0 B10R0.74 C#CC(=O)CCCCCCC 1458a_100000211873_100000210614 [0,0,0,0,0,0|0,0,4]=4 1 B10R0.74 C#CC(C)NCCCCCC 2230a_100000707721_100000210314 [0,0,0,0,0,0|2,0,2]=4 2 B10R0.74 C#CC(C)NCCCCCC 34a_100000707721_100000210314 [0,0,0,0,0,0|2,0,2]=4 3 B10R0.74 C#CC(C)OCCCCCC 34a_100000210259_200000035995 [0,0,0,0,0,0|2,0,2]=4 4 B10R0.74 C#CC(C)SCCCCCC 62a_200000035995_100000210757 [0,0,0,0,0,0|2,0,2]=4 5 B10R0.74 C#CC(O)CCCCCNC 2230a_106832991635_200010408556 [0,0,0,0,0,0|1,0,2]=3 6 B10R0.74 C#CC(O)CCCCCNC 34a_100102657272_200010408556 [0,0,0,0,0,0|1,0,2]=3 7 B10R0.74 C#CC(O)CCCCCNC 7a_106832991635_200010408556 [0,0,0,0,0,0|1,0,2]=3 8 B10R0.74 C#CC(O)CCCCCOC 34a_100138415774_200010408556 [0,0,0,0,0,0|1,0,2]=3 9 B10R0.74 C#CC(O)CCCCCSC 62a_200000210301_200010408556 [0,0,0,0,0,0|1,0,2]=3 10 B10R0.74 C#CC(O)CCCCCSC 62a_200010408556_200000210301 [0,0,0,0,0,0|1,0,2]=3 11 B10R0.74 C#CC(O)CCCCCS[13CH3] 62a_200010408556_200025704644 [0,0,0,0,0,0|1,0,2]=3 12 B10R0.74 C#CC(O)CCCCCS[13CH3] 62a_200025704644_200010408556 [0,0,0,0,0,0|1,0,2]=3 13 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000210414_100012094781 [0,0,0,0,0,0|0,0,4]=4 14 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000694772_100000210202 [0,0,0,0,0,0|0,0,4]=4 15 B10R0.74 C#CCCCCCN(C)CC 2230a_100000225621_100012094781 [0,0,0,0,0,0|2,0,2]=4 16 B10R0.74 C#CCCCCCN(C)CC 269982a_100000225621_100012094781 [0,0,0,0,0,0|2,0,2]=4 17 B10R0.74 C#CCCCCNC(C)CC 2230a_100000209981_100010269958 [0,0,0,0,0,0|2,0,2]=4 18 B10R0.74 C#CCCCCNC(C)CC 2230a_100000706060_100000758301 [0,0,0,0,0,0|2,0,2]=4 19 B10R0.74 C#CCCCCNC(C)CC 34a_100000706060_100011215416 [0,0,0,0,0,0|2,0,2]=4 20 B10R0.74 C#CCCCCOC(C)CC 34a_100000766709_100011215416 [0,0,0,0,0,0|2,0,2]=4 21 B10R0.74 C#CCCCCOC(C)CC 7a_100000210228_100010269958 [0,0,0,0,0,0|2,0,2]=4 22 B10R0.74 C#CCCCCOC(C)CC 7a_100000766709_100000758301 [0,0,0,0,0,0|2,0,2]=4 23 B10R0.74 C#CCCCCSC(C)CC 62a_100000758301_100010269958 [0,0,0,0,0,0|2,0,2]=4 24 B10R0.74 C#CCCCCSC(C)CC 62a_100010269958_100000758301 [0,0,0,0,0,0|2,0,2]=4 25 B10R0.74 C#CCCCNCC(C)CC 2230a_100020588543_100000731252 [0,0,0,0,0,0|2,0,2]=4 26 B10R0.74 C#CCCCNCC(C)CC 270004a_100000718082_100000243153 [0,0,0,0,0,0|2,0,2]=4 27 B10R0.74 C#CCCCNCC(C)CC 34a_100000718082_100000748023 [0,0,0,0,0,0|2,0,2]=4 28 B10R0.74 C#CCCCNCC(O)CC 2230a_100011218483_100000731252 [0,0,0,0,0,0|1,0,2]=3 29 B10R0.74 C#CCCCNCC(O)CC 34a_100000718082_100011218378 [0,0,0,0,0,0|1,0,2]=3 30 B10R0.74 C#CCCCNCC(O)CO 34a_100000718082_100011219619 [0,0,0,0,0,0|2,0,2]=4 31 B10R0.74 C#CCCCNC[C@@H](C)CC 34a_100000718082_100009816398 [0,0,0,0,0,0|2,0,2]=4 32 B10R0.74 C#CCCCNC[C@@H](O)CF 34a_100000718082_100015614560 [0,0,0,0,0,0|2,0,2]=4 33 B10R0.74 C#CCCCNC[C@@H](O)CO 34a_100000718082_100009815848 [0,0,0,0,0,0|2,0,2]=4 34 B10R0.74 C#CCCCNC[C@H](O)CO 2230a_100020644852_100000731252 [0,0,0,0,0,0|2,0,2]=4 35 B10R0.74 C#CCCCOCC(C)CC 34a_100000215630_100000748023 [0,0,0,0,0,0|2,0,2]=4 36 B10R0.74 C#CCCCOCC(C)CC 7a_100000215630_100000748023 [0,0,0,0,0,0|2,0,2]=4 37 B10R0.74 C#CCCCOCC(O)CC 34a_100000215630_100011218378 [0,0,0,0,0,0|1,0,2]=3 38 B10R0.74 C#CCCCOCC(O)CC 7a_100000215630_100011218378 [0,0,0,0,0,0|1,0,2]=3 39 B10R0.74 C#CCCCOCC(O)CO 34a_100000215630_100011219619 [0,0,0,0,0,0|2,0,2]=4 40 B10R0.74 C#CCCCOCC(O)CO 7a_100000215630_100011219619 [0,0,0,0,0,0|2,0,2]=4 41 B10R0.74 C#CCCCOC[C@@H](C)CC 34a_100000215630_100009816398 [0,0,0,0,0,0|2,0,2]=4 42 B10R0.74 C#CCCCOC[C@@H](C)CC 7a_100000215630_100009816398 [0,0,0,0,0,0|2,0,2]=4 43 B10R0.74 C#CCCCOC[C@@H](C)CC 7a_100009816381_100011215417 [0,0,0,0,0,0|2,0,2]=4 44 B10R0.74 C#CCCCOC[C@@H](O)CF 34a_100000215630_100015614560 [0,0,0,0,0,0|2,0,2]=4 45 B10R0.74 C#CCCCOC[C@@H](O)CF 7a_100000215630_100015614560 [0,0,0,0,0,0|2,0,2]=4 46 B10R0.74 C#CCCCOC[C@@H](O)CO 34a_100000215630_100009815848 [0,0,0,0,0,0|2,0,2]=4 47 B10R0.74 C#CCCCOC[C@@H](O)CO 7a_100000215630_100009815848 [0,0,0,0,0,0|2,0,2]=4 48 B10R0.74 C#CCCCSCC(C)CC 62a_100000748023_100011215417 [0,0,0,0,0,0|2,0,2]=4 49 B10R0.74 C#CCCCSCC(C)CC 62a_100011215417_100000748023 [0,0,0,0,0,0|2,0,2]=4 50 B10R0.74 C#CCCCSCC(O)CC 62a_100011215417_100011218378 [0,0,0,0,0,0|1,0,2]=3 51 B10R0.74 C#CCCCSCC(O)CC 62a_100011218378_100011215417 [0,0,0,0,0,0|1,0,2]=3 52 B10R0.74 C#CCCCSCC(O)CO 62a_100011215417_100011219619 [0,0,0,0,0,0|2,0,2]=4 53 B10R0.74 C#CCCCSCC(O)CO 62a_100011219619_100011215417 [0,0,0,0,0,0|2,0,2]=4 54 B10R0.74 C#CCCCSC[C@@H](C)CC 62a_100009816398_100011215417 [0,0,0,0,0,0|2,0,2]=4 55 B10R0.74 C#CCCCSC[C@@H](C)CC 62a_100011215417_100009816398 [0,0,0,0,0,0|2,0,2]=4 56 B10R0.74 C#CCCCSC[C@@H](O)CF 62a_100011215417_100015614560 [0,0,0,0,0,0|2,0,2]=4 57 B10R0.74 C#CCCCSC[C@@H](O)CF 62a_100015614560_100011215417 [0,0,0,0,0,0|2,0,2]=4 58 B10R0.74 C#CCCCSC[C@@H](O)CO 62a_100009815848_100011215417 [0,0,0,0,0,0|2,0,2]=4 59 B10R0.74 C#CCCCSC[C@@H](O)CO 62a_100011215417_100009815848 [0,0,0,0,0,0|2,0,2]=4 60 B10R0.74 C#CCCNCCC(C)CC 2230a_100020591266_100000688953 [0,0,0,0,0,0|2,0,2]=4 61 B10R0.74 C#CCCOCCC(C)CC 7a_100011215188_100000688953 [0,0,0,0,0,0|2,0,2]=4 62 B10R0.74 C#CCOCCCC(C)CC 7a_100011216074_100000038162 [0,0,0,0,0,0|2,0,2]=4 63 B10R0.74 C#C[C@@H](C)OCCCCCC 34a_100009815206_100000210314 [0,0,0,0,0,0|2,0,2]=4 64 B10R0.74 C#C[C@@H](C)OCCCCCC 7a_100009815206_100000210314 [0,0,0,0,0,0|2,0,2]=4 65 B10R0.74 C/C=C/CCOCC(C)CC 34a_100016278192_100000748023 [0,0,0,0,0,0|2,0,2]=4 66 B10R0.74 C/C=C/CCOCC(O)CC 34a_100016278192_100011218378 [0,0,0,0,0,0|1,0,2]=3 67 B10R0.74 C/C=C/CCOCC(O)CO 34a_100016278192_100011219619 [0,0,0,0,0,0|2,0,2]=4 68 B10R0.74 C/C=C/CCOC[C@@H](C)CC 34a_100016278192_100009816398 [0,0,0,0,0,0|2,0,2]=4 69 B10R0.74 C/C=C/CCOC[C@@H](O)CF 34a_100016278192_100015614560 [0,0,0,0,0,0|2,0,2]=4 70 B10R0.74 C/C=C/CCOC[C@@H](O)CO 34a_100016278192_100009815848 [0,0,0,0,0,0|2,0,2]=4 71 B10R0.74 C/C=C/COCCC(C)CC 7a_100011215188_100102629194 [0,0,0,0,0,0|2,0,2]=4 72 B10R0.74 C=CC(=O)CCCCCCC 1458a_100000185746_100000210614 [0,0,0,0,0,0|0,0,4]=4 73 B10R0.74 C=CC(C)COCCCCC 34a_100011215527_100000718602 [0,0,0,0,0,0|2,0,2]=4 74 B10R0.74 C=CC(C)COCCCCC 7a_100011215527_100000210326 [0,0,0,0,0,0|2,0,2]=4 75 B10R0.74 C=CC(C)OCCCCCC 34a_100000695699_100000210314 [0,0,0,0,0,0|2,0,2]=4 76 B10R0.74 C=CC(C)SCCCCCC 62a_100011215867_100000210757 [0,0,0,0,0,0|2,0,2]=4 77 B10R0.74 C=CC(O)CNCCCCC 2230a_100000209983_100000730141 [0,0,0,0,0,0|1,0,2]=3 78 B10R0.74 C=CC(O)CNCCCCO 2230a_100000750430_100000730141 [0,0,0,0,0,0|2,0,2]=4 79 B10R0.74 C=CC(O)CNCCCCO 34a_100000750430_100000730141 [0,0,0,0,0,0|2,0,2]=4 80 B10R0.74 C=CC(O)CNCCCOC 34a_100150723488_100000730141 [0,0,0,0,0,0|2,0,2]=4 81 B10R0.74 C=CC(O)CNCCCSC 2230a_100000749238_100000730141 [0,0,0,0,0,0|2,0,2]=4 82 B10R0.74 C=CC(O)CNCCOCC 2230a_102516460346_100000730141 [0,0,0,0,0,0|2,0,2]=4 83 B10R0.74 C=CC(O)CNCCOCC 34a_102516460346_100000730141 [0,0,0,0,0,0|2,0,2]=4 84 B10R0.74 C=CC(O)CNCCSCC 2230a_100000106463_100000730141 [0,0,0,0,0,0|2,0,2]=4 85 B10R0.74 C=CC(O)COCCCCBr 34a_100011216708_100000730141 [0,0,0,0,0,0|2,0,2]=4 86 B10R0.74 C=CC(O)COCCCCC 34a_100000210253_100000730141 [0,0,0,0,0,0|1,0,2]=3 87 B10R0.74 C=CC(O)COCCCCC 7a_100000210253_100000730141 [0,0,0,0,0,0|1,0,2]=3 88 B10R0.74 C=CC(O)COCCCCCl 34a_100000210776_100000730141 [0,0,0,0,0,0|2,0,2]=4 89 B10R0.74 C=CC(O)COCCCCCl 7a_100000210776_100000730141 [0,0,0,0,0,0|2,0,2]=4 90 B10R0.74 C=CC(O)COCCCCF 34a_100011995726_100000730141 [0,0,0,0,0,0|2,0,2]=4 91 B10R0.74 C=CC(O)COCCCCF 7a_100011995726_100000730141 [0,0,0,0,0,0|2,0,2]=4 92 B10R0.74 C=CC(O)COCCCCI 34a_200012148704_100000730141 [0,0,0,0,0,0|2,0,2]=4 93 B10R0.74 C=CC(O)COCCCCN 34a_100000750430_100000730141 [0,0,0,0,0,0|2,0,2]=4 94 B10R0.74 C=CC(O)COCCCNC 34a_100000213112_100000730141 [0,0,0,0,0,0|2,0,2]=4 95 B10R0.74 C=CC(O)COCCCOC 34a_100000740835_100000730141 [0,0,0,0,0,0|2,0,2]=4 96 B10R0.74 C=CC(O)COCCCSC 34a_100000690336_100000730141 [0,0,0,0,0,0|2,0,2]=4 97 B10R0.74 C=CC(O)COCCCSC 7a_100000690336_100000730141 [0,0,0,0,0,0|2,0,2]=4 98 B10R0.74 C=CC(O)COCCOCC 34a_100000210136_100000730141 [0,0,0,0,0,0|2,0,2]=4 99 B10R0.74 C=CC(O)COCCOCC 7a_100000210136_100000730141 [0,0,0,0,0,0|2,0,2]=4 100 B10R0.74 C=CC(O)COCCSCC 34a_100000212035_100000730141 [0,0,0,0,0,0|2,0,2]=4 101 B10R0.74 C=CC(O)COCCSCC 7a_100000212035_100000730141 [0,0,0,0,0,0|2,0,2]=4 102 B10R0.74 C=CC(O)CSCCCCC 62a_100000210326_100000730141 [0,0,0,0,0,0|1,0,2]=3 103 B10R0.74 C=CC(O)CSCCCCC 62a_100000730141_100000210326 [0,0,0,0,0,0|1,0,2]=3 104 B10R0.74 C=CC(O)CSCCCCF 62a_100000729493_100000730141 [0,0,0,0,0,0|2,0,2]=4 105 B10R0.74 C=CC(O)CSCCCCF 62a_100000730141_100000729493 [0,0,0,0,0,0|2,0,2]=4 106 B10R0.74 C=CC(O)CSCCCCO 62a_100000210776_100000730141 [0,0,0,0,0,0|2,0,2]=4 107 B10R0.74 C=CC(O)CSCCCCO 62a_100000730141_100000210776 [0,0,0,0,0,0|2,0,2]=4 108 B10R0.74 C=CC(O)CSCCCOC 62a_100000709357_100000730141 [0,0,0,0,0,0|2,0,2]=4 109 B10R0.74 C=CC(O)CSCCCOC 62a_100000730141_100000709357 [0,0,0,0,0,0|2,0,2]=4 110 B10R0.74 C=CC(O)CSCCOCC 62a_100000210147_100000730141 [0,0,0,0,0,0|2,0,2]=4 111 B10R0.74 C=CC(O)CSCCOCC 62a_100000730141_100011215890 [0,0,0,0,0,0|2,0,2]=4 112 B10R0.74 C=CC(O)CSCCSCC 62a_100000730141_100000757381 [0,0,0,0,0,0|2,0,2]=4 113 B10R0.74 C=CC(O)CSCCSCC 62a_100000757381_100000730141 [0,0,0,0,0,0|2,0,2]=4 114 B10R0.74 C=CCCCCCC(=O)CC 1458a_100000210414_100000700193 [0,0,0,0,0,0|0,0,4]=4 115 B10R0.74 C=CCCCCCC(=O)CC 1458a_100011934241_100000210202 [0,0,0,0,0,0|0,0,4]=4 116 B10R0.74 C=CCCCCCN(C)CC 2230a_100000225621_100000700193 [0,0,0,0,0,0|2,0,2]=4 117 B10R0.74 C=CCCCCCN(C)CC 269982a_100000225621_100000700193 [0,0,0,0,0,0|2,0,2]=4 118 B10R0.74 C=CCCCCNC(C)CC 2230a_100000209981_100011215482 [0,0,0,0,0,0|2,0,2]=4 119 B10R0.74 C=CCCCCNC(C)CC 2230a_100000703577_100000758301 [0,0,0,0,0,0|2,0,2]=4 120 B10R0.74 C=CCCCCNC(C)CC 34a_100000703577_100011215416 [0,0,0,0,0,0|2,0,2]=4 121 B10R0.74 C=CCCCCOC(C)CC 34a_100000766645_100011215416 [0,0,0,0,0,0|2,0,2]=4 122 B10R0.74 C=CCCCCOC(C)CC 7a_100000210228_100011215482 [0,0,0,0,0,0|2,0,2]=4 123 B10R0.74 C=CCCCCOC(C)CC 7a_100000766645_100000758301 [0,0,0,0,0,0|2,0,2]=4 124 B10R0.74 C=CCCCCSC(C)CC 62a_100000758301_100011215482 [0,0,0,0,0,0|2,0,2]=4 125 B10R0.74 C=CCCCCSC(C)CC 62a_100011215482_100000758301 [0,0,0,0,0,0|2,0,2]=4 126 B10R0.74 C=CCCCNCC(C)CC 2230a_100000700776_100000748023 [0,0,0,0,0,0|2,0,2]=4 127 B10R0.74 C=CCCCNCC(C)CC 2230a_100020588543_100011713584 [0,0,0,0,0,0|2,0,2]=4 128 B10R0.74 C=CCCCNCC(C)CC 270004a_100000700776_100000243153 [0,0,0,0,0,0|2,0,2]=4 129 B10R0.74 C=CCCCNCC(C)CC 34a_100000700776_100000748023 [0,0,0,0,0,0|2,0,2]=4 130 B10R0.74 C=CCCCNCC(O)CC 2230a_100000700776_100011218378 [0,0,0,0,0,0|1,0,2]=3 131 B10R0.74 C=CCCCNCC(O)CC 2230a_100011218483_100011713584 [0,0,0,0,0,0|1,0,2]=3 132 B10R0.74 C=CCCCNCC(O)CC 34a_100000700776_100011218378 [0,0,0,0,0,0|1,0,2]=3 133 B10R0.74 C=CCCCNCC(O)CO 2230a_100000700776_100011219619 [0,0,0,0,0,0|2,0,2]=4 134 B10R0.74 C=CCCCNCC(O)CO 34a_100000700776_100011219619 [0,0,0,0,0,0|2,0,2]=4 135 B10R0.74 C=CCCCNC[C@@H](C)CC 2230a_100000700776_100009816398 [0,0,0,0,0,0|2,0,2]=4 136 B10R0.74 C=CCCCNC[C@@H](C)CC 34a_100000700776_100009816398 [0,0,0,0,0,0|2,0,2]=4 137 B10R0.74 C=CCCCNC[C@@H](O)CF 2230a_100000700776_100015614560 [0,0,0,0,0,0|2,0,2]=4 138 B10R0.74 C=CCCCNC[C@@H](O)CF 34a_100000700776_100015614560 [0,0,0,0,0,0|2,0,2]=4 139 B10R0.74 C=CCCCNC[C@@H](O)CO 2230a_100000700776_100009815848 [0,0,0,0,0,0|2,0,2]=4 140 B10R0.74 C=CCCCNC[C@@H](O)CO 34a_100000700776_100009815848 [0,0,0,0,0,0|2,0,2]=4 141 B10R0.74 C=CCCCNC[C@H](O)CO 2230a_100020644852_100011713584 [0,0,0,0,0,0|2,0,2]=4 142 B10R0.74 C=CCCCOCC(C)CC 34a_100000758997_100000748023 [0,0,0,0,0,0|2,0,2]=4 143 B10R0.74 C=CCCCOCC(C)CC 7a_100000758997_100000748023 [0,0,0,0,0,0|2,0,2]=4 144 B10R0.74 C=CCCCOCC(O)CC 34a_100000758997_100011218378 [0,0,0,0,0,0|1,0,2]=3 145 B10R0.74 C=CCCCOCC(O)CC 7a_100000758997_100011218378 [0,0,0,0,0,0|1,0,2]=3 146 B10R0.74 C=CCCCOCC(O)CO 34a_100000758997_100011219619 [0,0,0,0,0,0|2,0,2]=4 147 B10R0.74 C=CCCCOCC(O)CO 7a_100000758997_100011219619 [0,0,0,0,0,0|2,0,2]=4 148 B10R0.74 C=CCCCOC[C@@H](C)CC 34a_100000758997_100009816398 [0,0,0,0,0,0|2,0,2]=4 149 B10R0.74 C=CCCCOC[C@@H](C)CC 7a_100000758997_100009816398 [0,0,0,0,0,0|2,0,2]=4 150 B10R0.74 C=CCCCOC[C@@H](C)CC 7a_100009816381_100000757094 [0,0,0,0,0,0|2,0,2]=4 151 B10R0.74 C=CCCCOC[C@@H](O)CF 34a_100000758997_100015614560 [0,0,0,0,0,0|2,0,2]=4 152 B10R0.74 C=CCCCOC[C@@H](O)CF 7a_100000758997_100015614560 [0,0,0,0,0,0|2,0,2]=4 153 B10R0.74 C=CCCCOC[C@@H](O)CO 34a_100000758997_100009815848 [0,0,0,0,0,0|2,0,2]=4 154 B10R0.74 C=CCCCOC[C@@H](O)CO 7a_100000758997_100009815848 [0,0,0,0,0,0|2,0,2]=4 155 B10R0.74 C=CCCCSCC(C)CC 62a_100000748023_100000757094 [0,0,0,0,0,0|2,0,2]=4 156 B10R0.74 C=CCCCSCC(C)CC 62a_100011713584_100000748023 [0,0,0,0,0,0|2,0,2]=4 157 B10R0.74 C=CCCCSCC(O)CC 62a_100011218378_100000757094 [0,0,0,0,0,0|1,0,2]=3 158 B10R0.74 C=CCCCSCC(O)CC 62a_100011713584_100011218378 [0,0,0,0,0,0|1,0,2]=3 159 B10R0.74 C=CCCCSCC(O)CO 62a_100011219619_100000757094 [0,0,0,0,0,0|2,0,2]=4 160 B10R0.74 C=CCCCSCC(O)CO 62a_100011713584_100011219619 [0,0,0,0,0,0|2,0,2]=4 161 B10R0.74 C=CCCCSC[C@@H](C)CC 62a_100009816398_100000757094 [0,0,0,0,0,0|2,0,2]=4 162 B10R0.74 C=CCCCSC[C@@H](C)CC 62a_100011713584_100009816398 [0,0,0,0,0,0|2,0,2]=4 163 B10R0.74 C=CCCCSC[C@@H](O)CF 62a_100011713584_100015614560 [0,0,0,0,0,0|2,0,2]=4 164 B10R0.74 C=CCCCSC[C@@H](O)CF 62a_100015614560_100000757094 [0,0,0,0,0,0|2,0,2]=4 165 B10R0.74 C=CCCCSC[C@@H](O)CO 62a_100009815848_100000757094 [0,0,0,0,0,0|2,0,2]=4 166 B10R0.74 C=CCCCSC[C@@H](O)CO 62a_100011713584_100009815848 [0,0,0,0,0,0|2,0,2]=4 167 B10R0.74 C=CCCNCCC(C)CC 2230a_100020591266_100000754431 [0,0,0,0,0,0|2,0,2]=4 168 B10R0.74 C=CCCOCCC(C)CC 7a_100011215188_100000754431 [0,0,0,0,0,0|2,0,2]=4 169 B10R0.74 C=CCOCCCC(C)CC 7a_100011216074_100015514636 [0,0,0,0,0,0|2,0,2]=4 170 B10R0.74 C=COCCNCC(O)CC 2230a_100011218483_100000039644 [0,0,0,0,0,0|2,0,2]=4 171 B10R0.74 C=COCCOCC(O)CC 34a_100000033082_100011218378 [0,0,0,0,0,0|2,0,2]=4 172 B10R0.74 C=COCCSCC(O)CC 62a_100000039644_100011218378 [0,0,0,0,0,0|2,0,2]=4 173 B10R0.74 C=COCCSCC(O)CC 62a_100011218378_100000039644 [0,0,0,0,0,0|2,0,2]=4 174 B10R0.74 C=C[C@H](N)COCCCCC 34a_100016989147_100000718602 [0,0,0,0,0,0|2,0,2]=4 175 B10R0.74 CC#CCCOCC(C)CC 34a_100000750427_100000748023 [0,0,0,0,0,0|2,0,2]=4 176 B10R0.74 CC#CCCOCC(O)CC 34a_100000750427_100011218378 [0,0,0,0,0,0|1,0,2]=3 177 B10R0.74 CC#CCCOCC(O)CO 34a_100000750427_100011219619 [0,0,0,0,0,0|2,0,2]=4 178 B10R0.74 CC#CCCOC[C@@H](C)CC 34a_100000750427_100009816398 [0,0,0,0,0,0|2,0,2]=4 179 B10R0.74 CC#CCCOC[C@@H](O)CF 34a_100000750427_100015614560 [0,0,0,0,0,0|2,0,2]=4 180 B10R0.74 CC#CCCOC[C@@H](O)CO 34a_100000750427_100009815848 [0,0,0,0,0,0|2,0,2]=4 181 B10R0.74 CC#CCNCCC(C)CC 2230a_100020591266_100000748600 [0,0,0,0,0,0|2,0,2]=4 182 B10R0.74 CC#CCOCCC(C)CC 7a_100011215188_100000748600 [0,0,0,0,0,0|2,0,2]=4 183 B10R0.74 CC(CF)OCCCCCF 34a_100016041109_100000729378 [0,0,0,0,0,0|4,0,0]=4 184 B10R0.74 CC(CF)OCCCCCF 7a_100016041109_100000729378 [0,0,0,0,0,0|4,0,0]=4 185 B10R0.74 CC(CF)OCCCCCO 34a_100016041109_100000746330 [0,0,0,0,0,0|4,0,0]=4 186 B10R0.74 CC(CF)OCCCCCO 7a_100016041109_100000746330 [0,0,0,0,0,0|4,0,0]=4 187 B10R0.74 CC(CN)COCCCCF 34a_100000744482_100000729493 [0,0,0,0,0,0|4,0,0]=4 188 B10R0.74 CC(CN)COCCCCO 34a_100000744482_100011216708 [0,0,0,0,0,0|4,0,0]=4 189 B10R0.74 CC(CN)OCCCCCF 34a_100000210904_100000729378 [0,0,0,0,0,0|4,0,0]=4 190 B10R0.74 CC(CN)OCCCCCO 34a_100000210904_100000746330 [0,0,0,0,0,0|4,0,0]=4 191 B10R0.74 CC(CO)CCNCCCF 2230a_106354213184_100011934791 [0,0,0,0,0,0|4,0,0]=4 192 B10R0.74 CC(CO)CCNCCCF 34a_106354213184_100011934791 [0,0,0,0,0,0|4,0,0]=4 193 B10R0.74 CC(CO)CCNCCCO 2230a_106354213184_100000230001 [0,0,0,0,0,0|4,0,0]=4 194 B10R0.74 CC(CO)CCNCCCO 34a_106354213184_100000230001 [0,0,0,0,0,0|4,0,0]=4 195 B10R0.74 CC(CO)CNCCCCF 34a_100000744482_100000729493 [0,0,0,0,0,0|4,0,0]=4 196 B10R0.74 CC(CO)CNCCCCO 34a_100000744482_100011216708 [0,0,0,0,0,0|4,0,0]=4 197 B10R0.74 CC(CO)NCCCCCO 2230a_100000762737_100012180447 [0,0,0,0,0,0|4,0,0]=4 198 B10R0.74 CC(CO)NCCCCCO 34a_100000762737_100012180447 [0,0,0,0,0,0|4,0,0]=4 199 B10R0.74 CC(CO)OCCCCCBr 34a_100000746331_100012180447 [0,0,0,0,0,0|4,0,0]=4 200 B10R0.74 CC(CO)OCCCCCBr 7a_100000746331_100012180447 [0,0,0,0,0,0|4,0,0]=4 201 B10R0.74 CC(CO)OCCCCCCl 34a_100000746330_100012180447 [0,0,0,0,0,0|4,0,0]=4 202 B10R0.74 CC(CO)OCCCCCCl 7a_100000746330_100012180447 [0,0,0,0,0,0|4,0,0]=4 203 B10R0.74 CC(CO)OCCCCCI 34a_200012148887_100012180447 [0,0,0,0,0,0|4,0,0]=4 204 B10R0.74 CC(CO)OCCCCCI 7a_200012148887_100012180447 [0,0,0,0,0,0|4,0,0]=4 205 B10R0.74 CC(CO)OCCCCCN 34a_100000762737_100012180447 [0,0,0,0,0,0|4,0,0]=4 206 B10R0.74 CC(CO)SCCCCCF 62a_100012180447_100000729378 [0,0,0,0,0,0|4,0,0]=4 207 B10R0.74 CC(CO)SCCCCCO 62a_100012180447_100000746330 [0,0,0,0,0,0|4,0,0]=4 208 B10R0.74 CC/C=C\CCNC(C)CC 2230a_100000209981_100015370543 [0,0,0,0,0,0|2,0,2]=4 209 B10R0.74 CC/C=C\CCOC(C)CC 34a_100016288707_100011215416 [0,0,0,0,0,0|2,0,2]=4 210 B10R0.74 CC/C=C\CCOC(C)CC 7a_100000210228_100015370543 [0,0,0,0,0,0|2,0,2]=4 211 B10R0.74 CC/C=C\CCOC(C)CC 7a_100016288707_100000758301 [0,0,0,0,0,0|2,0,2]=4 212 B10R0.74 CC/C=C\CCSC(C)CC 62a_100000758301_100015370543 [0,0,0,0,0,0|2,0,2]=4 213 B10R0.74 CC/C=C\CCSC(C)CC 62a_100015370543_100000758301 [0,0,0,0,0,0|2,0,2]=4 214 B10R0.74 CC/C=C\CNCC(C)CC 2230a_100020588543_100103147603 [0,0,0,0,0,0|2,0,2]=4 215 B10R0.74 CC/C=C\CNCC(O)CC 2230a_100011218483_100103147603 [0,0,0,0,0,0|1,0,2]=3 216 B10R0.74 CC/C=C\CNC[C@H](O)CO 2230a_100020644852_100103147603 [0,0,0,0,0,0|2,0,2]=4 217 B10R0.74 CC/C=C\COCC(C)CC 34a_100016268518_100000748023 [0,0,0,0,0,0|2,0,2]=4 218 B10R0.74 CC/C=C\COCC(O)CC 34a_100016268518_100011218378 [0,0,0,0,0,0|1,0,2]=3 219 B10R0.74 CC/C=C\COCC(O)CO 34a_100016268518_100011219619 [0,0,0,0,0,0|2,0,2]=4 220 B10R0.74 CC/C=C\COC[C@@H](C)CC 34a_100016268518_100009816398 [0,0,0,0,0,0|2,0,2]=4 221 B10R0.74 CC/C=C\COC[C@@H](C)CC 7a_100009816381_100103147603 [0,0,0,0,0,0|2,0,2]=4 222 B10R0.74 CC/C=C\COC[C@@H](O)CF 34a_100016268518_100015614560 [0,0,0,0,0,0|2,0,2]=4 223 B10R0.74 CC/C=C\COC[C@@H](O)CO 34a_100016268518_100009815848 [0,0,0,0,0,0|2,0,2]=4 224 B10R0.74 CC/C=C\CSCC(C)CC 62a_100000748023_100103147603 [0,0,0,0,0,0|2,0,2]=4 225 B10R0.74 CC/C=C\CSCC(C)CC 62a_100103147603_100000748023 [0,0,0,0,0,0|2,0,2]=4 226 B10R0.74 CC/C=C\CSCC(O)CC 62a_100011218378_100103147603 [0,0,0,0,0,0|1,0,2]=3 227 B10R0.74 CC/C=C\CSCC(O)CC 62a_100103147603_100011218378 [0,0,0,0,0,0|1,0,2]=3 228 B10R0.74 CC/C=C\CSCC(O)CO 62a_100011219619_100103147603 [0,0,0,0,0,0|2,0,2]=4 229 B10R0.74 CC/C=C\CSCC(O)CO 62a_100103147603_100011219619 [0,0,0,0,0,0|2,0,2]=4 230 B10R0.74 CC/C=C\CSC[C@@H](C)CC 62a_100009816398_100103147603 [0,0,0,0,0,0|2,0,2]=4 231 B10R0.74 CC/C=C\CSC[C@@H](C)CC 62a_100103147603_100009816398 [0,0,0,0,0,0|2,0,2]=4 232 B10R0.74 CC/C=C\CSC[C@@H](O)CF 62a_100015614560_100103147603 [0,0,0,0,0,0|2,0,2]=4 233 B10R0.74 CC/C=C\CSC[C@@H](O)CF 62a_100103147603_100015614560 [0,0,0,0,0,0|2,0,2]=4 234 B10R0.74 CC/C=C\CSC[C@@H](O)CO 62a_100009815848_100103147603 [0,0,0,0,0,0|2,0,2]=4 235 B10R0.74 CC/C=C\CSC[C@@H](O)CO 62a_100103147603_100009815848 [0,0,0,0,0,0|2,0,2]=4 236 B10R0.74 CC=CCCCOC(C)CC 34a_100020645299_100011215416 [0,0,0,0,0,0|2,0,2]=4 237 B10R0.74 CC=CCNCCC(C)CC 2230a_100020591266_100000070051 [0,0,0,0,0,0|2,0,2]=4 238 B10R0.74 CC=CCOCCC(C)CC 7a_100011215188_100000070051 [0,0,0,0,0,0|2,0,2]=4 239 B10R0.74 CCC#CCCOC(C)CC 34a_100000036655_100011215416 [0,0,0,0,0,0|2,0,2]=4 240 B10R0.74 CCC#CCCOC(C)CC 7a_100000036655_100000758301 [0,0,0,0,0,0|2,0,2]=4 241 B10R0.74 CCC#CCNCC(C)CC 2230a_100020588543_100009813939 [0,0,0,0,0,0|2,0,2]=4 242 B10R0.74 CCC#CCNCC(O)CC 2230a_100011218483_100009813939 [0,0,0,0,0,0|1,0,2]=3 243 B10R0.74 CCC#CCNC[C@H](O)CO 2230a_100020644852_100009813939 [0,0,0,0,0,0|2,0,2]=4 244 B10R0.74 CCC#CCOCC(C)CC 34a_100000032950_100000748023 [0,0,0,0,0,0|2,0,2]=4 245 B10R0.74 CCC#CCOCC(O)CC 34a_100000032950_100011218378 [0,0,0,0,0,0|1,0,2]=3 246 B10R0.74 CCC#CCOCC(O)CO 34a_100000032950_100011219619 [0,0,0,0,0,0|2,0,2]=4 247 B10R0.74 CCC#CCOC[C@@H](C)CC 34a_100000032950_100009816398 [0,0,0,0,0,0|2,0,2]=4 248 B10R0.74 CCC#CCOC[C@@H](C)CC 7a_100009816381_100009813939 [0,0,0,0,0,0|2,0,2]=4 249 B10R0.74 CCC#CCOC[C@@H](O)CF 34a_100000032950_100015614560 [0,0,0,0,0,0|2,0,2]=4 250 B10R0.74 CCC#CCOC[C@@H](O)CO 34a_100000032950_100009815848 [0,0,0,0,0,0|2,0,2]=4 251 B10R0.74 CCC#CCSCC(C)CC 62a_100000748023_100009813939 [0,0,0,0,0,0|2,0,2]=4 252 B10R0.74 CCC#CCSCC(C)CC 62a_100009813939_100000748023 [0,0,0,0,0,0|2,0,2]=4 253 B10R0.74 CCC#CCSCC(O)CC 62a_100009813939_100011218378 [0,0,0,0,0,0|1,0,2]=3 254 B10R0.74 CCC#CCSCC(O)CC 62a_100011218378_100009813939 [0,0,0,0,0,0|1,0,2]=3 255 B10R0.74 CCC#CCSCC(O)CO 62a_100009813939_100011219619 [0,0,0,0,0,0|2,0,2]=4 256 B10R0.74 CCC#CCSCC(O)CO 62a_100011219619_100009813939 [0,0,0,0,0,0|2,0,2]=4 257 B10R0.74 CCC#CCSC[C@@H](C)CC 62a_100009813939_100009816398 [0,0,0,0,0,0|2,0,2]=4 258 B10R0.74 CCC#CCSC[C@@H](C)CC 62a_100009816398_100009813939 [0,0,0,0,0,0|2,0,2]=4 259 B10R0.74 CCC#CCSC[C@@H](O)CF 62a_100009813939_100015614560 [0,0,0,0,0,0|2,0,2]=4 260 B10R0.74 CCC#CCSC[C@@H](O)CF 62a_100015614560_100009813939 [0,0,0,0,0,0|2,0,2]=4 261 B10R0.74 CCC#CCSC[C@@H](O)CO 62a_100009813939_100009815848 [0,0,0,0,0,0|2,0,2]=4 262 B10R0.74 CCC#CCSC[C@@H](O)CO 62a_100009815848_100009813939 [0,0,0,0,0,0|2,0,2]=4 263 B10R0.74 CCC(=O)CCCCCC#N 1458a_100000210414_100009813376 [0,0,0,0,0,0|1,0,3]=4 264 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [0,0,0,0,0,0|1,0,2]=3 265 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [0,0,0,0,0,0|1,0,2]=3 266 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [0,0,0,0,0,0|1,0,2]=3 267 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [0,0,0,0,0,0|1,0,2]=3 268 B10R0.74 CCC(=O)CCOCCOC 1458a_100000210414_100000695917 [0,0,0,0,0,0|2,0,2]=4 269 B10R0.74 CCC(=O)CCOCCOC 1458a_100000745395_100000210202 [0,0,0,0,0,0|2,0,2]=4 270 B10R0.74 CCC(=O)COCCCCCl 7a_100000210776_100000747405 [0,0,0,0,0,0|2,0,2]=4 271 B10R0.74 CCC(=O)COCCCCF 34a_100000725409_100000729493 [0,0,0,0,0,0|2,0,2]=4 272 B10R0.74 CCC(=O)COCCCCF 7a_100011995726_100000747405 [0,0,0,0,0,0|2,0,2]=4 273 B10R0.74 CCC(=O)COCCCCO 34a_100000725409_100011216708 [0,0,0,0,0,0|2,0,2]=4 274 B10R0.74 CCC(=O)COCCCOC 34a_100000725409_100000740836 [0,0,0,0,0,0|2,0,2]=4 275 B10R0.74 CCC(=O)COCCCSC 7a_100000690336_100000747405 [0,0,0,0,0,0|2,0,2]=4 276 B10R0.74 CCC(=O)CSCCCCF 62a_100000729493_100000747405 [0,0,0,0,0,0|2,0,2]=4 277 B10R0.74 CCC(=O)CSCCCCF 62a_100000747405_100000729493 [0,0,0,0,0,0|2,0,2]=4 278 B10R0.74 CCC(=O)CSCCCCO 62a_100000210776_100000747405 [0,0,0,0,0,0|2,0,2]=4 279 B10R0.74 CCC(=O)CSCCCCO 62a_100000747405_100000210776 [0,0,0,0,0,0|2,0,2]=4 280 B10R0.74 CCC(=O)CSCCCOC 62a_100000709357_100000747405 [0,0,0,0,0,0|2,0,2]=4 281 B10R0.74 CCC(=O)CSCCCOC 62a_100000747405_100000709357 [0,0,0,0,0,0|2,0,2]=4 282 B10R0.74 CCC(=O)NCCCCCO 240690a_100000762737_100000210414 [0,0,0,0,0,0|2,0,2]=4 283 B10R0.74 CCC(C)CCCCCOC 7a_200000035636_200000210301 [0,0,0,0,0,0|2,0,0]=2 284 B10R0.74 CCC(C)CCCCCO[13CH3] 7a_200000035636_200025704644 [0,0,0,0,0,0|2,0,0]=2 285 B10R0.74 CCC(C)CCCOCC#N 7a_100011216074_100011215382 [0,0,0,0,0,0|3,0,1]=4 286 B10R0.74 CCC(C)CCCOCC=O 7a_100011216074_200015260668 [0,0,0,0,0,0|3,0,1]=4 287 B10R0.74 CCC(C)CCCOCCF 7a_100011216074_100011217306 [0,0,0,0,0,0|3,0,0]=3 288 B10R0.74 CCC(C)CCCOCCO 7a_100011216074_100000211926 [0,0,0,0,0,0|3,0,0]=3 289 B10R0.74 CCC(C)CCNCCC#N 2230a_100020591266_100011215226 [0,0,0,0,0,0|3,0,1]=4 290 B10R0.74 CCC(C)CCNCCCF 2230a_100020591266_100011934791 [0,0,0,0,0,0|3,0,0]=3 291 B10R0.74 CCC(C)CCNCCCO 2230a_100020591266_100000230001 [0,0,0,0,0,0|3,0,0]=3 292 B10R0.74 CCC(C)CCNCCOC 2230a_100020591266_100011201679 [0,0,0,0,0,0|3,0,0]=3 293 B10R0.74 CCC(C)CCNCCSC 2230a_100020591266_100000751147 [0,0,0,0,0,0|3,0,0]=3 294 B10R0.74 CCC(C)CCOCCC#N 7a_100011215188_100000184422 [0,0,0,0,0,0|3,0,1]=4 295 B10R0.74 CCC(C)CCOCCCF 7a_100011215188_100011934791 [0,0,0,0,0,0|3,0,0]=3 296 B10R0.74 CCC(C)CCOCCCO 7a_100011215188_100011215043 [0,0,0,0,0,0|3,0,0]=3 297 B10R0.74 CCC(C)CCOCCOC 7a_100011215188_100000233755 [0,0,0,0,0,0|3,0,0]=3 298 B10R0.74 CCC(C)CCOCCSC 7a_100011215188_100000212216 [0,0,0,0,0,0|3,0,0]=3 299 B10R0.74 CCC(C)CNCCCC#N 2230a_100020588543_100000687738 [0,0,0,0,0,0|3,0,1]=4 300 B10R0.74 CCC(C)CNCCCC=O 2230a_100020588543_200011292268 [0,0,0,0,0,0|3,0,1]=4 301 B10R0.74 CCC(C)CNCCCCF 2230a_100020588543_100000729493 [0,0,0,0,0,0|3,0,0]=3 302 B10R0.74 CCC(C)CNCCCCO 2230a_100000750430_100000748023 [0,0,0,0,0,0|3,0,0]=3 303 B10R0.74 CCC(C)CNCCCCO 2230a_100020588543_100000210776 [0,0,0,0,0,0|3,0,0]=3 304 B10R0.74 CCC(C)CNCCCCO 270004a_100000750430_100000243153 [0,0,0,0,0,0|3,0,0]=3 305 B10R0.74 CCC(C)CNCCCCO 34a_100000750430_100000748023 [0,0,0,0,0,0|3,0,0]=3 306 B10R0.74 CCC(C)CNCCCOC 2230a_100020588543_100000740836 [0,0,0,0,0,0|3,0,0]=3 307 B10R0.74 CCC(C)CNCCCOC 270004a_100150723488_100000243153 [0,0,0,0,0,0|3,0,0]=3 308 B10R0.74 CCC(C)CNCCCOC 34a_100150723488_100000748023 [0,0,0,0,0,0|3,0,0]=3 309 B10R0.74 CCC(C)CNCCCSC 2230a_100000749238_100000748023 [0,0,0,0,0,0|3,0,0]=3 310 B10R0.74 CCC(C)CNCCCSC 270004a_100000749238_100000243153 [0,0,0,0,0,0|3,0,0]=3 311 B10R0.74 CCC(C)COCCCCBr 34a_100011216708_100000748023 [0,0,0,0,0,0|3,0,0]=3 312 B10R0.74 CCC(C)COCCCCCl 34a_100000210776_100000748023 [0,0,0,0,0,0|3,0,0]=3 313 B10R0.74 CCC(C)COCCCCCl 7a_100000210776_100000748023 [0,0,0,0,0,0|3,0,0]=3 314 B10R0.74 CCC(C)COCCCCF 34a_100011995726_100000748023 [0,0,0,0,0,0|3,0,0]=3 315 B10R0.74 CCC(C)COCCCCF 7a_100011995726_100000748023 [0,0,0,0,0,0|3,0,0]=3 316 B10R0.74 CCC(C)COCCCCI 34a_200012148704_100000748023 [0,0,0,0,0,0|3,0,0]=3 317 B10R0.74 CCC(C)COCCCCN 34a_100000750430_100000748023 [0,0,0,0,0,0|3,0,0]=3 318 B10R0.74 CCC(C)COCCCNC 34a_100000213112_100000748023 [0,0,0,0,0,0|3,0,0]=3 319 B10R0.74 CCC(C)COCCCOC 34a_100000740835_100000748023 [0,0,0,0,0,0|3,0,0]=3 320 B10R0.74 CCC(C)COCCCSC 34a_100000690336_100000748023 [0,0,0,0,0,0|3,0,0]=3 321 B10R0.74 CCC(C)COCCCSC 7a_100000690336_100000748023 [0,0,0,0,0,0|3,0,0]=3 322 B10R0.74 CCC(C)CSCCCC#N 62a_100000687738_100000748023 [0,0,0,0,0,0|3,0,1]=4 323 B10R0.74 CCC(C)CSCCCC#N 62a_100000748023_100000687738 [0,0,0,0,0,0|3,0,1]=4 324 B10R0.74 CCC(C)CSCCCC=O 62a_100000748023_200011292268 [0,0,0,0,0,0|3,0,1]=4 325 B10R0.74 CCC(C)CSCCCC=O 62a_200011292268_100000748023 [0,0,0,0,0,0|3,0,1]=4 326 B10R0.74 CCC(C)CSCCCCF 62a_100000729493_100000748023 [0,0,0,0,0,0|3,0,0]=3 327 B10R0.74 CCC(C)CSCCCCF 62a_100000748023_100000729493 [0,0,0,0,0,0|3,0,0]=3 328 B10R0.74 CCC(C)CSCCCCO 62a_100000210776_100000748023 [0,0,0,0,0,0|3,0,0]=3 329 B10R0.74 CCC(C)CSCCCCO 62a_100000748023_100000210776 [0,0,0,0,0,0|3,0,0]=3 330 B10R0.74 CCC(C)CSCCCOC 62a_100000709357_100000748023 [0,0,0,0,0,0|3,0,0]=3 331 B10R0.74 CCC(C)CSCCCOC 62a_100000748023_100000709357 [0,0,0,0,0,0|3,0,0]=3 332 B10R0.74 CCC(C)NCCCCC#N 2230a_100000209981_100000211819 [0,0,0,0,0,0|3,0,1]=4 333 B10R0.74 CCC(C)NCCCCC=O 2230a_100000209981_100000139335 [0,0,0,0,0,0|3,0,1]=4 334 B10R0.74 CCC(C)NCCCCCF 2230a_100000209981_100000729378 [0,0,0,0,0,0|3,0,0]=3 335 B10R0.74 CCC(C)NCCCCCO 2230a_100000209981_100000746330 [0,0,0,0,0,0|3,0,0]=3 336 B10R0.74 CCC(C)NCCCCCO 2230a_100000762737_100000758301 [0,0,0,0,0,0|3,0,0]=3 337 B10R0.74 CCC(C)NCCCCCO 34a_100000762737_100011215416 [0,0,0,0,0,0|3,0,0]=3 338 B10R0.74 CCC(C)NCCCCOC 2230a_100000209981_100000730899 [0,0,0,0,0,0|3,0,0]=3 339 B10R0.74 CCC(C)NCCOCCO 2230a_100000209981_100011215305 [0,0,0,0,0,0|4,0,0]=4 340 B10R0.74 CCC(C)NCCOCCO 2230a_100000211614_100000758301 [0,0,0,0,0,0|4,0,0]=4 341 B10R0.74 CCC(C)NCCOCCO 34a_100000211614_100011215416 [0,0,0,0,0,0|4,0,0]=4 342 B10R0.74 CCC(C)NCCSCCO 2230a_100011219999_100000758301 [0,0,0,0,0,0|4,0,0]=4 343 B10R0.74 CCC(C)NCOCCOC 2230a_100000209981_100000231047 [0,0,0,0,0,0|4,0,0]=4 344 B10R0.74 CCC(C)OCCCCC#N 7a_100000210228_100000211819 [0,0,0,0,0,0|3,0,1]=4 345 B10R0.74 CCC(C)OCCCCC=O 7a_100000210228_100000139335 [0,0,0,0,0,0|3,0,1]=4 346 B10R0.74 CCC(C)OCCCCCBr 34a_100000746331_100011215416 [0,0,0,0,0,0|3,0,0]=3 347 B10R0.74 CCC(C)OCCCCCBr 7a_100000746331_100000758301 [0,0,0,0,0,0|3,0,0]=3 348 B10R0.74 CCC(C)OCCCCCCl 34a_100000746330_100011215416 [0,0,0,0,0,0|3,0,0]=3 349 B10R0.74 CCC(C)OCCCCCCl 7a_100000746330_100000758301 [0,0,0,0,0,0|3,0,0]=3 350 B10R0.74 CCC(C)OCCCCCF 7a_100000210228_100000729378 [0,0,0,0,0,0|3,0,0]=3 351 B10R0.74 CCC(C)OCCCCCI 34a_200012148887_100011215416 [0,0,0,0,0,0|3,0,0]=3 352 B10R0.74 CCC(C)OCCCCCI 7a_200012148887_100000758301 [0,0,0,0,0,0|3,0,0]=3 353 B10R0.74 CCC(C)OCCCCCN 34a_100000762737_100011215416 [0,0,0,0,0,0|3,0,0]=3 354 B10R0.74 CCC(C)OCCCCCO 7a_100000210228_100000746330 [0,0,0,0,0,0|3,0,0]=3 355 B10R0.74 CCC(C)OCCCCOC 34a_100000740925_100011215416 [0,0,0,0,0,0|3,0,0]=3 356 B10R0.74 CCC(C)OCCCCOC 7a_100000210228_100000730899 [0,0,0,0,0,0|3,0,0]=3 357 B10R0.74 CCC(C)OCCCCSC 34a_100011217163_100011215416 [0,0,0,0,0,0|3,0,0]=3 358 B10R0.74 CCC(C)OCCCCSC 7a_100011217163_100000758301 [0,0,0,0,0,0|3,0,0]=3 359 B10R0.74 CCC(C)OCCOCCBr 34a_100000692535_100011215416 [0,0,0,0,0,0|4,0,0]=4 360 B10R0.74 CCC(C)OCCOCCBr 7a_100000692535_100000758301 [0,0,0,0,0,0|4,0,0]=4 361 B10R0.74 CCC(C)OCCOCCCl 34a_100011215305_100011215416 [0,0,0,0,0,0|4,0,0]=4 362 B10R0.74 CCC(C)OCCOCCCl 7a_100011215305_100000758301 [0,0,0,0,0,0|4,0,0]=4 363 B10R0.74 CCC(C)OCCOCCF 34a_200015357709_100011215416 [0,0,0,0,0,0|4,0,0]=4 364 B10R0.74 CCC(C)OCCOCCF 7a_200015357709_100000758301 [0,0,0,0,0,0|4,0,0]=4 365 B10R0.74 CCC(C)OCCOCCI 34a_100012149058_100011215416 [0,0,0,0,0,0|4,0,0]=4 366 B10R0.74 CCC(C)OCCOCCI 7a_100012149058_100000758301 [0,0,0,0,0,0|4,0,0]=4 367 B10R0.74 CCC(C)OCCOCCN 34a_100000211614_100011215416 [0,0,0,0,0,0|4,0,0]=4 368 B10R0.74 CCC(C)OCCOCCO 7a_100000210228_100011215305 [0,0,0,0,0,0|4,0,0]=4 369 B10R0.74 CCC(C)SCCCCC#N 62a_100000758301_100000211819 [0,0,0,0,0,0|3,0,1]=4 370 B10R0.74 CCC(C)SCCCCC#N 62a_100011219923_100000758301 [0,0,0,0,0,0|3,0,1]=4 371 B10R0.74 CCC(C)SCCCCC=O 62a_100000139335_100000758301 [0,0,0,0,0,0|3,0,1]=4 372 B10R0.74 CCC(C)SCCCCC=O 62a_100000758301_100000139335 [0,0,0,0,0,0|3,0,1]=4 373 B10R0.74 CCC(C)SCCCCCF 62a_100000729378_100000758301 [0,0,0,0,0,0|3,0,0]=3 374 B10R0.74 CCC(C)SCCCCCF 62a_100000758301_100000729378 [0,0,0,0,0,0|3,0,0]=3 375 B10R0.74 CCC(C)SCCCCCO 62a_100000746330_100000758301 [0,0,0,0,0,0|3,0,0]=3 376 B10R0.74 CCC(C)SCCCCCO 62a_100000758301_100000746330 [0,0,0,0,0,0|3,0,0]=3 377 B10R0.74 CCC(C)SCCCCOC 62a_100000730899_100000758301 [0,0,0,0,0,0|3,0,0]=3 378 B10R0.74 CCC(C)SCCCCOC 62a_100000758301_100000730899 [0,0,0,0,0,0|3,0,0]=3 379 B10R0.74 CCC(C)SCCOCCO 62a_100000758301_100011215305 [0,0,0,0,0,0|4,0,0]=4 380 B10R0.74 CCC(C)SCCOCCO 62a_100011215305_100000758301 [0,0,0,0,0,0|4,0,0]=4 381 B10R0.74 CCC(C)SCOCCOC 62a_100000231047_100000758301 [0,0,0,0,0,0|4,0,0]=4 382 B10R0.74 CCC(C)SCOCCOC 62a_100000758301_100000231047 [0,0,0,0,0,0|4,0,0]=4 383 B10R0.74 CCC(O)CNCC#CCO 2230a_100011218483_200000047223 [0,0,0,0,0,0|2,0,2]=4 384 B10R0.74 CCC(O)CNCCCC#N 2230a_100011218483_100000687738 [0,0,0,0,0,0|2,0,1]=3 385 B10R0.74 CCC(O)CNCCCC=O 2230a_100011218483_200011292268 [0,0,0,0,0,0|2,0,1]=3 386 B10R0.74 CCC(O)CNCCCCF 2230a_100011218483_100000729493 [0,0,0,0,0,0|2,0,0]=2 387 B10R0.74 CCC(O)CNCCCCO 2230a_100000750430_100011218378 [0,0,0,0,0,0|2,0,0]=2 388 B10R0.74 CCC(O)CNCCCCO 2230a_100011218483_100000210776 [0,0,0,0,0,0|2,0,0]=2 389 B10R0.74 CCC(O)CNCCCCO 34a_100000750430_100011218378 [0,0,0,0,0,0|2,0,0]=2 390 B10R0.74 CCC(O)CNCCCOC 2230a_100011218483_100000740836 [0,0,0,0,0,0|2,0,0]=2 391 B10R0.74 CCC(O)CNCCCOC 34a_100150723488_100011218378 [0,0,0,0,0,0|2,0,0]=2 392 B10R0.74 CCC(O)CNCCCSC 2230a_100000749238_100011218378 [0,0,0,0,0,0|2,0,0]=2 393 B10R0.74 CCC(O)COCC#CCCl 34a_200000047223_100011218378 [0,0,0,0,0,0|2,0,2]=4 394 B10R0.74 CCC(O)COCCCCBr 34a_100011216708_100011218378 [0,0,0,0,0,0|2,0,0]=2 395 B10R0.74 CCC(O)COCCCCCl 34a_100000210776_100011218378 [0,0,0,0,0,0|2,0,0]=2 396 B10R0.74 CCC(O)COCCCCCl 7a_100000210776_100011218378 [0,0,0,0,0,0|2,0,0]=2 397 B10R0.74 CCC(O)COCCCCF 34a_100011995726_100011218378 [0,0,0,0,0,0|2,0,0]=2 398 B10R0.74 CCC(O)COCCCCF 7a_100011995726_100011218378 [0,0,0,0,0,0|2,0,0]=2 399 B10R0.74 CCC(O)COCCCCI 34a_200012148704_100011218378 [0,0,0,0,0,0|2,0,0]=2 400 B10R0.74 CCC(O)COCCCCN 34a_100000750430_100011218378 [0,0,0,0,0,0|2,0,0]=2 401 B10R0.74 CCC(O)COCCCNC 34a_100000213112_100011218378 [0,0,0,0,0,0|2,0,0]=2 402 B10R0.74 CCC(O)COCCCOC 34a_100000740835_100011218378 [0,0,0,0,0,0|2,0,0]=2 403 B10R0.74 CCC(O)COCCCSC 34a_100000690336_100011218378 [0,0,0,0,0,0|2,0,0]=2 404 B10R0.74 CCC(O)COCCCSC 7a_100000690336_100011218378 [0,0,0,0,0,0|2,0,0]=2 405 B10R0.74 CCC(O)CSCC#CCO 62a_100011218378_200000047223 [0,0,0,0,0,0|2,0,2]=4 406 B10R0.74 CCC(O)CSCC#CCO 62a_200000047223_100011218378 [0,0,0,0,0,0|2,0,2]=4 407 B10R0.74 CCC(O)CSCCCC#N 62a_100000687738_100011218378 [0,0,0,0,0,0|2,0,1]=3 408 B10R0.74 CCC(O)CSCCCC#N 62a_100011218378_100000687738 [0,0,0,0,0,0|2,0,1]=3 409 B10R0.74 CCC(O)CSCCCC=O 62a_100011218378_200011292268 [0,0,0,0,0,0|2,0,1]=3 410 B10R0.74 CCC(O)CSCCCC=O 62a_200011292268_100011218378 [0,0,0,0,0,0|2,0,1]=3 411 B10R0.74 CCC(O)CSCCCCF 62a_100000729493_100011218378 [0,0,0,0,0,0|2,0,0]=2 412 B10R0.74 CCC(O)CSCCCCF 62a_100011218378_100000729493 [0,0,0,0,0,0|2,0,0]=2 413 B10R0.74 CCC(O)CSCCCCO 62a_100000210776_100011218378 [0,0,0,0,0,0|2,0,0]=2 414 B10R0.74 CCC(O)CSCCCCO 62a_100011218378_100000210776 [0,0,0,0,0,0|2,0,0]=2 415 B10R0.74 CCC(O)CSCCCOC 62a_100000709357_100011218378 [0,0,0,0,0,0|2,0,0]=2 416 B10R0.74 CCC(O)CSCCCOC 62a_100011218378_100000709357 [0,0,0,0,0,0|2,0,0]=2 417 B10R0.74 CCC(O)CSCCSC#N 62a_100000034367_100011218378 [0,0,0,0,0,0|3,0,1]=4 418 B10R0.74 CCC(O)CSCCSC#N 62a_100011218378_100000034367 [0,0,0,0,0,0|3,0,1]=4 419 B10R0.74 CCC/C=C/COC(C)CC 34a_100016278788_100011215416 [0,0,0,0,0,0|2,0,2]=4 420 B10R0.74 CCC/C=C/COC(C)CC 7a_100016278788_100000758301 [0,0,0,0,0,0|2,0,2]=4 421 B10R0.74 CCCC#CCOC(C)CC 34a_100000034806_100011215416 [0,0,0,0,0,0|2,0,2]=4 422 B10R0.74 CCCC#CCOC(C)CC 7a_100000034806_100000758301 [0,0,0,0,0,0|2,0,2]=4 423 B10R0.74 CCCC/C=C/CC(=O)CC 1458a_200016282684_100000210202 [0,0,0,0,0,0|0,0,4]=4 424 B10R0.74 CCCC=NNCC(O)CC 4a_100015206393_100000185831 [0,0,0,0,0,0|2,0,1]=3 425 B10R0.74 CCCCC=NNC(C)CC 4a_100000718999_100000210104 [0,0,0,0,0,0|3,0,1]=4 426 B10R0.74 CCCCCC#CC(=O)CC 1458a_100011215388_100000210202 [0,0,0,0,0,0|0,0,4]=4 427 B10R0.74 CCCCCC=CC(=O)CC 1458a_100016263427_100000210202 [0,0,0,0,0,0|0,0,4]=4 428 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [0,0,0,0,0,0|0,0,2]=2 429 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [0,0,0,0,0,0|0,0,2]=2 430 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [0,0,0,0,0,0|1,0,2]=3 431 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [0,0,0,0,0,0|1,0,2]=3 432 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [0,0,0,0,0,0|1,0,2]=3 433 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [0,0,0,0,0,0|1,0,2]=3 434 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [0,0,0,0,0,0|1,0,2]=3 435 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [0,0,0,0,0,0|1,0,2]=3 436 B10R0.74 CCCCCCCC(C)NC 2230a_106832991635_200011218727 [0,0,0,0,0,0|2,0,0]=2 437 B10R0.74 CCCCCCCC(C)NC 270004a_106832991635_100000210596 [0,0,0,0,0,0|2,0,0]=2 438 B10R0.74 CCCCCCCC(C)NC 34a_100102657272_200011218727 [0,0,0,0,0,0|2,0,0]=2 439 B10R0.74 CCCCCCCC(C)NC 7a_106832991635_200011218727 [0,0,0,0,0,0|2,0,0]=2 440 B10R0.74 CCCCCCCC(C)OC 34a_100138415774_200011218727 [0,0,0,0,0,0|2,0,0]=2 441 B10R0.74 CCCCCCCC(C)OC 34a_200011215852_200000210301 [0,0,0,0,0,0|2,0,0]=2 442 B10R0.74 CCCCCCCC(C)OC 7a_200011215852_200000210301 [0,0,0,0,0,0|2,0,0]=2 443 B10R0.74 CCCCCCCC(C)O[13CH3] 34a_200011215852_200025704644 [0,0,0,0,0,0|2,0,0]=2 444 B10R0.74 CCCCCCCC(C)O[13CH3] 7a_200011215852_200025704644 [0,0,0,0,0,0|2,0,0]=2 445 B10R0.74 CCCCCCCC(C)SC 62a_200000210301_200011218727 [0,0,0,0,0,0|2,0,0]=2 446 B10R0.74 CCCCCCCC(C)SC 62a_200011218727_200000210301 [0,0,0,0,0,0|2,0,0]=2 447 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200011218727_200025704644 [0,0,0,0,0,0|2,0,0]=2 448 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200025704644_200011218727 [0,0,0,0,0,0|2,0,0]=2 449 B10R0.74 CCCCCCCN(C)CC 2230a_100000225621_100000210681 [0,0,0,0,0,0|2,0,0]=2 450 B10R0.74 CCCCCCCN(C)CC 2230a_100000228206_100000210202 [0,0,0,0,0,0|2,0,0]=2 451 B10R0.74 CCCCCCCN(C)CC 2230a_100000228213_200000210301 [0,0,0,0,0,0|2,0,0]=2 452 B10R0.74 CCCCCCCN(C)CC 269982a_100000225621_100000210681 [0,0,0,0,0,0|2,0,0]=2 453 B10R0.74 CCCCCCCN(C)CC 269982a_100000228206_100000204670 [0,0,0,0,0,0|2,0,0]=2 454 B10R0.74 CCCCCCCN(C)CC 269982a_100000228213_200000210301 [0,0,0,0,0,0|2,0,0]=2 455 B10R0.74 CCCCCCCN(C)CF 269982a_100000228206_100015361967 [0,0,0,0,0,0|3,0,0]=3 456 B10R0.74 CCCCCCCN([13CH3])CC 2230a_100000228213_200025704644 [0,0,0,0,0,0|2,0,0]=2 457 B10R0.74 CCCCCCCN([13CH3])CC 269982a_100000228213_200025704644 [0,0,0,0,0,0|2,0,0]=2 458 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [0,0,0,0,0,0|1,0,2]=3 459 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [0,0,0,0,0,0|1,0,2]=3 460 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [0,0,0,0,0,0|1,0,2]=3 461 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [0,0,0,0,0,0|1,0,2]=3 462 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [0,0,0,0,0,0|2,0,2]=4 463 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [0,0,0,0,0,0|2,0,2]=4 464 B10R0.74 CCCCCCNC(=O)NC 2708a_100000210581_106832991635 [0,0,0,0,0,0|2,0,2]=4 465 B10R0.74 CCCCCCNC(=O)NC 2708a_100102657272_100000210581 [0,0,0,0,0,0|2,0,2]=4 466 B10R0.74 CCCCCCNC(=O)NC 273464a_100000210581_100102657272 [0,0,0,0,0,0|2,0,2]=4 467 B10R0.74 CCCCCCNC(=O)NC 273464a_100102657272_100000210581 [0,0,0,0,0,0|2,0,2]=4 468 B10R0.74 CCCCCCNC(=O)NC 512a_100000210581_100102657272 [0,0,0,0,0,0|2,0,2]=4 469 B10R0.74 CCCCCCNC(=O)NC 512a_106832991638_100000210581 [0,0,0,0,0,0|2,0,2]=4 470 B10R0.74 CCCCCCNC(C)C#N 2230a_100000210581_100000184139 [0,0,0,0,0,0|3,0,1]=4 471 B10R0.74 CCCCCCNC(C)C#N 2230a_100000737613_100000210314 [0,0,0,0,0,0|3,0,1]=4 472 B10R0.74 CCCCCCNC(C)CC 2230a_100000209981_100000210314 [0,0,0,0,0,0|2,0,0]=2 473 B10R0.74 CCCCCCNC(C)CC 2230a_100000210581_100000758301 [0,0,0,0,0,0|2,0,0]=2 474 B10R0.74 CCCCCCNC(C)CO 2230a_100000210581_100012180447 [0,0,0,0,0,0|3,0,0]=3 475 B10R0.74 CCCCCCN[C@H](C)CO 2230a_100000737577_100000210314 [0,0,0,0,0,0|3,0,0]=3 476 B10R0.74 CCCCCCOC(C)C#N 34a_100011218135_100000210314 [0,0,0,0,0,0|3,0,1]=4 477 B10R0.74 CCCCCCOC(C)C#N 7a_100000210259_100000703298 [0,0,0,0,0,0|3,0,1]=4 478 B10R0.74 CCCCCCOC(C)CC 34a_100000210259_100011215416 [0,0,0,0,0,0|2,0,0]=2 479 B10R0.74 CCCCCCOC(C)CC 7a_100000210228_100000210314 [0,0,0,0,0,0|2,0,0]=2 480 B10R0.74 CCCCCCOC(C)CC 7a_100000210259_100000758301 [0,0,0,0,0,0|2,0,0]=2 481 B10R0.74 CCCCCCOC(C)CF 34a_100016041109_100000210314 [0,0,0,0,0,0|3,0,0]=3 482 B10R0.74 CCCCCCOC(C)CF 7a_100016041109_100000210314 [0,0,0,0,0,0|3,0,0]=3 483 B10R0.74 CCCCCCOC(C)CN 34a_100000210904_100000210314 [0,0,0,0,0,0|3,0,0]=3 484 B10R0.74 CCCCCCOC(C)CO 34a_100000210259_100012180447 [0,0,0,0,0,0|3,0,0]=3 485 B10R0.74 CCCCCCOC(C)CO 7a_100000210259_100012180447 [0,0,0,0,0,0|3,0,0]=3 486 B10R0.74 CCCCCCSC(C)C#N 62a_100000210314_100000703298 [0,0,0,0,0,0|3,0,1]=4 487 B10R0.74 CCCCCCSC(C)C#N 62a_100000703298_100000210757 [0,0,0,0,0,0|3,0,1]=4 488 B10R0.74 CCCCCCSC(C)CC 62a_100000210314_100000758301 [0,0,0,0,0,0|2,0,0]=2 489 B10R0.74 CCCCCCSC(C)CC 62a_100000758301_100000210757 [0,0,0,0,0,0|2,0,0]=2 490 B10R0.74 CCCCCCSC(C)CO 62a_100012180447_100000210757 [0,0,0,0,0,0|3,0,0]=3 491 B10R0.74 CCCCCCSC(C)OC 62a_100000210314_100009879195 [0,0,0,0,0,0|3,0,0]=3 492 B10R0.74 CCCCCCSC(C)OC 62a_100009879195_100000210757 [0,0,0,0,0,0|3,0,0]=3 493 B10R0.74 CCCCCCSC(F)C#N 62a_100000210314_200000117898 [0,0,0,0,0,0|3,0,1]=4 494 B10R0.74 CCCCCCSC(F)C#N 62a_200000117898_100000210757 [0,0,0,0,0,0|3,0,1]=4 495 B10R0.74 CCCCCCS[C@H](C)CO 62a_100000210314_100016084084 [0,0,0,0,0,0|3,0,0]=3 496 B10R0.74 CCCCCCS[C@H](C)CO 62a_100016084084_100000210757 [0,0,0,0,0,0|3,0,0]=3 497 B10R0.74 CCCCCNCC(=O)NC 2230a_100000209983_100000183359 [0,0,0,0,0,0|2,0,2]=4 498 B10R0.74 CCCCCNCC(=O)NC 2230a_100000693194_100000210326 [0,0,0,0,0,0|2,0,2]=4 499 B10R0.74 CCCCCNCC(=O)OC 2230a_100000209983_100000747449 [0,0,0,0,0,0|2,0,2]=4 500 B10R0.74 CCCCCNCC(C)CC 2230a_100000209983_100000748023 [0,0,0,0,0,0|2,0,0]=2 501 B10R0.74 CCCCCNCC(C)CC 2230a_100020588543_100000210326 [0,0,0,0,0,0|2,0,0]=2 502 B10R0.74 CCCCCNCC(C)CC 270004a_100000209983_100000243153 [0,0,0,0,0,0|2,0,0]=2 503 B10R0.74 CCCCCNCC(C)CO 34a_100000744482_100000718602 [0,0,0,0,0,0|3,0,0]=3 504 B10R0.74 CCCCCNCC(O)CC 2230a_100000209983_100011218378 [0,0,0,0,0,0|1,0,0]=1 505 B10R0.74 CCCCCNCC(O)CC 2230a_100011218483_100000210326 [0,0,0,0,0,0|1,0,0]=1 506 B10R0.74 CCCCCNCC(O)CO 2230a_100000209983_100011219619 [0,0,0,0,0,0|2,0,0]=2 507 B10R0.74 CCCCCNC[C@@H](C)CC 2230a_100000209983_100009816398 [0,0,0,0,0,0|2,0,0]=2 508 B10R0.74 CCCCCNC[C@@H](C)CO 2230a_100000209983_100000059175 [0,0,0,0,0,0|3,0,0]=3 509 B10R0.74 CCCCCNC[C@@H](C)OC 2230a_100020591295_100000210326 [0,0,0,0,0,0|3,0,0]=3 510 B10R0.74 CCCCCNC[C@@H](F)CO 34a_100015665980_100000718602 [0,0,0,0,0,0|3,0,0]=3 511 B10R0.74 CCCCCNC[C@@H](O)CF 2230a_100000209983_100015614560 [0,0,0,0,0,0|2,0,0]=2 512 B10R0.74 CCCCCNC[C@@H](O)CO 2230a_100000209983_100009815848 [0,0,0,0,0,0|2,0,0]=2 513 B10R0.74 CCCCCNC[C@H](O)CO 2230a_100020644852_100000210326 [0,0,0,0,0,0|2,0,0]=2 514 B10R0.74 CCCCCNNC(=O)CC 22a_100000694160_100000210414 [0,0,0,0,0,0|2,0,2]=4 515 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [0,0,0,0,0,0|1,0,2]=3 516 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [0,0,0,0,0,0|1,0,2]=3 517 B10R0.74 CCCCCOCC(=O)NC 34a_100000210253_100000183359 [0,0,0,0,0,0|2,0,2]=4 518 B10R0.74 CCCCCOCC(=O)NC 34a_100000750040_100000718602 [0,0,0,0,0,0|2,0,2]=4 519 B10R0.74 CCCCCOCC(=O)NC 7a_100000210253_100000183359 [0,0,0,0,0,0|2,0,2]=4 520 B10R0.74 CCCCCOCC(=O)OC 34a_100000210253_100000747449 [0,0,0,0,0,0|2,0,2]=4 521 B10R0.74 CCCCCOCC(=O)OC 7a_100000210253_100000747449 [0,0,0,0,0,0|2,0,2]=4 522 B10R0.74 CCCCCOCC(C)CC 34a_100000210253_100000748023 [0,0,0,0,0,0|2,0,0]=2 523 B10R0.74 CCCCCOCC(C)CC 7a_100000210253_100000748023 [0,0,0,0,0,0|2,0,0]=2 524 B10R0.74 CCCCCOCC(C)CN 34a_100000744482_100000718602 [0,0,0,0,0,0|3,0,0]=3 525 B10R0.74 CCCCCOCC(C)OC 34a_100000690652_100000718602 [0,0,0,0,0,0|3,0,0]=3 526 B10R0.74 CCCCCOCC(Cl)CCl 34a_100000033668_100000718602 [0,0,0,0,0,0|3,0,0]=3 527 B10R0.74 CCCCCOCC(O)CC 34a_100000210253_100011218378 [0,0,0,0,0,0|1,0,0]=1 528 B10R0.74 CCCCCOCC(O)CC 7a_100000210253_100011218378 [0,0,0,0,0,0|1,0,0]=1 529 B10R0.74 CCCCCOCC(O)CO 34a_100000210253_100011219619 [0,0,0,0,0,0|2,0,0]=2 530 B10R0.74 CCCCCOCC(O)CO 7a_100000210253_100011219619 [0,0,0,0,0,0|2,0,0]=2 531 B10R0.74 CCCCCOC[C@@H](C)CC 34a_100000210253_100009816398 [0,0,0,0,0,0|2,0,0]=2 532 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100000210253_100009816398 [0,0,0,0,0,0|2,0,0]=2 533 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100009816381_100000210326 [0,0,0,0,0,0|2,0,0]=2 534 B10R0.74 CCCCCOC[C@@H](C)CO 34a_100000210253_100000059175 [0,0,0,0,0,0|3,0,0]=3 535 B10R0.74 CCCCCOC[C@@H](C)CO 7a_100000210253_100000059175 [0,0,0,0,0,0|3,0,0]=3 536 B10R0.74 CCCCCOC[C@@H](O)CF 34a_100000210253_100015614560 [0,0,0,0,0,0|2,0,0]=2 537 B10R0.74 CCCCCOC[C@@H](O)CF 7a_100000210253_100015614560 [0,0,0,0,0,0|2,0,0]=2 538 B10R0.74 CCCCCOC[C@@H](O)CO 34a_100000210253_100009815848 [0,0,0,0,0,0|2,0,0]=2 539 B10R0.74 CCCCCOC[C@@H](O)CO 7a_100000210253_100009815848 [0,0,0,0,0,0|2,0,0]=2 540 B10R0.74 CCCCCOC[C@H](F)CN 34a_100015665980_100000718602 [0,0,0,0,0,0|3,0,0]=3 541 B10R0.74 CCCCCSCC(=O)CC 62a_100000210326_100000747405 [0,0,0,0,0,0|1,0,2]=3 542 B10R0.74 CCCCCSCC(=O)CC 62a_100000747405_100000210326 [0,0,0,0,0,0|1,0,2]=3 543 B10R0.74 CCCCCSCC(=O)NC 62a_100000183359_100000210326 [0,0,0,0,0,0|2,0,2]=4 544 B10R0.74 CCCCCSCC(=O)NC 62a_100000210326_100000183359 [0,0,0,0,0,0|2,0,2]=4 545 B10R0.74 CCCCCSCC(=O)OC 62a_100000210326_100000747449 [0,0,0,0,0,0|2,0,2]=4 546 B10R0.74 CCCCCSCC(=O)OC 62a_100000747449_100000210326 [0,0,0,0,0,0|2,0,2]=4 547 B10R0.74 CCCCCSCC(C)CC 62a_100000210326_100000748023 [0,0,0,0,0,0|2,0,0]=2 548 B10R0.74 CCCCCSCC(C)CC 62a_100000748023_100000210326 [0,0,0,0,0,0|2,0,0]=2 549 B10R0.74 CCCCCSCC(O)CC 62a_100000210326_100011218378 [0,0,0,0,0,0|1,0,0]=1 550 B10R0.74 CCCCCSCC(O)CC 62a_100011218378_100000210326 [0,0,0,0,0,0|1,0,0]=1 551 B10R0.74 CCCCCSCC(O)CO 62a_100000210326_100011219619 [0,0,0,0,0,0|2,0,0]=2 552 B10R0.74 CCCCCSCC(O)CO 62a_100011219619_100000210326 [0,0,0,0,0,0|2,0,0]=2 553 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100000210326_100009816398 [0,0,0,0,0,0|2,0,0]=2 554 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100009816398_100000210326 [0,0,0,0,0,0|2,0,0]=2 555 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000059175_100000210326 [0,0,0,0,0,0|3,0,0]=3 556 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000210326_100000059175 [0,0,0,0,0,0|3,0,0]=3 557 B10R0.74 CCCCCSC[C@@H](O)CF 62a_100000210326_100015614560 [0,0,0,0,0,0|2,0,0]=2 558 B10R0.74 CCCCCSC[C@@H](O)CF 62a_100015614560_100000210326 [0,0,0,0,0,0|2,0,0]=2 559 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100000210326_100009815848 [0,0,0,0,0,0|2,0,0]=2 560 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100009815848_100000210326 [0,0,0,0,0,0|2,0,0]=2 561 B10R0.74 CCCCNCCC(=O)NC 2230a_100000102301_100000737683 [0,0,0,0,0,0|2,0,2]=4 562 B10R0.74 CCCCNCCC(=O)NC 2230a_100000738227_100000210211 [0,0,0,0,0,0|2,0,2]=4 563 B10R0.74 CCCCNCCC(=O)NC 34a_100000738227_100000210210 [0,0,0,0,0,0|2,0,2]=4 564 B10R0.74 CCCCNCCC(=O)NC 7a_106832991798_100000737683 [0,0,0,0,0,0|2,0,2]=4 565 B10R0.74 CCCCNCCC(=O)OC 2230a_100000102301_100000204255 [0,0,0,0,0,0|2,0,2]=4 566 B10R0.74 CCCCNCCC(=O)OC 7a_106832991798_100000204255 [0,0,0,0,0,0|2,0,2]=4 567 B10R0.74 CCCCNCCC(C)CC 2230a_100020591266_100000210211 [0,0,0,0,0,0|2,0,0]=2 568 B10R0.74 CCCCNCCC(C)CO 2230a_106354213184_100000210211 [0,0,0,0,0,0|3,0,0]=3 569 B10R0.74 CCCCNCCC(C)CO 34a_106354213184_100000210210 [0,0,0,0,0,0|3,0,0]=3 570 B10R0.74 CCCCNN=CC(C)CC 4a_100025702795_100000243153 [0,0,0,0,0,0|3,0,1]=4 571 B10R0.74 CCCCNN=CC(O)CO 4a_100025702795_100000033539 [0,0,0,0,0,0|3,0,1]=4 572 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [0,0,0,0,0,0|1,0,2]=3 573 B10R0.74 CCCCOCCC(=O)CO 1458a_100000210174_100000743108 [0,0,0,0,0,0|2,0,2]=4 574 B10R0.74 CCCCOCCC(=O)NC 34a_100000210227_100012179268 [0,0,0,0,0,0|2,0,2]=4 575 B10R0.74 CCCCOCCC(=O)NC 34a_100000754576_100000210210 [0,0,0,0,0,0|2,0,2]=4 576 B10R0.74 CCCCOCCC(=O)NC 7a_100000210227_100000737683 [0,0,0,0,0,0|2,0,2]=4 577 B10R0.74 CCCCOCCC(=O)OC 34a_100000210227_100000742370 [0,0,0,0,0,0|2,0,2]=4 578 B10R0.74 CCCCOCCC(=O)OC 7a_100000210227_100000204255 [0,0,0,0,0,0|2,0,2]=4 579 B10R0.74 CCCCOCCC(C)CC 7a_100011215188_100000210211 [0,0,0,0,0,0|2,0,0]=2 580 B10R0.74 CCCCOCCC(C)OC 7a_100000764861_100000210211 [0,0,0,0,0,0|3,0,0]=3 581 B10R0.74 CCCCOCCN(C)CC 2230a_100000225621_100000743108 [0,0,0,0,0,0|3,0,0]=3 582 B10R0.74 CCCCOCCN(C)CC 269982a_100000225621_100000743108 [0,0,0,0,0,0|3,0,0]=3 583 B10R0.74 CCCCOCNC(C)CC 2230a_100000209981_100011995733 [0,0,0,0,0,0|3,0,0]=3 584 B10R0.74 CCCCOCN[C@H](C)CO 2230a_100000737577_100011995733 [0,0,0,0,0,0|4,0,0]=4 