CS-W006378 [1,0,0,1,0,0|1,0,0]=3 777 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F CS-0029963 [1,0,0,1,0,0|1,0,0]=3 778 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS-M3337 [1,0,0,1,0,0|1,0,0]=3 779 B7R1.12 O=C(O)[C@@H]1C[C@H]1F CS-0058705 [1,0,0,1,0,0|1,0,0]=3 780 B7R1.12 O=C(O)[C@@H]1C[C@H]1F CS-W000621 [1,0,0,1,0,0|1,0,0]=3 781 B7R1.12 O=C(O)[C@H]1C[C@@H]1F CS-0053630 [1,0,0,1,0,0|1,0,0]=3 782 B7R1.12 O=C(O)[C@H]1C[C@H]1F CS-0031485 [1,0,0,1,0,0|1,0,0]=3 783 B7R1.12 O=C(O)[C@H]1C[C@H]1F CS-W020398 [1,0,0,1,0,0|1,0,0]=3 784 B7R1.14 CC1(N)CCCC1 CS-0119714 [1,0,0,1,0,0|1,0,1]=4 785 B7R1.18 CC(N)C1CCC1 CS-0052584 [1,0,0,1,0,0|1,0,1]=4 786 B7R1.18 CC(O)C1CCC1 CS-W006217 [1,0,0,1,0,0|0,0,2]=4 787 B7R1.18 NC(=O)C1CCC1 CS-D0904 [1,0,0,1,0,0|1,0,0]=3 788 B7R1.18 O=C(O)C1=CCC1 CS-0155456 [1,0,0,1,0,0|0,0,2]=4 789 B7R1.18 O=C(O)C1CCC1 CS-W011325 [1,0,0,1,0,0|0,0,0]=2 790 B7R1.18 O=C(O)C1CCN1 CS-M0178 [1,0,0,1,0,0|1,0,0]=3 791 B7R1.18 O=C(O)C1CCO1 CS-W006382 [1,0,0,1,0,0|1,0,0]=3 792 B7R1.18 O=C(O)C1CNC1 CS-0067915 [1,0,0,1,0,0|1,0,0]=3 793 B7R1.18 O=C(O)C1CNC1 CS-W019846 [1,0,0,1,0,0|1,0,0]=3 794 B7R1.18 O=C(O)[C@@H]1CCN1 CS-0031389 [1,0,0,1,0,0|1,0,0]=3 795 B7R1.18 O=C(O)[C@@H]1CCO1 CS-0148269 [1,0,0,1,0,0|1,0,0]=3 796 B7R1.18 O=C(O)[C@H]1CCN1 CS-W018478 [1,0,0,1,0,0|1,0,0]=3 797 B7R1.18 OB(O)C1CCC1 CS-W001218 [1,0,0,1,0,0|1,0,1]=4 798 B7R1.20 NC(=O)NC1CC1 CS-0073680 [1,0,0,1,0,0|2,0,0]=4 799 B7R1.20 O=C(O)CC1CC1 CS-W011326 [1,0,0,1,0,0|0,0,0]=2 800 B7R1.24 C1CNCCOC1 CS-0171615 [1,0,0,1,0,0|1,0,1]=4 801 B7R1.24 C1CNCCOC1 CS-B1101 [1,0,0,1,0,0|1,0,1]=4 802 B9R1.2 CCN1CCNC(=O)C1 CS-0145869 [0,1,0,1,0,0|2,0,0]=4 803 B9R1.2 COC1=CC(=O)CCC1 CS-0100011 [0,1,0,1,0,0|1,0,1]=4 804 B9R1.2 CSC1CCCC(=O)C1 CS-0237612 [0,1,0,1,0,0|2,0,0]=4 805 B9R1.2 NCC1CCNC(=O)C1 CS-0037079 [0,1,0,1,0,0|2,0,0]=4 806 B9R1.2 O=C1CC(CO)CCN1 CS-0051145 [0,1,0,1,0,0|2,0,0]=4 807 B9R1.2 O=C1COCC(CO)N1 