0 B6R0.6 C#CCCCCC 13058 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.6 CCCCCC=O 3077 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.6 CCCCCCBr 3776 [0,0,0,0,0,0|4,0,0]=4 3 B6R0.6 CCCCCCI 3945 [0,0,0,0,0,0|4,0,0]=4 4 B6R0.6 CCCCNCC 10254 [0,0,0,0,0,0|4,0,0]=4 5 B6R0.6 CCCCOCC 12525 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.6 CCCOCCCl 14348 [0,0,0,0,0,0|3,1,0]=4 7 B6R0.6 COCCCCCl 1935 [0,0,0,0,0,0|3,1,0]=4 8 B6R0.6 COCCCCO 1938 [0,0,0,0,0,0|3,1,0]=4 9 B6R0.6 OCCSCCO 35355 [0,0,0,0,0,0|4,0,0]=4 10 B5R0.2 C#CCCCC 13057 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.2 CCCCCI 3960 [1,0,0,0,0,0|3,0,0]=4 12 B5R0.2 CCCNCC 10270 [1,0,0,0,0,0|2,0,0]=3 13 B5R0.2 CCOCCBr 12476 [1,0,0,0,0,0|2,1,0]=4 14 B5R0.2 CCOCCCl 1932 [1,0,0,0,0,0|2,1,0]=4 15 B5R0.2 CNCCCN 26279 [1,0,0,0,0,0|3,0,0]=4 16 B5R0.2 CNCCCO 30456 [1,0,0,0,0,0|2,1,0]=4 17 B5R0.2 CNCCNC 31976 [1,0,0,0,0,0|2,0,0]=3 18 B5R0.2 COCCC#N 24839 [1,0,0,0,0,0|2,1,0]=4 19 B5R0.2 COCCC=O 24309 [1,0,0,0,0,0|2,1,0]=4 20 B5R0.2 COCCCBr 11240 [1,0,0,0,0,0|2,1,0]=4 21 B5R0.2 COCCCCl 18632 [1,0,0,0,0,0|2,1,0]=4 22 B5R0.2 COCCCN 16804 [1,0,0,0,0,0|2,1,0]=4 23 B5R0.2 COCCCO 1936 [1,0,0,0,0,0|1,2,0]=4 24 B5R0.2 COCCOC 18652 [1,0,0,0,0,0|0,2,0]=3 25 B7R0.1 CCCCCCCBr 3775 [0,1,0,0,0,0|3,0,0]=4 26 B7R0.1 CCCCCCCI 3944 [0,1,0,0,0,0|3,0,0]=4 27 B7R0.3 CSCC[C@@H](N)CO 12299 [0,1,0,0,0,0|3,0,0]=4 28 B7R0.3 CSCC[C@H](N)CO 25150 [0,1,0,0,0,0|3,0,0]=4 29 B7R0.4 CCCCCC(C)O 3094 [0,1,0,0,0,0|3,0,0]=4 30 B7R0.4 CCCCC[C@@H](C)O 6739 [0,1,0,0,0,0|3,0,0]=4 31 B7R0.4 CCCCC[C@H](C)O 6736 [0,1,0,0,0,0|3,0,0]=4 32 B7R0.7 CCCC(N)CCC 12594 [0,1,0,0,0,0|3,0,0]=4 33 B7R0.7 COCC(N)COC 23938 [0,1,0,0,0,0|1,2,0]=4 34 B7R1.1 CNC1CCNC1 11207 [0,0,0,1,0,0|3,0,0]=4 35 B7R1.1 CNC1CCOC1 15123 [0,0,0,1,0,0|2,1,0]=4 36 B7R1.1 CNC1CCOC1 24384 [0,0,0,1,0,0|2,1,0]=4 37 B7R1.1 CN[C@@H]1CCNC1 11209 [0,0,0,1,0,0|3,0,0]=4 38 B7R1.1 CN[C@@H]1CCOC1 24382 [0,0,0,1,0,0|2,1,0]=4 39 B7R1.1 CN[C@@H]1CCOC1 24386 [0,0,0,1,0,0|2,1,0]=4 40 B7R1.1 CN[C@H]1CCNC1 11208 [0,0,0,1,0,0|3,0,0]=4 41 B7R1.1 CN[C@H]1CCOC1 24380 [0,0,0,1,0,0|2,1,0]=4 42 B7R1.1 CN[C@H]1CCOC1 24385 [0,0,0,1,0,0|2,1,0]=4 43 B7R1.1 COC1CCNC1 19858 [0,0,0,1,0,0|2,1,0]=4 44 B7R1.1 CO[C@@H]1CCNC1 14802 [0,0,0,1,0,0|2,1,0]=4 45 B7R1.1 CO[C@H]1CCNC1 14801 [0,0,0,1,0,0|2,1,0]=4 46 B7R1.3 CC1CCCNC1 7705 [0,0,0,1,0,0|3,0,0]=4 47 B7R1.3 CN1CCCCC1 7703 [0,0,0,1,0,0|3,0,0]=4 48 B7R1.6 COCC1CNC1 26682 [0,0,0,1,0,0|2,1,0]=4 49 B7R1.24 C1CNCCNC1 8556 [0,0,0,1,0,0|3,0,0]=4 50 B7R1.24 C1CNCCOC1 25220 [0,0,0,1,0,0|2,1,0]=4 51 B4R0.2 CCCCBr 3752 [2,0,0,0,0,0|2,0,0]=4 52 B4R0.2 CCCCI 3939 [2,0,0,0,0,0|2,0,0]=4 53 B4R0.2 CCNCC 14036 [2,0,0,0,0,0|1,0,0]=3 54 B4R0.2 CCNCC 17237 [2,0,0,0,0,0|1,0,0]=3 55 B4R0.2 CCOCCl 18683 [2,0,0,0,0,0|1,1,0]=4 56 B4R0.2 CC[B+]CC 26091 [2,0,0,0,0,0|1,0,0]=3 57 B4R0.2 CNCCCl 35179 [2,0,0,0,0,0|2,0,0]=4 58 B4R0.2 CNCCN 4020 [2,0,0,0,0,0|2,0,0]=4 59 B4R0.2 COCCBr 2138 [2,0,0,0,0,0|1,1,0]=4 60 B4R0.2 COCCCl 1911 [2,0,0,0,0,0|1,1,0]=4 61 B4R0.2 COCCO 35138 [2,0,0,0,0,0|0,2,0]=4 62 B4R0.2 CSCCCl 35891 [2,0,0,0,0,0|1,0,0]=3 63 B4R0.2 CSCCN 19131 [2,0,0,0,0,0|1,0,0]=3 64 B4R0.2 CSCCO 10846 [2,0,0,0,0,0|0,1,0]=3 65 B4R0.2 C\C=C\CC 19602 [2,0,0,0,0,0|1,0,1]=4 66 B6R0.4 C=C(C)CNCC 10272 [1,1,0,0,0,0|2,0,0]=4 67 B6R0.4 CCCC[C@@H](C)N 6753 [1,1,0,0,0,0|2,0,0]=4 68 B6R0.4 CCCC[C@@H](C)O 6730 [1,1,0,0,0,0|2,0,0]=4 69 B6R0.4 CCCC[C@H](C)N 6750 [1,1,0,0,0,0|2,0,0]=4 70 B6R0.4 CCCC[C@H](C)O 6732 [1,1,0,0,0,0|2,0,0]=4 71 B6R0.4 CNCCC(C)C 16229 [1,1,0,0,0,0|2,0,0]=4 72 B8R0.6 CCCSCC(=O)OC 28955 [0,2,0,0,0,0|1,1,0]=4 73 B6R1.1 C1CCNCC1 21964 [1,0,0,1,0,0|2,0,0]=4 74 B6R1.1 C1CCNCC1 7701 [1,0,0,1,0,0|2,0,0]=4 75 B6R1.1 C1CCOCC1 9509 [1,0,0,1,0,0|1,1,0]=4 76 B6R1.1 C1CCSCC1 10562 [1,0,0,1,0,0|1,0,0]=3 77 B6R1.1 C1CNCCN1 19047 [1,0,0,1,0,0|2,0,0]=4 78 B6R1.1 C1CNCCN1 24459 [1,0,0,1,0,0|2,0,0]=4 79 B6R1.1 C1COCCN1 15002 [1,0,0,1,0,0|1,1,0]=4 80 B6R1.1 C1COCCN1 18231 [1,0,0,1,0,0|1,1,0]=4 81 B6R1.1 C1CSCCN1 15746 [1,0,0,1,0,0|1,0,0]=3 82 B6R1.1 C1SCSCS1 36144 [1,0,0,1,0,0|0,0,0]=2 83 B6R1.2 CC1CCCN1 11112 [1,0,0,1,0,0|2,0,0]=4 84 B6R1.2 CC1CCCN1 9410 [1,0,0,1,0,0|2,0,0]=4 85 B6R1.2 CC1CCCO1 10841 [1,0,0,1,0,0|1,1,0]=4 86 B6R1.2 CC1CCCS1 12832 [1,0,0,1,0,0|1,0,0]=3 87 B6R1.2 CC1CCNC1 19859 [1,0,0,1,0,0|2,0,0]=4 88 B6R1.2 CN1CCCC1 11143 [1,0,0,1,0,0|2,0,0]=4 89 B6R1.2 C[C@@H]1CCCN1 11117 [1,0,0,1,0,0|2,0,0]=4 90 B6R1.2 C[C@@H]1CCCN1 15593 [1,0,0,1,0,0|2,0,0]=4 91 B6R1.2 C[C@H]1CCCN1 11115 [1,0,0,1,0,0|2,0,0]=4 92 B6R1.2 C[C@H]1CCCN1 15594 [1,0,0,1,0,0|2,0,0]=4 93 B6R1.2 O=C1CCSC1 5575 [1,0,0,1,0,0|2,0,0]=4 94 B6R1.3 COC[C@@H]1CO1 5856 [1,0,0,1,0,0|0,2,0]=4 95 B6R1.3 COC[C@H]1CO1 5851 [1,0,0,1,0,0|0,2,0]=4