585 B10R0.74 CCCCOCOC(C)CF 34a_100016041109_100011995733 [0,0,0,0,0,0|4,0,0]=4 586 B10R0.74 CCCCOCOC(C)CN 34a_100000210904_100011995733 [0,0,0,0,0,0|4,0,0]=4 587 B10R0.74 CCCCOCSC(C)CC 62a_100000758301_100011995733 [0,0,0,0,0,0|3,0,0]=3 588 B10R0.74 CCCCOCSC(C)CC 62a_100011995733_100000758301 [0,0,0,0,0,0|3,0,0]=3 589 B10R0.74 CCCCOCSC(C)CO 62a_100012180447_100011995733 [0,0,0,0,0,0|4,0,0]=4 590 B10R0.74 CCCCOCSC(C)OC 62a_100009879195_100011995733 [0,0,0,0,0,0|4,0,0]=4 591 B10R0.74 CCCCOCSC(C)OC 62a_100011995733_100009879195 [0,0,0,0,0,0|4,0,0]=4 592 B10R0.74 CCCCOCS[C@H](C)CO 62a_100011995733_100016084084 [0,0,0,0,0,0|4,0,0]=4 593 B10R0.74 CCCCOCS[C@H](C)CO 62a_100016084084_100011995733 [0,0,0,0,0,0|4,0,0]=4 594 B10R0.74 CCCCSCCC(=O)NC 62a_100000210211_100000737683 [0,0,0,0,0,0|2,0,2]=4 595 B10R0.74 CCCCSCCC(=O)NC 62a_100000737683_100000210210 [0,0,0,0,0,0|2,0,2]=4 596 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [0,0,0,0,0,0|2,0,2]=4 597 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [0,0,0,0,0,0|2,0,2]=4 598 B10R0.74 CCCNCCCC(=O)NC 2230a_100000740002_100000210303 [0,0,0,0,0,0|2,0,2]=4 599 B10R0.74 CCCNCCCC(=O)NC 34a_100000740002_100000210303 [0,0,0,0,0,0|2,0,2]=4 600 B10R0.74 CCCNCCNC(=O)CC 34a_100132302217_100000210303 [0,0,0,0,0,0|2,0,2]=4 601 B10R0.74 CCCOCCCC(=O)NC 34a_100000210258_100000741757 [0,0,0,0,0,0|2,0,2]=4 602 B10R0.74 CCCOCCCC(=O)OC 34a_100000210258_100000742333 [0,0,0,0,0,0|2,0,2]=4 603 B10R0.74 CCCOCCCC(C)CC 7a_100011216074_100000210303 [0,0,0,0,0,0|2,0,0]=2 604 B10R0.74 CCCOCCC[C@@H](C)CN 34a_100160569302_100000210303 [0,0,0,0,0,0|3,0,0]=3 605 B10R0.74 CCCOCCNC(=O)CC 1626a_100161115042_100000210414 [0,0,0,0,0,0|2,0,2]=4 606 B10R0.74 CCCOCCNC(=O)CC 240690a_100161115042_100000210414 [0,0,0,0,0,0|2,0,2]=4 607 B10R0.74 CCCOCCNC(=O)CC 34a_200000158885_100000210303 [0,0,0,0,0,0|2,0,2]=4 608 B10R0.74 CCCOCCNC(=O)CC 527a_100161115042_100000210414 [0,0,0,0,0,0|2,0,2]=4 609 B10R0.74 CCCOCCNC(=O)CC 7a_200000158885_100000210303 [0,0,0,0,0,0|2,0,2]=4 610 B10R0.74 CCCOCCNC(C)CC 2230a_100000209981_100011215938 [0,0,0,0,0,0|3,0,0]=3 611 B10R0.74 CCCOCCNC(C)CC 2230a_100161115042_100000758301 [0,0,0,0,0,0|3,0,0]=3 612 B10R0.74 CCCOCCNC(C)CC 34a_100161115042_100011215416 [0,0,0,0,0,0|3,0,0]=3 613 B10R0.74 CCCOCCNC(C)CO 2230a_100161115042_100012180447 [0,0,0,0,0,0|4,0,0]=4 614 B10R0.74 CCCOCCNC(C)CO 34a_100161115042_100012180447 [0,0,0,0,0,0|4,0,0]=4 615 B10R0.74 CCCOCCN[C@H](C)CO 2230a_100000737577_100011215938 [0,0,0,0,0,0|4,0,0]=4 616 B10R0.74 CCCOCCOC(=O)CC 7a_200000031056_100000210303 [0,0,0,0,0,0|2,0,2]=4 617 B10R0.74 CCCOCCOC(C)CC 34a_100000752267_100011215416 [0,0,0,0,0,0|3,0,0]=3 618 B10R0.74 CCCOCCOC(C)CC 7a_100000210228_100011215938 [0,0,0,0,0,0|3,0,0]=3 619 B10R0.74 CCCOCCOC(C)CC 7a_100000752267_100000758301 [0,0,0,0,0,0|3,0,0]=3 620 B10R0.74 CCCOCCOC(C)CF 34a_100016041109_100011215938 [0,0,0,0,0,0|4,0,0]=4 621 B10R0.74 CCCOCCOC(C)CF 7a_100016041109_100011215938 [0,0,0,0,0,0|4,0,0]=4 622 B10R0.74 CCCOCCOC(C)CN 34a_100000210904_100011215938 [0,0,0,0,0,0|4,0,0]=4 623 B10R0.74 CCCOCCOC(C)CO 34a_100000752267_100012180447 [0,0,0,0,0,0|4,0,0]=4 624 B10R0.74 CCCOCCOC(C)CO 7a_100000752267_100012180447 [0,0,0,0,0,0|4,0,0]=4 625 B10R0.74 CCCOCCSC(C)CC 62a_100000758301_100011215938 [0,0,0,0,0,0|3,0,0]=3 626 B10R0.74 CCCOCCSC(C)CC 62a_100011215938_100000758301 [0,0,0,0,0,0|3,0,0]=3 627 B10R0.74 CCCOCCSC(C)CO 62a_100012180447_100011215938 [0,0,0,0,0,0|4,0,0]=4 628 B10R0.74 CCCOCCSC(C)OC 62a_100009879195_100011215938 [0,0,0,0,0,0|4,0,0]=4 629 B10R0.74 CCCOCCSC(C)OC 62a_100011215938_100009879195 [0,0,0,0,0,0|4,0,0]=4 630 B10R0.74 CCCOCCS[C@H](C)CO 62a_100011215938_100016084084 [0,0,0,0,0,0|4,0,0]=4 631 B10R0.74 CCCOCCS[C@H](C)CO 62a_100016084084_100011215938 [0,0,0,0,0,0|4,0,0]=4 632 B10R0.74 CCCSCCCC(=O)NC 62a_100000210303_100000741757 [0,0,0,0,0,0|2,0,2]=4 633 B10R0.74 CCCSCCCC(=O)NC 62a_100000741757_100000210303 [0,0,0,0,0,0|2,0,2]=4 634 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [0,0,0,0,0,0|2,0,2]=4 635 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [0,0,0,0,0,0|2,0,2]=4 636 B10R0.74 CCCSCCCN(C)CC 62a_100000210303_100015186262 [0,0,0,0,0,0|3,0,0]=3 637 B10R0.74 CCCSCCNC(=O)CC 11a_100020603323_100000210414 [0,0,0,0,0,0|2,0,2]=4 638 B10R0.74 CCCSCCNC(=O)CC 240690a_100020603323_100000210414 [0,0,0,0,0,0|2,0,2]=4 639 B10R0.74 CCCSCCNC(=O)CC 527a_100020603323_100000210414 [0,0,0,0,0,0|2,0,2]=4 640 B10R0.74 CCCSCCNC(C)CC 2230a_100020603323_100000758301 [0,0,0,0,0,0|3,0,0]=3 641 B10R0.74 CCCSCCNC(C)CO 2230a_100020603323_100012180447 [0,0,0,0,0,0|4,0,0]=4 642 B10R0.74 CCCSCCOC(C)CC 34a_200000230433_100011215416 [0,0,0,0,0,0|3,0,0]=3 643 B10R0.74 CCCSCCOC(C)CC 7a_200000230433_100000758301 [0,0,0,0,0,0|3,0,0]=3 644 B10R0.74 CCCSCCOC(C)CO 34a_200000230433_100012180447 [0,0,0,0,0,0|4,0,0]=4 645 B10R0.74 CCCSCCOC(C)CO 7a_200000230433_100012180447 [0,0,0,0,0,0|4,0,0]=4 646 B10R0.74 CCN(C)CCCCCC#N 2230a_100000225621_100009813376 [0,0,0,0,0,0|3,0,1]=4 647 B10R0.74 CCN(C)CCCCCC#N 269982a_100000225621_100009813376 [0,0,0,0,0,0|3,0,1]=4 648 B10R0.74 CCN(C)CCCCCC=O 2230a_100000225621_100000139337 [0,0,0,0,0,0|3,0,1]=4 649 B10R0.74 CCN(C)CCCCCC=O 269982a_100000225621_100000139337 [0,0,0,0,0,0|3,0,1]=4 650 B10R0.74 CCN(C)CCCCCCF 2230a_100000225621_100015922095 [0,0,0,0,0,0|3,0,0]=3 651 B10R0.74 CCN(C)CCCCCCF 269982a_100000225621_100015922095 [0,0,0,0,0,0|3,0,0]=3 652 B10R0.74 CCN(C)CCCCCCO 2230a_100000225621_100000766143 [0,0,0,0,0,0|3,0,0]=3 653 B10R0.74 CCN(C)CCCCCCO 269982a_100000225621_100000766143 [0,0,0,0,0,0|3,0,0]=3 654 B10R0.74 CCN(C)CCCNCCO 2230a_100016997473_100015186262 [0,0,0,0,0,0|4,0,0]=4 655 B10R0.74 CCN(C)CCCSCCF 62a_100011217306_100015186262 [0,0,0,0,0,0|4,0,0]=4 656 B10R0.74 CCN(C)CCCSCCO 62a_100000211926_100015186262 [0,0,0,0,0,0|4,0,0]=4 657 B10R0.74 CCN(C)CCCSCOC 62a_100000766300_100015186262 [0,0,0,0,0,0|4,0,0]=4 658 B10R0.74 CCN(C)CCCSCSC 62a_100011218213_100015186262 [0,0,0,0,0,0|4,0,0]=4 659 B10R0.74 CCN(C)CCOCCOC 2230a_100000225621_100000695917 [0,0,0,0,0,0|4,0,0]=4 660 B10R0.74 CCN(C)CCOCCOC 269982a_100000225621_100000695917 [0,0,0,0,0,0|4,0,0]=4 661 B10R0.74 CCNCCCCC(=O)OC 2230a_100015525214_100000204269 [0,0,0,0,0,0|2,0,2]=4 662 B10R0.74 CCOCCCCC(=O)OC 34a_100000059025_100000210202 [0,0,0,0,0,0|2,0,2]=4 663 B10R0.74 CCOCCCCC(=O)OC 34a_100121572206_100000204269 [0,0,0,0,0,0|2,0,2]=4 664 B10R0.74 CCOCCCCC(=O)OC 7a_100000059025_100000210202 [0,0,0,0,0,0|2,0,2]=4 665 B10R0.74 CCOCCCNC(=O)CC 11a_100000210961_100000210414 [0,0,0,0,0,0|2,0,2]=4 666 B10R0.74 CCOCCCNC(=O)CC 1626a_100000210961_100000210414 [0,0,0,0,0,0|2,0,2]=4 667 B10R0.74 CCOCCCNC(=O)CC 240690a_100000210961_100000210414 [0,0,0,0,0,0|2,0,2]=4 668 B10R0.74 CCOCCCNC(=O)CC 527a_100000210961_100000210414 [0,0,0,0,0,0|2,0,2]=4 669 B10R0.74 CCOCCCNC(C)CC 2230a_100000209981_100012232248 [0,0,0,0,0,0|3,0,0]=3 670 B10R0.74 CCOCCCNC(C)CC 2230a_100000210961_100000758301 [0,0,0,0,0,0|3,0,0]=3 671 B10R0.74 CCOCCCNC(C)CC 34a_100000210961_100011215416 [0,0,0,0,0,0|3,0,0]=3 672 B10R0.74 CCOCCCNC(C)CO 2230a_100000210961_100012180447 [0,0,0,0,0,0|4,0,0]=4 673 B10R0.74 CCOCCCNC(C)CO 34a_100000210961_100012180447 [0,0,0,0,0,0|4,0,0]=4 674 B10R0.74 CCOCCCN[C@H](C)CO 2230a_100000737577_100012232248 [0,0,0,0,0,0|4,0,0]=4 675 B10R0.74 CCOCCCOC(C)CC 34a_100000757476_100011215416 [0,0,0,0,0,0|3,0,0]=3 676 B10R0.74 CCOCCCOC(C)CC 7a_100000210228_100012232248 [0,0,0,0,0,0|3,0,0]=3 677 B10R0.74 CCOCCCOC(C)CC 7a_100000757476_100000758301 [0,0,0,0,0,0|3,0,0]=3 678 B10R0.74 CCOCCCOC(C)CF 34a_100016041109_100012232248 [0,0,0,0,0,0|4,0,0]=4 679 B10R0.74 CCOCCCOC(C)CF 7a_100016041109_100012232248 [0,0,0,0,0,0|4,0,0]=4 680 B10R0.74 CCOCCCOC(C)CN 34a_100000210904_100012232248 [0,0,0,0,0,0|4,0,0]=4 681 B10R0.74 CCOCCCOC(C)CO 34a_100000757476_100012180447 [0,0,0,0,0,0|4,0,0]=4 682 B10R0.74 CCOCCCOC(C)CO 7a_100000757476_100012180447 [0,0,0,0,0,0|4,0,0]=4 683 B10R0.74 CCOCCCSC(C)CC 62a_100000758301_100012232248 [0,0,0,0,0,0|3,0,0]=3 684 B10R0.74 CCOCCCSC(C)CC 62a_100012232248_100000758301 [0,0,0,0,0,0|3,0,0]=3 685 B10R0.74 CCOCCCSC(C)CO 62a_100012180447_100012232248 [0,0,0,0,0,0|4,0,0]=4 686 B10R0.74 CCOCCCSC(C)OC 62a_100009879195_100012232248 [0,0,0,0,0,0|4,0,0]=4 687 B10R0.74 CCOCCCSC(C)OC 62a_100012232248_100009879195 [0,0,0,0,0,0|4,0,0]=4 688 B10R0.74 CCOCCCS[C@H](C)CO 62a_100012232248_100016084084 [0,0,0,0,0,0|4,0,0]=4 689 B10R0.74 CCOCCCS[C@H](C)CO 62a_100016084084_100012232248 [0,0,0,0,0,0|4,0,0]=4 690 B10R0.74 CCOCCNCC(C)CC 2230a_100020588543_100011215890 [0,0,0,0,0,0|3,0,0]=3 691 B10R0.74 CCOCCNCC(C)CC 2230a_102516460346_100000748023 [0,0,0,0,0,0|3,0,0]=3 692 B10R0.74 CCOCCNCC(C)CC 270004a_102516460346_100000243153 [0,0,0,0,0,0|3,0,0]=3 693 B10R0.74 CCOCCNCC(C)CC 34a_102516460346_100000748023 [0,0,0,0,0,0|3,0,0]=3 694 B10R0.74 CCOCCNCC(C)CO 34a_100000744482_100000210147 [0,0,0,0,0,0|4,0,0]=4 695 B10R0.74 CCOCCNCC(O)CC 2230a_100011218483_100011215890 [0,0,0,0,0,0|2,0,0]=2 696 B10R0.74 CCOCCNCC(O)CC 2230a_102516460346_100011218378 [0,0,0,0,0,0|2,0,0]=2 697 B10R0.74 CCOCCNCC(O)CC 34a_102516460346_100011218378 [0,0,0,0,0,0|2,0,0]=2 698 B10R0.74 CCOCCNCC(O)CO 2230a_102516460346_100011219619 [0,0,0,0,0,0|3,0,0]=3 699 B10R0.74 CCOCCNCC(O)CO 34a_102516460346_100011219619 [0,0,0,0,0,0|3,0,0]=3 700 B10R0.74 CCOCCNC[C@@H](C)CC 2230a_102516460346_100009816398 [0,0,0,0,0,0|3,0,0]=3 701 B10R0.74 CCOCCNC[C@@H](C)CC 34a_102516460346_100009816398 [0,0,0,0,0,0|3,0,0]=3 702 B10R0.74 CCOCCNC[C@@H](C)CO 2230a_102516460346_100000059175 [0,0,0,0,0,0|4,0,0]=4 703 B10R0.74 CCOCCNC[C@@H](C)CO 34a_102516460346_100000059175 [0,0,0,0,0,0|4,0,0]=4 704 B10R0.74 CCOCCNC[C@@H](C)OC 2230a_100020591295_100011215890 [0,0,0,0,0,0|4,0,0]=4 705 B10R0.74 CCOCCNC[C@@H](F)CO 34a_100015665980_100000210147 [0,0,0,0,0,0|4,0,0]=4 706 B10R0.74 CCOCCNC[C@@H](O)CF 2230a_102516460346_100015614560 [0,0,0,0,0,0|3,0,0]=3 707 B10R0.74 CCOCCNC[C@@H](O)CF 34a_102516460346_100015614560 [0,0,0,0,0,0|3,0,0]=3 708 B10R0.74 CCOCCNC[C@@H](O)CO 2230a_102516460346_100009815848 [0,0,0,0,0,0|3,0,0]=3 709 B10R0.74 CCOCCNC[C@@H](O)CO 34a_102516460346_100009815848 [0,0,0,0,0,0|3,0,0]=3 710 B10R0.74 CCOCCNC[C@H](O)CO 2230a_100020644852_100011215890 [0,0,0,0,0,0|3,0,0]=3 711 B10R0.74 CCOCCOCC(=O)CC 34a_100000725409_100000210147 [0,0,0,0,0,0|2,0,2]=4 712 B10R0.74 CCOCCOCC(=O)CC 7a_100000210136_100000747405 [0,0,0,0,0,0|2,0,2]=4 713 B10R0.74 CCOCCOCC(C)CC 34a_100000210136_100000748023 [0,0,0,0,0,0|3,0,0]=3 714 B10R0.74 CCOCCOCC(C)CC 7a_100000210136_100000748023 [0,0,0,0,0,0|3,0,0]=3 715 B10R0.74 CCOCCOCC(C)CN 34a_100000744482_100000210147 [0,0,0,0,0,0|4,0,0]=4 716 B10R0.74 CCOCCOCC(C)OC 34a_100000690652_100000210147 [0,0,0,0,0,0|4,0,0]=4 717 B10R0.74 CCOCCOCC(Cl)CCl 34a_100000033668_100000210147 [0,0,0,0,0,0|4,0,0]=4 718 B10R0.74 CCOCCOCC(O)CC 34a_100000210136_100011218378 [0,0,0,0,0,0|2,0,0]=2 719 B10R0.74 CCOCCOCC(O)CC 7a_100000210136_100011218378 [0,0,0,0,0,0|2,0,0]=2 720 B10R0.74 CCOCCOCC(O)CO 34a_100000210136_100011219619 [0,0,0,0,0,0|3,0,0]=3 721 B10R0.74 CCOCCOCC(O)CO 7a_100000210136_100011219619 [0,0,0,0,0,0|3,0,0]=3 722 B10R0.74 CCOCCOC[C@@H](C)CC 34a_100000210136_100009816398 [0,0,0,0,0,0|3,0,0]=3 723 B10R0.74 CCOCCOC[C@@H](C)CC 7a_100000210136_100009816398 [0,0,0,0,0,0|3,0,0]=3 724 B10R0.74 CCOCCOC[C@@H](C)CC 7a_100009816381_100011215890 [0,0,0,0,0,0|3,0,0]=3 725 B10R0.74 CCOCCOC[C@@H](C)CO 34a_100000210136_100000059175 [0,0,0,0,0,0|4,0,0]=4 726 B10R0.74 CCOCCOC[C@@H](C)CO 7a_100000210136_100000059175 [0,0,0,0,0,0|4,0,0]=4 727 B10R0.74 CCOCCOC[C@@H](O)CF 34a_100000210136_100015614560 [0,0,0,0,0,0|3,0,0]=3 728 B10R0.74 CCOCCOC[C@@H](O)CF 7a_100000210136_100015614560 [0,0,0,0,0,0|3,0,0]=3 729 B10R0.74 CCOCCOC[C@@H](O)CO 34a_100000210136_100009815848 [0,0,0,0,0,0|3,0,0]=3 730 B10R0.74 CCOCCOC[C@@H](O)CO 7a_100000210136_100009815848 [0,0,0,0,0,0|3,0,0]=3 731 B10R0.74 CCOCCOC[C@H](F)CN 34a_100015665980_100000210147 [0,0,0,0,0,0|4,0,0]=4 732 B10R0.74 CCOCCSCC(=O)CC 62a_100000210147_100000747405 [0,0,0,0,0,0|2,0,2]=4 733 B10R0.74 CCOCCSCC(=O)CC 62a_100000747405_100011215890 [0,0,0,0,0,0|2,0,2]=4 734 B10R0.74 CCOCCSCC(C)CC 62a_100000210147_100000748023 [0,0,0,0,0,0|3,0,0]=3 735 B10R0.74 CCOCCSCC(C)CC 62a_100000748023_100011215890 [0,0,0,0,0,0|3,0,0]=3 736 B10R0.74 CCOCCSCC(O)CC 62a_100000210147_100011218378 [0,0,0,0,0,0|2,0,0]=2 737 B10R0.74 CCOCCSCC(O)CC 62a_100011218378_100011215890 [0,0,0,0,0,0|2,0,0]=2 738 B10R0.74 CCOCCSCC(O)CO 62a_100000210147_100011219619 [0,0,0,0,0,0|3,0,0]=3 739 B10R0.74 CCOCCSCC(O)CO 62a_100011219619_100011215890 [0,0,0,0,0,0|3,0,0]=3 740 B10R0.74 CCOCCSC[C@@H](C)CC 62a_100000210147_100009816398 [0,0,0,0,0,0|3,0,0]=3 741 B10R0.74 CCOCCSC[C@@H](C)CC 62a_100009816398_100011215890 [0,0,0,0,0,0|3,0,0]=3 742 B10R0.74 CCOCCSC[C@@H](C)CO 62a_100000059175_100011215890 [0,0,0,0,0,0|4,0,0]=4 743 B10R0.74 CCOCCSC[C@@H](C)CO 62a_100000210147_100000059175 [0,0,0,0,0,0|4,0,0]=4 744 B10R0.74 CCOCCSC[C@@H](O)CF 62a_100000210147_100015614560 [0,0,0,0,0,0|3,0,0]=3 745 B10R0.74 CCOCCSC[C@@H](O)CF 62a_100015614560_100011215890 [0,0,0,0,0,0|3,0,0]=3 746 B10R0.74 CCOCCSC[C@@H](O)CO 62a_100000210147_100009815848 [0,0,0,0,0,0|3,0,0]=3 747 B10R0.74 CCOCCSC[C@@H](O)CO 62a_100009815848_100011215890 [0,0,0,0,0,0|3,0,0]=3 748 B10R0.74 CCSCCCCC(=O)OC 62a_100000204269_100000210202 [0,0,0,0,0,0|2,0,2]=4 749 B10R0.74 CCSCCCCC(=O)OC 62a_100000210202_100000204269 [0,0,0,0,0,0|2,0,2]=4 750 B10R0.74 CCSCCCOC(C)CC 34a_100011216438_100011215416 [0,0,0,0,0,0|3,0,0]=3 751 B10R0.74 CCSCCCOC(C)CC 7a_100011216438_100000758301 [0,0,0,0,0,0|3,0,0]=3 752 B10R0.74 CCSCCCOC(C)CO 34a_100011216438_100012180447 [0,0,0,0,0,0|4,0,0]=4 753 B10R0.74 CCSCCCOC(C)CO 7a_100011216438_100012180447 [0,0,0,0,0,0|4,0,0]=4 754 B10R0.74 CCSCCNCC(C)CC 2230a_100000106463_100000748023 [0,0,0,0,0,0|3,0,0]=3 755 B10R0.74 CCSCCNCC(C)CC 2230a_100020588543_100000757381 [0,0,0,0,0,0|3,0,0]=3 756 B10R0.74 CCSCCNCC(C)CC 270004a_100000106463_100000243153 [0,0,0,0,0,0|3,0,0]=3 757 B10R0.74 CCSCCNCC(C)CO 34a_100000744482_100000757381 [0,0,0,0,0,0|4,0,0]=4 758 B10R0.74 CCSCCNCC(O)CC 2230a_100000106463_100011218378 [0,0,0,0,0,0|2,0,0]=2 759 B10R0.74 CCSCCNCC(O)CC 2230a_100011218483_100000757381 [0,0,0,0,0,0|2,0,0]=2 760 B10R0.74 CCSCCNCC(O)CO 2230a_100000106463_100011219619 [0,0,0,0,0,0|3,0,0]=3 761 B10R0.74 CCSCCNC[C@@H](C)CC 2230a_100000106463_100009816398 [0,0,0,0,0,0|3,0,0]=3 762 B10R0.74 CCSCCNC[C@@H](C)CO 2230a_100000106463_100000059175 [0,0,0,0,0,0|4,0,0]=4 763 B10R0.74 CCSCCNC[C@@H](C)OC 2230a_100020591295_100000757381 [0,0,0,0,0,0|4,0,0]=4 764 B10R0.74 CCSCCNC[C@@H](F)CO 34a_100015665980_100000757381 [0,0,0,0,0,0|4,0,0]=4 765 B10R0.74 CCSCCNC[C@@H](O)CF 2230a_100000106463_100015614560 [0,0,0,0,0,0|3,0,0]=3 766 B10R0.74 CCSCCNC[C@@H](O)CO 2230a_100000106463_100009815848 [0,0,0,0,0,0|3,0,0]=3 767 B10R0.74 CCSCCNC[C@H](O)CO 2230a_100020644852_100000757381 [0,0,0,0,0,0|3,0,0]=3 768 B10R0.74 CCSCCOCC(=O)CC 34a_100000725409_100000757381 [0,0,0,0,0,0|2,0,2]=4 769 B10R0.74 CCSCCOCC(=O)CC 7a_100000212035_100000747405 [0,0,0,0,0,0|2,0,2]=4 770 B10R0.74 CCSCCOCC(C)CC 34a_100000212035_100000748023 [0,0,0,0,0,0|3,0,0]=3 771 B10R0.74 CCSCCOCC(C)CC 7a_100000212035_100000748023 [0,0,0,0,0,0|3,0,0]=3 772 B10R0.74 CCSCCOCC(C)CN 34a_100000744482_100000757381 [0,0,0,0,0,0|4,0,0]=4 773 B10R0.74 CCSCCOCC(C)OC 34a_100000690652_100000757381 [0,0,0,0,0,0|4,0,0]=4 774 B10R0.74 CCSCCOCC(Cl)CCl 34a_100000033668_100000757381 [0,0,0,0,0,0|4,0,0]=4 775 B10R0.74 CCSCCOCC(O)CC 34a_100000212035_100011218378 [0,0,0,0,0,0|2,0,0]=2 776 B10R0.74 CCSCCOCC(O)CC 7a_100000212035_100011218378 [0,0,0,0,0,0|2,0,0]=2 777 B10R0.74 CCSCCOCC(O)CO 34a_100000212035_100011219619 [0,0,0,0,0,0|3,0,0]=3 778 B10R0.74 CCSCCOCC(O)CO 7a_100000212035_100011219619 [0,0,0,0,0,0|3,0,0]=3 779 B10R0.74 CCSCCOC[C@@H](C)CC 34a_100000212035_100009816398 [0,0,0,0,0,0|3,0,0]=3 780 B10R0.74 CCSCCOC[C@@H](C)CC 7a_100000212035_100009816398 [0,0,0,0,0,0|3,0,0]=3 781 B10R0.74 CCSCCOC[C@@H](C)CC 7a_100009816381_100000757381 [0,0,0,0,0,0|3,0,0]=3 782 B10R0.74 CCSCCOC[C@@H](C)CO 34a_100000212035_100000059175 [0,0,0,0,0,0|4,0,0]=4 783 B10R0.74 CCSCCOC[C@@H](C)CO 7a_100000212035_100000059175 [0,0,0,0,0,0|4,0,0]=4 784 B10R0.74 CCSCCOC[C@@H](O)CF 34a_100000212035_100015614560 [0,0,0,0,0,0|3,0,0]=3 785 B10R0.74 CCSCCOC[C@@H](O)CF 7a_100000212035_100015614560 [0,0,0,0,0,0|3,0,0]=3 786 B10R0.74 CCSCCOC[C@@H](O)CO 34a_100000212035_100009815848 [0,0,0,0,0,0|3,0,0]=3 787 B10R0.74 CCSCCOC[C@@H](O)CO 7a_100000212035_100009815848 [0,0,0,0,0,0|3,0,0]=3 788 B10R0.74 CCSCCOC[C@H](F)CN 34a_100015665980_100000757381 [0,0,0,0,0,0|4,0,0]=4 789 B10R0.74 CCSCCSCC(=O)CC 62a_100000747405_100000757381 [0,0,0,0,0,0|2,0,2]=4 790 B10R0.74 CCSCCSCC(=O)CC 62a_100000757381_100000747405 [0,0,0,0,0,0|2,0,2]=4 791 B10R0.74 CCSCCSCC(C)CC 62a_100000748023_100000757381 [0,0,0,0,0,0|3,0,0]=3 792 B10R0.74 CCSCCSCC(C)CC 62a_100000757381_100000748023 [0,0,0,0,0,0|3,0,0]=3 793 B10R0.74 CCSCCSCC(O)CC 62a_100000757381_100011218378 [0,0,0,0,0,0|2,0,0]=2 794 B10R0.74 CCSCCSCC(O)CC 62a_100011218378_100000757381 [0,0,0,0,0,0|2,0,0]=2 795 B10R0.74 CCSCCSCC(O)CO 62a_100000757381_100011219619 [0,0,0,0,0,0|3,0,0]=3 796 B10R0.74 CCSCCSCC(O)CO 62a_100011219619_100000757381 [0,0,0,0,0,0|3,0,0]=3 797 B10R0.74 CCSCCSC[C@@H](C)CC 62a_100000757381_100009816398 [0,0,0,0,0,0|3,0,0]=3 798 B10R0.74 CCSCCSC[C@@H](C)CC 62a_100009816398_100000757381 [0,0,0,0,0,0|3,0,0]=3 799 B10R0.74 CCSCCSC[C@@H](C)CO 62a_100000059175_100000757381 [0,0,0,0,0,0|4,0,0]=4 800 B10R0.74 CCSCCSC[C@@H](C)CO 62a_100000757381_100000059175 [0,0,0,0,0,0|4,0,0]=4 801 B10R0.74 CCSCCSC[C@@H](O)CF 62a_100000757381_100015614560 [0,0,0,0,0,0|3,0,0]=3 802 B10R0.74 CCSCCSC[C@@H](O)CF 62a_100015614560_100000757381 [0,0,0,0,0,0|3,0,0]=3 803 B10R0.74 CCSCCSC[C@@H](O)CO 62a_100000757381_100009815848 [0,0,0,0,0,0|3,0,0]=3 804 B10R0.74 CCSCCSC[C@@H](O)CO 62a_100009815848_100000757381 [0,0,0,0,0,0|3,0,0]=3 805 B10R0.74 CC[C@H](C)CNCCCCO 2230a_100000750430_100009816398 [0,0,0,0,0,0|3,0,0]=3 806 B10R0.74 CC[C@H](C)CNCCCCO 34a_100000750430_100009816398 [0,0,0,0,0,0|3,0,0]=3 807 B10R0.74 CC[C@H](C)CNCCCOC 34a_100150723488_100009816398 [0,0,0,0,0,0|3,0,0]=3 808 B10R0.74 CC[C@H](C)CNCCCSC 2230a_100000749238_100009816398 [0,0,0,0,0,0|3,0,0]=3 809 B10R0.74 CC[C@H](C)COCCCC#N 7a_100009816381_100000687738 [0,0,0,0,0,0|3,0,1]=4 810 B10R0.74 CC[C@H](C)COCCCC=O 7a_100009816381_200011292268 [0,0,0,0,0,0|3,0,1]=4 811 B10R0.74 CC[C@H](C)COCCCCBr 34a_100011216708_100009816398 [0,0,0,0,0,0|3,0,0]=3 812 B10R0.74 CC[C@H](C)COCCCCCl 34a_100000210776_100009816398 [0,0,0,0,0,0|3,0,0]=3 813 B10R0.74 CC[C@H](C)COCCCCCl 7a_100000210776_100009816398 [0,0,0,0,0,0|3,0,0]=3 814 B10R0.74 CC[C@H](C)COCCCCF 34a_100011995726_100009816398 [0,0,0,0,0,0|3,0,0]=3 815 B10R0.74 CC[C@H](C)COCCCCF 7a_100009816381_100000729493 [0,0,0,0,0,0|3,0,0]=3 816 B10R0.74 CC[C@H](C)COCCCCF 7a_100011995726_100009816398 [0,0,0,0,0,0|3,0,0]=3 817 B10R0.74 CC[C@H](C)COCCCCI 34a_200012148704_100009816398 [0,0,0,0,0,0|3,0,0]=3 818 B10R0.74 CC[C@H](C)COCCCCN 34a_100000750430_100009816398 [0,0,0,0,0,0|3,0,0]=3 819 B10R0.74 CC[C@H](C)COCCCCO 7a_100009816381_100000210776 [0,0,0,0,0,0|3,0,0]=3 820 B10R0.74 CC[C@H](C)COCCCNC 34a_100000213112_100009816398 [0,0,0,0,0,0|3,0,0]=3 821 B10R0.74 CC[C@H](C)COCCCOC 34a_100000740835_100009816398 [0,0,0,0,0,0|3,0,0]=3 822 B10R0.74 CC[C@H](C)COCCCOC 7a_100009816381_100000740836 [0,0,0,0,0,0|3,0,0]=3 823 B10R0.74 CC[C@H](C)COCCCSC 34a_100000690336_100009816398 [0,0,0,0,0,0|3,0,0]=3 824 B10R0.74 CC[C@H](C)COCCCSC 7a_100000690336_100009816398 [0,0,0,0,0,0|3,0,0]=3 825 B10R0.74 CC[C@H](C)CSCCCC#N 62a_100000687738_100009816398 [0,0,0,0,0,0|3,0,1]=4 826 B10R0.74 CC[C@H](C)CSCCCC#N 62a_100009816398_100000687738 [0,0,0,0,0,0|3,0,1]=4 827 B10R0.74 CC[C@H](C)CSCCCC=O 62a_100009816398_200011292268 [0,0,0,0,0,0|3,0,1]=4 828 B10R0.74 CC[C@H](C)CSCCCC=O 62a_200011292268_100009816398 [0,0,0,0,0,0|3,0,1]=4 829 B10R0.74 CC[C@H](C)CSCCCCF 62a_100000729493_100009816398 [0,0,0,0,0,0|3,0,0]=3 830 B10R0.74 CC[C@H](C)CSCCCCF 62a_100009816398_100000729493 [0,0,0,0,0,0|3,0,0]=3 831 B10R0.74 CC[C@H](C)CSCCCCO 62a_100000210776_100009816398 [0,0,0,0,0,0|3,0,0]=3 832 B10R0.74 CC[C@H](C)CSCCCCO 62a_100009816398_100000210776 [0,0,0,0,0,0|3,0,0]=3 833 B10R0.74 CC[C@H](C)CSCCCOC 62a_100000709357_100009816398 [0,0,0,0,0,0|3,0,0]=3 834 B10R0.74 CC[C@H](C)CSCCCOC 62a_100009816398_100000709357 [0,0,0,0,0,0|3,0,0]=3 835 B10R0.74 CNC(=O)CCCCCCO 240690a_100102657272_100011996774 [0,0,0,0,0,0|2,0,2]=4 836 B10R0.74 CNC(=O)CCCCCOC 11a_106832991635_100011935119 [0,0,0,0,0,0|2,0,2]=4 837 B10R0.74 CNC(=O)CCCCCOC 1626a_100102657272_100011935119 [0,0,0,0,0,0|2,0,2]=4 838 B10R0.74 CNC(=O)CCCCCOC 240690a_100102657272_100011935119 [0,0,0,0,0,0|2,0,2]=4 839 B10R0.74 CNC(=O)CCCCCOC 527a_100102657272_100011935119 [0,0,0,0,0,0|2,0,2]=4 840 B10R0.74 CNCCCCCC(=O)OC 2230a_106832991635_100009816466 [0,0,0,0,0,0|2,0,2]=4 841 B10R0.74 CNCCCCCC(=O)OC 34a_100102657272_100009816466 [0,0,0,0,0,0|2,0,2]=4 842 B10R0.74 CNCCCCCC(=O)OC 7a_106832991635_100009816466 [0,0,0,0,0,0|2,0,2]=4 843 B10R0.74 CNCCCOCC(O)CO 34a_100000213112_100011219619 [0,0,0,0,0,0|3,0,0]=3 844 B10R0.74 CNCCCOC[C@@H](C)CO 34a_100000213112_100000059175 [0,0,0,0,0,0|4,0,0]=4 845 B10R0.74 CNCCCOC[C@@H](O)CF 34a_100000213112_100015614560 [0,0,0,0,0,0|3,0,0]=3 846 B10R0.74 CNCCCOC[C@@H](O)CO 34a_100000213112_100009815848 [0,0,0,0,0,0|3,0,0]=3 847 B10R0.74 COC(=O)CCCCCO[13CH3] 34a_100000074720_200025704644 [0,0,0,0,0,0|2,0,2]=4 848 B10R0.74 COC(=O)CCCCCO[13CH3] 7a_100000074720_200025704644 [0,0,0,0,0,0|2,0,2]=4 849 B10R0.74 COC(=O)CCCCCSC 62a_100009816466_200000210301 [0,0,0,0,0,0|2,0,2]=4 850 B10R0.74 COC(=O)CCCCCSC 62a_200000210301_100009816466 [0,0,0,0,0,0|2,0,2]=4 851 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_100009816466_200025704644 [0,0,0,0,0,0|2,0,2]=4 852 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_200025704644_100009816466 [0,0,0,0,0,0|2,0,2]=4 853 B10R0.74 COC(C)CCOCCCF 7a_100000764861_100011934791 [0,0,0,0,0,0|4,0,0]=4 854 B10R0.74 COC(C)CCOCCCO 7a_100000764861_100011215043 [0,0,0,0,0,0|4,0,0]=4 855 B10R0.74 COC(C)CCOCCSC 7a_100000764861_100000212216 [0,0,0,0,0,0|4,0,0]=4 856 B10R0.74 COC(C)COCCCCF 34a_100000690652_100000729493 [0,0,0,0,0,0|4,0,0]=4 857 B10R0.74 COC(C)COCCCCO 34a_100000690652_100011216708 [0,0,0,0,0,0|4,0,0]=4 858 B10R0.74 COC(C)SCCCCCF 62a_100000729378_100009879195 [0,0,0,0,0,0|4,0,0]=4 859 B10R0.74 COC(C)SCCCCCF 62a_100009879195_100000729378 [0,0,0,0,0,0|4,0,0]=4 860 B10R0.74 COC(C)SCCCCCO 62a_100000746330_100009879195 [0,0,0,0,0,0|4,0,0]=4 861 B10R0.74 COC(C)SCCCCCO 62a_100009879195_100000746330 [0,0,0,0,0,0|4,0,0]=4 862 B10R0.74 COCCCCCC(=O)CF 1458a_100011935119_100015361967 [0,0,0,0,0,0|2,0,2]=4 863 B10R0.74 COCCCCCC(=O)OC 34a_100000074720_200000210301 [0,0,0,0,0,0|2,0,2]=4 864 B10R0.74 COCCCCCC(=O)OC 34a_100138415774_100009816466 [0,0,0,0,0,0|2,0,2]=4 865 B10R0.74 COCCCCCC(=O)OC 7a_100000074720_200000210301 [0,0,0,0,0,0|2,0,2]=4 866 B10R0.74 COCCCCN[C@H](C)CO 2230a_100000737577_100000730899 [0,0,0,0,0,0|4,0,0]=4 867 B10R0.74 COCCCCOC(C)CF 34a_100016041109_100000755781 [0,0,0,0,0,0|4,0,0]=4 868 B10R0.74 COCCCCOC(C)CF 7a_100016041109_100000730899 [0,0,0,0,0,0|4,0,0]=4 869 B10R0.74 COCCCCOC(C)CN 34a_100000210904_100000755781 [0,0,0,0,0,0|4,0,0]=4 870 B10R0.74 COCCCCOC(C)CO 34a_100000740925_100012180447 [0,0,0,0,0,0|4,0,0]=4 871 B10R0.74 COCCCCSC(C)CO 62a_100012180447_100000730899 [0,0,0,0,0,0|4,0,0]=4 872 B10R0.74 COCCCCSC(C)OC 62a_100000730899_100009879195 [0,0,0,0,0,0|4,0,0]=4 873 B10R0.74 COCCCCSC(C)OC 62a_100009879195_100000730899 [0,0,0,0,0,0|4,0,0]=4 874 B10R0.74 COCCCCS[C@H](C)CO 62a_100000730899_100016084084 [0,0,0,0,0,0|4,0,0]=4 875 B10R0.74 COCCCCS[C@H](C)CO 62a_100016084084_100000730899 [0,0,0,0,0,0|4,0,0]=4 876 B10R0.74 COCCCNCC(C)CO 34a_100000744482_100000740836 [0,0,0,0,0,0|4,0,0]=4 877 B10R0.74 COCCCNCC(O)CO 34a_100150723488_100011219619 [0,0,0,0,0,0|3,0,0]=3 878 B10R0.74 COCCCNC[C@@H](C)CO 34a_100150723488_100000059175 [0,0,0,0,0,0|4,0,0]=4 879 B10R0.74 COCCCNC[C@@H](C)OC 2230a_100020591295_100000740836 [0,0,0,0,0,0|4,0,0]=4 880 B10R0.74 COCCCNC[C@@H](F)CO 34a_100015665980_100000740836 [0,0,0,0,0,0|4,0,0]=4 881 B10R0.74 COCCCNC[C@@H](O)CF 34a_100150723488_100015614560 [0,0,0,0,0,0|3,0,0]=3 882 B10R0.74 COCCCNC[C@@H](O)CO 34a_100150723488_100009815848 [0,0,0,0,0,0|3,0,0]=3 883 B10R0.74 COCCCNC[C@H](O)CO 2230a_100020644852_100000740836 [0,0,0,0,0,0|3,0,0]=3 884 B10R0.74 COCCCOCC(C)CN 34a_100000744482_100000740836 [0,0,0,0,0,0|4,0,0]=4 885 B10R0.74 COCCCOCC(C)OC 34a_100000690652_100000740836 [0,0,0,0,0,0|4,0,0]=4 886 B10R0.74 COCCCOCC(Cl)CCl 34a_100000033668_100000740836 [0,0,0,0,0,0|4,0,0]=4 887 B10R0.74 COCCCOCC(O)CO 34a_100000740835_100011219619 [0,0,0,0,0,0|3,0,0]=3 888 B10R0.74 COCCCOC[C@@H](C)CO 34a_100000740835_100000059175 [0,0,0,0,0,0|4,0,0]=4 889 B10R0.74 COCCCOC[C@@H](O)CF 34a_100000740835_100015614560 [0,0,0,0,0,0|3,0,0]=3 890 B10R0.74 COCCCOC[C@@H](O)CO 34a_100000740835_100009815848 [0,0,0,0,0,0|3,0,0]=3 891 B10R0.74 COCCCOC[C@H](F)CN 34a_100015665980_100000740836 [0,0,0,0,0,0|4,0,0]=4 892 B10R0.74 COCCCSCC(O)CO 62a_100000709357_100011219619 [0,0,0,0,0,0|3,0,0]=3 893 B10R0.74 COCCCSCC(O)CO 62a_100011219619_100000709357 [0,0,0,0,0,0|3,0,0]=3 894 B10R0.74 COCCCSC[C@@H](C)CO 62a_100000059175_100000709357 [0,0,0,0,0,0|4,0,0]=4 895 B10R0.74 COCCCSC[C@@H](C)CO 62a_100000709357_100000059175 [0,0,0,0,0,0|4,0,0]=4 896 B10R0.74 COCCCSC[C@@H](O)CF 62a_100000709357_100015614560 [0,0,0,0,0,0|3,0,0]=3 897 B10R0.74 COCCCSC[C@@H](O)CF 62a_100015614560_100000709357 [0,0,0,0,0,0|3,0,0]=3 898 B10R0.74 COCCCSC[C@@H](O)CO 62a_100000709357_100009815848 [0,0,0,0,0,0|3,0,0]=3 899 B10R0.74 COCCCSC[C@@H](O)CO 62a_100009815848_100000709357 [0,0,0,0,0,0|3,0,0]=3 900 B10R0.74 COCCNCCC(C)CO 2230a_106354213184_100011201679 [0,0,0,0,0,0|4,0,0]=4 901 B10R0.74 COCCNCCC(C)CO 34a_106354213184_100011201679 [0,0,0,0,0,0|4,0,0]=4 902 B10R0.74 COCCOCCC(C)OC 7a_100000764861_100000233755 [0,0,0,0,0,0|4,0,0]=4 903 B10R0.74 CO[C@H](C)CNCCCCF 2230a_100020591295_100000729493 [0,0,0,0,0,0|4,0,0]=4 904 B10R0.74 CO[C@H](C)CNCCCCO 2230a_100020591295_100000210776 [0,0,0,0,0,0|4,0,0]=4 905 B10R0.74 CSCCCCOC(C)CO 34a_100011217163_100012180447 [0,0,0,0,0,0|4,0,0]=4 906 B10R0.74 CSCCCCOC(C)CO 7a_100011217163_100012180447 [0,0,0,0,0,0|4,0,0]=4 907 B10R0.74 CSCCCNCC(O)CO 2230a_100000749238_100011219619 [0,0,0,0,0,0|3,0,0]=3 908 B10R0.74 CSCCCNC[C@@H](C)CO 2230a_100000749238_100000059175 [0,0,0,0,0,0|4,0,0]=4 909 B10R0.74 CSCCCNC[C@@H](O)CF 2230a_100000749238_100015614560 [0,0,0,0,0,0|3,0,0]=3 910 B10R0.74 CSCCCNC[C@@H](O)CO 2230a_100000749238_100009815848 [0,0,0,0,0,0|3,0,0]=3 911 B10R0.74 CSCCCOCC(O)CO 34a_100000690336_100011219619 [0,0,0,0,0,0|3,0,0]=3 912 B10R0.74 CSCCCOCC(O)CO 7a_100000690336_100011219619 [0,0,0,0,0,0|3,0,0]=3 913 B10R0.74 CSCCCOC[C@@H](C)CO 34a_100000690336_100000059175 [0,0,0,0,0,0|4,0,0]=4 914 B10R0.74 CSCCCOC[C@@H](C)CO 7a_100000690336_100000059175 [0,0,0,0,0,0|4,0,0]=4 915 B10R0.74 CSCCCOC[C@@H](O)CF 34a_100000690336_100015614560 [0,0,0,0,0,0|3,0,0]=3 916 B10R0.74 CSCCCOC[C@@H](O)CF 7a_100000690336_100015614560 [0,0,0,0,0,0|3,0,0]=3 917 B10R0.74 CSCCCOC[C@@H](O)CO 34a_100000690336_100009815848 [0,0,0,0,0,0|3,0,0]=3 918 B10R0.74 CSCCCOC[C@@H](O)CO 7a_100000690336_100009815848 [0,0,0,0,0,0|3,0,0]=3 919 B10R0.74 CSCCNCCC(C)CO 2230a_106354213184_100000751147 [0,0,0,0,0,0|4,0,0]=4 920 B10R0.74 CSCCNCCC(C)CO 34a_106354213184_100000212216 [0,0,0,0,0,0|4,0,0]=4 921 B10R0.74 CSCOCCC[C@@H](C)CN 34a_100160569302_100011218213 [0,0,0,0,0,0|4,0,0]=4 922 B10R0.74 C[C@@H](CN)CCCOCCF 34a_100160569302_100011217306 [0,0,0,0,0,0|4,0,0]=4 923 B10R0.74 C[C@@H](CN)CCCOCCO 34a_100160569302_100000211926 [0,0,0,0,0,0|4,0,0]=4 924 B10R0.74 C[C@@H](CO)CNCCCCO 2230a_100000750430_100000059175 [0,0,0,0,0,0|4,0,0]=4 925 B10R0.74 C[C@@H](CO)CNCCCCO 34a_100000750430_100000059175 [0,0,0,0,0,0|4,0,0]=4 926 B10R0.74 C[C@@H](CO)COCCCCBr 34a_100011216708_100000059175 [0,0,0,0,0,0|4,0,0]=4 927 B10R0.74 C[C@@H](CO)COCCCCCl 34a_100000210776_100000059175 [0,0,0,0,0,0|4,0,0]=4 928 B10R0.74 C[C@@H](CO)COCCCCCl 7a_100000210776_100000059175 [0,0,0,0,0,0|4,0,0]=4 929 B10R0.74 C[C@@H](CO)COCCCCF 34a_100011995726_100000059175 [0,0,0,0,0,0|4,0,0]=4 930 B10R0.74 C[C@@H](CO)COCCCCF 7a_100011995726_100000059175 [0,0,0,0,0,0|4,0,0]=4 931 B10R0.74 C[C@@H](CO)COCCCCI 34a_200012148704_100000059175 [0,0,0,0,0,0|4,0,0]=4 932 B10R0.74 C[C@@H](CO)COCCCCN 34a_100000750430_100000059175 [0,0,0,0,0,0|4,0,0]=4 933 B10R0.74 C[C@@H](CO)CSCCCCF 62a_100000059175_100000729493 [0,0,0,0,0,0|4,0,0]=4 934 B10R0.74 C[C@@H](CO)CSCCCCF 62a_100000729493_100000059175 [0,0,0,0,0,0|4,0,0]=4 935 B10R0.74 C[C@@H](CO)CSCCCCO 62a_100000059175_100000210776 [0,0,0,0,0,0|4,0,0]=4 936 B10R0.74 C[C@@H](CO)CSCCCCO 62a_100000210776_100000059175 [0,0,0,0,0,0|4,0,0]=4 937 B10R0.74 C[C@H](CO)NCCCCCF 2230a_100000737577_100000729378 [0,0,0,0,0,0|4,0,0]=4 938 B10R0.74 C[C@H](CO)NCCCCCO 2230a_100000737577_100000746330 [0,0,0,0,0,0|4,0,0]=4 939 B10R0.74 C[C@H](CO)SCCCCCF 62a_100000729378_100016084084 [0,0,0,0,0,0|4,0,0]=4 940 B10R0.74 C[C@H](CO)SCCCCCF 62a_100016084084_100000729378 [0,0,0,0,0,0|4,0,0]=4 941 B10R0.74 C[C@H](CO)SCCCCCO 62a_100000746330_100016084084 [0,0,0,0,0,0|4,0,0]=4 942 B10R0.74 C[C@H](CO)SCCCCCO 62a_100016084084_100000746330 [0,0,0,0,0,0|4,0,0]=4 943 B10R0.74 FCCCCOCC(Cl)CCl 34a_100000033668_100000729493 [0,0,0,0,0,0|4,0,0]=4 944 B10R0.74 N#CCCCNC[C@H](O)CO 2230a_100020644852_100000687738 [0,0,0,0,0,0|3,0,1]=4 945 B10R0.74 N#CCCCSCC(O)CO 62a_100000687738_100011219619 [0,0,0,0,0,0|3,0,1]=4 946 B10R0.74 N#CCCCSCC(O)CO 62a_100011219619_100000687738 [0,0,0,0,0,0|3,0,1]=4 947 B10R0.74 N#CCCCSC[C@@H](O)CF 62a_100000687738_100015614560 [0,0,0,0,0,0|3,0,1]=4 948 B10R0.74 N#CCCCSC[C@@H](O)CF 62a_100015614560_100000687738 [0,0,0,0,0,0|3,0,1]=4 949 B10R0.74 N#CCCCSC[C@@H](O)CO 62a_100000687738_100009815848 [0,0,0,0,0,0|3,0,1]=4 950 B10R0.74 N#CCCCSC[C@@H](O)CO 62a_100009815848_100000687738 [0,0,0,0,0,0|3,0,1]=4 951 B10R0.74 NCCCCOCC(O)CO 34a_100000750430_100011219619 [0,0,0,0,0,0|3,0,0]=3 952 B10R0.74 NCCCCOC[C@@H](O)CF 34a_100000750430_100015614560 [0,0,0,0,0,0|3,0,0]=3 953 B10R0.74 NCCCCOC[C@@H](O)CO 34a_100000750430_100009815848 [0,0,0,0,0,0|3,0,0]=3 954 B10R0.74 NC[C@@H](F)COCCCCF 34a_100015665980_100000729493 [0,0,0,0,0,0|4,0,0]=4 955 B10R0.74 NC[C@@H](F)COCCCCO 34a_100015665980_100011216708 [0,0,0,0,0,0|4,0,0]=4 956 B10R0.74 O=C(CF)CCCCCCO 1458a_100011996774_100015361967 [0,0,0,0,0,0|2,0,2]=4 957 B10R0.74 O=C(CO)CCCCCCF 1458a_100000210174_100015922095 [0,0,0,0,0,0|2,0,2]=4 958 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [0,0,0,0,0,0|2,0,2]=4 959 B10R0.74 O=CCCCNC[C@H](O)CO 2230a_100020644852_200011292268 [0,0,0,0,0,0|3,0,1]=4 960 B10R0.74 O=CCCCSCC(O)CO 62a_100011219619_200011292268 [0,0,0,0,0,0|3,0,1]=4 961 B10R0.74 O=CCCCSCC(O)CO 62a_200011292268_100011219619 [0,0,0,0,0,0|3,0,1]=4 962 B10R0.74 O=CCCCSC[C@@H](O)CF 62a_100015614560_200011292268 [0,0,0,0,0,0|3,0,1]=4 963 B10R0.74 O=CCCCSC[C@@H](O)CF 62a_200011292268_100015614560 [0,0,0,0,0,0|3,0,1]=4 964 B10R0.74 O=CCCCSC[C@@H](O)CO 62a_100009815848_200011292268 [0,0,0,0,0,0|3,0,1]=4 965 B10R0.74 O=CCCCSC[C@@H](O)CO 62a_200011292268_100009815848 [0,0,0,0,0,0|3,0,1]=4 966 B10R0.74 OCC(O)COCCCCBr 34a_100011216708_100011219619 [0,0,0,0,0,0|3,0,0]=3 967 B10R0.74 OCC(O)COCCCCCl 34a_100000210776_100011219619 [0,0,0,0,0,0|3,0,0]=3 968 B10R0.74 OCC(O)COCCCCCl 7a_100000210776_100011219619 [0,0,0,0,0,0|3,0,0]=3 969 B10R0.74 OCC(O)COCCCCF 34a_100011995726_100011219619 [0,0,0,0,0,0|3,0,0]=3 970 B10R0.74 OCC(O)COCCCCF 7a_100011995726_100011219619 [0,0,0,0,0,0|3,0,0]=3 971 B10R0.74 OCC(O)COCCCCI 34a_200012148704_100011219619 [0,0,0,0,0,0|3,0,0]=3 972 B10R0.74 OCC(O)CSCCCCF 62a_100000729493_100011219619 [0,0,0,0,0,0|3,0,0]=3 973 B10R0.74 OCC(O)CSCCCCF 62a_100011219619_100000729493 [0,0,0,0,0,0|3,0,0]=3 974 B10R0.74 OCCCCNCC(O)CO 2230a_100000750430_100011219619 [0,0,0,0,0,0|3,0,0]=3 975 B10R0.74 OCCCCNCC(O)CO 34a_100000750430_100011219619 [0,0,0,0,0,0|3,0,0]=3 976 B10R0.74 OCCCCNC[C@@H](F)CO 34a_100015665980_100011216708 [0,0,0,0,0,0|4,0,0]=4 977 B10R0.74 OCCCCNC[C@@H](O)CF 2230a_100000750430_100015614560 [0,0,0,0,0,0|3,0,0]=3 978 B10R0.74 OCCCCNC[C@@H](O)CF 34a_100000750430_100015614560 [0,0,0,0,0,0|3,0,0]=3 979 B10R0.74 OCCCCNC[C@@H](O)CO 2230a_100000750430_100009815848 [0,0,0,0,0,0|3,0,0]=3 980 B10R0.74 OCCCCNC[C@@H](O)CO 34a_100000750430_100009815848 [0,0,0,0,0,0|3,0,0]=3 981 B10R0.74 OCCCCNC[C@H](O)CO 2230a_100020644852_100000210776 [0,0,0,0,0,0|3,0,0]=3 982 B10R0.74 OCCCCOCC(Cl)CCl 34a_100000033668_100011216708 [0,0,0,0,0,0|4,0,0]=4 983 B10R0.74 OCCCCSCC(O)CO 62a_100000210776_100011219619 [0,0,0,0,0,0|3,0,0]=3 984 B10R0.74 OCCCCSCC(O)CO 62a_100011219619_100000210776 [0,0,0,0,0,0|3,0,0]=3 985 B10R0.74 OCCCCSC[C@@H](O)CF 62a_100000210776_100015614560 [0,0,0,0,0,0|3,0,0]=3 986 B10R0.74 OCCCCSC[C@@H](O)CF 62a_100015614560_100000210776 [0,0,0,0,0,0|3,0,0]=3 987 B10R0.74 OCCCCSC[C@@H](O)CO 62a_100000210776_100009815848 [0,0,0,0,0,0|3,0,0]=3 988 B10R0.74 OCCCCSC[C@@H](O)CO 62a_100009815848_100000210776 [0,0,0,0,0,0|3,0,0]=3 989 B10R0.74 OC[C@@H](O)CNCCCCF 2230a_100020644852_100000729493 [0,0,0,0,0,0|3,0,0]=3 990 B10R0.74 OC[C@H](F)CNCCCCF 34a_100015665980_100000729493 [0,0,0,0,0,0|4,0,0]=4 991 B10R0.74 OC[C@H](O)COCCCCBr 34a_100011216708_100009815848 [0,0,0,0,0,0|3,0,0]=3 992 B10R0.74 OC[C@H](O)COCCCCCl 34a_100000210776_100009815848 [0,0,0,0,0,0|3,0,0]=3 993 B10R0.74 OC[C@H](O)COCCCCCl 7a_100000210776_100009815848 [0,0,0,0,0,0|3,0,0]=3 994 B10R0.74 OC[C@H](O)COCCCCF 34a_100011995726_100009815848 [0,0,0,0,0,0|3,0,0]=3 995 B10R0.74 OC[C@H](O)COCCCCF 7a_100011995726_100009815848 [0,0,0,0,0,0|3,0,0]=3 996 B10R0.74 OC[C@H](O)COCCCCI 34a_200012148704_100009815848 [0,0,0,0,0,0|3,0,0]=3 997 B10R0.74 OC[C@H](O)CSCCCCF 62a_100000729493_100009815848 [0,0,0,0,0,0|3,0,0]=3 998 B10R0.74 OC[C@H](O)CSCCCCF 62a_100009815848_100000729493 [0,0,0,0,0,0|3,0,0]=3 999 B10R0.74 O[C@@H](CF)COCCCCBr 34a_100011216708_100015614560 [0,0,0,0,0,0|3,0,0]=3 1000 B10R0.74 O[C@@H](CF)COCCCCCl 34a_100000210776_100015614560 [0,0,0,0,0,0|3,0,0]=3 1001 B10R0.74 O[C@@H](CF)COCCCCCl 7a_100000210776_100015614560 [0,0,0,0,0,0|3,0,0]=3 1002 B10R0.74 O[C@@H](CF)COCCCCF 34a_100011995726_100015614560 [0,0,0,0,0,0|3,0,0]=3 1003 B10R0.74 O[C@@H](CF)COCCCCF 7a_100011995726_100015614560 [0,0,0,0,0,0|3,0,0]=3 1004 B10R0.74 O[C@@H](CF)COCCCCI 34a_200012148704_100015614560 [0,0,0,0,0,0|3,0,0]=3 1005 B10R0.74 O[C@@H](CF)CSCCCCF 62a_100000729493_100015614560 [0,0,0,0,0,0|3,0,0]=3 1006 B10R0.74 O[C@@H](CF)CSCCCCF 62a_100015614560_100000729493 [0,0,0,0,0,0|3,0,0]=3 1007 B9R0.2 C#CCCCNCC(C)O 2230a_100000210904_100000731252 [1,0,0,0,0,0|1,0,2]=4 1008 B9R0.2 C#CCCCNCC(C)O 34a_100000210904_100000695029 [1,0,0,0,0,0|1,0,2]=4 1009 B9R0.2 C#CCCCNCC(C)O 34a_100000718082_100011218427 [1,0,0,0,0,0|1,0,2]=4 1010 B9R0.2 C#CCCCNC[C@@H](C)O 34a_100000718082_100009817552 [1,0,0,0,0,0|1,0,2]=4 1011 B9R0.2 C#CCCCOCC(C)O 34a_100000215630_100011218427 [1,0,0,0,0,0|1,0,2]=4 1012 B9R0.2 C#CCCCOCC(C)O 7a_100000215630_100011218427 [1,0,0,0,0,0|1,0,2]=4 1013 B9R0.2 C#CCCCOC[C@@H](C)O 34a_100000215630_100009817552 [1,0,0,0,0,0|1,0,2]=4 1014 B9R0.2 C#CCCCOC[C@@H](C)O 7a_100000215630_100009817552 [1,0,0,0,0,0|1,0,2]=4 1015 B9R0.2 C#CCCCSCC(C)O 62a_100011215417_100011218427 [1,0,0,0,0,0|1,0,2]=4 1016 B9R0.2 C#CCCCSCC(C)O 62a_100011218427_100011215417 [1,0,0,0,0,0|1,0,2]=4 1017 B9R0.2 C#CCCCSC[C@@H](C)O 62a_100009817552_100011215417 [1,0,0,0,0,0|1,0,2]=4 1018 B9R0.2 C#CCCCSC[C@@H](C)O 62a_100011215417_100009817552 [1,0,0,0,0,0|1,0,2]=4 1019 B9R0.2 C#CCCNCCC(C)O 2230a_200000755665_100000688953 [1,0,0,0,0,0|1,0,2]=4 1020 B9R0.2 C#CCCNCCC(C)O 34a_100000755551_100012276601 [1,0,0,0,0,0|1,0,2]=4 1021 B9R0.2 C#CCCOCCC(C)O 34a_100011215631_100012276601 [1,0,0,0,0,0|1,0,2]=4 1022 B9R0.2 C#CCCSCCC(C)O 62a_100000688953_100012276601 [1,0,0,0,0,0|1,0,2]=4 1023 B9R0.2 C#CCCSCCC(C)O 62a_100012276601_100000688953 [1,0,0,0,0,0|1,0,2]=4 1024 B9R0.2 C#CCNCCCC(C)O 34a_100000212058_200000718107 [1,0,0,0,0,0|1,0,2]=4 1025 B9R0.2 C#CCOCCCC(C)O 34a_100000210247_200000718107 [1,0,0,0,0,0|1,0,2]=4 1026 B9R0.2 C#CCSCCCC(C)O 62a_100000038162_200000718107 [1,0,0,0,0,0|1,0,2]=4 1027 B9R0.2 C/C=C/CCOCC(C)O 34a_100016278192_100011218427 [1,0,0,0,0,0|1,0,2]=4 1028 B9R0.2 C/C=C/CCOC[C@@H](C)O 34a_100016278192_100009817552 [1,0,0,0,0,0|1,0,2]=4 1029 B9R0.2 C/C=C/COCCC(C)O 34a_100016270725_100012276601 [1,0,0,0,0,0|1,0,2]=4 1030 B9R0.2 C/C=C/CSCCC(C)O 62a_100012276601_100102629194 [1,0,0,0,0,0|1,0,2]=4 1031 B9R0.2 C/C=C/CSCCC(C)O 62a_100102629194_100012276601 [1,0,0,0,0,0|1,0,2]=4 1032 B9R0.2 C=C(C)CCNCCCC 2230a_100000102301_100000730704 [1,0,0,0,0,0|2,0,1]=4 1033 B9R0.2 C=C(C)CCNCCCC 7a_106832991798_100000730704 [1,0,0,0,0,0|2,0,1]=4 1034 B9R0.2 C=C(C)CCOCCCC 34a_100000210227_100000730704 [1,0,0,0,0,0|2,0,1]=4 1035 B9R0.2 C=C(C)CCOCCCC 34a_100000764851_100000210210 [1,0,0,0,0,0|2,0,1]=4 1036 B9R0.2 C=C(C)CCOCCCC 7a_100000210227_100000730704 [1,0,0,0,0,0|2,0,1]=4 1037 B9R0.2 C=C(C)CCSCCCC 62a_100000210211_100000730704 [1,0,0,0,0,0|2,0,1]=4 1038 B9R0.2 C=C(C)CCSCCCC 62a_100000730704_100000210210 [1,0,0,0,0,0|2,0,1]=4 1039 B9R0.2 C=C(C)CNCCCCC 2230a_100000209983_100000748629 [1,0,0,0,0,0|2,0,1]=4 1040 B9R0.2 C=C(C)COCCCCC 34a_100000210245_100000718602 [1,0,0,0,0,0|2,0,1]=4 1041 B9R0.2 C=C(C)COCCCCC 34a_100000210253_100000748629 [1,0,0,0,0,0|2,0,1]=4 1042 B9R0.2 C=C(C)COCCCCC 7a_100000210253_100000748629 [1,0,0,0,0,0|2,0,1]=4 1043 B9R0.2 C=C(C)CSCCCCC 62a_100000210326_100000211660 [1,0,0,0,0,0|2,0,1]=4 1044 B9R0.2 C=C(C)CSCCCCC 62a_100000748629_100000210326 [1,0,0,0,0,0|2,0,1]=4 1045 B9R0.2 C=CCCCNCC(C)O 2230a_100000210904_100011713584 [1,0,0,0,0,0|1,0,2]=4 1046 B9R0.2 C=CCCCNCC(C)O 2230a_100000700776_100011218427 [1,0,0,0,0,0|1,0,2]=4 1047 B9R0.2 C=CCCCNCC(C)O 34a_100000210904_100000757094 [1,0,0,0,0,0|1,0,2]=4 1048 B9R0.2 C=CCCCNCC(C)O 34a_100000700776_100011218427 [1,0,0,0,0,0|1,0,2]=4 1049 B9R0.2 C=CCCCNC[C@@H](C)O 2230a_100000700776_100009817552 [1,0,0,0,0,0|1,0,2]=4 1050 B9R0.2 C=CCCCNC[C@@H](C)O 34a_100000700776_100009817552 [1,0,0,0,0,0|1,0,2]=4 1051 B9R0.2 C=CCCCOCC(C)O 34a_100000758997_100011218427 [1,0,0,0,0,0|1,0,2]=4 1052 B9R0.2 C=CCCCOCC(C)O 7a_100000758997_100011218427 [1,0,0,0,0,0|1,0,2]=4 1053 B9R0.2 C=CCCCOC[C@@H](C)O 34a_100000758997_100009817552 [1,0,0,0,0,0|1,0,2]=4 1054 B9R0.2 C=CCCCOC[C@@H](C)O 7a_100000758997_100009817552 [1,0,0,0,0,0|1,0,2]=4 1055 B9R0.2 C=CCCCSCC(C)O 62a_100011218427_100000757094 [1,0,0,0,0,0|1,0,2]=4 1056 B9R0.2 C=CCCCSCC(C)O 62a_100011713584_100011218427 [1,0,0,0,0,0|1,0,2]=4 1057 B9R0.2 C=CCCCSC[C@@H](C)O 62a_100009817552_100000757094 [1,0,0,0,0,0|1,0,2]=4 1058 B9R0.2 C=CCCCSC[C@@H](C)O 62a_100011713584_100009817552 [1,0,0,0,0,0|1,0,2]=4 1059 B9R0.2 C=CCCNCCC(C)O 2230a_100015191253_100012276601 [1,0,0,0,0,0|1,0,2]=4 1060 B9R0.2 C=CCCNCCC(C)O 2230a_200000755665_100000754431 [1,0,0,0,0,0|1,0,2]=4 1061 B9R0.2 C=CCCOCCC(C)O 34a_100011205117_100012276601 [1,0,0,0,0,0|1,0,2]=4 1062 B9R0.2 C=CCCSCCC(C)O 62a_100000754431_100012276601 [1,0,0,0,0,0|1,0,2]=4 1063 B9R0.2 C=CCCSCCC(C)O 62a_100012276601_100000754431 [1,0,0,0,0,0|1,0,2]=4 1064 B9R0.2 C=CCNCCCC(C)O 2230a_100020586998_200000718107 [1,0,0,0,0,0|1,0,2]=4 1065 B9R0.2 C=CCOCCCC(C)O 34a_200000210373_200000718107 [1,0,0,0,0,0|1,0,2]=4 1066 B9R0.2 C=CCSCCCC(C)O 62a_100000210623_200000718107 [1,0,0,0,0,0|1,0,2]=4 1067 B9R0.2 C=CCSCCCC(C)O 62a_200000718107_100000210623 [1,0,0,0,0,0|1,0,2]=4 1068 B9R0.2 CC#CCCOCC(C)O 34a_100000750427_100011218427 [1,0,0,0,0,0|1,0,2]=4 1069 B9R0.2 CC#CCCOC[C@@H](C)O 34a_100000750427_100009817552 [1,0,0,0,0,0|1,0,2]=4 1070 B9R0.2 CC#CCNCCC(C)O 2230a_100000685387_100012276601 [1,0,0,0,0,0|1,0,2]=4 1071 B9R0.2 CC#CCNCCC(C)O 2230a_200000755665_100000748600 [1,0,0,0,0,0|1,0,2]=4 1072 B9R0.2 CC#CCNCCC(C)O 34a_100000685387_100012276601 [1,0,0,0,0,0|1,0,2]=4 1073 B9R0.2 CC#CCOCCC(C)O 34a_100000761923_100012276601 [1,0,0,0,0,0|1,0,2]=4 1074 B9R0.2 CC#CCSCCC(C)O 62a_100000748600_100012276601 [1,0,0,0,0,0|1,0,2]=4 1075 B9R0.2 CC#CCSCCC(C)O 62a_100012276601_100000748600 [1,0,0,0,0,0|1,0,2]=4 1076 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [1,0,0,0,0,0|1,0,2]=4 1077 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [1,0,0,0,0,0|1,0,2]=4 1078 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [1,0,0,0,0,0|1,0,2]=4 1079 B9R0.2 CC(Br)CCOCCCF 34a_100009893172_100011934791 [1,0,0,0,0,0|3,0,0]=4 1080 B9R0.2 CC(Br)CCOCCCO 34a_100009893172_100000230001 [1,0,0,0,0,0|3,0,0]=4 1081 B9R0.2 CC(Br)COCCCCF 34a_100012180447_100000729493 [1,0,0,0,0,0|3,0,0]=4 1082 B9R0.2 CC(Br)COCCCCO 34a_100012180447_100011216708 [1,0,0,0,0,0|3,0,0]=4 1083 B9R0.2 CC(C)CCCCCN[13CH3] 2230a_100011290863_200025704644 [1,0,0,0,0,0|2,0,0]=3 1084 B9R0.2 CC(C)CCCCCN[13CH3] 34a_100011290863_200025704644 [1,0,0,0,0,0|2,0,0]=3 1085 B9R0.2 CC(C)CCCCCO[13CH3] 34a_100011995859_200025704644 [1,0,0,0,0,0|2,0,0]=3 1086 B9R0.2 CC(C)CCCCCO[13CH3] 7a_100011995859_200025704644 [1,0,0,0,0,0|2,0,0]=3 1087 B9R0.2 CC(C)CCCCCS[13CH3] 62a_100000210682_200025704644 [1,0,0,0,0,0|2,0,0]=3 1088 B9R0.2 CC(C)CCCCCS[13CH3] 62a_200025704644_100000210682 [1,0,0,0,0,0|2,0,0]=3 1089 B9R0.2 CC(C)CCCCOCF 34a_100011214890_100015361967 [1,0,0,0,0,0|3,0,0]=4 1090 B9R0.2 CC(C)CCCCOCF 7a_100011214890_100015361967 [1,0,0,0,0,0|3,0,0]=4 1091 B9R0.2 CC(C)CCCCSCF 62a_100011216152_100015361967 [1,0,0,0,0,0|3,0,0]=4 1092 B9R0.2 CC(C)CCCCSCF 62a_100015361967_100011216152 [1,0,0,0,0,0|3,0,0]=4 1093 B9R0.2 CC(C)CCCNCCF 2230a_200000737386_100011217306 [1,0,0,0,0,0|3,0,0]=4 1094 B9R0.2 CC(C)CCCNCCF 34a_100000724931_100011214892 [1,0,0,0,0,0|3,0,0]=4 1095 B9R0.2 CC(C)CCCNCCF 34a_200000737386_100011217306 [1,0,0,0,0,0|3,0,0]=4 1096 B9R0.2 CC(C)CCCNCCO 2230a_100016997473_100011214892 [1,0,0,0,0,0|3,0,0]=4 1097 B9R0.2 CC(C)CCCNCCO 2230a_200000737386_100000211926 [1,0,0,0,0,0|3,0,0]=4 1098 B9R0.2 CC(C)CCCNCCO 34a_100016990907_100011214892 [1,0,0,0,0,0|3,0,0]=4 1099 B9R0.2 CC(C)CCCNCCO 34a_200000737386_100000211926 [1,0,0,0,0,0|3,0,0]=4 1100 B9R0.2 CC(C)CCCOCCBr 34a_100000211926_100011214892 [1,0,0,0,0,0|3,0,0]=4 1101 B9R0.2 CC(C)CCCOCCF 34a_100000210774_100011217306 [1,0,0,0,0,0|3,0,0]=4 1102 B9R0.2 CC(C)CCCOCCF 7a_100000210774_100011217306 [1,0,0,0,0,0|3,0,0]=4 1103 B9R0.2 CC(C)CCCOCCN 34a_100000210304_100011214892 [1,0,0,0,0,0|3,0,0]=4 1104 B9R0.2 CC(C)CCCOCCO 34a_100000210774_100000211926 [1,0,0,0,0,0|3,0,0]=4 1105 B9R0.2 CC(C)CCCOCCO 7a_100000210774_100000211926 [1,0,0,0,0,0|3,0,0]=4 1106 B9R0.2 CC(C)CCCSCCF 62a_100011214892_100011217306 [1,0,0,0,0,0|3,0,0]=4 1107 B9R0.2 CC(C)CCCSCCF 62a_100011217306_100011214892 [1,0,0,0,0,0|3,0,0]=4 1108 B9R0.2 CC(C)CCCSCCO 62a_100000211926_100011214892 [1,0,0,0,0,0|3,0,0]=4 1109 B9R0.2 CC(C)CCCSCCO 62a_100011214892_100000211926 [1,0,0,0,0,0|3,0,0]=4 1110 B9R0.2 CC(C)CCNCCCF 2230a_100015189416_100000210312 [1,0,0,0,0,0|3,0,0]=4 1111 B9R0.2 CC(C)CCNCCCF 269862a_100015189416_100000185833 [1,0,0,0,0,0|3,0,0]=4 1112 B9R0.2 CC(C)CCNCCCF 34a_100015189416_100000210312 [1,0,0,0,0,0|3,0,0]=4 1113 B9R0.2 CC(C)CCNCCCO 269862a_100000182051_100000185833 [1,0,0,0,0,0|3,0,0]=4 1114 B9R0.2 CC(C)CCOCCCBr 34a_100011217188_100000210312 [1,0,0,0,0,0|3,0,0]=4 1115 B9R0.2 CC(C)CCOCCCCl 34a_100000230001_100000210312 [1,0,0,0,0,0|3,0,0]=4 1116 B9R0.2 CC(C)CCOCCCF 34a_100000210254_100011934791 [1,0,0,0,0,0|3,0,0]=4 1117 B9R0.2 CC(C)CCOCCCF 34a_100000759539_100000210312 [1,0,0,0,0,0|3,0,0]=4 1118 B9R0.2 CC(C)CCOCCCF 7a_100000210254_100011934791 [1,0,0,0,0,0|3,0,0]=4 1119 B9R0.2 CC(C)CCOCCCN 34a_100000182051_100000210312 [1,0,0,0,0,0|3,0,0]=4 1120 B9R0.2 CC(C)CCOCCCO 34a_100000210254_100000230001 [1,0,0,0,0,0|3,0,0]=4 1121 B9R0.2 CC(C)CCOCCCO 7a_100000210254_100011215043 [1,0,0,0,0,0|3,0,0]=4 1122 B9R0.2 CC(C)CCSCCCF 62a_100000210312_100011934791 [1,0,0,0,0,0|3,0,0]=4 1123 B9R0.2 CC(C)CCSCCCF 62a_100011934791_100000210312 [1,0,0,0,0,0|3,0,0]=4 1124 B9R0.2 CC(C)CCSCCCO 62a_100000210312_100011215043 [1,0,0,0,0,0|3,0,0]=4 1125 B9R0.2 CC(C)CCSCCCO 62a_100011215043_100000210312 [1,0,0,0,0,0|3,0,0]=4 1126 B9R0.2 CC(C)CNCCCCF 2230a_100000210953_100000729493 [1,0,0,0,0,0|3,0,0]=4 1127 B9R0.2 CC(C)CNCCCCF 34a_100000210953_100000729493 [1,0,0,0,0,0|3,0,0]=4 1128 B9R0.2 CC(C)CNCCCCO 2230a_100000210953_100000210776 [1,0,0,0,0,0|3,0,0]=4 1129 B9R0.2 CC(C)CNCCCCO 2230a_100000750430_100000210760 [1,0,0,0,0,0|3,0,0]=4 1130 B9R0.2 CC(C)CNCCCCO 270004a_100000750430_100000210432 [1,0,0,0,0,0|3,0,0]=4 1131 B9R0.2 CC(C)CNCCCCO 34a_100000210953_100011216708 [1,0,0,0,0,0|3,0,0]=4 1132 B9R0.2 CC(C)CNCCCCO 34a_100000750430_100000210624 [1,0,0,0,0,0|3,0,0]=4 1133 B9R0.2 CC(C)COCCCCBr 34a_100011216708_100000210624 [1,0,0,0,0,0|3,0,0]=4 1134 B9R0.2 CC(C)COCCCCCl 34a_100000210776_100000210624 [1,0,0,0,0,0|3,0,0]=4 1135 B9R0.2 CC(C)COCCCCCl 7a_100000210776_100000210760 [1,0,0,0,0,0|3,0,0]=4 1136 B9R0.2 CC(C)COCCCCF 34a_100000210257_100000729493 [1,0,0,0,0,0|3,0,0]=4 1137 B9R0.2 CC(C)COCCCCF 34a_100011995726_100000210624 [1,0,0,0,0,0|3,0,0]=4 1138 B9R0.2 CC(C)COCCCCF 7a_100011995726_100000210760 [1,0,0,0,0,0|3,0,0]=4 1139 B9R0.2 CC(C)COCCCCI 34a_200012148704_100000210624 [1,0,0,0,0,0|3,0,0]=4 1140 B9R0.2 CC(C)COCCCCN 34a_100000750430_100000210624 [1,0,0,0,0,0|3,0,0]=4 1141 B9R0.2 CC(C)COCCCCO 34a_100000210257_100011216708 [1,0,0,0,0,0|3,0,0]=4 1142 B9R0.2 CC(C)COCCCN[13CH3] 2230a_100000205972_200025704644 [1,0,0,0,0,0|3,0,0]=4 1143 B9R0.2 CC(C)COCCCN[13CH3] 34a_100000205972_200025704644 [1,0,0,0,0,0|3,0,0]=4 1144 B9R0.2 CC(C)CSCCCCF 62a_100000210624_100000729493 [1,0,0,0,0,0|3,0,0]=4 1145 B9R0.2 CC(C)CSCCCCF 62a_100000729493_100000210760 [1,0,0,0,0,0|3,0,0]=4 1146 B9R0.2 CC(C)CSCCCCO 62a_100000210624_100000210776 [1,0,0,0,0,0|3,0,0]=4 1147 B9R0.2 CC(C)CSCCCCO 62a_100000210776_100000210760 [1,0,0,0,0,0|3,0,0]=4 1148 B9R0.2 CC(C)NCCCCCF 2230a_100138425928_100000729378 [1,0,0,0,0,0|3,0,0]=4 1149 B9R0.2 CC(C)NCCCCCF 34a_100138425928_100000729378 [1,0,0,0,0,0|3,0,0]=4 1150 B9R0.2 CC(C)NCCCCCO 2230a_100000762737_100000210206 [1,0,0,0,0,0|3,0,0]=4 1151 B9R0.2 CC(C)NCCCCCO 2230a_100138425928_100000746330 [1,0,0,0,0,0|3,0,0]=4 1152 B9R0.2 CC(C)NCCCCCO 34a_100000762737_100000210206 [1,0,0,0,0,0|3,0,0]=4 1153 B9R0.2 CC(C)NCCCCCO 34a_100138425928_100000746330 [1,0,0,0,0,0|3,0,0]=4 1154 B9R0.2 CC(C)NCCCCO[13CH3] 34a_100011521146_200025704644 [1,0,0,0,0,0|3,0,0]=4 1155 B9R0.2 CC(C)OCCCCCBr 34a_100000746331_100000210206 [1,0,0,0,0,0|3,0,0]=4 1156 B9R0.2 CC(C)OCCCCCBr 7a_100000746331_100000210206 [1,0,0,0,0,0|3,0,0]=4 1157 B9R0.2 CC(C)OCCCCCCl 34a_100000746330_100000210206 [1,0,0,0,0,0|3,0,0]=4 1158 B9R0.2 CC(C)OCCCCCCl 7a_100000746330_100000210206 [1,0,0,0,0,0|3,0,0]=4 1159 B9R0.2 CC(C)OCCCCCF 34a_100000212225_100000729378 [1,0,0,0,0,0|3,0,0]=4 1160 B9R0.2 CC(C)OCCCCCI 34a_200012148887_100000210206 [1,0,0,0,0,0|3,0,0]=4 1161 B9R0.2 CC(C)OCCCCCI 7a_200012148887_100000210206 [1,0,0,0,0,0|3,0,0]=4 1162 B9R0.2 CC(C)OCCCCCN 34a_100000762737_100000210206 [1,0,0,0,0,0|3,0,0]=4 1163 B9R0.2 CC(C)OCCCCCO 34a_100000212225_100000746330 [1,0,0,0,0,0|3,0,0]=4 1164 B9R0.2 CC(C)SCCCCCF 62a_100000210206_100000729378 [1,0,0,0,0,0|3,0,0]=4 1165 B9R0.2 CC(C)SCCCCCF 62a_100000729378_100000210206 [1,0,0,0,0,0|3,0,0]=4 1166 B9R0.2 CC(C)SCCCCCO 62a_100000210206_100000746330 [1,0,0,0,0,0|3,0,0]=4 1167 B9R0.2 CC(C)SCCCCCO 62a_100000746330_100000210206 [1,0,0,0,0,0|3,0,0]=4 1168 B9R0.2 CC(F)COCCCCF 34a_100015925927_100000729493 [1,0,0,0,0,0|3,0,0]=4 1169 B9R0.2 CC(F)COCCCCO 34a_100015925927_100011216708 [1,0,0,0,0,0|3,0,0]=4 1170 B9R0.2 CC(O)CCCNCCF 34a_100000724931_200000718107 [1,0,0,0,0,0|2,0,0]=3 1171 B9R0.2 CC(O)CCCNCCO 2230a_100016997473_200000718107 [1,0,0,0,0,0|2,0,0]=3 1172 B9R0.2 