CS-W022261 [0,1,0,1,0,0|2,0,0]=4 808 B9R1.2 O=C1COC[C@H](CO)N1 CS-0146689 [0,1,0,1,0,0|2,0,0]=4 809 B9R1.7 CCCC1CNC(=O)C1 CS-0061478 [0,1,0,1,0,0|1,0,0]=3 810 B9R1.7 CCCC1COC(=O)O1 CS-0134586 [0,1,0,1,0,0|0,0,0]=2 811 B9R1.7 CCC[C@@H]1COC(=O)C1 CS-0188536 [0,1,0,1,0,0|0,0,0]=2 812 B9R1.7 O=S1OCC(CCCl)O1 CS-M1076 [0,1,0,1,0,0|2,0,0]=4 813 B9R1.8 CCOC1=NCCCC1 CS-0188155 [0,1,0,1,0,0|1,0,0]=3 814 B9R1.8 COCC1CCCCN1 CS-0207116 [0,1,0,1,0,0|1,0,1]=4 815 B9R1.8 NCCC1=CCCCC1 CS-0072656 [0,1,0,1,0,0|2,0,0]=4 816 B9R1.15 CCC1CCCCC1=O CS-0103893 [0,1,0,1,0,0|1,0,0]=3 817 B9R1.15 COC1COCCC1=O CS-0051285 [0,1,0,1,0,0|1,0,0]=3 818 B9R1.15 N#CC1CCCCC1=O CS-0054141 [0,1,0,1,0,0|1,0,1]=4 819 B9R1.33 NCCN1CCOC1=O CS-0040773 [0,1,0,1,0,0|2,0,0]=4 820 B9R1.48 O=C1CCCCC(=O)C1 CS-W002860 [0,1,0,1,0,0|1,0,1]=4 821 B9R1.48 O=C1CCCCC(=O)O1 CS-W019642 [0,1,0,1,0,0|0,0,1]=3 822 B9R1.49 CN1CCCC(=O)CC1 CS-W003427 [0,1,0,1,0,0|1,0,0]=3 823 B9R1.49 O=C1CCCC(O)CN1 CS-0187220 [0,1,0,1,0,0|1,0,0]=3 824 B9R1.50 O=C1CCCCCCC1 CS-W007564 [0,1,0,1,0,0|1,0,0]=3 825 B9R1.50 O=C1CCCCCCN1 CS-W022575 [0,1,0,1,0,0|1,0,0]=3 826 B9R1.69 CC1CN(C)CCC1=O CS-M1154 [0,1,0,1,0,0|2,0,0]=4 827 B9R1.69 CN1CC(N)CCC1=O CS-0053895 [0,1,0,1,0,0|1,0,0]=3 828 B9R1.69 CN1CC(N)CCC1=O CS-0437722 [0,1,0,1,0,0|1,0,0]=3 829 B9R1.69 C[C@@H]1CN(C)C(=O)CN1 CS-0183800 [0,1,0,1,0,0|2,0,0]=4 830 B9R1.69 C[C@H]1CN(C)C(=O)CN1 CS-0053137 [0,1,0,1,0,0|2,0,0]=4 831 B9R1.73 CCOC(=N)C1CCC1 CS-B1686 [0,1,0,1,0,0|1,0,0]=3 832 B9R1.73 CCOC(=O)C1CCC1 CS-D1706 [0,1,0,1,0,0|0,0,0]=2 833 B9R1.73 CCOC(=O)C1CNC1 CS-0045521 [0,1,0,1,0,0|1,0,0]=3 834 B9R1.75 CCOC(=O)C=C1CC1 CS-0340229 [0,1,0,1,0,0|0,0,2]=4 835 B9R1.75 CCOC(=O)CC1CC1 CS-W000547 [0,1,0,1,0,0|0,0,0]=2 836 B9R1.3 CC1C(=O)CCCC1=O CS-W019564 [0,1,0,1,0,0|1,0,1]=4 837 B9R1.3 CC1CCCC(C)C1=O CS-0215006 [0,1,0,1,0,0|1,0,0]=3 838 B9R1.3 CN1C(=O)CCCC1=O CS-0151200 [0,1,0,1,0,0|1,0,1]=4 839 B9R1.3 CN1CCCN(C)C1=O CS-W009128 [0,1,0,1,0,0|2,0,0]=4 840 B9R1.3 C[C@H]1NCCN(C)C1=O CS-0341873 [0,1,0,1,0,0|2,0,0]=4 841 B9R1.5 NC1CCCCNC1=O CS-W002296 [0,1,0,1,0,0|1,0,0]=3 842 B9R1.5 N[C@@H]1CCCCNC1=O CS-0112895 [0,1,0,1,0,0|1,0,0]=3 843 B9R1.5 N[C@H]1CCCCNC1=O CS-W002297 [0,1,0,1,0,0|1,0,0]=3 844 B9R1.5 N[C@H]1CCCCNC1=O CS-W016082 [0,1,0,1,0,0|1,0,0]=3 845 B9R1.11 CNC(=O)C1CCNC1 CS-0188103 [0,1,0,1,0,0|1,0,0]=3 846 B9R1.11 CNC(=O)[C@@H]1CCCN1 CS-WAA0154 [0,1,0,1,0,0|1,0,0]=3 847 B9R1.11 COC(=O)C1=CCCC1 CS-D0999 [0,1,0,1,0,0|0,0,1]=3 848 B9R1.11 COC(=O)C1CC=CC1 CS-W003142 [0,1,0,1,0,0|0,0,1]=3 849 B9R1.11 COC(=O)C1CCCC1 CS-W005310 [0,1,0,1,0,0|0,0,0]=2 850 B9R1.11 COC(=O)C1CCCN1 CS-W004744 [0,1,0,1,0,0|0,0,0]=2 851 B9R1.11 COC(=O)C1CCCO1 CS-0096501 [0,1,0,1,0,0|0,0,0]=2 852 B9R1.11 COC(=O)C1CCNC1 CS-W001842 [0,1,0,1,0,0|0,0,0]=2 853 B9R1.11 COC(=O)C1CCOC1 CS-W004271 [0,1,0,1,0,0|0,0,0]=2 854 B9R1.11 COC(=O)[C@@H]1CCCN1 CS-M0706 [0,1,0,1,0,0|0,0,0]=2 855 B9R1.11 COC(=O)[C@@H]1CCNC1 CS-B0685 [0,1,0,1,0,0|0,0,0]=2 856 B9R1.11 NCC(=O)N1CCCC1 CS-0055114 [0,1,0,1,0,0|2,0,0]=4 857 B9R1.11 O=C(CBr)N1CCCC1 CS-0461588 [0,1,0,1,0,0|2,0,0]=4 858 B9R1.11 O=C(CCl)N1CCCC1 CS-0037280 [0,1,0,1,0,0|2,0,0]=4 859 B9R1.11 O=C(O[Na])[C@@H]1CCCN1 CS-0091626 [0,1,0,1,0,0|1,0,0]=3 860 B9R1.11 O=S(O[Na])C1CCOC1 CS-0530358 [0,1,0,1,0,0|2,0,0]=4 861 B9R1.11 [C@H]1(C(=O)OC)CCCN1 CS-W010818 [0,1,0,1,0,0|0,0,0]=2 862 B9R1.11 [C@H]1(C(=O)OC)CCNC1 CS-W005089 [0,1,0,1,0,0|0,0,0]=2 863 B9R1.37 CC1CC(C)C(=O)C1=O CS-0238807 [0,1,0,1,0,0|2,0,0]=4 864 B9R1.82 C=C1CC(C(=O)OC)C1 CS-0046881 [0,1,0,1,0,0|0,0,1]=3 865 B9R1.82 COC(=O)C1CC(=O)C1 CS-W007372 [0,1,0,1,0,0|0,0,1]=3 866 B9R1.82 COC(=O)C1CC(F)C1 CS-0184849 [0,1,0,1,0,0|0,0,0]=2 867 B9R1.82 COC(=O)C1CC(N)C1 CS-W003888 [0,1,0,1,0,0|0,0,0]=2 868 B9R1.82 COC(=O)C1CC(O)C1 CS-0044067 [0,1,0,1,0,0|0,0,0]=2 869 B9R1.82 COC(=O)[C@H]1C[C@@H](N)C1 CS-W022617 [0,1,0,1,0,0|0,0,0]=2 870 B9R1.82 