CC(O)CCCNCCO 34a_100016990907_200000718107 [1,0,0,0,0,0|2,0,0]=3 1173 B9R0.2 CC(O)CCCOCCBr 34a_100000211926_200000718107 [1,0,0,0,0,0|2,0,0]=3 1174 B9R0.2 CC(O)CCCOCCN 34a_100000210304_200000718107 [1,0,0,0,0,0|2,0,0]=3 1175 B9R0.2 CC(O)CCCSCC#N 62a_100011215382_200000718107 [1,0,0,0,0,0|2,0,1]=4 1176 B9R0.2 CC(O)CCCSCC#N 62a_200000718107_100011215382 [1,0,0,0,0,0|2,0,1]=4 1177 B9R0.2 CC(O)CCCSCC=O 62a_200000718107_200015260668 [1,0,0,0,0,0|2,0,1]=4 1178 B9R0.2 CC(O)CCCSCC=O 62a_200015260668_200000718107 [1,0,0,0,0,0|2,0,1]=4 1179 B9R0.2 CC(O)CCCSCCF 62a_100011217306_200000718107 [1,0,0,0,0,0|2,0,0]=3 1180 B9R0.2 CC(O)CCCSCCF 62a_200000718107_100011217306 [1,0,0,0,0,0|2,0,0]=3 1181 B9R0.2 CC(O)CCCSCCO 62a_100000211926_200000718107 [1,0,0,0,0,0|2,0,0]=3 1182 B9R0.2 CC(O)CCCSCCO 62a_200000718107_100000211926 [1,0,0,0,0,0|2,0,0]=3 1183 B9R0.2 CC(O)CCNCCC#N 2230a_200000755665_100011215226 [1,0,0,0,0,0|2,0,1]=4 1184 B9R0.2 CC(O)CCNCCCF 2230a_100015189416_100012276601 [1,0,0,0,0,0|2,0,0]=3 1185 B9R0.2 CC(O)CCNCCCF 2230a_200000755665_100011934791 [1,0,0,0,0,0|2,0,0]=3 1186 B9R0.2 CC(O)CCNCCCF 34a_100015189416_100012276601 [1,0,0,0,0,0|2,0,0]=3 1187 B9R0.2 CC(O)CCNCCCO 2230a_200000755665_100000230001 [1,0,0,0,0,0|2,0,0]=3 1188 B9R0.2 CC(O)CCOCCCBr 34a_100011217188_100012276601 [1,0,0,0,0,0|2,0,0]=3 1189 B9R0.2 CC(O)CCOCCCCl 34a_100000230001_100012276601 [1,0,0,0,0,0|2,0,0]=3 1190 B9R0.2 CC(O)CCOCCCF 34a_100000759539_100012276601 [1,0,0,0,0,0|2,0,0]=3 1191 B9R0.2 CC(O)CCOCCCN 34a_100000182051_100012276601 [1,0,0,0,0,0|2,0,0]=3 1192 B9R0.2 CC(O)CCOCCON 34a_100000700252_100012276601 [1,0,0,0,0,0|3,0,0]=4 1193 B9R0.2 CC(O)CCSCCC#N 62a_100011215226_100012276601 [1,0,0,0,0,0|2,0,1]=4 1194 B9R0.2 CC(O)CCSCCC#N 62a_100012276601_100011215226 [1,0,0,0,0,0|2,0,1]=4 1195 B9R0.2 CC(O)CCSCCCF 62a_100011934791_100012276601 [1,0,0,0,0,0|2,0,0]=3 1196 B9R0.2 CC(O)CCSCCCF 62a_100012276601_100011934791 [1,0,0,0,0,0|2,0,0]=3 1197 B9R0.2 CC(O)CCSCCCO 62a_100011215043_100012276601 [1,0,0,0,0,0|2,0,0]=3 1198 B9R0.2 CC(O)CCSCCCO 62a_100012276601_100011215043 [1,0,0,0,0,0|2,0,0]=3 1199 B9R0.2 CC(O)CNCCCC#N 2230a_100000210904_100000687738 [1,0,0,0,0,0|2,0,1]=4 1200 B9R0.2 CC(O)CNCCCC=O 2230a_100000210904_200011292268 [1,0,0,0,0,0|2,0,1]=4 1201 B9R0.2 CC(O)CNCCCCF 2230a_100000210904_100000729493 [1,0,0,0,0,0|2,0,0]=3 1202 B9R0.2 CC(O)CNCCCCF 34a_100000210904_100000729493 [1,0,0,0,0,0|2,0,0]=3 1203 B9R0.2 CC(O)CNCCCCO 2230a_100000210904_100000210776 [1,0,0,0,0,0|2,0,0]=3 1204 B9R0.2 CC(O)CNCCCCO 2230a_100000750430_100011218427 [1,0,0,0,0,0|2,0,0]=3 1205 B9R0.2 CC(O)CNCCCCO 34a_100000210904_100011216708 [1,0,0,0,0,0|2,0,0]=3 1206 B9R0.2 CC(O)CNCCCCO 34a_100000750430_100011218427 [1,0,0,0,0,0|2,0,0]=3 1207 B9R0.2 CC(O)COCCCCBr 34a_100011216708_100011218427 [1,0,0,0,0,0|2,0,0]=3 1208 B9R0.2 CC(O)COCCCCCl 34a_100000210776_100011218427 [1,0,0,0,0,0|2,0,0]=3 1209 B9R0.2 CC(O)COCCCCCl 7a_100000210776_100011218427 [1,0,0,0,0,0|2,0,0]=3 1210 B9R0.2 CC(O)COCCCCF 34a_100011995726_100011218427 [1,0,0,0,0,0|2,0,0]=3 1211 B9R0.2 CC(O)COCCCCF 7a_100011995726_100011218427 [1,0,0,0,0,0|2,0,0]=3 1212 B9R0.2 CC(O)COCCCCI 34a_200012148704_100011218427 [1,0,0,0,0,0|2,0,0]=3 1213 B9R0.2 CC(O)COCCCCN 34a_100000750430_100011218427 [1,0,0,0,0,0|2,0,0]=3 1214 B9R0.2 CC(O)CSCCCC#N 62a_100000687738_100011218427 [1,0,0,0,0,0|2,0,1]=4 1215 B9R0.2 CC(O)CSCCCC#N 62a_100011218427_100000687738 [1,0,0,0,0,0|2,0,1]=4 1216 B9R0.2 CC(O)CSCCCC=O 62a_100011218427_200011292268 [1,0,0,0,0,0|2,0,1]=4 1217 B9R0.2 CC(O)CSCCCC=O 62a_200011292268_100011218427 [1,0,0,0,0,0|2,0,1]=4 1218 B9R0.2 CC(O)CSCCCCF 62a_100000729493_100011218427 [1,0,0,0,0,0|2,0,0]=3 1219 B9R0.2 CC(O)CSCCCCF 62a_100011218427_100000729493 [1,0,0,0,0,0|2,0,0]=3 1220 B9R0.2 CC(O)CSCCCCO 62a_100000210776_100011218427 [1,0,0,0,0,0|2,0,0]=3 1221 B9R0.2 CC(O)CSCCCCO 62a_100011218427_100000210776 [1,0,0,0,0,0|2,0,0]=3 1222 B9R0.2 CC/C=C\CNCC(C)O 2230a_100000210904_100103147603 [1,0,0,0,0,0|1,0,2]=4 1223 B9R0.2 CC/C=C\CNCC(C)O 34a_100000210904_100103147603 [1,0,0,0,0,0|1,0,2]=4 1224 B9R0.2 CC/C=C\COCC(C)O 34a_100016268518_100011218427 [1,0,0,0,0,0|1,0,2]=4 1225 B9R0.2 CC/C=C\COC[C@@H](C)O 34a_100016268518_100009817552 [1,0,0,0,0,0|1,0,2]=4 1226 B9R0.2 CC/C=C\CSCC(C)O 62a_100011218427_100103147603 [1,0,0,0,0,0|1,0,2]=4 1227 B9R0.2 CC/C=C\CSCC(C)O 62a_100103147603_100011218427 [1,0,0,0,0,0|1,0,2]=4 1228 B9R0.2 CC/C=C\CSC[C@@H](C)O 62a_100009817552_100103147603 [1,0,0,0,0,0|1,0,2]=4 1229 B9R0.2 CC/C=C\CSC[C@@H](C)O 62a_100103147603_100009817552 [1,0,0,0,0,0|1,0,2]=4 1230 B9R0.2 CC=CCNCCC(C)O 2230a_200000755665_100000070051 [1,0,0,0,0,0|1,0,2]=4 1231 B9R0.2 CC=CCSCCC(C)O 62a_100000070051_100012276601 [1,0,0,0,0,0|1,0,2]=4 1232 B9R0.2 CC=CCSCCC(C)O 62a_100012276601_100000070051 [1,0,0,0,0,0|1,0,2]=4 1233 B9R0.2 CCC#CCNCC(C)O 2230a_100000210904_100009813939 [1,0,0,0,0,0|1,0,2]=4 1234 B9R0.2 CCC#CCNCC(C)O 34a_100000210904_100009813939 [1,0,0,0,0,0|1,0,2]=4 1235 B9R0.2 CCC#CCOCC(C)O 34a_100000032950_100011218427 [1,0,0,0,0,0|1,0,2]=4 1236 B9R0.2 CCC#CCOC[C@@H](C)O 34a_100000032950_100009817552 [1,0,0,0,0,0|1,0,2]=4 1237 B9R0.2 CCC#CCSCC(C)O 62a_100009813939_100011218427 [1,0,0,0,0,0|1,0,2]=4 1238 B9R0.2 CCC#CCSCC(C)O 62a_100011218427_100009813939 [1,0,0,0,0,0|1,0,2]=4 1239 B9R0.2 CCC#CCSC[C@@H](C)O 62a_100009813939_100009817552 [1,0,0,0,0,0|1,0,2]=4 1240 B9R0.2 CCC#CCSC[C@@H](C)O 62a_100009817552_100009813939 [1,0,0,0,0,0|1,0,2]=4 1241 B9R0.2 CCCC=NNCC(C)O 4a_200000730056_100000185831 [1,0,0,0,0,0|2,0,1]=4 1242 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [1,0,0,0,0,0|0,0,2]=3 1243 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [1,0,0,0,0,0|0,0,2]=3 1244 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [1,0,0,0,0,0|0,0,2]=3 1245 B9R0.2 CCCCCCCN(C)C 2230a_100000228206_200000210301 [1,0,0,0,0,0|2,0,0]=3 1246 B9R0.2 CCCCCCCN(C)C 2230a_100102631434_100000210681 [1,0,0,0,0,0|2,0,0]=3 1247 B9R0.2 CCCCCCCN(C)C 269982a_100000228206_200000210301 [1,0,0,0,0,0|2,0,0]=3 1248 B9R0.2 CCCCCCCN(C)C 269982a_100102631434_100000210681 [1,0,0,0,0,0|2,0,0]=3 1249 B9R0.2 CCCCCCCN(C)[13CH3] 2230a_100000228206_200025704644 [1,0,0,0,0,0|2,0,0]=3 1250 B9R0.2 CCCCCCCN(C)[13CH3] 269982a_100000228206_200025704644 [1,0,0,0,0,0|2,0,0]=3 1251 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [1,0,0,0,0,0|1,0,2]=4 1252 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [1,0,0,0,0,0|1,0,2]=4 1253 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [1,0,0,0,0,0|1,0,2]=4 1254 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [1,0,0,0,0,0|1,0,2]=4 1255 B9R0.2 CCCCCCNC(C)C 2230a_100000210581_100000210206 [1,0,0,0,0,0|2,0,0]=3 1256 B9R0.2 CCCCCCNC(C)C 2230a_100138425928_100000210314 [1,0,0,0,0,0|2,0,0]=3 1257 B9R0.2 CCCCCCNC(C)C 34a_100138425928_100000210314 [1,0,0,0,0,0|2,0,0]=3 1258 B9R0.2 CCCCCCOC(C)C 34a_100000210259_100000210206 [1,0,0,0,0,0|2,0,0]=3 1259 B9R0.2 CCCCCCOC(C)C 34a_100000212225_100000210314 [1,0,0,0,0,0|2,0,0]=3 1260 B9R0.2 CCCCCCOC(C)C 7a_100000210259_100000210206 [1,0,0,0,0,0|2,0,0]=3 1261 B9R0.2 CCCCCCSC(C)C 62a_100000210206_100000210757 [1,0,0,0,0,0|2,0,0]=3 1262 B9R0.2 CCCCCCSC(C)C 62a_100000210314_100000210206 [1,0,0,0,0,0|2,0,0]=3 1263 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [1,0,0,0,0,0|2,0,1]=4 1264 B9R0.2 CCCCCNCC(C)C 2230a_100000209983_100000210760 [1,0,0,0,0,0|2,0,0]=3 1265 B9R0.2 CCCCCNCC(C)C 2230a_100000210953_100000210326 [1,0,0,0,0,0|2,0,0]=3 1266 B9R0.2 CCCCCNCC(C)C 270004a_100000209983_100000210432 [1,0,0,0,0,0|2,0,0]=3 1267 B9R0.2 CCCCCNCC(C)C 34a_100000210953_100000718602 [1,0,0,0,0,0|2,0,0]=3 1268 B9R0.2 CCCCCNCC(C)O 2230a_100000209983_100011218427 [1,0,0,0,0,0|1,0,0]=2 1269 B9R0.2 CCCCCNCC(C)O 2230a_100000210904_100000210326 [1,0,0,0,0,0|1,0,0]=2 1270 B9R0.2 CCCCCNCC(C)O 34a_100000210904_100000718602 [1,0,0,0,0,0|1,0,0]=2 1271 B9R0.2 CCCCCNCC(F)F 2230a_100000209983_100011934356 [1,0,0,0,0,0|3,0,0]=4 1272 B9R0.2 CCCCCNCC(F)F 34a_100000765723_100000718602 [1,0,0,0,0,0|3,0,0]=4 1273 B9R0.2 CCCCCNC[C@@H](C)O 2230a_100000209983_100009817552 [1,0,0,0,0,0|1,0,0]=2 1274 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [1,0,0,0,0,0|1,0,2]=4 1275 B9R0.2 CCCCCOCC(C)Br 34a_100012180447_100000718602 [1,0,0,0,0,0|2,0,0]=3 1276 B9R0.2 CCCCCOCC(C)C 34a_100000210253_100000210624 [1,0,0,0,0,0|2,0,0]=3 1277 B9R0.2 CCCCCOCC(C)C 34a_100000210257_100000718602 [1,0,0,0,0,0|2,0,0]=3 1278 B9R0.2 CCCCCOCC(C)C 7a_100000210253_100000210760 [1,0,0,0,0,0|2,0,0]=3 1279 B9R0.2 CCCCCOCC(C)F 34a_100015925927_100000718602 [1,0,0,0,0,0|2,0,0]=3 1280 B9R0.2 CCCCCOCC(C)O 34a_100000210253_100011218427 [1,0,0,0,0,0|1,0,0]=2 1281 B9R0.2 CCCCCOCC(C)O 7a_100000210253_100011218427 [1,0,0,0,0,0|1,0,0]=2 1282 B9R0.2 CCCCCOCC(F)F 34a_100000210253_100011934356 [1,0,0,0,0,0|3,0,0]=4 1283 B9R0.2 CCCCCOCC(F)F 34a_100000743014_100000718602 [1,0,0,0,0,0|3,0,0]=4 1284 B9R0.2 CCCCCOCC(F)F 7a_100000210253_100011934356 [1,0,0,0,0,0|3,0,0]=4 1285 B9R0.2 CCCCCOC[C@@H](C)Cl 34a_100016084084_100000718602 [1,0,0,0,0,0|2,0,0]=3 1286 B9R0.2 CCCCCOC[C@@H](C)N 34a_100000737577_100000718602 [1,0,0,0,0,0|2,0,0]=3 1287 B9R0.2 CCCCCOC[C@@H](C)O 34a_100000210253_100009817552 [1,0,0,0,0,0|1,0,0]=2 1288 B9R0.2 CCCCCOC[C@@H](C)O 7a_100000210253_100009817552 [1,0,0,0,0,0|1,0,0]=2 1289 B9R0.2 CCCCCSCC(C)C 62a_100000210326_100000210760 [1,0,0,0,0,0|2,0,0]=3 1290 B9R0.2 CCCCCSCC(C)C 62a_100000210624_100000210326 [1,0,0,0,0,0|2,0,0]=3 1291 B9R0.2 CCCCCSCC(C)O 62a_100000210326_100011218427 [1,0,0,0,0,0|1,0,0]=2 1292 B9R0.2 CCCCCSCC(C)O 62a_100011218427_100000210326 [1,0,0,0,0,0|1,0,0]=2 1293 B9R0.2 CCCCCSCC(F)F 62a_100000210326_100011934356 [1,0,0,0,0,0|3,0,0]=4 1294 B9R0.2 CCCCCSCC(F)F 62a_100011934356_100000210326 [1,0,0,0,0,0|3,0,0]=4 1295 B9R0.2 CCCCCSC[C@@H](C)O 62a_100000210326_100009817552 [1,0,0,0,0,0|1,0,0]=2 1296 B9R0.2 CCCCCSC[C@@H](C)O 62a_100009817552_100000210326 [1,0,0,0,0,0|1,0,0]=2 1297 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [1,0,0,0,0,0|1,0,2]=4 1298 B9R0.2 CCCCNCCC(C)C 2230a_100000102301_100000210312 [1,0,0,0,0,0|2,0,0]=3 1299 B9R0.2 CCCCNCCC(C)C 269862a_100000102301_100000185833 [1,0,0,0,0,0|2,0,0]=3 1300 B9R0.2 CCCCNCCC(C)C 7a_106832991798_100000210626 [1,0,0,0,0,0|2,0,0]=3 1301 B9R0.2 CCCCNCCC(C)O 2230a_100000102301_100012276601 [1,0,0,0,0,0|1,0,0]=2 1302 B9R0.2 CCCCNCCC(C)O 2230a_200000755665_100000210211 [1,0,0,0,0,0|1,0,0]=2 1303 B9R0.2 CCCCNCCC(C)O 7a_106832991798_100012276601 [1,0,0,0,0,0|1,0,0]=2 1304 B9R0.2 CCCCNCCN(C)C 7a_106832991798_100000755713 [1,0,0,0,0,0|3,0,0]=4 1305 B9R0.2 CCCCNCOC(C)C 2230a_100000102301_100000709892 [1,0,0,0,0,0|3,0,0]=4 1306 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [1,0,0,0,0,0|1,0,2]=4 1307 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [1,0,0,0,0,0|1,0,2]=4 1308 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [1,0,0,0,0,0|1,0,2]=4 1309 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [1,0,0,0,0,0|1,0,2]=4 1310 B9R0.2 CCCCOCCC(C)Br 34a_100009893172_100000210210 [1,0,0,0,0,0|2,0,0]=3 1311 B9R0.2 CCCCOCCC(C)C 34a_100000210227_100000210312 [1,0,0,0,0,0|2,0,0]=3 1312 B9R0.2 CCCCOCCC(C)C 34a_100000210254_100000210210 [1,0,0,0,0,0|2,0,0]=3 1313 B9R0.2 CCCCOCCC(C)C 7a_100000210227_100000210626 [1,0,0,0,0,0|2,0,0]=3 1314 B9R0.2 CCCCOCCC(C)C 7a_100000210254_100000210211 [1,0,0,0,0,0|2,0,0]=3 1315 B9R0.2 CCCCOCCC(C)O 34a_100000210227_100012276601 [1,0,0,0,0,0|1,0,0]=2 1316 B9R0.2 CCCCOCCC(C)O 7a_100000210227_100012276601 [1,0,0,0,0,0|1,0,0]=2 1317 B9R0.2 CCCCOCCC(F)F 34a_100103093639_100000210210 [1,0,0,0,0,0|3,0,0]=4 1318 B9R0.2 CCCCOCCN(C)C 2230a_100102631434_100000743108 [1,0,0,0,0,0|3,0,0]=4 1319 B9R0.2 CCCCOCCN(C)C 269982a_100102631434_100000743108 [1,0,0,0,0,0|3,0,0]=4 1320 B9R0.2 CCCCOCCN(C)C 7a_100000210227_100000755713 [1,0,0,0,0,0|3,0,0]=4 1321 B9R0.2 CCCCOCC[C@@H](C)N 34a_100000706166_100000210210 [1,0,0,0,0,0|2,0,0]=3 1322 B9R0.2 CCCCOCNC(C)C 2230a_100138425928_100011995733 [1,0,0,0,0,0|3,0,0]=4 1323 B9R0.2 CCCCOCNC(C)C 34a_100138425928_100011995733 [1,0,0,0,0,0|3,0,0]=4 1324 B9R0.2 CCCCOCOC(C)C 34a_100000210227_100000709892 [1,0,0,0,0,0|3,0,0]=4 1325 B9R0.2 CCCCOCOC(C)C 34a_100000212225_100011995733 [1,0,0,0,0,0|3,0,0]=4 1326 B9R0.2 CCCCOCSC(C)C 62a_100000210206_100011995733 [1,0,0,0,0,0|3,0,0]=4 1327 B9R0.2 CCCCOCSC(C)C 62a_100011995733_100000210206 [1,0,0,0,0,0|3,0,0]=4 1328 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [1,0,0,0,0,0|1,0,2]=4 1329 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [1,0,0,0,0,0|1,0,2]=4 1330 B9R0.2 CCCCSCCC(C)C 62a_100000210211_100000210312 [1,0,0,0,0,0|2,0,0]=3 1331 B9R0.2 CCCCSCCC(C)C 62a_100000210312_100000210210 [1,0,0,0,0,0|2,0,0]=3 1332 B9R0.2 CCCCSCCC(C)O 62a_100000210211_100012276601 [1,0,0,0,0,0|1,0,0]=2 1333 B9R0.2 CCCCSCCC(C)O 62a_100012276601_100000210210 [1,0,0,0,0,0|1,0,0]=2 1334 B9R0.2 CCCCSCCN(C)C 62a_100000210211_100000755713 [1,0,0,0,0,0|3,0,0]=4 1335 B9R0.2 CCCCSCOC(C)C 62a_100000210211_100000709892 [1,0,0,0,0,0|3,0,0]=4 1336 B9R0.2 CCCCSCOC(C)C 62a_100000709892_100000210210 [1,0,0,0,0,0|3,0,0]=4 1337 B9R0.2 CCCNCCCC(C)C 2230a_200000737386_100000210303 [1,0,0,0,0,0|2,0,0]=3 1338 B9R0.2 CCCNCCCC(C)C 34a_200000737386_100000210303 [1,0,0,0,0,0|2,0,0]=3 1339 B9R0.2 CCCNCCCS(=O)C 2230a_200000753449_100000210303 [1,0,0,0,0,0|2,0,1]=4 1340 B9R0.2 CCCNCCOC(C)C 2230a_100000701111_100000210303 [1,0,0,0,0,0|3,0,0]=4 1341 B9R0.2 CCCNCCOC(C)C 34a_100000701111_100000210303 [1,0,0,0,0,0|3,0,0]=4 1342 B9R0.2 CCCNCCSC(C)C 2230a_100000731138_100000210303 [1,0,0,0,0,0|3,0,0]=4 1343 B9R0.2 CCCNCCSC(C)C 34a_100000731138_100000210303 [1,0,0,0,0,0|3,0,0]=4 1344 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [1,0,0,0,0,0|1,0,2]=4 1345 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [1,0,0,0,0,0|1,0,2]=4 1346 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [1,0,0,0,0,0|1,0,2]=4 1347 B9R0.2 CCCOCCCC(C)C 34a_100000210258_100011214892 [1,0,0,0,0,0|2,0,0]=3 1348 B9R0.2 CCCOCCCC(C)C 34a_100000210774_100000210303 [1,0,0,0,0,0|2,0,0]=3 1349 B9R0.2 CCCOCCCC(C)C 7a_100000210774_100000210303 [1,0,0,0,0,0|2,0,0]=3 1350 B9R0.2 CCCOCCCC(C)O 34a_100000210258_200000718107 [1,0,0,0,0,0|1,0,0]=2 1351 B9R0.2 CCCOCCNC(C)C 2230a_100138425928_100011215938 [1,0,0,0,0,0|3,0,0]=4 1352 B9R0.2 CCCOCCNC(C)C 2230a_100161115042_100000210206 [1,0,0,0,0,0|3,0,0]=4 1353 B9R0.2 CCCOCCNC(C)C 34a_100000224655_100000210303 [1,0,0,0,0,0|3,0,0]=4 1354 B9R0.2 CCCOCCNC(C)C 34a_100138425928_100011215938 [1,0,0,0,0,0|3,0,0]=4 1355 B9R0.2 CCCOCCNC(C)C 34a_100161115042_100000210206 [1,0,0,0,0,0|3,0,0]=4 1356 B9R0.2 CCCOCCOC(C)C 34a_100000210258_100000211751 [1,0,0,0,0,0|3,0,0]=4 1357 B9R0.2 CCCOCCOC(C)C 34a_100000211219_100000210303 [1,0,0,0,0,0|3,0,0]=4 1358 B9R0.2 CCCOCCOC(C)C 34a_100000212225_100011215938 [1,0,0,0,0,0|3,0,0]=4 1359 B9R0.2 CCCOCCOC(C)C 34a_100000752267_100000210206 [1,0,0,0,0,0|3,0,0]=4 1360 B9R0.2 CCCOCCOC(C)C 7a_100000211219_100000210303 [1,0,0,0,0,0|3,0,0]=4 1361 B9R0.2 CCCOCCOC(C)C 7a_100000752267_100000210206 [1,0,0,0,0,0|3,0,0]=4 1362 B9R0.2 CCCOCCSC(C)C 34a_100000210258_100000730970 [1,0,0,0,0,0|3,0,0]=4 1363 B9R0.2 CCCOCCSC(C)C 34a_200011212901_100000210303 [1,0,0,0,0,0|3,0,0]=4 1364 B9R0.2 CCCOCCSC(C)C 62a_100000210206_100011215938 [1,0,0,0,0,0|3,0,0]=4 1365 B9R0.2 CCCOCCSC(C)C 62a_100011215938_100000210206 [1,0,0,0,0,0|3,0,0]=4 1366 B9R0.2 CCCOCCSC(C)C 7a_200011212901_100000210303 [1,0,0,0,0,0|3,0,0]=4 1367 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [1,0,0,0,0,0|1,0,2]=4 1368 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [1,0,0,0,0,0|1,0,2]=4 1369 B9R0.2 CCCSCCCC(C)C 62a_100000210303_100011214892 [1,0,0,0,0,0|2,0,0]=3 1370 B9R0.2 CCCSCCCC(C)C 62a_100011214892_100000210303 [1,0,0,0,0,0|2,0,0]=3 1371 B9R0.2 CCCSCCCC(C)O 62a_100000210303_200000718107 [1,0,0,0,0,0|1,0,0]=2 1372 B9R0.2 CCCSCCCC(C)O 62a_200000718107_100000210303 [1,0,0,0,0,0|1,0,0]=2 1373 B9R0.2 CCCSCCCN(C)C 62a_100000210303_100000757444 [1,0,0,0,0,0|3,0,0]=4 1374 B9R0.2 CCCSCCNC(C)C 2230a_100020603323_100000210206 [1,0,0,0,0,0|3,0,0]=4 1375 B9R0.2 CCCSCCOC(C)C 34a_200000230433_100000210206 [1,0,0,0,0,0|3,0,0]=4 1376 B9R0.2 CCCSCCOC(C)C 62a_100000210303_100000211751 [1,0,0,0,0,0|3,0,0]=4 1377 B9R0.2 CCCSCCOC(C)C 62a_100000211751_100000210303 [1,0,0,0,0,0|3,0,0]=4 1378 B9R0.2 CCCSCCOC(C)C 7a_200000230433_100000210206 [1,0,0,0,0,0|3,0,0]=4 1379 B9R0.2 CCCSCCSC(C)C 62a_100000210303_100000730970 [1,0,0,0,0,0|3,0,0]=4 1380 B9R0.2 CCCSCCSC(C)C 62a_100000730970_100000210303 [1,0,0,0,0,0|3,0,0]=4 1381 B9R0.2 CCNCCCCB(O)O 2230a_100015525214_200009817182 [1,0,0,0,0,0|3,0,0]=4 1382 B9R0.2 CCNCCCCC(C)C 2230a_100015525214_100011216152 [1,0,0,0,0,0|2,0,0]=3 1383 B9R0.2 CCNCCCOC(C)C 2230a_100000737246_100000210202 [1,0,0,0,0,0|3,0,0]=4 1384 B9R0.2 CCNCCCOC(C)C 34a_100000737246_100000210202 [1,0,0,0,0,0|3,0,0]=4 1385 B9R0.2 CCOCCCCB(O)O 34a_100121572206_200009817182 [1,0,0,0,0,0|3,0,0]=4 1386 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [1,0,0,0,0,0|1,0,2]=4 1387 B9R0.2 CCOCCCCC(C)C 34a_100011214890_100000210202 [1,0,0,0,0,0|2,0,0]=3 1388 B9R0.2 CCOCCCCC(C)C 34a_100121572206_100011216152 [1,0,0,0,0,0|2,0,0]=3 1389 B9R0.2 CCOCCCCC(C)C 7a_100011214890_100000210202 [1,0,0,0,0,0|2,0,0]=3 1390 B9R0.2 CCOCCCNC(C)C 2230a_100000210961_100000210206 [1,0,0,0,0,0|3,0,0]=4 1391 B9R0.2 CCOCCCNC(C)C 2230a_100138425928_100012232248 [1,0,0,0,0,0|3,0,0]=4 1392 B9R0.2 CCOCCCNC(C)C 34a_100000182298_100000210202 [1,0,0,0,0,0|3,0,0]=4 1393 B9R0.2 CCOCCCNC(C)C 34a_100000210961_100000210206 [1,0,0,0,0,0|3,0,0]=4 1394 B9R0.2 CCOCCCNC(C)C 34a_100138425928_100012232248 [1,0,0,0,0,0|3,0,0]=4 1395 B9R0.2 CCOCCCOC(C)C 34a_100000212225_100012232248 [1,0,0,0,0,0|3,0,0]=4 1396 B9R0.2 CCOCCCOC(C)C 34a_100000757476_100000210206 [1,0,0,0,0,0|3,0,0]=4 1397 B9R0.2 CCOCCCOC(C)C 7a_100000757476_100000210206 [1,0,0,0,0,0|3,0,0]=4 1398 B9R0.2 CCOCCCSC(C)C 62a_100000210206_100012232248 [1,0,0,0,0,0|3,0,0]=4 1399 B9R0.2 CCOCCCSC(C)C 62a_100012232248_100000210206 [1,0,0,0,0,0|3,0,0]=4 1400 B9R0.2 CCOCCNCC(C)C 2230a_100000210953_100011215890 [1,0,0,0,0,0|3,0,0]=4 1401 B9R0.2 CCOCCNCC(C)C 2230a_102516460346_100000210760 [1,0,0,0,0,0|3,0,0]=4 1402 B9R0.2 CCOCCNCC(C)C 270004a_102516460346_100000210432 [1,0,0,0,0,0|3,0,0]=4 1403 B9R0.2 CCOCCNCC(C)C 34a_100000210953_100000210147 [1,0,0,0,0,0|3,0,0]=4 1404 B9R0.2 CCOCCNCC(C)C 34a_100015185251_100000210202 [1,0,0,0,0,0|3,0,0]=4 1405 B9R0.2 CCOCCNCC(C)C 34a_102516460346_100000210624 [1,0,0,0,0,0|3,0,0]=4 1406 B9R0.2 CCOCCNCC(C)O 2230a_100000210904_100011215890 [1,0,0,0,0,0|2,0,0]=3 1407 B9R0.2 CCOCCNCC(C)O 2230a_102516460346_100011218427 [1,0,0,0,0,0|2,0,0]=3 1408 B9R0.2 CCOCCNCC(C)O 34a_100000210904_100000210147 [1,0,0,0,0,0|2,0,0]=3 1409 B9R0.2 CCOCCNCC(C)O 34a_102516460346_100011218427 [1,0,0,0,0,0|2,0,0]=3 1410 B9R0.2 CCOCCNC[C@@H](C)O 2230a_102516460346_100009817552 [1,0,0,0,0,0|2,0,0]=3 1411 B9R0.2 CCOCCNC[C@@H](C)O 34a_102516460346_100009817552 [1,0,0,0,0,0|2,0,0]=3 1412 B9R0.2 CCOCCOCC(C)Br 34a_100012180447_100000210147 [1,0,0,0,0,0|3,0,0]=4 1413 B9R0.2 CCOCCOCC(C)C 34a_100000210136_100000210624 [1,0,0,0,0,0|3,0,0]=4 1414 B9R0.2 CCOCCOCC(C)C 34a_100000210257_100000210147 [1,0,0,0,0,0|3,0,0]=4 1415 B9R0.2 CCOCCOCC(C)C 34a_100000703358_100000210202 [1,0,0,0,0,0|3,0,0]=4 1416 B9R0.2 CCOCCOCC(C)C 7a_100000210136_100000210760 [1,0,0,0,0,0|3,0,0]=4 1417 B9R0.2 CCOCCOCC(C)C 7a_100000703358_100000210202 [1,0,0,0,0,0|3,0,0]=4 1418 B9R0.2 CCOCCOCC(C)F 34a_100015925927_100000210147 [1,0,0,0,0,0|3,0,0]=4 1419 B9R0.2 CCOCCOCC(C)O 34a_100000210136_100011218427 [1,0,0,0,0,0|2,0,0]=3 1420 B9R0.2 CCOCCOCC(C)O 7a_100000210136_100011218427 [1,0,0,0,0,0|2,0,0]=3 1421 B9R0.2 CCOCCOC[C@@H](C)Cl 34a_100016084084_100000210147 [1,0,0,0,0,0|3,0,0]=4 1422 B9R0.2 CCOCCOC[C@@H](C)N 34a_100000737577_100000210147 [1,0,0,0,0,0|3,0,0]=4 1423 B9R0.2 CCOCCOC[C@@H](C)O 34a_100000210136_100009817552 [1,0,0,0,0,0|2,0,0]=3 1424 B9R0.2 CCOCCOC[C@@H](C)O 7a_100000210136_100009817552 [1,0,0,0,0,0|2,0,0]=3 1425 B9R0.2 CCOCCSCC(C)C 34a_200000230437_100000210202 [1,0,0,0,0,0|3,0,0]=4 1426 B9R0.2 CCOCCSCC(C)C 62a_100000210147_100000210760 [1,0,0,0,0,0|3,0,0]=4 1427 B9R0.2 CCOCCSCC(C)C 62a_100000210624_100011215890 [1,0,0,0,0,0|3,0,0]=4 1428 B9R0.2 CCOCCSCC(C)C 7a_200000230437_100000210202 [1,0,0,0,0,0|3,0,0]=4 1429 B9R0.2 CCOCCSCC(C)O 62a_100000210147_100011218427 [1,0,0,0,0,0|2,0,0]=3 1430 B9R0.2 CCOCCSCC(C)O 62a_100011218427_100011215890 [1,0,0,0,0,0|2,0,0]=3 1431 B9R0.2 CCOCCSC[C@@H](C)O 62a_100000210147_100009817552 [1,0,0,0,0,0|2,0,0]=3 1432 B9R0.2 CCOCCSC[C@@H](C)O 62a_100009817552_100011215890 [1,0,0,0,0,0|2,0,0]=3 1433 B9R0.2 CCOCSCCC(C)C 62a_100000210312_100000739092 [1,0,0,0,0,0|3,0,0]=4 1434 B9R0.2 CCOCSCCC(C)C 62a_100000739092_100000210312 [1,0,0,0,0,0|3,0,0]=4 1435 B9R0.2 CCOCSCCC(C)O 62a_100000739092_100012276601 [1,0,0,0,0,0|2,0,0]=3 1436 B9R0.2 CCOCSCCC(C)O 62a_100012276601_100000739092 [1,0,0,0,0,0|2,0,0]=3 1437 B9R0.2 CCSCCCCB(O)O 62a_100000210202_200009817182 [1,0,0,0,0,0|3,0,0]=4 1438 B9R0.2 CCSCCCCB(O)O 62a_200009817182_100000210202 [1,0,0,0,0,0|3,0,0]=4 1439 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [1,0,0,0,0,0|1,0,2]=4 1440 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [1,0,0,0,0,0|1,0,2]=4 1441 B9R0.2 CCSCCCCC(C)C 62a_100000210202_100011216152 [1,0,0,0,0,0|2,0,0]=3 1442 B9R0.2 CCSCCCCC(C)C 62a_100011216152_100000210202 [1,0,0,0,0,0|2,0,0]=3 1443 B9R0.2 CCSCCCCN(C)C 62a_100000210202_100000690147 [1,0,0,0,0,0|3,0,0]=4 1444 B9R0.2 CCSCCCOC(C)C 34a_100011216438_100000210206 [1,0,0,0,0,0|3,0,0]=4 1445 B9R0.2 CCSCCCOC(C)C 7a_100011216438_100000210206 [1,0,0,0,0,0|3,0,0]=4 1446 B9R0.2 CCSCCNCC(C)C 2230a_100000106463_100000210760 [1,0,0,0,0,0|3,0,0]=4 1447 B9R0.2 CCSCCNCC(C)C 2230a_100000210953_100000757381 [1,0,0,0,0,0|3,0,0]=4 1448 B9R0.2 CCSCCNCC(C)C 270004a_100000106463_100000210432 [1,0,0,0,0,0|3,0,0]=4 1449 B9R0.2 CCSCCNCC(C)C 34a_100000210953_100000757381 [1,0,0,0,0,0|3,0,0]=4 1450 B9R0.2 CCSCCNCC(C)O 2230a_100000106463_100011218427 [1,0,0,0,0,0|2,0,0]=3 1451 B9R0.2 CCSCCNCC(C)O 2230a_100000210904_100000757381 [1,0,0,0,0,0|2,0,0]=3 1452 B9R0.2 CCSCCNCC(C)O 34a_100000210904_100000757381 [1,0,0,0,0,0|2,0,0]=3 1453 B9R0.2 CCSCCNC[C@@H](C)O 2230a_100000106463_100009817552 [1,0,0,0,0,0|2,0,0]=3 1454 B9R0.2 CCSCCOCC(C)Br 34a_100012180447_100000757381 [1,0,0,0,0,0|3,0,0]=4 1455 B9R0.2 CCSCCOCC(C)C 34a_100000210257_100000757381 [1,0,0,0,0,0|3,0,0]=4 1456 B9R0.2 CCSCCOCC(C)C 34a_100000212035_100000210624 [1,0,0,0,0,0|3,0,0]=4 1457 B9R0.2 CCSCCOCC(C)C 7a_100000212035_100000210760 [1,0,0,0,0,0|3,0,0]=4 1458 B9R0.2 CCSCCOCC(C)F 34a_100015925927_100000757381 [1,0,0,0,0,0|3,0,0]=4 1459 B9R0.2 CCSCCOCC(C)O 34a_100000212035_100011218427 [1,0,0,0,0,0|2,0,0]=3 1460 B9R0.2 CCSCCOCC(C)O 7a_100000212035_100011218427 [1,0,0,0,0,0|2,0,0]=3 1461 B9R0.2 CCSCCOC[C@@H](C)Cl 34a_100016084084_100000757381 [1,0,0,0,0,0|3,0,0]=4 1462 B9R0.2 CCSCCOC[C@@H](C)N 34a_100000737577_100000757381 [1,0,0,0,0,0|3,0,0]=4 1463 B9R0.2 CCSCCOC[C@@H](C)O 34a_100000212035_100009817552 [1,0,0,0,0,0|2,0,0]=3 1464 B9R0.2 CCSCCOC[C@@H](C)O 7a_100000212035_100009817552 [1,0,0,0,0,0|2,0,0]=3 1465 B9R0.2 CCSCCSCC(C)C 62a_100000210624_100000757381 [1,0,0,0,0,0|3,0,0]=4 1466 B9R0.2 CCSCCSCC(C)C 62a_100000757381_100000210760 [1,0,0,0,0,0|3,0,0]=4 1467 B9R0.2 CCSCCSCC(C)O 62a_100000757381_100011218427 [1,0,0,0,0,0|2,0,0]=3 1468 B9R0.2 CCSCCSCC(C)O 62a_100011218427_100000757381 [1,0,0,0,0,0|2,0,0]=3 1469 B9R0.2 CCSCCSC[C@@H](C)O 62a_100000757381_100009817552 [1,0,0,0,0,0|2,0,0]=3 1470 B9R0.2 CCSCCSC[C@@H](C)O 62a_100009817552_100000757381 [1,0,0,0,0,0|2,0,0]=3 1471 B9R0.2 CN(C)CCCCCCF 2230a_100102631434_100015922095 [1,0,0,0,0,0|3,0,0]=4 1472 B9R0.2 CN(C)CCCCCCF 269982a_100102631434_100015922095 [1,0,0,0,0,0|3,0,0]=4 1473 B9R0.2 CN(C)CCCCCCO 2230a_100102631434_100000766143 [1,0,0,0,0,0|3,0,0]=4 1474 B9R0.2 CN(C)CCCCCCO 269982a_100102631434_100000766143 [1,0,0,0,0,0|3,0,0]=4 1475 B9R0.2 CNCCCCCB(O)O 2230a_106832991635_200009817188 [1,0,0,0,0,0|3,0,0]=4 1476 B9R0.2 CNCCCCCB(O)O 34a_100102657272_200009817188 [1,0,0,0,0,0|3,0,0]=4 1477 B9R0.2 CNCCCCCB(O)O 7a_106832991635_200009817188 [1,0,0,0,0,0|3,0,0]=4 1478 B9R0.2 CNCCCCCC(C)C 2230a_100011290863_200000210301 [1,0,0,0,0,0|2,0,0]=3 1479 B9R0.2 CNCCCCCC(C)C 2230a_106832991635_100000210682 [1,0,0,0,0,0|2,0,0]=3 1480 B9R0.2 CNCCCCCC(C)C 34a_100011290863_200000210301 [1,0,0,0,0,0|2,0,0]=3 1481 B9R0.2 CNCCCCCC(C)C 34a_100102657272_100000210682 [1,0,0,0,0,0|2,0,0]=3 1482 B9R0.2 CNCCCCCC(C)C 7a_106832991635_100000210682 [1,0,0,0,0,0|2,0,0]=3 1483 B9R0.2 CNCCCOCC(C)C 2230a_100000205972_200000210301 [1,0,0,0,0,0|3,0,0]=4 1484 B9R0.2 CNCCCOCC(C)C 34a_100000205972_200000210301 [1,0,0,0,0,0|3,0,0]=4 1485 B9R0.2 CNCCCOCC(C)C 34a_100000213112_100000210624 [1,0,0,0,0,0|3,0,0]=4 1486 B9R0.2 CNCCCOCC(C)O 34a_100000213112_100011218427 [1,0,0,0,0,0|2,0,0]=3 1487 B9R0.2 CNCCCOC[C@@H](C)O 34a_100000213112_100009817552 [1,0,0,0,0,0|2,0,0]=3 1488 B9R0.2 COCCCCCB(O)O 34a_100138415774_200009817188 [1,0,0,0,0,0|3,0,0]=4 1489 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [1,0,0,0,0,0|1,0,2]=4 1490 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [1,0,0,0,0,0|1,0,2]=4 1491 B9R0.2 COCCCCCC(C)C 34a_100011995859_200000210301 [1,0,0,0,0,0|2,0,0]=3 1492 B9R0.2 COCCCCCC(C)C 34a_100138415774_100000210682 [1,0,0,0,0,0|2,0,0]=3 1493 B9R0.2 COCCCCCC(C)C 7a_100011995859_200000210301 [1,0,0,0,0,0|2,0,0]=3 1494 B9R0.2 COCCCCNC(C)C 2230a_100138425928_100000730899 [1,0,0,0,0,0|3,0,0]=4 1495 B9R0.2 COCCCCNC(C)C 34a_100011521146_200000210301 [1,0,0,0,0,0|3,0,0]=4 1496 B9R0.2 COCCCCNC(C)C 34a_100138425928_100000755781 [1,0,0,0,0,0|3,0,0]=4 1497 B9R0.2 COCCCCOC(C)C 34a_100000212225_100000755781 [1,0,0,0,0,0|3,0,0]=4 1498 B9R0.2 COCCCCOC(C)C 34a_100000740925_100000210206 [1,0,0,0,0,0|3,0,0]=4 1499 B9R0.2 COCCCCSC(C)C 62a_100000210206_100000730899 [1,0,0,0,0,0|3,0,0]=4 1500 B9R0.2 COCCCCSC(C)C 62a_100000730899_100000210206 [1,0,0,0,0,0|3,0,0]=4 1501 B9R0.2 COCCCNCC(C)C 2230a_100000210953_100000740836 [1,0,0,0,0,0|3,0,0]=4 1502 B9R0.2 COCCCNCC(C)C 270004a_100150723488_100000210432 [1,0,0,0,0,0|3,0,0]=4 1503 B9R0.2 COCCCNCC(C)C 34a_100000210953_100000740836 [1,0,0,0,0,0|3,0,0]=4 1504 B9R0.2 COCCCNCC(C)C 34a_100150723488_100000210624 [1,0,0,0,0,0|3,0,0]=4 1505 B9R0.2 COCCCNCC(C)O 2230a_100000210904_100000740836 [1,0,0,0,0,0|2,0,0]=3 1506 B9R0.2 COCCCNCC(C)O 34a_100000210904_100000740836 [1,0,0,0,0,0|2,0,0]=3 1507 B9R0.2 COCCCNCC(C)O 34a_100150723488_100011218427 [1,0,0,0,0,0|2,0,0]=3 1508 B9R0.2 COCCCNC[C@@H](C)O 34a_100150723488_100009817552 [1,0,0,0,0,0|2,0,0]=3 1509 B9R0.2 COCCCOCC(C)Br 34a_100012180447_100000740836 [1,0,0,0,0,0|3,0,0]=4 1510 B9R0.2 COCCCOCC(C)C 34a_100000210257_100000740836 [1,0,0,0,0,0|3,0,0]=4 1511 B9R0.2 COCCCOCC(C)C 34a_100000740835_100000210624 [1,0,0,0,0,0|3,0,0]=4 1512 B9R0.2 COCCCOCC(C)F 34a_100015925927_100000740836 [1,0,0,0,0,0|3,0,0]=4 1513 B9R0.2 COCCCOCC(C)O 34a_100000740835_100011218427 [1,0,0,0,0,0|2,0,0]=3 1514 B9R0.2 COCCCOC[C@@H](C)Cl 34a_100016084084_100000740836 [1,0,0,0,0,0|3,0,0]=4 1515 B9R0.2 COCCCOC[C@@H](C)N 34a_100000737577_100000740836 [1,0,0,0,0,0|3,0,0]=4 1516 B9R0.2 COCCCOC[C@@H](C)O 34a_100000740835_100009817552 [1,0,0,0,0,0|2,0,0]=3 1517 B9R0.2 COCCCSCC(C)C 62a_100000210624_100000709357 [1,0,0,0,0,0|3,0,0]=4 1518 B9R0.2 COCCCSCC(C)C 62a_100000709357_100000210760 [1,0,0,0,0,0|3,0,0]=4 1519 B9R0.2 COCCCSCC(C)O 62a_100000709357_100011218427 [1,0,0,0,0,0|2,0,0]=3 1520 B9R0.2 COCCCSCC(C)O 62a_100011218427_100000709357 [1,0,0,0,0,0|2,0,0]=3 1521 B9R0.2 COCCCSC[C@@H](C)O 62a_100000709357_100009817552 [1,0,0,0,0,0|2,0,0]=3 1522 B9R0.2 COCCCSC[C@@H](C)O 62a_100009817552_100000709357 [1,0,0,0,0,0|2,0,0]=3 1523 B9R0.2 COCCNCCC(C)C 2230a_100000209980_100000210312 [1,0,0,0,0,0|3,0,0]=4 1524 B9R0.2 COCCNCCC(C)C 269862a_100000209980_100000185833 [1,0,0,0,0,0|3,0,0]=4 1525 B9R0.2 COCCNCCC(C)O 2230a_100000209980_100012276601 [1,0,0,0,0,0|2,0,0]=3 1526 B9R0.2 COCCNCCC(C)O 2230a_200000755665_100011201679 [1,0,0,0,0,0|2,0,0]=3 1527 B9R0.2 COCCOCCC(C)Br 34a_100009893172_100011201679 [1,0,0,0,0,0|3,0,0]=4 1528 B9R0.2 COCCOCCC(C)C 34a_100000210237_100000210312 [1,0,0,0,0,0|3,0,0]=4 1529 B9R0.2 COCCOCCC(C)C 34a_100000210254_100011201679 [1,0,0,0,0,0|3,0,0]=4 1530 B9R0.2 COCCOCCC(C)C 7a_100000210254_100000233755 [1,0,0,0,0,0|3,0,0]=4 1531 B9R0.2 COCCOCCC(C)O 34a_100000210237_100012276601 [1,0,0,0,0,0|2,0,0]=3 1532 B9R0.2 COCCOCC[C@@H](C)N 34a_100000706166_100011201679 [1,0,0,0,0,0|3,0,0]=4 1533 B9R0.2 COCCSCCC(C)C 62a_100000210312_100000233755 [1,0,0,0,0,0|3,0,0]=4 1534 B9R0.2 COCCSCCC(C)C 62a_100000233755_100000210312 [1,0,0,0,0,0|3,0,0]=4 1535 B9R0.2 COCCSCCC(C)O 62a_100000233755_100012276601 [1,0,0,0,0,0|2,0,0]=3 1536 B9R0.2 COCCSCCC(C)O 62a_100012276601_100000233755 [1,0,0,0,0,0|2,0,0]=3 1537 B9R0.2 COCNCCCC(C)C 2230a_200000737386_100000766300 [1,0,0,0,0,0|3,0,0]=4 1538 B9R0.2 COCSCCCC(C)C 62a_100000766300_100011214892 [1,0,0,0,0,0|3,0,0]=4 1539 B9R0.2 COCSCCCC(C)C 62a_100011214892_100000766300 [1,0,0,0,0,0|3,0,0]=4 1540 B9R0.2 COCSCCCC(C)O 62a_100000766300_200000718107 [1,0,0,0,0,0|2,0,0]=3 1541 B9R0.2 COCSCCCC(C)O 62a_200000718107_100000766300 [1,0,0,0,0,0|2,0,0]=3 1542 B9R0.2 CSCCCCCB(O)O 62a_200000210301_200009817188 [1,0,0,0,0,0|3,0,0]=4 1543 B9R0.2 CSCCCCCB(O)O 62a_200009817188_200000210301 [1,0,0,0,0,0|3,0,0]=4 1544 B9R0.2 CSCCCCCC(C)C 62a_100000210682_200000210301 [1,0,0,0,0,0|2,0,0]=3 1545 B9R0.2 CSCCCCCC(C)C 62a_200000210301_100000210682 [1,0,0,0,0,0|2,0,0]=3 1546 B9R0.2 CSCCCCOC(C)C 34a_100011217163_100000210206 [1,0,0,0,0,0|3,0,0]=4 1547 B9R0.2 CSCCCCOC(C)C 7a_100011217163_100000210206 [1,0,0,0,0,0|3,0,0]=4 1548 B9R0.2 CSCCCNCC(C)C 2230a_100000749238_100000210760 [1,0,0,0,0,0|3,0,0]=4 1549 B9R0.2 CSCCCNCC(C)C 270004a_100000749238_100000210432 [1,0,0,0,0,0|3,0,0]=4 1550 B9R0.2 CSCCCNCC(C)O 2230a_100000749238_100011218427 [1,0,0,0,0,0|2,0,0]=3 1551 B9R0.2 CSCCCNC[C@@H](C)O 2230a_100000749238_100009817552 [1,0,0,0,0,0|2,0,0]=3 1552 B9R0.2 CSCCCOCC(C)C 34a_100000690336_100000210624 [1,0,0,0,0,0|3,0,0]=4 1553 B9R0.2 CSCCCOCC(C)C 7a_100000690336_100000210760 [1,0,0,0,0,0|3,0,0]=4 1554 B9R0.2 CSCCCOCC(C)O 34a_100000690336_100011218427 [1,0,0,0,0,0|2,0,0]=3 1555 B9R0.2 CSCCCOCC(C)O 7a_100000690336_100011218427 [1,0,0,0,0,0|2,0,0]=3 1556 B9R0.2 CSCCCOC[C@@H](C)O 34a_100000690336_100009817552 [1,0,0,0,0,0|2,0,0]=3 1557 B9R0.2 CSCCCOC[C@@H](C)O 7a_100000690336_100009817552 [1,0,0,0,0,0|2,0,0]=3 1558 B9R0.2 CSCCNCCC(C)C 2230a_100020590264_100000210312 [1,0,0,0,0,0|3,0,0]=4 1559 B9R0.2 CSCCNCCC(C)C 269862a_100020590264_100000185833 [1,0,0,0,0,0|3,0,0]=4 1560 B9R0.2 CSCCNCCC(C)O 2230a_100020590264_100012276601 [1,0,0,0,0,0|2,0,0]=3 1561 B9R0.2 CSCCNCCC(C)O 2230a_200000755665_100000751147 [1,0,0,0,0,0|2,0,0]=3 1562 B9R0.2 CSCCOCCC(C)Br 34a_100009893172_100000212216 [1,0,0,0,0,0|3,0,0]=4 1563 B9R0.2 CSCCOCCC(C)C 34a_100000210254_100000212216 [1,0,0,0,0,0|3,0,0]=4 1564 B9R0.2 CSCCOCCC(C)C 34a_100000230434_100000210312 [1,0,0,0,0,0|3,0,0]=4 1565 B9R0.2 CSCCOCCC(C)C 7a_100000210254_100000212216 [1,0,0,0,0,0|3,0,0]=4 1566 B9R0.2 CSCCOCCC(C)C 7a_100000230434_100000210626 [1,0,0,0,0,0|3,0,0]=4 1567 B9R0.2 CSCCOCCC(C)O 34a_100000230434_100012276601 [1,0,0,0,0,0|2,0,0]=3 1568 B9R0.2 CSCCOCCC(C)O 7a_100000230434_100012276601 [1,0,0,0,0,0|2,0,0]=3 1569 B9R0.2 CSCCOCC[C@@H](C)N 34a_100000706166_100000212216 [1,0,0,0,0,0|3,0,0]=4 1570 B9R0.2 CSCCSCCC(C)C 62a_100000210312_100000751147 [1,0,0,0,0,0|3,0,0]=4 1571 B9R0.2 CSCCSCCC(C)C 62a_100000212216_100000210312 [1,0,0,0,0,0|3,0,0]=4 1572 B9R0.2 CSCCSCCC(C)O 62a_100000212216_100012276601 [1,0,0,0,0,0|2,0,0]=3 1573 B9R0.2 CSCCSCCC(C)O 62a_100012276601_100000751147 [1,0,0,0,0,0|2,0,0]=3 1574 B9R0.2 CSCNCCCC(C)C 2230a_200000737386_100011218213 [1,0,0,0,0,0|3,0,0]=4 1575 B9R0.2 CSCNCCCC(C)C 34a_200000737386_100011218213 [1,0,0,0,0,0|3,0,0]=4 1576 B9R0.2 CSCOCCCC(C)C 34a_100000210774_100011218213 [1,0,0,0,0,0|3,0,0]=4 1577 B9R0.2 CSCSCCCC(C)C 62a_100011214892_100011218213 [1,0,0,0,0,0|3,0,0]=4 1578 B9R0.2 CSCSCCCC(C)C 62a_100011218213_100011214892 [1,0,0,0,0,0|3,0,0]=4 1579 B9R0.2 CSCSCCCC(C)O 62a_100011218213_200000718107 [1,0,0,0,0,0|2,0,0]=3 1580 B9R0.2 CSCSCCCC(C)O 62a_200000718107_100011218213 [1,0,0,0,0,0|2,0,0]=3 1581 B9R0.2 C[C@@H](Cl)COCCCCF 34a_100016084084_100000729493 [1,0,0,0,0,0|3,0,0]=4 1582 B9R0.2 C[C@@H](Cl)COCCCCO 34a_100016084084_100011216708 [1,0,0,0,0,0|3,0,0]=4 1583 B9R0.2 C[C@@H](N)CCOCCCF 34a_100000706166_100011934791 [1,0,0,0,0,0|3,0,0]=4 1584 B9R0.2 C[C@@H](N)CCOCCCO 34a_100000706166_100000230001 [1,0,0,0,0,0|3,0,0]=4 1585 B9R0.2 C[C@@H](N)COCCCCF 34a_100000737577_100000729493 [1,0,0,0,0,0|3,0,0]=4 1586 B9R0.2 C[C@@H](N)COCCCCO 34a_100000737577_100011216708 [1,0,0,0,0,0|3,0,0]=4 1587 B9R0.2 C[C@@H](O)CNCCCCO 2230a_100000750430_100009817552 [1,0,0,0,0,0|2,0,0]=3 1588 B9R0.2 C[C@@H](O)CNCCCCO 34a_100000750430_100009817552 [1,0,0,0,0,0|2,0,0]=3 1589 B9R0.2 C[C@@H](O)COCCCCBr 34a_100011216708_100009817552 [1,0,0,0,0,0|2,0,0]=3 1590 B9R0.2 C[C@@H](O)COCCCCCl 34a_100000210776_100009817552 [1,0,0,0,0,0|2,0,0]=3 1591 B9R0.2 C[C@@H](O)COCCCCCl 7a_100000210776_100009817552 [1,0,0,0,0,0|2,0,0]=3 1592 B9R0.2 C[C@@H](O)COCCCCF 34a_100011995726_100009817552 [1,0,0,0,0,0|2,0,0]=3 1593 B9R0.2 C[C@@H](O)COCCCCF 7a_100011995726_100009817552 [1,0,0,0,0,0|2,0,0]=3 1594 B9R0.2 C[C@@H](O)COCCCCI 34a_200012148704_100009817552 [1,0,0,0,0,0|2,0,0]=3 1595 B9R0.2 C[C@@H](O)COCCCCN 34a_100000750430_100009817552 [1,0,0,0,0,0|2,0,0]=3 1596 B9R0.2 C[C@@H](O)CSCCCC#N 62a_100000687738_100009817552 [1,0,0,0,0,0|2,0,1]=4 1597 B9R0.2 C[C@@H](O)CSCCCC#N 62a_100009817552_100000687738 [1,0,0,0,0,0|2,0,1]=4 1598 B9R0.2 C[C@@H](O)CSCCCC=O 62a_100009817552_200011292268 [1,0,0,0,0,0|2,0,1]=4 1599 B9R0.2 C[C@@H](O)CSCCCC=O 62a_200011292268_100009817552 [1,0,0,0,0,0|2,0,1]=4 1600 B9R0.2 C[C@@H](O)CSCCCCF 62a_100000729493_100009817552 [1,0,0,0,0,0|2,0,0]=3 1601 B9R0.2 C[C@@H](O)CSCCCCF 62a_100009817552_100000729493 [1,0,0,0,0,0|2,0,0]=3 1602 B9R0.2 C[C@@H](O)CSCCCCO 62a_100000210776_100009817552 [1,0,0,0,0,0|2,0,0]=3 1603 B9R0.2 C[C@@H](O)CSCCCCO 62a_100009817552_100000210776 [1,0,0,0,0,0|2,0,0]=3 1604 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [1,0,0,0,0,0|1,0,2]=4 1605 B9R0.2 [13CH3]SCCCCCB(O)O 62a_200009817188_200025704644 [1,0,0,0,0,0|3,0,0]=4 1606 B9R0.2 [13CH3]SCCCCCB(O)O 62a_200025704644_200009817188 [1,0,0,0,0,0|3,0,0]=4 1607 B9R0.45 C#CCCCCCCNC 2230a_106832991635_100012276617 [1,0,0,0,0,0|1,0,2]=4 1608 B9R0.45 C#CCCCCCCNC 34a_100102657272_100012276617 [1,0,0,0,0,0|1,0,2]=4 1609 B9R0.45 C#CCCCCCCNC 7a_106832991635_100012276617 [1,0,0,0,0,0|1,0,2]=4 1610 B9R0.45 C#CCCCCCCOC 34a_100011217361_200000210301 [1,0,0,0,0,0|1,0,2]=4 1611 B9R0.45 C#CCCCCCCOC 34a_100138415774_100012276617 [1,0,0,0,0,0|1,0,2]=4 1612 B9R0.45 C#CCCCCCCOC 7a_100011217361_200000210301 [1,0,0,0,0,0|1,0,2]=4 1613 B9R0.45 C#CCCCCCCO[13CH3] 34a_100011217361_200025704644 [1,0,0,0,0,0|1,0,2]=4 1614 B9R0.45 C#CCCCCCCO[13CH3] 7a_100011217361_200025704644 [1,0,0,0,0,0|1,0,2]=4 1615 B9R0.45 C#CCCCCCCSC 62a_100012276617_200000210301 [1,0,0,0,0,0|1,0,2]=4 1616 B9R0.45 C#CCCCCCCSC 62a_200000210301_100012276617 [1,0,0,0,0,0|1,0,2]=4 1617 B9R0.45 C#CCCCCCCS[13CH3] 62a_100012276617_200025704644 [1,0,0,0,0,0|1,0,2]=4 1618 B9R0.45 C#CCCCCCCS[13CH3] 62a_200025704644_100012276617 [1,0,0,0,0,0|1,0,2]=4 1619 B9R0.45 C#CCCCCCNCC 2230a_100015525214_100012094781 [1,0,0,0,0,0|1,0,2]=4 1620 B9R0.45 C#CCCCCCOCC 34a_100000766912_100000210202 [1,0,0,0,0,0|1,0,2]=4 1621 B9R0.45 C#CCCCCCOCC 34a_100121572206_100012094781 [1,0,0,0,0,0|1,0,2]=4 1622 B9R0.45 C#CCCCCCOCC 7a_100000766912_100000210202 [1,0,0,0,0,0|1,0,2]=4 1623 B9R0.45 C#CCCCCCSCC 62a_100000210202_100012094781 [1,0,0,0,0,0|1,0,2]=4 1624 B9R0.45 C#CCCCCCSCC 62a_100012094781_100000210202 [1,0,0,0,0,0|1,0,2]=4 1625 B9R0.45 C#CCCCCNCCC 2230a_100000706060_100000210303 [1,0,0,0,0,0|1,0,2]=4 1626 B9R0.45 C#CCCCCNCCC 34a_100000706060_100000210303 [1,0,0,0,0,0|1,0,2]=4 1627 B9R0.45 C#CCCCCOCCC 34a_100000210258_100010269958 [1,0,0,0,0,0|1,0,2]=4 1628 B9R0.45 C#CCCCCOCCC 34a_100000766709_100000210303 [1,0,0,0,0,0|1,0,2]=4 1629 B9R0.45 C#CCCCCOCCC 7a_100000766709_100000210303 [1,0,0,0,0,0|1,0,2]=4 1630 B9R0.45 C#CCCCCSCCC 62a_100000210303_100010269958 [1,0,0,0,0,0|1,0,2]=4 1631 B9R0.45 C#CCCCCSCCC 62a_100010269958_100000210303 [1,0,0,0,0,0|1,0,2]=4 1632 B9R0.45 C#CCCCNCCCC 2230a_100000102301_100000731252 [1,0,0,0,0,0|1,0,2]=4 1633 B9R0.45 C#CCCCNCCCC 34a_100000718082_100000210210 [1,0,0,0,0,0|1,0,2]=4 1634 B9R0.45 C#CCCCNCCCC 7a_106832991798_100011215417 [1,0,0,0,0,0|1,0,2]=4 1635 B9R0.45 C#CCCCOCCCC 34a_100000210227_100000695029 [1,0,0,0,0,0|1,0,2]=4 1636 B9R0.45 C#CCCCOCCCC 34a_100000215630_100000210210 [1,0,0,0,0,0|1,0,2]=4 1637 B9R0.45 C#CCCCOCCCC 7a_100000210227_100011215417 [1,0,0,0,0,0|1,0,2]=4 1638 B9R0.45 C#CCCCOCCCC 7a_100000215630_100000210211 [1,0,0,0,0,0|1,0,2]=4 1639 B9R0.45 C#CCCCSCCCC 62a_100000210211_100011215417 [1,0,0,0,0,0|1,0,2]=4 1640 B9R0.45 C#CCCCSCCCC 62a_100011215417_100000210210 [1,0,0,0,0,0|1,0,2]=4 1641 B9R0.45 C#CCCNCCCCC 2230a_100000209983_100000688953 [1,0,0,0,0,0|1,0,2]=4 1642 B9R0.45 C#CCCNCCCCC 34a_100000755551_100000718602 [1,0,0,0,0,0|1,0,2]=4 1643 B9R0.45 C#CCCOCCCCC 34a_100000210253_100000688953 [1,0,0,0,0,0|1,0,2]=4 1644 B9R0.45 C#CCCOCCCCC 34a_100011215631_100000718602 [1,0,0,0,0,0|1,0,2]=4 1645 B9R0.45 C#CCCOCCCCC 7a_100000210253_100000688953 [1,0,0,0,0,0|1,0,2]=4 1646 B9R0.45 C#CCCSCCCCC 62a_100000210326_100000688953 [1,0,0,0,0,0|1,0,2]=4 1647 B9R0.45 C#CCCSCCCCC 62a_100000688953_100000210326 [1,0,0,0,0,0|1,0,2]=4 1648 B9R0.45 C#CCNCCCCCC 2230a_100000210581_100000038162 [1,0,0,0,0,0|1,0,2]=4 1649 B9R0.45 C#CCNCCCCCC 34a_100000212058_100000210314 [1,0,0,0,0,0|1,0,2]=4 1650 B9R0.45 C#CCOCCCCCC 34a_100000210247_100000210314 [1,0,0,0,0,0|1,0,2]=4 1651 B9R0.45 C#CCOCCCCCC 34a_100000210259_100000184674 [1,0,0,0,0,0|1,0,2]=4 1652 B9R0.45 C#CCOCCCCCC 7a_100000210259_100000038162 [1,0,0,0,0,0|1,0,2]=4 1653 B9R0.45 C#CCSCCCCCC 62a_100000038162_100000210757 [1,0,0,0,0,0|1,0,2]=4 1654 B9R0.45 C/C=C/CCOCCCC 34a_100016278192_100000210210 [1,0,0,0,0,0|1,0,2]=4 1655 B9R0.45 C/C=C/COCCCCC 34a_100000210253_100102629194 [1,0,0,0,0,0|1,0,2]=4 1656 B9R0.45 C/C=C/COCCCCC 34a_100016270725_100000718602 [1,0,0,0,0,0|1,0,2]=4 1657 B9R0.45 C/C=C/COCCCCC 7a_100000210253_100102629194 [1,0,0,0,0,0|1,0,2]=4 1658 B9R0.45 C/C=C/CSCCCCC 62a_100000210326_100102629194 [1,0,0,0,0,0|1,0,2]=4 1659 B9R0.45 C/C=C/CSCCCCC 62a_100102629194_100000210326 [1,0,0,0,0,0|1,0,2]=4 1660 B9R0.45 C=CCCCCCCNC 2230a_106832991635_100011215473 [1,0,0,0,0,0|1,0,2]=4 1661 B9R0.45 C=CCCCCCCNC 34a_100102657272_100011215473 [1,0,0,0,0,0|1,0,2]=4 1662 B9R0.45 C=CCCCCCCNC 7a_106832991635_100011215473 [1,0,0,0,0,0|1,0,2]=4 1663 B9R0.45 C=CCCCCCCOC 34a_100138415774_100011215473 [1,0,0,0,0,0|1,0,2]=4 1664 B9R0.45 C=CCCCCCCOC 34a_200011216477_200000210301 [1,0,0,0,0,0|1,0,2]=4 1665 B9R0.45 C=CCCCCCCOC 7a_200011216477_200000210301 [1,0,0,0,0,0|1,0,2]=4 1666 B9R0.45 C=CCCCCCCO[13CH3] 34a_200011216477_200025704644 [1,0,0,0,0,0|1,0,2]=4 1667 B9R0.45 C=CCCCCCCO[13CH3] 7a_200011216477_200025704644 [1,0,0,0,0,0|1,0,2]=4 1668 B9R0.45 C=CCCCCCCSC 62a_100011215473_200000210301 [1,0,0,0,0,0|1,0,2]=4 1669 B9R0.45 C=CCCCCCCSC 62a_200000210301_100011215473 [1,0,0,0,0,0|1,0,2]=4 1670 B9R0.45 C=CCCCCCCS[13CH3] 62a_100011215473_200025704644 [1,0,0,0,0,0|1,0,2]=4 1671 B9R0.45 C=CCCCCCCS[13CH3] 62a_200025704644_100011215473 [1,0,0,0,0,0|1,0,2]=4 1672 B9R0.45 C=CCCCCCNCC 2230a_100015525214_100000700193 [1,0,0,0,0,0|1,0,2]=4 1673 B9R0.45 C=CCCCCCOCC 34a_100011216702_100000210202 [1,0,0,0,0,0|1,0,2]=4 1674 B9R0.45 C=CCCCCCOCC 34a_100121572206_100000700193 [1,0,0,0,0,0|1,0,2]=4 1675 B9R0.45 C=CCCCCCOCC 7a_100011216702_100000210202 [1,0,0,0,0,0|1,0,2]=4 1676 B9R0.45 C=CCCCCCSCC 62a_100000210202_100000700193 [1,0,0,0,0,0|1,0,2]=4 1677 B9R0.45 C=CCCCCCSCC 62a_100000700193_100000210202 [1,0,0,0,0,0|1,0,2]=4 1678 B9R0.45 C=CCCCCNCCC 2230a_100000703577_100000210303 [1,0,0,0,0,0|1,0,2]=4 1679 B9R0.45 C=CCCCCNCCC 34a_100000703577_100000210303 [1,0,0,0,0,0|1,0,2]=4 1680 B9R0.45 C=CCCCCOCCC 34a_100000210258_100011215482 [1,0,0,0,0,0|1,0,2]=4 1681 B9R0.45 C=CCCCCOCCC 34a_100000766645_100000210303 [1,0,0,0,0,0|1,0,2]=4 1682 B9R0.45 C=CCCCCOCCC 7a_100000766645_100000210303 [1,0,0,0,0,0|1,0,2]=4 1683 B9R0.45 C=CCCCCSCCC 62a_100000210303_100011215482 [1,0,0,0,0,0|1,0,2]=4 1684 B9R0.45 C=CCCCCSCCC 62a_100011215482_100000210303 [1,0,0,0,0,0|1,0,2]=4 1685 B9R0.45 C=CCCCNCCCC 2230a_100000102301_100011713584 [1,0,0,0,0,0|1,0,2]=4 1686 B9R0.45 C=CCCCNCCCC 2230a_100000700776_100000210211 [1,0,0,0,0,0|1,0,2]=4 1687 B9R0.45 C=CCCCNCCCC 34a_100000700776_100000210210 [1,0,0,0,0,0|1,0,2]=4 1688 B9R0.45 C=CCCCNCCCC 7a_106832991798_100000757094 [1,0,0,0,0,0|1,0,2]=4 1689 B9R0.45 C=CCCCOCCCC 34a_100000210227_100000757094 [1,0,0,0,0,0|1,0,2]=4 1690 B9R0.45 C=CCCCOCCCC 34a_100000758997_100000210210 [1,0,0,0,0,0|1,0,2]=4 1691 B9R0.45 C=CCCCOCCCC 7a_100000210227_100000757094 [1,0,0,0,0,0|1,0,2]=4 1692 B9R0.45 C=CCCCOCCCC 7a_100000758997_100000210211 [1,0,0,0,0,0|1,0,2]=4 1693 B9R0.45 C=CCCCSCCCC 62a_100000210211_100000757094 [1,0,0,0,0,0|1,0,2]=4 1694 B9R0.45 C=CCCCSCCCC 62a_100011713584_100000210210 [1,0,0,0,0,0|1,0,2]=4 1695 B9R0.45 C=CCCNCCCCC 2230a_100000209983_100000754431 [1,0,0,0,0,0|1,0,2]=4 1696 B9R0.45 C=CCCNCCCCC 2230a_100015191253_100000210326 [1,0,0,0,0,0|1,0,2]=4 1697 B9R0.45 C=CCCOCCCCC 34a_100000210253_100000754431 [1,0,0,0,0,0|1,0,2]=4 1698 B9R0.45 C=CCCOCCCCC 34a_100011205117_100000718602 [1,0,0,0,0,0|1,0,2]=4 1699 B9R0.45 C=CCCOCCCCC 7a_100000210253_100000754431 [1,0,0,0,0,0|1,0,2]=4 1700 B9R0.45 C=CCCSCCCCC 62a_100000210326_100000754431 [1,0,0,0,0,0|1,0,2]=4 1701 B9R0.45 C=CCCSCCCCC 62a_100000754431_100000210326 [1,0,0,0,0,0|1,0,2]=4 1702 B9R0.45 C=CCNCCCCCC 2230a_100000210581_100000210623 [1,0,0,0,0,0|1,0,2]=4 1703 B9R0.45 C=CCNCCCCCC 2230a_100020586998_100000210314 [1,0,0,0,0,0|1,0,2]=4 1704 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [1,0,0,0,0,0|1,0,2]=4 1705 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [1,0,0,0,0,0|1,0,2]=4 1706 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [1,0,0,0,0,0|1,0,2]=4 1707 B9R0.45 C=CCSCCCCCC 62a_100000210314_100000210623 [1,0,0,0,0,0|1,0,2]=4 1708 B9R0.45 C=CCSCCCCCC 62a_100000210623_100000210757 [1,0,0,0,0,0|1,0,2]=4 1709 B9R0.45 CC#CCCOCCCC 34a_100000750427_100000210210 [1,0,0,0,0,0|1,0,2]=4 1710 B9R0.45 CC#CCNCCCCC 2230a_100000209983_100000748600 [1,0,0,0,0,0|1,0,2]=4 1711 B9R0.45 CC#CCNCCCCC 2230a_100000685387_100000210326 [1,0,0,0,0,0|1,0,2]=4 1712 B9R0.45 CC#CCNCCCCC 34a_100000685387_100000718602 [1,0,0,0,0,0|1,0,2]=4 1713 B9R0.45 CC#CCOCCCCC 34a_100000210253_100000748600 [1,0,0,0,0,0|1,0,2]=4 1714 B9R0.45 CC#CCOCCCCC 34a_100000761923_100000718602 [1,0,0,0,0,0|1,0,2]=4 1715 B9R0.45 CC#CCOCCCCC 7a_100000210253_100000748600 [1,0,0,0,0,0|1,0,2]=4 1716 B9R0.45 CC#CCSCCCCC 62a_100000210326_100000748600 [1,0,0,0,0,0|1,0,2]=4 1717 B9R0.45 CC#CCSCCCCC 62a_100000748600_100000210326 [1,0,0,0,0,0|1,0,2]=4 1718 B9R0.45 CC/C=C/CCCOCC 34a_100016287902_100000210202 [1,0,0,0,0,0|1,0,2]=4 1719 B9R0.45 CC/C=C/CCCOCC 7a_100016287902_100000210202 [1,0,0,0,0,0|1,0,2]=4 1720 B9R0.45 CC/C=C\CCCCOC 34a_100016287862_200000210301 [1,0,0,0,0,0|1,0,2]=4 1721 B9R0.45 CC/C=C\CCCCOC 7a_100016287862_200000210301 [1,0,0,0,0,0|1,0,2]=4 1722 B9R0.45 CC/C=C\CCCCO[13CH3] 34a_100016287862_200025704644 [1,0,0,0,0,0|1,0,2]=4 1723 B9R0.45 CC/C=C\CCCCO[13CH3] 7a_100016287862_200025704644 [1,0,0,0,0,0|1,0,2]=4 1724 B9R0.45 CC/C=C\CCOCCC 34a_100000210258_100015370543 [1,0,0,0,0,0|1,0,2]=4 1725 B9R0.45 CC/C=C\CCOCCC 34a_100016288707_100000210303 [1,0,0,0,0,0|1,0,2]=4 1726 B9R0.45 CC/C=C\CCOCCC 7a_100016288707_100000210303 [1,0,0,0,0,0|1,0,2]=4 1727 B9R0.45 CC/C=C\CCSCCC 62a_100000210303_100015370543 [1,0,0,0,0,0|1,0,2]=4 1728 B9R0.45 CC/C=C\CCSCCC 62a_100015370543_100000210303 [1,0,0,0,0,0|1,0,2]=4 1729 B9R0.45 CC/C=C\CNCCCC 2230a_100000102301_100103147603 [1,0,0,0,0,0|1,0,2]=4 1730 B9R0.45 CC/C=C\CNCCCC 7a_106832991798_100103147603 [1,0,0,0,0,0|1,0,2]=4 1731 B9R0.45 CC/C=C\COCCCC 34a_100000210227_100103147603 [1,0,0,0,0,0|1,0,2]=4 1732 B9R0.45 CC/C=C\COCCCC 34a_100016268518_100000210210 [1,0,0,0,0,0|1,0,2]=4 1733 B9R0.45 CC/C=C\COCCCC 7a_100000210227_100103147603 [1,0,0,0,0,0|1,0,2]=4 1734 B9R0.45 CC/C=C\CSCCCC 62a_100000210211_100103147603 [1,0,0,0,0,0|1,0,2]=4 1735 B9R0.45 CC/C=C\CSCCCC 62a_100103147603_100000210210 [1,0,0,0,0,0|1,0,2]=4 1736 B9R0.45 CC=CCCCOCCC 34a_100020645299_100000210303 [1,0,0,0,0,0|1,0,2]=4 1737 B9R0.45 CC=CCNCCCCC 2230a_100000209983_100000070051 [1,0,0,0,0,0|1,0,2]=4 1738 B9R0.45 CC=CCOCCCCC 34a_100000210253_100000070051 [1,0,0,0,0,0|1,0,2]=4 1739 B9R0.45 CC=CCOCCCCC 7a_100000210253_100000070051 [1,0,0,0,0,0|1,0,2]=4 1740 B9R0.45 CC=CCSCCCCC 62a_100000070051_100000210326 [1,0,0,0,0,0|1,0,2]=4 1741 B9R0.45 CC=CCSCCCCC 62a_100000210326_100000070051 [1,0,0,0,0,0|1,0,2]=4 1742 B9R0.45 CCC#CCCOCCC 34a_100000036655_100000210303 [1,0,0,0,0,0|1,0,2]=4 1743 B9R0.45 CCC#CCCOCCC 7a_100000036655_100000210303 [1,0,0,0,0,0|1,0,2]=4 1744 B9R0.45 CCC#CCNCCCC 2230a_100000102301_100009813939 [1,0,0,0,0,0|1,0,2]=4 1745 B9R0.45 CCC#CCNCCCC 7a_106832991798_100009813939 [1,0,0,0,0,0|1,0,2]=4 1746 B9R0.45 CCC#CCOCCCC 34a_100000032950_100000210210 [1,0,0,0,0,0|1,0,2]=4 1747 B9R0.45 CCC#CCOCCCC 34a_100000210227_100009813939 [1,0,0,0,0,0|1,0,2]=4 1748 B9R0.45 CCC#CCOCCCC 7a_100000210227_100009813939 [1,0,0,0,0,0|1,0,2]=4 1749 B9R0.45 CCC#CCSCCCC 62a_100000210211_100009813939 [1,0,0,0,0,0|1,0,2]=4 1750 B9R0.45 CCC#CCSCCCC 62a_100009813939_100000210210 [1,0,0,0,0,0|1,0,2]=4 1751 B9R0.45 CCC/C=C/COCCC 34a_100016278788_100000210303 [1,0,0,0,0,0|1,0,2]=4 1752 B9R0.45 CCC/C=C/COCCC 7a_100016278788_100000210303 [1,0,0,0,0,0|1,0,2]=4 1753 B9R0.45 CCC=NNCCCCC 4a_100000694160_100000210100 [1,0,0,0,0,0|2,0,1]=4 1754 B9R0.45 CCCC#CCCOCC 34a_100000042726_100000210202 [1,0,0,0,0,0|1,0,2]=4 1755 B9R0.45 CCCC#CCCOCC 7a_100000042726_100000210202 [1,0,0,0,0,0|1,0,2]=4 1756 B9R0.45 CCCC#CCOCCC 34a_100000034806_100000210303 [1,0,0,0,0,0|1,0,2]=4 1757 B9R0.45 CCCC#CCOCCC 7a_100000034806_100000210303 [1,0,0,0,0,0|1,0,2]=4 1758 B9R0.45 CCCC/C=C/COCC 34a_200016272032_100000210202 [1,0,0,0,0,0|1,0,2]=4 1759 B9R0.45 CCCC/C=C/COCC 7a_200016272032_100000210202 [1,0,0,0,0,0|1,0,2]=4 1760 B9R0.45 CCCC/C=C\CCOC 34a_200016286491_200000210301 [1,0,0,0,0,0|1,0,2]=4 1761 B9R0.45 CCCC/C=C\CCOC 7a_200016286491_200000210301 [1,0,0,0,0,0|1,0,2]=4 1762 B9R0.45 CCCC/C=C\CCO[13CH3] 34a_200016286491_200025704644 [1,0,0,0,0,0|1,0,2]=4 1763 B9R0.45 CCCC/C=C\CCO[13CH3] 7a_200016286491_200025704644 [1,0,0,0,0,0|1,0,2]=4 1764 B9R0.45 CCCC=NNCCCC 4a_100025702795_100000185831 [1,0,0,0,0,0|2,0,1]=4 1765 B9R0.45 CCCCC#CCCOC 34a_100000037610_200000210301 [1,0,0,0,0,0|1,0,2]=4 1766 B9R0.45 CCCCC#CCCOC 7a_100000037610_200000210301 [1,0,0,0,0,0|1,0,2]=4 1767 B9R0.45 CCCCC#CCCO[13CH3] 34a_100000037610_200025704644 [1,0,0,0,0,0|1,0,2]=4 1768 B9R0.45 CCCCC#CCCO[13CH3] 7a_100000037610_200025704644 [1,0,0,0,0,0|1,0,2]=4 1769 B9R0.45 CCCCC#CCOCC 34a_200000034558_100000210202 [1,0,0,0,0,0|1,0,2]=4 1770 B9R0.45 CCCCC#CCOCC 7a_200000034558_100000210202 [1,0,0,0,0,0|1,0,2]=4 1771 B9R0.45 CCCCC/C=C/COC 34a_100016258190_200000210301 [1,0,0,0,0,0|1,0,2]=4 1772 B9R0.45 CCCCC/C=C/COC 7a_100016258190_200000210301 [1,0,0,0,0,0|1,0,2]=4 1773 B9R0.45 CCCCC/C=C/CO[13CH3] 34a_100016258190_200025704644 [1,0,0,0,0,0|1,0,2]=4 1774 B9R0.45 CCCCC/C=C/CO[13CH3] 7a_100016258190_200025704644 [1,0,0,0,0,0|1,0,2]=4 1775 B9R0.45 CCCCC=NNCCC 4a_100000740057_100000210104 [1,0,0,0,0,0|2,0,1]=4 1776 B9R0.45 CCCCCC#CCNC 2230a_106832991635_100009816472 [1,0,0,0,0,0|1,0,2]=4 1777 B9R0.45 CCCCCC#CCNC 34a_100102657272_100009816472 [1,0,0,0,0,0|1,0,2]=4 1778 B9R0.45 CCCCCC#CCNC 7a_106832991635_100009816472 [1,0,0,0,0,0|1,0,2]=4 1779 B9R0.45 CCCCCC#CCOC 34a_100138415774_100009816472 [1,0,0,0,0,0|1,0,2]=4 1780 B9R0.45 CCCCCC#CCOC 34a_200000033628_200000210301 [1,0,0,0,0,0|1,0,2]=4 1781 B9R0.45 CCCCCC#CCOC 7a_200000033628_200000210301 [1,0,0,0,0,0|1,0,2]=4 1782 B9R0.45 CCCCCC#CCO[13CH3] 34a_200000033628_200025704644 [1,0,0,0,0,0|1,0,2]=4 1783 B9R0.45 CCCCCC#CCO[13CH3] 7a_200000033628_200025704644 [1,0,0,0,0,0|1,0,2]=4 1784 B9R0.45 CCCCCC#CCSC 62a_100009816472_200000210301 [1,0,0,0,0,0|1,0,2]=4 1785 B9R0.45 CCCCCC#CCSC 62a_200000210301_100009816472 [1,0,0,0,0,0|1,0,2]=4 1786 B9R0.45 CCCCCC#CCS[13CH3] 62a_100009816472_200025704644 [1,0,0,0,0,0|1,0,2]=4 1787 B9R0.45 CCCCCC#CCS[13CH3] 62a_200025704644_100009816472 [1,0,0,0,0,0|1,0,2]=4 1788 B9R0.45 CCCCCC=NNCC 4a_100000756455_100000737632 [1,0,0,0,0,0|2,0,1]=4 1789 B9R0.45 CCCCCCCCNC 2230a_100000229939_200000210301 [1,0,0,0,0,0|1,0,0]=2 1790 B9R0.45 CCCCCCCCNC 2230a_106832991635_100000210759 [1,0,0,0,0,0|1,0,0]=2 1791 B9R0.45 CCCCCCCCNC 34a_100000229939_200000210301 [1,0,0,0,0,0|1,0,0]=2 1792 B9R0.45 CCCCCCCCNC 34a_100102657272_100000210759 [1,0,0,0,0,0|1,0,0]=2 1793 B9R0.45 CCCCCCCCNC 7a_106832991635_100000210759 [1,0,0,0,0,0|1,0,0]=2 1794 B9R0.45 CCCCCCCCN[13CH3] 2230a_100000229939_200025704644 [1,0,0,0,0,0|1,0,0]=2 1795 B9R0.45 CCCCCCCCN[13CH3] 34a_100000229939_200025704644 [1,0,0,0,0,0|1,0,0]=2 1796 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [1,0,0,0,0,0|1,0,0]=2 1797 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [1,0,0,0,0,0|1,0,0]=2 1798 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [1,0,0,0,0,0|1,0,0]=2 1799 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [1,0,0,0,0,0|1,0,0]=2 1800 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [1,0,0,0,0,0|1,0,0]=2 1801 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [1,0,0,0,0,0|1,0,0]=2 1802 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [1,0,0,0,0,0|1,0,0]=2 1803 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [1,0,0,0,0,0|1,0,0]=2 1804 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [1,0,0,0,0,0|1,0,0]=2 1805 B9R0.45 CCCCCCCNCC 2230a_100000229938_100000210202 [1,0,0,0,0,0|1,0,0]=2 1806 B9R0.45 CCCCCCCNCC 2230a_100015525214_100000210681 [1,0,0,0,0,0|1,0,0]=2 1807 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [1,0,0,0,0,0|1,0,0]=2 1808 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [1,0,0,0,0,0|1,0,0]=2 1809 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [1,0,0,0,0,0|1,0,0]=2 1810 B9R0.45 CCCCCCCOCF 34a_100000210272_100015361967 [1,0,0,0,0,0|2,0,0]=3 1811 B9R0.45 CCCCCCCOCF 7a_100000210272_100015361967 [1,0,0,0,0,0|2,0,0]=3 1812 B9R0.45 CCCCCCCSCC 62a_100000210202_100000210316 [1,0,0,0,0,0|1,0,0]=2 1813 B9R0.45 CCCCCCCSCC 62a_100000210614_100000210202 [1,0,0,0,0,0|1,0,0]=2 1814 B9R0.45 CCCCCCCSCF 62a_100000210614_100015361967 [1,0,0,0,0,0|2,0,0]=3 1815 B9R0.45 CCCCCCCSCF 62a_100015361967_100000210316 [1,0,0,0,0,0|2,0,0]=3 1816 B9R0.45 CCCCCCNCC#N 2230a_100000210581_100011215382 [1,0,0,0,0,0|2,0,1]=4 1817 B9R0.45 CCCCCCNCC=O 2230a_100000210581_200015260668 [1,0,0,0,0,0|2,0,1]=4 1818 B9R0.45 CCCCCCNCCC 2230a_100000210581_100000210303 [1,0,0,0,0,0|1,0,0]=2 1819 B9R0.45 CCCCCCNCCF 2230a_100000210581_100011217306 [1,0,0,0,0,0|2,0,0]=3 1820 B9R0.45 CCCCCCNCCF 34a_100000724931_100000210314 [1,0,0,0,0,0|2,0,0]=3 1821 B9R0.45 CCCCCCNCCO 2230a_100000210581_100000211926 [1,0,0,0,0,0|2,0,0]=3 1822 B9R0.45 CCCCCCNCCO 2230a_100016997473_100000210314 [1,0,0,0,0,0|2,0,0]=3 1823 B9R0.45 CCCCCCNCCO 34a_100016990907_100000210314 [1,0,0,0,0,0|2,0,0]=3 1824 B9R0.45 CCCCCCNCOC 2230a_100000210581_100000766300 [1,0,0,0,0,0|2,0,0]=3 1825 B9R0.45 CCCCCCNCSC 2230a_100000210581_100011218213 [1,0,0,0,0,0|2,0,0]=3 1826 B9R0.45 CCCCCCOCC#N 7a_100000210259_100011215382 [1,0,0,0,0,0|2,0,1]=4 1827 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [1,0,0,0,0,0|2,0,1]=4 1828 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [1,0,0,0,0,0|2,0,1]=4 1829 B9R0.45 CCCCCCOCCBr 34a_100000211926_100000210314 [1,0,0,0,0,0|2,0,0]=3 1830 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [1,0,0,0,0,0|1,0,0]=2 1831 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [1,0,0,0,0,0|1,0,0]=2 1832 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [1,0,0,0,0,0|1,0,0]=2 1833 B9R0.45 CCCCCCOCCF 34a_100000210259_100011217306 [1,0,0,0,0,0|2,0,0]=3 1834 B9R0.45 CCCCCCOCCF 7a_100000210259_100011217306 [1,0,0,0,0,0|2,0,0]=3 1835 B9R0.45 CCCCCCOCCN 34a_100000210304_100000210314 [1,0,0,0,0,0|2,0,0]=3 1836 B9R0.45 CCCCCCOCCO 34a_100000210259_100000211926 [1,0,0,0,0,0|2,0,0]=3 1837 B9R0.45 CCCCCCOCCO 7a_100000210259_100000211926 [1,0,0,0,0,0|2,0,0]=3 1838 B9R0.45 CCCCCCOCSC 34a_100000210259_100011218213 [1,0,0,0,0,0|2,0,0]=3 1839 B9R0.45 CCCCCCSCC#N 62a_100000210314_100011215382 [1,0,0,0,0,0|2,0,1]=4 1840 B9R0.45 CCCCCCSCC#N 62a_100011215382_100000210757 [1,0,0,0,0,0|2,0,1]=4 1841 B9R0.45 CCCCCCSCC=O 62a_100000210314_200015260668 [1,0,0,0,0,0|2,0,1]=4 1842 B9R0.45 CCCCCCSCC=O 62a_200015260668_100000210757 [1,0,0,0,0,0|2,0,1]=4 1843 B9R0.45 CCCCCCSCCC 62a_100000210303_100000210757 [1,0,0,0,0,0|1,0,0]=2 1844 B9R0.45 CCCCCCSCCC 62a_100000210314_100000210303 [1,0,0,0,0,0|1,0,0]=2 1845 B9R0.45 CCCCCCSCCF 62a_100000210314_100011217306 [1,0,0,0,0,0|2,0,0]=3 1846 B9R0.45 CCCCCCSCCF 62a_100011217306_100000210757 [1,0,0,0,0,0|2,0,0]=3 1847 B9R0.45 CCCCCCSCCO 62a_100000210314_100000211926 [1,0,0,0,0,0|2,0,0]=3 1848 B9R0.45 CCCCCCSCCO 62a_100000211926_100000210757 [1,0,0,0,0,0|2,0,0]=3 1849 B9R0.45 CCCCCCSCOC 62a_100000210314_100000766300 [1,0,0,0,0,0|2,0,0]=3 1850 B9R0.45 CCCCCCSCOC 62a_100000766300_100000210757 [1,0,0,0,0,0|2,0,0]=3 1851 B9R0.45 CCCCCCSCSC 62a_100000210314_100011218213 [1,0,0,0,0,0|2,0,0]=3 1852 B9R0.45 CCCCCCSCSC 62a_100011218213_100000210757 [1,0,0,0,0,0|2,0,0]=3 1853 B9R0.45 CCCCCNCCC#N 2230a_100000209983_100011215226 [1,0,0,0,0,0|2,0,1]=4 1854 B9R0.45 CCCCCNCCCC 2230a_100000102301_100000210326 [1,0,0,0,0,0|1,0,0]=2 1855 B9R0.45 CCCCCNCCCC 2230a_100000209983_100000210211 [1,0,0,0,0,0|1,0,0]=2 1856 B9R0.45 CCCCCNCCCC 7a_106832991798_100000210326 [1,0,0,0,0,0|1,0,0]=2 1857 B9R0.45 CCCCCNCCCF 2230a_100000209983_100011934791 [1,0,0,0,0,0|2,0,0]=3 1858 B9R0.45 CCCCCNCCCF 2230a_100015189416_100000210326 [1,0,0,0,0,0|2,0,0]=3 1859 B9R0.45 CCCCCNCCCF 34a_100015189416_100000718602 [1,0,0,0,0,0|2,0,0]=3 1860 B9R0.45 CCCCCNCCCO 2230a_100000209983_100000230001 [1,0,0,0,0,0|2,0,0]=3 1861 B9R0.45 CCCCCNCCOC 2230a_100000209980_100000210326 [1,0,0,0,0,0|2,0,0]=3 1862 B9R0.45 CCCCCNCCOC 2230a_100000209983_100011201679 [1,0,0,0,0,0|2,0,0]=3 1863 B9R0.45 CCCCCNCCOC 34a_100000224656_200000210301 [1,0,0,0,0,0|2,0,0]=3 1864 B9R0.45 CCCCCNCCO[13CH3] 34a_100000224656_200025704644 [1,0,0,0,0,0|2,0,0]=3 1865 B9R0.45 CCCCCNCCSC 2230a_100000209983_100000751147 [1,0,0,0,0,0|2,0,0]=3 1866 B9R0.45 CCCCCNCCSC 2230a_100020590264_100000210326 [1,0,0,0,0,0|2,0,0]=3 1867 B9R0.45 CCCCCOCCC#N 7a_100000210253_100000184422 [1,0,0,0,0,0|2,0,1]=4 1868 B9R0.45 CCCCCOCCCBr 34a_100011217188_100000718602 [1,0,0,0,0,0|2,0,0]=3 1869 B9R0.45 CCCCCOCCCC 34a_100000210227_100000718602 [1,0,0,0,0,0|1,0,0]=2 1870 B9R0.45 CCCCCOCCCC 34a_100000210253_100000210210 [1,0,0,0,0,0|1,0,0]=2 1871 B9R0.45 CCCCCOCCCC 7a_100000210227_100000210326 [1,0,0,0,0,0|1,0,0]=2 1872 B9R0.45 CCCCCOCCCC 7a_100000210253_100000210211 [1,0,0,0,0,0|1,0,0]=2 1873 B9R0.45 CCCCCOCCCCl 34a_100000230001_100000718602 [1,0,0,0,0,0|2,0,0]=3 1874 B9R0.45 CCCCCOCCCF 34a_100000210253_100011934791 [1,0,0,0,0,0|2,0,0]=3 1875 B9R0.45 CCCCCOCCCF 34a_100000759539_100000718602 [1,0,0,0,0,0|2,0,0]=3 1876 B9R0.45 CCCCCOCCCF 7a_100000210253_100011934791 [1,0,0,0,0,0|2,0,0]=3 1877 B9R0.45 CCCCCOCCCN 34a_100000182051_100000718602 [1,0,0,0,0,0|2,0,0]=3 1878 B9R0.45 CCCCCOCCCO 34a_100000210253_100000230001 [1,0,0,0,0,0|2,0,0]=3 1879 B9R0.45 CCCCCOCCCO 7a_100000210253_100011215043 [1,0,0,0,0,0|2,0,0]=3 1880 B9R0.45 CCCCCOCCOC 34a_100000210237_100000718602 [1,0,0,0,0,0|2,0,0]=3 1881 B9R0.45 CCCCCOCCOC 34a_100000210253_100011201679 [1,0,0,0,0,0|2,0,0]=3 1882 B9R0.45 CCCCCOCCOC 34a_100011215259_200000210301 [1,0,0,0,0,0|2,0,0]=3 1883 B9R0.45 CCCCCOCCOC 7a_100000210253_100000233755 [1,0,0,0,0,0|2,0,0]=3 1884 B9R0.45 CCCCCOCCOC 7a_100011215259_200000210301 [1,0,0,0,0,0|2,0,0]=3 1885 B9R0.45 CCCCCOCCON 34a_100000700252_100000718602 [1,0,0,0,0,0|3,0,0]=4 1886 B9R0.45 CCCCCOCCO[13CH3] 34a_100011215259_200025704644 [1,0,0,0,0,0|2,0,0]=3 1887 B9R0.45 CCCCCOCCO[13CH3] 7a_100011215259_200025704644 [1,0,0,0,0,0|2,0,0]=3 1888 B9R0.45 CCCCCOCCSC 34a_100000210253_100000212216 [1,0,0,0,0,0|2,0,0]=3 1889 B9R0.45 CCCCCOCCSC 34a_100000230434_100000718602 [1,0,0,0,0,0|2,0,0]=3 1890 B9R0.45 CCCCCOCCSC 7a_100000210253_100000212216 [1,0,0,0,0,0|2,0,0]=3 1891 B9R0.45 CCCCCOCCSC 7a_100000230434_100000210326 [1,0,0,0,0,0|2,0,0]=3 1892 B9R0.45 CCCCCSCCC#N 62a_100000210326_100011215226 [1,0,0,0,0,0|2,0,1]=4 1893 B9R0.45 CCCCCSCCC#N 62a_100011215226_100000210326 [1,0,0,0,0,0|2,0,1]=4 1894 B9R0.45 CCCCCSCCCC 62a_100000210211_100000210326 [1,0,0,0,0,0|1,0,0]=2 1895 B9R0.45 CCCCCSCCCC 62a_100000210326_100000210210 [1,0,0,0,0,0|1,0,0]=2 1896 B9R0.45 CCCCCSCCCF 62a_100000210326_100011934791 [1,0,0,0,0,0|2,0,0]=3 1897 B9R0.45 CCCCCSCCCF 62a_100011934791_100000210326 [1,0,0,0,0,0|2,0,0]=3 1898 B9R0.45 CCCCCSCCCO 62a_100000210326_100011215043 [1,0,0,0,0,0|2,0,0]=3 1899 B9R0.45 CCCCCSCCCO 62a_100011215043_100000210326 [1,0,0,0,0,0|2,0,0]=3 1900 B9R0.45 CCCCCSCCOC 62a_100000210326_100000233755 [1,0,0,0,0,0|2,0,0]=3 1901 B9R0.45 CCCCCSCCOC 62a_100000233755_100000210326 [1,0,0,0,0,0|2,0,0]=3 1902 B9R0.45 CCCCCSCCSC 62a_100000210326_100000751147 [1,0,0,0,0,0|2,0,0]=3 1903 B9R0.45 CCCCCSCCSC 62a_100000212216_100000210326 [1,0,0,0,0,0|2,0,0]=3 1904 B9R0.45 CCCCCSCOCC 62a_100000210326_100000739092 [1,0,0,0,0,0|2,0,0]=3 1905 B9R0.45 CCCCCSCOCC 62a_100000739092_100000210326 [1,0,0,0,0,0|2,0,0]=3 1906 B9R0.45 CCCCNCCCC#N 2230a_100000102301_100000687738 [1,0,0,0,0,0|2,0,1]=4 1907 B9R0.45 CCCCNCCCC#N 7a_106832991798_100000687738 [1,0,0,0,0,0|2,0,1]=4 1908 B9R0.45 CCCCNCCCC=O 2230a_100000102301_200011292268 [1,0,0,0,0,0|2,0,1]=4 1909 B9R0.45 CCCCNCCCC=O 7a_106832991798_200011292268 [1,0,0,0,0,0|2,0,1]=4 1910 B9R0.45 CCCCNCCCCF 2230a_100000102301_100000729493 [1,0,0,0,0,0|2,0,0]=3 1911 B9R0.45 CCCCNCCCCF 7a_106832991798_100000729493 [1,0,0,0,0,0|2,0,0]=3 1912 B9R0.45 CCCCNCCCCO 2230a_100000102301_100000210776 [1,0,0,0,0,0|2,0,0]=3 1913 B9R0.45 CCCCNCCCCO 2230a_100000750430_100000210211 [1,0,0,0,0,0|2,0,0]=3 1914 B9R0.45 CCCCNCCCCO 34a_100000750430_100000210210 [1,0,0,0,0,0|2,0,0]=3 1915 B9R0.45 CCCCNCCCCO 7a_106832991798_100000210776 [1,0,0,0,0,0|2,0,0]=3 1916 B9R0.45 CCCCNCCCOC 2230a_100000102301_100000740836 [1,0,0,0,0,0|2,0,0]=3 1917 B9R0.45 CCCCNCCCOC 34a_100150723488_100000210210 [1,0,0,0,0,0|2,0,0]=3 1918 B9R0.45 CCCCNCCCOC 7a_106832991798_100000740836 [1,0,0,0,0,0|2,0,0]=3 1919 B9R0.45 CCCCNCCCSC 2230a_100000749238_100000210211 [1,0,0,0,0,0|2,0,0]=3 1920 B9R0.45 CCCCNCCOCC 2230a_100000102301_100011215890 [1,0,0,0,0,0|2,0,0]=3 1921 B9R0.45 CCCCNCCOCC 2230a_102516460346_100000210211 [1,0,0,0,0,0|2,0,0]=3 1922 B9R0.45 CCCCNCCOCC 34a_102516460346_100000210210 [1,0,0,0,0,0|2,0,0]=3 1923 B9R0.45 CCCCNCCOCC 7a_106832991798_100011215890 [1,0,0,0,0,0|2,0,0]=3 1924 B9R0.45 CCCCNCCSCC 2230a_100000102301_100000757381 [1,0,0,0,0,0|2,0,0]=3 1925 B9R0.45 CCCCNCCSCC 2230a_100000106463_100000210211 [1,0,0,0,0,0|2,0,0]=3 1926 B9R0.45 CCCCNCCSCC 7a_106832991798_100000757381 [1,0,0,0,0,0|2,0,0]=3 1927 B9R0.45 CCCCOCCCC#N 7a_100000210227_100000687738 [1,0,0,0,0,0|2,0,1]=4 1928 B9R0.45 CCCCOCCCC=O 7a_100000210227_200011292268 [1,0,0,0,0,0|2,0,1]=4 1929 B9R0.45 CCCCOCCCCBr 34a_100011216708_100000210210 [1,0,0,0,0,0|2,0,0]=3 1930 B9R0.45 CCCCOCCCCCl 34a_100000210776_100000210210 [1,0,0,0,0,0|2,0,0]=3 1931 B9R0.45 CCCCOCCCCCl 7a_100000210776_100000210211 [1,0,0,0,0,0|2,0,0]=3 1932 B9R0.45 CCCCOCCCCF 34a_100000210227_100000729493 [1,0,0,0,0,0|2,0,0]=3 1933 B9R0.45 CCCCOCCCCF 34a_100011995726_100000210210 [1,0,0,0,0,0|2,0,0]=3 1934 B9R0.45 CCCCOCCCCF 7a_100000210227_100000729493 [1,0,0,0,0,0|2,0,0]=3 1935 B9R0.45 CCCCOCCCCF 7a_100011995726_100000210211 [1,0,0,0,0,0|2,0,0]=3 1936 B9R0.45 CCCCOCCCCI 34a_200012148704_100000210210 [1,0,0,0,0,0|2,0,0]=3 1937 B9R0.45 CCCCOCCCCN 34a_100000750430_100000210210 [1,0,0,0,0,0|2,0,0]=3 1938 B9R0.45 CCCCOCCCCO 34a_100000210227_100011216708 [1,0,0,0,0,0|2,0,0]=3 1939 B9R0.45 CCCCOCCCCO 7a_100000210227_100000210776 [1,0,0,0,0,0|2,0,0]=3 1940 B9R0.45 CCCCOCCCNC 2230a_200000211371_200000210301 [1,0,0,0,0,0|2,0,0]=3 1941 B9R0.45 CCCCOCCCNC 34a_100000213112_100000210210 [1,0,0,0,0,0|2,0,0]=3 1942 B9R0.45 CCCCOCCCNC 34a_200000211371_200000210301 [1,0,0,0,0,0|2,0,0]=3 1943 B9R0.45 CCCCOCCCN[13CH3] 2230a_200000211371_200025704644 [1,0,0,0,0,0|2,0,0]=3 1944 B9R0.45 CCCCOCCCN[13CH3] 34a_200000211371_200025704644 [1,0,0,0,0,0|2,0,0]=3 1945 B9R0.45 CCCCOCCCOC 34a_100000210227_100000740836 [1,0,0,0,0,0|2,0,0]=3 1946 B9R0.45 CCCCOCCCOC 34a_100000740835_100000210210 [1,0,0,0,0,0|2,0,0]=3 1947 B9R0.45 CCCCOCCCOC 34a_200011215613_200000210301 [1,0,0,0,0,0|2,0,0]=3 1948 B9R0.45 CCCCOCCCOC 7a_100000210227_100000740836 [1,0,0,0,0,0|2,0,0]=3 1949 B9R0.45 CCCCOCCCOC 7a_200011215613_200000210301 [1,0,0,0,0,0|2,0,0]=3 1950 B9R0.45 CCCCOCCCO[13CH3] 34a_200011215613_200025704644 [1,0,0,0,0,0|2,0,0]=3 1951 B9R0.45 CCCCOCCCO[13CH3] 7a_200011215613_200025704644 [1,0,0,0,0,0|2,0,0]=3 1952 B9R0.45 CCCCOCCCSC 34a_100000690336_100000210210 [1,0,0,0,0,0|2,0,0]=3 1953 B9R0.45 CCCCOCCCSC 7a_100000690336_100000210211 [1,0,0,0,0,0|2,0,0]=3 1954 B9R0.45 CCCCOCCNCC 2230a_100015525214_100000743108 [1,0,0,0,0,0|2,0,0]=3 1955 B9R0.45 CCCCOCCOCC 34a_100000210136_100000210210 [1,0,0,0,0,0|2,0,0]=3 1956 B9R0.45 CCCCOCCOCC 34a_100000210227_100000210147 [1,0,0,0,0,0|2,0,0]=3 1957 B9R0.45 CCCCOCCOCC 34a_100000210238_100000210202 [1,0,0,0,0,0|2,0,0]=3 1958 B9R0.45 CCCCOCCOCC 34a_100121572206_100000743108 [1,0,0,0,0,0|2,0,0]=3 1959 B9R0.45 CCCCOCCOCC 7a_100000210136_100000210211 [1,0,0,0,0,0|2,0,0]=3 1960 B9R0.45 CCCCOCCOCC 7a_100000210227_100011215890 [1,0,0,0,0,0|2,0,0]=3 1961 B9R0.45 CCCCOCCOCC 7a_100000210238_100000210202 [1,0,0,0,0,0|2,0,0]=3 1962 B9R0.45 CCCCOCCOCF 34a_100000210238_100015361967 [1,0,0,0,0,0|3,0,0]=4 1963 B9R0.45 CCCCOCCOCF 7a_100000210238_100015361967 [1,0,0,0,0,0|3,0,0]=4 1964 B9R0.45 CCCCOCCSCC 34a_100000210227_100000757381 [1,0,0,0,0,0|2,0,0]=3 1965 B9R0.45 CCCCOCCSCC 34a_100000212035_100000210210 [1,0,0,0,0,0|2,0,0]=3 1966 B9R0.45 CCCCOCCSCC 62a_100000210202_100000743108 [1,0,0,0,0,0|2,0,0]=3 1967 B9R0.45 CCCCOCCSCC 62a_100000743108_100000210202 [1,0,0,0,0,0|2,0,0]=3 1968 B9R0.45 CCCCOCCSCC 7a_100000210227_100000757381 [1,0,0,0,0,0|2,0,0]=3 1969 B9R0.45 CCCCOCCSCC 7a_100000212035_100000210211 [1,0,0,0,0,0|2,0,0]=3 1970 B9R0.45 CCCCOCCSCF 62a_100000743108_100015361967 [1,0,0,0,0,0|3,0,0]=4 1971 B9R0.45 CCCCOCCSCF 62a_100015361967_100000743108 [1,0,0,0,0,0|3,0,0]=4 1972 B9R0.45 CCCCOCNCCF 34a_100000724931_100011995733 [1,0,0,0,0,0|3,0,0]=4 1973 B9R0.45 CCCCOCNCCO 2230a_100016997473_100011995733 [1,0,0,0,0,0|3,0,0]=4 1974 B9R0.45 CCCCOCNCCO 34a_100016990907_100011995733 [1,0,0,0,0,0|3,0,0]=4 1975 B9R0.45 CCCCOCOCCBr 34a_100000211926_100011995733 [1,0,0,0,0,0|3,0,0]=4 1976 B9R0.45 CCCCOCOCCC 34a_100000210258_100011995733 [1,0,0,0,0,0|2,0,0]=3 1977 B9R0.45 CCCCOCOCCN 34a_100000210304_100011995733 [1,0,0,0,0,0|3,0,0]=4 1978 B9R0.45 CCCCOCSCCC 62a_100000210303_100011995733 [1,0,0,0,0,0|2,0,0]=3 1979 B9R0.45 CCCCOCSCCC 62a_100011995733_100000210303 [1,0,0,0,0,0|2,0,0]=3 1980 B9R0.45 CCCCOCSCCF 62a_100011217306_100011995733 [1,0,0,0,0,0|3,0,0]=4 1981 B9R0.45 CCCCOCSCCF 62a_100011995733_100011217306 [1,0,0,0,0,0|3,0,0]=4 1982 B9R0.45 CCCCOCSCCO 62a_100000211926_100011995733 [1,0,0,0,0,0|3,0,0]=4 1983 B9R0.45 CCCCOCSCCO 62a_100011995733_100000211926 [1,0,0,0,0,0|3,0,0]=4 1984 B9R0.45 CCCCOCSCOC 62a_100000766300_100011995733 [1,0,0,0,0,0|3,0,0]=4 1985 B9R0.45 CCCCOCSCOC 62a_100011995733_100000766300 [1,0,0,0,0,0|3,0,0]=4 1986 B9R0.45 CCCCOCSCSC 62a_100011218213_100011995733 [1,0,0,0,0,0|3,0,0]=4 1987 B9R0.45 CCCCOCSCSC 62a_100011995733_100011218213 [1,0,0,0,0,0|3,0,0]=4 1988 B9R0.45 CCCCSCCCC#N 62a_100000210211_100000687738 [1,0,0,0,0,0|2,0,1]=4 1989 B9R0.45 CCCCSCCCC#N 62a_100000687738_100000210210 [1,0,0,0,0,0|2,0,1]=4 1990 B9R0.45 CCCCSCCCC=O 62a_100000210211_200011292268 [1,0,0,0,0,0|2,0,1]=4 1991 B9R0.45 CCCCSCCCC=O 62a_200011292268_100000210210 [1,0,0,0,0,0|2,0,1]=4 1992 B9R0.45 CCCCSCCCCF 62a_100000210211_100000729493 [1,0,0,0,0,0|2,0,0]=3 1993 B9R0.45 CCCCSCCCCF 62a_100000729493_100000210210 [1,0,0,0,0,0|2,0,0]=3 1994 B9R0.45 CCCCSCCCCO 62a_100000210211_100000210776 [1,0,0,0,0,0|2,0,0]=3 1995 B9R0.45 CCCCSCCCCO 62a_100000210776_100000210210 [1,0,0,0,0,0|2,0,0]=3 1996 B9R0.45 CCCCSCCCOC 62a_100000210211_100000709357 [1,0,0,0,0,0|2,0,0]=3 1997 B9R0.45 CCCCSCCCOC 62a_100000709357_100000210210 [1,0,0,0,0,0|2,0,0]=3 1998 B9R0.45 CCCCSCCNCC 2230a_100025743550_100000210202 [1,0,0,0,0,0|2,0,0]=3 1999 B9R0.45 CCCCSCCOCC 34a_200000230436_100000210202 [1,0,0,0,0,0|2,0,0]=3 2000 B9R0.45 CCCCSCCOCC 62a_100000210147_100000210210 [1,0,0,0,0,0|2,0,0]=3 2001 B9R0.45 CCCCSCCOCC 62a_100000210211_100011215890 [1,0,0,0,0,0|2,0,0]=3 2002 B9R0.45 CCCCSCCOCC 7a_200000230436_100000210202 [1,0,0,0,0,0|2,0,0]=3 2003 B9R0.45 CCCCSCCOCF 34a_200000230436_100015361967 [1,0,0,0,0,0|3,0,0]=4 2004 B9R0.45 CCCCSCCOCF 7a_200000230436_100015361967 [1,0,0,0,0,0|3,0,0]=4 2005 B9R0.45 CCCCSCCSCC 62a_100000210211_100000757381 [1,0,0,0,0,0|2,0,0]=3 2006 B9R0.45 CCCCSCCSCC 62a_100000757381_100000210210 [1,0,0,0,0,0|2,0,0]=3 2007 B9R0.45 CCCNCCCCCO 2230a_100000762737_100000210303 [1,0,0,0,0,0|2,0,0]=3 2008 B9R0.45 CCCNCCCCCO 34a_100000762737_100000210303 [1,0,0,0,0,0|2,0,0]=3 2009 B9R0.45 CCCNCCCOCC 2230a_100000210961_100000210303 [1,0,0,0,0,0|2,0,0]=3 2010 B9R0.45 CCCNCCCOCC 34a_100000210961_100000210303 [1,0,0,0,0,0|2,0,0]=3 2011 B9R0.45 CCCNCCOCCC 2230a_100161115042_100000210303 [1,0,0,0,0,0|2,0,0]=3 2012 B9R0.45 CCCNCCOCCC 34a_100161115042_100000210303 [1,0,0,0,0,0|2,0,0]=3 2013 B9R0.45 CCCNCCOCCO 2230a_100000211614_100000210303 [1,0,0,0,0,0|3,0,0]=4 2014 B9R0.45 CCCNCCOCCO 34a_100000211614_100000210303 [1,0,0,0,0,0|3,0,0]=4 2015 B9R0.45 CCCNCCSCCC 2230a_100020603323_100000210303 [1,0,0,0,0,0|2,0,0]=3 2016 B9R0.45 CCCNCCSCCO 2230a_100011219999_100000210303 [1,0,0,0,0,0|3,0,0]=4 2017 B9R0.45 CCCOCCCCCBr 34a_100000746331_100000210303 [1,0,0,0,0,0|2,0,0]=3 2018 B9R0.45 CCCOCCCCCBr 7a_100000746331_100000210303 [1,0,0,0,0,0|2,0,0]=3 2019 B9R0.45 CCCOCCCCCCl 34a_100000746330_100000210303 [1,0,0,0,0,0|2,0,0]=3 2020 B9R0.45 CCCOCCCCCCl 7a_100000746330_100000210303 [1,0,0,0,0,0|2,0,0]=3 2021 B9R0.45 CCCOCCCCCF 34a_100000210258_100000729378 [1,0,0,0,0,0|2,0,0]=3 2022 B9R0.45 CCCOCCCCCI 34a_200012148887_100000210303 [1,0,0,0,0,0|2,0,0]=3 2023 B9R0.45 CCCOCCCCCI 7a_200012148887_100000210303 [1,0,0,0,0,0|2,0,0]=3 2024 B9R0.45 CCCOCCCCCN 34a_100000762737_100000210303 [1,0,0,0,0,0|2,0,0]=3 2025 B9R0.45 CCCOCCCCCO 34a_100000210258_100000746330 [1,0,0,0,0,0|2,0,0]=3 2026 B9R0.45 CCCOCCCCOC 34a_100000210258_100000755781 [1,0,0,0,0,0|2,0,0]=3 2027 B9R0.45 CCCOCCCCOC 34a_100000740925_100000210303 [1,0,0,0,0,0|2,0,0]=3 2028 B9R0.45 CCCOCCCCSC 34a_100011217163_100000210303 [1,0,0,0,0,0|2,0,0]=3 2029 B9R0.45 CCCOCCCCSC 7a_100011217163_100000210303 [1,0,0,0,0,0|2,0,0]=3 2030 B9R0.45 CCCOCCCNCC 2230a_100011217757_100000210202 [1,0,0,0,0,0|2,0,0]=3 2031 B9R0.45 CCCOCCCNCC 34a_100011217757_100000210202 [1,0,0,0,0,0|2,0,0]=3 2032 B9R0.45 CCCOCCCNCF 34a_100011217757_100015361967 [1,0,0,0,0,0|3,0,0]=4 2033 B9R0.45 CCCOCCCOCC 34a_100000210258_100012232248 [1,0,0,0,0,0|2,0,0]=3 2034 B9R0.45 CCCOCCCOCC 34a_100000757476_100000210303 [1,0,0,0,0,0|2,0,0]=3 2035 B9R0.45 CCCOCCCOCC 7a_100000757476_100000210303 [1,0,0,0,0,0|2,0,0]=3 2036 B9R0.45 CCCOCCCSCC 34a_100011216438_100000210303 [1,0,0,0,0,0|2,0,0]=3 2037 B9R0.45 CCCOCCCSCC 7a_100011216438_100000210303 [1,0,0,0,0,0|2,0,0]=3 2038 B9R0.45 CCCOCCNCCF 2230a_100161115042_100011217306 [1,0,0,0,0,0|3,0,0]=4 2039 B9R0.45 CCCOCCNCCF 34a_100000724931_100011215938 [1,0,0,0,0,0|3,0,0]=4 2040 B9R0.45 CCCOCCNCCF 34a_100161115042_100011217306 [1,0,0,0,0,0|3,0,0]=4 2041 B9R0.45 CCCOCCNCCO 2230a_100016997473_100011215938 [1,0,0,0,0,0|3,0,0]=4 2042 B9R0.45 CCCOCCNCCO 2230a_100161115042_100000211926 [1,0,0,0,0,0|3,0,0]=4 2043 B9R0.45 CCCOCCNCCO 34a_100016990907_100011215938 [1,0,0,0,0,0|3,0,0]=4 2044 B9R0.45 CCCOCCNCCO 34a_100161115042_100000211926 [1,0,0,0,0,0|3,0,0]=4 2045 B9R0.45 CCCOCCNCOC 2230a_100161115042_100000766300 [1,0,0,0,0,0|3,0,0]=4 2046 B9R0.45 CCCOCCNCSC 2230a_100161115042_100011218213 [1,0,0,0,0,0|3,0,0]=4 2047 B9R0.45 CCCOCCNCSC 34a_100161115042_100011218213 [1,0,0,0,0,0|3,0,0]=4 2048 B9R0.45 CCCOCCOCCBr 34a_100000211926_100011215938 [1,0,0,0,0,0|3,0,0]=4 2049 B9R0.45 CCCOCCOCCBr 34a_100000692535_100000210303 [1,0,0,0,0,0|3,0,0]=4 2050 B9R0.45 CCCOCCOCCBr 7a_100000692535_100000210303 [1,0,0,0,0,0|3,0,0]=4 2051 B9R0.45 CCCOCCOCCC 34a_100000210258_100011215938 [1,0,0,0,0,0|2,0,0]=3 2052 B9R0.45 CCCOCCOCCC 34a_100000752267_100000210303 [1,0,0,0,0,0|2,0,0]=3 2053 B9R0.45 CCCOCCOCCC 7a_100000752267_100000210303 [1,0,0,0,0,0|2,0,0]=3 2054 B9R0.45 CCCOCCOCCCl 34a_100011215305_100000210303 [1,0,0,0,0,0|3,0,0]=4 2055 B9R0.45 CCCOCCOCCCl 7a_100011215305_100000210303 [1,0,0,0,0,0|3,0,0]=4 2056 B9R0.45 CCCOCCOCCF 34a_100000752267_100011217306 [1,0,0,0,0,0|3,0,0]=4 2057 B9R0.45 CCCOCCOCCF 34a_200015357709_100000210303 [1,0,0,0,0,0|3,0,0]=4 2058 B9R0.45 CCCOCCOCCF 7a_100000752267_100011217306 [1,0,0,0,0,0|3,0,0]=4 2059 B9R0.45 CCCOCCOCCF 7a_200015357709_100000210303 [1,0,0,0,0,0|3,0,0]=4 2060 B9R0.45 CCCOCCOCCI 34a_100012149058_100000210303 [1,0,0,0,0,0|3,0,0]=4 2061 B9R0.45 CCCOCCOCCI 7a_100012149058_100000210303 [1,0,0,0,0,0|3,0,0]=4 2062 B9R0.45 CCCOCCOCCN 34a_100000210304_100011215938 [1,0,0,0,0,0|3,0,0]=4 2063 B9R0.45 CCCOCCOCCN 34a_100000211614_100000210303 [1,0,0,0,0,0|3,0,0]=4 2064 B9R0.45 CCCOCCOCCO 34a_100000210258_100000692535 [1,0,0,0,0,0|3,0,0]=4 2065 B9R0.45 CCCOCCOCCO 34a_100000752267_100000211926 [1,0,0,0,0,0|3,0,0]=4 2066 B9R0.45 CCCOCCOCCO 7a_100000752267_100000211926 [1,0,0,0,0,0|3,0,0]=4 2067 B9R0.45 CCCOCCOCSC 34a_100000752267_100011218213 [1,0,0,0,0,0|3,0,0]=4 2068 B9R0.45 CCCOCCSCCC 34a_200000230433_100000210303 [1,0,0,0,0,0|2,0,0]=3 2069 B9R0.45 CCCOCCSCCC 62a_100000210303_100011215938 [1,0,0,0,0,0|2,0,0]=3 2070 B9R0.45 CCCOCCSCCC 62a_100011215938_100000210303 [1,0,0,0,0,0|2,0,0]=3 2071 B9R0.45 CCCOCCSCCC 7a_200000230433_100000210303 [1,0,0,0,0,0|2,0,0]=3 2072 B9R0.45 CCCOCCSCCF 62a_100011215938_100011217306 [1,0,0,0,0,0|3,0,0]=4 2073 B9R0.45 CCCOCCSCCF 62a_100011217306_100011215938 [1,0,0,0,0,0|3,0,0]=4 2074 B9R0.45 CCCOCCSCCO 62a_100000211926_100011215938 [1,0,0,0,0,0|3,0,0]=4 2075 B9R0.45 CCCOCCSCCO 62a_100011215938_100000211926 [1,0,0,0,0,0|3,0,0]=4 2076 B9R0.45 CCCOCCSCOC 62a_100000766300_100011215938 [1,0,0,0,0,0|3,0,0]=4 2077 B9R0.45 CCCOCCSCOC 62a_100011215938_100000766300 [1,0,0,0,0,0|3,0,0]=4 2078 B9R0.45 CCCOCCSCSC 62a_100011215938_100011218213 [1,0,0,0,0,0|3,0,0]=4 2079 B9R0.45 CCCOCCSCSC 62a_100011218213_100011215938 [1,0,0,0,0,0|3,0,0]=4 2080 B9R0.45 CCCSCCCCC#N 62a_100000210303_100000211819 [1,0,0,0,0,0|2,0,1]=4 2081 B9R0.45 CCCSCCCCC#N 62a_100011219923_100000210303 [1,0,0,0,0,0|2,0,1]=4 2082 B9R0.45 CCCSCCCCC=O 62a_100000139335_100000210303 [1,0,0,0,0,0|2,0,1]=4 2083 B9R0.45 CCCSCCCCC=O 62a_100000210303_100000139335 [1,0,0,0,0,0|2,0,1]=4 2084 B9R0.45 CCCSCCCCCF 62a_100000210303_100000729378 [1,0,0,0,0,0|2,0,0]=3 2085 B9R0.45 CCCSCCCCCF 62a_100000729378_100000210303 [1,0,0,0,0,0|2,0,0]=3 2086 B9R0.45 CCCSCCCCCO 62a_100000210303_100000746330 [1,0,0,0,0,0|2,0,0]=3 2087 B9R0.45 CCCSCCCCCO 62a_100000746330_100000210303 [1,0,0,0,0,0|2,0,0]=3 2088 B9R0.45 CCCSCCCCOC 62a_100000210303_100000730899 [1,0,0,0,0,0|2,0,0]=3 2089 B9R0.45 CCCSCCCCOC 62a_100000730899_100000210303 [1,0,0,0,0,0|2,0,0]=3 2090 B9R0.45 CCCSCCCOCC 62a_100000210303_100012232248 [1,0,0,0,0,0|2,0,0]=3 2091 B9R0.45 CCCSCCCOCC 62a_100012232248_100000210303 [1,0,0,0,0,0|2,0,0]=3 2092 B9R0.45 CCCSCCNCCF 2230a_100020603323_100011217306 [1,0,0,0,0,0|3,0,0]=4 2093 B9R0.45 CCCSCCNCCO 2230a_100020603323_100000211926 [1,0,0,0,0,0|3,0,0]=4 2094 B9R0.45 CCCSCCNCOC 2230a_100020603323_100000766300 [1,0,0,0,0,0|3,0,0]=4 2095 B9R0.45 CCCSCCNCSC 2230a_100020603323_100011218213 [1,0,0,0,0,0|3,0,0]=4 2096 B9R0.45 CCCSCCOCCF 34a_200000230433_100011217306 [1,0,0,0,0,0|3,0,0]=4 2097 B9R0.45 CCCSCCOCCF 7a_200000230433_100011217306 [1,0,0,0,0,0|3,0,0]=4 2098 B9R0.45 CCCSCCOCCO 34a_200000230433_100000211926 [1,0,0,0,0,0|3,0,0]=4 2099 B9R0.45 CCCSCCOCCO 62a_100000210303_100011215305 [1,0,0,0,0,0|3,0,0]=4 2100 B9R0.45 CCCSCCOCCO 62a_100011215305_100000210303 [1,0,0,0,0,0|3,0,0]=4 2101 B9R0.45 CCCSCCOCCO 7a_200000230433_100000211926 [1,0,0,0,0,0|3,0,0]=4 2102 B9R0.45 CCCSCCOCSC 34a_200000230433_100011218213 [1,0,0,0,0,0|3,0,0]=4 2103 B9R0.45 CCCSCOCCOC 62a_100000210303_100000231047 [1,0,0,0,0,0|3,0,0]=4 2104 B9R0.45 CCCSCOCCOC 62a_100000231047_100000210303 [1,0,0,0,0,0|3,0,0]=4 2105 B9R0.45 CCNCCCCCC#N 2230a_100015525214_100009813376 [1,0,0,0,0,0|2,0,1]=4 2106 B9R0.45 CCNCCCCCC=O 2230a_100015525214_100000139337 [1,0,0,0,0,0|2,0,1]=4 2107 B9R0.45 CCNCCCCCCF 2230a_100015525214_100015922095 [1,0,0,0,0,0|2,0,0]=3 2108 B9R0.45 CCNCCCCCCO 2230a_100000686447_100000210202 [1,0,0,0,0,0|2,0,0]=3 2109 B9R0.45 CCNCCCCCCO 2230a_100015525214_100000766143 [1,0,0,0,0,0|2,0,0]=3 2110 B9R0.45 CCNCCCCCCO 34a_100000686447_100000210202 [1,0,0,0,0,0|2,0,0]=3 2111 B9R0.45 CCNCCCCCOC 2230a_100000747528_100000210202 [1,0,0,0,0,0|2,0,0]=3 2112 B9R0.45 CCNCCCCCOC 34a_100000747528_100000210202 [1,0,0,0,0,0|2,0,0]=3 2113 B9R0.45 CCNCCOCCOC 2230a_100000745349_100000210202 [1,0,0,0,0,0|3,0,0]=4 2114 B9R0.45 CCNCCOCCOC 2230a_100015525214_100000695917 [1,0,0,0,0,0|3,0,0]=4 2115 B9R0.45 CCNCCOCCOC 34a_100000745349_100000210202 [1,0,0,0,0,0|3,0,0]=4 2116 B9R0.45 CCOCCCCCCBr 34a_100011215345_100000210202 [1,0,0,0,0,0|2,0,0]=3 2117 B9R0.45 CCOCCCCCCBr 7a_100011215345_100000210202 [1,0,0,0,0,0|2,0,0]=3 2118 B9R0.45 CCOCCCCCCCl 34a_100000766143_100000210202 [1,0,0,0,0,0|2,0,0]=3 2119 B9R0.45 CCOCCCCCCCl 7a_100000766143_100000210202 [1,0,0,0,0,0|2,0,0]=3 2120 B9R0.45 CCOCCCCCCF 34a_100000732779_100000210202 [1,0,0,0,0,0|2,0,0]=3 2121 B9R0.45 CCOCCCCCCF 34a_100121572206_100015922095 [1,0,0,0,0,0|2,0,0]=3 2122 B9R0.45 CCOCCCCCCF 7a_100000732779_100000210202 [1,0,0,0,0,0|2,0,0]=3 2123 B9R0.45 CCOCCCCCCN 34a_100000686447_100000210202 [1,0,0,0,0,0|2,0,0]=3 2124 B9R0.45 CCOCCCCCCO 34a_100121572206_100000766143 [1,0,0,0,0,0|2,0,0]=3 2125 B9R0.45 CCOCCCCCNC 34a_100000722520_100000210202 [1,0,0,0,0,0|2,0,0]=3 2126 B9R0.45 CCOCCCNCCF 2230a_100000210961_100011217306 [1,0,0,0,0,0|3,0,0]=4 2127 B9R0.45 CCOCCCNCCF 34a_100000210961_100011217306 [1,0,0,0,0,0|3,0,0]=4 2128 B9R0.45 CCOCCCNCCF 34a_100000724931_100012232248 [1,0,0,0,0,0|3,0,0]=4 2129 B9R0.45 CCOCCCNCCO 2230a_100000210961_100000211926 [1,0,0,0,0,0|3,0,0]=4 2130 B9R0.45 CCOCCCNCCO 2230a_100016997473_100012232248 [1,0,0,0,0,0|3,0,0]=4 2131 B9R0.45 CCOCCCNCCO 34a_100000210961_100000211926 [1,0,0,0,0,0|3,0,0]=4 2132 B9R0.45 CCOCCCNCCO 34a_100016990907_100012232248 [1,0,0,0,0,0|3,0,0]=4 2133 B9R0.45 CCOCCCNCOC 2230a_100000210961_100000766300 [1,0,0,0,0,0|3,0,0]=4 2134 B9R0.45 CCOCCCNCSC 2230a_100000210961_100011218213 [1,0,0,0,0,0|3,0,0]=4 2135 B9R0.45 CCOCCCNCSC 34a_100000210961_100011218213 [1,0,0,0,0,0|3,0,0]=4 2136 B9R0.45 CCOCCCOCCBr 34a_100000211926_100012232248 [1,0,0,0,0,0|3,0,0]=4 2137 B9R0.45 CCOCCCOCCF 34a_100000757476_100011217306 [1,0,0,0,0,0|3,0,0]=4 2138 B9R0.45 CCOCCCOCCF 7a_100000757476_100011217306 [1,0,0,0,0,0|3,0,0]=4 2139 B9R0.45 CCOCCCOCCN 34a_100000210304_100012232248 [1,0,0,0,0,0|3,0,0]=4 2140 B9R0.45 CCOCCCOCCO 34a_100000757476_100000211926 [1,0,0,0,0,0|3,0,0]=4 2141 B9R0.45 CCOCCCOCCO 7a_100000757476_100000211926 [1,0,0,0,0,0|3,0,0]=4 2142 B9R0.45 CCOCCCOCSC 34a_100000757476_100011218213 [1,0,0,0,0,0|3,0,0]=4 2143 B9R0.45 CCOCCCSCCF 62a_100011217306_100012232248 [1,0,0,0,0,0|3,0,0]=4 2144 B9R0.45 CCOCCCSCCF 62a_100012232248_100011217306 [1,0,0,0,0,0|3,0,0]=4 2145 B9R0.45 CCOCCCSCCO 62a_100000211926_100012232248 [1,0,0,0,0,0|3,0,0]=4 2146 B9R0.45 CCOCCCSCCO 62a_100012232248_100000211926 [1,0,0,0,0,0|3,0,0]=4 2147 B9R0.45 CCOCCCSCOC 62a_100000766300_100012232248 [1,0,0,0,0,0|3,0,0]=4 2148 B9R0.45 CCOCCCSCOC 62a_100012232248_100000766300 [1,0,0,0,0,0|3,0,0]=4 2149 B9R0.45 CCOCCCSCSC 62a_100011218213_100012232248 [1,0,0,0,0,0|3,0,0]=4 2150 B9R0.45 CCOCCCSCSC 62a_100012232248_100011218213 [1,0,0,0,0,0|3,0,0]=4 2151 B9R0.45 CCOCCNCCCF 2230a_100015189416_100011215890 [1,0,0,0,0,0|3,0,0]=4 2152 B9R0.45 CCOCCNCCCF 2230a_102516460346_100011934791 [1,0,0,0,0,0|3,0,0]=4 2153 B9R0.45 CCOCCNCCCF 34a_100015189416_100000210147 [1,0,0,0,0,0|3,0,0]=4 2154 B9R0.45 CCOCCNCCCF 34a_102516460346_100011934791 [1,0,0,0,0,0|3,0,0]=4 2155 B9R0.45 CCOCCNCCCO 2230a_102516460346_100000230001 [1,0,0,0,0,0|3,0,0]=4 2156 B9R0.45 CCOCCNCCCO 34a_102516460346_100000230001 [1,0,0,0,0,0|3,0,0]=4 2157 B9R0.45 CCOCCNCCOC 2230a_100000209980_100011215890 [1,0,0,0,0,0|3,0,0]=4 2158 B9R0.45 CCOCCNCCOC 2230a_102516460346_100011201679 [1,0,0,0,0,0|3,0,0]=4 2159 B9R0.45 CCOCCNCCOC 34a_102516460346_100011201679 [1,0,0,0,0,0|3,0,0]=4 2160 B9R0.45 CCOCCNCCSC 2230a_100020590264_100011215890 [1,0,0,0,0,0|3,0,0]=4 2161 B9R0.45 CCOCCNCCSC 2230a_102516460346_100000751147 [1,0,0,0,0,0|3,0,0]=4 2162 B9R0.45 CCOCCNCCSC 34a_102516460346_100000212216 [1,0,0,0,0,0|3,0,0]=4 2163 B9R0.45 CCOCCOCCCBr 34a_100011217188_100000210147 [1,0,0,0,0,0|3,0,0]=4 2164 B9R0.45 CCOCCOCCCCl 34a_100000230001_100000210147 [1,0,0,0,0,0|3,0,0]=4 2165 B9R0.45 CCOCCOCCCF 34a_100000210136_100011934791 [1,0,0,0,0,0|3,0,0]=4 2166 B9R0.45 CCOCCOCCCF 34a_100000759539_100000210147 [1,0,0,0,0,0|3,0,0]=4 2167 B9R0.45 CCOCCOCCCF 7a_100000210136_100011934791 [1,0,0,0,0,0|3,0,0]=4 2168 B9R0.45 CCOCCOCCCN 34a_100000182051_100000210147 [1,0,0,0,0,0|3,0,0]=4 2169 B9R0.45 CCOCCOCCCO 34a_100000210136_100000230001 [1,0,0,0,0,0|3,0,0]=4 2170 B9R0.45 CCOCCOCCCO 7a_100000210136_100011215043 [1,0,0,0,0,0|3,0,0]=4 2171 B9R0.45 CCOCCOCCNC 2230a_100102712874_200000210301 [1,0,0,0,0,0|3,0,0]=4 2172 B9R0.45 CCOCCOCCNC 2230a_106832991635_100011211534 [1,0,0,0,0,0|3,0,0]=4 2173 B9R0.45 CCOCCOCCNC 34a_100000228057_100000210202 [1,0,0,0,0,0|3,0,0]=4 2174 B9R0.45 CCOCCOCCNC 34a_100102657272_100011211534 [1,0,0,0,0,0|3,0,0]=4 2175 B9R0.45 CCOCCOCCNC 34a_100102712874_200000210301 [1,0,0,0,0,0|3,0,0]=4 2176 B9R0.45 CCOCCOCCNC 7a_106832991635_100011211534 [1,0,0,0,0,0|3,0,0]=4 2177 B9R0.45 CCOCCOCCN[13CH3] 2230a_100102712874_200025704644 [1,0,0,0,0,0|3,0,0]=4 2178 B9R0.45 CCOCCOCCN[13CH3] 34a_100102712874_200025704644 [1,0,0,0,0,0|3,0,0]=4 2179 B9R0.45 CCOCCOCCOC 34a_100000210136_100011201679 [1,0,0,0,0,0|3,0,0]=4 2180 B9R0.45 CCOCCOCCOC 34a_100000210237_100000210147 [1,0,0,0,0,0|3,0,0]=4 2181 B9R0.45 CCOCCOCCOC 34a_100000210240_200000210301 [1,0,0,0,0,0|3,0,0]=4 2182 B9R0.45 CCOCCOCCOC 34a_100011215163_100000210202 [1,0,0,0,0,0|3,0,0]=4 2183 B9R0.45 CCOCCOCCOC 34a_100121572206_100000695917 [1,0,0,0,0,0|3,0,0]=4 2184 B9R0.45 CCOCCOCCOC 34a_100138415774_100011211534 [1,0,0,0,0,0|3,0,0]=4 2185 B9R0.45 CCOCCOCCOC 7a_100000210136_100000233755 [1,0,0,0,0,0|3,0,0]=4 2186 B9R0.45 CCOCCOCCOC 7a_100000210240_200000210301 [1,0,0,0,0,0|3,0,0]=4 2187 B9R0.45 CCOCCOCCOC 7a_100011215163_100000210202 [1,0,0,0,0,0|3,0,0]=4 2188 B9R0.45 CCOCCOCCO[13CH3] 34a_100000210240_200025704644 [1,0,0,0,0,0|3,0,0]=4 2189 B9R0.45 CCOCCOCCO[13CH3] 7a_100000210240_200025704644 [1,0,0,0,0,0|3,0,0]=4 2190 B9R0.45 CCOCCOCCSC 34a_100000210136_100000212216 [1,0,0,0,0,0|3,0,0]=4 2191 B9R0.45 CCOCCOCCSC 34a_100000230434_100000210147 [1,0,0,0,0,0|3,0,0]=4 2192 B9R0.45 CCOCCOCCSC 62a_100011211534_200000210301 [1,0,0,0,0,0|3,0,0]=4 2193 B9R0.45 CCOCCOCCSC 62a_200000210301_100011211534 [1,0,0,0,0,0|3,0,0]=4 2194 B9R0.45 CCOCCOCCSC 7a_100000210136_100000212216 [1,0,0,0,0,0|3,0,0]=4 2195 B9R0.45 CCOCCOCCSC 7a_100000230434_100011215890 [1,0,0,0,0,0|3,0,0]=4 2196 B9R0.45 CCOCCOCCS[13CH3] 62a_100011211534_200025704644 [1,0,0,0,0,0|3,0,0]=4 2197 B9R0.45 CCOCCOCCS[13CH3] 62a_200025704644_100011211534 [1,0,0,0,0,0|3,0,0]=4 2198 B9R0.45 CCOCCSCCCF 62a_100000210147_100011934791 [1,0,0,0,0,0|3,0,0]=4 2199 B9R0.45 CCOCCSCCCF 62a_100011934791_100011215890 [1,0,0,0,0,0|3,0,0]=4 2200 B9R0.45 CCOCCSCCCO 62a_100000210147_100011215043 [1,0,0,0,0,0|3,0,0]=4 2201 B9R0.45 CCOCCSCCCO 62a_100011215043_100011215890 [1,0,0,0,0,0|3,0,0]=4 2202 B9R0.45 CCOCCSCCOC 62a_100000210147_100000233755 [1,0,0,0,0,0|3,0,0]=4 2203 B9R0.45 CCOCCSCCOC 62a_100000233755_100011215890 [1,0,0,0,0,0|3,0,0]=4 2204 B9R0.45 CCOCCSCCSC 62a_100000210147_100000751147 [1,0,0,0,0,0|3,0,0]=4 2205 B9R0.45 CCOCCSCCSC 62a_100000212216_100011215890 [1,0,0,0,0,0|3,0,0]=4 2206 B9R0.45 CCOCCSCOCC 62a_100000210147_100000739092 [1,0,0,0,0,0|3,0,0]=4 2207 B9R0.45 CCOCCSCOCC 62a_100000739092_100011215890 [1,0,0,0,0,0|3,0,0]=4 2208 B9R0.45 CCOCSCCCCF 62a_100000729493_100000739092 [1,0,0,0,0,0|3,0,0]=4 2209 B9R0.45 CCOCSCCCCF 62a_100000739092_100000729493 [1,0,0,0,0,0|3,0,0]=4 2210 B9R0.45 CCOCSCCCCO 62a_100000210776_100000739092 [1,0,0,0,0,0|3,0,0]=4 2211 B9R0.45 CCOCSCCCCO 62a_100000739092_100000210776 [1,0,0,0,0,0|3,0,0]=4 2212 B9R0.45 CCOCSCCCOC 62a_100000709357_100000739092 [1,0,0,0,0,0|3,0,0]=4 2213 B9R0.45 CCOCSCCCOC 62a_100000739092_100000709357 [1,0,0,0,0,0|3,0,0]=4 2214 B9R0.45 CCOCSCCSCC 62a_100000739092_100000757381 [1,0,0,0,0,0|3,0,0]=4 2215 B9R0.45 CCOCSCCSCC 62a_100000757381_100000739092 [1,0,0,0,0,0|3,0,0]=4 2216 B9R0.45 CCSCCCCCC#N 62a_100000210202_100009813376 [1,0,0,0,0,0|2,0,1]=4 2217 B9R0.45 CCSCCCCCC#N 62a_100009813376_100000210202 [1,0,0,0,0,0|2,0,1]=4 2218 B9R0.45 CCSCCCCCC=O 62a_100000139337_100000210202 [1,0,0,0,0,0|2,0,1]=4 2219 B9R0.45 CCSCCCCCC=O 62a_100000210202_100000139337 [1,0,0,0,0,0|2,0,1]=4 2220 B9R0.45 CCSCCCCCCF 62a_100000210202_100015922095 [1,0,0,0,0,0|2,0,0]=3 2221 B9R0.45 CCSCCCCCCF 62a_100015922095_100000210202 [1,0,0,0,0,0|2,0,0]=3 2222 B9R0.45 CCSCCCCCCO 62a_100000210202_100000766143 [1,0,0,0,0,0|2,0,0]=3 2223 B9R0.45 CCSCCCCCCO 62a_100000766143_100000210202 [1,0,0,0,0,0|2,0,0]=3 2224 B9R0.45 CCSCCCOCCF 34a_100011216438_100011217306 [1,0,0,0,0,0|3,0,0]=4 2225 B9R0.45 CCSCCCOCCF 7a_100011216438_100011217306 [1,0,0,0,0,0|3,0,0]=4 2226 B9R0.45 CCSCCCOCCO 34a_100011216438_100000211926 [1,0,0,0,0,0|3,0,0]=4 2227 B9R0.45 CCSCCCOCCO 7a_100011216438_100000211926 [1,0,0,0,0,0|3,0,0]=4 2228 B9R0.45 CCSCCCOCSC 34a_100011216438_100011218213 [1,0,0,0,0,0|3,0,0]=4 2229 B9R0.45 CCSCCNCCCF 2230a_100000106463_100011934791 [1,0,0,0,0,0|3,0,0]=4 2230 B9R0.45 CCSCCNCCCF 2230a_100015189416_100000757381 [1,0,0,0,0,0|3,0,0]=4 2231 B9R0.45 CCSCCNCCCF 34a_100015189416_100000757381 [1,0,0,0,0,0|3,0,0]=4 2232 B9R0.45 CCSCCNCCCO 2230a_100000106463_100000230001 [1,0,0,0,0,0|3,0,0]=4 2233 B9R0.45 CCSCCNCCOC 2230a_100000106463_100011201679 [1,0,0,0,0,0|3,0,0]=4 2234 B9R0.45 CCSCCNCCOC 2230a_100000209980_100000757381 [1,0,0,0,0,0|3,0,0]=4 2235 B9R0.45 CCSCCNCCSC 2230a_100000106463_100000751147 [1,0,0,0,0,0|3,0,0]=4 2236 B9R0.45 CCSCCNCCSC 2230a_100020590264_100000757381 [1,0,0,0,0,0|3,0,0]=4 2237 B9R0.45 CCSCCOCCCBr 34a_100011217188_100000757381 [1,0,0,0,0,0|3,0,0]=4 2238 B9R0.45 CCSCCOCCCCl 34a_100000230001_100000757381 [1,0,0,0,0,0|3,0,0]=4 2239 B9R0.45 CCSCCOCCCF 34a_100000212035_100011934791 [1,0,0,0,0,0|3,0,0]=4 2240 B9R0.45 CCSCCOCCCF 34a_100000759539_100000757381 [1,0,0,0,0,0|3,0,0]=4 2241 B9R0.45 CCSCCOCCCF 7a_100000212035_100011934791 [1,0,0,0,0,0|3,0,0]=4 2242 B9R0.45 CCSCCOCCCN 34a_100000182051_100000757381 [1,0,0,0,0,0|3,0,0]=4 2243 B9R0.45 CCSCCOCCCO 34a_100000212035_100000230001 [1,0,0,0,0,0|3,0,0]=4 2244 B9R0.45 CCSCCOCCCO 7a_100000212035_100011215043 [1,0,0,0,0,0|3,0,0]=4 2245 B9R0.45 CCSCCOCCOC 34a_100000210237_100000757381 [1,0,0,0,0,0|3,0,0]=4 2246 B9R0.45 CCSCCOCCOC 34a_100000212035_100011201679 [1,0,0,0,0,0|3,0,0]=4 2247 B9R0.45 CCSCCOCCOC 62a_100000210202_100000695917 [1,0,0,0,0,0|3,0,0]=4 2248 B9R0.45 CCSCCOCCOC 62a_100000695917_100000210202 [1,0,0,0,0,0|3,0,0]=4 2249 B9R0.45 CCSCCOCCOC 7a_100000212035_100000233755 [1,0,0,0,0,0|3,0,0]=4 2250 B9R0.45 CCSCCOCCSC 34a_100000212035_100000212216 [1,0,0,0,0,0|3,0,0]=4 2251 B9R0.45 CCSCCOCCSC 34a_100000230434_100000757381 [1,0,0,0,0,0|3,0,0]=4 2252 B9R0.45 CCSCCOCCSC 7a_100000212035_100000212216 [1,0,0,0,0,0|3,0,0]=4 2253 B9R0.45 CCSCCOCCSC 7a_100000230434_100000757381 [1,0,0,0,0,0|3,0,0]=4 2254 B9R0.45 CCSCCSCCCF 62a_100000757381_100011934791 [1,0,0,0,0,0|3,0,0]=4 2255 B9R0.45 CCSCCSCCCF 62a_100011934791_100000757381 [1,0,0,0,0,0|3,0,0]=4 2256 B9R0.45 CCSCCSCCCO 62a_100000757381_100011215043 [1,0,0,0,0,0|3,0,0]=4 2257 B9R0.45 CCSCCSCCCO 62a_100011215043_100000757381 [1,0,0,0,0,0|3,0,0]=4 2258 B9R0.45 CCSCCSCCOC 62a_100000233755_100000757381 [1,0,0,0,0,0|3,0,0]=4 2259 B9R0.45 CCSCCSCCOC 62a_100000757381_100000233755 [1,0,0,0,0,0|3,0,0]=4 2260 B9R0.45 CCSCCSCCSC 62a_100000212216_100000757381 [1,0,0,0,0,0|3,0,0]=4 2261 B9R0.45 CCSCCSCCSC 62a_100000757381_100000751147 [1,0,0,0,0,0|3,0,0]=4 2262 B9R0.45 CNCCCCCCC#N 2230a_106832991635_100009813337 [1,0,0,0,0,0|2,0,1]=4 2263 B9R0.45 CNCCCCCCC#N 7a_106832991635_100009813337 [1,0,0,0,0,0|2,0,1]=4 2264 B9R0.45 CNCCCCCCCO 2230a_100011996573_200000210301 [1,0,0,0,0,0|2,0,0]=3 2265 B9R0.45 CNCCCCCCCO 2230a_106832991635_100000760002 [1,0,0,0,0,0|2,0,0]=3 2266 B9R0.45 CNCCCCCCCO 34a_100011996573_200000210301 [1,0,0,0,0,0|2,0,0]=3 2267 B9R0.45 CNCCCCCCCO 34a_100102657272_100000760002 [1,0,0,0,0,0|2,0,0]=3 2268 B9R0.45 CNCCCCCCCO 7a_106832991635_100000760002 [1,0,0,0,0,0|2,0,0]=3 2269 B9R0.45 CNCCCCCCOC 2230a_106832991635_100011998445 [1,0,0,0,0,0|2,0,0]=3 2270 B9R0.45 CNCCCCCCOC 34a_100102657272_100011998445 [1,0,0,0,0,0|2,0,0]=3 2271 B9R0.45 CNCCCCCCOC 7a_106832991635_100011998445 [1,0,0,0,0,0|2,0,0]=3 2272 B9R0.45 CNCCCCCOCF 34a_100000722520_100015361967 [1,0,0,0,0,0|3,0,0]=4 2273 B9R0.45 CNCCCOCCCF 34a_100000213112_100011934791 [1,0,0,0,0,0|3,0,0]=4 2274 B9R0.45 CNCCCOCCCO 2230a_100011310245_200000210301 [1,0,0,0,0,0|3,0,0]=4 2275 B9R0.45 CNCCCOCCCO 34a_100000213112_100000230001 [1,0,0,0,0,0|3,0,0]=4 2276 B9R0.45 CNCCCOCCCO 34a_100011310245_200000210301 [1,0,0,0,0,0|3,0,0]=4 2277 B9R0.45 CNCCCOCCOC 2230a_100000206027_200000210301 [1,0,0,0,0,0|3,0,0]=4 2278 B9R0.45 CNCCCOCCOC 2230a_106832991635_100011216529 [1,0,0,0,0,0|3,0,0]=4 2279 B9R0.45 CNCCCOCCOC 34a_100000206027_200000210301 [1,0,0,0,0,0|3,0,0]=4 2280 B9R0.45 CNCCCOCCOC 34a_100000213112_100011201679 [1,0,0,0,0,0|3,0,0]=4 2281 B9R0.45 CNCCCOCCOC 34a_100102657272_100011216529 [1,0,0,0,0,0|3,0,0]=4 2282 B9R0.45 CNCCCOCCOC 7a_106832991635_100011216529 [1,0,0,0,0,0|3,0,0]=4 2283 B9R0.45 CNCCCOCCSC 34a_100000213112_100000212216 [1,0,0,0,0,0|3,0,0]=4 2284 B9R0.45 COCCCCCCCBr 34a_100000760002_200000210301 [1,0,0,0,0,0|2,0,0]=3 2285 B9R0.45 COCCCCCCCBr 7a_100000760002_200000210301 [1,0,0,0,0,0|2,0,0]=3 2286 B9R0.45 COCCCCCCCN 34a_100011996573_200000210301 [1,0,0,0,0,0|2,0,0]=3 2287 B9R0.45 COCCCCCCCO 34a_100138415774_100000760002 [1,0,0,0,0,0|2,0,0]=3 2288 B9R0.45 COCCCCCCOC 34a_100138415774_100011998445 [1,0,0,0,0,0|2,0,0]=3 2289 B9R0.45 COCCCCCCOC 34a_200012092642_200000210301 [1,0,0,0,0,0|2,0,0]=3 2290 B9R0.45 COCCCCCCOC 7a_200012092642_200000210301 [1,0,0,0,0,0|2,0,0]=3 2291 B9R0.45 COCCCCCCO[13CH3] 34a_200012092642_200025704644 [1,0,0,0,0,0|2,0,0]=3 2292 B9R0.45 COCCCCCCO[13CH3] 7a_200012092642_200025704644 [1,0,0,0,0,0|2,0,0]=3 2293 B9R0.45 COCCCCCCSC 62a_100011998445_200000210301 [1,0,0,0,0,0|2,0,0]=3 2294 B9R0.45 COCCCCCCSC 62a_200000210301_100011998445 [1,0,0,0,0,0|2,0,0]=3 2295 B9R0.45 COCCCCCCS[13CH3] 62a_100011998445_200025704644 [1,0,0,0,0,0|2,0,0]=3 2296 B9R0.45 COCCCCCCS[13CH3] 62a_200025704644_100011998445 [1,0,0,0,0,0|2,0,0]=3 2297 B9R0.45 COCCCCCNCF 34a_100000747528_100015361967 [1,0,0,0,0,0|3,0,0]=4 2298 B9R0.45 COCCCCNCCF 34a_100000724931_100000755781 [1,0,0,0,0,0|3,0,0]=4 2299 B9R0.45 COCCCCNCCO 2230a_100016997473_100000730899 [1,0,0,0,0,0|3,0,0]=4 2300 B9R0.45 COCCCCNCCO 34a_100016990907_100000755781 [1,0,0,0,0,0|3,0,0]=4 2301 B9R0.45 COCCCCOCCBr 34a_100000211926_100000755781 [1,0,0,0,0,0|3,0,0]=4 2302 B9R0.45 COCCCCOCCF 34a_100000740925_100011217306 [1,0,0,0,0,0|3,0,0]=4 2303 B9R0.45 COCCCCOCCN 34a_100000210304_100000755781 [1,0,0,0,0,0|3,0,0]=4 2304 B9R0.45 COCCCCOCCO 34a_100000740925_100000211926 [1,0,0,0,0,0|3,0,0]=4 2305 B9R0.45 COCCCCOCSC 34a_100000740925_100011218213 [1,0,0,0,0,0|3,0,0]=4 2306 B9R0.45 COCCCCSCCF 62a_100000730899_100011217306 [1,0,0,0,0,0|3,0,0]=4 2307 B9R0.45 COCCCCSCCF 62a_100011217306_100000730899 [1,0,0,0,0,0|3,0,0]=4 2308 B9R0.45 COCCCCSCCO 62a_100000211926_100000730899 [1,0,0,0,0,0|3,0,0]=4 2309 B9R0.45 COCCCCSCCO 62a_100000730899_100000211926 [1,0,0,0,0,0|3,0,0]=4 2310 B9R0.45 COCCCCSCOC 62a_100000730899_100000766300 [1,0,0,0,0,0|3,0,0]=4 2311 B9R0.45 COCCCCSCOC 62a_100000766300_100000730899 [1,0,0,0,0,0|3,0,0]=4 2312 B9R0.45 COCCCCSCSC 62a_100000730899_100011218213 [1,0,0,0,0,0|3,0,0]=4 2313 B9R0.45 COCCCCSCSC 62a_100011218213_100000730899 [1,0,0,0,0,0|3,0,0]=4 2314 B9R0.45 COCCCNCCCF 2230a_100015189416_100000740836 [1,0,0,0,0,0|3,0,0]=4 2315 B9R0.45 COCCCNCCCF 34a_100015189416_100000740836 [1,0,0,0,0,0|3,0,0]=4 2316 B9R0.45 COCCCNCCCF 34a_100150723488_100011934791 [1,0,0,0,0,0|3,0,0]=4 2317 B9R0.45 COCCCNCCCO 34a_100150723488_100000230001 [1,0,0,0,0,0|3,0,0]=4 2318 B9R0.45 COCCCNCCOC 2230a_100000209980_100000740836 [1,0,0,0,0,0|3,0,0]=4 2319 B9R0.45 COCCCNCCOC 34a_100150723488_100011201679 [1,0,0,0,0,0|3,0,0]=4 2320 B9R0.45 COCCCNCCSC 2230a_100020590264_100000740836 [1,0,0,0,0,0|3,0,0]=4 2321 B9R0.45 COCCCNCCSC 34a_100150723488_100000212216 [1,0,0,0,0,0|3,0,0]=4 2322 B9R0.45 COCCCOCCCBr 34a_100011217188_100000740836 [1,0,0,0,0,0|3,0,0]=4 2323 B9R0.45 COCCCOCCCCl 34a_100000230001_100000740836 [1,0,0,0,0,0|3,0,0]=4 2324 B9R0.45 COCCCOCCCF 34a_100000740835_100011934791 [1,0,0,0,0,0|3,0,0]=4 2325 B9R0.45 COCCCOCCCF 34a_100000759539_100000740836 [1,0,0,0,0,0|3,0,0]=4 2326 B9R0.45 COCCCOCCCN 34a_100000182051_100000740836 [1,0,0,0,0,0|3,0,0]=4 2327 B9R0.45 COCCCOCCCN 34a_100011310245_200000210301 [1,0,0,0,0,0|3,0,0]=4 2328 B9R0.45 COCCCOCCCO 34a_100000740835_100000230001 [1,0,0,0,0,0|3,0,0]=4 2329 B9R0.45 COCCCOCCOC 34a_100000210237_100000740836 [1,0,0,0,0,0|3,0,0]=4 2330 B9R0.45 COCCCOCCOC 34a_100000740835_100011201679 [1,0,0,0,0,0|3,0,0]=4 2331 B9R0.45 COCCCOCCOC 34a_100138415774_100011216529 [1,0,0,0,0,0|3,0,0]=4 2332 B9R0.45 COCCCOCCSC 34a_100000230434_100000740836 [1,0,0,0,0,0|3,0,0]=4 2333 B9R0.45 COCCCOCCSC 34a_100000740835_100000212216 [1,0,0,0,0,0|3,0,0]=4 2334 B9R0.45 COCCCOCCSC 7a_100000230434_100000740836 [1,0,0,0,0,0|3,0,0]=4 2335 B9R0.45 COCCCSCCCF 62a_100000709357_100011934791 [1,0,0,0,0,0|3,0,0]=4 2336 B9R0.45 COCCCSCCCF 62a_100011934791_100000709357 [1,0,0,0,0,0|3,0,0]=4 2337 B9R0.45 COCCCSCCCO 62a_100000709357_100011215043 [1,0,0,0,0,0|3,0,0]=4 2338 B9R0.45 COCCCSCCCO 62a_100011215043_100000709357 [1,0,0,0,0,0|3,0,0]=4 2339 B9R0.45 COCCCSCCOC 62a_100000233755_100000709357 [1,0,0,0,0,0|3,0,0]=4 2340 B9R0.45 COCCCSCCOC 62a_100000709357_100000233755 [1,0,0,0,0,0|3,0,0]=4 2341 B9R0.45 COCCCSCCSC 62a_100000212216_100000709357 [1,0,0,0,0,0|3,0,0]=4 2342 B9R0.45 COCCCSCCSC 62a_100000709357_100000751147 [1,0,0,0,0,0|3,0,0]=4 2343 B9R0.45 COCCNCCCCF 2230a_100000209980_100000729493 [1,0,0,0,0,0|3,0,0]=4 2344 B9R0.45 COCCNCCCCO 2230a_100000209980_100000210776 [1,0,0,0,0,0|3,0,0]=4 2345 B9R0.45 COCCNCCCCO 2230a_100000750430_100011201679 [1,0,0,0,0,0|3,0,0]=4 2346 B9R0.45 COCCNCCCCO 34a_100000750430_100011201679 [1,0,0,0,0,0|3,0,0]=4 2347 B9R0.45 COCCNCCCSC 2230a_100000749238_100011201679 [1,0,0,0,0,0|3,0,0]=4 2348 B9R0.45 COCCOCCCCBr 34a_100011216708_100011201679 [1,0,0,0,0,0|3,0,0]=4 2349 B9R0.45 COCCOCCCCCl 34a_100000210776_100011201679 [1,0,0,0,0,0|3,0,0]=4 2350 B9R0.45 COCCOCCCCCl 7a_100000210776_100000233755 [1,0,0,0,0,0|3,0,0]=4 2351 B9R0.45 COCCOCCCCF 34a_100000210237_100000729493 [1,0,0,0,0,0|3,0,0]=4 2352 B9R0.45 COCCOCCCCF 34a_100011995726_100011201679 [1,0,0,0,0,0|3,0,0]=4 2353 B9R0.45 COCCOCCCCF 7a_100011995726_100000233755 [1,0,0,0,0,0|3,0,0]=4 2354 B9R0.45 COCCOCCCCI 34a_200012148704_100011201679 [1,0,0,0,0,0|3,0,0]=4 2355 B9R0.45 COCCOCCCCN 34a_100000750430_100011201679 [1,0,0,0,0,0|3,0,0]=4 2356 B9R0.45 COCCOCCCCO 34a_100000210237_100011216708 [1,0,0,0,0,0|3,0,0]=4 2357 B9R0.45 COCCOCCCN[13CH3] 2230a_100000206027_200025704644 [1,0,0,0,0,0|3,0,0]=4 2358 B9R0.45 COCCOCCCN[13CH3] 34a_100000206027_200025704644 [1,0,0,0,0,0|3,0,0]=4 2359 B9R0.45 COCCOCCCSC 34a_100000690336_100011201679 [1,0,0,0,0,0|3,0,0]=4 2360 B9R0.45 COCCOCCCSC 62a_100011216529_200000210301 [1,0,0,0,0,0|3,0,0]=4 2361 B9R0.45 COCCOCCCSC 62a_200000210301_100011216529 [1,0,0,0,0,0|3,0,0]=4 2362 B9R0.45 COCCOCCCSC 7a_100000690336_100000233755 [1,0,0,0,0,0|3,0,0]=4 2363 B9R0.45 COCCOCCCS[13CH3] 62a_100011216529_200025704644 [1,0,0,0,0,0|3,0,0]=4 2364 B9R0.45 COCCOCCCS[13CH3] 62a_200025704644_100011216529 [1,0,0,0,0,0|3,0,0]=4 2365 B9R0.45 COCCSCCCCF 62a_100000233755_100000729493 [1,0,0,0,0,0|3,0,0]=4 2366 B9R0.45 COCCSCCCCF 62a_100000729493_100000233755 [1,0,0,0,0,0|3,0,0]=4 2367 B9R0.45 COCCSCCCCO 62a_100000210776_100000233755 [1,0,0,0,0,0|3,0,0]=4 2368 B9R0.45 COCCSCCCCO 62a_100000233755_100000210776 [1,0,0,0,0,0|3,0,0]=4 2369 B9R0.45 COCNCCCCCO 2230a_100000762737_100000766300 [1,0,0,0,0,0|3,0,0]=4 2370 B9R0.45 COCSCCCCCF 62a_100000729378_100000766300 [1,0,0,0,0,0|3,0,0]=4 2371 B9R0.45 COCSCCCCCF 62a_100000766300_100000729378 [1,0,0,0,0,0|3,0,0]=4 2372 B9R0.45 COCSCCCCCO 62a_100000746330_100000766300 [1,0,0,0,0,0|3,0,0]=4 2373 B9R0.45 COCSCCCCCO 62a_100000766300_100000746330 [1,0,0,0,0,0|3,0,0]=4 2374 B9R0.45 CSCCCCCCC#N 62a_100009813337_200000210301 [1,0,0,0,0,0|2,0,1]=4 2375 B9R0.45 CSCCCCCCC#N 62a_200000210301_100009813337 [1,0,0,0,0,0|2,0,1]=4 2376 B9R0.45 CSCCCCCCCO 62a_100000760002_200000210301 [1,0,0,0,0,0|2,0,0]=3 2377 B9R0.45 CSCCCCCCCO 62a_200000210301_100000760002 [1,0,0,0,0,0|2,0,0]=3 2378 B9R0.45 CSCCCCOCCF 34a_100011217163_100011217306 [1,0,0,0,0,0|3,0,0]=4 2379 B9R0.45 CSCCCCOCCF 7a_100011217163_100011217306 [1,0,0,0,0,0|3,0,0]=4 2380 B9R0.45 CSCCCCOCCO 34a_100011217163_100000211926 [1,0,0,0,0,0|3,0,0]=4 2381 B9R0.45 CSCCCCOCCO 7a_100011217163_100000211926 [1,0,0,0,0,0|3,0,0]=4 2382 B9R0.45 CSCCCCOCSC 34a_100011217163_100011218213 [1,0,0,0,0,0|3,0,0]=4 2383 B9R0.45 CSCCCNCCCF 2230a_100000749238_100011934791 [1,0,0,0,0,0|3,0,0]=4 2384 B9R0.45 CSCCCNCCCO 2230a_100000749238_100000230001 [1,0,0,0,0,0|3,0,0]=4 2385 B9R0.45 CSCCCNCCSC 2230a_100000749238_100000751147 [1,0,0,0,0,0|3,0,0]=4 2386 B9R0.45 CSCCCOCCCF 34a_100000690336_100011934791 [1,0,0,0,0,0|3,0,0]=4 2387 B9R0.45 CSCCCOCCCF 7a_100000690336_100011934791 [1,0,0,0,0,0|3,0,0]=4 2388 B9R0.45 CSCCCOCCCO 34a_100000690336_100000230001 [1,0,0,0,0,0|3,0,0]=4 2389 B9R0.45 CSCCCOCCCO 7a_100000690336_100011215043 [1,0,0,0,0,0|3,0,0]=4 2390 B9R0.45 CSCCCOCCSC 34a_100000690336_100000212216 [1,0,0,0,0,0|3,0,0]=4 2391 B9R0.45 CSCCCOCCSC 7a_100000690336_100000212216 [1,0,0,0,0,0|3,0,0]=4 2392 B9R0.45 CSCCNCCCCF 2230a_100020590264_100000729493 [1,0,0,0,0,0|3,0,0]=4 2393 B9R0.45 CSCCNCCCCO 2230a_100000750430_100000751147 [1,0,0,0,0,0|3,0,0]=4 2394 B9R0.45 CSCCNCCCCO 2230a_100020590264_100000210776 [1,0,0,0,0,0|3,0,0]=4 2395 B9R0.45 CSCCNCCCCO 34a_100000750430_100000212216 [1,0,0,0,0,0|3,0,0]=4 2396 B9R0.45 CSCCOCCCCBr 34a_100011216708_100000212216 [1,0,0,0,0,0|3,0,0]=4 2397 B9R0.45 CSCCOCCCCCl 34a_100000210776_100000212216 [1,0,0,0,0,0|3,0,0]=4 