COC(=O)[C@H]1C[C@@H](O)C1 CS-0043491 [0,1,0,1,0,0|0,0,0]=2 871 B9R1.82 COC(=O)[C@H]1C[C@H](Br)C1 CS-0048877 [0,1,0,1,0,0|0,0,0]=2 872 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 CS-0048879 [0,1,0,1,0,0|0,0,0]=2 873 B9R1.82 [C@H]1(O)C[C@H](C(=O)OC)C1 CS-W004965 [0,1,0,1,0,0|0,0,0]=2 874 B9R1.88 COC(=O)C1CC1C#N CS-0514359 [0,1,0,1,0,0|0,0,1]=3 875 B9R1.88 COC(=O)[C@@H]1C[C@H]1CO CS-0078750 [0,1,0,1,0,0|0,0,0]=2 876 B9R1.101 COC(=O)C(N)C1CC1 CS-W005014 [0,1,0,1,0,0|0,0,0]=2 877 B9R1.101 COC(=O)[C@@H](N)C1CC1 CS-0150941 [0,1,0,1,0,0|0,0,0]=2 878 B9R1.101 COC(=O)[C@H](N)C1CC1 CS-0111776 [0,1,0,1,0,0|0,0,0]=2 879 B9R1.132 CN1C(=O)CCC1CO CS-W001672 [0,1,0,1,0,0|1,0,0]=3 880 B9R1.186 COC(=O)C1(Br)CCC1 CS-0037271 [0,1,0,1,0,0|0,0,0]=2 881 B9R1.186 COC(=O)C1(C)CNC1 CS-0049076 [0,1,0,1,0,0|1,0,0]=3 882 B9R1.186 COC(=O)C1(N)CCC1 CS-0183729 [0,1,0,1,0,0|0,0,0]=2 883 B9R1.186 COC(=O)C1(N)CCC1 CS-W005628 [0,1,0,1,0,0|0,0,0]=2 884 B9R1.1 C#CC1CCC(=O)CC1 CS-0132033 [0,1,0,1,0,0|1,0,1]=4 885 B9R1.1 C=C1CCC(CO)CC1 CS-0034131 [0,1,0,1,0,0|2,0,0]=4 886 B9R1.1 CCC1CCC(=O)CC1 CS-0226152 [0,1,0,1,0,0|1,0,0]=3 887 B9R1.1 CCN1CCC(=O)CC1 CS-0046794 [0,1,0,1,0,0|1,0,0]=3 888 B9R1.1 COC1CCC(=O)CC1 CS-W004809 [0,1,0,1,0,0|1,0,0]=3 889 B9R1.1 COC1CCC(N)CC1 CS-W003887 [0,1,0,1,0,0|1,0,1]=4 890 B9R1.1 COC1CCC(O)CC1 CS-W005092 [0,1,0,1,0,0|1,0,1]=4 891 B9R1.1 CO[C@H]1CC[C@@H](N)CC1 CS-0150980 [0,1,0,1,0,0|1,0,1]=4 892 B9R1.1 CO[C@H]1CC[C@H](N)CC1 CS-0094718 [0,1,0,1,0,0|1,0,1]=4 893 B9R1.1 CO[C@H]1CC[C@H](O)CC1 CS-0187696 [0,1,0,1,0,0|1,0,1]=4 894 B9R1.1 N#CC1CCC(=O)CC1 CS-D0281 [0,1,0,1,0,0|1,0,1]=4 895 B9R1.1 NCC1CNC(=O)CO1 CS-0311050 [0,1,0,1,0,0|2,0,0]=4 896 B9R1.1 O=C1CCC(CO)CC1 CS-W005330 [0,1,0,1,0,0|1,0,0]=3 897 B9R1.1 O=C1COC(CO)CN1 CS-W022434 [0,1,0,1,0,0|2,0,0]=4 898 B9R1.1 O=C1CO[C@@H](CO)CN1 CS-0183833 [0,1,0,1,0,0|2,0,0]=4 899 B9R1.1 O=C1CO[C@H](CO)CN1 CS-0036959 [0,1,0,1,0,0|2,0,0]=4 900 B9R1.79 