2398 B9R0.45 CSCCOCCCCCl 7a_100000210776_100000212216 [1,0,0,0,0,0|3,0,0]=4 2399 B9R0.45 CSCCOCCCCF 34a_100000230434_100000729493 [1,0,0,0,0,0|3,0,0]=4 2400 B9R0.45 CSCCOCCCCF 34a_100011995726_100000212216 [1,0,0,0,0,0|3,0,0]=4 2401 B9R0.45 CSCCOCCCCF 7a_100000230434_100000729493 [1,0,0,0,0,0|3,0,0]=4 2402 B9R0.45 CSCCOCCCCF 7a_100011995726_100000212216 [1,0,0,0,0,0|3,0,0]=4 2403 B9R0.45 CSCCOCCCCI 34a_200012148704_100000212216 [1,0,0,0,0,0|3,0,0]=4 2404 B9R0.45 CSCCOCCCCN 34a_100000750430_100000212216 [1,0,0,0,0,0|3,0,0]=4 2405 B9R0.45 CSCCOCCCCO 34a_100000230434_100011216708 [1,0,0,0,0,0|3,0,0]=4 2406 B9R0.45 CSCCOCCCCO 7a_100000230434_100000210776 [1,0,0,0,0,0|3,0,0]=4 2407 B9R0.45 CSCCSCCCCF 62a_100000212216_100000729493 [1,0,0,0,0,0|3,0,0]=4 2408 B9R0.45 CSCCSCCCCF 62a_100000729493_100000751147 [1,0,0,0,0,0|3,0,0]=4 2409 B9R0.45 CSCCSCCCCO 62a_100000210776_100000751147 [1,0,0,0,0,0|3,0,0]=4 2410 B9R0.45 CSCCSCCCCO 62a_100000212216_100000210776 [1,0,0,0,0,0|3,0,0]=4 2411 B9R0.45 CSCNCCCCCO 2230a_100000762737_100011218213 [1,0,0,0,0,0|3,0,0]=4 2412 B9R0.45 CSCNCCCCCO 34a_100000762737_100011218213 [1,0,0,0,0,0|3,0,0]=4 2413 B9R0.45 CSCOCCCCCBr 34a_100000746331_100011218213 [1,0,0,0,0,0|3,0,0]=4 2414 B9R0.45 CSCOCCCCCCl 34a_100000746330_100011218213 [1,0,0,0,0,0|3,0,0]=4 2415 B9R0.45 CSCOCCCCCI 34a_200012148887_100011218213 [1,0,0,0,0,0|3,0,0]=4 2416 B9R0.45 CSCOCCCCCN 34a_100000762737_100011218213 [1,0,0,0,0,0|3,0,0]=4 2417 B9R0.45 CSCSCCCCCF 62a_100000729378_100011218213 [1,0,0,0,0,0|3,0,0]=4 2418 B9R0.45 CSCSCCCCCF 62a_100011218213_100000729378 [1,0,0,0,0,0|3,0,0]=4 2419 B9R0.45 CSCSCCCCCO 62a_100000746330_100011218213 [1,0,0,0,0,0|3,0,0]=4 2420 B9R0.45 CSCSCCCCCO 62a_100011218213_100000746330 [1,0,0,0,0,0|3,0,0]=4 2421 B9R0.45 FCCCCCCOCF 34a_100000732779_100015361967 [1,0,0,0,0,0|3,0,0]=4 2422 B9R0.45 FCCCCCCOCF 7a_100000732779_100015361967 [1,0,0,0,0,0|3,0,0]=4 2423 B9R0.45 FCCCCCCSCF 62a_100015361967_100015922095 [1,0,0,0,0,0|3,0,0]=4 2424 B9R0.45 FCCCCCCSCF 62a_100015922095_100015361967 [1,0,0,0,0,0|3,0,0]=4 2425 B9R0.45 FCCCCCNCCF 34a_100000724931_100000729378 [1,0,0,0,0,0|3,0,0]=4 2426 B9R0.45 FCCCCCOCCBr 34a_100000211926_100000729378 [1,0,0,0,0,0|3,0,0]=4 2427 B9R0.45 FCCCCCSCCF 62a_100000729378_100011217306 [1,0,0,0,0,0|3,0,0]=4 2428 B9R0.45 FCCCCCSCCF 62a_100011217306_100000729378 [1,0,0,0,0,0|3,0,0]=4 2429 B9R0.45 FCCCCNCCCF 2230a_100015189416_100000729493 [1,0,0,0,0,0|3,0,0]=4 2430 B9R0.45 FCCCCNCCCF 34a_100015189416_100000729493 [1,0,0,0,0,0|3,0,0]=4 2431 B9R0.45 FCCCCOCCCBr 34a_100011217188_100000729493 [1,0,0,0,0,0|3,0,0]=4 2432 B9R0.45 FCCCCOCCCCl 34a_100000230001_100000729493 [1,0,0,0,0,0|3,0,0]=4 2433 B9R0.45 FCCCCOCCCF 34a_100000759539_100000729493 [1,0,0,0,0,0|3,0,0]=4 2434 B9R0.45 FCCCCOCCCF 34a_100011995726_100011934791 [1,0,0,0,0,0|3,0,0]=4 2435 B9R0.45 FCCCCOCCCF 7a_100011995726_100011934791 [1,0,0,0,0,0|3,0,0]=4 2436 B9R0.45 FCCCCSCCCF 62a_100000729493_100011934791 [1,0,0,0,0,0|3,0,0]=4 2437 B9R0.45 FCCCCSCCCF 62a_100011934791_100000729493 [1,0,0,0,0,0|3,0,0]=4 2438 B9R0.45 FCCCOCCCCBr 34a_100011216708_100011934791 [1,0,0,0,0,0|3,0,0]=4 2439 B9R0.45 FCCCOCCCCCl 34a_100000210776_100011934791 [1,0,0,0,0,0|3,0,0]=4 2440 B9R0.45 FCCCOCCCCCl 7a_100000210776_100011934791 [1,0,0,0,0,0|3,0,0]=4 2441 B9R0.45 FCCCOCCCCI 34a_200012148704_100011934791 [1,0,0,0,0,0|3,0,0]=4 2442 B9R0.45 FCCOCCCCCBr 34a_100000746331_100011217306 [1,0,0,0,0,0|3,0,0]=4 2443 B9R0.45 FCCOCCCCCBr 7a_100000746331_100011217306 [1,0,0,0,0,0|3,0,0]=4 2444 B9R0.45 FCCOCCCCCCl 34a_100000746330_100011217306 [1,0,0,0,0,0|3,0,0]=4 2445 B9R0.45 FCCOCCCCCCl 7a_100000746330_100011217306 [1,0,0,0,0,0|3,0,0]=4 2446 B9R0.45 FCCOCCCCCI 34a_200012148887_100011217306 [1,0,0,0,0,0|3,0,0]=4 2447 B9R0.45 FCCOCCCCCI 7a_200012148887_100011217306 [1,0,0,0,0,0|3,0,0]=4 2448 B9R0.45 FCOCCCCCCBr 34a_100011215345_100015361967 [1,0,0,0,0,0|3,0,0]=4 2449 B9R0.45 FCOCCCCCCBr 7a_100011215345_100015361967 [1,0,0,0,0,0|3,0,0]=4 2450 B9R0.45 FCOCCCCCCCl 34a_100000766143_100015361967 [1,0,0,0,0,0|3,0,0]=4 2451 B9R0.45 FCOCCCCCCCl 7a_100000766143_100015361967 [1,0,0,0,0,0|3,0,0]=4 2452 B9R0.45 NCCCCCCOCF 34a_100000686447_100015361967 [1,0,0,0,0,0|3,0,0]=4 2453 B9R0.45 NCCCCCOCCF 34a_100000762737_100011217306 [1,0,0,0,0,0|3,0,0]=4 2454 B9R0.45 NCCCCCOCCO 34a_100000762737_100000211926 [1,0,0,0,0,0|3,0,0]=4 2455 B9R0.45 NCCCCOCCCF 34a_100000750430_100011934791 [1,0,0,0,0,0|3,0,0]=4 2456 B9R0.45 NCCCCOCCCO 34a_100000750430_100000230001 [1,0,0,0,0,0|3,0,0]=4 2457 B9R0.45 NCCCOCCCCF 34a_100000182051_100000729493 [1,0,0,0,0,0|3,0,0]=4 2458 B9R0.45 NCCCOCCCCO 34a_100000182051_100011216708 [1,0,0,0,0,0|3,0,0]=4 2459 B9R0.45 NCCOCCCCCF 34a_100000210304_100000729378 [1,0,0,0,0,0|3,0,0]=4 2460 B9R0.45 NCCOCCCCCO 34a_100000210304_100000746330 [1,0,0,0,0,0|3,0,0]=4 2461 B9R0.45 OCCCCCCNCF 34a_100000686447_100015361967 [1,0,0,0,0,0|3,0,0]=4 2462 B9R0.45 OCCCCCCSCF 62a_100000766143_100015361967 [1,0,0,0,0,0|3,0,0]=4 2463 B9R0.45 OCCCCCCSCF 62a_100015361967_100000766143 [1,0,0,0,0,0|3,0,0]=4 2464 B9R0.45 OCCCCCNCCF 2230a_100000762737_100011217306 [1,0,0,0,0,0|3,0,0]=4 2465 B9R0.45 OCCCCCNCCF 34a_100000724931_100000746330 [1,0,0,0,0,0|3,0,0]=4 2466 B9R0.45 OCCCCCNCCF 34a_100000762737_100011217306 [1,0,0,0,0,0|3,0,0]=4 2467 B9R0.45 OCCCCCNCCO 2230a_100000762737_100000211926 [1,0,0,0,0,0|3,0,0]=4 2468 B9R0.45 OCCCCCNCCO 2230a_100016997473_100000746330 [1,0,0,0,0,0|3,0,0]=4 2469 B9R0.45 OCCCCCNCCO 34a_100000762737_100000211926 [1,0,0,0,0,0|3,0,0]=4 2470 B9R0.45 OCCCCCNCCO 34a_100016990907_100000746330 [1,0,0,0,0,0|3,0,0]=4 2471 B9R0.45 OCCCCCOCCBr 34a_100000211926_100000746330 [1,0,0,0,0,0|3,0,0]=4 2472 B9R0.45 OCCCCCSCCF 62a_100000746330_100011217306 [1,0,0,0,0,0|3,0,0]=4 2473 B9R0.45 OCCCCCSCCF 62a_100011217306_100000746330 [1,0,0,0,0,0|3,0,0]=4 2474 B9R0.45 OCCCCCSCCO 62a_100000211926_100000746330 [1,0,0,0,0,0|3,0,0]=4 2475 B9R0.45 OCCCCCSCCO 62a_100000746330_100000211926 [1,0,0,0,0,0|3,0,0]=4 2476 B9R0.45 OCCCCNCCCF 2230a_100000750430_100011934791 [1,0,0,0,0,0|3,0,0]=4 2477 B9R0.45 OCCCCNCCCF 2230a_100015189416_100000210776 [1,0,0,0,0,0|3,0,0]=4 2478 B9R0.45 OCCCCNCCCF 34a_100000750430_100011934791 [1,0,0,0,0,0|3,0,0]=4 2479 B9R0.45 OCCCCNCCCF 34a_100015189416_100011216708 [1,0,0,0,0,0|3,0,0]=4 2480 B9R0.45 OCCCCNCCCO 2230a_100000750430_100000230001 [1,0,0,0,0,0|3,0,0]=4 2481 B9R0.45 OCCCCNCCCO 34a_100000750430_100000230001 [1,0,0,0,0,0|3,0,0]=4 2482 B9R0.45 OCCCCOCCCBr 34a_100011217188_100011216708 [1,0,0,0,0,0|3,0,0]=4 2483 B9R0.45 OCCCCOCCCCl 34a_100000230001_100011216708 [1,0,0,0,0,0|3,0,0]=4 2484 B9R0.45 OCCCCOCCCF 34a_100000759539_100011216708 [1,0,0,0,0,0|3,0,0]=4 2485 B9R0.45 OCCCCSCCCF 62a_100000210776_100011934791 [1,0,0,0,0,0|3,0,0]=4 2486 B9R0.45 OCCCCSCCCF 62a_100011934791_100000210776 [1,0,0,0,0,0|3,0,0]=4 2487 B9R0.45 OCCCCSCCCO 62a_100000210776_100011215043 [1,0,0,0,0,0|3,0,0]=4 2488 B9R0.45 OCCCCSCCCO 62a_100011215043_100000210776 [1,0,0,0,0,0|3,0,0]=4 2489 B9R0.45 OCCCOCCCCBr 34a_100011216708_100000230001 [1,0,0,0,0,0|3,0,0]=4 2490 B9R0.45 OCCCOCCCCCl 34a_100000210776_100000230001 [1,0,0,0,0,0|3,0,0]=4 2491 B9R0.45 OCCCOCCCCCl 7a_100000210776_100011215043 [1,0,0,0,0,0|3,0,0]=4 2492 B9R0.45 OCCCOCCCCF 34a_100011995726_100000230001 [1,0,0,0,0,0|3,0,0]=4 2493 B9R0.45 OCCCOCCCCF 7a_100011995726_100011215043 [1,0,0,0,0,0|3,0,0]=4 2494 B9R0.45 OCCCOCCCCI 34a_200012148704_100000230001 [1,0,0,0,0,0|3,0,0]=4 2495 B9R0.45 OCCCSCCCCF 62a_100000729493_100011215043 [1,0,0,0,0,0|3,0,0]=4 2496 B9R0.45 OCCCSCCCCF 62a_100011215043_100000729493 [1,0,0,0,0,0|3,0,0]=4 2497 B9R0.45 OCCNCCCCCF 2230a_100016997473_100000729378 [1,0,0,0,0,0|3,0,0]=4 2498 B9R0.45 OCCNCCCCCF 34a_100016990907_100000729378 [1,0,0,0,0,0|3,0,0]=4 2499 B9R0.45 OCCOCCCCCBr 34a_100000746331_100000211926 [1,0,0,0,0,0|3,0,0]=4 2500 B9R0.45 OCCOCCCCCBr 7a_100000746331_100000211926 [1,0,0,0,0,0|3,0,0]=4 2501 B9R0.45 OCCOCCCCCCl 34a_100000746330_100000211926 [1,0,0,0,0,0|3,0,0]=4 2502 B9R0.45 OCCOCCCCCCl 7a_100000746330_100000211926 [1,0,0,0,0,0|3,0,0]=4 2503 B9R0.45 OCCOCCCCCI 34a_200012148887_100000211926 [1,0,0,0,0,0|3,0,0]=4 2504 B9R0.45 OCCOCCCCCI 7a_200012148887_100000211926 [1,0,0,0,0,0|3,0,0]=4 2505 B9R0.45 OCCSCCCCCF 62a_100000211926_100000729378 [1,0,0,0,0,0|3,0,0]=4 2506 B9R0.45 OCCSCCCCCF 62a_100000729378_100000211926 [1,0,0,0,0,0|3,0,0]=4 2507 B9R0.45 [13CH3]NCCCCCCCO 2230a_100011996573_200025704644 [1,0,0,0,0,0|2,0,0]=3 2508 B9R0.45 [13CH3]NCCCCCCCO 34a_100011996573_200025704644 [1,0,0,0,0,0|2,0,0]=3 2509 B9R0.45 [13CH3]NCCCOCCCO 2230a_100011310245_200025704644 [1,0,0,0,0,0|3,0,0]=4 2510 B9R0.45 [13CH3]NCCCOCCCO 34a_100011310245_200025704644 [1,0,0,0,0,0|3,0,0]=4 2511 B9R0.45 [13CH3]OCCCCCCCBr 34a_100000760002_200025704644 [1,0,0,0,0,0|2,0,0]=3 2512 B9R0.45 [13CH3]OCCCCCCCBr 7a_100000760002_200025704644 [1,0,0,0,0,0|2,0,0]=3 2513 B9R0.45 [13CH3]OCCCCCCCN 34a_100011996573_200025704644 [1,0,0,0,0,0|2,0,0]=3 2514 B9R0.45 [13CH3]OCCCOCCCN 34a_100011310245_200025704644 [1,0,0,0,0,0|3,0,0]=4 2515 B9R0.45 [13CH3]SCCCCCCC#N 62a_100009813337_200025704644 [1,0,0,0,0,0|2,0,1]=4 2516 B9R0.45 [13CH3]SCCCCCCC#N 62a_200025704644_100009813337 [1,0,0,0,0,0|2,0,1]=4 2517 B9R0.45 [13CH3]SCCCCCCCO 62a_100000760002_200025704644 [1,0,0,0,0,0|2,0,0]=3 2518 B9R0.45 [13CH3]SCCCCCCCO 62a_200025704644_100000760002 [1,0,0,0,0,0|2,0,0]=3 2519 B9R0.46 C#CCCNCC(O)CC 2230a_100011218483_100000688953 [1,0,0,0,0,0|1,0,2]=4 2520 B9R0.46 C#CCCNCC(O)CC 34a_100000755551_100011218378 [1,0,0,0,0,0|1,0,2]=4 2521 B9R0.46 C#CCCOCC(O)CC 34a_100011215631_100011218378 [1,0,0,0,0,0|1,0,2]=4 2522 B9R0.46 C#CCCSCC(O)CC 62a_100000688953_100011218378 [1,0,0,0,0,0|1,0,2]=4 2523 B9R0.46 C#CCCSCC(O)CC 62a_100011218378_100000688953 [1,0,0,0,0,0|1,0,2]=4 2524 B9R0.46 C/C=C/COCC(O)CC 34a_100016270725_100011218378 [1,0,0,0,0,0|1,0,2]=4 2525 B9R0.46 C/C=C/CSCC(O)CC 62a_100011218378_100102629194 [1,0,0,0,0,0|1,0,2]=4 2526 B9R0.46 C/C=C/CSCC(O)CC 62a_100102629194_100011218378 [1,0,0,0,0,0|1,0,2]=4 2527 B9R0.46 C=CC(O)CNCCCC 2230a_100000102301_100000730141 [1,0,0,0,0,0|1,0,2]=4 2528 B9R0.46 C=CC(O)CNCCCC 7a_106832991798_100000730141 [1,0,0,0,0,0|1,0,2]=4 2529 B9R0.46 C=CC(O)COCCCC 34a_100000210227_100000730141 [1,0,0,0,0,0|1,0,2]=4 2530 B9R0.46 C=CC(O)COCCCC 7a_100000210227_100000730141 [1,0,0,0,0,0|1,0,2]=4 2531 B9R0.46 C=CC(O)CSCCCC 62a_100000210211_100000730141 [1,0,0,0,0,0|1,0,2]=4 2532 B9R0.46 C=CC(O)CSCCCC 62a_100000730141_100000210210 [1,0,0,0,0,0|1,0,2]=4 2533 B9R0.46 C=CCCNCC(O)CC 2230a_100011218483_100000754431 [1,0,0,0,0,0|1,0,2]=4 2534 B9R0.46 C=CCCNCC(O)CC 2230a_100015191253_100011218378 [1,0,0,0,0,0|1,0,2]=4 2535 B9R0.46 C=CCCOCC(O)CC 34a_100011205117_100011218378 [1,0,0,0,0,0|1,0,2]=4 2536 B9R0.46 C=CCCSCC(O)CC 62a_100000754431_100011218378 [1,0,0,0,0,0|1,0,2]=4 2537 B9R0.46 C=CCCSCC(O)CC 62a_100011218378_100000754431 [1,0,0,0,0,0|1,0,2]=4 2538 B9R0.46 CC#CCNCC(O)CC 2230a_100000685387_100011218378 [1,0,0,0,0,0|1,0,2]=4 2539 B9R0.46 CC#CCNCC(O)CC 2230a_100011218483_100000748600 [1,0,0,0,0,0|1,0,2]=4 2540 B9R0.46 CC#CCNCC(O)CC 34a_100000685387_100011218378 [1,0,0,0,0,0|1,0,2]=4 2541 B9R0.46 CC#CCOCC(O)CC 34a_100000761923_100011218378 [1,0,0,0,0,0|1,0,2]=4 2542 B9R0.46 CC#CCSCC(O)CC 62a_100000748600_100011218378 [1,0,0,0,0,0|1,0,2]=4 2543 B9R0.46 CC#CCSCC(O)CC 62a_100011218378_100000748600 [1,0,0,0,0,0|1,0,2]=4 2544 B9R0.46 CC=CCNCC(O)CC 2230a_100011218483_100000070051 [1,0,0,0,0,0|1,0,2]=4 2545 B9R0.46 CC=CCSCC(O)CC 62a_100000070051_100011218378 [1,0,0,0,0,0|1,0,2]=4 2546 B9R0.46 CC=CCSCC(O)CC 62a_100011218378_100000070051 [1,0,0,0,0,0|1,0,2]=4 2547 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [1,0,0,0,0,0|1,0,2]=4 2548 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [1,0,0,0,0,0|1,0,2]=4 2549 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [1,0,0,0,0,0|1,0,2]=4 2550 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [1,0,0,0,0,0|1,0,2]=4 2551 B9R0.46 CCC(C)CCCOCF 7a_100011216074_100015361967 [1,0,0,0,0,0|3,0,0]=4 2552 B9R0.46 CCC(C)CCNCCF 2230a_100020591266_100011217306 [1,0,0,0,0,0|3,0,0]=4 2553 B9R0.46 CCC(C)CCNCCO 2230a_100020591266_100000211926 [1,0,0,0,0,0|3,0,0]=4 2554 B9R0.46 CCC(C)CCNCOC 2230a_100020591266_100000766300 [1,0,0,0,0,0|3,0,0]=4 2555 B9R0.46 CCC(C)CCNCSC 2230a_100020591266_100011218213 [1,0,0,0,0,0|3,0,0]=4 2556 B9R0.46 CCC(C)CCOCCF 7a_100011215188_100011217306 [1,0,0,0,0,0|3,0,0]=4 2557 B9R0.46 CCC(C)CCOCCO 7a_100011215188_100000211926 [1,0,0,0,0,0|3,0,0]=4 2558 B9R0.46 CCC(C)CNCCCF 2230a_100015189416_100000748023 [1,0,0,0,0,0|3,0,0]=4 2559 B9R0.46 CCC(C)CNCCCF 2230a_100020588543_100011934791 [1,0,0,0,0,0|3,0,0]=4 2560 B9R0.46 CCC(C)CNCCCF 270004a_100015189416_100000243153 [1,0,0,0,0,0|3,0,0]=4 2561 B9R0.46 CCC(C)CNCCCF 34a_100015189416_100000748023 [1,0,0,0,0,0|3,0,0]=4 2562 B9R0.46 CCC(C)CNCCCO 2230a_100020588543_100000230001 [1,0,0,0,0,0|3,0,0]=4 2563 B9R0.46 CCC(C)CNCCCO 270004a_100000182051_100000243153 [1,0,0,0,0,0|3,0,0]=4 2564 B9R0.46 CCC(C)CNCCOC 2230a_100000209980_100000748023 [1,0,0,0,0,0|3,0,0]=4 2565 B9R0.46 CCC(C)CNCCOC 2230a_100020588543_100011201679 [1,0,0,0,0,0|3,0,0]=4 2566 B9R0.46 CCC(C)CNCCOC 270004a_100000209980_100000243153 [1,0,0,0,0,0|3,0,0]=4 2567 B9R0.46 CCC(C)CNCCSC 2230a_100020588543_100000751147 [1,0,0,0,0,0|3,0,0]=4 2568 B9R0.46 CCC(C)CNCCSC 2230a_100020590264_100000748023 [1,0,0,0,0,0|3,0,0]=4 2569 B9R0.46 CCC(C)CNCCSC 270004a_100020590264_100000243153 [1,0,0,0,0,0|3,0,0]=4 2570 B9R0.46 CCC(C)COCCCBr 34a_100011217188_100000748023 [1,0,0,0,0,0|3,0,0]=4 2571 B9R0.46 CCC(C)COCCCCl 34a_100000230001_100000748023 [1,0,0,0,0,0|3,0,0]=4 2572 B9R0.46 CCC(C)COCCCF 34a_100000759539_100000748023 [1,0,0,0,0,0|3,0,0]=4 2573 B9R0.46 CCC(C)COCCCN 34a_100000182051_100000748023 [1,0,0,0,0,0|3,0,0]=4 2574 B9R0.46 CCC(C)COCCOC 34a_100000210237_100000748023 [1,0,0,0,0,0|3,0,0]=4 2575 B9R0.46 CCC(C)COCCSC 34a_100000230434_100000748023 [1,0,0,0,0,0|3,0,0]=4 2576 B9R0.46 CCC(C)COCCSC 7a_100000230434_100000748023 [1,0,0,0,0,0|3,0,0]=4 2577 B9R0.46 CCC(C)CSCCCF 62a_100000748023_100011934791 [1,0,0,0,0,0|3,0,0]=4 2578 B9R0.46 CCC(C)CSCCCF 62a_100011934791_100000748023 [1,0,0,0,0,0|3,0,0]=4 2579 B9R0.46 CCC(C)CSCCCO 62a_100000748023_100011215043 [1,0,0,0,0,0|3,0,0]=4 2580 B9R0.46 CCC(C)CSCCCO 62a_100011215043_100000748023 [1,0,0,0,0,0|3,0,0]=4 2581 B9R0.46 CCC(C)CSCCOC 62a_100000233755_100000748023 [1,0,0,0,0,0|3,0,0]=4 2582 B9R0.46 CCC(C)CSCCOC 62a_100000748023_100000233755 [1,0,0,0,0,0|3,0,0]=4 2583 B9R0.46 CCC(C)CSCCSC 62a_100000212216_100000748023 [1,0,0,0,0,0|3,0,0]=4 2584 B9R0.46 CCC(C)CSCCSC 62a_100000748023_100000751147 [1,0,0,0,0,0|3,0,0]=4 2585 B9R0.46 CCC(C)NCCCCF 2230a_100000209981_100000729493 [1,0,0,0,0,0|3,0,0]=4 2586 B9R0.46 CCC(C)NCCCCO 2230a_100000209981_100000210776 [1,0,0,0,0,0|3,0,0]=4 2587 B9R0.46 CCC(C)NCCCCO 2230a_100000750430_100000758301 [1,0,0,0,0,0|3,0,0]=4 2588 B9R0.46 CCC(C)NCCCCO 34a_100000750430_100011215416 [1,0,0,0,0,0|3,0,0]=4 2589 B9R0.46 CCC(C)NCCCOC 2230a_100000209981_100000740836 [1,0,0,0,0,0|3,0,0]=4 2590 B9R0.46 CCC(C)NCCCOC 34a_100150723488_100011215416 [1,0,0,0,0,0|3,0,0]=4 2591 B9R0.46 CCC(C)NCCCSC 2230a_100000749238_100000758301 [1,0,0,0,0,0|3,0,0]=4 2592 B9R0.46 CCC(C)OCCCCBr 34a_100011216708_100011215416 [1,0,0,0,0,0|3,0,0]=4 2593 B9R0.46 CCC(C)OCCCCCl 34a_100000210776_100011215416 [1,0,0,0,0,0|3,0,0]=4 2594 B9R0.46 CCC(C)OCCCCCl 7a_100000210776_100000758301 [1,0,0,0,0,0|3,0,0]=4 2595 B9R0.46 CCC(C)OCCCCF 34a_100011995726_100011215416 [1,0,0,0,0,0|3,0,0]=4 2596 B9R0.46 CCC(C)OCCCCF 7a_100000210228_100000729493 [1,0,0,0,0,0|3,0,0]=4 2597 B9R0.46 CCC(C)OCCCCF 7a_100011995726_100000758301 [1,0,0,0,0,0|3,0,0]=4 2598 B9R0.46 CCC(C)OCCCCI 34a_200012148704_100011215416 [1,0,0,0,0,0|3,0,0]=4 2599 B9R0.46 CCC(C)OCCCCN 34a_100000750430_100011215416 [1,0,0,0,0,0|3,0,0]=4 2600 B9R0.46 CCC(C)OCCCCO 7a_100000210228_100000210776 [1,0,0,0,0,0|3,0,0]=4 2601 B9R0.46 CCC(C)OCCCNC 34a_100000213112_100011215416 [1,0,0,0,0,0|3,0,0]=4 2602 B9R0.46 CCC(C)OCCCOC 34a_100000740835_100011215416 [1,0,0,0,0,0|3,0,0]=4 2603 B9R0.46 CCC(C)OCCCOC 7a_100000210228_100000740836 [1,0,0,0,0,0|3,0,0]=4 2604 B9R0.46 CCC(C)OCCCSC 34a_100000690336_100011215416 [1,0,0,0,0,0|3,0,0]=4 2605 B9R0.46 CCC(C)OCCCSC 7a_100000690336_100000758301 [1,0,0,0,0,0|3,0,0]=4 2606 B9R0.46 CCC(C)SCCCCF 62a_100000729493_100000758301 [1,0,0,0,0,0|3,0,0]=4 2607 B9R0.46 CCC(C)SCCCCF 62a_100000758301_100000729493 [1,0,0,0,0,0|3,0,0]=4 2608 B9R0.46 CCC(C)SCCCCO 62a_100000210776_100000758301 [1,0,0,0,0,0|3,0,0]=4 2609 B9R0.46 CCC(C)SCCCCO 62a_100000758301_100000210776 [1,0,0,0,0,0|3,0,0]=4 2610 B9R0.46 CCC(C)SCCCOC 62a_100000709357_100000758301 [1,0,0,0,0,0|3,0,0]=4 2611 B9R0.46 CCC(C)SCCCOC 62a_100000758301_100000709357 [1,0,0,0,0,0|3,0,0]=4 2612 B9R0.46 CCC(O)CNCCC#N 2230a_100011218483_100011215226 [1,0,0,0,0,0|2,0,1]=4 2613 B9R0.46 CCC(O)CNCCCF 2230a_100011218483_100011934791 [1,0,0,0,0,0|2,0,0]=3 2614 B9R0.46 CCC(O)CNCCCF 2230a_100015189416_100011218378 [1,0,0,0,0,0|2,0,0]=3 2615 B9R0.46 CCC(O)CNCCCF 34a_100015189416_100011218378 [1,0,0,0,0,0|2,0,0]=3 2616 B9R0.46 CCC(O)CNCCCO 2230a_100011218483_100000230001 [1,0,0,0,0,0|2,0,0]=3 2617 B9R0.46 CCC(O)CNCCOC 2230a_100000209980_100011218378 [1,0,0,0,0,0|2,0,0]=3 2618 B9R0.46 CCC(O)CNCCOC 2230a_100011218483_100011201679 [1,0,0,0,0,0|2,0,0]=3 2619 B9R0.46 CCC(O)CNCCSC 2230a_100011218483_100000751147 [1,0,0,0,0,0|2,0,0]=3 2620 B9R0.46 CCC(O)CNCCSC 2230a_100020590264_100011218378 [1,0,0,0,0,0|2,0,0]=3 2621 B9R0.46 CCC(O)COCCCBr 34a_100011217188_100011218378 [1,0,0,0,0,0|2,0,0]=3 2622 B9R0.46 CCC(O)COCCCCl 34a_100000230001_100011218378 [1,0,0,0,0,0|2,0,0]=3 2623 B9R0.46 CCC(O)COCCCF 34a_100000759539_100011218378 [1,0,0,0,0,0|2,0,0]=3 2624 B9R0.46 CCC(O)COCCCN 34a_100000182051_100011218378 [1,0,0,0,0,0|2,0,0]=3 2625 B9R0.46 CCC(O)COCCOC 34a_100000210237_100011218378 [1,0,0,0,0,0|2,0,0]=3 2626 B9R0.46 CCC(O)COCCON 34a_100000700252_100011218378 [1,0,0,0,0,0|3,0,0]=4 2627 B9R0.46 CCC(O)COCCSC 34a_100000230434_100011218378 [1,0,0,0,0,0|2,0,0]=3 2628 B9R0.46 CCC(O)COCCSC 7a_100000230434_100011218378 [1,0,0,0,0,0|2,0,0]=3 2629 B9R0.46 CCC(O)CSCCC#N 62a_100011215226_100011218378 [1,0,0,0,0,0|2,0,1]=4 2630 B9R0.46 CCC(O)CSCCC#N 62a_100011218378_100011215226 [1,0,0,0,0,0|2,0,1]=4 2631 B9R0.46 CCC(O)CSCCCF 62a_100011218378_100011934791 [1,0,0,0,0,0|2,0,0]=3 2632 B9R0.46 CCC(O)CSCCCF 62a_100011934791_100011218378 [1,0,0,0,0,0|2,0,0]=3 2633 B9R0.46 CCC(O)CSCCCO 62a_100011215043_100011218378 [1,0,0,0,0,0|2,0,0]=3 2634 B9R0.46 CCC(O)CSCCCO 62a_100011218378_100011215043 [1,0,0,0,0,0|2,0,0]=3 2635 B9R0.46 CCC(O)CSCCOC 62a_100000233755_100011218378 [1,0,0,0,0,0|2,0,0]=3 2636 B9R0.46 CCC(O)CSCCOC 62a_100011218378_100000233755 [1,0,0,0,0,0|2,0,0]=3 2637 B9R0.46 CCC(O)CSCCSC 62a_100000212216_100011218378 [1,0,0,0,0,0|2,0,0]=3 2638 B9R0.46 CCC(O)CSCCSC 62a_100011218378_100000751147 [1,0,0,0,0,0|2,0,0]=3 2639 B9R0.46 CCC=NNCC(O)CC 4a_100015206393_100000210100 [1,0,0,0,0,0|2,0,1]=4 2640 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [1,0,0,0,0,0|0,0,2]=3 2641 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [1,0,0,0,0,0|0,0,2]=3 2642 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [1,0,0,0,0,0|1,0,2]=4 2643 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [1,0,0,0,0,0|1,0,2]=4 2644 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [1,0,0,0,0,0|1,0,2]=4 2645 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [1,0,0,0,0,0|1,0,2]=4 2646 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [1,0,0,0,0,0|1,0,2]=4 2647 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [1,0,0,0,0,0|1,0,2]=4 2648 B9R0.46 CCCCCCC(C)NC 2230a_100000210919_200000210301 [1,0,0,0,0,0|2,0,0]=3 2649 B9R0.46 CCCCCCC(C)NC 2230a_106832991635_100011215978 [1,0,0,0,0,0|2,0,0]=3 2650 B9R0.46 CCCCCCC(C)NC 270004a_106832991635_100000210826 [1,0,0,0,0,0|2,0,0]=3 2651 B9R0.46 CCCCCCC(C)NC 34a_100000210919_200000210301 [1,0,0,0,0,0|2,0,0]=3 2652 B9R0.46 CCCCCCC(C)NC 34a_100102657272_100011215978 [1,0,0,0,0,0|2,0,0]=3 2653 B9R0.46 CCCCCCC(C)NC 7a_106832991635_100011215978 [1,0,0,0,0,0|2,0,0]=3 2654 B9R0.46 CCCCCCC(C)N[13CH3] 2230a_100000210919_200025704644 [1,0,0,0,0,0|2,0,0]=3 2655 B9R0.46 CCCCCCC(C)N[13CH3] 34a_100000210919_200025704644 [1,0,0,0,0,0|2,0,0]=3 2656 B9R0.46 CCCCCCC(C)OC 34a_100000210265_200000210301 [1,0,0,0,0,0|2,0,0]=3 2657 B9R0.46 CCCCCCC(C)OC 34a_100138415774_100011215978 [1,0,0,0,0,0|2,0,0]=3 2658 B9R0.46 CCCCCCC(C)OC 7a_100000210265_200000210301 [1,0,0,0,0,0|2,0,0]=3 2659 B9R0.46 CCCCCCC(C)O[13CH3] 34a_100000210265_200025704644 [1,0,0,0,0,0|2,0,0]=3 2660 B9R0.46 CCCCCCC(C)O[13CH3] 7a_100000210265_200025704644 [1,0,0,0,0,0|2,0,0]=3 2661 B9R0.46 CCCCCCC(C)SC 62a_100011215978_200000210301 [1,0,0,0,0,0|2,0,0]=3 2662 B9R0.46 CCCCCCC(C)SC 62a_200000210301_100011215978 [1,0,0,0,0,0|2,0,0]=3 2663 B9R0.46 CCCCCCC(C)S[13CH3] 62a_100011215978_200025704644 [1,0,0,0,0,0|2,0,0]=3 2664 B9R0.46 CCCCCCC(C)S[13CH3] 62a_200025704644_100011215978 [1,0,0,0,0,0|2,0,0]=3 2665 B9R0.46 CCCCCCN(C)CC 2230a_100000225621_100000210314 [1,0,0,0,0,0|2,0,0]=3 2666 B9R0.46 CCCCCCN(C)CC 2230a_106256046315_100000210202 [1,0,0,0,0,0|2,0,0]=3 2667 B9R0.46 CCCCCCN(C)CC 269982a_100000225621_100000210757 [1,0,0,0,0,0|2,0,0]=3 2668 B9R0.46 CCCCCCN(C)CC 269982a_106256046315_100000204670 [1,0,0,0,0,0|2,0,0]=3 2669 B9R0.46 CCCCCCN(C)CF 269982a_106256046315_100015361967 [1,0,0,0,0,0|3,0,0]=4 2670 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [1,0,0,0,0,0|1,0,2]=4 2671 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [1,0,0,0,0,0|1,0,2]=4 2672 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [1,0,0,0,0,0|1,0,2]=4 2673 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [1,0,0,0,0,0|1,0,2]=4 2674 B9R0.46 CCCCCNC(C)CC 2230a_100000209981_100000210326 [1,0,0,0,0,0|2,0,0]=3 2675 B9R0.46 CCCCCNC(C)CC 2230a_100000209983_100000758301 [1,0,0,0,0,0|2,0,0]=3 2676 B9R0.46 CCCCCNC(C)CO 2230a_100000209983_100012180447 [1,0,0,0,0,0|3,0,0]=4 2677 B9R0.46 CCCCCN[C@H](C)CO 2230a_100000737577_100000210326 [1,0,0,0,0,0|3,0,0]=4 2678 B9R0.46 CCCCCOC(C)CC 34a_100000210253_100011215416 [1,0,0,0,0,0|2,0,0]=3 2679 B9R0.46 CCCCCOC(C)CC 7a_100000210228_100000210326 [1,0,0,0,0,0|2,0,0]=3 2680 B9R0.46 CCCCCOC(C)CC 7a_100000210253_100000758301 [1,0,0,0,0,0|2,0,0]=3 2681 B9R0.46 CCCCCOC(C)CF 34a_100016041109_100000718602 [1,0,0,0,0,0|3,0,0]=4 2682 B9R0.46 CCCCCOC(C)CF 7a_100016041109_100000210326 [1,0,0,0,0,0|3,0,0]=4 2683 B9R0.46 CCCCCOC(C)CN 34a_100000210904_100000718602 [1,0,0,0,0,0|3,0,0]=4 2684 B9R0.46 CCCCCOC(C)CO 34a_100000210253_100012180447 [1,0,0,0,0,0|3,0,0]=4 2685 B9R0.46 CCCCCOC(C)CO 7a_100000210253_100012180447 [1,0,0,0,0,0|3,0,0]=4 2686 B9R0.46 CCCCCSC(C)CC 62a_100000210326_100000758301 [1,0,0,0,0,0|2,0,0]=3 2687 B9R0.46 CCCCCSC(C)CC 62a_100000758301_100000210326 [1,0,0,0,0,0|2,0,0]=3 2688 B9R0.46 CCCCCSC(C)CO 62a_100012180447_100000210326 [1,0,0,0,0,0|3,0,0]=4 2689 B9R0.46 CCCCCSC(C)OC 62a_100000210326_100009879195 [1,0,0,0,0,0|3,0,0]=4 2690 B9R0.46 CCCCCSC(C)OC 62a_100009879195_100000210326 [1,0,0,0,0,0|3,0,0]=4 2691 B9R0.46 CCCCCS[C@H](C)CO 62a_100000210326_100016084084 [1,0,0,0,0,0|3,0,0]=4 2692 B9R0.46 CCCCCS[C@H](C)CO 62a_100016084084_100000210326 [1,0,0,0,0,0|3,0,0]=4 2693 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [1,0,0,0,0,0|1,0,2]=4 2694 B9R0.46 CCCCNCC(C)CC 2230a_100000102301_100000748023 [1,0,0,0,0,0|2,0,0]=3 2695 B9R0.46 CCCCNCC(C)CC 2230a_100020588543_100000210211 [1,0,0,0,0,0|2,0,0]=3 2696 B9R0.46 CCCCNCC(C)CC 270004a_100000102301_100000243153 [1,0,0,0,0,0|2,0,0]=3 2697 B9R0.46 CCCCNCC(C)CC 7a_106832991798_100000748023 [1,0,0,0,0,0|2,0,0]=3 2698 B9R0.46 CCCCNCC(C)CO 34a_100000744482_100000210210 [1,0,0,0,0,0|3,0,0]=4 2699 B9R0.46 CCCCNCC(O)CC 2230a_100000102301_100011218378 [1,0,0,0,0,0|1,0,0]=2 2700 B9R0.46 CCCCNCC(O)CC 2230a_100011218483_100000210211 [1,0,0,0,0,0|1,0,0]=2 2701 B9R0.46 CCCCNCC(O)CC 7a_106832991798_100011218378 [1,0,0,0,0,0|1,0,0]=2 2702 B9R0.46 CCCCNCC(O)CO 2230a_100000102301_100011219619 [1,0,0,0,0,0|2,0,0]=3 2703 B9R0.46 CCCCNCC(O)CO 7a_106832991798_100011219619 [1,0,0,0,0,0|2,0,0]=3 2704 B9R0.46 CCCCNC[C@@H](C)CC 2230a_100000102301_100009816398 [1,0,0,0,0,0|2,0,0]=3 2705 B9R0.46 CCCCNC[C@@H](C)CC 7a_106832991798_100009816398 [1,0,0,0,0,0|2,0,0]=3 2706 B9R0.46 CCCCNC[C@@H](C)CO 2230a_100000102301_100000059175 [1,0,0,0,0,0|3,0,0]=4 2707 B9R0.46 CCCCNC[C@@H](C)CO 7a_106832991798_100000059175 [1,0,0,0,0,0|3,0,0]=4 2708 B9R0.46 CCCCNC[C@@H](C)OC 2230a_100020591295_100000210211 [1,0,0,0,0,0|3,0,0]=4 2709 B9R0.46 CCCCNC[C@@H](F)CO 34a_100015665980_100000210210 [1,0,0,0,0,0|3,0,0]=4 2710 B9R0.46 CCCCNC[C@@H](O)CF 2230a_100000102301_100015614560 [1,0,0,0,0,0|2,0,0]=3 2711 B9R0.46 CCCCNC[C@@H](O)CF 7a_106832991798_100015614560 [1,0,0,0,0,0|2,0,0]=3 2712 B9R0.46 CCCCNC[C@@H](O)CO 2230a_100000102301_100009815848 [1,0,0,0,0,0|2,0,0]=3 2713 B9R0.46 CCCCNC[C@@H](O)CO 7a_106832991798_100009815848 [1,0,0,0,0,0|2,0,0]=3 2714 B9R0.46 CCCCNC[C@H](O)CO 2230a_100020644852_100000210211 [1,0,0,0,0,0|2,0,0]=3 2715 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [1,0,0,0,0,0|1,0,2]=4 2716 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [1,0,0,0,0,0|1,0,2]=4 2717 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [1,0,0,0,0,0|1,0,2]=4 2718 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [1,0,0,0,0,0|1,0,2]=4 2719 B9R0.46 CCCCOCC(C)CC 34a_100000210227_100000748023 [1,0,0,0,0,0|2,0,0]=3 2720 B9R0.46 CCCCOCC(C)CC 7a_100000210227_100000748023 [1,0,0,0,0,0|2,0,0]=3 2721 B9R0.46 CCCCOCC(C)CN 34a_100000744482_100000210210 [1,0,0,0,0,0|3,0,0]=4 2722 B9R0.46 CCCCOCC(C)OC 34a_100000690652_100000210210 [1,0,0,0,0,0|3,0,0]=4 2723 B9R0.46 CCCCOCC(C)OC 34a_100011217071_200000210301 [1,0,0,0,0,0|3,0,0]=4 2724 B9R0.46 CCCCOCC(C)OC 7a_100011217071_200000210301 [1,0,0,0,0,0|3,0,0]=4 2725 B9R0.46 CCCCOCC(C)O[13CH3] 34a_100011217071_200025704644 [1,0,0,0,0,0|3,0,0]=4 2726 B9R0.46 CCCCOCC(C)O[13CH3] 7a_100011217071_200025704644 [1,0,0,0,0,0|3,0,0]=4 2727 B9R0.46 CCCCOCC(Cl)CCl 34a_100000033668_100000210210 [1,0,0,0,0,0|3,0,0]=4 2728 B9R0.46 CCCCOCC(O)CC 34a_100000210227_100011218378 [1,0,0,0,0,0|1,0,0]=2 2729 B9R0.46 CCCCOCC(O)CC 7a_100000210227_100011218378 [1,0,0,0,0,0|1,0,0]=2 2730 B9R0.46 CCCCOCC(O)CO 34a_100000210227_100011219619 [1,0,0,0,0,0|2,0,0]=3 2731 B9R0.46 CCCCOCC(O)CO 7a_100000210227_100011219619 [1,0,0,0,0,0|2,0,0]=3 2732 B9R0.46 CCCCOCN(C)CC 2230a_100000225621_100011995733 [1,0,0,0,0,0|3,0,0]=4 2733 B9R0.46 CCCCOCN(C)CC 269982a_100000225621_100011995733 [1,0,0,0,0,0|3,0,0]=4 2734 B9R0.46 CCCCOC[C@@H](C)CC 34a_100000210227_100009816398 [1,0,0,0,0,0|2,0,0]=3 2735 B9R0.46 CCCCOC[C@@H](C)CC 7a_100000210227_100009816398 [1,0,0,0,0,0|2,0,0]=3 2736 B9R0.46 CCCCOC[C@@H](C)CC 7a_100009816381_100000210211 [1,0,0,0,0,0|2,0,0]=3 2737 B9R0.46 CCCCOC[C@@H](C)CO 34a_100000210227_100000059175 [1,0,0,0,0,0|3,0,0]=4 2738 B9R0.46 CCCCOC[C@@H](C)CO 7a_100000210227_100000059175 [1,0,0,0,0,0|3,0,0]=4 2739 B9R0.46 CCCCOC[C@@H](O)CF 34a_100000210227_100015614560 [1,0,0,0,0,0|2,0,0]=3 2740 B9R0.46 CCCCOC[C@@H](O)CF 7a_100000210227_100015614560 [1,0,0,0,0,0|2,0,0]=3 2741 B9R0.46 CCCCOC[C@@H](O)CO 34a_100000210227_100009815848 [1,0,0,0,0,0|2,0,0]=3 2742 B9R0.46 CCCCOC[C@@H](O)CO 7a_100000210227_100009815848 [1,0,0,0,0,0|2,0,0]=3 2743 B9R0.46 CCCCOC[C@H](F)CN 34a_100015665980_100000210210 [1,0,0,0,0,0|3,0,0]=4 2744 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [1,0,0,0,0,0|1,0,2]=4 2745 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [1,0,0,0,0,0|1,0,2]=4 2746 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [1,0,0,0,0,0|1,0,2]=4 2747 B9R0.46 CCCCSCC(C)CC 62a_100000210211_100000748023 [1,0,0,0,0,0|2,0,0]=3 2748 B9R0.46 CCCCSCC(C)CC 62a_100000748023_100000210210 [1,0,0,0,0,0|2,0,0]=3 2749 B9R0.46 CCCCSCC(O)CC 62a_100000210211_100011218378 [1,0,0,0,0,0|1,0,0]=2 2750 B9R0.46 CCCCSCC(O)CC 62a_100011218378_100000210210 [1,0,0,0,0,0|1,0,0]=2 2751 B9R0.46 CCCCSCC(O)CO 62a_100000210211_100011219619 [1,0,0,0,0,0|2,0,0]=3 2752 B9R0.46 CCCCSCC(O)CO 62a_100011219619_100000210210 [1,0,0,0,0,0|2,0,0]=3 2753 B9R0.46 CCCCSC[C@@H](C)CC 62a_100000210211_100009816398 [1,0,0,0,0,0|2,0,0]=3 2754 B9R0.46 CCCCSC[C@@H](C)CC 62a_100009816398_100000210210 [1,0,0,0,0,0|2,0,0]=3 2755 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000059175_100000210210 [1,0,0,0,0,0|3,0,0]=4 2756 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000210211_100000059175 [1,0,0,0,0,0|3,0,0]=4 2757 B9R0.46 CCCCSC[C@@H](O)CF 62a_100000210211_100015614560 [1,0,0,0,0,0|2,0,0]=3 2758 B9R0.46 CCCCSC[C@@H](O)CF 62a_100015614560_100000210210 [1,0,0,0,0,0|2,0,0]=3 2759 B9R0.46 CCCCSC[C@@H](O)CO 62a_100000210211_100009815848 [1,0,0,0,0,0|2,0,0]=3 2760 B9R0.46 CCCCSC[C@@H](O)CO 62a_100009815848_100000210210 [1,0,0,0,0,0|2,0,0]=3 2761 B9R0.46 CCCNCCC(C)CC 2230a_100020591266_100000210303 [1,0,0,0,0,0|2,0,0]=3 2762 B9R0.46 CCCNCCC(C)CO 2230a_106354213184_100000210303 [1,0,0,0,0,0|3,0,0]=4 2763 B9R0.46 CCCNCCC(C)CO 34a_106354213184_100000210303 [1,0,0,0,0,0|3,0,0]=4 2764 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [1,0,0,0,0,0|1,0,2]=4 2765 B9R0.46 CCCOCCC(C)CC 7a_100011215188_100000210303 [1,0,0,0,0,0|2,0,0]=3 2766 B9R0.46 CCCOCCC(C)OC 7a_100000764861_100000210303 [1,0,0,0,0,0|3,0,0]=4 2767 B9R0.46 CCCOCCN(C)CC 2230a_100000225621_100011215938 [1,0,0,0,0,0|3,0,0]=4 2768 B9R0.46 CCCOCCN(C)CC 269982a_100000225621_100011215938 [1,0,0,0,0,0|3,0,0]=4 2769 B9R0.46 CCN(C)CCCCCF 2230a_100000225621_100000729378 [1,0,0,0,0,0|3,0,0]=4 2770 B9R0.46 CCN(C)CCCCCF 269982a_100000225621_100000729378 [1,0,0,0,0,0|3,0,0]=4 2771 B9R0.46 CCN(C)CCCCCO 2230a_100000225621_100000746330 [1,0,0,0,0,0|3,0,0]=4 2772 B9R0.46 CCN(C)CCCCCO 2230a_100000722520_100000210202 [1,0,0,0,0,0|3,0,0]=4 2773 B9R0.46 CCN(C)CCCCCO 269982a_100000225621_100000746330 [1,0,0,0,0,0|3,0,0]=4 2774 B9R0.46 CCN(C)CCCCCO 269982a_100000722520_100000204670 [1,0,0,0,0,0|3,0,0]=4 2775 B9R0.46 CCN(C)CCCCOC 2230a_100000225621_100000730899 [1,0,0,0,0,0|3,0,0]=4 2776 B9R0.46 CCN(C)CCCCOC 269982a_100000225621_100000730899 [1,0,0,0,0,0|3,0,0]=4 2777 B9R0.46 CCNCCCN(C)CC 2230a_100015525214_100015186262 [1,0,0,0,0,0|3,0,0]=4 2778 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [1,0,0,0,0,0|1,0,2]=4 2779 B9R0.46 CCOCCCC(C)CC 7a_100011216074_100000210202 [1,0,0,0,0,0|2,0,0]=3 2780 B9R0.46 CCOCCCN(C)CC 2230a_100000225621_100012232248 [1,0,0,0,0,0|3,0,0]=4 2781 B9R0.46 CCOCCCN(C)CC 269982a_100000225621_100012232248 [1,0,0,0,0,0|3,0,0]=4 2782 B9R0.46 CCOCCC[C@@H](C)CN 34a_100160569302_100000210202 [1,0,0,0,0,0|3,0,0]=4 2783 B9R0.46 CCOCCNC(C)CC 2230a_100000209981_100011215890 [1,0,0,0,0,0|3,0,0]=4 2784 B9R0.46 CCOCCNC(C)CC 2230a_102516460346_100000758301 [1,0,0,0,0,0|3,0,0]=4 2785 B9R0.46 CCOCCNC(C)CC 34a_102516460346_100011215416 [1,0,0,0,0,0|3,0,0]=4 2786 B9R0.46 CCOCCOC(C)CC 34a_100000210136_100011215416 [1,0,0,0,0,0|3,0,0]=4 2787 B9R0.46 CCOCCOC(C)CC 7a_100000210136_100000758301 [1,0,0,0,0,0|3,0,0]=4 2788 B9R0.46 CCOCCOC(C)CC 7a_100000210228_100011215890 [1,0,0,0,0,0|3,0,0]=4 2789 B9R0.46 CCOCCSC(C)CC 62a_100000210147_100000758301 [1,0,0,0,0,0|3,0,0]=4 2790 B9R0.46 CCOCCSC(C)CC 62a_100000758301_100011215890 [1,0,0,0,0,0|3,0,0]=4 2791 B9R0.46 CCOCSCC(C)CC 62a_100000739092_100000748023 [1,0,0,0,0,0|3,0,0]=4 2792 B9R0.46 CCOCSCC(C)CC 62a_100000748023_100000739092 [1,0,0,0,0,0|3,0,0]=4 2793 B9R0.46 CCOCSCC(O)CC 62a_100000739092_100011218378 [1,0,0,0,0,0|2,0,0]=3 2794 B9R0.46 CCOCSCC(O)CC 62a_100011218378_100000739092 [1,0,0,0,0,0|2,0,0]=3 2795 B9R0.46 CCOCSCC(O)CO 62a_100000739092_100011219619 [1,0,0,0,0,0|3,0,0]=4 2796 B9R0.46 CCOCSCC(O)CO 62a_100011219619_100000739092 [1,0,0,0,0,0|3,0,0]=4 2797 B9R0.46 CCOCSC[C@@H](C)CC 62a_100000739092_100009816398 [1,0,0,0,0,0|3,0,0]=4 2798 B9R0.46 CCOCSC[C@@H](C)CC 62a_100009816398_100000739092 [1,0,0,0,0,0|3,0,0]=4 2799 B9R0.46 CCOCSC[C@@H](O)CF 62a_100000739092_100015614560 [1,0,0,0,0,0|3,0,0]=4 2800 B9R0.46 CCOCSC[C@@H](O)CF 62a_100015614560_100000739092 [1,0,0,0,0,0|3,0,0]=4 2801 B9R0.46 CCOCSC[C@@H](O)CO 62a_100000739092_100009815848 [1,0,0,0,0,0|3,0,0]=4 2802 B9R0.46 CCOCSC[C@@H](O)CO 62a_100009815848_100000739092 [1,0,0,0,0,0|3,0,0]=4 2803 B9R0.46 CCSCCCN(C)CC 62a_100000210202_100015186262 [1,0,0,0,0,0|3,0,0]=4 2804 B9R0.46 CCSCCNC(C)CC 2230a_100000106463_100000758301 [1,0,0,0,0,0|3,0,0]=4 2805 B9R0.46 CCSCCNC(C)CC 2230a_100000209981_100000757381 [1,0,0,0,0,0|3,0,0]=4 2806 B9R0.46 CCSCCOC(C)CC 34a_100000212035_100011215416 [1,0,0,0,0,0|3,0,0]=4 2807 B9R0.46 CCSCCOC(C)CC 7a_100000210228_100000757381 [1,0,0,0,0,0|3,0,0]=4 2808 B9R0.46 CCSCCOC(C)CC 7a_100000212035_100000758301 [1,0,0,0,0,0|3,0,0]=4 2809 B9R0.46 CCSCCSC(C)CC 62a_100000757381_100000758301 [1,0,0,0,0,0|3,0,0]=4 2810 B9R0.46 CCSCCSC(C)CC 62a_100000758301_100000757381 [1,0,0,0,0,0|3,0,0]=4 2811 B9R0.46 CC[C@H](C)CNCCCF 2230a_100015189416_100009816398 [1,0,0,0,0,0|3,0,0]=4 2812 B9R0.46 CC[C@H](C)CNCCCF 34a_100015189416_100009816398 [1,0,0,0,0,0|3,0,0]=4 2813 B9R0.46 CC[C@H](C)CNCCOC 2230a_100000209980_100009816398 [1,0,0,0,0,0|3,0,0]=4 2814 B9R0.46 CC[C@H](C)CNCCSC 2230a_100020590264_100009816398 [1,0,0,0,0,0|3,0,0]=4 2815 B9R0.46 CC[C@H](C)COCCCBr 34a_100011217188_100009816398 [1,0,0,0,0,0|3,0,0]=4 2816 B9R0.46 CC[C@H](C)COCCCCl 34a_100000230001_100009816398 [1,0,0,0,0,0|3,0,0]=4 2817 B9R0.46 CC[C@H](C)COCCCF 34a_100000759539_100009816398 [1,0,0,0,0,0|3,0,0]=4 2818 B9R0.46 CC[C@H](C)COCCCF 7a_100009816381_100011934791 [1,0,0,0,0,0|3,0,0]=4 2819 B9R0.46 CC[C@H](C)COCCCN 34a_100000182051_100009816398 [1,0,0,0,0,0|3,0,0]=4 2820 B9R0.46 CC[C@H](C)COCCCO 7a_100009816381_100011215043 [1,0,0,0,0,0|3,0,0]=4 2821 B9R0.46 CC[C@H](C)COCCOC 34a_100000210237_100009816398 [1,0,0,0,0,0|3,0,0]=4 2822 B9R0.46 CC[C@H](C)COCCOC 7a_100009816381_100000233755 [1,0,0,0,0,0|3,0,0]=4 2823 B9R0.46 CC[C@H](C)COCCSC 34a_100000230434_100009816398 [1,0,0,0,0,0|3,0,0]=4 2824 B9R0.46 CC[C@H](C)COCCSC 7a_100000230434_100009816398 [1,0,0,0,0,0|3,0,0]=4 2825 B9R0.46 CC[C@H](C)COCCSC 7a_100009816381_100000212216 [1,0,0,0,0,0|3,0,0]=4 2826 B9R0.46 CC[C@H](C)CSCCCF 62a_100009816398_100011934791 [1,0,0,0,0,0|3,0,0]=4 2827 B9R0.46 CC[C@H](C)CSCCCF 62a_100011934791_100009816398 [1,0,0,0,0,0|3,0,0]=4 2828 B9R0.46 CC[C@H](C)CSCCCO 62a_100009816398_100011215043 [1,0,0,0,0,0|3,0,0]=4 2829 B9R0.46 CC[C@H](C)CSCCCO 62a_100011215043_100009816398 [1,0,0,0,0,0|3,0,0]=4 2830 B9R0.46 CC[C@H](C)CSCCOC 62a_100000233755_100009816398 [1,0,0,0,0,0|3,0,0]=4 2831 B9R0.46 CC[C@H](C)CSCCOC 62a_100009816398_100000233755 [1,0,0,0,0,0|3,0,0]=4 2832 B9R0.46 CC[C@H](C)CSCCSC 62a_100000212216_100009816398 [1,0,0,0,0,0|3,0,0]=4 2833 B9R0.46 CC[C@H](C)CSCCSC 62a_100009816398_100000751147 [1,0,0,0,0,0|3,0,0]=4 2834 B9R0.46 COCCNCC(O)CO 2230a_100000209980_100011219619 [1,0,0,0,0,0|3,0,0]=4 2835 B9R0.46 COCCNC[C@@H](O)CF 2230a_100000209980_100015614560 [1,0,0,0,0,0|3,0,0]=4 2836 B9R0.46 COCCNC[C@@H](O)CO 2230a_100000209980_100009815848 [1,0,0,0,0,0|3,0,0]=4 2837 B9R0.46 COCCNC[C@H](O)CO 2230a_100020644852_100011201679 [1,0,0,0,0,0|3,0,0]=4 2838 B9R0.46 COCCOCC(O)CO 34a_100000210237_100011219619 [1,0,0,0,0,0|3,0,0]=4 2839 B9R0.46 COCCOC[C@@H](O)CF 34a_100000210237_100015614560 [1,0,0,0,0,0|3,0,0]=4 2840 B9R0.46 COCCOC[C@@H](O)CO 34a_100000210237_100009815848 [1,0,0,0,0,0|3,0,0]=4 2841 B9R0.46 COCCSCC(O)CO 62a_100000233755_100011219619 [1,0,0,0,0,0|3,0,0]=4 2842 B9R0.46 COCCSCC(O)CO 62a_100011219619_100000233755 [1,0,0,0,0,0|3,0,0]=4 2843 B9R0.46 COCCSC[C@@H](O)CF 62a_100000233755_100015614560 [1,0,0,0,0,0|3,0,0]=4 2844 B9R0.46 COCCSC[C@@H](O)CF 62a_100015614560_100000233755 [1,0,0,0,0,0|3,0,0]=4 2845 B9R0.46 COCCSC[C@@H](O)CO 62a_100000233755_100009815848 [1,0,0,0,0,0|3,0,0]=4 2846 B9R0.46 COCCSC[C@@H](O)CO 62a_100009815848_100000233755 [1,0,0,0,0,0|3,0,0]=4 2847 B9R0.46 CSCCNCC(O)CO 2230a_100020590264_100011219619 [1,0,0,0,0,0|3,0,0]=4 2848 B9R0.46 CSCCNC[C@@H](O)CF 2230a_100020590264_100015614560 [1,0,0,0,0,0|3,0,0]=4 2849 B9R0.46 CSCCNC[C@@H](O)CO 2230a_100020590264_100009815848 [1,0,0,0,0,0|3,0,0]=4 2850 B9R0.46 CSCCNC[C@H](O)CO 2230a_100020644852_100000751147 [1,0,0,0,0,0|3,0,0]=4 2851 B9R0.46 CSCCOCC(O)CO 34a_100000230434_100011219619 [1,0,0,0,0,0|3,0,0]=4 2852 B9R0.46 CSCCOCC(O)CO 7a_100000230434_100011219619 [1,0,0,0,0,0|3,0,0]=4 2853 B9R0.46 CSCCOC[C@@H](O)CF 34a_100000230434_100015614560 [1,0,0,0,0,0|3,0,0]=4 2854 B9R0.46 CSCCOC[C@@H](O)CF 7a_100000230434_100015614560 [1,0,0,0,0,0|3,0,0]=4 2855 B9R0.46 CSCCOC[C@@H](O)CO 34a_100000230434_100009815848 [1,0,0,0,0,0|3,0,0]=4 2856 B9R0.46 CSCCOC[C@@H](O)CO 7a_100000230434_100009815848 [1,0,0,0,0,0|3,0,0]=4 2857 B9R0.46 CSCCSCC(O)CO 62a_100000212216_100011219619 [1,0,0,0,0,0|3,0,0]=4 2858 B9R0.46 CSCCSCC(O)CO 62a_100011219619_100000751147 [1,0,0,0,0,0|3,0,0]=4 2859 B9R0.46 CSCCSC[C@@H](O)CF 62a_100000212216_100015614560 [1,0,0,0,0,0|3,0,0]=4 2860 B9R0.46 CSCCSC[C@@H](O)CF 62a_100015614560_100000751147 [1,0,0,0,0,0|3,0,0]=4 2861 B9R0.46 CSCCSC[C@@H](O)CO 62a_100000212216_100009815848 [1,0,0,0,0,0|3,0,0]=4 2862 B9R0.46 CSCCSC[C@@H](O)CO 62a_100009815848_100000751147 [1,0,0,0,0,0|3,0,0]=4 2863 B9R0.46 NCCCOCC(O)CO 34a_100000182051_100011219619 [1,0,0,0,0,0|3,0,0]=4 2864 B9R0.46 NCCCOC[C@@H](O)CF 34a_100000182051_100015614560 [1,0,0,0,0,0|3,0,0]=4 2865 B9R0.46 NCCCOC[C@@H](O)CO 34a_100000182051_100009815848 [1,0,0,0,0,0|3,0,0]=4 2866 B9R0.46 OCC(O)CNCCCF 2230a_100015189416_100011219619 [1,0,0,0,0,0|3,0,0]=4 2867 B9R0.46 OCC(O)CNCCCF 34a_100015189416_100011219619 [1,0,0,0,0,0|3,0,0]=4 2868 B9R0.46 OCC(O)COCCCBr 34a_100011217188_100011219619 [1,0,0,0,0,0|3,0,0]=4 2869 B9R0.46 OCC(O)COCCCCl 34a_100000230001_100011219619 [1,0,0,0,0,0|3,0,0]=4 2870 B9R0.46 OCC(O)COCCCF 34a_100000759539_100011219619 [1,0,0,0,0,0|3,0,0]=4 2871 B9R0.46 OCC(O)CSCCCF 62a_100011219619_100011934791 [1,0,0,0,0,0|3,0,0]=4 2872 B9R0.46 OCC(O)CSCCCF 62a_100011934791_100011219619 [1,0,0,0,0,0|3,0,0]=4 2873 B9R0.46 OCCCNC[C@H](O)CO 2230a_100020644852_100000230001 [1,0,0,0,0,0|3,0,0]=4 2874 B9R0.46 OCCCSCC(O)CO 62a_100011215043_100011219619 [1,0,0,0,0,0|3,0,0]=4 2875 B9R0.46 OCCCSCC(O)CO 62a_100011219619_100011215043 [1,0,0,0,0,0|3,0,0]=4 2876 B9R0.46 OCCCSC[C@@H](O)CF 62a_100011215043_100015614560 [1,0,0,0,0,0|3,0,0]=4 2877 B9R0.46 OCCCSC[C@@H](O)CF 62a_100015614560_100011215043 [1,0,0,0,0,0|3,0,0]=4 2878 B9R0.46 OCCCSC[C@@H](O)CO 62a_100009815848_100011215043 [1,0,0,0,0,0|3,0,0]=4 2879 B9R0.46 OCCCSC[C@@H](O)CO 62a_100011215043_100009815848 [1,0,0,0,0,0|3,0,0]=4 2880 B9R0.46 OC[C@@H](O)CNCCCF 2230a_100020644852_100011934791 [1,0,0,0,0,0|3,0,0]=4 2881 B9R0.46 OC[C@H](O)CNCCCF 2230a_100015189416_100009815848 [1,0,0,0,0,0|3,0,0]=4 2882 B9R0.46 OC[C@H](O)CNCCCF 34a_100015189416_100009815848 [1,0,0,0,0,0|3,0,0]=4 2883 B9R0.46 OC[C@H](O)COCCCBr 34a_100011217188_100009815848 [1,0,0,0,0,0|3,0,0]=4 2884 B9R0.46 OC[C@H](O)COCCCCl 34a_100000230001_100009815848 [1,0,0,0,0,0|3,0,0]=4 2885 B9R0.46 OC[C@H](O)COCCCF 34a_100000759539_100009815848 [1,0,0,0,0,0|3,0,0]=4 2886 B9R0.46 OC[C@H](O)CSCCCF 62a_100009815848_100011934791 [1,0,0,0,0,0|3,0,0]=4 2887 B9R0.46 OC[C@H](O)CSCCCF 62a_100011934791_100009815848 [1,0,0,0,0,0|3,0,0]=4 2888 B9R0.46 O[C@@H](CF)CNCCCF 2230a_100015189416_100015614560 [1,0,0,0,0,0|3,0,0]=4 2889 B9R0.46 O[C@@H](CF)CNCCCF 34a_100015189416_100015614560 [1,0,0,0,0,0|3,0,0]=4 2890 B9R0.46 O[C@@H](CF)COCCCBr 34a_100011217188_100015614560 [1,0,0,0,0,0|3,0,0]=4 2891 B9R0.46 O[C@@H](CF)COCCCCl 34a_100000230001_100015614560 [1,0,0,0,0,0|3,0,0]=4 2892 B9R0.46 O[C@@H](CF)COCCCF 34a_100000759539_100015614560 [1,0,0,0,0,0|3,0,0]=4 2893 B9R0.46 O[C@@H](CF)CSCCCF 62a_100011934791_100015614560 [1,0,0,0,0,0|3,0,0]=4 2894 B9R0.46 O[C@@H](CF)CSCCCF 62a_100015614560_100011934791 [1,0,0,0,0,0|3,0,0]=4 2895 B11R0.4 C#CCC(=O)CCCCCCC 1458a_100000211969_100000184674 [0,1,0,0,0,0|0,0,3]=4 2896 B11R0.4 C#CCC(=O)CCCCCCC 1458a_100011220946_100000210614 [0,1,0,0,0,0|0,0,3]=4 2897 B11R0.4 C#CCC(C)OCCCCCC 34a_100000685586_100000210314 [0,1,0,0,0,0|2,0,1]=4 2898 B11R0.4 C#CCC(C)OCCCCCC 7a_100000685586_100000210314 [0,1,0,0,0,0|2,0,1]=4 2899 B11R0.4 C#CCCCNCC(O)COC 2230a_100000756049_100000731252 [0,1,0,0,0,0|1,0,2]=4 2900 B11R0.4 C#CCCCNCC(O)COC 34a_100000718082_100011215053 [0,1,0,0,0,0|1,0,2]=4 2901 B11R0.4 C#CCCCNCC(O)COC 34a_100000756049_100000695029 [0,1,0,0,0,0|1,0,2]=4 2902 B11R0.4 C#CCCCOCC(O)COC 34a_100000215630_100011215053 [0,1,0,0,0,0|1,0,2]=4 2903 B11R0.4 C#CCCCOCC(O)COC 7a_100000215630_100011215053 [0,1,0,0,0,0|1,0,2]=4 2904 B11R0.4 C#CCCCSCC(O)COC 62a_100011215053_100011215417 [0,1,0,0,0,0|1,0,2]=4 2905 B11R0.4 C#CCCCSCC(O)COC 62a_100011215417_100011215053 [0,1,0,0,0,0|1,0,2]=4 2906 B11R0.4 C#CCN(C)CCCCCCC 2230a_100000225692_100000210681 [0,1,0,0,0,0|2,0,1]=4 2907 B11R0.4 C#CCN(C)CCCCCCC 2230a_100000228206_100000038162 [0,1,0,0,0,0|2,0,1]=4 2908 B11R0.4 C#CCN(C)CCCCCCC 34a_100000225692_100000210614 [0,1,0,0,0,0|2,0,1]=4 2909 B11R0.4 C/C=C/C(C)OCCCCCC 34a_200102604097_100000210314 [0,1,0,0,0,0|2,0,1]=4 2910 B11R0.4 C/C=C/CCOCC(O)COC 34a_100016278192_100011215053 [0,1,0,0,0,0|1,0,2]=4 2911 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000210193_100000210614 [0,1,0,0,0,0|0,0,3]=4 2912 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000211969_100000210623 [0,1,0,0,0,0|0,0,3]=4 2913 B11R0.4 C=CCC(C)COCCCCC 34a_100009832082_100000718602 [0,1,0,0,0,0|2,0,1]=4 2914 B11R0.4 C=CCC(C)COCCCCC 7a_100009832082_100000210326 [0,1,0,0,0,0|2,0,1]=4 2915 B11R0.4 C=CCCCNCC(O)COC 2230a_100000756049_100011713584 [0,1,0,0,0,0|1,0,2]=4 2916 B11R0.4 C=CCCCNCC(O)COC 34a_100000700776_100011215053 [0,1,0,0,0,0|1,0,2]=4 2917 B11R0.4 C=CCCCNCC(O)COC 34a_100000756049_100000757094 [0,1,0,0,0,0|1,0,2]=4 2918 B11R0.4 C=CCCCOCC(O)COC 34a_100000758997_100011215053 [0,1,0,0,0,0|1,0,2]=4 2919 B11R0.4 C=CCCCOCC(O)COC 7a_100000758997_100011215053 [0,1,0,0,0,0|1,0,2]=4 2920 B11R0.4 C=CCCCSCC(O)COC 62a_100011215053_100000757094 [0,1,0,0,0,0|1,0,2]=4 2921 B11R0.4 C=CCCCSCC(O)COC 62a_100011713584_100011215053 [0,1,0,0,0,0|1,0,2]=4 2922 B11R0.4 C=CCN(C)CCCCCCC 2230a_100000225617_100000210681 [0,1,0,0,0,0|2,0,1]=4 2923 B11R0.4 C=CCN(C)CCCCCCC 2230a_100000228206_100000210623 [0,1,0,0,0,0|2,0,1]=4 2924 B11R0.4 C=CCN(C)CCCCCCC 269982a_100000225617_100000210681 [0,1,0,0,0,0|2,0,1]=4 2925 B11R0.4 C=CCN(C)CCCCCCC 269982a_100000228206_100000210623 [0,1,0,0,0,0|2,0,1]=4 2926 B11R0.4 C=CC[C@@H](C)OCCCCCC 34a_100000731007_100000210314 [0,1,0,0,0,0|2,0,1]=4 2927 B11R0.4 C=CC[C@@H](C)OCCCCCC 7a_100000731007_100000210314 [0,1,0,0,0,0|2,0,1]=4 2928 B11R0.4 C=CC[C@@H](N)COCCCCC 34a_100020615467_100000718602 [0,1,0,0,0,0|2,0,1]=4 2929 B11R0.4 CC#CC(=O)CCCCCCC 1458a_100000763181_100000210614 [0,1,0,0,0,0|0,0,3]=4 2930 B11R0.4 CC#CC(C)OCCCCCC 34a_100011216543_100000210314 [0,1,0,0,0,0|2,0,1]=4 2931 B11R0.4 CC#CCCOCC(O)COC 34a_100000750427_100011215053 [0,1,0,0,0,0|1,0,2]=4 2932 B11R0.4 CC(CCBr)OCCCCCF 34a_100012276601_100000729378 [0,1,0,0,0,0|3,0,0]=4 2933 B11R0.4 CC(CCBr)OCCCCCO 34a_100012276601_100000746330 [0,1,0,0,0,0|3,0,0]=4 2934 B11R0.4 CC(CCN)COCCCCF 34a_106354213184_100000729493 [0,1,0,0,0,0|3,0,0]=4 2935 B11R0.4 CC(CCN)COCCCCO 34a_106354213184_100011216708 [0,1,0,0,0,0|3,0,0]=4 2936 B11R0.4 CC(CCO)NCCCCCO 2230a_100000762737_100009893172 [0,1,0,0,0,0|3,0,0]=4 2937 B11R0.4 CC(CCO)NCCCCCO 34a_100000762737_100009893172 [0,1,0,0,0,0|3,0,0]=4 2938 B11R0.4 CC(CCO)OCCCCCBr 34a_100000746331_100009893172 [0,1,0,0,0,0|3,0,0]=4 2939 B11R0.4 CC(CCO)OCCCCCBr 7a_100000746331_100009893172 [0,1,0,0,0,0|3,0,0]=4 2940 B11R0.4 CC(CCO)OCCCCCCl 34a_100000746330_100009893172 [0,1,0,0,0,0|3,0,0]=4 2941 B11R0.4 CC(CCO)OCCCCCCl 7a_100000746330_100009893172 [0,1,0,0,0,0|3,0,0]=4 2942 B11R0.4 CC(CCO)OCCCCCI 34a_200012148887_100009893172 [0,1,0,0,0,0|3,0,0]=4 2943 B11R0.4 CC(CCO)OCCCCCI 7a_200012148887_100009893172 [0,1,0,0,0,0|3,0,0]=4 2944 B11R0.4 CC(CCO)OCCCCCN 34a_100000762737_100009893172 [0,1,0,0,0,0|3,0,0]=4 2945 B11R0.4 CC(CCO)SCCCCCF 62a_100000729378_100009893172 [0,1,0,0,0,0|3,0,0]=4 2946 B11R0.4 CC(CCO)SCCCCCF 62a_100009893172_100000729378 [0,1,0,0,0,0|3,0,0]=4 2947 B11R0.4 CC(CCO)SCCCCCO 62a_100000746330_100009893172 [0,1,0,0,0,0|3,0,0]=4 2948 B11R0.4 CC(CCO)SCCCCCO 62a_100009893172_100000746330 [0,1,0,0,0,0|3,0,0]=4 2949 B11R0.4 CC/C=C\CNCC(O)COC 2230a_100000756049_100103147603 [0,1,0,0,0,0|1,0,2]=4 2950 B11R0.4 CC/C=C\CNCC(O)COC 34a_100000756049_100103147603 [0,1,0,0,0,0|1,0,2]=4 2951 B11R0.4 CC/C=C\COCC(O)COC 34a_100016268518_100011215053 [0,1,0,0,0,0|1,0,2]=4 2952 B11R0.4 CC/C=C\CSCC(O)COC 62a_100011215053_100103147603 [0,1,0,0,0,0|1,0,2]=4 2953 B11R0.4 CC/C=C\CSCC(O)COC 62a_100103147603_100011215053 [0,1,0,0,0,0|1,0,2]=4 2954 B11R0.4 CC=CC(=O)CCCCCCC 1458a_100000210699_100000210614 [0,1,0,0,0,0|0,0,3]=4 2955 B11R0.4 CCC#CCNCC(O)COC 2230a_100000756049_100009813939 [0,1,0,0,0,0|1,0,2]=4 2956 B11R0.4 CCC#CCNCC(O)COC 34a_100000756049_100009813939 [0,1,0,0,0,0|1,0,2]=4 2957 B11R0.4 CCC#CCOCC(O)COC 34a_100000032950_100011215053 [0,1,0,0,0,0|1,0,2]=4 2958 B11R0.4 CCC#CCSCC(O)COC 62a_100009813939_100011215053 [0,1,0,0,0,0|1,0,2]=4 2959 B11R0.4 CCC#CCSCC(O)COC 62a_100011215053_100009813939 [0,1,0,0,0,0|1,0,2]=4 2960 B11R0.4 CCCC(=O)CCCCCCF 1458a_100000211992_100015922095 [0,1,0,0,0,0|1,0,2]=4 2961 B11R0.4 CCCC(=O)CCCCCCO 1458a_100000211992_100000766143 [0,1,0,0,0,0|1,0,2]=4 2962 B11R0.4 CCCC(=O)CCCCCCO 1458a_100011996774_100000210303 [0,1,0,0,0,0|1,0,2]=4 2963 B11R0.4 CCCC(=O)CCCCCOC 1458a_100011935119_100000210303 [0,1,0,0,0,0|1,0,2]=4 2964 B11R0.4 CCCC(C)CCCOCCF 34a_100011713154_100011217306 [0,1,0,0,0,0|3,0,0]=4 2965 B11R0.4 CCCC(C)CCCOCCF 7a_100011713154_100011217306 [0,1,0,0,0,0|3,0,0]=4 2966 B11R0.4 CCCC(C)CCCOCCO 34a_100011713154_100000211926 [0,1,0,0,0,0|3,0,0]=4 2967 B11R0.4 CCCC(C)CCCOCCO 7a_100011713154_100000211926 [0,1,0,0,0,0|3,0,0]=4 2968 B11R0.4 CCCC(C)CCCOCSC 34a_100011713154_100011218213 [0,1,0,0,0,0|3,0,0]=4 2969 B11R0.4 CCCC(C)CCOCCCF 34a_100011217855_100011934791 [0,1,0,0,0,0|3,0,0]=4 2970 B11R0.4 CCCC(C)CCOCCCF 7a_100011217855_100011934791 [0,1,0,0,0,0|3,0,0]=4 2971 B11R0.4 CCCC(C)CCOCCCO 34a_100011217855_100000230001 [0,1,0,0,0,0|3,0,0]=4 2972 B11R0.4 CCCC(C)CCOCCCO 7a_100011217855_100011215043 [0,1,0,0,0,0|3,0,0]=4 2973 B11R0.4 CCCC(C)CCOCCOC 34a_100011217855_100011201679 [0,1,0,0,0,0|3,0,0]=4 2974 B11R0.4 CCCC(C)CCOCCOC 7a_100011217855_100000233755 [0,1,0,0,0,0|3,0,0]=4 2975 B11R0.4 CCCC(C)CCOCCSC 34a_100011217855_100000212216 [0,1,0,0,0,0|3,0,0]=4 2976 B11R0.4 CCCC(C)CCOCCSC 7a_100011217855_100000212216 [0,1,0,0,0,0|3,0,0]=4 2977 B11R0.4 CCCC(C)CNCCCCO 2230a_100000750430_100011216630 [0,1,0,0,0,0|3,0,0]=4 2978 B11R0.4 CCCC(C)CNCCCCO 270004a_100000750430_100000243154 [0,1,0,0,0,0|3,0,0]=4 2979 B11R0.4 CCCC(C)CNCCCCO 34a_100000750430_100011216630 [0,1,0,0,0,0|3,0,0]=4 2980 B11R0.4 CCCC(C)CNCCCOC 270004a_100150723488_100000243154 [0,1,0,0,0,0|3,0,0]=4 2981 B11R0.4 CCCC(C)CNCCCOC 34a_100150723488_100011216630 [0,1,0,0,0,0|3,0,0]=4 2982 B11R0.4 CCCC(C)CNCCCSC 2230a_100000749238_100011216630 [0,1,0,0,0,0|3,0,0]=4 2983 B11R0.4 CCCC(C)CNCCCSC 270004a_100000749238_100000243154 [0,1,0,0,0,0|3,0,0]=4 2984 B11R0.4 CCCC(C)CNCCOCC 2230a_102516460346_100011216630 [0,1,0,0,0,0|3,0,0]=4 2985 B11R0.4 CCCC(C)CNCCOCC 270004a_102516460346_100000243154 [0,1,0,0,0,0|3,0,0]=4 2986 B11R0.4 CCCC(C)CNCCOCC 34a_102516460346_100011216630 [0,1,0,0,0,0|3,0,0]=4 2987 B11R0.4 CCCC(C)CNCCSCC 2230a_100000106463_100011216630 [0,1,0,0,0,0|3,0,0]=4 2988 B11R0.4 CCCC(C)CNCCSCC 270004a_100000106463_100000243154 [0,1,0,0,0,0|3,0,0]=4 2989 B11R0.4 CCCC(C)COCCCCBr 34a_100011216708_100011216630 [0,1,0,0,0,0|3,0,0]=4 2990 B11R0.4 CCCC(C)COCCCCCl 34a_100000210776_100011216630 [0,1,0,0,0,0|3,0,0]=4 2991 B11R0.4 CCCC(C)COCCCCCl 7a_100000210776_100011216630 [0,1,0,0,0,0|3,0,0]=4 2992 B11R0.4 CCCC(C)COCCCCF 34a_100000688023_100000729493 [0,1,0,0,0,0|3,0,0]=4 2993 B11R0.4 CCCC(C)COCCCCF 34a_100011995726_100011216630 [0,1,0,0,0,0|3,0,0]=4 2994 B11R0.4 CCCC(C)COCCCCF 7a_100000688023_100000729493 [0,1,0,0,0,0|3,0,0]=4 2995 B11R0.4 CCCC(C)COCCCCF 7a_100011995726_100011216630 [0,1,0,0,0,0|3,0,0]=4 2996 B11R0.4 CCCC(C)COCCCCI 34a_200012148704_100011216630 [0,1,0,0,0,0|3,0,0]=4 2997 B11R0.4 CCCC(C)COCCCCN 34a_100000750430_100011216630 [0,1,0,0,0,0|3,0,0]=4 2998 B11R0.4 CCCC(C)COCCCCO 34a_100000688023_100011216708 [0,1,0,0,0,0|3,0,0]=4 2999 B11R0.4 CCCC(C)COCCCCO 7a_100000688023_100000210776 [0,1,0,0,0,0|3,0,0]=4 3000 B11R0.4 CCCC(C)COCCCNC 34a_100000213112_100011216630 [0,1,0,0,0,0|3,0,0]=4 3001 B11R0.4 CCCC(C)COCCCOC 34a_100000688023_100000740836 [0,1,0,0,0,0|3,0,0]=4 3002 B11R0.4 CCCC(C)COCCCOC 34a_100000740835_100011216630 [0,1,0,0,0,0|3,0,0]=4 3003 B11R0.4 CCCC(C)COCCCOC 7a_100000688023_100000740836 [0,1,0,0,0,0|3,0,0]=4 3004 B11R0.4 CCCC(C)COCCCSC 34a_100000690336_100011216630 [0,1,0,0,0,0|3,0,0]=4 3005 B11R0.4 CCCC(C)COCCCSC 7a_100000690336_100011216630 [0,1,0,0,0,0|3,0,0]=4 3006 B11R0.4 CCCC(C)COCCOCC 34a_100000210136_100011216630 [0,1,0,0,0,0|3,0,0]=4 3007 B11R0.4 CCCC(C)COCCOCC 34a_100000688023_100000210147 [0,1,0,0,0,0|3,0,0]=4 3008 B11R0.4 CCCC(C)COCCOCC 7a_100000210136_100011216630 [0,1,0,0,0,0|3,0,0]=4 3009 B11R0.4 CCCC(C)COCCOCC 7a_100000688023_100011215890 [0,1,0,0,0,0|3,0,0]=4 3010 B11R0.4 CCCC(C)COCCSCC 34a_100000212035_100011216630 [0,1,0,0,0,0|3,0,0]=4 3011 B11R0.4 CCCC(C)COCCSCC 34a_100000688023_100000757381 [0,1,0,0,0,0|3,0,0]=4 3012 B11R0.4 CCCC(C)COCCSCC 7a_100000212035_100011216630 [0,1,0,0,0,0|3,0,0]=4 3013 B11R0.4 CCCC(C)COCCSCC 7a_100000688023_100000757381 [0,1,0,0,0,0|3,0,0]=4 3014 B11R0.4 CCCC(C)CSCCCCF 62a_100000729493_100011216630 [0,1,0,0,0,0|3,0,0]=4 3015 B11R0.4 CCCC(C)CSCCCCF 62a_100011216630_100000729493 [0,1,0,0,0,0|3,0,0]=4 3016 B11R0.4 CCCC(C)CSCCCCO 62a_100000210776_100011216630 [0,1,0,0,0,0|3,0,0]=4 3017 B11R0.4 CCCC(C)CSCCCCO 62a_100011216630_100000210776 [0,1,0,0,0,0|3,0,0]=4 3018 B11R0.4 CCCC(C)CSCCCOC 62a_100000709357_100011216630 [0,1,0,0,0,0|3,0,0]=4 3019 B11R0.4 CCCC(C)CSCCCOC 62a_100011216630_100000709357 [0,1,0,0,0,0|3,0,0]=4 3020 B11R0.4 CCCC(C)CSCCOCC 62a_100000210147_100011216630 [0,1,0,0,0,0|3,0,0]=4 3021 B11R0.4 CCCC(C)CSCCOCC 62a_100011216630_100011215890 [0,1,0,0,0,0|3,0,0]=4 3022 B11R0.4 CCCC(C)CSCCSCC 62a_100000757381_100011216630 [0,1,0,0,0,0|3,0,0]=4 3023 B11R0.4 CCCC(C)CSCCSCC 62a_100011216630_100000757381 [0,1,0,0,0,0|3,0,0]=4 3024 B11R0.4 CCCC(C)NCCCCCF 2230a_100000741246_100000729378 [0,1,0,0,0,0|3,0,0]=4 3025 B11R0.4 CCCC(C)NCCCCCO 2230a_100000741246_100000746330 [0,1,0,0,0,0|3,0,0]=4 3026 B11R0.4 CCCC(C)NCCCCCO 2230a_100000762737_100000766640 [0,1,0,0,0,0|3,0,0]=4 3027 B11R0.4 CCCC(C)NCCCCCO 270004a_100000762737_100000211909 [0,1,0,0,0,0|3,0,0]=4 3028 B11R0.4 CCCC(C)NCCCCCO 34a_100000762737_100000766640 [0,1,0,0,0,0|3,0,0]=4 3029 B11R0.4 CCCC(C)NCCCCOC 2230a_100000741246_100000730899 [0,1,0,0,0,0|3,0,0]=4 3030 B11R0.4 CCCC(C)NCCCOCC 2230a_100000210961_100000766640 [0,1,0,0,0,0|3,0,0]=4 3031 B11R0.4 CCCC(C)NCCCOCC 2230a_100000741246_100012232248 [0,1,0,0,0,0|3,0,0]=4 3032 B11R0.4 CCCC(C)NCCCOCC 270004a_100000210961_100000211909 [0,1,0,0,0,0|3,0,0]=4 3033 B11R0.4 CCCC(C)NCCCOCC 34a_100000210961_100000766640 [0,1,0,0,0,0|3,0,0]=4 3034 B11R0.4 CCCC(C)OCCCCCBr 34a_100000746331_100000766640 [0,1,0,0,0,0|3,0,0]=4 3035 B11R0.4 CCCC(C)OCCCCCBr 7a_100000746331_100000766640 [0,1,0,0,0,0|3,0,0]=4 3036 B11R0.4 CCCC(C)OCCCCCCl 34a_100000746330_100000766640 [0,1,0,0,0,0|3,0,0]=4 3037 B11R0.4 CCCC(C)OCCCCCCl 7a_100000746330_100000766640 [0,1,0,0,0,0|3,0,0]=4 3038 B11R0.4 CCCC(C)OCCCCCF 34a_100000764384_100000729378 [0,1,0,0,0,0|3,0,0]=4 3039 B11R0.4 CCCC(C)OCCCCCF 7a_100000764384_100000729378 [0,1,0,0,0,0|3,0,0]=4 3040 B11R0.4 CCCC(C)OCCCCCI 34a_200012148887_100000766640 [0,1,0,0,0,0|3,0,0]=4 3041 B11R0.4 CCCC(C)OCCCCCI 7a_200012148887_100000766640 [0,1,0,0,0,0|3,0,0]=4 3042 B11R0.4 CCCC(C)OCCCCCN 34a_100000762737_100000766640 [0,1,0,0,0,0|3,0,0]=4 3043 B11R0.4 CCCC(C)OCCCCCO 34a_100000764384_100000746330 [0,1,0,0,0,0|3,0,0]=4 3044 B11R0.4 CCCC(C)OCCCCCO 7a_100000764384_100000746330 [0,1,0,0,0,0|3,0,0]=4 3045 B11R0.4 CCCC(C)OCCCCOC 34a_100000740925_100000766640 [0,1,0,0,0,0|3,0,0]=4 3046 B11R0.4 CCCC(C)OCCCCOC 34a_100000764384_100000755781 [0,1,0,0,0,0|3,0,0]=4 3047 B11R0.4 CCCC(C)OCCCCOC 7a_100000764384_100000730899 [0,1,0,0,0,0|3,0,0]=4 3048 B11R0.4 CCCC(C)OCCCCSC 34a_100011217163_100000766640 [0,1,0,0,0,0|3,0,0]=4 3049 B11R0.4 CCCC(C)OCCCCSC 7a_100011217163_100000766640 [0,1,0,0,0,0|3,0,0]=4 3050 B11R0.4 CCCC(C)OCCCOCC 34a_100000757476_100000766640 [0,1,0,0,0,0|3,0,0]=4 3051 B11R0.4 CCCC(C)OCCCOCC 34a_100000764384_100012232248 [0,1,0,0,0,0|3,0,0]=4 3052 B11R0.4 CCCC(C)OCCCOCC 7a_100000757476_100000766640 [0,1,0,0,0,0|3,0,0]=4 3053 B11R0.4 CCCC(C)OCCCOCC 7a_100000764384_100012232248 [0,1,0,0,0,0|3,0,0]=4 3054 B11R0.4 CCCC(C)OCCCSCC 34a_100011216438_100000766640 [0,1,0,0,0,0|3,0,0]=4 3055 B11R0.4 CCCC(C)OCCCSCC 7a_100011216438_100000766640 [0,1,0,0,0,0|3,0,0]=4 3056 B11R0.4 CCCC(C)SCCCCCF 62a_100000729378_100000766640 [0,1,0,0,0,0|3,0,0]=4 3057 B11R0.4 CCCC(C)SCCCCCF 62a_100000766640_100000729378 [0,1,0,0,0,0|3,0,0]=4 3058 B11R0.4 CCCC(C)SCCCCCO 62a_100000746330_100000766640 [0,1,0,0,0,0|3,0,0]=4 3059 B11R0.4 CCCC(C)SCCCCCO 62a_100000766640_100000746330 [0,1,0,0,0,0|3,0,0]=4 3060 B11R0.4 CCCC(C)SCCCCOC 62a_100000730899_100000766640 [0,1,0,0,0,0|3,0,0]=4 3061 B11R0.4 CCCC(C)SCCCCOC 62a_100000766640_100000730899 [0,1,0,0,0,0|3,0,0]=4 3062 B11R0.4 CCCC(C)SCCCOCC 62a_100000766640_100012232248 [0,1,0,0,0,0|3,0,0]=4 3063 B11R0.4 CCCC(C)SCCCOCC 62a_100012232248_100000766640 [0,1,0,0,0,0|3,0,0]=4 3064 B11R0.4 CCCC=NNCC(O)CSC 4a_200000122717_100000185831 [0,1,0,0,0,0|2,0,1]=4 3065 B11R0.4 CCCCCCCC(=O)CC#N 1458a_100000211969_100011214920 [0,1,0,0,0,0|0,0,3]=4 3066 B11R0.4 CCCCCCCC(=O)CC#N 1458a_100051588842_100000210614 [0,1,0,0,0,0|0,0,3]=4 3067 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211969_100000210303 [0,1,0,0,0,0|0,0,2]=3 3068 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211992_100000210614 [0,1,0,0,0,0|0,0,2]=3 3069 B11R0.4 CCCCCCCC(=O)CCF 1458a_100000211969_100011217306 [0,1,0,0,0,0|0,0,2]=3 3070 B11R0.4 CCCCCCCC(=O)CCO 1458a_100000211969_100000211926 [0,1,0,0,0,0|0,0,2]=3 3071 B11R0.4 CCCCCCCC(=O)CCO 1458a_100011216618_100000210614 [0,1,0,0,0,0|0,0,2]=3 3072 B11R0.4 CCCCCCCC(=O)COC 1458a_100000210968_100000210614 [0,1,0,0,0,0|0,0,2]=3 3073 B11R0.4 CCCCCCCC(=O)CSC 1458a_100000184570_100000210614 [0,1,0,0,0,0|0,0,2]=3 3074 B11R0.4 CCCCCCCC(=O)NCC 11a_100015525214_100000211969 [0,1,0,0,0,0|0,0,2]=3 3075 B11R0.4 CCCCCCCC(=O)NCC 240690a_100015525214_100000211969 [0,1,0,0,0,0|0,0,2]=3 3076 B11R0.4 CCCCCCCC(=O)NCC 527a_100015525214_100000211969 [0,1,0,0,0,0|0,0,2]=3 3077 B11R0.4 CCCCCCCC(=O)NNC 22a_100016993582_100000211969 [0,1,0,0,0,0|1,0,2]=4 3078 B11R0.4 CCCCCCCC(C)NCC 2230a_100015525214_200011218727 [0,1,0,0,0,0|1,0,0]=2 3079 B11R0.4 CCCCCCCC(C)NCC 270004a_100015525214_100000210596 [0,1,0,0,0,0|1,0,0]=2 3080 B11R0.4 CCCCCCCC(C)OCC 34a_100121572206_200011218727 [0,1,0,0,0,0|1,0,0]=2 3081 B11R0.4 CCCCCCCC(C)OCC 34a_200011215852_100000210202 [0,1,0,0,0,0|1,0,0]=2 3082 B11R0.4 CCCCCCCC(C)OCC 7a_200011215852_100000210202 [0,1,0,0,0,0|1,0,0]=2 3083 B11R0.4 CCCCCCCC(C)OCF 34a_200011215852_100015361967 [0,1,0,0,0,0|2,0,0]=3 3084 B11R0.4 CCCCCCCC(C)OCF 7a_200011215852_100015361967 [0,1,0,0,0,0|2,0,0]=3 3085 B11R0.4 CCCCCCCC(C)SCC 62a_100000210202_200011218727 [0,1,0,0,0,0|1,0,0]=2 3086 B11R0.4 CCCCCCCC(C)SCC 62a_200011218727_100000210202 [0,1,0,0,0,0|1,0,0]=2 3087 B11R0.4 CCCCCCCC(C)SCF 62a_100015361967_200011218727 [0,1,0,0,0,0|2,0,0]=3 3088 B11R0.4 CCCCCCCC(C)SCF 62a_200011218727_100015361967 [0,1,0,0,0,0|2,0,0]=3 3089 B11R0.4 CCCCCCCN(C)CC#N 2230a_100000228206_100011215382 [0,1,0,0,0,0|2,0,1]=4 3090 B11R0.4 CCCCCCCN(C)CC#N 2230a_100000748184_100000210681 [0,1,0,0,0,0|2,0,1]=4 3091 B11R0.4 CCCCCCCN(C)CC#N 269982a_100000228206_100011214920 [0,1,0,0,0,0|2,0,1]=4 3092 B11R0.4 CCCCCCCN(C)CC=O 2230a_100000228206_200015260668 [0,1,0,0,0,0|2,0,1]=4 3093 B11R0.4 CCCCCCCN(C)CC=O 269982a_100000228206_200015260668 [0,1,0,0,0,0|2,0,1]=4 3094 B11R0.4 CCCCCCCN(C)CCC 2230a_100000228206_100000210303 [0,1,0,0,0,0|2,0,0]=3 3095 B11R0.4 CCCCCCCN(C)CCC 2230a_100000747261_100000210681 [0,1,0,0,0,0|2,0,0]=3 3096 B11R0.4 CCCCCCCN(C)CCC 269982a_100000228206_100000210303 [0,1,0,0,0,0|2,0,0]=3 3097 B11R0.4 CCCCCCCN(C)CCC 269982a_100000747261_100000210681 [0,1,0,0,0,0|2,0,0]=3 3098 B11R0.4 CCCCCCCN(C)CCF 2230a_100000228206_100011217306 [0,1,0,0,0,0|2,0,0]=3 3099 B11R0.4 CCCCCCCN(C)CCF 269982a_100000228206_100011217306 [0,1,0,0,0,0|2,0,0]=3 3100 B11R0.4 CCCCCCCN(C)CCO 2230a_100000210263_100000210681 [0,1,0,0,0,0|2,0,0]=3 3101 B11R0.4 CCCCCCCN(C)CCO 2230a_100000228206_100000211926 [0,1,0,0,0,0|2,0,0]=3 3102 B11R0.4 CCCCCCCN(C)CCO 269982a_100000210263_100000210681 [0,1,0,0,0,0|2,0,0]=3 3103 B11R0.4 CCCCCCCN(C)CCO 269982a_100000228206_100000211926 [0,1,0,0,0,0|2,0,0]=3 3104 B11R0.4 CCCCCCCN(C)COC 2230a_100000228206_100000766300 [0,1,0,0,0,0|2,0,0]=3 3105 B11R0.4 CCCCCCCN(C)COC 269982a_100000228206_100000766300 [0,1,0,0,0,0|2,0,0]=3 3106 B11R0.4 CCCCCCCN(C)CSC 2230a_100000228206_100011218213 [0,1,0,0,0,0|2,0,0]=3 3107 B11R0.4 CCCCCCCN(C)CSC 269982a_100000228206_100011218213 [0,1,0,0,0,0|2,0,0]=3 3108 B11R0.4 CCCCCCNC(=O)CCC 11a_100000210581_100000211992 [0,1,0,0,0,0|1,0,2]=4 3109 B11R0.4 CCCCCCNC(=O)CCC 1626a_100000210581_100000211992 [0,1,0,0,0,0|1,0,2]=4 3110 B11R0.4 CCCCCCNC(=O)CCC 240690a_100000210581_100000211992 [0,1,0,0,0,0|1,0,2]=4 3111 B11R0.4 CCCCCCNC(=O)CCC 527a_100000210581_100000211992 [0,1,0,0,0,0|1,0,2]=4 3112 B11R0.4 CCCCCCNC(=O)CCO 240690a_100000210581_100011216618 [0,1,0,0,0,0|1,0,2]=4 3113 B11R0.4 CCCCCCNC(=O)CNC 2230a_106832991635_100000230325 [0,1,0,0,0,0|1,0,2]=4 3114 B11R0.4 CCCCCCNC(=O)CNC 34a_100102657272_100000230325 [0,1,0,0,0,0|1,0,2]=4 3115 B11R0.4 CCCCCCNC(=O)CNC 7a_106832991635_100000230325 [0,1,0,0,0,0|1,0,2]=4 3116 B11R0.4 CCCCCCNC(=O)COC 11a_100000210581_100000210968 [0,1,0,0,0,0|1,0,2]=4 3117 B11R0.4 CCCCCCNC(=O)COC 1626a_100000210581_100000210968 [0,1,0,0,0,0|1,0,2]=4 3118 B11R0.4 CCCCCCNC(=O)COC 240690a_100000210581_100000210968 [0,1,0,0,0,0|1,0,2]=4 3119 B11R0.4 CCCCCCNC(=O)COC 34a_100138415774_100000230325 [0,1,0,0,0,0|1,0,2]=4 3120 B11R0.4 CCCCCCNC(=O)COC 527a_100000210581_100000210968 [0,1,0,0,0,0|1,0,2]=4 3121 B11R0.4 CCCCCCNC(=O)CSC 11a_100000210581_100000184570 [0,1,0,0,0,0|1,0,2]=4 3122 B11R0.4 CCCCCCNC(=O)CSC 1626a_100000210581_100000184570 [0,1,0,0,0,0|1,0,2]=4 3123 B11R0.4 CCCCCCNC(=O)CSC 240690a_100000210581_100000184570 [0,1,0,0,0,0|1,0,2]=4 3124 B11R0.4 CCCCCCNC(=O)CSC 527a_100000210581_100000184570 [0,1,0,0,0,0|1,0,2]=4 3125 B11R0.4 CCCCCCNC(=O)CSC 62a_100000230325_200000210301 [0,1,0,0,0,0|1,0,2]=4 3126 B11R0.4 CCCCCCNC(=O)CS[13CH3] 62a_100000230325_200025704644 [0,1,0,0,0,0|1,0,2]=4 3127 B11R0.4 CCCCCCNC(=O)NCC 2708a_100000210581_100015525214 [0,1,0,0,0,0|1,0,2]=4 3128 B11R0.4 CCCCCCNC(=O)NCC 2708a_100015525214_100000210581 [0,1,0,0,0,0|1,0,2]=4 3129 B11R0.4 CCCCCCNC(=O)NCC 273464a_100000210581_100015525214 [0,1,0,0,0,0|1,0,2]=4 3130 B11R0.4 CCCCCCNC(=O)NCC 273464a_100015525214_100000210581 [0,1,0,0,0,0|1,0,2]=4 3131 B11R0.4 CCCCCCNC(=O)NCC 512a_100000210581_100015525214 [0,1,0,0,0,0|1,0,2]=4 3132 B11R0.4 CCCCCCNC(=O)NCC 512a_100015525214_100000210581 [0,1,0,0,0,0|1,0,2]=4 3133 B11R0.4 CCCCCCNC(C)CC#N 2230a_100000210581_100009813641 [0,1,0,0,0,0|2,0,1]=4 3134 B11R0.4 CCCCCCNC(C)CCC 2230a_100000210581_100000766640 [0,1,0,0,0,0|2,0,0]=3 3135 B11R0.4 CCCCCCNC(C)CCC 2230a_100000741246_100000210314 [0,1,0,0,0,0|2,0,0]=3 3136 B11R0.4 CCCCCCNC(C)CCC 270004a_100000210581_100000211909 [0,1,0,0,0,0|2,0,0]=3 3137 B11R0.4 CCCCCCNC(C)CCO 2230a_100000210581_100009893172 [0,1,0,0,0,0|2,0,0]=3 3138 B11R0.4 CCCCCCNC(C)COC 2230a_100000210581_100000765312 [0,1,0,0,0,0|2,0,0]=3 3139 B11R0.4 CCCCCCNC(C)COC 270004a_100000210581_100000749346 [0,1,0,0,0,0|2,0,0]=3 3140 B11R0.4 CCCCCCNC(C)CSC 270004a_100000210581_100011216314 [0,1,0,0,0,0|2,0,0]=3 3141 B11R0.4 CCCCCCN[C@@H](C)CC#N 2230a_100016994482_100000210314 [0,1,0,0,0,0|2,0,1]=4 3142 B11R0.4 CCCCCCN[C@H](C)CCO 2230a_100000706166_100000210314 [0,1,0,0,0,0|2,0,0]=3 3143 B11R0.4 CCCCCCN[C@H](C)CCO 34a_100000706166_100000210314 [0,1,0,0,0,0|2,0,0]=3 3144 B11R0.4 CCCCCCN[C@H](C)COC 2230a_100000764878_100000210314 [0,1,0,0,0,0|2,0,0]=3 3145 B11R0.4 CCCCCCOC(C)CC#N 7a_100000210259_100009813641 [0,1,0,0,0,0|2,0,1]=4 3146 B11R0.4 CCCCCCOC(C)CCBr 34a_100012276601_100000210314 [0,1,0,0,0,0|2,0,0]=3 3147 B11R0.4 CCCCCCOC(C)CCC 34a_100000210259_100000766640 [0,1,0,0,0,0|2,0,0]=3 3148 B11R0.4 CCCCCCOC(C)CCC 34a_100000764384_100000210314 [0,1,0,0,0,0|2,0,0]=3 3149 B11R0.4 CCCCCCOC(C)CCC 7a_100000210259_100000766640 [0,1,0,0,0,0|2,0,0]=3 3150 B11R0.4 CCCCCCOC(C)CCC 7a_100000764384_100000210314 [0,1,0,0,0,0|2,0,0]=3 3151 B11R0.4 CCCCCCOC(C)CCO 34a_100000210259_100009893172 [0,1,0,0,0,0|2,0,0]=3 3152 B11R0.4 CCCCCCOC(C)CCO 7a_100000210259_100009893172 [0,1,0,0,0,0|2,0,0]=3 3153 B11R0.4 CCCCCCOC(C)COC 34a_100000210259_100000765312 [0,1,0,0,0,0|2,0,0]=3 3154 B11R0.4 CCCCCCOC(C)COC 7a_100000210259_100000765312 [0,1,0,0,0,0|2,0,0]=3 3155 B11R0.4 CCCCCCO[C@H](C)COC 34a_100011934205_100000210314 [0,1,0,0,0,0|2,0,0]=3 3156 B11R0.4 CCCCCCSC(C)CC#N 62a_100000210314_100009813641 [0,1,0,0,0,0|2,0,1]=4 3157 B11R0.4 CCCCCCSC(C)CC#N 62a_100009813641_100000210757 [0,1,0,0,0,0|2,0,1]=4 3158 B11R0.4 CCCCCCSC(C)CCC 62a_100000210314_100000766640 [0,1,0,0,0,0|2,0,0]=3 3159 B11R0.4 CCCCCCSC(C)CCC 62a_100000766640_100000210757 [0,1,0,0,0,0|2,0,0]=3 3160 B11R0.4 CCCCCCSC(C)CCO 62a_100000210314_100009893172 [0,1,0,0,0,0|2,0,0]=3 3161 B11R0.4 CCCCCCSC(C)CCO 62a_100009893172_100000210757 [0,1,0,0,0,0|2,0,0]=3 3162 B11R0.4 CCCCCCSC(C)COC 62a_100000210314_100000765312 [0,1,0,0,0,0|2,0,0]=3 3163 B11R0.4 CCCCCCSC(C)COC 62a_100000765312_100000210757 [0,1,0,0,0,0|2,0,0]=3 3164 B11R0.4 CCCCCNCC(=O)CCC 2230a_100000209983_100000747444 [0,1,0,0,0,0|1,0,2]=4 3165 B11R0.4 CCCCCNCC(=O)NCC 2230a_100000209983_100000183381 [0,1,0,0,0,0|1,0,2]=4 3166 B11R0.4 CCCCCNCC(=O)NCC 2230a_100016988866_100000210326 [0,1,0,0,0,0|1,0,2]=4 3167 B11R0.4 CCCCCNCC(=O)OCC 2230a_100000209983_100000188475 [0,1,0,0,0,0|1,0,2]=4 3168 B11R0.4 CCCCCNCC(C)CCC 2230a_100000209983_100011216630 [0,1,0,0,0,0|2,0,0]=3 3169 B11R0.4 CCCCCNCC(C)CCC 270004a_100000209983_100000243154 [0,1,0,0,0,0|2,0,0]=3 3170 B11R0.4 CCCCCNCC(O)COC 2230a_100000756049_100000210326 [0,1,0,0,0,0|1,0,0]=2 3171 B11R0.4 CCCCCNCC(O)COC 34a_100000756049_100000718602 [0,1,0,0,0,0|1,0,0]=2 3172 B11R0.4 CCCCCNC[C@@H](O)CC#N 2230a_100000209983_100000001066 [0,1,0,0,0,0|1,0,1]=3 3173 B11R0.4 CCCCCOCC(=O)CCC 7a_100000210253_100000747444 [0,1,0,0,0,0|1,0,2]=4 3174 B11R0.4 CCCCCOCC(=O)NCC 34a_100000210253_100000183381 [0,1,0,0,0,0|1,0,2]=4 3175 B11R0.4 CCCCCOCC(=O)NCC 7a_100000210253_100000183381 [0,1,0,0,0,0|1,0,2]=4 3176 B11R0.4 CCCCCOCC(=O)OCC 34a_100000210253_100000188475 [0,1,0,0,0,0|1,0,2]=4 3177 B11R0.4 CCCCCOCC(=O)OCC 7a_100000210253_100000188475 [0,1,0,0,0,0|1,0,2]=4 3178 B11R0.4 CCCCCOCC(C)CCC 34a_100000210253_100011216630 [0,1,0,0,0,0|2,0,0]=3 3179 B11R0.4 CCCCCOCC(C)CCC 34a_100000688023_100000718602 [0,1,0,0,0,0|2,0,0]=3 3180 B11R0.4 CCCCCOCC(C)CCC 7a_100000210253_100011216630 [0,1,0,0,0,0|2,0,0]=3 3181 B11R0.4 CCCCCOCC(C)CCC 7a_100000688023_100000210326 [0,1,0,0,0,0|2,0,0]=3 3182 B11R0.4 CCCCCOCC(C)CCN 34a_106354213184_100000718602 [0,1,0,0,0,0|2,0,0]=3 3183 B11R0.4 CCCCCOCC(N)COC 34a_100000724102_100000718602 [0,1,0,0,0,0|2,0,0]=3 3184 B11R0.4 CCCCCOCC(O)COC 34a_100000210253_100011215053 [0,1,0,0,0,0|1,0,0]=2 3185 B11R0.4 CCCCCOCC(O)COC 7a_100000210253_100011215053 [0,1,0,0,0,0|1,0,0]=2 3186 B11R0.4 CCCCCOC[C@@H](N)CCC 34a_100000732646_100000718602 [0,1,0,0,0,0|2,0,0]=3 3187 B11R0.4 CCCCCOC[C@@H](O)CC#N 7a_100000210253_100000001066 [0,1,0,0,0,0|1,0,1]=3 3188 B11R0.4 CCCCCSCC(=O)CCC 62a_100000210326_100000747444 [0,1,0,0,0,0|1,0,2]=4 3189 B11R0.4 CCCCCSCC(=O)CCC 62a_100000747444_100000210326 [0,1,0,0,0,0|1,0,2]=4 3190 B11R0.4 CCCCCSCC(=O)NCC 62a_100000183381_100000210326 [0,1,0,0,0,0|1,0,2]=4 3191 B11R0.4 CCCCCSCC(=O)NCC 62a_100000210326_100000183381 [0,1,0,0,0,0|1,0,2]=4 3192 B11R0.4 CCCCCSCC(=O)OCC 62a_100000188475_100000210326 [0,1,0,0,0,0|1,0,2]=4 3193 B11R0.4 CCCCCSCC(=O)OCC 62a_100000210326_100000188475 [0,1,0,0,0,0|1,0,2]=4 3194 B11R0.4 CCCCCSCC(C)CCC 62a_100000210326_100011216630 [0,1,0,0,0,0|2,0,0]=3 3195 B11R0.4 CCCCCSCC(C)CCC 62a_100011216630_100000210326 [0,1,0,0,0,0|2,0,0]=3 3196 B11R0.4 CCCCCSCC(O)COC 62a_100000210326_100011215053 [0,1,0,0,0,0|1,0,0]=2 3197 B11R0.4 CCCCCSCC(O)COC 62a_100011215053_100000210326 [0,1,0,0,0,0|1,0,0]=2 3198 B11R0.4 CCCCCSC[C@@H](O)CC#N 62a_100000001066_100000210326 [0,1,0,0,0,0|1,0,1]=3 3199 B11R0.4 CCCCCSC[C@@H](O)CC#N 62a_100000210326_100000001066 [0,1,0,0,0,0|1,0,1]=3 3200 B11R0.4 CCCCNCCC(=O)NCC 2230a_100000102301_100000737597 [0,1,0,0,0,0|1,0,2]=4 3201 B11R0.4 CCCCNCCC(=O)NCC 34a_100025743525_100000210210 [0,1,0,0,0,0|1,0,2]=4 3202 B11R0.4 CCCCNCCC(=O)NCC 7a_106832991798_100000737597 [0,1,0,0,0,0|1,0,2]=4 3203 B11R0.4 CCCCNCCC(=O)OCC 2230a_100000102301_100011206558 [0,1,0,0,0,0|1,0,2]=4 3204 B11R0.4 CCCCNCCC(=O)OCC 7a_106832991798_100011206558 [0,1,0,0,0,0|1,0,2]=4 3205 B11R0.4 CCCCOCCC(=O)CCC 1458a_100000211992_100000743108 [0,1,0,0,0,0|1,0,2]=4 3206 B11R0.4 CCCCOCCC(=O)CCO 1458a_100011216618_100000743108 [0,1,0,0,0,0|1,0,2]=4 3207 B11R0.4 CCCCOCCC(=O)COC 1458a_100000210968_100000743108 [0,1,0,0,0,0|1,0,2]=4 3208 B11R0.4 CCCCOCCC(=O)CSC 1458a_100000184570_100000743108 [0,1,0,0,0,0|1,0,2]=4 3209 B11R0.4 CCCCOCCC(=O)NCC 7a_100000210227_100000737597 [0,1,0,0,0,0|1,0,2]=4 3210 B11R0.4 CCCCOCCC(=O)OCC 34a_100000210227_100000765890 [0,1,0,0,0,0|1,0,2]=4 3211 B11R0.4 CCCCOCCC(=O)OCC 7a_100000210227_100011206558 [0,1,0,0,0,0|1,0,2]=4 3212 B11R0.4 CCCCOCCC(C)CCC 34a_100011217855_100000210210 [0,1,0,0,0,0|2,0,0]=3 3213 B11R0.4 CCCCOCCC(C)CCC 7a_100011217855_100000210211 [0,1,0,0,0,0|2,0,0]=3 3214 B11R0.4 CCCCOCCN(C)CCC 2230a_100000747261_100000743108 [0,1,0,0,0,0|3,0,0]=4 3215 B11R0.4 CCCCOCCN(C)CCC 269982a_100000747261_100000743108 [0,1,0,0,0,0|3,0,0]=4 3216 B11R0.4 CCCCOCCN(C)CCO 2230a_100000210263_100000743108 [0,1,0,0,0,0|3,0,0]=4 3217 B11R0.4 CCCCOCCN(C)CCO 269982a_100000210263_100000743108 [0,1,0,0,0,0|3,0,0]=4 3218 B11R0.4 CCCCOCC[C@@H](N)CCC 34a_100015193777_100000210210 [0,1,0,0,0,0|2,0,0]=3 3219 B11R0.4 CCCCOCNC(C)CCC 2230a_100000741246_100011995733 [0,1,0,0,0,0|3,0,0]=4 3220 B11R0.4 CCCCOCN[C@H](C)CCO 2230a_100000706166_100011995733 [0,1,0,0,0,0|3,0,0]=4 3221 B11R0.4 CCCCOCN[C@H](C)CCO 34a_100000706166_100011995733 [0,1,0,0,0,0|3,0,0]=4 3222 B11R0.4 CCCCOCN[C@H](C)COC 2230a_100000764878_100011995733 [0,1,0,0,0,0|3,0,0]=4 3223 B11R0.4 CCCCOCOC(C)CCBr 34a_100012276601_100011995733 [0,1,0,0,0,0|3,0,0]=4 3224 B11R0.4 CCCCOCOC(C)CCC 34a_100000764384_100011995733 [0,1,0,0,0,0|3,0,0]=4 3225 B11R0.4 CCCCOCO[C@H](C)COC 34a_100011934205_100011995733 [0,1,0,0,0,0|3,0,0]=4 3226 B11R0.4 CCCCOCSC(C)CCC 62a_100000766640_100011995733 [0,1,0,0,0,0|3,0,0]=4 3227 B11R0.4 CCCCOCSC(C)CCC 62a_100011995733_100000766640 [0,1,0,0,0,0|3,0,0]=4 3228 B11R0.4 CCCCOCSC(C)CCO 62a_100009893172_100011995733 [0,1,0,0,0,0|3,0,0]=4 3229 B11R0.4 CCCCOCSC(C)CCO 62a_100011995733_100009893172 [0,1,0,0,0,0|3,0,0]=4 3230 B11R0.4 CCCCOCSC(C)COC 62a_100000765312_100011995733 [0,1,0,0,0,0|3,0,0]=4 3231 B11R0.4 CCCCOCSC(C)COC 62a_100011995733_100000765312 [0,1,0,0,0,0|3,0,0]=4 3232 B11R0.4 CCCCSCCC(=O)NCC 62a_100000210211_100000737597 [0,1,0,0,0,0|1,0,2]=4 3233 B11R0.4 CCCCSCCC(=O)NCC 62a_100000737597_100000210210 [0,1,0,0,0,0|1,0,2]=4 3234 B11R0.4 CCCCSCCC(=O)OCC 62a_100000210211_100000765890 [0,1,0,0,0,0|1,0,2]=4 3235 B11R0.4 CCCCSCCC(=O)OCC 62a_100000765890_100000210210 [0,1,0,0,0,0|1,0,2]=4 3236 B11R0.4 CCCN(C)CCCCCCF 2230a_100000747261_100015922095 [0,1,0,0,0,0|3,0,0]=4 3237 B11R0.4 CCCN(C)CCCCCCF 269982a_100000747261_100015922095 [0,1,0,0,0,0|3,0,0]=4 3238 B11R0.4 CCCN(C)CCCCCCO 2230a_100000747261_100000766143 [0,1,0,0,0,0|3,0,0]=4 3239 B11R0.4 CCCN(C)CCCCCCO 269982a_100000747261_100000766143 [0,1,0,0,0,0|3,0,0]=4 3240 B11R0.4 CCCOCCCC(=O)OCC 34a_100000210258_100009991533 [0,1,0,0,0,0|1,0,2]=4 3241 B11R0.4 CCCOCCCC(=O)OCC 7a_100012001163_100000210303 [0,1,0,0,0,0|1,0,2]=4 3242 B11R0.4 CCCOCCCC(C)CCC 34a_100011713154_100000210303 [0,1,0,0,0,0|2,0,0]=3 3243 B11R0.4 CCCOCCCC(C)CCC 7a_100011713154_100000210303 [0,1,0,0,0,0|2,0,0]=3 3244 B11R0.4 CCCOCCNC(C)CCC 2230a_100000741246_100011215938 [0,1,0,0,0,0|3,0,0]=4 3245 B11R0.4 CCCOCCNC(C)CCC 2230a_100161115042_100000766640 [0,1,0,0,0,0|3,0,0]=4 3246 B11R0.4 CCCOCCNC(C)CCC 270004a_100161115042_100000211909 [0,1,0,0,0,0|3,0,0]=4 3247 B11R0.4 CCCOCCNC(C)CCC 34a_100161115042_100000766640 [0,1,0,0,0,0|3,0,0]=4 3248 B11R0.4 CCCOCCNC(C)CCO 2230a_100161115042_100009893172 [0,1,0,0,0,0|3,0,0]=4 3249 B11R0.4 CCCOCCNC(C)CCO 34a_100161115042_100009893172 [0,1,0,0,0,0|3,0,0]=4 3250 B11R0.4 CCCOCCNC(C)COC 2230a_100161115042_100000765312 [0,1,0,0,0,0|3,0,0]=4 3251 B11R0.4 CCCOCCNC(C)COC 270004a_100161115042_100000749346 [0,1,0,0,0,0|3,0,0]=4 3252 B11R0.4 CCCOCCNC(C)COC 34a_100161115042_100000765312 [0,1,0,0,0,0|3,0,0]=4 3253 B11R0.4 CCCOCCNC(C)CSC 270004a_100161115042_100011216314 [0,1,0,0,0,0|3,0,0]=4 3254 B11R0.4 CCCOCCN[C@H](C)CCO 2230a_100000706166_100011215938 [0,1,0,0,0,0|3,0,0]=4 3255 B11R0.4 CCCOCCN[C@H](C)CCO 34a_100000706166_100011215938 [0,1,0,0,0,0|3,0,0]=4 3256 B11R0.4 CCCOCCN[C@H](C)COC 2230a_100000764878_100011215938 [0,1,0,0,0,0|3,0,0]=4 3257 B11R0.4 CCCOCCOC(C)CCBr 34a_100012276601_100011215938 [0,1,0,0,0,0|3,0,0]=4 3258 B11R0.4 CCCOCCOC(C)CCC 34a_100000752267_100000766640 [0,1,0,0,0,0|3,0,0]=4 3259 B11R0.4 CCCOCCOC(C)CCC 34a_100000764384_100011215938 [0,1,0,0,0,0|3,0,0]=4 3260 B11R0.4 CCCOCCOC(C)CCC 7a_100000752267_100000766640 [0,1,0,0,0,0|3,0,0]=4 3261 B11R0.4 CCCOCCOC(C)CCC 7a_100000764384_100011215938 [0,1,0,0,0,0|3,0,0]=4 3262 B11R0.4 CCCOCCOC(C)CCO 34a_100000752267_100009893172 [0,1,0,0,0,0|3,0,0]=4 3263 B11R0.4 CCCOCCOC(C)CCO 7a_100000752267_100009893172 [0,1,0,0,0,0|3,0,0]=4 3264 B11R0.4 CCCOCCOC(C)COC 34a_100000752267_100000765312 [0,1,0,0,0,0|3,0,0]=4 3265 B11R0.4 CCCOCCOC(C)COC 7a_100000752267_100000765312 [0,1,0,0,0,0|3,0,0]=4 3266 B11R0.4 CCCOCCO[C@H](C)COC 34a_100011934205_100011215938 [0,1,0,0,0,0|3,0,0]=4 3267 B11R0.4 CCCOCCSC(C)CCC 62a_100000766640_100011215938 [0,1,0,0,0,0|3,0,0]=4 3268 B11R0.4 CCCOCCSC(C)CCC 62a_100011215938_100000766640 [0,1,0,0,0,0|3,0,0]=4 3269 B11R0.4 CCCOCCSC(C)CCO 62a_100009893172_100011215938 [0,1,0,0,0,0|3,0,0]=4 3270 B11R0.4 CCCOCCSC(C)CCO 62a_100011215938_100009893172 [0,1,0,0,0,0|3,0,0]=4 3271 B11R0.4 CCCOCCSC(C)COC 62a_100000765312_100011215938 [0,1,0,0,0,0|3,0,0]=4 3272 B11R0.4 CCCOCCSC(C)COC 62a_100011215938_100000765312 [0,1,0,0,0,0|3,0,0]=4 3273 B11R0.4 CCCSCCCC(=O)OCC 62a_100000210303_100009991533 [0,1,0,0,0,0|1,0,2]=4 3274 B11R0.4 CCCSCCCC(=O)OCC 62a_100009991533_100000210303 [0,1,0,0,0,0|1,0,2]=4 3275 B11R0.4 CCCSCCNC(C)CCC 2230a_100020603323_100000766640 [0,1,0,0,0,0|3,0,0]=4 3276 B11R0.4 CCCSCCNC(C)CCC 270004a_100020603323_100000211909 [0,1,0,0,0,0|3,0,0]=4 3277 B11R0.4 CCCSCCNC(C)CCO 2230a_100020603323_100009893172 [0,1,0,0,0,0|3,0,0]=4 3278 B11R0.4 CCCSCCNC(C)COC 2230a_100020603323_100000765312 [0,1,0,0,0,0|3,0,0]=4 3279 B11R0.4 CCCSCCNC(C)COC 270004a_100020603323_100000749346 [0,1,0,0,0,0|3,0,0]=4 3280 B11R0.4 CCCSCCNC(C)CSC 270004a_100020603323_100011216314 [0,1,0,0,0,0|3,0,0]=4 3281 B11R0.4 CCCSCCOC(C)CCC 34a_200000230433_100000766640 [0,1,0,0,0,0|3,0,0]=4 3282 B11R0.4 CCCSCCOC(C)CCC 7a_200000230433_100000766640 [0,1,0,0,0,0|3,0,0]=4 3283 B11R0.4 CCCSCCOC(C)CCO 34a_200000230433_100009893172 [0,1,0,0,0,0|3,0,0]=4 3284 B11R0.4 CCCSCCOC(C)CCO 7a_200000230433_100009893172 [0,1,0,0,0,0|3,0,0]=4 3285 B11R0.4 CCCSCCOC(C)COC 34a_200000230433_100000765312 [0,1,0,0,0,0|3,0,0]=4 3286 B11R0.4 CCCSCCOC(C)COC 7a_200000230433_100000765312 [0,1,0,0,0,0|3,0,0]=4 3287 B11R0.4 CCC[C@H](N)CCOCCCF 34a_100015193777_100011934791 [0,1,0,0,0,0|3,0,0]=4 3288 B11R0.4 CCC[C@H](N)CCOCCCO 34a_100015193777_100000230001 [0,1,0,0,0,0|3,0,0]=4 3289 B11R0.4 CCC[C@H](N)CCOCCOC 34a_100015193777_100011201679 [0,1,0,0,0,0|3,0,0]=4 3290 B11R0.4 CCC[C@H](N)CCOCCSC 34a_100015193777_100000212216 [0,1,0,0,0,0|3,0,0]=4 3291 B11R0.4 CCC[C@H](N)COCCCCF 34a_100000732646_100000729493 [0,1,0,0,0,0|3,0,0]=4 3292 B11R0.4 CCC[C@H](N)COCCCCO 34a_100000732646_100011216708 [0,1,0,0,0,0|3,0,0]=4 3293 B11R0.4 CCC[C@H](N)COCCCOC 34a_100000732646_100000740836 [0,1,0,0,0,0|3,0,0]=4 3294 B11R0.4 CCC[C@H](N)COCCOCC 34a_100000732646_100000210147 [0,1,0,0,0,0|3,0,0]=4 3295 B11R0.4 CCC[C@H](N)COCCSCC 34a_100000732646_100000757381 [0,1,0,0,0,0|3,0,0]=4 3296 B11R0.4 CCNC(=O)CCCCCCO 240690a_100015525214_100011996774 [0,1,0,0,0,0|1,0,2]=4 3297 B11R0.4 CCNC(=O)CCCCCOC 11a_100015525214_100011935119 [0,1,0,0,0,0|1,0,2]=4 3298 B11R0.4 CCNC(=O)CCCCCOC 240690a_100015525214_100011935119 [0,1,0,0,0,0|1,0,2]=4 3299 B11R0.4 CCNC(=O)CCCCCOC 527a_100015525214_100011935119 [0,1,0,0,0,0|1,0,2]=4 3300 B11R0.4 CCNCCCCC(=O)OCC 2230a_100015525214_100000750268 [0,1,0,0,0,0|1,0,2]=4 3301 B11R0.4 CCOC(=O)CCCCCNC 2230a_106832991635_100000755133 [0,1,0,0,0,0|1,0,2]=4 3302 B11R0.4 CCOC(=O)CCCCCNC 34a_100102657272_100000755133 [0,1,0,0,0,0|1,0,2]=4 3303 B11R0.4 CCOC(=O)CCCCCNC 7a_106832991635_100000755133 [0,1,0,0,0,0|1,0,2]=4 3304 B11R0.4 CCOC(=O)CCCCCOC 34a_100138415774_100000755133 [0,1,0,0,0,0|1,0,2]=4 3305 B11R0.4 CCOC(=O)CCCCCOC 7a_100011214988_200000210301 [0,1,0,0,0,0|1,0,2]=4 3306 B11R0.4 CCOC(=O)CCCCCO[13CH3] 7a_100011214988_200025704644 [0,1,0,0,0,0|1,0,2]=4 3307 B11R0.4 CCOC(=O)CCCCCSC 62a_100000755133_200000210301 [0,1,0,0,0,0|1,0,2]=4 3308 B11R0.4 CCOC(=O)CCCCCSC 62a_200000210301_100000755133 [0,1,0,0,0,0|1,0,2]=4 3309 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_100000755133_200025704644 [0,1,0,0,0,0|1,0,2]=4 3310 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_200025704644_100000755133 [0,1,0,0,0,0|1,0,2]=4 3311 B11R0.4 CCOC(=O)CCCCSCC 62a_100000210202_100000750268 [0,1,0,0,0,0|1,0,2]=4 3312 B11R0.4 CCOC(=O)CCCCSCC 62a_100000750268_100000210202 [0,1,0,0,0,0|1,0,2]=4 3313 B11R0.4 CCOCCCCC(=O)OCC 34a_100121572206_100000750268 [0,1,0,0,0,0|1,0,2]=4 3314 B11R0.4 CCOCCCNC(C)CCO 2230a_100000210961_100009893172 [0,1,0,0,0,0|3,0,0]=4 3315 B11R0.4 CCOCCCNC(C)CCO 34a_100000210961_100009893172 [0,1,0,0,0,0|3,0,0]=4 3316 B11R0.4 CCOCCCNC(C)COC 2230a_100000210961_100000765312 [0,1,0,0,0,0|3,0,0]=4 3317 B11R0.4 CCOCCCNC(C)COC 270004a_100000210961_100000749346 [0,1,0,0,0,0|3,0,0]=4 3318 B11R0.4 CCOCCCNC(C)COC 34a_100000210961_100000765312 [0,1,0,0,0,0|3,0,0]=4 3319 B11R0.4 CCOCCCNC(C)CSC 270004a_100000210961_100011216314 [0,1,0,0,0,0|3,0,0]=4 3320 B11R0.4 CCOCCCN[C@H](C)CCO 2230a_100000706166_100012232248 [0,1,0,0,0,0|3,0,0]=4 3321 B11R0.4 CCOCCCN[C@H](C)CCO 34a_100000706166_100012232248 [0,1,0,0,0,0|3,0,0]=4 3322 B11R0.4 CCOCCCN[C@H](C)COC 2230a_100000764878_100012232248 [0,1,0,0,0,0|3,0,0]=4 3323 B11R0.4 CCOCCCOC(C)CCBr 34a_100012276601_100012232248 [0,1,0,0,0,0|3,0,0]=4 3324 B11R0.4 CCOCCCOC(C)CCO 34a_100000757476_100009893172 [0,1,0,0,0,0|3,0,0]=4 3325 B11R0.4 CCOCCCOC(C)CCO 7a_100000757476_100009893172 [0,1,0,0,0,0|3,0,0]=4 3326 B11R0.4 CCOCCCOC(C)COC 34a_100000757476_100000765312 [0,1,0,0,0,0|3,0,0]=4 3327 B11R0.4 CCOCCCOC(C)COC 7a_100000757476_100000765312 [0,1,0,0,0,0|3,0,0]=4 3328 B11R0.4 CCOCCCO[C@H](C)COC 34a_100011934205_100012232248 [0,1,0,0,0,0|3,0,0]=4 3329 B11R0.4 CCOCCCSC(C)CCO 62a_100009893172_100012232248 [0,1,0,0,0,0|3,0,0]=4 3330 B11R0.4 CCOCCCSC(C)CCO 62a_100012232248_100009893172 [0,1,0,0,0,0|3,0,0]=4 3331 B11R0.4 CCOCCCSC(C)COC 62a_100000765312_100012232248 [0,1,0,0,0,0|3,0,0]=4 3332 B11R0.4 CCOCCCSC(C)COC 62a_100012232248_100000765312 [0,1,0,0,0,0|3,0,0]=4 3333 B11R0.4 CCOCCNCC(O)COC 2230a_100000756049_100011215890 [0,1,0,0,0,0|2,0,0]=3 3334 B11R0.4 CCOCCNCC(O)COC 34a_100000756049_100000210147 [0,1,0,0,0,0|2,0,0]=3 3335 B11R0.4 CCOCCNCC(O)COC 34a_102516460346_100011215053 [0,1,0,0,0,0|2,0,0]=3 3336 B11R0.4 CCOCCNC[C@@H](O)CC#N 2230a_102516460346_100000001066 [0,1,0,0,0,0|2,0,1]=4 3337 B11R0.4 CCOCCOCC(C)CCN 34a_106354213184_100000210147 [0,1,0,0,0,0|3,0,0]=4 3338 B11R0.4 CCOCCOCC(N)COC 34a_100000724102_100000210147 [0,1,0,0,0,0|3,0,0]=4 3339 B11R0.4 CCOCCOCC(O)COC 34a_100000210136_100011215053 [0,1,0,0,0,0|2,0,0]=3 3340 B11R0.4 CCOCCOCC(O)COC 7a_100000210136_100011215053 [0,1,0,0,0,0|2,0,0]=3 3341 B11R0.4 CCOCCOC[C@@H](O)CC#N 7a_100000210136_100000001066 [0,1,0,0,0,0|2,0,1]=4 3342 B11R0.4 CCOCCSCC(O)COC 62a_100000210147_100011215053 [0,1,0,0,0,0|2,0,0]=3 3343 B11R0.4 CCOCCSCC(O)COC 62a_100011215053_100011215890 [0,1,0,0,0,0|2,0,0]=3 3344 B11R0.4 CCOCCSC[C@@H](O)CC#N 62a_100000001066_100011215890 [0,1,0,0,0,0|2,0,1]=4 3345 B11R0.4 CCOCCSC[C@@H](O)CC#N 62a_100000210147_100000001066 [0,1,0,0,0,0|2,0,1]=4 3346 B11R0.4 CCSCCCOC(C)CCO 34a_100011216438_100009893172 [0,1,0,0,0,0|3,0,0]=4 3347 B11R0.4 CCSCCCOC(C)CCO 7a_100011216438_100009893172 [0,1,0,0,0,0|3,0,0]=4 3348 B11R0.4 CCSCCCOC(C)COC 34a_100011216438_100000765312 [0,1,0,0,0,0|3,0,0]=4 3349 B11R0.4 CCSCCCOC(C)COC 7a_100011216438_100000765312 [0,1,0,0,0,0|3,0,0]=4 3350 B11R0.4 CCSCCNCC(O)COC 2230a_100000756049_100000757381 [0,1,0,0,0,0|2,0,0]=3 3351 B11R0.4 CCSCCNCC(O)COC 34a_100000756049_100000757381 [0,1,0,0,0,0|2,0,0]=3 3352 B11R0.4 CCSCCNC[C@@H](O)CC#N 2230a_100000106463_100000001066 [0,1,0,0,0,0|2,0,1]=4 3353 B11R0.4 CCSCCOCC(C)CCN 34a_106354213184_100000757381 [0,1,0,0,0,0|3,0,0]=4 3354 B11R0.4 CCSCCOCC(N)COC 34a_100000724102_100000757381 [0,1,0,0,0,0|3,0,0]=4 3355 B11R0.4 CCSCCOCC(O)COC 34a_100000212035_100011215053 [0,1,0,0,0,0|2,0,0]=3 3356 B11R0.4 CCSCCOCC(O)COC 7a_100000212035_100011215053 [0,1,0,0,0,0|2,0,0]=3 3357 B11R0.4 CCSCCOC[C@@H](O)CC#N 7a_100000212035_100000001066 [0,1,0,0,0,0|2,0,1]=4 3358 B11R0.4 CCSCCSCC(O)COC 62a_100000757381_100011215053 [0,1,0,0,0,0|2,0,0]=3 3359 B11R0.4 CCSCCSCC(O)COC 62a_100011215053_100000757381 [0,1,0,0,0,0|2,0,0]=3 3360 B11R0.4 CCSCCSC[C@@H](O)CC#N 62a_100000001066_100000757381 [0,1,0,0,0,0|2,0,1]=4 3361 B11R0.4 CCSCCSC[C@@H](O)CC#N 62a_100000757381_100000001066 [0,1,0,0,0,0|2,0,1]=4 3362 B11R0.4 CN(CCO)CCCCCCF 2230a_100000210263_100015922095 [0,1,0,0,0,0|3,0,0]=4 3363 B11R0.4 CN(CCO)CCCCCCF 269982a_100000210263_100015922095 [0,1,0,0,0,0|3,0,0]=4 3364 B11R0.4 CN(CCO)CCCCCCO 2230a_100000210263_100000766143 [0,1,0,0,0,0|3,0,0]=4 3365 B11R0.4 CN(CCO)CCCCCCO 269982a_100000210263_100000766143 [0,1,0,0,0,0|3,0,0]=4 3366 B11R0.4 CNCCCOCC(O)COC 34a_100000213112_100011215053 [0,1,0,0,0,0|2,0,0]=3 3367 B11R0.4 COCC(=O)CCCCCCF 1458a_100000210968_100015922095 [0,1,0,0,0,0|1,0,2]=4 3368 B11R0.4 COCC(=O)CCCCCCO 1458a_100000210968_100000766143 [0,1,0,0,0,0|1,0,2]=4 3369 B11R0.4 COCC(C)NCCCCCO 2230a_100000762737_100000765312 [0,1,0,0,0,0|3,0,0]=4 3370 B11R0.4 COCC(C)NCCCCCO 270004a_100000762737_100000749346 [0,1,0,0,0,0|3,0,0]=4 3371 B11R0.4 COCC(C)NCCCCCO 34a_100000762737_100000765312 [0,1,0,0,0,0|3,0,0]=4 3372 B11R0.4 COCC(C)OCCCCCBr 34a_100000746331_100000765312 [0,1,0,0,0,0|3,0,0]=4 3373 B11R0.4 COCC(C)OCCCCCBr 7a_100000746331_100000765312 [0,1,0,0,0,0|3,0,0]=4 3374 B11R0.4 COCC(C)OCCCCCCl 34a_100000746330_100000765312 [0,1,0,0,0,0|3,0,0]=4 3375 B11R0.4 COCC(C)OCCCCCCl 7a_100000746330_100000765312 [0,1,0,0,0,0|3,0,0]=4 3376 B11R0.4 COCC(C)OCCCCCI 34a_200012148887_100000765312 [0,1,0,0,0,0|3,0,0]=4 3377 B11R0.4 COCC(C)OCCCCCI 7a_200012148887_100000765312 [0,1,0,0,0,0|3,0,0]=4 3378 B11R0.4 COCC(C)OCCCCCN 34a_100000762737_100000765312 [0,1,0,0,0,0|3,0,0]=4 3379 B11R0.4 COCC(C)OCCCCSC 34a_100011217163_100000765312 [0,1,0,0,0,0|3,0,0]=4 3380 B11R0.4 COCC(C)OCCCCSC 7a_100011217163_100000765312 [0,1,0,0,0,0|3,0,0]=4 3381 B11R0.4 COCC(C)SCCCCCF 62a_100000729378_100000765312 [0,1,0,0,0,0|3,0,0]=4 3382 B11R0.4 COCC(C)SCCCCCF 62a_100000765312_100000729378 [0,1,0,0,0,0|3,0,0]=4 3383 B11R0.4 COCC(C)SCCCCCO 62a_100000746330_100000765312 [0,1,0,0,0,0|3,0,0]=4 3384 B11R0.4 COCC(C)SCCCCCO 62a_100000765312_100000746330 [0,1,0,0,0,0|3,0,0]=4 3385 B11R0.4 COCC(N)COCCCCF 34a_100000724102_100000729493 [0,1,0,0,0,0|3,0,0]=4 3386 B11R0.4 COCC(N)COCCCCO 34a_100000724102_100011216708 [0,1,0,0,0,0|3,0,0]=4 3387 B11R0.4 COCC(O)CNCCCC#N 2230a_100000756049_100000687738 [0,1,0,0,0,0|2,0,1]=4 3388 B11R0.4 COCC(O)CNCCCC=O 2230a_100000756049_200011292268 [0,1,0,0,0,0|2,0,1]=4 3389 B11R0.4 COCC(O)CNCCCCF 2230a_100000756049_100000729493 [0,1,0,0,0,0|2,0,0]=3 3390 B11R0.4 COCC(O)CNCCCCF 34a_100000756049_100000729493 [0,1,0,0,0,0|2,0,0]=3 3391 B11R0.4 COCC(O)CNCCCCO 2230a_100000756049_100000210776 [0,1,0,0,0,0|2,0,0]=3 3392 B11R0.4 COCC(O)CNCCCCO 34a_100000750430_100011215053 [0,1,0,0,0,0|2,0,0]=3 3393 B11R0.4 COCC(O)CNCCCCO 34a_100000756049_100011216708 [0,1,0,0,0,0|2,0,0]=3 3394 B11R0.4 COCC(O)COCCCCBr 34a_100011216708_100011215053 [0,1,0,0,0,0|2,0,0]=3 3395 B11R0.4 COCC(O)COCCCCCl 34a_100000210776_100011215053 [0,1,0,0,0,0|2,0,0]=3 3396 B11R0.4 COCC(O)COCCCCCl 7a_100000210776_100011215053 [0,1,0,0,0,0|2,0,0]=3 3397 B11R0.4 COCC(O)COCCCCF 34a_100011995726_100011215053 [0,1,0,0,0,0|2,0,0]=3 3398 B11R0.4 COCC(O)COCCCCF 7a_100011995726_100011215053 [0,1,0,0,0,0|2,0,0]=3 3399 B11R0.4 COCC(O)COCCCCI 34a_200012148704_100011215053 [0,1,0,0,0,0|2,0,0]=3 3400 B11R0.4 COCC(O)COCCCCN 34a_100000750430_100011215053 [0,1,0,0,0,0|2,0,0]=3 3401 B11R0.4 COCC(O)COCCCSC 34a_100000690336_100011215053 [0,1,0,0,0,0|2,0,0]=3 3402 B11R0.4 COCC(O)COCCCSC 7a_100000690336_100011215053 [0,1,0,0,0,0|2,0,0]=3 3403 B11R0.4 COCC(O)CSCCCC#N 62a_100000687738_100011215053 [0,1,0,0,0,0|2,0,1]=4 3404 B11R0.4 COCC(O)CSCCCC#N 62a_100011215053_100000687738 [0,1,0,0,0,0|2,0,1]=4 3405 B11R0.4 COCC(O)CSCCCC=O 62a_100011215053_200011292268 [0,1,0,0,0,0|2,0,1]=4 3406 B11R0.4 COCC(O)CSCCCC=O 62a_200011292268_100011215053 [0,1,0,0,0,0|2,0,1]=4 3407 B11R0.4 COCC(O)CSCCCCF 62a_100000729493_100011215053 [0,1,0,0,0,0|2,0,0]=3 3408 B11R0.4 COCC(O)CSCCCCF 62a_100011215053_100000729493 [0,1,0,0,0,0|2,0,0]=3 3409 B11R0.4 COCC(O)CSCCCCO 62a_100000210776_100011215053 [0,1,0,0,0,0|2,0,0]=3 3410 B11R0.4 COCC(O)CSCCCCO 62a_100011215053_100000210776 [0,1,0,0,0,0|2,0,0]=3 3411 B11R0.4 COCCCCCC(=O)CCF 1458a_100011935119_100011217306 [0,1,0,0,0,0|1,0,2]=4 3412 B11R0.4 COCCCCCC(=O)CCO 1458a_100011935119_100000211926 [0,1,0,0,0,0|1,0,2]=4 3413 B11R0.4 COCCCCN[C@H](C)CCO 2230a_100000706166_100000730899 [0,1,0,0,0,0|3,0,0]=4 3414 B11R0.4 COCCCCN[C@H](C)CCO 34a_100000706166_100000755781 [0,1,0,0,0,0|3,0,0]=4 3415 B11R0.4 COCCCCN[C@H](C)COC 2230a_100000764878_100000730899 [0,1,0,0,0,0|3,0,0]=4 3416 B11R0.4 COCCCCOC(C)CCBr 34a_100012276601_100000755781 [0,1,0,0,0,0|3,0,0]=4 3417 B11R0.4 COCCCCOC(C)CCO 34a_100000740925_100009893172 [0,1,0,0,0,0|3,0,0]=4 3418 B11R0.4 COCCCCOC(C)COC 34a_100000740925_100000765312 [0,1,0,0,0,0|3,0,0]=4 3419 B11R0.4 COCCCCO[C@H](C)COC 34a_100011934205_100000755781 [0,1,0,0,0,0|3,0,0]=4 3420 B11R0.4 COCCCCSC(C)CCO 62a_100000730899_100009893172 [0,1,0,0,0,0|3,0,0]=4 3421 B11R0.4 COCCCCSC(C)CCO 62a_100009893172_100000730899 [0,1,0,0,0,0|3,0,0]=4 3422 B11R0.4 COCCCCSC(C)COC 62a_100000730899_100000765312 [0,1,0,0,0,0|3,0,0]=4 3423 B11R0.4 COCCCCSC(C)COC 62a_100000765312_100000730899 [0,1,0,0,0,0|3,0,0]=4 3424 B11R0.4 COCCCNCC(O)COC 2230a_100000756049_100000740836 [0,1,0,0,0,0|2,0,0]=3 3425 B11R0.4 COCCCNCC(O)COC 34a_100000756049_100000740836 [0,1,0,0,0,0|2,0,0]=3 3426 B11R0.4 COCCCNCC(O)COC 34a_100150723488_100011215053 [0,1,0,0,0,0|2,0,0]=3 3427 B11R0.4 COCCCOCC(C)CCN 34a_106354213184_100000740836 [0,1,0,0,0,0|3,0,0]=4 3428 B11R0.4 COCCCOCC(N)COC 34a_100000724102_100000740836 [0,1,0,0,0,0|3,0,0]=4 3429 B11R0.4 COCCCOCC(O)COC 34a_100000740835_100011215053 [0,1,0,0,0,0|2,0,0]=3 3430 B11R0.4 COCCCSCC(O)COC 62a_100000709357_100011215053 [0,1,0,0,0,0|2,0,0]=3 3431 B11R0.4 COCCCSCC(O)COC 62a_100011215053_100000709357 [0,1,0,0,0,0|2,0,0]=3 3432 B11R0.4 COCCCSC[C@@H](O)CC#N 62a_100000001066_100000709357 [0,1,0,0,0,0|2,0,1]=4 3433 B11R0.4 COCCCSC[C@@H](O)CC#N 62a_100000709357_100000001066 [0,1,0,0,0,0|2,0,1]=4 3434 B11R0.4 COC[C@@H](C)NCCCCCF 2230a_100000764878_100000729378 [0,1,0,0,0,0|3,0,0]=4 3435 B11R0.4 COC[C@@H](C)NCCCCCO 2230a_100000764878_100000746330 [0,1,0,0,0,0|3,0,0]=4 3436 B11R0.4 COC[C@@H](C)OCCCCCF 34a_100011934205_100000729378 [0,1,0,0,0,0|3,0,0]=4 3437 B11R0.4 COC[C@@H](C)OCCCCCO 34a_100011934205_100000746330 [0,1,0,0,0,0|3,0,0]=4 3438 B11R0.4 CSCC(=O)CCCCCCF 1458a_100000184570_100015922095 [0,1,0,0,0,0|1,0,2]=4 3439 B11R0.4 CSCC(=O)CCCCCCO 1458a_100000184570_100000766143 [0,1,0,0,0,0|1,0,2]=4 3440 B11R0.4 CSCC(C)NCCCCCO 270004a_100000762737_100011216314 [0,1,0,0,0,0|3,0,0]=4 3441 B11R0.4 CSCCCCOC(C)CCO 34a_100011217163_100009893172 [0,1,0,0,0,0|3,0,0]=4 3442 B11R0.4 CSCCCCOC(C)CCO 7a_100011217163_100009893172 [0,1,0,0,0,0|3,0,0]=4 3443 B11R0.4 CSCCCNC[C@@H](O)CC#N 2230a_100000749238_100000001066 [0,1,0,0,0,0|2,0,1]=4 3444 B11R0.4 CSCCCOC[C@@H](O)CC#N 7a_100000690336_100000001066 [0,1,0,0,0,0|2,0,1]=4 3445 B11R0.4 C[C@H](CCO)NCCCCCF 2230a_100000706166_100000729378 [0,1,0,0,0,0|3,0,0]=4 3446 B11R0.4 C[C@H](CCO)NCCCCCF 34a_100000706166_100000729378 [0,1,0,0,0,0|3,0,0]=4 3447 B11R0.4 C[C@H](CCO)NCCCCCO 2230a_100000706166_100000746330 [0,1,0,0,0,0|3,0,0]=4 3448 B11R0.4 C[C@H](CCO)NCCCCCO 34a_100000706166_100000746330 [0,1,0,0,0,0|3,0,0]=4 3449 B11R0.4 N#CC[C@H](O)CNCCCCO 2230a_100000750430_100000001066 [0,1,0,0,0,0|2,0,1]=4 3450 B11R0.4 N#CC[C@H](O)COCCCCCl 7a_100000210776_100000001066 [0,1,0,0,0,0|2,0,1]=4 3451 B11R0.4 N#CC[C@H](O)COCCCCF 7a_100011995726_100000001066 [0,1,0,0,0,0|2,0,1]=4 3452 B11R0.4 N#CC[C@H](O)CSCCCCF 62a_100000001066_100000729493 [0,1,0,0,0,0|2,0,1]=4 3453 B11R0.4 N#CC[C@H](O)CSCCCCF 62a_100000729493_100000001066 [0,1,0,0,0,0|2,0,1]=4 3454 B11R0.4 N#CC[C@H](O)CSCCCCO 62a_100000001066_100000210776 [0,1,0,0,0,0|2,0,1]=4 3455 B11R0.4 N#CC[C@H](O)CSCCCCO 62a_100000210776_100000001066 [0,1,0,0,0,0|2,0,1]=4 3456 B11R0.4 O=C(CCF)CCCCCCO 1458a_100011996774_100011217306 [0,1,0,0,0,0|1,0,2]=4 3457 B11R0.4 O=C(CCO)CCCCCCF 1458a_100011216618_100015922095 [0,1,0,0,0,0|1,0,2]=4 3458 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011216618_100000766143 [0,1,0,0,0,0|1,0,2]=4 3459 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011996774_100000211926 [0,1,0,0,0,0|1,0,2]=4 3460 B11R0.40 C#CC(C)NCCCCCCC 2230a_100000707721_100000210681 [0,1,0,0,0,0|1,0,2]=4 3461 B11R0.40 C#CC(C)NCCCCCCC 34a_100000707721_100000210614 [0,1,0,0,0,0|1,0,2]=4 3462 B11R0.40 C#CC(C)OCCCCCCC 34a_100000210272_200000035995 [0,1,0,0,0,0|1,0,2]=4 3463 B11R0.40 C#CC(C)SCCCCCCC 62a_200000035995_100000210316 [0,1,0,0,0,0|1,0,2]=4 3464 B11R0.40 C#CC(O)CCCCCNCC 2230a_100015525214_200010408556 [0,1,0,0,0,0|0,0,2]=3 3465 B11R0.40 C#CC(O)CCCCCOCC 34a_100121572206_200010408556 [0,1,0,0,0,0|0,0,2]=3 3466 B11R0.40 C#CC(O)CCCCCSCC 62a_100000210202_200010408556 [0,1,0,0,0,0|0,0,2]=3 3467 B11R0.40 C#CC(O)CCCCCSCC 62a_200010408556_100000210202 [0,1,0,0,0,0|0,0,2]=3 3468 B11R0.40 C#CC(O)CCCCCSCF 62a_100015361967_200010408556 [0,1,0,0,0,0|1,0,2]=4 3469 B11R0.40 C#CC(O)CCCCCSCF 62a_200010408556_100015361967 [0,1,0,0,0,0|1,0,2]=4 3470 B11R0.40 C#CCCCCCCC(=O)CC 1458a_100000034748_100000210202 [0,1,0,0,0,0|0,0,3]=4 3471 B11R0.40 C#CCCCCCCC(=O)CC 1458a_100000210414_100012276617 [0,1,0,0,0,0|0,0,3]=4 3472 B11R0.40 C#CCCCCCCN(C)CC 2230a_100000225621_100012276617 [0,1,0,0,0,0|2,0,1]=4 3473 B11R0.40 C#CCCCCCCN(C)CC 269982a_100000225621_100012276617 [0,1,0,0,0,0|2,0,1]=4 3474 B11R0.40 C#CCCCCCNC(C)CC 2230a_100000209981_100012094781 [0,1,0,0,0,0|1,0,2]=4 3475 B11R0.40 C#CCCCCCOC(C)CC 34a_100000766912_100011215416 [0,1,0,0,0,0|1,0,2]=4 3476 B11R0.40 C#CCCCCCOC(C)CC 7a_100000210228_100012094781 [0,1,0,0,0,0|1,0,2]=4 3477 B11R0.40 C#CCCCCCOC(C)CC 7a_100000766912_100000758301 [0,1,0,0,0,0|1,0,2]=4 3478 B11R0.40 C#CCCCCCSC(C)CC 62a_100000758301_100012094781 [0,1,0,0,0,0|1,0,2]=4 3479 B11R0.40 C#CCCCCCSC(C)CC 62a_100012094781_100000758301 [0,1,0,0,0,0|1,0,2]=4 3480 B11R0.40 C#CCCCCNCC(C)CC 2230a_100000706060_100000748023 [0,1,0,0,0,0|1,0,2]=4 3481 B11R0.40 C#CCCCCNCC(C)CC 2230a_100020588543_100010269958 [0,1,0,0,0,0|1,0,2]=4 3482 B11R0.40 C#CCCCCNCC(C)CC 34a_100000706060_100000748023 [0,1,0,0,0,0|1,0,2]=4 3483 B11R0.40 C#CCCCCNCC(O)CC 2230a_100000706060_100011218378 [0,1,0,0,0,0|0,0,2]=3 3484 B11R0.40 C#CCCCCNCC(O)CC 2230a_100011218483_100010269958 [0,1,0,0,0,0|0,0,2]=3 3485 B11R0.40 C#CCCCCNCC(O)CC 34a_100000706060_100011218378 [0,1,0,0,0,0|0,0,2]=3 3486 B11R0.40 C#CCCCCNCC(O)CO 2230a_100000706060_100011219619 [0,1,0,0,0,0|1,0,2]=4 3487 B11R0.40 C#CCCCCNCC(O)CO 34a_100000706060_100011219619 [0,1,0,0,0,0|1,0,2]=4 3488 B11R0.40 C#CCCCCNC[C@@H](C)CC 2230a_100000706060_100009816398 [0,1,0,0,0,0|1,0,2]=4 3489 B11R0.40 C#CCCCCNC[C@@H](C)CC 34a_100000706060_100009816398 [0,1,0,0,0,0|1,0,2]=4 3490 B11R0.40 C#CCCCCNC[C@@H](O)CF 2230a_100000706060_100015614560 [0,1,0,0,0,0|1,0,2]=4 3491 B11R0.40 C#CCCCCNC[C@@H](O)CF 34a_100000706060_100015614560 [0,1,0,0,0,0|1,0,2]=4 3492 B11R0.40 C#CCCCCNC[C@@H](O)CO 2230a_100000706060_100009815848 [0,1,0,0,0,0|1,0,2]=4 3493 B11R0.40 C#CCCCCNC[C@@H](O)CO 34a_100000706060_100009815848 [0,1,0,0,0,0|1,0,2]=4 3494 B11R0.40 C#CCCCCNC[C@H](O)CO 2230a_100020644852_100010269958 [0,1,0,0,0,0|1,0,2]=4 3495 B11R0.40 C#CCCCCOCC(C)CC 34a_100000766709_100000748023 [0,1,0,0,0,0|1,0,2]=4 3496 B11R0.40 C#CCCCCOCC(C)CC 7a_100000766709_100000748023 [0,1,0,0,0,0|1,0,2]=4 3497 B11R0.40 C#CCCCCOCC(O)CC 34a_100000766709_100011218378 [0,1,0,0,0,0|0,0,2]=3 3498 B11R0.40 C#CCCCCOCC(O)CC 7a_100000766709_100011218378 [0,1,0,0,0,0|0,0,2]=3 3499 B11R0.40 C#CCCCCOCC(O)CO 34a_100000766709_100011219619 [0,1,0,0,0,0|1,0,2]=4 3500 B11R0.40 C#CCCCCOCC(O)CO 7a_100000766709_100011219619 [0,1,0,0,0,0|1,0,2]=4 3501 B11R0.40 C#CCCCCOC[C@@H](C)CC 34a_100000766709_100009816398 [0,1,0,0,0,0|1,0,2]=4 3502 B11R0.40 C#CCCCCOC[C@@H](C)CC 7a_100000766709_100009816398 [0,1,0,0,0,0|1,0,2]=4 3503 B11R0.40 C#CCCCCOC[C@@H](C)CC 7a_100009816381_100010269958 [0,1,0,0,0,0|1,0,2]=4 3504 B11R0.40 C#CCCCCOC[C@@H](O)CF 34a_100000766709_100015614560 [0,1,0,0,0,0|1,0,2]=4 3505 B11R0.40 C#CCCCCOC[C@@H](O)CF 7a_100000766709_100015614560 [0,1,0,0,0,0|1,0,2]=4 3506 B11R0.40 C#CCCCCOC[C@@H](O)CO 34a_100000766709_100009815848 [0,1,0,0,0,0|1,0,2]=4 3507 B11R0.40 C#CCCCCOC[C@@H](O)CO 7a_100000766709_100009815848 [0,1,0,0,0,0|1,0,2]=4 3508 B11R0.40 C#CCCCCSCC(C)CC 62a_100000748023_100010269958 [0,1,0,0,0,0|1,0,2]=4 3509 B11R0.40 C#CCCCCSCC(C)CC 62a_100010269958_100000748023 [0,1,0,0,0,0|1,0,2]=4 3510 B11R0.40 C#CCCCCSCC(O)CC 62a_100010269958_100011218378 [0,1,0,0,0,0|0,0,2]=3 3511 B11R0.40 C#CCCCCSCC(O)CC 62a_100011218378_100010269958 [0,1,0,0,0,0|0,0,2]=3 3512 B11R0.40 C#CCCCCSCC(O)CO 62a_100010269958_100011219619 [0,1,0,0,0,0|1,0,2]=4 3513 B11R0.40 C#CCCCCSCC(O)CO 62a_100011219619_100010269958 [0,1,0,0,0,0|1,0,2]=4 3514 B11R0.40 C#CCCCCSC[C@@H](C)CC 62a_100009816398_100010269958 [0,1,0,0,0,0|1,0,2]=4 3515 B11R0.40 C#CCCCCSC[C@@H](C)CC 62a_100010269958_100009816398 [0,1,0,0,0,0|1,0,2]=4 3516 B11R0.40 C#CCCCCSC[C@@H](O)CF 62a_100010269958_100015614560 [0,1,0,0,0,0|1,0,2]=4 3517 B11R0.40 C#CCCCCSC[C@@H](O)CF 62a_100015614560_100010269958 [0,1,0,0,0,0|1,0,2]=4 3518 B11R0.40 C#CCCCCSC[C@@H](O)CO 62a_100009815848_100010269958 [0,1,0,0,0,0|1,0,2]=4 3519 B11R0.40 C#CCCCCSC[C@@H](O)CO 62a_100010269958_100009815848 [0,1,0,0,0,0|1,0,2]=4 3520 B11R0.40 C#CCCCNCCC(C)CC 2230a_100020591266_100000731252 [0,1,0,0,0,0|1,0,2]=4 3521 B11R0.40 C#CCCCOCCC(C)CC 7a_100011215188_100011215417 [0,1,0,0,0,0|1,0,2]=4 3522 B11R0.40 C#CCCOCCCC(C)CC 7a_100011216074_100000688953 [0,1,0,0,0,0|1,0,2]=4 3523 B11R0.40 C#CCOCCNCC(O)CC 2230a_100000700922_100011218378 [0,1,0,0,0,0|1,0,2]=4 3524 B11R0.40 C#CCOCCNCC(O)CC 2230a_100011218483_100010402529 [0,1,0,0,0,0|1,0,2]=4 3525 B11R0.40 C#CCOCCNCC(O)CC 34a_100000700922_100011218378 [0,1,0,0,0,0|1,0,2]=4 3526 B11R0.40 C#CCOCCOCC(O)CC 34a_100000054580_100011218378 [0,1,0,0,0,0|1,0,2]=4 3527 B11R0.40 C#CCOCCOCC(O)CC 7a_100000054580_100011218378 [0,1,0,0,0,0|1,0,2]=4 3528 B11R0.40 C#CCOCCSCC(O)CC 62a_100010402529_100011218378 [0,1,0,0,0,0|1,0,2]=4 3529 B11R0.40 C#CCOCCSCC(O)CC 62a_100011218378_100010402529 [0,1,0,0,0,0|1,0,2]=4 3530 B11R0.40 C#C[C@@H](C)OCCCCCCC 34a_100009815206_100000210614 [0,1,0,0,0,0|1,0,2]=4 3531 B11R0.40 C#C[C@@H](C)OCCCCCCC 7a_100009815206_100000210614 [0,1,0,0,0,0|1,0,2]=4 3532 B11R0.40 C/C=C/COCCCC(C)CC 7a_100011216074_100102629194 [0,1,0,0,0,0|1,0,2]=4 3533 B11R0.40 C=CC(C)COCCCCCC 34a_100011215527_100000210314 [0,1,0,0,0,0|1,0,2]=4 3534 B11R0.40 C=CC(C)COCCCCCC 7a_100011215527_100000210314 [0,1,0,0,0,0|1,0,2]=4 3535 B11R0.40 C=CC(C)OCCCCCCC 34a_100000695699_100000210614 [0,1,0,0,0,0|1,0,2]=4 3536 B11R0.40 C=CC(C)SCCCCCCC 62a_100011215867_100000210316 [0,1,0,0,0,0|1,0,2]=4 3537 B11R0.40 C=CC(O)CNCCCCCC 2230a_100000210581_100000730141 [0,1,0,0,0,0|0,0,2]=3 3538 B11R0.40 C=CC(O)CNCCCCCO 2230a_100000762737_100000730141 [0,1,0,0,0,0|1,0,2]=4 3539 B11R0.40 C=CC(O)CNCCCCCO 34a_100000762737_100000730141 [0,1,0,0,0,0|1,0,2]=4 3540 B11R0.40 C=CC(O)CNCCCOCC 2230a_100000210961_100000730141 [0,1,0,0,0,0|1,0,2]=4 3541 B11R0.40 C=CC(O)CNCCCOCC 34a_100000210961_100000730141 [0,1,0,0,0,0|1,0,2]=4 3542 B11R0.40 C=CC(O)CNCCOCCC 2230a_100161115042_100000730141 [0,1,0,0,0,0|1,0,2]=4 3543 B11R0.40 C=CC(O)CNCCOCCC 34a_100161115042_100000730141 [0,1,0,0,0,0|1,0,2]=4 3544 B11R0.40 C=CC(O)CNCCSCCC 2230a_100020603323_100000730141 [0,1,0,0,0,0|1,0,2]=4 3545 B11R0.40 C=CC(O)COCCCCCBr 34a_100000746331_100000730141 [0,1,0,0,0,0|1,0,2]=4 3546 B11R0.40 C=CC(O)COCCCCCBr 7a_100000746331_100000730141 [0,1,0,0,0,0|1,0,2]=4 3547 B11R0.40 C=CC(O)COCCCCCC 34a_100000210259_100000730141 [0,1,0,0,0,0|0,0,2]=3 3548 B11R0.40 C=CC(O)COCCCCCC 7a_100000210259_100000730141 [0,1,0,0,0,0|0,0,2]=3 3549 B11R0.40 C=CC(O)COCCCCCCl 34a_100000746330_100000730141 [0,1,0,0,0,0|1,0,2]=4 3550 B11R0.40 C=CC(O)COCCCCCCl 7a_100000746330_100000730141 [0,1,0,0,0,0|1,0,2]=4 3551 B11R0.40 C=CC(O)COCCCCCI 34a_200012148887_100000730141 [0,1,0,0,0,0|1,0,2]=4 3552 B11R0.40 C=CC(O)COCCCCCI 7a_200012148887_100000730141 [0,1,0,0,0,0|1,0,2]=4 3553 B11R0.40 C=CC(O)COCCCCCN 34a_100000762737_100000730141 [0,1,0,0,0,0|1,0,2]=4 3554 B11R0.40 C=CC(O)COCCCCOC 34a_100000740925_100000730141 [0,1,0,0,0,0|1,0,2]=4 3555 B11R0.40 C=CC(O)COCCCCSC 34a_100011217163_100000730141 [0,1,0,0,0,0|1,0,2]=4 3556 B11R0.40 C=CC(O)COCCCCSC 7a_100011217163_100000730141 [0,1,0,0,0,0|1,0,2]=4 3557 B11R0.40 C=CC(O)COCCCOCC 34a_100000757476_100000730141 [0,1,0,0,0,0|1,0,2]=4 3558 B11R0.40 C=CC(O)COCCCOCC 7a_100000757476_100000730141 [0,1,0,0,0,0|1,0,2]=4 3559 B11R0.40 C=CC(O)COCCCSCC 34a_100011216438_100000730141 [0,1,0,0,0,0|1,0,2]=4 3560 B11R0.40 C=CC(O)COCCCSCC 7a_100011216438_100000730141 [0,1,0,0,0,0|1,0,2]=4 3561 B11R0.40 C=CC(O)COCCOCCC 34a_100000752267_100000730141 [0,1,0,0,0,0|1,0,2]=4 3562 B11R0.40 C=CC(O)COCCOCCC 7a_100000752267_100000730141 [0,1,0,0,0,0|1,0,2]=4 3563 B11R0.40 C=CC(O)COCCSCCC 34a_200000230433_100000730141 [0,1,0,0,0,0|1,0,2]=4 3564 B11R0.40 C=CC(O)COCCSCCC 7a_200000230433_100000730141 [0,1,0,0,0,0|1,0,2]=4 3565 B11R0.40 C=CC(O)CSCCCCCC 62a_100000210314_100000730141 [0,1,0,0,0,0|0,0,2]=3 3566 B11R0.40 C=CC(O)CSCCCCCC 62a_100000730141_100000210757 [0,1,0,0,0,0|0,0,2]=3 3567 B11R0.40 C=CC(O)CSCCCCCF 62a_100000729378_100000730141 [0,1,0,0,0,0|1,0,2]=4 3568 B11R0.40 C=CC(O)CSCCCCCF 62a_100000730141_100000729378 [0,1,0,0,0,0|1,0,2]=4 3569 B11R0.40 C=CC(O)CSCCCCCO 62a_100000730141_100000746330 [0,1,0,0,0,0|1,0,2]=4 3570 B11R0.40 C=CC(O)CSCCCCCO 62a_100000746330_100000730141 [0,1,0,0,0,0|1,0,2]=4 3571 B11R0.40 C=CC(O)CSCCCCOC 