COC(=O)C=C1COC1 CS-0049198 [0,1,0,1,0,0|0,0,2]=4 901 B9R1.79 COC(=O)CC1COC1 CS-0049199 [0,1,0,1,0,0|0,0,0]=2 902 B9R1.80 COC(=O)\C=C\C1CC1 CS-0380678 [0,1,0,1,0,0|0,0,1]=3 903 B9R1.89 ONC1=NCCCCC1 CS-0449006 [0,1,0,1,0,0|1,0,1]=4 904 B9R1.118 COC1(C)CCNCC1 CS-W022204 [0,1,0,1,0,0|1,0,1]=4 905 B9R1.6 CC(=O)C1=CCCCC1 CS-0155078 [0,1,0,1,0,0|2,0,0]=4 906 B9R1.23 CN1CC(CN)CC1=O CS-0051186 [0,1,0,1,0,0|2,0,0]=4 907 B9R1.23 CN1CC(CO)CC1=O CS-0051148 [0,1,0,1,0,0|2,0,0]=4 908 B9R1.35 CC(C)C1CNC(=O)C1 CS-0046667 [0,1,0,1,0,0|1,0,0]=3 909 B9R1.35 CC(C)C1COC(=O)N1 CS-0076533 [0,1,0,1,0,0|1,0,0]=3 910 B9R1.35 CC(C)[C@@H]1COC(=O)N1 CS-W002320 [0,1,0,1,0,0|1,0,0]=3 911 B9R1.35 CC(C)[C@@H]1COC(=S)N1 CS-0093694 [0,1,0,1,0,0|1,1,0]=4 912 B9R1.35 CC(C)[C@H]1COC(=O)N1 CS-W002062 [0,1,0,1,0,0|1,0,0]=3 913 B9R1.35 CC(C)[C@H]1COC(=S)N1 CS-W016360 [0,1,0,1,0,0|1,1,0]=4 914 B9R1.40 CC1(C)CCCCC1=O CS-W008668 [0,1,0,1,0,0|1,0,0]=3 915 B9R1.40 CC1(C)CCCOC1=O CS-0097007 [0,1,0,1,0,0|2,0,0]=4 916 B9R1.40 CC1(C)CNCCC1=O CS-0019268 [0,1,0,1,0,0|2,0,0]=4 917 B9R1.110 CN(C)C(=O)C1CNC1 CS-0048831 [0,1,0,1,0,0|2,0,0]=4 918 B9R1.10 CC1(C)C=CC(=O)CC1 CS-0128266 [0,1,0,1,0,0|1,0,1]=4 919 B9R1.10 CC1(C)CCC(=O)CC1 CS-W002564 [0,1,0,1,0,0|1,0,0]=3 920 B9R1.10 CC1(O)CCC(=O)CC1 CS-0091842 [0,1,0,1,0,0|1,0,0]=3 921 B9R1.10 O=C1CCC(F)(F)CC1 CS-W007368 [0,1,0,1,0,0|2,0,0]=4 922 B9R1.204 COC1(C#N)CCCC1 CS-0233694 [0,1,0,1,0,0|1,0,1]=4 923 B9R2.39 O=C1CC2CCC1C2 CS-0072123 [0,0,0,2,0,0|1,0,0]=3 924 B9R2.39 O=C1NC2CCC1C2 CS-B1546 [0,0,0,2,0,0|2,0,0]=4 925 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 CS-0131290 [0,0,0,2,0,0|2,0,0]=4 926 B9R2.6 CC12CCCCC1O2 CS-0152704 [0,0,0,2,0,0|1,0,1]=4 927 B9R2.109 O=C1CCCC2CC12 CS-0049777 [0,0,0,2,0,0|1,0,0]=3 928 B9R2.109 O=C1CCCC2OC12 CS-0155446 [0,0,0,2,0,0|2,0,0]=4 929 B9R2.7 O=C1NC2CCCC12 CS-0063926 [0,0,0,2,0,0|1,0,0]=3 930 B9R2.36 O=C1CCC1C2CC2 CS-0670396 [0,0,0,2,0,0|1,0,0]=3