62a_100000730141_100000730899 [0,1,0,0,0,0|1,0,2]=4 3572 B11R0.40 C=CC(O)CSCCCCOC 62a_100000730899_100000730141 [0,1,0,0,0,0|1,0,2]=4 3573 B11R0.40 C=CC(O)CSCCCOCC 62a_100000730141_100012232248 [0,1,0,0,0,0|1,0,2]=4 3574 B11R0.40 C=CC(O)CSCCCOCC 62a_100012232248_100000730141 [0,1,0,0,0,0|1,0,2]=4 3575 B11R0.40 C=CC(O)CSCCOCCC 62a_100000730141_100011215938 [0,1,0,0,0,0|1,0,2]=4 3576 B11R0.40 C=CC(O)CSCCOCCC 62a_100011215938_100000730141 [0,1,0,0,0,0|1,0,2]=4 3577 B11R0.40 C=CC(O)CSCOCCCC 62a_100000730141_100011995733 [0,1,0,0,0,0|1,0,2]=4 3578 B11R0.40 C=CC(O)CSCOCCCC 62a_100011995733_100000730141 [0,1,0,0,0,0|1,0,2]=4 3579 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100000210414_100011215473 [0,1,0,0,0,0|0,0,3]=4 3580 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100011809334_100000210202 [0,1,0,0,0,0|0,0,3]=4 3581 B11R0.40 C=CCCCCCCN(C)CC 2230a_100000225621_100011215473 [0,1,0,0,0,0|2,0,1]=4 3582 B11R0.40 C=CCCCCCCN(C)CC 269982a_100000225621_100011215473 [0,1,0,0,0,0|2,0,1]=4 3583 B11R0.40 C=CCCCCCNC(C)CC 2230a_100000209981_100000700193 [0,1,0,0,0,0|1,0,2]=4 3584 B11R0.40 C=CCCCCCOC(C)CC 34a_100011216702_100011215416 [0,1,0,0,0,0|1,0,2]=4 3585 B11R0.40 C=CCCCCCOC(C)CC 7a_100000210228_100000700193 [0,1,0,0,0,0|1,0,2]=4 3586 B11R0.40 C=CCCCCCOC(C)CC 7a_100011216702_100000758301 [0,1,0,0,0,0|1,0,2]=4 3587 B11R0.40 C=CCCCCCSC(C)CC 62a_100000700193_100000758301 [0,1,0,0,0,0|1,0,2]=4 3588 B11R0.40 C=CCCCCCSC(C)CC 62a_100000758301_100000700193 [0,1,0,0,0,0|1,0,2]=4 3589 B11R0.40 C=CCCCCNCC(C)CC 2230a_100000703577_100000748023 [0,1,0,0,0,0|1,0,2]=4 3590 B11R0.40 C=CCCCCNCC(C)CC 2230a_100020588543_100011215482 [0,1,0,0,0,0|1,0,2]=4 3591 B11R0.40 C=CCCCCNCC(C)CC 270004a_100000703577_100000243153 [0,1,0,0,0,0|1,0,2]=4 3592 B11R0.40 C=CCCCCNCC(C)CC 34a_100000703577_100000748023 [0,1,0,0,0,0|1,0,2]=4 3593 B11R0.40 C=CCCCCNCC(O)CC 2230a_100000703577_100011218378 [0,1,0,0,0,0|0,0,2]=3 3594 B11R0.40 C=CCCCCNCC(O)CC 2230a_100011218483_100011215482 [0,1,0,0,0,0|0,0,2]=3 3595 B11R0.40 C=CCCCCNCC(O)CC 34a_100000703577_100011218378 [0,1,0,0,0,0|0,0,2]=3 3596 B11R0.40 C=CCCCCNCC(O)CO 2230a_100000703577_100011219619 [0,1,0,0,0,0|1,0,2]=4 3597 B11R0.40 C=CCCCCNCC(O)CO 34a_100000703577_100011219619 [0,1,0,0,0,0|1,0,2]=4 3598 B11R0.40 C=CCCCCNC[C@@H](C)CC 2230a_100000703577_100009816398 [0,1,0,0,0,0|1,0,2]=4 3599 B11R0.40 C=CCCCCNC[C@@H](C)CC 34a_100000703577_100009816398 [0,1,0,0,0,0|1,0,2]=4 3600 B11R0.40 C=CCCCCNC[C@@H](O)CF 2230a_100000703577_100015614560 [0,1,0,0,0,0|1,0,2]=4 3601 B11R0.40 C=CCCCCNC[C@@H](O)CF 34a_100000703577_100015614560 [0,1,0,0,0,0|1,0,2]=4 3602 B11R0.40 C=CCCCCNC[C@@H](O)CO 2230a_100000703577_100009815848 [0,1,0,0,0,0|1,0,2]=4 3603 B11R0.40 C=CCCCCNC[C@@H](O)CO 34a_100000703577_100009815848 [0,1,0,0,0,0|1,0,2]=4 3604 B11R0.40 C=CCCCCNC[C@H](O)CO 2230a_100020644852_100011215482 [0,1,0,0,0,0|1,0,2]=4 3605 B11R0.40 C=CCCCCOCC(C)CC 34a_100000766645_100000748023 [0,1,0,0,0,0|1,0,2]=4 3606 B11R0.40 C=CCCCCOCC(C)CC 7a_100000766645_100000748023 [0,1,0,0,0,0|1,0,2]=4 3607 B11R0.40 C=CCCCCOCC(O)CC 34a_100000766645_100011218378 [0,1,0,0,0,0|0,0,2]=3 3608 B11R0.40 C=CCCCCOCC(O)CC 7a_100000766645_100011218378 [0,1,0,0,0,0|0,0,2]=3 3609 B11R0.40 C=CCCCCOCC(O)CO 34a_100000766645_100011219619 [0,1,0,0,0,0|1,0,2]=4 3610 B11R0.40 C=CCCCCOCC(O)CO 7a_100000766645_100011219619 [0,1,0,0,0,0|1,0,2]=4 3611 B11R0.40 C=CCCCCOC[C@@H](C)CC 34a_100000766645_100009816398 [0,1,0,0,0,0|1,0,2]=4 3612 B11R0.40 C=CCCCCOC[C@@H](C)CC 7a_100000766645_100009816398 [0,1,0,0,0,0|1,0,2]=4 3613 B11R0.40 C=CCCCCOC[C@@H](C)CC 7a_100009816381_100011215482 [0,1,0,0,0,0|1,0,2]=4 3614 B11R0.40 C=CCCCCOC[C@@H](O)CF 34a_100000766645_100015614560 [0,1,0,0,0,0|1,0,2]=4 3615 B11R0.40 C=CCCCCOC[C@@H](O)CF 7a_100000766645_100015614560 [0,1,0,0,0,0|1,0,2]=4 3616 B11R0.40 C=CCCCCOC[C@@H](O)CO 34a_100000766645_100009815848 [0,1,0,0,0,0|1,0,2]=4 3617 B11R0.40 C=CCCCCOC[C@@H](O)CO 7a_100000766645_100009815848 [0,1,0,0,0,0|1,0,2]=4 3618 B11R0.40 C=CCCCCSCC(C)CC 62a_100000748023_100011215482 [0,1,0,0,0,0|1,0,2]=4 3619 B11R0.40 C=CCCCCSCC(C)CC 62a_100011215482_100000748023 [0,1,0,0,0,0|1,0,2]=4 3620 B11R0.40 C=CCCCCSCC(O)CC 62a_100011215482_100011218378 [0,1,0,0,0,0|0,0,2]=3 3621 B11R0.40 C=CCCCCSCC(O)CC 62a_100011218378_100011215482 [0,1,0,0,0,0|0,0,2]=3 3622 B11R0.40 C=CCCCCSCC(O)CO 62a_100011215482_100011219619 [0,1,0,0,0,0|1,0,2]=4 3623 B11R0.40 C=CCCCCSCC(O)CO 62a_100011219619_100011215482 [0,1,0,0,0,0|1,0,2]=4 3624 B11R0.40 C=CCCCCSC[C@@H](C)CC 62a_100009816398_100011215482 [0,1,0,0,0,0|1,0,2]=4 3625 B11R0.40 C=CCCCCSC[C@@H](C)CC 62a_100011215482_100009816398 [0,1,0,0,0,0|1,0,2]=4 3626 B11R0.40 C=CCCCCSC[C@@H](O)CF 62a_100011215482_100015614560 [0,1,0,0,0,0|1,0,2]=4 3627 B11R0.40 C=CCCCCSC[C@@H](O)CF 62a_100015614560_100011215482 [0,1,0,0,0,0|1,0,2]=4 3628 B11R0.40 C=CCCCCSC[C@@H](O)CO 62a_100009815848_100011215482 [0,1,0,0,0,0|1,0,2]=4 3629 B11R0.40 C=CCCCCSC[C@@H](O)CO 62a_100011215482_100009815848 [0,1,0,0,0,0|1,0,2]=4 3630 B11R0.40 C=CCCCNCCC(C)CC 2230a_100020591266_100011713584 [0,1,0,0,0,0|1,0,2]=4 3631 B11R0.40 C=CCCCOCCC(C)CC 7a_100011215188_100000757094 [0,1,0,0,0,0|1,0,2]=4 3632 B11R0.40 C=CCCOCCCC(C)CC 7a_100011216074_100000754431 [0,1,0,0,0,0|1,0,2]=4 3633 B11R0.40 C=CCOCCOCC(O)CC 34a_100000037705_100011218378 [0,1,0,0,0,0|1,0,2]=4 3634 B11R0.40 C=CCOCCOCC(O)CC 7a_100000037705_100011218378 [0,1,0,0,0,0|1,0,2]=4 3635 B11R0.40 C=COCCCNCC(O)CC 2230a_100000210767_100011218378 [0,1,0,0,0,0|1,0,2]=4 3636 B11R0.40 C=COCCCNCC(O)CC 34a_100000210767_100011218378 [0,1,0,0,0,0|1,0,2]=4 3637 B11R0.40 C=C[C@H](N)COCCCCCC 34a_100016989147_100000210314 [0,1,0,0,0,0|1,0,2]=4 3638 B11R0.40 CC#CCOCCCC(C)CC 7a_100011216074_100000748600 [0,1,0,0,0,0|1,0,2]=4 3639 B11R0.40 CC(CF)OCCCCCCF 34a_100016041109_100015922095 [0,1,0,0,0,0|3,0,0]=4 3640 B11R0.40 CC(CF)OCCCCCCF 7a_100016041109_100015922095 [0,1,0,0,0,0|3,0,0]=4 3641 B11R0.40 CC(CF)OCCCCCCO 34a_100016041109_100000766143 [0,1,0,0,0,0|3,0,0]=4 3642 B11R0.40 CC(CF)OCCCCCCO 7a_100016041109_100000766143 [0,1,0,0,0,0|3,0,0]=4 3643 B11R0.40 CC(CN)COCCCCCF 34a_100000744482_100000729378 [0,1,0,0,0,0|3,0,0]=4 3644 B11R0.40 CC(CN)COCCCCCO 34a_100000744482_100000746330 [0,1,0,0,0,0|3,0,0]=4 3645 B11R0.40 CC(CN)OCCCCCCF 34a_100000210904_100015922095 [0,1,0,0,0,0|3,0,0]=4 3646 B11R0.40 CC(CN)OCCCCCCO 34a_100000210904_100000766143 [0,1,0,0,0,0|3,0,0]=4 3647 B11R0.40 CC(CO)CCNCCCCF 2230a_106354213184_100000729493 [0,1,0,0,0,0|3,0,0]=4 3648 B11R0.40 CC(CO)CCNCCCCF 34a_106354213184_100000729493 [0,1,0,0,0,0|3,0,0]=4 3649 B11R0.40 CC(CO)CCNCCCCO 2230a_106354213184_100000210776 [0,1,0,0,0,0|3,0,0]=4 3650 B11R0.40 CC(CO)CCNCCCCO 34a_106354213184_100011216708 [0,1,0,0,0,0|3,0,0]=4 3651 B11R0.40 CC(CO)CNCCCCCF 34a_100000744482_100000729378 [0,1,0,0,0,0|3,0,0]=4 3652 B11R0.40 CC(CO)CNCCCCCO 34a_100000744482_100000746330 [0,1,0,0,0,0|3,0,0]=4 3653 B11R0.40 CC(CO)NCCCCCCO 2230a_100000686447_100012180447 [0,1,0,0,0,0|3,0,0]=4 3654 B11R0.40 CC(CO)NCCCCCCO 34a_100000686447_100012180447 [0,1,0,0,0,0|3,0,0]=4 3655 B11R0.40 CC(CO)OCCCCCCBr 34a_100011215345_100012180447 [0,1,0,0,0,0|3,0,0]=4 3656 B11R0.40 CC(CO)OCCCCCCBr 7a_100011215345_100012180447 [0,1,0,0,0,0|3,0,0]=4 3657 B11R0.40 CC(CO)OCCCCCCCl 34a_100000766143_100012180447 [0,1,0,0,0,0|3,0,0]=4 3658 B11R0.40 CC(CO)OCCCCCCCl 7a_100000766143_100012180447 [0,1,0,0,0,0|3,0,0]=4 3659 B11R0.40 CC(CO)OCCCCCCF 34a_100000732779_100012180447 [0,1,0,0,0,0|3,0,0]=4 3660 B11R0.40 CC(CO)OCCCCCCF 7a_100000732779_100012180447 [0,1,0,0,0,0|3,0,0]=4 3661 B11R0.40 CC(CO)OCCCCCCN 34a_100000686447_100012180447 [0,1,0,0,0,0|3,0,0]=4 3662 B11R0.40 CC(CO)SCCCCCCF 62a_100012180447_100015922095 [0,1,0,0,0,0|3,0,0]=4 3663 B11R0.40 CC(CO)SCCCCCCO 62a_100012180447_100000766143 [0,1,0,0,0,0|3,0,0]=4 3664 B11R0.40 CC/C=C/CCCOC(C)CC 34a_100016287902_100011215416 [0,1,0,0,0,0|1,0,2]=4 3665 B11R0.40 CC/C=C/CCCOC(C)CC 7a_100016287902_100000758301 [0,1,0,0,0,0|1,0,2]=4 3666 B11R0.40 CC/C=C\CCNCC(C)CC 2230a_100020588543_100015370543 [0,1,0,0,0,0|1,0,2]=4 3667 B11R0.40 CC/C=C\CCNCC(O)CC 2230a_100011218483_100015370543 [0,1,0,0,0,0|0,0,2]=3 3668 B11R0.40 CC/C=C\CCNC[C@H](O)CO 2230a_100020644852_100015370543 [0,1,0,0,0,0|1,0,2]=4 3669 B11R0.40 CC/C=C\CCOCC(C)CC 34a_100016288707_100000748023 [0,1,0,0,0,0|1,0,2]=4 3670 B11R0.40 CC/C=C\CCOCC(C)CC 7a_100016288707_100000748023 [0,1,0,0,0,0|1,0,2]=4 3671 B11R0.40 CC/C=C\CCOCC(O)CC 34a_100016288707_100011218378 [0,1,0,0,0,0|0,0,2]=3 3672 B11R0.40 CC/C=C\CCOCC(O)CC 7a_100016288707_100011218378 [0,1,0,0,0,0|0,0,2]=3 3673 B11R0.40 CC/C=C\CCOCC(O)CO 34a_100016288707_100011219619 [0,1,0,0,0,0|1,0,2]=4 3674 B11R0.40 CC/C=C\CCOCC(O)CO 7a_100016288707_100011219619 [0,1,0,0,0,0|1,0,2]=4 3675 B11R0.40 CC/C=C\CCOC[C@@H](C)CC 34a_100016288707_100009816398 [0,1,0,0,0,0|1,0,2]=4 3676 B11R0.40 CC/C=C\CCOC[C@@H](C)CC 7a_100009816381_100015370543 [0,1,0,0,0,0|1,0,2]=4 3677 B11R0.40 CC/C=C\CCOC[C@@H](C)CC 7a_100016288707_100009816398 [0,1,0,0,0,0|1,0,2]=4 3678 B11R0.40 CC/C=C\CCOC[C@@H](O)CF 34a_100016288707_100015614560 [0,1,0,0,0,0|1,0,2]=4 3679 B11R0.40 CC/C=C\CCOC[C@@H](O)CF 7a_100016288707_100015614560 [0,1,0,0,0,0|1,0,2]=4 3680 B11R0.40 CC/C=C\CCOC[C@@H](O)CO 34a_100016288707_100009815848 [0,1,0,0,0,0|1,0,2]=4 3681 B11R0.40 CC/C=C\CCOC[C@@H](O)CO 7a_100016288707_100009815848 [0,1,0,0,0,0|1,0,2]=4 3682 B11R0.40 CC/C=C\CCSCC(C)CC 62a_100000748023_100015370543 [0,1,0,0,0,0|1,0,2]=4 3683 B11R0.40 CC/C=C\CCSCC(C)CC 62a_100015370543_100000748023 [0,1,0,0,0,0|1,0,2]=4 3684 B11R0.40 CC/C=C\CCSCC(O)CC 62a_100011218378_100015370543 [0,1,0,0,0,0|0,0,2]=3 3685 B11R0.40 CC/C=C\CCSCC(O)CC 62a_100015370543_100011218378 [0,1,0,0,0,0|0,0,2]=3 3686 B11R0.40 CC/C=C\CCSCC(O)CO 62a_100011219619_100015370543 [0,1,0,0,0,0|1,0,2]=4 3687 B11R0.40 CC/C=C\CCSCC(O)CO 62a_100015370543_100011219619 [0,1,0,0,0,0|1,0,2]=4 3688 B11R0.40 CC/C=C\CCSC[C@@H](C)CC 62a_100009816398_100015370543 [0,1,0,0,0,0|1,0,2]=4 3689 B11R0.40 CC/C=C\CCSC[C@@H](C)CC 62a_100015370543_100009816398 [0,1,0,0,0,0|1,0,2]=4 3690 B11R0.40 CC/C=C\CCSC[C@@H](O)CF 62a_100015370543_100015614560 [0,1,0,0,0,0|1,0,2]=4 3691 B11R0.40 CC/C=C\CCSC[C@@H](O)CF 62a_100015614560_100015370543 [0,1,0,0,0,0|1,0,2]=4 3692 B11R0.40 CC/C=C\CCSC[C@@H](O)CO 62a_100009815848_100015370543 [0,1,0,0,0,0|1,0,2]=4 3693 B11R0.40 CC/C=C\CCSC[C@@H](O)CO 62a_100015370543_100009815848 [0,1,0,0,0,0|1,0,2]=4 3694 B11R0.40 CC/C=C\CNCCC(C)CC 2230a_100020591266_100103147603 [0,1,0,0,0,0|1,0,2]=4 3695 B11R0.40 CC/C=C\COCCC(C)CC 7a_100011215188_100103147603 [0,1,0,0,0,0|1,0,2]=4 3696 B11R0.40 CC=C=CCCOCC(O)CC 34a_100011020354_100011218378 [0,1,0,0,0,0|0,0,3]=4 3697 B11R0.40 CC=CCCCOCC(C)CC 34a_100020645299_100000748023 [0,1,0,0,0,0|1,0,2]=4 3698 B11R0.40 CC=CCCCOCC(O)CC 34a_100020645299_100011218378 [0,1,0,0,0,0|0,0,2]=3 3699 B11R0.40 CC=CCCCOCC(O)CO 34a_100020645299_100011219619 [0,1,0,0,0,0|1,0,2]=4 3700 B11R0.40 CC=CCCCOC[C@@H](C)CC 34a_100020645299_100009816398 [0,1,0,0,0,0|1,0,2]=4 3701 B11R0.40 CC=CCCCOC[C@@H](O)CF 34a_100020645299_100015614560 [0,1,0,0,0,0|1,0,2]=4 3702 B11R0.40 CC=CCCCOC[C@@H](O)CO 34a_100020645299_100009815848 [0,1,0,0,0,0|1,0,2]=4 3703 B11R0.40 CC=CCOCCCC(C)CC 7a_100011216074_100000070051 [0,1,0,0,0,0|1,0,2]=4 3704 B11R0.40 CCC#CCCOCC(C)CC 34a_100000036655_100000748023 [0,1,0,0,0,0|1,0,2]=4 3705 B11R0.40 CCC#CCCOCC(C)CC 7a_100000036655_100000748023 [0,1,0,0,0,0|1,0,2]=4 3706 B11R0.40 CCC#CCCOCC(O)CC 34a_100000036655_100011218378 [0,1,0,0,0,0|0,0,2]=3 3707 B11R0.40 CCC#CCCOCC(O)CC 7a_100000036655_100011218378 [0,1,0,0,0,0|0,0,2]=3 3708 B11R0.40 CCC#CCCOCC(O)CO 34a_100000036655_100011219619 [0,1,0,0,0,0|1,0,2]=4 3709 B11R0.40 CCC#CCCOCC(O)CO 7a_100000036655_100011219619 [0,1,0,0,0,0|1,0,2]=4 3710 B11R0.40 CCC#CCCOC[C@@H](C)CC 34a_100000036655_100009816398 [0,1,0,0,0,0|1,0,2]=4 3711 B11R0.40 CCC#CCCOC[C@@H](C)CC 7a_100000036655_100009816398 [0,1,0,0,0,0|1,0,2]=4 3712 B11R0.40 CCC#CCCOC[C@@H](O)CF 34a_100000036655_100015614560 [0,1,0,0,0,0|1,0,2]=4 3713 B11R0.40 CCC#CCCOC[C@@H](O)CF 7a_100000036655_100015614560 [0,1,0,0,0,0|1,0,2]=4 3714 B11R0.40 CCC#CCCOC[C@@H](O)CO 34a_100000036655_100009815848 [0,1,0,0,0,0|1,0,2]=4 3715 B11R0.40 CCC#CCCOC[C@@H](O)CO 7a_100000036655_100009815848 [0,1,0,0,0,0|1,0,2]=4 3716 B11R0.40 CCC#CCNCCC(C)CC 2230a_100020591266_100009813939 [0,1,0,0,0,0|1,0,2]=4 3717 B11R0.40 CCC#CCOCCC(C)CC 7a_100011215188_100009813939 [0,1,0,0,0,0|1,0,2]=4 3718 B11R0.40 CCC(=O)CCCCCCC#N 1458a_100000210414_100009813337 [0,1,0,0,0,0|0,0,3]=4 3719 B11R0.40 CCC(=O)CCCCCCCO 1458a_100000210414_100000760002 [0,1,0,0,0,0|0,0,2]=3 3720 B11R0.40 CCC(=O)CCCCCCCO 1458a_100011219782_100000210202 [0,1,0,0,0,0|0,0,2]=3 3721 B11R0.40 CCC(=O)CCCCCCOC 1458a_100000210414_100011998445 [0,1,0,0,0,0|0,0,2]=3 3722 B11R0.40 CCC(=O)CCCOCCOC 1458a_100000210414_100011216529 [0,1,0,0,0,0|1,0,2]=4 3723 B11R0.40 CCC(=O)COCCCCCBr 7a_100000746331_100000747405 [0,1,0,0,0,0|1,0,2]=4 3724 B11R0.40 CCC(=O)COCCCCCCl 7a_100000746330_100000747405 [0,1,0,0,0,0|1,0,2]=4 3725 B11R0.40 CCC(=O)COCCCCCF 34a_100000725409_100000729378 [0,1,0,0,0,0|1,0,2]=4 3726 B11R0.40 CCC(=O)COCCCCCI 7a_200012148887_100000747405 [0,1,0,0,0,0|1,0,2]=4 3727 B11R0.40 CCC(=O)COCCCCCO 34a_100000725409_100000746330 [0,1,0,0,0,0|1,0,2]=4 3728 B11R0.40 CCC(=O)COCCCCOC 34a_100000725409_100000755781 [0,1,0,0,0,0|1,0,2]=4 3729 B11R0.40 CCC(=O)COCCCCSC 7a_100011217163_100000747405 [0,1,0,0,0,0|1,0,2]=4 3730 B11R0.40 CCC(=O)CSCCCCCF 62a_100000729378_100000747405 [0,1,0,0,0,0|1,0,2]=4 3731 B11R0.40 CCC(=O)CSCCCCCF 62a_100000747405_100000729378 [0,1,0,0,0,0|1,0,2]=4 3732 B11R0.40 CCC(=O)CSCCCCCO 62a_100000746330_100000747405 [0,1,0,0,0,0|1,0,2]=4 3733 B11R0.40 CCC(=O)CSCCCCCO 62a_100000747405_100000746330 [0,1,0,0,0,0|1,0,2]=4 3734 B11R0.40 CCC(=O)CSCCCCOC 62a_100000730899_100000747405 [0,1,0,0,0,0|1,0,2]=4 3735 B11R0.40 CCC(=O)CSCCCCOC 62a_100000747405_100000730899 [0,1,0,0,0,0|1,0,2]=4 3736 B11R0.40 CCC(=O)NCCCCCCO 240690a_100000686447_100000210414 [0,1,0,0,0,0|1,0,2]=4 3737 B11R0.40 CCC(=O)NCCCCCCO 527a_100000686447_100000210414 [0,1,0,0,0,0|1,0,2]=4 3738 B11R0.40 CCC(=O)NCCCCCOC 11a_100000747528_100000210414 [0,1,0,0,0,0|1,0,2]=4 3739 B11R0.40 CCC(=O)NCCCCCOC 1626a_100000747528_100000210414 [0,1,0,0,0,0|1,0,2]=4 3740 B11R0.40 CCC(=O)NCCCCCOC 240690a_100000747528_100000210414 [0,1,0,0,0,0|1,0,2]=4 3741 B11R0.40 CCC(=O)NCCCCCOC 527a_100000747528_100000210414 [0,1,0,0,0,0|1,0,2]=4 3742 B11R0.40 CCC(C)CCCCCOCF 7a_200000035636_100015361967 [0,1,0,0,0,0|2,0,0]=3 3743 B11R0.40 CCC(C)CCCOCCC#N 7a_100011216074_100000184422 [0,1,0,0,0,0|2,0,1]=4 3744 B11R0.40 CCC(C)CCCOCCCF 7a_100011216074_100011934791 [0,1,0,0,0,0|2,0,0]=3 3745 B11R0.40 CCC(C)CCCOCCCO 7a_100011216074_100011215043 [0,1,0,0,0,0|2,0,0]=3 3746 B11R0.40 CCC(C)CCCOCCOC 7a_100011216074_100000233755 [0,1,0,0,0,0|2,0,0]=3 3747 B11R0.40 CCC(C)CCCOCCSC 7a_100011216074_100000212216 [0,1,0,0,0,0|2,0,0]=3 3748 B11R0.40 CCC(C)CCNCCCC#N 2230a_100020591266_100000687738 [0,1,0,0,0,0|2,0,1]=4 3749 B11R0.40 CCC(C)CCNCCCC=O 2230a_100020591266_200011292268 [0,1,0,0,0,0|2,0,1]=4 3750 B11R0.40 CCC(C)CCNCCCCF 2230a_100020591266_100000729493 [0,1,0,0,0,0|2,0,0]=3 3751 B11R0.40 CCC(C)CCNCCCCO 2230a_100020591266_100000210776 [0,1,0,0,0,0|2,0,0]=3 3752 B11R0.40 CCC(C)CCNCCCOC 2230a_100020591266_100000740836 [0,1,0,0,0,0|2,0,0]=3 3753 B11R0.40 CCC(C)CCOCCCC#N 7a_100011215188_100000687738 [0,1,0,0,0,0|2,0,1]=4 3754 B11R0.40 CCC(C)CCOCCCC=O 7a_100011215188_200011292268 [0,1,0,0,0,0|2,0,1]=4 3755 B11R0.40 CCC(C)CCOCCCCF 7a_100011215188_100000729493 [0,1,0,0,0,0|2,0,0]=3 3756 B11R0.40 CCC(C)CCOCCCCO 7a_100011215188_100000210776 [0,1,0,0,0,0|2,0,0]=3 3757 B11R0.40 CCC(C)CCOCCCOC 7a_100011215188_100000740836 [0,1,0,0,0,0|2,0,0]=3 3758 B11R0.40 CCC(C)CNCCCCC#N 2230a_100020588543_100000211819 [0,1,0,0,0,0|2,0,1]=4 3759 B11R0.40 CCC(C)CNCCCCC#N 270004a_100000751965_100000243153 [0,1,0,0,0,0|2,0,1]=4 3760 B11R0.40 CCC(C)CNCCCCC=O 2230a_100020588543_100000139335 [0,1,0,0,0,0|2,0,1]=4 3761 B11R0.40 CCC(C)CNCCCCCF 2230a_100020588543_100000729378 [0,1,0,0,0,0|2,0,0]=3 3762 B11R0.40 CCC(C)CNCCCCCO 2230a_100000762737_100000748023 [0,1,0,0,0,0|2,0,0]=3 3763 B11R0.40 CCC(C)CNCCCCCO 2230a_100020588543_100000746330 [0,1,0,0,0,0|2,0,0]=3 3764 B11R0.40 CCC(C)CNCCCCCO 270004a_100000762737_100000243153 [0,1,0,0,0,0|2,0,0]=3 3765 B11R0.40 CCC(C)CNCCCCCO 34a_100000762737_100000748023 [0,1,0,0,0,0|2,0,0]=3 3766 B11R0.40 CCC(C)CNCCCCOC 2230a_100020588543_100000730899 [0,1,0,0,0,0|2,0,0]=3 3767 B11R0.40 CCC(C)CNCCOCCO 2230a_100000211614_100000748023 [0,1,0,0,0,0|3,0,0]=4 3768 B11R0.40 CCC(C)CNCCOCCO 2230a_100020588543_100011215305 [0,1,0,0,0,0|3,0,0]=4 3769 B11R0.40 CCC(C)CNCCOCCO 270004a_100000211614_100000243153 [0,1,0,0,0,0|3,0,0]=4 3770 B11R0.40 CCC(C)CNCCOCCO 34a_100000211614_100000748023 [0,1,0,0,0,0|3,0,0]=4 3771 B11R0.40 CCC(C)CNCCSCCO 2230a_100011219999_100000748023 [0,1,0,0,0,0|3,0,0]=4 3772 B11R0.40 CCC(C)CNCCSCCO 270004a_100011219999_100000243153 [0,1,0,0,0,0|3,0,0]=4 3773 B11R0.40 CCC(C)CNCOCCOC 2230a_100020588543_100000231047 [0,1,0,0,0,0|3,0,0]=4 3774 B11R0.40 CCC(C)COCCCCCBr 34a_100000746331_100000748023 [0,1,0,0,0,0|2,0,0]=3 3775 B11R0.40 CCC(C)COCCCCCBr 7a_100000746331_100000748023 [0,1,0,0,0,0|2,0,0]=3 3776 B11R0.40 CCC(C)COCCCCCCl 34a_100000746330_100000748023 [0,1,0,0,0,0|2,0,0]=3 3777 B11R0.40 CCC(C)COCCCCCCl 7a_100000746330_100000748023 [0,1,0,0,0,0|2,0,0]=3 3778 B11R0.40 CCC(C)COCCCCCI 34a_200012148887_100000748023 [0,1,0,0,0,0|2,0,0]=3 3779 B11R0.40 CCC(C)COCCCCCI 7a_200012148887_100000748023 [0,1,0,0,0,0|2,0,0]=3 3780 B11R0.40 CCC(C)COCCCCCN 34a_100000762737_100000748023 [0,1,0,0,0,0|2,0,0]=3 3781 B11R0.40 CCC(C)COCCCCOC 34a_100000740925_100000748023 [0,1,0,0,0,0|2,0,0]=3 3782 B11R0.40 CCC(C)COCCCCSC 34a_100011217163_100000748023 [0,1,0,0,0,0|2,0,0]=3 3783 B11R0.40 CCC(C)COCCCCSC 7a_100011217163_100000748023 [0,1,0,0,0,0|2,0,0]=3 3784 B11R0.40 CCC(C)COCCOCCBr 34a_100000692535_100000748023 [0,1,0,0,0,0|3,0,0]=4 3785 B11R0.40 CCC(C)COCCOCCBr 7a_100000692535_100000748023 [0,1,0,0,0,0|3,0,0]=4 3786 B11R0.40 CCC(C)COCCOCCCl 34a_100011215305_100000748023 [0,1,0,0,0,0|3,0,0]=4 3787 B11R0.40 CCC(C)COCCOCCCl 7a_100011215305_100000748023 [0,1,0,0,0,0|3,0,0]=4 3788 B11R0.40 CCC(C)COCCOCCF 34a_200015357709_100000748023 [0,1,0,0,0,0|3,0,0]=4 3789 B11R0.40 CCC(C)COCCOCCF 7a_200015357709_100000748023 [0,1,0,0,0,0|3,0,0]=4 3790 B11R0.40 CCC(C)COCCOCCI 34a_100012149058_100000748023 [0,1,0,0,0,0|3,0,0]=4 3791 B11R0.40 CCC(C)COCCOCCI 7a_100012149058_100000748023 [0,1,0,0,0,0|3,0,0]=4 3792 B11R0.40 CCC(C)COCCOCCN 34a_100000211614_100000748023 [0,1,0,0,0,0|3,0,0]=4 3793 B11R0.40 CCC(C)CSCCCCC#N 62a_100000748023_100000211819 [0,1,0,0,0,0|2,0,1]=4 3794 B11R0.40 CCC(C)CSCCCCC#N 62a_100011219923_100000748023 [0,1,0,0,0,0|2,0,1]=4 3795 B11R0.40 CCC(C)CSCCCCC=O 62a_100000139335_100000748023 [0,1,0,0,0,0|2,0,1]=4 3796 B11R0.40 CCC(C)CSCCCCC=O 62a_100000748023_100000139335 [0,1,0,0,0,0|2,0,1]=4 3797 B11R0.40 CCC(C)CSCCCCCF 62a_100000729378_100000748023 [0,1,0,0,0,0|2,0,0]=3 3798 B11R0.40 CCC(C)CSCCCCCF 62a_100000748023_100000729378 [0,1,0,0,0,0|2,0,0]=3 3799 B11R0.40 CCC(C)CSCCCCCO 62a_100000746330_100000748023 [0,1,0,0,0,0|2,0,0]=3 3800 B11R0.40 CCC(C)CSCCCCCO 62a_100000748023_100000746330 [0,1,0,0,0,0|2,0,0]=3 3801 B11R0.40 CCC(C)CSCCCCOC 62a_100000730899_100000748023 [0,1,0,0,0,0|2,0,0]=3 3802 B11R0.40 CCC(C)CSCCCCOC 62a_100000748023_100000730899 [0,1,0,0,0,0|2,0,0]=3 3803 B11R0.40 CCC(C)CSCCOCCO 62a_100000748023_100011215305 [0,1,0,0,0,0|3,0,0]=4 3804 B11R0.40 CCC(C)CSCCOCCO 62a_100011215305_100000748023 [0,1,0,0,0,0|3,0,0]=4 3805 B11R0.40 CCC(C)CSCOCCOC 62a_100000231047_100000748023 [0,1,0,0,0,0|3,0,0]=4 3806 B11R0.40 CCC(C)CSCOCCOC 62a_100000748023_100000231047 [0,1,0,0,0,0|3,0,0]=4 3807 B11R0.40 CCC(C)NCCCCCC#N 2230a_100000209981_100009813376 [0,1,0,0,0,0|2,0,1]=4 3808 B11R0.40 CCC(C)NCCCCCC=O 2230a_100000209981_100000139337 [0,1,0,0,0,0|2,0,1]=4 3809 B11R0.40 CCC(C)NCCCCCCF 2230a_100000209981_100015922095 [0,1,0,0,0,0|2,0,0]=3 3810 B11R0.40 CCC(C)NCCCCCCO 2230a_100000209981_100000766143 [0,1,0,0,0,0|2,0,0]=3 3811 B11R0.40 CCC(C)NCCCCCCO 2230a_100000686447_100000758301 [0,1,0,0,0,0|2,0,0]=3 3812 B11R0.40 CCC(C)NCCCCCCO 34a_100000686447_100011215416 [0,1,0,0,0,0|2,0,0]=3 3813 B11R0.40 CCC(C)NCCCCCOC 2230a_100000747528_100000758301 [0,1,0,0,0,0|2,0,0]=3 3814 B11R0.40 CCC(C)NCCCCCOC 34a_100000747528_100011215416 [0,1,0,0,0,0|2,0,0]=3 3815 B11R0.40 CCC(C)NCCOCCOC 2230a_100000209981_100000695917 [0,1,0,0,0,0|3,0,0]=4 3816 B11R0.40 CCC(C)NCCOCCOC 2230a_100000745349_100000758301 [0,1,0,0,0,0|3,0,0]=4 3817 B11R0.40 CCC(C)NCCOCCOC 34a_100000745349_100011215416 [0,1,0,0,0,0|3,0,0]=4 3818 B11R0.40 CCC(C)OCCCCCC#N 7a_100000210228_100009813376 [0,1,0,0,0,0|2,0,1]=4 3819 B11R0.40 CCC(C)OCCCCCC=O 7a_100000210228_100000139337 [0,1,0,0,0,0|2,0,1]=4 3820 B11R0.40 CCC(C)OCCCCCCBr 34a_100011215345_100011215416 [0,1,0,0,0,0|2,0,0]=3 3821 B11R0.40 CCC(C)OCCCCCCBr 7a_100011215345_100000758301 [0,1,0,0,0,0|2,0,0]=3 3822 B11R0.40 CCC(C)OCCCCCCCl 34a_100000766143_100011215416 [0,1,0,0,0,0|2,0,0]=3 3823 B11R0.40 CCC(C)OCCCCCCCl 7a_100000766143_100000758301 [0,1,0,0,0,0|2,0,0]=3 3824 B11R0.40 CCC(C)OCCCCCCF 34a_100000732779_100011215416 [0,1,0,0,0,0|2,0,0]=3 3825 B11R0.40 CCC(C)OCCCCCCF 7a_100000210228_100015922095 [0,1,0,0,0,0|2,0,0]=3 3826 B11R0.40 CCC(C)OCCCCCCF 7a_100000732779_100000758301 [0,1,0,0,0,0|2,0,0]=3 3827 B11R0.40 CCC(C)OCCCCCCN 34a_100000686447_100011215416 [0,1,0,0,0,0|2,0,0]=3 3828 B11R0.40 CCC(C)OCCCCCCO 7a_100000210228_100000766143 [0,1,0,0,0,0|2,0,0]=3 3829 B11R0.40 CCC(C)OCCCCCNC 34a_100000722520_100011215416 [0,1,0,0,0,0|2,0,0]=3 3830 B11R0.40 CCC(C)OCCOCCNC 34a_100000228057_100011215416 [0,1,0,0,0,0|3,0,0]=4 3831 B11R0.40 CCC(C)OCCOCCOC 34a_100011215163_100011215416 [0,1,0,0,0,0|3,0,0]=4 3832 B11R0.40 CCC(C)OCCOCCOC 7a_100000210228_100000695917 [0,1,0,0,0,0|3,0,0]=4 3833 B11R0.40 CCC(C)OCCOCCOC 7a_100011215163_100000758301 [0,1,0,0,0,0|3,0,0]=4 3834 B11R0.40 CCC(C)SCCCCCC#N 62a_100000758301_100009813376 [0,1,0,0,0,0|2,0,1]=4 3835 B11R0.40 CCC(C)SCCCCCC#N 62a_100009813376_100000758301 [0,1,0,0,0,0|2,0,1]=4 3836 B11R0.40 CCC(C)SCCCCCC=O 62a_100000139337_100000758301 [0,1,0,0,0,0|2,0,1]=4 3837 B11R0.40 CCC(C)SCCCCCC=O 62a_100000758301_100000139337 [0,1,0,0,0,0|2,0,1]=4 3838 B11R0.40 CCC(C)SCCCCCCF 62a_100000758301_100015922095 [0,1,0,0,0,0|2,0,0]=3 3839 B11R0.40 CCC(C)SCCCCCCF 62a_100015922095_100000758301 [0,1,0,0,0,0|2,0,0]=3 3840 B11R0.40 CCC(C)SCCCCCCO 62a_100000758301_100000766143 [0,1,0,0,0,0|2,0,0]=3 3841 B11R0.40 CCC(C)SCCCCCCO 62a_100000766143_100000758301 [0,1,0,0,0,0|2,0,0]=3 3842 B11R0.40 CCC(C)SCCOCCOC 62a_100000695917_100000758301 [0,1,0,0,0,0|3,0,0]=4 3843 B11R0.40 CCC(C)SCCOCCOC 62a_100000758301_100000695917 [0,1,0,0,0,0|3,0,0]=4 3844 B11R0.40 CCC(O)CNCCCCC#N 2230a_100011218483_100000211819 [0,1,0,0,0,0|1,0,1]=3 3845 B11R0.40 CCC(O)CNCCCCC=O 2230a_100011218483_100000139335 [0,1,0,0,0,0|1,0,1]=3 3846 B11R0.40 CCC(O)CNCCCCCF 2230a_100011218483_100000729378 [0,1,0,0,0,0|1,0,0]=2 3847 B11R0.40 CCC(O)CNCCCCCO 2230a_100000762737_100011218378 [0,1,0,0,0,0|1,0,0]=2 3848 B11R0.40 CCC(O)CNCCCCCO 2230a_100011218483_100000746330 [0,1,0,0,0,0|1,0,0]=2 3849 B11R0.40 CCC(O)CNCCCCCO 34a_100000762737_100011218378 [0,1,0,0,0,0|1,0,0]=2 3850 B11R0.40 CCC(O)CNCCCCOC 2230a_100011218483_100000730899 [0,1,0,0,0,0|1,0,0]=2 3851 B11R0.40 CCC(O)CNCCCN=[N+]=[N-] 2230a_100000744732_100011218378 [0,1,0,0,0,0|3,0,0]=4 3852 B11R0.40 CCC(O)CNCCOCC#N 2230a_100011218483_200000047693 [0,1,0,0,0,0|2,0,1]=4 3853 B11R0.40 CCC(O)CNCCOCCO 2230a_100000211614_100011218378 [0,1,0,0,0,0|2,0,0]=3 3854 B11R0.40 CCC(O)CNCCOCCO 2230a_100011218483_100011215305 [0,1,0,0,0,0|2,0,0]=3 3855 B11R0.40 CCC(O)CNCCOCCO 34a_100000211614_100011218378 [0,1,0,0,0,0|2,0,0]=3 3856 B11R0.40 CCC(O)CNCCSCCO 2230a_100011219999_100011218378 [0,1,0,0,0,0|2,0,0]=3 3857 B11R0.40 CCC(O)CNCOCCOC 2230a_100011218483_100000231047 [0,1,0,0,0,0|2,0,0]=3 3858 B11R0.40 CCC(O)CNN=CCCSC 4a_100015206393_100000210997 [0,1,0,0,0,0|2,0,1]=4 3859 B11R0.40 CCC(O)COCCCCCBr 34a_100000746331_100011218378 [0,1,0,0,0,0|1,0,0]=2 3860 B11R0.40 CCC(O)COCCCCCBr 7a_100000746331_100011218378 [0,1,0,0,0,0|1,0,0]=2 3861 B11R0.40 CCC(O)COCCCCCCl 34a_100000746330_100011218378 [0,1,0,0,0,0|1,0,0]=2 3862 B11R0.40 CCC(O)COCCCCCCl 7a_100000746330_100011218378 [0,1,0,0,0,0|1,0,0]=2 3863 B11R0.40 CCC(O)COCCCCCI 34a_200012148887_100011218378 [0,1,0,0,0,0|1,0,0]=2 3864 B11R0.40 CCC(O)COCCCCCI 7a_200012148887_100011218378 [0,1,0,0,0,0|1,0,0]=2 3865 B11R0.40 CCC(O)COCCCCCN 34a_100000762737_100011218378 [0,1,0,0,0,0|1,0,0]=2 3866 B11R0.40 CCC(O)COCCCCOC 34a_100000740925_100011218378 [0,1,0,0,0,0|1,0,0]=2 3867 B11R0.40 CCC(O)COCCCCSC 34a_100011217163_100011218378 [0,1,0,0,0,0|1,0,0]=2 3868 B11R0.40 CCC(O)COCCCCSC 7a_100011217163_100011218378 [0,1,0,0,0,0|1,0,0]=2 3869 B11R0.40 CCC(O)COCCOCCBr 34a_100000692535_100011218378 [0,1,0,0,0,0|2,0,0]=3 3870 B11R0.40 CCC(O)COCCOCCBr 7a_100000692535_100011218378 [0,1,0,0,0,0|2,0,0]=3 3871 B11R0.40 CCC(O)COCCOCCCl 34a_100011215305_100011218378 [0,1,0,0,0,0|2,0,0]=3 3872 B11R0.40 CCC(O)COCCOCCCl 7a_100011215305_100011218378 [0,1,0,0,0,0|2,0,0]=3 3873 B11R0.40 CCC(O)COCCOCCF 34a_200015357709_100011218378 [0,1,0,0,0,0|2,0,0]=3 3874 B11R0.40 CCC(O)COCCOCCF 7a_200015357709_100011218378 [0,1,0,0,0,0|2,0,0]=3 3875 B11R0.40 CCC(O)COCCOCCI 34a_100012149058_100011218378 [0,1,0,0,0,0|2,0,0]=3 3876 B11R0.40 CCC(O)COCCOCCI 7a_100012149058_100011218378 [0,1,0,0,0,0|2,0,0]=3 3877 B11R0.40 CCC(O)COCCOCCN 34a_100000211614_100011218378 [0,1,0,0,0,0|2,0,0]=3 3878 B11R0.40 CCC(O)CSCCCCC#N 62a_100011218378_100000211819 [0,1,0,0,0,0|1,0,1]=3 3879 B11R0.40 CCC(O)CSCCCCC#N 62a_100011219923_100011218378 [0,1,0,0,0,0|1,0,1]=3 3880 B11R0.40 CCC(O)CSCCCCC=O 62a_100000139335_100011218378 [0,1,0,0,0,0|1,0,1]=3 3881 B11R0.40 CCC(O)CSCCCCC=O 62a_100011218378_100000139335 [0,1,0,0,0,0|1,0,1]=3 3882 B11R0.40 CCC(O)CSCCCCCF 62a_100000729378_100011218378 [0,1,0,0,0,0|1,0,0]=2 3883 B11R0.40 CCC(O)CSCCCCCF 62a_100011218378_100000729378 [0,1,0,0,0,0|1,0,0]=2 3884 B11R0.40 CCC(O)CSCCCCCO 62a_100000746330_100011218378 [0,1,0,0,0,0|1,0,0]=2 3885 B11R0.40 CCC(O)CSCCCCCO 62a_100011218378_100000746330 [0,1,0,0,0,0|1,0,0]=2 3886 B11R0.40 CCC(O)CSCCCCOC 62a_100000730899_100011218378 [0,1,0,0,0,0|1,0,0]=2 3887 B11R0.40 CCC(O)CSCCCCOC 62a_100011218378_100000730899 [0,1,0,0,0,0|1,0,0]=2 3888 B11R0.40 CCC(O)CSCCOCC#N 62a_100011218378_200000047693 [0,1,0,0,0,0|2,0,1]=4 3889 B11R0.40 CCC(O)CSCCOCC#N 62a_200000047693_100011218378 [0,1,0,0,0,0|2,0,1]=4 3890 B11R0.40 CCC(O)CSCCOCCO 62a_100011215305_100011218378 [0,1,0,0,0,0|2,0,0]=3 3891 B11R0.40 CCC(O)CSCCOCCO 62a_100011218378_100011215305 [0,1,0,0,0,0|2,0,0]=3 3892 B11R0.40 CCC(O)CSCOCCOC 62a_100000231047_100011218378 [0,1,0,0,0,0|2,0,0]=3 3893 B11R0.40 CCC(O)CSCOCCOC 62a_100011218378_100000231047 [0,1,0,0,0,0|2,0,0]=3 3894 B11R0.40 CCC/C=C/COCC(C)CC 34a_100016278788_100000748023 [0,1,0,0,0,0|1,0,2]=4 3895 B11R0.40 CCC/C=C/COCC(C)CC 7a_100016278788_100000748023 [0,1,0,0,0,0|1,0,2]=4 3896 B11R0.40 CCC/C=C/COCC(O)CC 34a_100016278788_100011218378 [0,1,0,0,0,0|0,0,2]=3 3897 B11R0.40 CCC/C=C/COCC(O)CC 7a_100016278788_100011218378 [0,1,0,0,0,0|0,0,2]=3 3898 B11R0.40 CCC/C=C/COCC(O)CO 34a_100016278788_100011219619 [0,1,0,0,0,0|1,0,2]=4 3899 B11R0.40 CCC/C=C/COCC(O)CO 7a_100016278788_100011219619 [0,1,0,0,0,0|1,0,2]=4 3900 B11R0.40 CCC/C=C/COC[C@@H](C)CC 34a_100016278788_100009816398 [0,1,0,0,0,0|1,0,2]=4 3901 B11R0.40 CCC/C=C/COC[C@@H](C)CC 7a_100016278788_100009816398 [0,1,0,0,0,0|1,0,2]=4 3902 B11R0.40 CCC/C=C/COC[C@@H](O)CF 34a_100016278788_100015614560 [0,1,0,0,0,0|1,0,2]=4 3903 B11R0.40 CCC/C=C/COC[C@@H](O)CF 7a_100016278788_100015614560 [0,1,0,0,0,0|1,0,2]=4 3904 B11R0.40 CCC/C=C/COC[C@@H](O)CO 34a_100016278788_100009815848 [0,1,0,0,0,0|1,0,2]=4 3905 B11R0.40 CCC/C=C/COC[C@@H](O)CO 7a_100016278788_100009815848 [0,1,0,0,0,0|1,0,2]=4 3906 B11R0.40 CCCC#CCCOC(C)CC 34a_100000042726_100011215416 [0,1,0,0,0,0|1,0,2]=4 3907 B11R0.40 CCCC#CCCOC(C)CC 7a_100000042726_100000758301 [0,1,0,0,0,0|1,0,2]=4 3908 B11R0.40 CCCC#CCOCC(C)CC 34a_100000034806_100000748023 [0,1,0,0,0,0|1,0,2]=4 3909 B11R0.40 CCCC#CCOCC(C)CC 7a_100000034806_100000748023 [0,1,0,0,0,0|1,0,2]=4 3910 B11R0.40 CCCC#CCOCC(O)CC 34a_100000034806_100011218378 [0,1,0,0,0,0|0,0,2]=3 3911 B11R0.40 CCCC#CCOCC(O)CC 7a_100000034806_100011218378 [0,1,0,0,0,0|0,0,2]=3 3912 B11R0.40 CCCC#CCOCC(O)CO 34a_100000034806_100011219619 [0,1,0,0,0,0|1,0,2]=4 3913 B11R0.40 CCCC#CCOCC(O)CO 7a_100000034806_100011219619 [0,1,0,0,0,0|1,0,2]=4 3914 B11R0.40 CCCC#CCOC[C@@H](C)CC 34a_100000034806_100009816398 [0,1,0,0,0,0|1,0,2]=4 3915 B11R0.40 CCCC#CCOC[C@@H](C)CC 7a_100000034806_100009816398 [0,1,0,0,0,0|1,0,2]=4 3916 B11R0.40 CCCC#CCOC[C@@H](O)CF 34a_100000034806_100015614560 [0,1,0,0,0,0|1,0,2]=4 3917 B11R0.40 CCCC#CCOC[C@@H](O)CF 7a_100000034806_100015614560 [0,1,0,0,0,0|1,0,2]=4 3918 B11R0.40 CCCC#CCOC[C@@H](O)CO 34a_100000034806_100009815848 [0,1,0,0,0,0|1,0,2]=4 3919 B11R0.40 CCCC#CCOC[C@@H](O)CO 7a_100000034806_100009815848 [0,1,0,0,0,0|1,0,2]=4 3920 B11R0.40 CCCC/C=C/COC(C)CC 34a_200016272032_100011215416 [0,1,0,0,0,0|1,0,2]=4 3921 B11R0.40 CCCC/C=C/COC(C)CC 7a_200016272032_100000758301 [0,1,0,0,0,0|1,0,2]=4 3922 B11R0.40 CCCCC#CCOC(C)CC 34a_200000034558_100011215416 [0,1,0,0,0,0|1,0,2]=4 3923 B11R0.40 CCCCC#CCOC(C)CC 7a_200000034558_100000758301 [0,1,0,0,0,0|1,0,2]=4 3924 B11R0.40 CCCCC/C=C/CC(=O)CC 1458a_100020675968_100000210202 [0,1,0,0,0,0|0,0,3]=4 3925 B11R0.40 CCCCC=NNCC(O)CC 4a_100015206393_100000210104 [0,1,0,0,0,0|1,0,1]=3 3926 B11R0.40 CCCCCC#CCC(=O)CC 1458a_100000210414_100009816472 [0,1,0,0,0,0|0,0,3]=4 3927 B11R0.40 CCCCCC#CCN(C)CC 2230a_100000225621_100009816472 [0,1,0,0,0,0|2,0,1]=4 3928 B11R0.40 CCCCCC#CCN(C)CC 269982a_100000225621_100009816472 [0,1,0,0,0,0|2,0,1]=4 3929 B11R0.40 CCCCCC=NNC(C)CC 4a_100000718999_100000737632 [0,1,0,0,0,0|2,0,1]=4 3930 B11R0.40 CCCCCCC=CC(=O)CC 1458a_200015324643_100000210202 [0,1,0,0,0,0|0,0,3]=4 3931 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [0,1,0,0,0,0|0,0,2]=3 3932 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [0,1,0,0,0,0|0,0,2]=3 3933 B11R0.40 CCCCCCCCC(=O)CF 1458a_100000210188_100015361967 [0,1,0,0,0,0|1,0,2]=4 3934 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [0,1,0,0,0,0|1,0,2]=4 3935 B11R0.40 CCCCCCCCC(=O)NC 11a_106832991635_100000210188 [0,1,0,0,0,0|1,0,2]=4 3936 B11R0.40 CCCCCCCCC(=O)NC 1626a_100102657272_100000210188 [0,1,0,0,0,0|1,0,2]=4 3937 B11R0.40 CCCCCCCCC(=O)NC 240690a_100102657272_100000210188 [0,1,0,0,0,0|1,0,2]=4 3938 B11R0.40 CCCCCCCCC(=O)NC 527a_100102657272_100000210188 [0,1,0,0,0,0|1,0,2]=4 3939 B11R0.40 CCCCCCCCC(C)NC 270004a_106832991635_100011216694 [0,1,0,0,0,0|2,0,0]=3 3940 B11R0.40 CCCCCCCCC(C)OC 34a_100000210740_200000210301 [0,1,0,0,0,0|2,0,0]=3 3941 B11R0.40 CCCCCCCCC(C)OC 7a_100000210740_200000210301 [0,1,0,0,0,0|2,0,0]=3 3942 B11R0.40 CCCCCCCCC(C)O[13CH3] 34a_100000210740_200025704644 [0,1,0,0,0,0|2,0,0]=3 3943 B11R0.40 CCCCCCCCC(C)O[13CH3] 7a_100000210740_200025704644 [0,1,0,0,0,0|2,0,0]=3 3944 B11R0.40 CCCCCCCCN(C)CC 2230a_100000207567_100000210202 [0,1,0,0,0,0|2,0,0]=3 3945 B11R0.40 CCCCCCCCN(C)CC 2230a_100000225621_100000210759 [0,1,0,0,0,0|2,0,0]=3 3946 B11R0.40 CCCCCCCCN(C)CC 269982a_100000207567_100000204670 [0,1,0,0,0,0|2,0,0]=3 3947 B11R0.40 CCCCCCCCN(C)CC 269982a_100000225621_100000210759 [0,1,0,0,0,0|2,0,0]=3 3948 B11R0.40 CCCCCCCCN(C)CF 269982a_100000207567_100015361967 [0,1,0,0,0,0|3,0,0]=4 3949 B11R0.40 CCCCCCCNC(=O)CC 11a_100000229938_100000210414 [0,1,0,0,0,0|0,0,2]=3 3950 B11R0.40 CCCCCCCNC(=O)CC 1626a_100000229938_100000210414 [0,1,0,0,0,0|0,0,2]=3 3951 B11R0.40 CCCCCCCNC(=O)CC 240690a_100000229938_100000210414 [0,1,0,0,0,0|0,0,2]=3 3952 B11R0.40 CCCCCCCNC(=O)CC 527a_100000229938_100000210414 [0,1,0,0,0,0|0,0,2]=3 3953 B11R0.40 CCCCCCCNC(=O)CO 240690a_100000229938_100000210174 [0,1,0,0,0,0|1,0,2]=4 3954 B11R0.40 CCCCCCCNC(=O)CO 527a_100000229938_100000210174 [0,1,0,0,0,0|1,0,2]=4 3955 B11R0.40 CCCCCCCNC(=O)NC 2708a_100000229938_106832991635 [0,1,0,0,0,0|1,0,2]=4 3956 B11R0.40 CCCCCCCNC(=O)NC 2708a_100102657272_100000229938 [0,1,0,0,0,0|1,0,2]=4 3957 B11R0.40 CCCCCCCNC(=O)NC 273464a_100000229938_100102657272 [0,1,0,0,0,0|1,0,2]=4 3958 B11R0.40 CCCCCCCNC(=O)NC 273464a_100102657272_100000229938 [0,1,0,0,0,0|1,0,2]=4 3959 B11R0.40 CCCCCCCNC(=O)NC 512a_100000229938_100102657272 [0,1,0,0,0,0|1,0,2]=4 3960 B11R0.40 CCCCCCCNC(=O)NC 512a_106832991638_100000229938 [0,1,0,0,0,0|1,0,2]=4 3961 B11R0.40 CCCCCCCNC(C)C#N 2230a_100000229938_100000184139 [0,1,0,0,0,0|2,0,1]=4 3962 B11R0.40 CCCCCCCNC(C)C#N 2230a_100000737613_100000210681 [0,1,0,0,0,0|2,0,1]=4 3963 B11R0.40 CCCCCCCNC(C)CC 2230a_100000209981_100000210681 [0,1,0,0,0,0|1,0,0]=2 3964 B11R0.40 CCCCCCCNC(C)CC 2230a_100000229938_100000758301 [0,1,0,0,0,0|1,0,0]=2 3965 B11R0.40 CCCCCCCNC(C)CO 2230a_100000229938_100012180447 [0,1,0,0,0,0|2,0,0]=3 3966 B11R0.40 CCCCCCCN[C@H](C)CO 2230a_100000737577_100000210681 [0,1,0,0,0,0|2,0,0]=3 3967 B11R0.40 CCCCCCCOC(C)C#N 34a_100011218135_100000210614 [0,1,0,0,0,0|2,0,1]=4 3968 B11R0.40 CCCCCCCOC(C)C#N 7a_100000210272_100000703298 [0,1,0,0,0,0|2,0,1]=4 3969 B11R0.40 CCCCCCCOC(C)CC 34a_100000210272_100011215416 [0,1,0,0,0,0|1,0,0]=2 3970 B11R0.40 CCCCCCCOC(C)CC 7a_100000210228_100000210614 [0,1,0,0,0,0|1,0,0]=2 3971 B11R0.40 CCCCCCCOC(C)CC 7a_100000210272_100000758301 [0,1,0,0,0,0|1,0,0]=2 3972 B11R0.40 CCCCCCCOC(C)CF 34a_100016041109_100000210614 [0,1,0,0,0,0|2,0,0]=3 3973 B11R0.40 CCCCCCCOC(C)CF 7a_100016041109_100000210614 [0,1,0,0,0,0|2,0,0]=3 3974 B11R0.40 CCCCCCCOC(C)CN 34a_100000210904_100000210614 [0,1,0,0,0,0|2,0,0]=3 3975 B11R0.40 CCCCCCCOC(C)CO 34a_100000210272_100012180447 [0,1,0,0,0,0|2,0,0]=3 3976 B11R0.40 CCCCCCCOC(C)CO 7a_100000210272_100012180447 [0,1,0,0,0,0|2,0,0]=3 3977 B11R0.40 CCCCCCCSC(C)C#N 62a_100000210614_100000703298 [0,1,0,0,0,0|2,0,1]=4 3978 B11R0.40 CCCCCCCSC(C)C#N 62a_100000703298_100000210316 [0,1,0,0,0,0|2,0,1]=4 3979 B11R0.40 CCCCCCCSC(C)CC 62a_100000210614_100000758301 [0,1,0,0,0,0|1,0,0]=2 3980 B11R0.40 CCCCCCCSC(C)CC 62a_100000758301_100000210316 [0,1,0,0,0,0|1,0,0]=2 3981 B11R0.40 CCCCCCCSC(C)CO 62a_100012180447_100000210316 [0,1,0,0,0,0|2,0,0]=3 3982 B11R0.40 CCCCCCCSC(C)OC 62a_100000210614_100009879195 [0,1,0,0,0,0|2,0,0]=3 3983 B11R0.40 CCCCCCCSC(C)OC 62a_100009879195_100000210316 [0,1,0,0,0,0|2,0,0]=3 3984 B11R0.40 CCCCCCCSC(F)C#N 62a_100000210614_200000117898 [0,1,0,0,0,0|2,0,1]=4 3985 B11R0.40 CCCCCCCSC(F)C#N 62a_200000117898_100000210316 [0,1,0,0,0,0|2,0,1]=4 3986 B11R0.40 CCCCCCCS[C@H](C)CO 62a_100000210614_100016084084 [0,1,0,0,0,0|2,0,0]=3 3987 B11R0.40 CCCCCCCS[C@H](C)CO 62a_100016084084_100000210316 [0,1,0,0,0,0|2,0,0]=3 3988 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000210581_100000183359 [0,1,0,0,0,0|1,0,2]=4 3989 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000693194_100000210314 [0,1,0,0,0,0|1,0,2]=4 3990 B11R0.40 CCCCCCNCC(=O)OC 2230a_100000210581_100000747449 [0,1,0,0,0,0|1,0,2]=4 3991 B11R0.40 CCCCCCNCC(C)CC 2230a_100000210581_100000748023 [0,1,0,0,0,0|1,0,0]=2 3992 B11R0.40 CCCCCCNCC(C)CC 2230a_100020588543_100000210314 [0,1,0,0,0,0|1,0,0]=2 3993 B11R0.40 CCCCCCNCC(C)CC 270004a_100000210581_100000243153 [0,1,0,0,0,0|1,0,0]=2 3994 B11R0.40 CCCCCCNCC(C)CO 34a_100000744482_100000210314 [0,1,0,0,0,0|2,0,0]=3 3995 B11R0.40 CCCCCCNCC(O)CC 2230a_100000210581_100011218378 [0,1,0,0,0,0|0,0,0]=1 3996 B11R0.40 CCCCCCNCC(O)CC 2230a_100011218483_100000210314 [0,1,0,0,0,0|0,0,0]=1 3997 B11R0.40 CCCCCCNCC(O)CO 2230a_100000210581_100011219619 [0,1,0,0,0,0|1,0,0]=2 3998 B11R0.40 CCCCCCNC[C@@H](C)CC 2230a_100000210581_100009816398 [0,1,0,0,0,0|1,0,0]=2 3999 B11R0.40 CCCCCCNC[C@@H](C)CO 2230a_100000210581_100000059175 [0,1,0,0,0,0|2,0,0]=3 4000 B11R0.40 CCCCCCNC[C@@H](C)OC 2230a_100020591295_100000210314 [0,1,0,0,0,0|2,0,0]=3 4001 B11R0.40 CCCCCCNC[C@@H](F)CO 34a_100015665980_100000210314 [0,1,0,0,0,0|2,0,0]=3 4002 B11R0.40 CCCCCCNC[C@@H](O)CF 2230a_100000210581_100015614560 [0,1,0,0,0,0|1,0,0]=2 4003 B11R0.40 CCCCCCNC[C@@H](O)CO 2230a_100000210581_100009815848 [0,1,0,0,0,0|1,0,0]=2 4004 B11R0.40 CCCCCCNC[C@H](O)CO 2230a_100020644852_100000210314 [0,1,0,0,0,0|1,0,0]=2 4005 B11R0.40 CCCCCCOCC(=O)CC 34a_100000725409_100000210314 [0,1,0,0,0,0|0,0,2]=3 4006 B11R0.40 CCCCCCOCC(=O)CC 7a_100000210259_100000747405 [0,1,0,0,0,0|0,0,2]=3 4007 B11R0.40 CCCCCCOCC(=O)NC 34a_100000210259_100000183359 [0,1,0,0,0,0|1,0,2]=4 4008 B11R0.40 CCCCCCOCC(=O)NC 34a_100000750040_100000210314 [0,1,0,0,0,0|1,0,2]=4 4009 B11R0.40 CCCCCCOCC(=O)NC 7a_100000210259_100000183359 [0,1,0,0,0,0|1,0,2]=4 4010 B11R0.40 CCCCCCOCC(=O)OC 34a_100000210259_100000747449 [0,1,0,0,0,0|1,0,2]=4 4011 B11R0.40 CCCCCCOCC(=O)OC 7a_100000210259_100000747449 [0,1,0,0,0,0|1,0,2]=4 4012 B11R0.40 CCCCCCOCC(C)CC 34a_100000210259_100000748023 [0,1,0,0,0,0|1,0,0]=2 4013 B11R0.40 CCCCCCOCC(C)CC 7a_100000210259_100000748023 [0,1,0,0,0,0|1,0,0]=2 4014 B11R0.40 CCCCCCOCC(C)CN 34a_100000744482_100000210314 [0,1,0,0,0,0|2,0,0]=3 4015 B11R0.40 CCCCCCOCC(C)OC 34a_100000690652_100000210314 [0,1,0,0,0,0|2,0,0]=3 4016 B11R0.40 CCCCCCOCC(Cl)CCl 34a_100000033668_100000210314 [0,1,0,0,0,0|2,0,0]=3 4017 B11R0.40 CCCCCCOCC(O)CC 34a_100000210259_100011218378 [0,1,0,0,0,0|0,0,0]=1 4018 B11R0.40 CCCCCCOCC(O)CC 7a_100000210259_100011218378 [0,1,0,0,0,0|0,0,0]=1 4019 B11R0.40 CCCCCCOCC(O)CO 34a_100000210259_100011219619 [0,1,0,0,0,0|1,0,0]=2 4020 B11R0.40 CCCCCCOCC(O)CO 7a_100000210259_100011219619 [0,1,0,0,0,0|1,0,0]=2 4021 B11R0.40 CCCCCCOC[C@@H](C)CC 34a_100000210259_100009816398 [0,1,0,0,0,0|1,0,0]=2 4022 B11R0.40 CCCCCCOC[C@@H](C)CC 7a_100000210259_100009816398 [0,1,0,0,0,0|1,0,0]=2 4023 B11R0.40 CCCCCCOC[C@@H](C)CC 7a_100009816381_100000210314 [0,1,0,0,0,0|1,0,0]=2 4024 B11R0.40 CCCCCCOC[C@@H](C)CO 34a_100000210259_100000059175 [0,1,0,0,0,0|2,0,0]=3 4025 B11R0.40 CCCCCCOC[C@@H](C)CO 7a_100000210259_100000059175 [0,1,0,0,0,0|2,0,0]=3 4026 B11R0.40 CCCCCCOC[C@@H](O)CF 34a_100000210259_100015614560 [0,1,0,0,0,0|1,0,0]=2 4027 B11R0.40 CCCCCCOC[C@@H](O)CF 7a_100000210259_100015614560 [0,1,0,0,0,0|1,0,0]=2 4028 B11R0.40 CCCCCCOC[C@@H](O)CO 34a_100000210259_100009815848 [0,1,0,0,0,0|1,0,0]=2 4029 B11R0.40 CCCCCCOC[C@@H](O)CO 7a_100000210259_100009815848 [0,1,0,0,0,0|1,0,0]=2 4030 B11R0.40 CCCCCCOC[C@H](F)CN 34a_100015665980_100000210314 [0,1,0,0,0,0|2,0,0]=3 4031 B11R0.40 CCCCCCSCC(=O)CC 62a_100000210314_100000747405 [0,1,0,0,0,0|0,0,2]=3 4032 B11R0.40 CCCCCCSCC(=O)CC 62a_100000747405_100000210757 [0,1,0,0,0,0|0,0,2]=3 4033 B11R0.40 CCCCCCSCC(=O)NC 62a_100000183359_100000210757 [0,1,0,0,0,0|1,0,2]=4 4034 B11R0.40 CCCCCCSCC(=O)NC 62a_100000210314_100000183359 [0,1,0,0,0,0|1,0,2]=4 4035 B11R0.40 CCCCCCSCC(=O)OC 62a_100000210314_100000747449 [0,1,0,0,0,0|1,0,2]=4 4036 B11R0.40 CCCCCCSCC(=O)OC 62a_100000747449_100000210757 [0,1,0,0,0,0|1,0,2]=4 4037 B11R0.40 CCCCCCSCC(C)CC 62a_100000210314_100000748023 [0,1,0,0,0,0|1,0,0]=2 4038 B11R0.40 CCCCCCSCC(C)CC 62a_100000748023_100000210757 [0,1,0,0,0,0|1,0,0]=2 4039 B11R0.40 CCCCCCSCC(O)CC 62a_100000210314_100011218378 [0,1,0,0,0,0|0,0,0]=1 4040 B11R0.40 CCCCCCSCC(O)CC 62a_100011218378_100000210757 [0,1,0,0,0,0|0,0,0]=1 4041 B11R0.40 CCCCCCSCC(O)CO 62a_100000210314_100011219619 [0,1,0,0,0,0|1,0,0]=2 4042 B11R0.40 CCCCCCSCC(O)CO 62a_100011219619_100000210757 [0,1,0,0,0,0|1,0,0]=2 4043 B11R0.40 CCCCCCSC[C@@H](C)CC 62a_100000210314_100009816398 [0,1,0,0,0,0|1,0,0]=2 4044 B11R0.40 CCCCCCSC[C@@H](C)CC 62a_100009816398_100000210757 [0,1,0,0,0,0|1,0,0]=2 4045 B11R0.40 CCCCCCSC[C@@H](C)CO 62a_100000059175_100000210757 [0,1,0,0,0,0|2,0,0]=3 4046 B11R0.40 CCCCCCSC[C@@H](C)CO 62a_100000210314_100000059175 [0,1,0,0,0,0|2,0,0]=3 4047 B11R0.40 CCCCCCSC[C@@H](O)CF 62a_100000210314_100015614560 [0,1,0,0,0,0|1,0,0]=2 4048 B11R0.40 CCCCCCSC[C@@H](O)CF 62a_100015614560_100000210757 [0,1,0,0,0,0|1,0,0]=2 4049 B11R0.40 CCCCCCSC[C@@H](O)CO 62a_100000210314_100009815848 [0,1,0,0,0,0|1,0,0]=2 4050 B11R0.40 CCCCCCSC[C@@H](O)CO 62a_100009815848_100000210757 [0,1,0,0,0,0|1,0,0]=2 4051 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000209983_100000737683 [0,1,0,0,0,0|1,0,2]=4 4052 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000738227_100000210326 [0,1,0,0,0,0|1,0,2]=4 4053 B11R0.40 CCCCCNCCC(=O)NC 34a_100000738227_100000718602 [0,1,0,0,0,0|1,0,2]=4 4054 B11R0.40 CCCCCNCCC(=O)OC 2230a_100000209983_100000204255 [0,1,0,0,0,0|1,0,2]=4 4055 B11R0.40 CCCCCNCCC(C)CC 2230a_100020591266_100000210326 [0,1,0,0,0,0|1,0,0]=2 4056 B11R0.40 CCCCCNCCC(C)CO 2230a_106354213184_100000210326 [0,1,0,0,0,0|2,0,0]=3 4057 B11R0.40 CCCCCNCCC(C)CO 34a_106354213184_100000718602 [0,1,0,0,0,0|2,0,0]=3 4058 B11R0.40 CCCCCNN=CC(C)CC 4a_100000694160_100000243153 [0,1,0,0,0,0|2,0,1]=4 4059 B11R0.40 CCCCCNN=CC(O)CO 4a_100000694160_100000033539 [0,1,0,0,0,0|2,0,1]=4 4060 B11R0.40 CCCCCOCCC(=O)NC 34a_100000210253_100012179268 [0,1,0,0,0,0|1,0,2]=4 4061 B11R0.40 CCCCCOCCC(=O)NC 34a_100000754576_100000718602 [0,1,0,0,0,0|1,0,2]=4 4062 B11R0.40 CCCCCOCCC(=O)NC 7a_100000210253_100000737683 [0,1,0,0,0,0|1,0,2]=4 4063 B11R0.40 CCCCCOCCC(=O)OC 34a_100000210253_100000742370 [0,1,0,0,0,0|1,0,2]=4 4064 B11R0.40 CCCCCOCCC(=O)OC 7a_100000210253_100000204255 [0,1,0,0,0,0|1,0,2]=4 4065 B11R0.40 CCCCCOCCC(C)CC 7a_100011215188_100000210326 [0,1,0,0,0,0|1,0,0]=2 4066 B11R0.40 CCCCCOCCC(C)OC 7a_100000764861_100000210326 [0,1,0,0,0,0|2,0,0]=3 4067 B11R0.40 CCCCCSCCC(=O)NC 62a_100000210326_100000737683 [0,1,0,0,0,0|1,0,2]=4 4068 B11R0.40 CCCCCSCCC(=O)NC 62a_100000737683_100000210326 [0,1,0,0,0,0|1,0,2]=4 4069 B11R0.40 CCCCCSCCC(=O)OC 62a_100000204255_100000210326 [0,1,0,0,0,0|1,0,2]=4 4070 B11R0.40 CCCCCSCCC(=O)OC 62a_100000210326_100000204255 [0,1,0,0,0,0|1,0,2]=4 4071 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000102301_100000741757 [0,1,0,0,0,0|1,0,2]=4 4072 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000740002_100000210211 [0,1,0,0,0,0|1,0,2]=4 4073 B11R0.40 CCCCNCCCC(=O)NC 34a_100000740002_100000210210 [0,1,0,0,0,0|1,0,2]=4 4074 B11R0.40 CCCCNCCCC(=O)NC 7a_106832991798_100000741757 [0,1,0,0,0,0|1,0,2]=4 4075 B11R0.40 CCCCNCCCC(=O)OC 2230a_100000102301_100011218270 [0,1,0,0,0,0|1,0,2]=4 4076 B11R0.40 CCCCNCCCC(=O)OC 7a_106832991798_100011218270 [0,1,0,0,0,0|1,0,2]=4 4077 B11R0.40 CCCCNCCCN(C)CC 2230a_100000102301_100015186262 [0,1,0,0,0,0|2,0,0]=3 4078 B11R0.40 CCCCNCCCN(C)CC 7a_106832991798_100015186262 [0,1,0,0,0,0|2,0,0]=3 4079 B11R0.40 CCCCNCCNC(=O)CC 34a_100132302217_100000210210 [0,1,0,0,0,0|1,0,2]=4 4080 B11R0.40 CCCCOCCCC(=O)NC 34a_100000210227_100000741757 [0,1,0,0,0,0|1,0,2]=4 4081 B11R0.40 CCCCOCCCC(=O)NC 7a_100000210227_100000741757 [0,1,0,0,0,0|1,0,2]=4 4082 B11R0.40 CCCCOCCCC(=O)OC 34a_100000210227_100000742333 [0,1,0,0,0,0|1,0,2]=4 4083 B11R0.40 CCCCOCCCC(=O)OC 7a_100000210227_100011218270 [0,1,0,0,0,0|1,0,2]=4 4084 B11R0.40 CCCCOCCCC(C)CC 7a_100011216074_100000210211 [0,1,0,0,0,0|1,0,0]=2 4085 B11R0.40 CCCCOCCCN(C)CC 7a_100000210227_100015186262 [0,1,0,0,0,0|2,0,0]=3 4086 B11R0.40 CCCCOCCC[C@@H](C)CN 34a_100160569302_100000210210 [0,1,0,0,0,0|2,0,0]=3 4087 B11R0.40 CCCCOCCNC(=O)CC 34a_200000158885_100000210210 [0,1,0,0,0,0|1,0,2]=4 4088 B11R0.40 CCCCOCCNC(=O)CC 7a_200000158885_100000210211 [0,1,0,0,0,0|1,0,2]=4 4089 B11R0.40 CCCCOCCNC(C)CC 2230a_100000209981_100000743108 [0,1,0,0,0,0|2,0,0]=3 4090 B11R0.40 CCCCOCCN[C@H](C)CO 2230a_100000737577_100000743108 [0,1,0,0,0,0|3,0,0]=4 4091 B11R0.40 CCCCOCCOC(=O)CC 7a_200000031056_100000210211 [0,1,0,0,0,0|1,0,2]=4 4092 B11R0.40 CCCCOCCOC(C)CC 34a_100000210238_100011215416 [0,1,0,0,0,0|2,0,0]=3 4093 B11R0.40 CCCCOCCOC(C)CC 7a_100000210228_100000743108 [0,1,0,0,0,0|2,0,0]=3 4094 B11R0.40 CCCCOCCOC(C)CC 7a_100000210238_100000758301 [0,1,0,0,0,0|2,0,0]=3 4095 B11R0.40 CCCCOCCOC(C)CF 34a_100016041109_100000743108 [0,1,0,0,0,0|3,0,0]=4 4096 B11R0.40 CCCCOCCOC(C)CF 7a_100016041109_100000743108 [0,1,0,0,0,0|3,0,0]=4 4097 B11R0.40 CCCCOCCOC(C)CN 34a_100000210904_100000743108 [0,1,0,0,0,0|3,0,0]=4 4098 B11R0.40 CCCCOCCOC(C)CO 34a_100000210238_100012180447 [0,1,0,0,0,0|3,0,0]=4 4099 B11R0.40 CCCCOCCOC(C)CO 7a_100000210238_100012180447 [0,1,0,0,0,0|3,0,0]=4 4100 B11R0.40 CCCCOCCSC(C)CC 62a_100000743108_100000758301 [0,1,0,0,0,0|2,0,0]=3 4101 B11R0.40 CCCCOCCSC(C)CC 62a_100000758301_100000743108 [0,1,0,0,0,0|2,0,0]=3 4102 B11R0.40 CCCCOCCSC(C)CO 62a_100012180447_100000743108 [0,1,0,0,0,0|3,0,0]=4 4103 B11R0.40 CCCCOCCSC(C)OC 62a_100000743108_100009879195 [0,1,0,0,0,0|3,0,0]=4 4104 B11R0.40 CCCCOCCSC(C)OC 62a_100009879195_100000743108 [0,1,0,0,0,0|3,0,0]=4 4105 B11R0.40 CCCCOCCS[C@H](C)CO 62a_100000743108_100016084084 [0,1,0,0,0,0|3,0,0]=4 4106 B11R0.40 CCCCOCCS[C@H](C)CO 62a_100016084084_100000743108 [0,1,0,0,0,0|3,0,0]=4 4107 B11R0.40 CCCCOCNCC(C)CC 2230a_100020588543_100011995733 [0,1,0,0,0,0|2,0,0]=3 4108 B11R0.40 CCCCOCNCC(C)CO 34a_100000744482_100011995733 [0,1,0,0,0,0|3,0,0]=4 4109 B11R0.40 CCCCOCNCC(O)CC 2230a_100011218483_100011995733 [0,1,0,0,0,0|1,0,0]=2 4110 B11R0.40 CCCCOCNC[C@@H](C)OC 2230a_100020591295_100011995733 [0,1,0,0,0,0|3,0,0]=4 4111 B11R0.40 CCCCOCNC[C@@H](F)CO 34a_100015665980_100011995733 [0,1,0,0,0,0|3,0,0]=4 4112 B11R0.40 CCCCOCNC[C@H](O)CO 2230a_100020644852_100011995733 [0,1,0,0,0,0|2,0,0]=3 4113 B11R0.40 CCCCOCOCC(=O)CC 34a_100000725409_100011995733 [0,1,0,0,0,0|1,0,2]=4 4114 B11R0.40 CCCCOCOCC(C)CN 34a_100000744482_100011995733 [0,1,0,0,0,0|3,0,0]=4 4115 B11R0.40 CCCCOCOCC(C)OC 34a_100000690652_100011995733 [0,1,0,0,0,0|3,0,0]=4 4116 B11R0.40 CCCCOCOCC(Cl)CCl 34a_100000033668_100011995733 [0,1,0,0,0,0|3,0,0]=4 4117 B11R0.40 CCCCOCOC[C@H](F)CN 34a_100015665980_100011995733 [0,1,0,0,0,0|3,0,0]=4 4118 B11R0.40 CCCCOCSCC(=O)CC 62a_100000747405_100011995733 [0,1,0,0,0,0|1,0,2]=4 4119 B11R0.40 CCCCOCSCC(=O)CC 62a_100011995733_100000747405 [0,1,0,0,0,0|1,0,2]=4 4120 B11R0.40 CCCCOCSCC(C)CC 62a_100000748023_100011995733 [0,1,0,0,0,0|2,0,0]=3 4121 B11R0.40 CCCCOCSCC(C)CC 62a_100011995733_100000748023 [0,1,0,0,0,0|2,0,0]=3 4122 B11R0.40 CCCCOCSCC(O)CC 62a_100011218378_100011995733 [0,1,0,0,0,0|1,0,0]=2 4123 B11R0.40 CCCCOCSCC(O)CC 62a_100011995733_100011218378 [0,1,0,0,0,0|1,0,0]=2 4124 B11R0.40 CCCCOCSCC(O)CO 62a_100011219619_100011995733 [0,1,0,0,0,0|2,0,0]=3 4125 B11R0.40 CCCCOCSCC(O)CO 62a_100011995733_100011219619 [0,1,0,0,0,0|2,0,0]=3 4126 B11R0.40 CCCCOCSC[C@@H](C)CC 62a_100009816398_100011995733 [0,1,0,0,0,0|2,0,0]=3 4127 B11R0.40 CCCCOCSC[C@@H](C)CC 62a_100011995733_100009816398 [0,1,0,0,0,0|2,0,0]=3 4128 B11R0.40 CCCCOCSC[C@@H](C)CO 62a_100000059175_100011995733 [0,1,0,0,0,0|3,0,0]=4 4129 B11R0.40 CCCCOCSC[C@@H](C)CO 62a_100011995733_100000059175 [0,1,0,0,0,0|3,0,0]=4 4130 B11R0.40 CCCCOCSC[C@@H](O)CF 62a_100011995733_100015614560 [0,1,0,0,0,0|2,0,0]=3 4131 B11R0.40 CCCCOCSC[C@@H](O)CF 62a_100015614560_100011995733 [0,1,0,0,0,0|2,0,0]=3 4132 B11R0.40 CCCCOCSC[C@@H](O)CO 62a_100009815848_100011995733 [0,1,0,0,0,0|2,0,0]=3 4133 B11R0.40 CCCCOCSC[C@@H](O)CO 62a_100011995733_100009815848 [0,1,0,0,0,0|2,0,0]=3 4134 B11R0.40 CCCCSCCCC(=O)NC 62a_100000210211_100000741757 [0,1,0,0,0,0|1,0,2]=4 4135 B11R0.40 CCCCSCCCC(=O)NC 62a_100000741757_100000210210 [0,1,0,0,0,0|1,0,2]=4 4136 B11R0.40 CCCCSCCCC(=O)OC 62a_100000210211_100011218270 [0,1,0,0,0,0|1,0,2]=4 4137 B11R0.40 CCCCSCCCC(=O)OC 62a_100011218270_100000210210 [0,1,0,0,0,0|1,0,2]=4 4138 B11R0.40 CCCCSCCCN(C)CC 62a_100000210211_100015186262 [0,1,0,0,0,0|2,0,0]=3 4139 B11R0.40 CCCCSCCNC(=O)CC 11a_100025743550_100000210414 [0,1,0,0,0,0|1,0,2]=4 4140 B11R0.40 CCCCSCCNC(=O)CC 1626a_100025743550_100000210414 [0,1,0,0,0,0|1,0,2]=4 4141 B11R0.40 CCCCSCCNC(=O)CC 240690a_100025743550_100000210414 [0,1,0,0,0,0|1,0,2]=4 4142 B11R0.40 CCCCSCCNC(=O)CC 527a_100025743550_100000210414 [0,1,0,0,0,0|1,0,2]=4 4143 B11R0.40 CCCCSCCNC(C)CC 2230a_100025743550_100000758301 [0,1,0,0,0,0|2,0,0]=3 4144 B11R0.40 CCCCSCCNC(C)CO 2230a_100025743550_100012180447 [0,1,0,0,0,0|3,0,0]=4 4145 B11R0.40 CCCCSCCOC(C)CC 34a_200000230436_100011215416 [0,1,0,0,0,0|2,0,0]=3 4146 B11R0.40 CCCCSCCOC(C)CC 7a_200000230436_100000758301 [0,1,0,0,0,0|2,0,0]=3 4147 B11R0.40 CCCCSCCOC(C)CO 34a_200000230436_100012180447 [0,1,0,0,0,0|3,0,0]=4 4148 B11R0.40 CCCCSCCOC(C)CO 7a_200000230436_100012180447 [0,1,0,0,0,0|3,0,0]=4 4149 B11R0.40 CCCOCCCCC(=O)OC 34a_100000059025_100000210303 [0,1,0,0,0,0|1,0,2]=4 4150 B11R0.40 CCCOCCCCC(=O)OC 34a_100000210258_100000204269 [0,1,0,0,0,0|1,0,2]=4 4151 B11R0.40 CCCOCCCCC(=O)OC 7a_100000059025_100000210303 [0,1,0,0,0,0|1,0,2]=4 4152 B11R0.40 CCCOCCCNC(=O)CC 1626a_100011217757_100000210414 [0,1,0,0,0,0|1,0,2]=4 4153 B11R0.40 CCCOCCCNC(=O)CC 240690a_100011217757_100000210414 [0,1,0,0,0,0|1,0,2]=4 4154 B11R0.40 CCCOCCCNC(=O)CC 527a_100011217757_100000210414 [0,1,0,0,0,0|1,0,2]=4 4155 B11R0.40 CCCOCCCNC(C)CC 2230a_100011217757_100000758301 [0,1,0,0,0,0|2,0,0]=3 4156 B11R0.40 CCCOCCCNC(C)CC 34a_100011217757_100011215416 [0,1,0,0,0,0|2,0,0]=3 4157 B11R0.40 CCCOCCCNC(C)CO 2230a_100011217757_100012180447 [0,1,0,0,0,0|3,0,0]=4 4158 B11R0.40 CCCOCCCNC(C)CO 34a_100011217757_100012180447 [0,1,0,0,0,0|3,0,0]=4 4159 B11R0.40 CCCOCCNCC(C)CC 2230a_100020588543_100011215938 [0,1,0,0,0,0|2,0,0]=3 4160 B11R0.40 CCCOCCNCC(C)CC 2230a_100161115042_100000748023 [0,1,0,0,0,0|2,0,0]=3 4161 B11R0.40 CCCOCCNCC(C)CC 270004a_100161115042_100000243153 [0,1,0,0,0,0|2,0,0]=3 4162 B11R0.40 CCCOCCNCC(C)CC 34a_100161115042_100000748023 [0,1,0,0,0,0|2,0,0]=3 4163 B11R0.40 CCCOCCNCC(C)CO 34a_100000744482_100011215938 [0,1,0,0,0,0|3,0,0]=4 4164 B11R0.40 CCCOCCNCC(O)CC 2230a_100011218483_100011215938 [0,1,0,0,0,0|1,0,0]=2 4165 B11R0.40 CCCOCCNCC(O)CC 2230a_100161115042_100011218378 [0,1,0,0,0,0|1,0,0]=2 4166 B11R0.40 CCCOCCNCC(O)CC 34a_100161115042_100011218378 [0,1,0,0,0,0|1,0,0]=2 4167 B11R0.40 CCCOCCNCC(O)CO 2230a_100161115042_100011219619 [0,1,0,0,0,0|2,0,0]=3 4168 B11R0.40 CCCOCCNCC(O)CO 34a_100161115042_100011219619 [0,1,0,0,0,0|2,0,0]=3 4169 B11R0.40 CCCOCCNC[C@@H](C)CC 2230a_100161115042_100009816398 [0,1,0,0,0,0|2,0,0]=3 4170 B11R0.40 CCCOCCNC[C@@H](C)CC 34a_100161115042_100009816398 [0,1,0,0,0,0|2,0,0]=3 4171 B11R0.40 CCCOCCNC[C@@H](C)CO 2230a_100161115042_100000059175 [0,1,0,0,0,0|3,0,0]=4 4172 B11R0.40 CCCOCCNC[C@@H](C)CO 34a_100161115042_100000059175 [0,1,0,0,0,0|3,0,0]=4 4173 B11R0.40 CCCOCCNC[C@@H](C)OC 2230a_100020591295_100011215938 [0,1,0,0,0,0|3,0,0]=4 4174 B11R0.40 CCCOCCNC[C@@H](F)CO 34a_100015665980_100011215938 [0,1,0,0,0,0|3,0,0]=4 4175 B11R0.40 CCCOCCNC[C@@H](O)CF 2230a_100161115042_100015614560 [0,1,0,0,0,0|2,0,0]=3 4176 B11R0.40 CCCOCCNC[C@@H](O)CF 34a_100161115042_100015614560 [0,1,0,0,0,0|2,0,0]=3 4177 B11R0.40 CCCOCCNC[C@@H](O)CO 2230a_100161115042_100009815848 [0,1,0,0,0,0|2,0,0]=3 4178 B11R0.40 CCCOCCNC[C@@H](O)CO 34a_100161115042_100009815848 [0,1,0,0,0,0|2,0,0]=3 4179 B11R0.40 CCCOCCNC[C@H](O)CO 2230a_100020644852_100011215938 [0,1,0,0,0,0|2,0,0]=3 4180 B11R0.40 CCCOCCOCC(=O)CC 34a_100000725409_100011215938 [0,1,0,0,0,0|1,0,2]=4 4181 B11R0.40 CCCOCCOCC(=O)CC 7a_100000752267_100000747405 [0,1,0,0,0,0|1,0,2]=4 4182 B11R0.40 CCCOCCOCC(C)CC 34a_100000752267_100000748023 [0,1,0,0,0,0|2,0,0]=3 4183 B11R0.40 CCCOCCOCC(C)CC 7a_100000752267_100000748023 [0,1,0,0,0,0|2,0,0]=3 4184 B11R0.40 CCCOCCOCC(C)CN 34a_100000744482_100011215938 [0,1,0,0,0,0|3,0,0]=4 4185 B11R0.40 CCCOCCOCC(C)OC 34a_100000690652_100011215938 [0,1,0,0,0,0|3,0,0]=4 4186 B11R0.40 CCCOCCOCC(Cl)CCl 34a_100000033668_100011215938 [0,1,0,0,0,0|3,0,0]=4 4187 B11R0.40 CCCOCCOCC(O)CC 34a_100000752267_100011218378 [0,1,0,0,0,0|1,0,0]=2 4188 B11R0.40 CCCOCCOCC(O)CC 7a_100000752267_100011218378 [0,1,0,0,0,0|1,0,0]=2 4189 B11R0.40 CCCOCCOCC(O)CO 34a_100000752267_100011219619 [0,1,0,0,0,0|2,0,0]=3 4190 B11R0.40 CCCOCCOCC(O)CO 7a_100000752267_100011219619 [0,1,0,0,0,0|2,0,0]=3 4191 B11R0.40 CCCOCCOC[C@@H](C)CC 34a_100000752267_100009816398 [0,1,0,0,0,0|2,0,0]=3 4192 B11R0.40 CCCOCCOC[C@@H](C)CC 7a_100000752267_100009816398 [0,1,0,0,0,0|2,0,0]=3 4193 B11R0.40 CCCOCCOC[C@@H](C)CC 7a_100009816381_100011215938 [0,1,0,0,0,0|2,0,0]=3 4194 B11R0.40 CCCOCCOC[C@@H](C)CO 34a_100000752267_100000059175 [0,1,0,0,0,0|3,0,0]=4 4195 B11R0.40 CCCOCCOC[C@@H](C)CO 7a_100000752267_100000059175 [0,1,0,0,0,0|3,0,0]=4 4196 B11R0.40 CCCOCCOC[C@@H](O)CF 34a_100000752267_100015614560 [0,1,0,0,0,0|2,0,0]=3 4197 B11R0.40 CCCOCCOC[C@@H](O)CF 7a_100000752267_100015614560 [0,1,0,0,0,0|2,0,0]=3 4198 B11R0.40 CCCOCCOC[C@@H](O)CO 34a_100000752267_100009815848 [0,1,0,0,0,0|2,0,0]=3 4199 B11R0.40 CCCOCCOC[C@@H](O)CO 7a_100000752267_100009815848 [0,1,0,0,0,0|2,0,0]=3 4200 B11R0.40 CCCOCCOC[C@H](F)CN 34a_100015665980_100011215938 [0,1,0,0,0,0|3,0,0]=4 4201 B11R0.40 CCCOCCSCC(=O)CC 62a_100000747405_100011215938 [0,1,0,0,0,0|1,0,2]=4 4202 B11R0.40 CCCOCCSCC(=O)CC 62a_100011215938_100000747405 [0,1,0,0,0,0|1,0,2]=4 4203 B11R0.40 CCCOCCSCC(C)CC 62a_100000748023_100011215938 [0,1,0,0,0,0|2,0,0]=3 4204 B11R0.40 CCCOCCSCC(C)CC 62a_100011215938_100000748023 [0,1,0,0,0,0|2,0,0]=3 4205 B11R0.40 CCCOCCSCC(O)CC 62a_100011215938_100011218378 [0,1,0,0,0,0|1,0,0]=2 4206 B11R0.40 CCCOCCSCC(O)CC 62a_100011218378_100011215938 [0,1,0,0,0,0|1,0,0]=2 4207 B11R0.40 CCCOCCSCC(O)CO 62a_100011215938_100011219619 [0,1,0,0,0,0|2,0,0]=3 4208 B11R0.40 CCCOCCSCC(O)CO 62a_100011219619_100011215938 [0,1,0,0,0,0|2,0,0]=3 4209 B11R0.40 CCCOCCSC[C@@H](C)CC 62a_100009816398_100011215938 [0,1,0,0,0,0|2,0,0]=3 4210 B11R0.40 CCCOCCSC[C@@H](C)CC 62a_100011215938_100009816398 [0,1,0,0,0,0|2,0,0]=3 4211 B11R0.40 CCCOCCSC[C@@H](C)CO 62a_100000059175_100011215938 [0,1,0,0,0,0|3,0,0]=4 4212 B11R0.40 CCCOCCSC[C@@H](C)CO 62a_100011215938_100000059175 [0,1,0,0,0,0|3,0,0]=4 4213 B11R0.40 CCCOCCSC[C@@H](O)CF 62a_100011215938_100015614560 [0,1,0,0,0,0|2,0,0]=3 4214 B11R0.40 CCCOCCSC[C@@H](O)CF 62a_100015614560_100011215938 [0,1,0,0,0,0|2,0,0]=3 4215 B11R0.40 CCCOCCSC[C@@H](O)CO 62a_100009815848_100011215938 [0,1,0,0,0,0|2,0,0]=3 4216 B11R0.40 CCCOCCSC[C@@H](O)CO 62a_100011215938_100009815848 [0,1,0,0,0,0|2,0,0]=3 4217 B11R0.40 CCCSCCCCC(=O)OC 62a_100000204269_100000210303 [0,1,0,0,0,0|1,0,2]=4 4218 B11R0.40 CCCSCCCCC(=O)OC 62a_100000210303_100000204269 [0,1,0,0,0,0|1,0,2]=4 4219 B11R0.40 CCCSCCNCC(C)CC 2230a_100020603323_100000748023 [0,1,0,0,0,0|2,0,0]=3 4220 B11R0.40 CCCSCCNCC(C)CC 270004a_100020603323_100000243153 [0,1,0,0,0,0|2,0,0]=3 4221 B11R0.40 CCCSCCNCC(O)CC 2230a_100020603323_100011218378 [0,1,0,0,0,0|1,0,0]=2 4222 B11R0.40 CCCSCCNCC(O)CO 2230a_100020603323_100011219619 [0,1,0,0,0,0|2,0,0]=3 4223 B11R0.40 CCCSCCNC[C@@H](C)CC 2230a_100020603323_100009816398 [0,1,0,0,0,0|2,0,0]=3 4224 B11R0.40 CCCSCCNC[C@@H](C)CO 2230a_100020603323_100000059175 [0,1,0,0,0,0|3,0,0]=4 4225 B11R0.40 CCCSCCNC[C@@H](O)CF 2230a_100020603323_100015614560 [0,1,0,0,0,0|2,0,0]=3 4226 B11R0.40 CCCSCCNC[C@@H](O)CO 2230a_100020603323_100009815848 [0,1,0,0,0,0|2,0,0]=3 4227 B11R0.40 CCCSCCOCC(=O)CC 7a_200000230433_100000747405 [0,1,0,0,0,0|1,0,2]=4 4228 B11R0.40 CCCSCCOCC(C)CC 34a_200000230433_100000748023 [0,1,0,0,0,0|2,0,0]=3 4229 B11R0.40 CCCSCCOCC(C)CC 7a_200000230433_100000748023 [0,1,0,0,0,0|2,0,0]=3 4230 B11R0.40 CCCSCCOCC(O)CC 34a_200000230433_100011218378 [0,1,0,0,0,0|1,0,0]=2 4231 B11R0.40 CCCSCCOCC(O)CC 7a_200000230433_100011218378 [0,1,0,0,0,0|1,0,0]=2 4232 B11R0.40 CCCSCCOCC(O)CO 34a_200000230433_100011219619 [0,1,0,0,0,0|2,0,0]=3 4233 B11R0.40 CCCSCCOCC(O)CO 7a_200000230433_100011219619 [0,1,0,0,0,0|2,0,0]=3 4234 B11R0.40 CCCSCCOC[C@@H](C)CC 34a_200000230433_100009816398 [0,1,0,0,0,0|2,0,0]=3 4235 B11R0.40 CCCSCCOC[C@@H](C)CC 7a_200000230433_100009816398 [0,1,0,0,0,0|2,0,0]=3 4236 B11R0.40 CCCSCCOC[C@@H](C)CO 34a_200000230433_100000059175 [0,1,0,0,0,0|3,0,0]=4 4237 B11R0.40 CCCSCCOC[C@@H](C)CO 7a_200000230433_100000059175 [0,1,0,0,0,0|3,0,0]=4 4238 B11R0.40 CCCSCCOC[C@@H](O)CF 34a_200000230433_100015614560 [0,1,0,0,0,0|2,0,0]=3 4239 B11R0.40 CCCSCCOC[C@@H](O)CF 7a_200000230433_100015614560 [0,1,0,0,0,0|2,0,0]=3 4240 B11R0.40 CCCSCCOC[C@@H](O)CO 34a_200000230433_100009815848 [0,1,0,0,0,0|2,0,0]=3 4241 B11R0.40 CCCSCCOC[C@@H](O)CO 7a_200000230433_100009815848 [0,1,0,0,0,0|2,0,0]=3 4242 B11R0.40 CCN(C)CCCCCCC#N 2230a_100000225621_100009813337 [0,1,0,0,0,0|2,0,1]=4 4243 B11R0.40 CCN(C)CCCCCCC#N 269982a_100000225621_100009813337 [0,1,0,0,0,0|2,0,1]=4 4244 B11R0.40 CCN(C)CCCCCCCO 2230a_100000225621_100000760002 [0,1,0,0,0,0|2,0,0]=3 4245 B11R0.40 CCN(C)CCCCCCCO 269982a_100000225621_100000760002 [0,1,0,0,0,0|2,0,0]=3 4246 B11R0.40 CCN(C)CCCCCCOC 2230a_100000225621_100011998445 [0,1,0,0,0,0|2,0,0]=3 4247 B11R0.40 CCN(C)CCCCCCOC 269982a_100000225621_100011998445 [0,1,0,0,0,0|2,0,0]=3 4248 B11R0.40 CCN(C)CCCNCCCF 2230a_100015189416_100015186262 [0,1,0,0,0,0|3,0,0]=4 4249 B11R0.40 CCN(C)CCCNCCOC 2230a_100000209980_100015186262 [0,1,0,0,0,0|3,0,0]=4 4250 B11R0.40 CCN(C)CCCNCCSC 2230a_100020590264_100015186262 [0,1,0,0,0,0|3,0,0]=4 4251 B11R0.40 CCN(C)CCCOCCOC 2230a_100000225621_100011216529 [0,1,0,0,0,0|3,0,0]=4 4252 B11R0.40 CCN(C)CCCOCCOC 269982a_100000225621_100011216529 [0,1,0,0,0,0|3,0,0]=4 4253 B11R0.40 CCN(C)CCCOCCSC 7a_100000230434_100015186262 [0,1,0,0,0,0|3,0,0]=4 4254 B11R0.40 CCN(C)CCCSCCCF 62a_100011934791_100015186262 [0,1,0,0,0,0|3,0,0]=4 4255 B11R0.40 CCN(C)CCCSCCCO 62a_100011215043_100015186262 [0,1,0,0,0,0|3,0,0]=4 4256 B11R0.40 CCN(C)CCCSCCOC 62a_100000233755_100015186262 [0,1,0,0,0,0|3,0,0]=4 4257 B11R0.40 CCN(C)CCCSCCSC 62a_100000212216_100015186262 [0,1,0,0,0,0|3,0,0]=4 4258 B11R0.40 CCNCCCCCC(=O)OC 2230a_100015525214_100009816466 [0,1,0,0,0,0|1,0,2]=4 4259 B11R0.40 CCOCCCCCC(=O)OC 34a_100000074720_100000210202 [0,1,0,0,0,0|1,0,2]=4 4260 B11R0.40 CCOCCCCCC(=O)OC 34a_100121572206_100009816466 [0,1,0,0,0,0|1,0,2]=4 4261 B11R0.40 CCOCCCCCC(=O)OC 7a_100000074720_100000210202 [0,1,0,0,0,0|1,0,2]=4 4262 B11R0.40 CCOCCCCCC(C)CC 7a_200000035636_100000210202 [0,1,0,0,0,0|1,0,0]=2 4263 B11R0.40 CCOCCCNCC(C)CC 2230a_100000210961_100000748023 [0,1,0,0,0,0|2,0,0]=3 4264 B11R0.40 CCOCCCNCC(C)CC 2230a_100020588543_100012232248 [0,1,0,0,0,0|2,0,0]=3 4265 B11R0.40 CCOCCCNCC(C)CC 270004a_100000210961_100000243153 [0,1,0,0,0,0|2,0,0]=3 4266 B11R0.40 CCOCCCNCC(C)CC 34a_100000210961_100000748023 [0,1,0,0,0,0|2,0,0]=3 4267 B11R0.40 CCOCCCNCC(C)CO 34a_100000744482_100012232248 [0,1,0,0,0,0|3,0,0]=4 4268 B11R0.40 CCOCCCNCC(O)CC 2230a_100000210961_100011218378 [0,1,0,0,0,0|1,0,0]=2 4269 B11R0.40 CCOCCCNCC(O)CC 2230a_100011218483_100012232248 [0,1,0,0,0,0|1,0,0]=2 4270 B11R0.40 CCOCCCNCC(O)CC 34a_100000210961_100011218378 [0,1,0,0,0,0|1,0,0]=2 4271 B11R0.40 CCOCCCNCC(O)CO 2230a_100000210961_100011219619 [0,1,0,0,0,0|2,0,0]=3 4272 B11R0.40 CCOCCCNCC(O)CO 34a_100000210961_100011219619 [0,1,0,0,0,0|2,0,0]=3 4273 B11R0.40 CCOCCCNC[C@@H](C)CC 2230a_100000210961_100009816398 [0,1,0,0,0,0|2,0,0]=3 4274 B11R0.40 CCOCCCNC[C@@H](C)CC 34a_100000210961_100009816398 [0,1,0,0,0,0|2,0,0]=3 4275 B11R0.40 CCOCCCNC[C@@H](C)CO 2230a_100000210961_100000059175 [0,1,0,0,0,0|3,0,0]=4 4276 B11R0.40 CCOCCCNC[C@@H](C)CO 34a_100000210961_100000059175 [0,1,0,0,0,0|3,0,0]=4 4277 B11R0.40 CCOCCCNC[C@@H](C)OC 2230a_100020591295_100012232248 [0,1,0,0,0,0|3,0,0]=4 4278 B11R0.40 CCOCCCNC[C@@H](F)CO 34a_100015665980_100012232248 [0,1,0,0,0,0|3,0,0]=4 4279 B11R0.40 CCOCCCNC[C@@H](O)CF 2230a_100000210961_100015614560 [0,1,0,0,0,0|2,0,0]=3 4280 B11R0.40 CCOCCCNC[C@@H](O)CF 34a_100000210961_100015614560 [0,1,0,0,0,0|2,0,0]=3 4281 B11R0.40 CCOCCCNC[C@@H](O)CO 2230a_100000210961_100009815848 [0,1,0,0,0,0|2,0,0]=3 4282 B11R0.40 CCOCCCNC[C@@H](O)CO 34a_100000210961_100009815848 [0,1,0,0,0,0|2,0,0]=3 4283 B11R0.40 CCOCCCNC[C@H](O)CO 2230a_100020644852_100012232248 [0,1,0,0,0,0|2,0,0]=3 4284 B11R0.40 CCOCCCOCC(=O)CC 34a_100000725409_100012232248 [0,1,0,0,0,0|1,0,2]=4 4285 B11R0.40 CCOCCCOCC(=O)CC 7a_100000757476_100000747405 [0,1,0,0,0,0|1,0,2]=4 4286 B11R0.40 CCOCCCOCC(C)CC 34a_100000757476_100000748023 [0,1,0,0,0,0|2,0,0]=3 4287 B11R0.40 CCOCCCOCC(C)CC 7a_100000757476_100000748023 [0,1,0,0,0,0|2,0,0]=3 4288 B11R0.40 CCOCCCOCC(C)CN 34a_100000744482_100012232248 [0,1,0,0,0,0|3,0,0]=4 4289 B11R0.40 CCOCCCOCC(C)OC 34a_100000690652_100012232248 [0,1,0,0,0,0|3,0,0]=4 4290 B11R0.40 CCOCCCOCC(Cl)CCl 34a_100000033668_100012232248 [0,1,0,0,0,0|3,0,0]=4 4291 B11R0.40 CCOCCCOCC(O)CC 34a_100000757476_100011218378 [0,1,0,0,0,0|1,0,0]=2 4292 B11R0.40 CCOCCCOCC(O)CC 7a_100000757476_100011218378 [0,1,0,0,0,0|1,0,0]=2 4293 B11R0.40 CCOCCCOCC(O)CO 34a_100000757476_100011219619 [0,1,0,0,0,0|2,0,0]=3 4294 B11R0.40 CCOCCCOCC(O)CO 7a_100000757476_100011219619 [0,1,0,0,0,0|2,0,0]=3 4295 B11R0.40 CCOCCCOC[C@@H](C)CC 34a_100000757476_100009816398 [0,1,0,0,0,0|2,0,0]=3 4296 B11R0.40 CCOCCCOC[C@@H](C)CC 7a_100000757476_100009816398 [0,1,0,0,0,0|2,0,0]=3 4297 B11R0.40 CCOCCCOC[C@@H](C)CC 7a_100009816381_100012232248 [0,1,0,0,0,0|2,0,0]=3 4298 B11R0.40 CCOCCCOC[C@@H](C)CO 34a_100000757476_100000059175 [0,1,0,0,0,0|3,0,0]=4 4299 B11R0.40 CCOCCCOC[C@@H](C)CO 7a_100000757476_100000059175 [0,1,0,0,0,0|3,0,0]=4 4300 B11R0.40 CCOCCCOC[C@@H](O)CF 34a_100000757476_100015614560 [0,1,0,0,0,0|2,0,0]=3 4301 B11R0.40 CCOCCCOC[C@@H](O)CF 7a_100000757476_100015614560 [0,1,0,0,0,0|2,0,0]=3 4302 B11R0.40 CCOCCCOC[C@@H](O)CO 34a_100000757476_100009815848 [0,1,0,0,0,0|2,0,0]=3 4303 B11R0.40 CCOCCCOC[C@@H](O)CO 7a_100000757476_100009815848 [0,1,0,0,0,0|2,0,0]=3 4304 B11R0.40 CCOCCCOC[C@H](F)CN 34a_100015665980_100012232248 [0,1,0,0,0,0|3,0,0]=4 4305 B11R0.40 CCOCCCSCC(=O)CC 62a_100000747405_100012232248 [0,1,0,0,0,0|1,0,2]=4 4306 B11R0.40 CCOCCCSCC(=O)CC 62a_100012232248_100000747405 [0,1,0,0,0,0|1,0,2]=4 4307 B11R0.40 CCOCCCSCC(C)CC 62a_100000748023_100012232248 [0,1,0,0,0,0|2,0,0]=3 4308 B11R0.40 CCOCCCSCC(C)CC 62a_100012232248_100000748023 [0,1,0,0,0,0|2,0,0]=3 4309 B11R0.40 CCOCCCSCC(O)CC 62a_100011218378_100012232248 [0,1,0,0,0,0|1,0,0]=2 4310 B11R0.40 CCOCCCSCC(O)CC 62a_100012232248_100011218378 [0,1,0,0,0,0|1,0,0]=2 4311 B11R0.40 CCOCCCSCC(O)CO 62a_100011219619_100012232248 [0,1,0,0,0,0|2,0,0]=3 4312 B11R0.40 CCOCCCSCC(O)CO 62a_100012232248_100011219619 [0,1,0,0,0,0|2,0,0]=3 4313 B11R0.40 CCOCCCSC[C@@H](C)CC 62a_100009816398_100012232248 [0,1,0,0,0,0|2,0,0]=3 4314 B11R0.40 CCOCCCSC[C@@H](C)CC 62a_100012232248_100009816398 [0,1,0,0,0,0|2,0,0]=3 4315 B11R0.40 CCOCCCSC[C@@H](C)CO 62a_100000059175_100012232248 [0,1,0,0,0,0|3,0,0]=4 4316 B11R0.40 CCOCCCSC[C@@H](C)CO 62a_100012232248_100000059175 [0,1,0,0,0,0|3,0,0]=4 4317 B11R0.40 CCOCCCSC[C@@H](O)CF 62a_100012232248_100015614560 [0,1,0,0,0,0|2,0,0]=3 4318 B11R0.40 CCOCCCSC[C@@H](O)CF 62a_100015614560_100012232248 [0,1,0,0,0,0|2,0,0]=3 4319 B11R0.40 CCOCCCSC[C@@H](O)CO 62a_100009815848_100012232248 [0,1,0,0,0,0|2,0,0]=3 4320 B11R0.40 CCOCCCSC[C@@H](O)CO 62a_100012232248_100009815848 [0,1,0,0,0,0|2,0,0]=3 4321 B11R0.40 CCOCCNCCC(C)CC 2230a_100020591266_100011215890 [0,1,0,0,0,0|2,0,0]=3 4322 B11R0.40 CCOCCNCCC(C)CO 2230a_106354213184_100011215890 [0,1,0,0,0,0|3,0,0]=4 4323 B11R0.40 CCOCCNCCC(C)CO 34a_106354213184_100000210147 [0,1,0,0,0,0|3,0,0]=4 4324 B11R0.40 CCOCCOCCC(=O)CC 1458a_100000210414_100011211534 [0,1,0,0,0,0|1,0,2]=4 4325 B11R0.40 CCOCCOCCC(C)CC 7a_100011215188_100011215890 [0,1,0,0,0,0|2,0,0]=3 4326 B11R0.40 CCOCCOCCC(C)OC 7a_100000764861_100011215890 [0,1,0,0,0,0|3,0,0]=4 4327 B11R0.40 CCOCCOCCN(C)CC 2230a_100000225621_100011211534 [0,1,0,0,0,0|3,0,0]=4 4328 B11R0.40 CCOCCOCCN(C)CC 269982a_100000225621_100011211534 [0,1,0,0,0,0|3,0,0]=4 4329 B11R0.40 CCOCSCCCN(C)CC 62a_100000739092_100015186262 [0,1,0,0,0,0|3,0,0]=4 4330 B11R0.40 CCSCCCCCC(=O)OC 62a_100000210202_100009816466 [0,1,0,0,0,0|1,0,2]=4 4331 B11R0.40 CCSCCCCCC(=O)OC 62a_100009816466_100000210202 [0,1,0,0,0,0|1,0,2]=4 4332 B11R0.40 CCSCCCOCC(=O)CC 7a_100011216438_100000747405 [0,1,0,0,0,0|1,0,2]=4 4333 B11R0.40 CCSCCCOCC(C)CC 34a_100011216438_100000748023 [0,1,0,0,0,0|2,0,0]=3 4334 B11R0.40 CCSCCCOCC(C)CC 7a_100011216438_100000748023 [0,1,0,0,0,0|2,0,0]=3 4335 B11R0.40 CCSCCCOCC(O)CC 34a_100011216438_100011218378 [0,1,0,0,0,0|1,0,0]=2 4336 B11R0.40 CCSCCCOCC(O)CC 7a_100011216438_100011218378 [0,1,0,0,0,0|1,0,0]=2 4337 B11R0.40 CCSCCCOCC(O)CO 34a_100011216438_100011219619 [0,1,0,0,0,0|2,0,0]=3 4338 B11R0.40 CCSCCCOCC(O)CO 7a_100011216438_100011219619 [0,1,0,0,0,0|2,0,0]=3 4339 B11R0.40 CCSCCCOC[C@@H](C)CC 34a_100011216438_100009816398 [0,1,0,0,0,0|2,0,0]=3 4340 B11R0.40 CCSCCCOC[C@@H](C)CC 7a_100011216438_100009816398 [0,1,0,0,0,0|2,0,0]=3 4341 B11R0.40 CCSCCCOC[C@@H](C)CO 34a_100011216438_100000059175 [0,1,0,0,0,0|3,0,0]=4 4342 B11R0.40 CCSCCCOC[C@@H](C)CO 7a_100011216438_100000059175 [0,1,0,0,0,0|3,0,0]=4 4343 B11R0.40 CCSCCCOC[C@@H](O)CF 34a_100011216438_100015614560 [0,1,0,0,0,0|2,0,0]=3 4344 B11R0.40 CCSCCCOC[C@@H](O)CF 7a_100011216438_100015614560 [0,1,0,0,0,0|2,0,0]=3 4345 B11R0.40 CCSCCCOC[C@@H](O)CO 34a_100011216438_100009815848 [0,1,0,0,0,0|2,0,0]=3 4346 B11R0.40 CCSCCCOC[C@@H](O)CO 7a_100011216438_100009815848 [0,1,0,0,0,0|2,0,0]=3 4347 B11R0.40 CCSCCNCCC(C)CC 2230a_100020591266_100000757381 [0,1,0,0,0,0|2,0,0]=3 4348 B11R0.40 CCSCCNCCC(C)CO 2230a_106354213184_100000757381 [0,1,0,0,0,0|3,0,0]=4 4349 B11R0.40 CCSCCNCCC(C)CO 34a_106354213184_100000757381 [0,1,0,0,0,0|3,0,0]=4 4350 B11R0.40 CCSCCOCCC(C)CC 7a_100011215188_100000757381 [0,1,0,0,0,0|2,0,0]=3 4351 B11R0.40 CCSCCOCCC(C)OC 7a_100000764861_100000757381 [0,1,0,0,0,0|3,0,0]=4 4352 B11R0.40 CC[C@H](C)CNCCCCCO 2230a_100000762737_100009816398 [0,1,0,0,0,0|2,0,0]=3 4353 B11R0.40 CC[C@H](C)CNCCCCCO 34a_100000762737_100009816398 [0,1,0,0,0,0|2,0,0]=3 4354 B11R0.40 CC[C@H](C)CNCCOCCO 2230a_100000211614_100009816398 [0,1,0,0,0,0|3,0,0]=4 4355 B11R0.40 CC[C@H](C)CNCCOCCO 34a_100000211614_100009816398 [0,1,0,0,0,0|3,0,0]=4 4356 B11R0.40 CC[C@H](C)CNCCSCCO 2230a_100011219999_100009816398 [0,1,0,0,0,0|3,0,0]=4 4357 B11R0.40 CC[C@H](C)COCCCCC#N 7a_100009816381_100000211819 [0,1,0,0,0,0|2,0,1]=4 4358 B11R0.40 CC[C@H](C)COCCCCC=O 7a_100009816381_100000139335 [0,1,0,0,0,0|2,0,1]=4 4359 B11R0.40 CC[C@H](C)COCCCCCBr 34a_100000746331_100009816398 [0,1,0,0,0,0|2,0,0]=3 4360 B11R0.40 CC[C@H](C)COCCCCCBr 7a_100000746331_100009816398 [0,1,0,0,0,0|2,0,0]=3 4361 B11R0.40 CC[C@H](C)COCCCCCCl 34a_100000746330_100009816398 [0,1,0,0,0,0|2,0,0]=3 4362 B11R0.40 CC[C@H](C)COCCCCCCl 7a_100000746330_100009816398 [0,1,0,0,0,0|2,0,0]=3 4363 B11R0.40 CC[C@H](C)COCCCCCF 7a_100009816381_100000729378 [0,1,0,0,0,0|2,0,0]=3 4364 B11R0.40 CC[C@H](C)COCCCCCI 34a_200012148887_100009816398 [0,1,0,0,0,0|2,0,0]=3 4365 B11R0.40 CC[C@H](C)COCCCCCI 7a_200012148887_100009816398 [0,1,0,0,0,0|2,0,0]=3 4366 B11R0.40 CC[C@H](C)COCCCCCN 34a_100000762737_100009816398 [0,1,0,0,0,0|2,0,0]=3 4367 B11R0.40 CC[C@H](C)COCCCCCO 7a_100009816381_100000746330 [0,1,0,0,0,0|2,0,0]=3 4368 B11R0.40 CC[C@H](C)COCCCCOC 34a_100000740925_100009816398 [0,1,0,0,0,0|2,0,0]=3 4369 B11R0.40 CC[C@H](C)COCCCCOC 7a_100009816381_100000730899 [0,1,0,0,0,0|2,0,0]=3 4370 B11R0.40 CC[C@H](C)COCCCCSC 34a_100011217163_100009816398 [0,1,0,0,0,0|2,0,0]=3 4371 B11R0.40 CC[C@H](C)COCCCCSC 7a_100011217163_100009816398 [0,1,0,0,0,0|2,0,0]=3 4372 B11R0.40 CC[C@H](C)COCCOCCBr 34a_100000692535_100009816398 [0,1,0,0,0,0|3,0,0]=4 4373 B11R0.40 CC[C@H](C)COCCOCCBr 7a_100000692535_100009816398 [0,1,0,0,0,0|3,0,0]=4 4374 B11R0.40 CC[C@H](C)COCCOCCCl 34a_100011215305_100009816398 [0,1,0,0,0,0|3,0,0]=4 4375 B11R0.40 CC[C@H](C)COCCOCCCl 7a_100011215305_100009816398 [0,1,0,0,0,0|3,0,0]=4 4376 B11R0.40 CC[C@H](C)COCCOCCF 34a_200015357709_100009816398 [0,1,0,0,0,0|3,0,0]=4 4377 B11R0.40 CC[C@H](C)COCCOCCF 7a_200015357709_100009816398 [0,1,0,0,0,0|3,0,0]=4 4378 B11R0.40 CC[C@H](C)COCCOCCI 34a_100012149058_100009816398 [0,1,0,0,0,0|3,0,0]=4 4379 B11R0.40 CC[C@H](C)COCCOCCI 7a_100012149058_100009816398 [0,1,0,0,0,0|3,0,0]=4 4380 B11R0.40 CC[C@H](C)COCCOCCN 34a_100000211614_100009816398 [0,1,0,0,0,0|3,0,0]=4 4381 B11R0.40 CC[C@H](C)COCCOCCO 7a_100009816381_100011215305 [0,1,0,0,0,0|3,0,0]=4 4382 B11R0.40 CC[C@H](C)CSCCCCC#N 62a_100009816398_100000211819 [0,1,0,0,0,0|2,0,1]=4 4383 B11R0.40 CC[C@H](C)CSCCCCC#N 62a_100011219923_100009816398 [0,1,0,0,0,0|2,0,1]=4 4384 B11R0.40 CC[C@H](C)CSCCCCC=O 62a_100000139335_100009816398 [0,1,0,0,0,0|2,0,1]=4 4385 B11R0.40 CC[C@H](C)CSCCCCC=O 62a_100009816398_100000139335 [0,1,0,0,0,0|2,0,1]=4 4386 B11R0.40 CC[C@H](C)CSCCCCCF 62a_100000729378_100009816398 [0,1,0,0,0,0|2,0,0]=3 4387 B11R0.40 CC[C@H](C)CSCCCCCF 62a_100009816398_100000729378 [0,1,0,0,0,0|2,0,0]=3 4388 B11R0.40 CC[C@H](C)CSCCCCCO 62a_100000746330_100009816398 [0,1,0,0,0,0|2,0,0]=3 4389 B11R0.40 CC[C@H](C)CSCCCCCO 62a_100009816398_100000746330 [0,1,0,0,0,0|2,0,0]=3 4390 B11R0.40 CC[C@H](C)CSCCCCOC 62a_100000730899_100009816398 [0,1,0,0,0,0|2,0,0]=3 4391 B11R0.40 CC[C@H](C)CSCCCCOC 62a_100009816398_100000730899 [0,1,0,0,0,0|2,0,0]=3 4392 B11R0.40 CC[C@H](C)CSCCOCCO 62a_100009816398_100011215305 [0,1,0,0,0,0|3,0,0]=4 4393 B11R0.40 CC[C@H](C)CSCCOCCO 62a_100011215305_100009816398 [0,1,0,0,0,0|3,0,0]=4 4394 B11R0.40 CC[C@H](C)CSCOCCOC 62a_100000231047_100009816398 [0,1,0,0,0,0|3,0,0]=4 4395 B11R0.40 CC[C@H](C)CSCOCCOC 62a_100009816398_100000231047 [0,1,0,0,0,0|3,0,0]=4 4396 B11R0.40 CNC(=O)CCCCCCCO 240690a_100102657272_100011219782 [0,1,0,0,0,0|1,0,2]=4 4397 B11R0.40 CNCCCCCCC(=O)OC 2230a_106832991635_100009815986 [0,1,0,0,0,0|1,0,2]=4 4398 B11R0.40 CNCCCCCCC(=O)OC 34a_100102657272_100009815986 [0,1,0,0,0,0|1,0,2]=4 4399 B11R0.40 CNCCCCCCC(=O)OC 7a_106832991635_100009815986 [0,1,0,0,0,0|1,0,2]=4 4400 B11R0.40 CNCCCCCOC(C)CO 34a_100000722520_100012180447 [0,1,0,0,0,0|3,0,0]=4 4401 B11R0.40 COC(=O)CCCCCCO[13CH3] 34a_100009863599_200025704644 [0,1,0,0,0,0|1,0,2]=4 4402 B11R0.40 COC(=O)CCCCCCO[13CH3] 7a_100009863599_200025704644 [0,1,0,0,0,0|1,0,2]=4 4403 B11R0.40 COC(=O)CCCCCCSC 62a_100009815986_200000210301 [0,1,0,0,0,0|1,0,2]=4 4404 B11R0.40 COC(=O)CCCCCCSC 62a_200000210301_100009815986 [0,1,0,0,0,0|1,0,2]=4 4405 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_100009815986_200025704644 [0,1,0,0,0,0|1,0,2]=4 4406 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_200025704644_100009815986 [0,1,0,0,0,0|1,0,2]=4 4407 B11R0.40 COC(C)CCOCCCCF 7a_100000764861_100000729493 [0,1,0,0,0,0|3,0,0]=4 4408 B11R0.40 COC(C)CCOCCCCO 7a_100000764861_100000210776 [0,1,0,0,0,0|3,0,0]=4 4409 B11R0.40 COC(C)COCCCCCF 34a_100000690652_100000729378 [0,1,0,0,0,0|3,0,0]=4 4410 B11R0.40 COC(C)COCCCCCO 34a_100000690652_100000746330 [0,1,0,0,0,0|3,0,0]=4 4411 B11R0.40 COC(C)SCCCCCCF 62a_100009879195_100015922095 [0,1,0,0,0,0|3,0,0]=4 4412 B11R0.40 COC(C)SCCCCCCF 62a_100015922095_100009879195 [0,1,0,0,0,0|3,0,0]=4 4413 B11R0.40 COC(C)SCCCCCCO 62a_100000766143_100009879195 [0,1,0,0,0,0|3,0,0]=4 4414 B11R0.40 COC(C)SCCCCCCO 62a_100009879195_100000766143 [0,1,0,0,0,0|3,0,0]=4 4415 B11R0.40 COCCCCCCC(=O)CO 1458a_100000210174_100011998445 [0,1,0,0,0,0|1,0,2]=4 4416 B11R0.40 COCCCCCCC(=O)OC 34a_100009863599_200000210301 [0,1,0,0,0,0|1,0,2]=4 4417 B11R0.40 COCCCCCCC(=O)OC 34a_100138415774_100009815986 [0,1,0,0,0,0|1,0,2]=4 4418 B11R0.40 COCCCCCCC(=O)OC 7a_100009863599_200000210301 [0,1,0,0,0,0|1,0,2]=4 4419 B11R0.40 COCCCCCNC(C)CO 2230a_100000747528_100012180447 [0,1,0,0,0,0|3,0,0]=4 4420 B11R0.40 COCCCCCNC(C)CO 34a_100000747528_100012180447 [0,1,0,0,0,0|3,0,0]=4 4421 B11R0.40 COCCCCNCC(C)CO 34a_100000744482_100000755781 [0,1,0,0,0,0|3,0,0]=4 4422 B11R0.40 COCCCCNC[C@@H](C)OC 2230a_100020591295_100000730899 [0,1,0,0,0,0|3,0,0]=4 4423 B11R0.40 COCCCCNC[C@@H](F)CO 34a_100015665980_100000755781 [0,1,0,0,0,0|3,0,0]=4 4424 B11R0.40 COCCCCNC[C@H](O)CO 2230a_100020644852_100000730899 [0,1,0,0,0,0|2,0,0]=3 4425 B11R0.40 COCCCCOCC(C)CN 34a_100000744482_100000755781 [0,1,0,0,0,0|3,0,0]=4 4426 B11R0.40 COCCCCOCC(C)OC 34a_100000690652_100000755781 [0,1,0,0,0,0|3,0,0]=4 4427 B11R0.40 COCCCCOCC(Cl)CCl 34a_100000033668_100000755781 [0,1,0,0,0,0|3,0,0]=4 4428 B11R0.40 COCCCCOCC(O)CO 34a_100000740925_100011219619 [0,1,0,0,0,0|2,0,0]=3 4429 B11R0.40 COCCCCOC[C@@H](C)CO 34a_100000740925_100000059175 [0,1,0,0,0,0|3,0,0]=4 4430 B11R0.40 COCCCCOC[C@@H](O)CF 34a_100000740925_100015614560 [0,1,0,0,0,0|2,0,0]=3 4431 B11R0.40 COCCCCOC[C@@H](O)CO 34a_100000740925_100009815848 [0,1,0,0,0,0|2,0,0]=3 4432 B11R0.40 COCCCCOC[C@H](F)CN 34a_100015665980_100000755781 [0,1,0,0,0,0|3,0,0]=4 4433 B11R0.40 COCCCCSCC(O)CO 62a_100000730899_100011219619 [0,1,0,0,0,0|2,0,0]=3 4434 B11R0.40 COCCCCSCC(O)CO 62a_100011219619_100000730899 [0,1,0,0,0,0|2,0,0]=3 4435 B11R0.40 COCCCCSC[C@@H](C)CO 62a_100000059175_100000730899 [0,1,0,0,0,0|3,0,0]=4 4436 B11R0.40 COCCCCSC[C@@H](C)CO 62a_100000730899_100000059175 [0,1,0,0,0,0|3,0,0]=4 4437 B11R0.40 COCCCCSC[C@@H](O)CF 62a_100000730899_100015614560 [0,1,0,0,0,0|2,0,0]=3 4438 B11R0.40 COCCCCSC[C@@H](O)CF 62a_100015614560_100000730899 [0,1,0,0,0,0|2,0,0]=3 4439 B11R0.40 COCCCCSC[C@@H](O)CO 62a_100000730899_100009815848 [0,1,0,0,0,0|2,0,0]=3 4440 B11R0.40 COCCCCSC[C@@H](O)CO 62a_100009815848_100000730899 [0,1,0,0,0,0|2,0,0]=3 4441 B11R0.40 COCCCNCCC(C)CO 2230a_106354213184_100000740836 [0,1,0,0,0,0|3,0,0]=4 4442 B11R0.40 COCCCNCCC(C)CO 34a_106354213184_100000740836 [0,1,0,0,0,0|3,0,0]=4 4443 B11R0.40 COCCCOCCC(C)OC 7a_100000764861_100000740836 [0,1,0,0,0,0|3,0,0]=4 4444 B11R0.40 COCCOCCC[C@@H](C)CN 34a_100160569302_100011201679 [0,1,0,0,0,0|3,0,0]=4 4445 B11R0.40 COCCOCNC[C@H](O)CO 2230a_100020644852_100000231047 [0,1,0,0,0,0|3,0,0]=4 4446 B11R0.40 COCCOCSCC(O)CO 62a_100000231047_100011219619 [0,1,0,0,0,0|3,0,0]=4 4447 B11R0.40 COCCOCSCC(O)CO 62a_100011219619_100000231047 [0,1,0,0,0,0|3,0,0]=4 4448 B11R0.40 COCCOCSC[C@@H](O)CF 62a_100000231047_100015614560 [0,1,0,0,0,0|3,0,0]=4 4449 B11R0.40 COCCOCSC[C@@H](O)CF 62a_100015614560_100000231047 [0,1,0,0,0,0|3,0,0]=4 4450 B11R0.40 COCCOCSC[C@@H](O)CO 62a_100000231047_100009815848 [0,1,0,0,0,0|3,0,0]=4 4451 B11R0.40 COCCOCSC[C@@H](O)CO 62a_100009815848_100000231047 [0,1,0,0,0,0|3,0,0]=4 4452 B11R0.40 CO[C@H](C)CNCCCCCF 2230a_100020591295_100000729378 [0,1,0,0,0,0|3,0,0]=4 4453 B11R0.40 CO[C@H](C)CNCCCCCO 2230a_100020591295_100000746330 [0,1,0,0,0,0|3,0,0]=4 4454 B11R0.40 CSCCCCOCC(O)CO 34a_100011217163_100011219619 [0,1,0,0,0,0|2,0,0]=3 4455 B11R0.40 CSCCCCOCC(O)CO 7a_100011217163_100011219619 [0,1,0,0,0,0|2,0,0]=3 4456 B11R0.40 CSCCCCOC[C@@H](C)CO 34a_100011217163_100000059175 [0,1,0,0,0,0|3,0,0]=4 4457 B11R0.40 CSCCCCOC[C@@H](C)CO 7a_100011217163_100000059175 [0,1,0,0,0,0|3,0,0]=4 4458 B11R0.40 CSCCCCOC[C@@H](O)CF 34a_100011217163_100015614560 [0,1,0,0,0,0|2,0,0]=3 4459 B11R0.40 CSCCCCOC[C@@H](O)CF 7a_100011217163_100015614560 [0,1,0,0,0,0|2,0,0]=3 4460 B11R0.40 CSCCCCOC[C@@H](O)CO 34a_100011217163_100009815848 [0,1,0,0,0,0|2,0,0]=3 4461 B11R0.40 CSCCCCOC[C@@H](O)CO 7a_100011217163_100009815848 [0,1,0,0,0,0|2,0,0]=3 4462 B11R0.40 CSCCOCCC[C@@H](C)CN 34a_100160569302_100000212216 [0,1,0,0,0,0|3,0,0]=4 4463 B11R0.40 C[C@@H](CN)CCCOCCCF 34a_100160569302_100011934791 [0,1,0,0,0,0|3,0,0]=4 4464 B11R0.40 C[C@@H](CN)CCCOCCCO 34a_100160569302_100000230001 [0,1,0,0,0,0|3,0,0]=4 4465 B11R0.40 C[C@@H](CO)CNCCCCCO 2230a_100000762737_100000059175 [0,1,0,0,0,0|3,0,0]=4 4466 B11R0.40 C[C@@H](CO)CNCCCCCO 34a_100000762737_100000059175 [0,1,0,0,0,0|3,0,0]=4 4467 B11R0.40 C[C@@H](CO)COCCCCCBr 34a_100000746331_100000059175 [0,1,0,0,0,0|3,0,0]=4 4468 B11R0.40 C[C@@H](CO)COCCCCCBr 7a_100000746331_100000059175 [0,1,0,0,0,0|3,0,0]=4 4469 B11R0.40 C[C@@H](CO)COCCCCCCl 34a_100000746330_100000059175 [0,1,0,0,0,0|3,0,0]=4 4470 B11R0.40 C[C@@H](CO)COCCCCCCl 7a_100000746330_100000059175 [0,1,0,0,0,0|3,0,0]=4 4471 B11R0.40 C[C@@H](CO)COCCCCCI 34a_200012148887_100000059175 [0,1,0,0,0,0|3,0,0]=4 4472 B11R0.40 C[C@@H](CO)COCCCCCI 7a_200012148887_100000059175 [0,1,0,0,0,0|3,0,0]=4 4473 B11R0.40 C[C@@H](CO)COCCCCCN 34a_100000762737_100000059175 [0,1,0,0,0,0|3,0,0]=4 4474 B11R0.40 C[C@@H](CO)CSCCCCCF 62a_100000059175_100000729378 [0,1,0,0,0,0|3,0,0]=4 4475 B11R0.40 C[C@@H](CO)CSCCCCCF 62a_100000729378_100000059175 [0,1,0,0,0,0|3,0,0]=4 4476 B11R0.40 C[C@@H](CO)CSCCCCCO 62a_100000059175_100000746330 [0,1,0,0,0,0|3,0,0]=4 4477 B11R0.40 C[C@@H](CO)CSCCCCCO 62a_100000746330_100000059175 [0,1,0,0,0,0|3,0,0]=4 4478 B11R0.40 C[C@H](CO)NCCCCCCF 2230a_100000737577_100015922095 [0,1,0,0,0,0|3,0,0]=4 4479 B11R0.40 C[C@H](CO)NCCCCCCO 2230a_100000737577_100000766143 [0,1,0,0,0,0|3,0,0]=4 4480 B11R0.40 C[C@H](CO)SCCCCCCF 62a_100015922095_100016084084 [0,1,0,0,0,0|3,0,0]=4 4481 B11R0.40 C[C@H](CO)SCCCCCCF 62a_100016084084_100015922095 [0,1,0,0,0,0|3,0,0]=4 4482 B11R0.40 C[C@H](CO)SCCCCCCO 62a_100000766143_100016084084 [0,1,0,0,0,0|3,0,0]=4 4483 B11R0.40 C[C@H](CO)SCCCCCCO 62a_100016084084_100000766143 [0,1,0,0,0,0|3,0,0]=4 4484 B11R0.40 FCCCCCOCC(Cl)CCl 34a_100000033668_100000729378 [0,1,0,0,0,0|3,0,0]=4 4485 B11R0.40 N#CCCCCNC[C@H](O)CO 2230a_100020644852_100000211819 [0,1,0,0,0,0|2,0,1]=4 4486 B11R0.40 N#CCCCCSCC(O)CO 62a_100011219619_100000211819 [0,1,0,0,0,0|2,0,1]=4 4487 B11R0.40 N#CCCCCSCC(O)CO 62a_100011219923_100011219619 [0,1,0,0,0,0|2,0,1]=4 4488 B11R0.40 N#CCCCCSC[C@@H](O)CF 62a_100011219923_100015614560 [0,1,0,0,0,0|2,0,1]=4 4489 B11R0.40 N#CCCCCSC[C@@H](O)CF 62a_100015614560_100000211819 [0,1,0,0,0,0|2,0,1]=4 4490 B11R0.40 N#CCCCCSC[C@@H](O)CO 62a_100009815848_100000211819 [0,1,0,0,0,0|2,0,1]=4 4491 B11R0.40 N#CCCCCSC[C@@H](O)CO 62a_100011219923_100009815848 [0,1,0,0,0,0|2,0,1]=4 4492 B11R0.40 NCCCCCOCC(O)CO 34a_100000762737_100011219619 [0,1,0,0,0,0|2,0,0]=3 4493 B11R0.40 NCCCCCOC[C@@H](O)CF 34a_100000762737_100015614560 [0,1,0,0,0,0|2,0,0]=3 4494 B11R0.40 NCCCCCOC[C@@H](O)CO 34a_100000762737_100009815848 [0,1,0,0,0,0|2,0,0]=3 4495 B11R0.40 NCCOCCOCC(O)CO 34a_100000211614_100011219619 [0,1,0,0,0,0|3,0,0]=4 4496 B11R0.40 NCCOCCOC[C@@H](O)CF 34a_100000211614_100015614560 [0,1,0,0,0,0|3,0,0]=4 4497 B11R0.40 NCCOCCOC[C@@H](O)CO 34a_100000211614_100009815848 [0,1,0,0,0,0|3,0,0]=4 4498 B11R0.40 NC[C@@H](F)COCCCCCF 34a_100015665980_100000729378 [0,1,0,0,0,0|3,0,0]=4 4499 B11R0.40 NC[C@@H](F)COCCCCCO 34a_100015665980_100000746330 [0,1,0,0,0,0|3,0,0]=4 4500 B11R0.40 O=C(CF)CCCCCCCO 1458a_100011219782_100015361967 [0,1,0,0,0,0|1,0,2]=4 4501 B11R0.40 O=C(CO)CCCCCCCO 1458a_100000210174_100000760002 [0,1,0,0,0,0|1,0,2]=4 4502 B11R0.40 O=CCCCCNC[C@H](O)CO 2230a_100020644852_100000139335 [0,1,0,0,0,0|2,0,1]=4 4503 B11R0.40 O=CCCCCSCC(O)CO 62a_100000139335_100011219619 [0,1,0,0,0,0|2,0,1]=4 4504 B11R0.40 O=CCCCCSCC(O)CO 62a_100011219619_100000139335 [0,1,0,0,0,0|2,0,1]=4 4505 B11R0.40 O=CCCCCSC[C@@H](O)CF 62a_100000139335_100015614560 [0,1,0,0,0,0|2,0,1]=4 4506 B11R0.40 O=CCCCCSC[C@@H](O)CF 62a_100015614560_100000139335 [0,1,0,0,0,0|2,0,1]=4 4507 B11R0.40 O=CCCCCSC[C@@H](O)CO 62a_100000139335_100009815848 [0,1,0,0,0,0|2,0,1]=4 4508 B11R0.40 O=CCCCCSC[C@@H](O)CO 62a_100009815848_100000139335 [0,1,0,0,0,0|2,0,1]=4 4509 B11R0.40 OCC(O)COCCCCCBr 34a_100000746331_100011219619 [0,1,0,0,0,0|2,0,0]=3 4510 B11R0.40 OCC(O)COCCCCCBr 7a_100000746331_100011219619 [0,1,0,0,0,0|2,0,0]=3 4511 B11R0.40 OCC(O)COCCCCCCl 34a_100000746330_100011219619 [0,1,0,0,0,0|2,0,0]=3 4512 B11R0.40 OCC(O)COCCCCCCl 7a_100000746330_100011219619 [0,1,0,0,0,0|2,0,0]=3 4513 B11R0.40 OCC(O)COCCCCCI 34a_200012148887_100011219619 [0,1,0,0,0,0|2,0,0]=3 4514 B11R0.40 OCC(O)COCCCCCI 7a_200012148887_100011219619 [0,1,0,0,0,0|2,0,0]=3 4515 B11R0.40 OCC(O)COCCOCCBr 34a_100000692535_100011219619 [0,1,0,0,0,0|3,0,0]=4 4516 B11R0.40 OCC(O)COCCOCCBr 7a_100000692535_100011219619 [0,1,0,0,0,0|3,0,0]=4 4517 B11R0.40 OCC(O)COCCOCCCl 34a_100011215305_100011219619 [0,1,0,0,0,0|3,0,0]=4 4518 B11R0.40 OCC(O)COCCOCCCl 7a_100011215305_100011219619 [0,1,0,0,0,0|3,0,0]=4 4519 B11R0.40 OCC(O)COCCOCCF 34a_200015357709_100011219619 [0,1,0,0,0,0|3,0,0]=4 4520 B11R0.40 OCC(O)COCCOCCF 7a_200015357709_100011219619 [0,1,0,0,0,0|3,0,0]=4 4521 B11R0.40 OCC(O)COCCOCCI 34a_100012149058_100011219619 [0,1,0,0,0,0|3,0,0]=4 4522 B11R0.40 OCC(O)COCCOCCI 7a_100012149058_100011219619 [0,1,0,0,0,0|3,0,0]=4 4523 B11R0.40 OCC(O)CSCCCCCF 62a_100000729378_100011219619 [0,1,0,0,0,0|2,0,0]=3 4524 B11R0.40 OCC(O)CSCCCCCF 62a_100011219619_100000729378 [0,1,0,0,0,0|2,0,0]=3 4525 B11R0.40 OCCCCCNCC(O)CO 2230a_100000762737_100011219619 [0,1,0,0,0,0|2,0,0]=3 4526 B11R0.40 OCCCCCNCC(O)CO 34a_100000762737_100011219619 [0,1,0,0,0,0|2,0,0]=3 4527 B11R0.40 OCCCCCNC[C@@H](F)CO 34a_100015665980_100000746330 [0,1,0,0,0,0|3,0,0]=4 4528 B11R0.40 OCCCCCNC[C@@H](O)CF 2230a_100000762737_100015614560 [0,1,0,0,0,0|2,0,0]=3 4529 B11R0.40 OCCCCCNC[C@@H](O)CF 34a_100000762737_100015614560 [0,1,0,0,0,0|2,0,0]=3 4530 B11R0.40 OCCCCCNC[C@@H](O)CO 2230a_100000762737_100009815848 [0,1,0,0,0,0|2,0,0]=3 4531 B11R0.40 OCCCCCNC[C@@H](O)CO 34a_100000762737_100009815848 [0,1,0,0,0,0|2,0,0]=3 4532 B11R0.40 OCCCCCNC[C@H](O)CO 2230a_100020644852_100000746330 [0,1,0,0,0,0|2,0,0]=3 4533 B11R0.40 OCCCCCOCC(Cl)CCl 34a_100000033668_100000746330 [0,1,0,0,0,0|3,0,0]=4 4534 B11R0.40 OCCCCCSCC(O)CO 62a_100000746330_100011219619 [0,1,0,0,0,0|2,0,0]=3 4535 B11R0.40 OCCCCCSCC(O)CO 62a_100011219619_100000746330 [0,1,0,0,0,0|2,0,0]=3 4536 B11R0.40 OCCCCCSC[C@@H](O)CF 62a_100000746330_100015614560 [0,1,0,0,0,0|2,0,0]=3 4537 B11R0.40 OCCCCCSC[C@@H](O)CF 62a_100015614560_100000746330 [0,1,0,0,0,0|2,0,0]=3 4538 B11R0.40 OCCCCCSC[C@@H](O)CO 62a_100000746330_100009815848 [0,1,0,0,0,0|2,0,0]=3 4539 B11R0.40 OCCCCCSC[C@@H](O)CO 62a_100009815848_100000746330 [0,1,0,0,0,0|2,0,0]=3 4540 B11R0.40 OCCOCCNCC(O)CO 2230a_100000211614_100011219619 [0,1,0,0,0,0|3,0,0]=4 4541 B11R0.40 OCCOCCNCC(O)CO 34a_100000211614_100011219619 [0,1,0,0,0,0|3,0,0]=4 4542 B11R0.40 OCCOCCNC[C@@H](O)CF 2230a_100000211614_100015614560 [0,1,0,0,0,0|3,0,0]=4 4543 B11R0.40 OCCOCCNC[C@@H](O)CF 34a_100000211614_100015614560 [0,1,0,0,0,0|3,0,0]=4 4544 B11R0.40 OCCOCCNC[C@@H](O)CO 2230a_100000211614_100009815848 [0,1,0,0,0,0|3,0,0]=4 4545 B11R0.40 OCCOCCNC[C@@H](O)CO 34a_100000211614_100009815848 [0,1,0,0,0,0|3,0,0]=4 4546 B11R0.40 OCCOCCNC[C@H](O)CO 2230a_100020644852_100011215305 [0,1,0,0,0,0|3,0,0]=4 4547 B11R0.40 OCCOCCSCC(O)CO 62a_100011215305_100011219619 [0,1,0,0,0,0|3,0,0]=4 4548 B11R0.40 OCCOCCSCC(O)CO 62a_100011219619_100011215305 [0,1,0,0,0,0|3,0,0]=4 4549 B11R0.40 OCCOCCSC[C@@H](O)CF 62a_100011215305_100015614560 [0,1,0,0,0,0|3,0,0]=4 4550 B11R0.40 OCCOCCSC[C@@H](O)CF 62a_100015614560_100011215305 [0,1,0,0,0,0|3,0,0]=4 4551 B11R0.40 OCCOCCSC[C@@H](O)CO 62a_100009815848_100011215305 [0,1,0,0,0,0|3,0,0]=4 4552 B11R0.40 OCCOCCSC[C@@H](O)CO 62a_100011215305_100009815848 [0,1,0,0,0,0|3,0,0]=4 4553 B11R0.40 OCCSCCNCC(O)CO 2230a_100011219999_100011219619 [0,1,0,0,0,0|3,0,0]=4 4554 B11R0.40 OCCSCCNC[C@@H](O)CF 2230a_100011219999_100015614560 [0,1,0,0,0,0|3,0,0]=4 4555 B11R0.40 OCCSCCNC[C@@H](O)CO 2230a_100011219999_100009815848 [0,1,0,0,0,0|3,0,0]=4 4556 B11R0.40 OC[C@@H](O)CNCCCCCF 2230a_100020644852_100000729378 [0,1,0,0,0,0|2,0,0]=3 4557 B11R0.40 OC[C@H](F)CNCCCCCF 34a_100015665980_100000729378 [0,1,0,0,0,0|3,0,0]=4 4558 B11R0.40 OC[C@H](O)COCCCCCBr 34a_100000746331_100009815848 [0,1,0,0,0,0|2,0,0]=3 4559 B11R0.40 OC[C@H](O)COCCCCCBr 7a_100000746331_100009815848 [0,1,0,0,0,0|2,0,0]=3 4560 B11R0.40 OC[C@H](O)COCCCCCCl 34a_100000746330_100009815848 [0,1,0,0,0,0|2,0,0]=3 4561 B11R0.40 OC[C@H](O)COCCCCCCl 7a_100000746330_100009815848 [0,1,0,0,0,0|2,0,0]=3 4562 B11R0.40 OC[C@H](O)COCCCCCI 34a_200012148887_100009815848 [0,1,0,0,0,0|2,0,0]=3 4563 B11R0.40 OC[C@H](O)COCCCCCI 7a_200012148887_100009815848 [0,1,0,0,0,0|2,0,0]=3 4564 B11R0.40 OC[C@H](O)COCCOCCBr 34a_100000692535_100009815848 [0,1,0,0,0,0|3,0,0]=4 4565 B11R0.40 OC[C@H](O)COCCOCCBr 7a_100000692535_100009815848 [0,1,0,0,0,0|3,0,0]=4 4566 B11R0.40 OC[C@H](O)COCCOCCCl 34a_100011215305_100009815848 [0,1,0,0,0,0|3,0,0]=4 4567 B11R0.40 OC[C@H](O)COCCOCCCl 7a_100011215305_100009815848 [0,1,0,0,0,0|3,0,0]=4 4568 B11R0.40 OC[C@H](O)COCCOCCF 34a_200015357709_100009815848 [0,1,0,0,0,0|3,0,0]=4 4569 B11R0.40 OC[C@H](O)COCCOCCF 7a_200015357709_100009815848 [0,1,0,0,0,0|3,0,0]=4 4570 B11R0.40 OC[C@H](O)COCCOCCI 34a_100012149058_100009815848 [0,1,0,0,0,0|3,0,0]=4 4571 B11R0.40 OC[C@H](O)COCCOCCI 7a_100012149058_100009815848 [0,1,0,0,0,0|3,0,0]=4 4572 B11R0.40 OC[C@H](O)CSCCCCCF 62a_100000729378_100009815848 [0,1,0,0,0,0|2,0,0]=3 4573 B11R0.40 OC[C@H](O)CSCCCCCF 62a_100009815848_100000729378 [0,1,0,0,0,0|2,0,0]=3 4574 B11R0.40 O[C@@H](CF)COCCCCCBr 34a_100000746331_100015614560 [0,1,0,0,0,0|2,0,0]=3 4575 B11R0.40 O[C@@H](CF)COCCCCCBr 7a_100000746331_100015614560 [0,1,0,0,0,0|2,0,0]=3 4576 B11R0.40 O[C@@H](CF)COCCCCCCl 34a_100000746330_100015614560 [0,1,0,0,0,0|2,0,0]=3 4577 B11R0.40 O[C@@H](CF)COCCCCCCl 7a_100000746330_100015614560 [0,1,0,0,0,0|2,0,0]=3 4578 B11R0.40 O[C@@H](CF)COCCCCCI 34a_200012148887_100015614560 [0,1,0,0,0,0|2,0,0]=3 4579 B11R0.40 O[C@@H](CF)COCCCCCI 7a_200012148887_100015614560 [0,1,0,0,0,0|2,0,0]=3 4580 B11R0.40 O[C@@H](CF)COCCOCCBr 34a_100000692535_100015614560 [0,1,0,0,0,0|3,0,0]=4 4581 B11R0.40 O[C@@H](CF)COCCOCCBr 7a_100000692535_100015614560 [0,1,0,0,0,0|3,0,0]=4 4582 B11R0.40 O[C@@H](CF)COCCOCCCl 34a_100011215305_100015614560 [0,1,0,0,0,0|3,0,0]=4 4583 B11R0.40 O[C@@H](CF)COCCOCCCl 7a_100011215305_100015614560 [0,1,0,0,0,0|3,0,0]=4 4584 B11R0.40 O[C@@H](CF)COCCOCCF 34a_200015357709_100015614560 [0,1,0,0,0,0|3,0,0]=4 4585 B11R0.40 O[C@@H](CF)COCCOCCF 7a_200015357709_100015614560 [0,1,0,0,0,0|3,0,0]=4 4586 B11R0.40 O[C@@H](CF)COCCOCCI 34a_100012149058_100015614560 [0,1,0,0,0,0|3,0,0]=4 4587 B11R0.40 O[C@@H](CF)COCCOCCI 7a_100012149058_100015614560 [0,1,0,0,0,0|3,0,0]=4 4588 B11R0.40 O[C@@H](CF)CSCCCCCF 62a_100000729378_100015614560 [0,1,0,0,0,0|2,0,0]=3 4589 B11R0.40 O[C@@H](CF)CSCCCCCF 62a_100015614560_100000729378 [0,1,0,0,0,0|2,0,0]=3 4590 B11R0.42 C#CCCCNCC(O)C(C)C 2230a_100000759067_100000731252 [0,1,0,0,0,0|1,0,2]=4 4591 B11R0.42 C#CCCCNCC(O)C(C)C 34a_100000759067_100000695029 [0,1,0,0,0,0|1,0,2]=4 4592 B11R0.42 C=C(C)C(=O)CCCCCCC 1458a_100000185857_100000210614 [0,1,0,0,0,0|0,0,3]=4 4593 B11R0.42 C=C(C)C(C)NCCCCCC 269862a_100000210581_100011216138 [0,1,0,0,0,0|2,0,1]=4 4594 B11R0.42 C=CCCCNCC(O)C(C)C 2230a_100000759067_100011713584 [0,1,0,0,0,0|1,0,2]=4 4595 B11R0.42 C=CCCCNCC(O)C(C)C 34a_100000759067_100000757094 [0,1,0,0,0,0|1,0,2]=4 4596 B11R0.42 CC(C)C(=O)CCCCCCF 1458a_100000210198_100015922095 [0,1,0,0,0,0|1,0,2]=4 4597 B11R0.42 CC(C)C(=O)CCCCCCO 1458a_100000210198_100000766143 [0,1,0,0,0,0|1,0,2]=4 4598 B11R0.42 CC(C)C(=O)CCCCCCO 1458a_100011996774_100000210206 [0,1,0,0,0,0|1,0,2]=4 4599 B11R0.42 CC(C)C(C)NCCCCCF 2230a_100000211541_100000729378 [0,1,0,0,0,0|3,0,0]=4 4600 B11R0.42 CC(C)C(C)NCCCCCO 2230a_100000211541_100000746330 [0,1,0,0,0,0|3,0,0]=4 4601 B11R0.42 CC(C)C(C)OCCCCCF 7a_100000748068_100000729378 [0,1,0,0,0,0|3,0,0]=4 4602 B11R0.42 CC(C)C(C)OCCCCCO 7a_100000748068_100000746330 [0,1,0,0,0,0|3,0,0]=4 4603 B11R0.42 CC(C)C(N)CCOCCCF 34a_100161115045_100011934791 [0,1,0,0,0,0|3,0,0]=4 4604 B11R0.42 CC(C)C(N)CCOCCCO 34a_100161115045_100000230001 [0,1,0,0,0,0|3,0,0]=4 4605 B11R0.42 CC(C)C(O)CNCCCC#N 2230a_100000759067_100000687738 [0,1,0,0,0,0|2,0,1]=4 4606 B11R0.42 CC(C)C(O)CNCCCC=O 2230a_100000759067_200011292268 [0,1,0,0,0,0|2,0,1]=4 4607 B11R0.42 CC(C)C(O)CNCCCCF 2230a_100000759067_100000729493 [0,1,0,0,0,0|2,0,0]=3 4608 B11R0.42 CC(C)C(O)CNCCCCF 34a_100000759067_100000729493 [0,1,0,0,0,0|2,0,0]=3 4609 B11R0.42 CC(C)C(O)CNCCCCO 2230a_100000759067_100000210776 [0,1,0,0,0,0|2,0,0]=3 4610 B11R0.42 CC(C)C(O)CNCCCCO 34a_100000759067_100011216708 [0,1,0,0,0,0|2,0,0]=3 4611 B11R0.42 CC(C)N(C)CCCCCCF 269982a_200000211004_100015922095 [0,1,0,0,0,0|3,0,0]=4 4612 B11R0.42 CC(C)N(C)CCCCCCO 269982a_200000211004_100000766143 [0,1,0,0,0,0|3,0,0]=4 4613 B11R0.42 CC(C)[C@@H](N)COCCCCF 34a_100011830312_100000729493 [0,1,0,0,0,0|3,0,0]=4 4614 B11R0.42 CC(C)[C@@H](N)COCCCCO 34a_100011830312_100011216708 [0,1,0,0,0,0|3,0,0]=4 4615 B11R0.42 CC(F)C(=O)CCCCCCF 1458a_100000062450_100015922095 [0,1,0,0,0,0|1,0,2]=4 4616 B11R0.42 CC(F)C(=O)CCCCCCO 1458a_100000062450_100000766143 [0,1,0,0,0,0|1,0,2]=4 4617 B11R0.42 CC/C=C\CNCC(O)C(C)C 2230a_100000759067_100103147603 [0,1,0,0,0,0|1,0,2]=4 4618 B11R0.42 CC/C=C\CNCC(O)C(C)C 34a_100000759067_100103147603 [0,1,0,0,0,0|1,0,2]=4 4619 B11R0.42 CCC#CCNCC(O)C(C)C 2230a_100000759067_100009813939 [0,1,0,0,0,0|1,0,2]=4 4620 B11R0.42 CCC#CCNCC(O)C(C)C 34a_100000759067_100009813939 [0,1,0,0,0,0|1,0,2]=4 4621 B11R0.42 CCCCCCCC(=O)C(C)C 1458a_100000210198_100000210614 [0,1,0,0,0,0|0,0,2]=3 4622 B11R0.42 CCCCCCCC(=O)C(C)C 1458a_100000211969_100000210206 [0,1,0,0,0,0|0,0,2]=3 4623 B11R0.42 CCCCCCCC(=O)C(C)F 1458a_100000062450_100000210614 [0,1,0,0,0,0|0,0,2]=3 4624 B11R0.42 CCCCCCCC(=O)C(O)O 1458a_100000233687_100000210614 [0,1,0,0,0,0|1,0,2]=4 4625 B11R0.42 CCCCCCCC(=O)N(C)C 11a_100102631434_100000211969 [0,1,0,0,0,0|1,0,2]=4 4626 B11R0.42 CCCCCCCC(=O)N(C)C 1626a_100102631434_100000211969 [0,1,0,0,0,0|1,0,2]=4 4627 B11R0.42 CCCCCCCC(=O)N(C)C 240690a_100102631434_100000211969 [0,1,0,0,0,0|1,0,2]=4 4628 B11R0.42 CCCCCCCC(=O)N(C)C 527a_100102631434_100000211969 [0,1,0,0,0,0|1,0,2]=4 4629 B11R0.42 CCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210614 [0,1,0,0,0,0|0,0,2]=3 4630 B11R0.42 CCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210614 [0,1,0,0,0,0|0,0,2]=3 4631 B11R0.42 CCCCCCCC(C)C(=O)C 1458a_100000070787_200011218727 [0,1,0,0,0,0|1,0,1]=3 4632 B11R0.42 CCCCCCCC(C)N(C)C 2230a_100102631434_200011218727 [0,1,0,0,0,0|2,0,0]=3 4633 B11R0.42 CCCCCCCC(C)N(C)C 269982a_100102631434_200011218727 [0,1,0,0,0,0|2,0,0]=3 4634 B11R0.42 CCCCCCCC(C)N(C)C 270004a_100102631434_100000210596 [0,1,0,0,0,0|2,0,0]=3 4635 B11R0.42 CCCCCCCN(C)C(=O)C 11a_100000228206_100015343762 [0,1,0,0,0,0|2,0,1]=4 4636 B11R0.42 CCCCCCCN(C)C(=O)C 1626a_100000228206_100015343762 [0,1,0,0,0,0|2,0,1]=4 4637 B11R0.42 CCCCCCCN(C)C(=O)C 240690a_100000228206_100015343762 [0,1,0,0,0,0|2,0,1]=4 4638 B11R0.42 CCCCCCCN(C)C(=O)C 527a_100000228206_100103153847 [0,1,0,0,0,0|2,0,1]=4 4639 B11R0.42 CCCCCCCN(C)C(C)C 2230a_100000228206_100000210206 [0,1,0,0,0,0|2,0,0]=3 4640 B11R0.42 CCCCCCCN(C)C(C)C 269982a_100000228206_100000210206 [0,1,0,0,0,0|2,0,0]=3 4641 B11R0.42 CCCCCCCN(C)C(C)C 269982a_200000211004_100000210681 [0,1,0,0,0,0|2,0,0]=3 4642 B11R0.42 CCCCCCNC(=O)C(C)C 11a_100000210581_100000210198 [0,1,0,0,0,0|1,0,2]=4 4643 B11R0.42 CCCCCCNC(=O)C(C)C 1626a_100000210581_100000210198 [0,1,0,0,0,0|1,0,2]=4 4644 B11R0.42 CCCCCCNC(=O)C(C)C 240690a_100000210581_100000210198 [0,1,0,0,0,0|1,0,2]=4 4645 B11R0.42 CCCCCCNC(=O)C(C)C 527a_100000210581_100000210198 [0,1,0,0,0,0|1,0,2]=4 4646 B11R0.42 CCCCCCNC(=O)C(C)F 11a_100000210581_100000062450 [0,1,0,0,0,0|1,0,2]=4 4647 B11R0.42 CCCCCCNC(=O)C(C)F 1626a_100000210581_100000062450 [0,1,0,0,0,0|1,0,2]=4 4648 B11R0.42 CCCCCCNC(=O)C(C)F 240690a_100000210581_100000062450 [0,1,0,0,0,0|1,0,2]=4 4649 B11R0.42 CCCCCCNC(=O)C(C)F 527a_100000210581_100000062450 [0,1,0,0,0,0|1,0,2]=4 4650 B11R0.42 CCCCCCNC(=O)[C@@H](C)O 240690a_100000210581_100000717761 [0,1,0,0,0,0|1,0,2]=4 4651 B11R0.42 CCCCCCNC(=O)[C@H](C)O 1626a_100000210581_217856618621 [0,1,0,0,0,0|1,0,2]=4 4652 B11R0.42 CCCCCCNC(=O)[C@H](C)O 240690a_100000210581_217856618621 [0,1,0,0,0,0|1,0,2]=4 4653 B11R0.42 CCCCCCNC(C)C(=O)C 2230a_100000210581_100009814033 [0,1,0,0,0,0|2,0,1]=4 4654 B11R0.42 CCCCCCNC(C)C(C)C 2230a_100000211541_100000210314 [0,1,0,0,0,0|2,0,0]=3 4655 B11R0.42 CCCCCCOC(C)C(=O)C 34a_100000212229_100000210314 [0,1,0,0,0,0|2,0,1]=4 4656 B11R0.42 CCCCCCOC(C)C(=O)C 7a_100000210259_100000179758 [0,1,0,0,0,0|2,0,1]=4 4657 B11R0.42 CCCCCCOC(C)C(C)C 7a_100000748068_100000210314 [0,1,0,0,0,0|2,0,0]=3 4658 B11R0.42 CCCCCCSC(C)C(=O)C 62a_100000210314_100009814033 [0,1,0,0,0,0|2,0,1]=4 4659 B11R0.42 CCCCCCSC(C)C(=O)C 62a_100009814033_100000210757 [0,1,0,0,0,0|2,0,1]=4 4660 B11R0.42 CCCCCNCC(=O)C(C)C 2230a_100000209983_100000753385 [0,1,0,0,0,0|1,0,2]=4 4661 B11R0.42 CCCCCNCC(O)C(C)C 2230a_100000759067_100000210326 [0,1,0,0,0,0|1,0,0]=2 4662 B11R0.42 CCCCCNCC(O)C(C)C 34a_100000759067_100000718602 [0,1,0,0,0,0|1,0,0]=2 4663 B11R0.42 CCCCCOCC(=O)C(C)C 34a_100000210253_100000753385 [0,1,0,0,0,0|1,0,2]=4 4664 B11R0.42 CCCCCOCC(=O)C(C)C 7a_100000210253_100000753385 [0,1,0,0,0,0|1,0,2]=4 4665 B11R0.42 CCCCCOCC(C)C(=O)C 34a_100000032740_100000718602 [0,1,0,0,0,0|2,0,1]=4 4666 B11R0.42 CCCCCOCC(C)C(=O)C 7a_100000032740_100000210326 [0,1,0,0,0,0|2,0,1]=4 4667 B11R0.42 CCCCCOC[C@H](N)C(C)C 34a_100011830312_100000718602 [0,1,0,0,0,0|2,0,0]=3 4668 B11R0.42 CCCCCSCC(=O)C(C)C 62a_100000210326_100000753385 [0,1,0,0,0,0|1,0,2]=4 4669 B11R0.42 CCCCCSCC(=O)C(C)C 62a_100000753385_100000210326 [0,1,0,0,0,0|1,0,2]=4 4670 B11R0.42 CCCCOCCC(=O)C(C)C 1458a_100000210198_100000743108 [0,1,0,0,0,0|1,0,2]=4 4671 B11R0.42 CCCCOCCC(=O)C(C)F 1458a_100000062450_100000743108 [0,1,0,0,0,0|1,0,2]=4 4672 B11R0.42 CCCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100000743108 [0,1,0,0,0,0|1,0,2]=4 4673 B11R0.42 CCCCOCCC(=O)[C@H](C)O 1458a_217856618621_100000743108 [0,1,0,0,0,0|1,0,2]=4 4674 B11R0.42 CCCCOCCC(N)C(C)C 34a_100161115045_100000210210 [0,1,0,0,0,0|2,0,0]=3 4675 B11R0.42 CCCCOCCN(C)C(C)C 269982a_200000211004_100000743108 [0,1,0,0,0,0|3,0,0]=4 4676 B11R0.42 CCCCOCNC(C)C(C)C 2230a_100000211541_100011995733 [0,1,0,0,0,0|3,0,0]=4 4677 B11R0.42 CCCOCCNC(C)C(C)C 2230a_100000211541_100011215938 [0,1,0,0,0,0|3,0,0]=4 4678 B11R0.42 CCCOCCOC(C)C(C)C 7a_100000748068_100011215938 [0,1,0,0,0,0|3,0,0]=4 4679 B11R0.42 CCOCCCNC(C)C(C)C 2230a_100000211541_100012232248 [0,1,0,0,0,0|3,0,0]=4 4680 B11R0.42 CCOCCCOC(C)C(C)C 7a_100000748068_100012232248 [0,1,0,0,0,0|3,0,0]=4 4681 B11R0.42 CCOCCNCC(O)C(C)C 2230a_100000759067_100011215890 [0,1,0,0,0,0|2,0,0]=3 4682 B11R0.42 CCOCCNCC(O)C(C)C 34a_100000759067_100000210147 [0,1,0,0,0,0|2,0,0]=3 4683 B11R0.42 CCOCCOC[C@H](N)C(C)C 34a_100011830312_100000210147 [0,1,0,0,0,0|3,0,0]=4 4684 B11R0.42 CCSCCNCC(O)C(C)C 2230a_100000759067_100000757381 [0,1,0,0,0,0|2,0,0]=3 4685 B11R0.42 CCSCCNCC(O)C(C)C 34a_100000759067_100000757381 [0,1,0,0,0,0|2,0,0]=3 4686 B11R0.42 CCSCCOC[C@H](N)C(C)C 34a_100011830312_100000757381 [0,1,0,0,0,0|3,0,0]=4 4687 B11R0.42 COCCCCCC(=O)C(C)C 1458a_100011935119_100000210206 [0,1,0,0,0,0|1,0,2]=4 4688 B11R0.42 COCCCCNC(C)C(C)C 2230a_100000211541_100000730899 [0,1,0,0,0,0|3,0,0]=4 4689 B11R0.42 COCCCCOC(C)C(C)C 7a_100000748068_100000730899 [0,1,0,0,0,0|3,0,0]=4 4690 B11R0.42 COCCCNCC(O)C(C)C 2230a_100000759067_100000740836 [0,1,0,0,0,0|2,0,0]=3 4691 B11R0.42 COCCCNCC(O)C(C)C 34a_100000759067_100000740836 [0,1,0,0,0,0|2,0,0]=3 4692 B11R0.42 COCCCOC[C@H](N)C(C)C 34a_100011830312_100000740836 [0,1,0,0,0,0|3,0,0]=4 4693 B11R0.42 COCCOCCC(N)C(C)C 34a_100161115045_100011201679 [0,1,0,0,0,0|3,0,0]=4 4694 B11R0.42 CSCCOCCC(N)C(C)C 34a_100161115045_100000212216 [0,1,0,0,0,0|3,0,0]=4 4695 B11R0.42 C[C@@H](O)C(=O)CCCCCCF 1458a_100000717761_100015922095 [0,1,0,0,0,0|1,0,2]=4 4696 B11R0.42 C[C@@H](O)C(=O)CCCCCCO 1458a_100000717761_100000766143 [0,1,0,0,0,0|1,0,2]=4 4697 B11R0.42 C[C@H](O)C(=O)CCCCCCF 1458a_217856618621_100015922095 [0,1,0,0,0,0|1,0,2]=4 4698 B11R0.42 C[C@H](O)C(=O)CCCCCCO 1458a_217856618621_100000766143 [0,1,0,0,0,0|1,0,2]=4 4699 B11R0.49 CCC(C)(C)COCCCCF 7a_100000765029_100000729493 [0,1,0,0,0,0|3,0,0]=4 4700 B11R0.49 CCC(C)(C)COCCCCO 7a_100000765029_100000210776 [0,1,0,0,0,0|3,0,0]=4 4701 B11R0.49 CCC(C)(C)COCCCOC 7a_100000765029_100000740836 [0,1,0,0,0,0|3,0,0]=4 4702 B11R0.49 CCC(C)(C)NCCCCCF 2230a_100000211385_100000729378 [0,1,0,0,0,0|3,0,0]=4 4703 B11R0.49 CCC(C)(C)NCCCCCO 2230a_100000211385_100000746330 [0,1,0,0,0,0|3,0,0]=4 4704 B11R0.49 CCC(C)(C)NCCCCOC 2230a_100000211385_100000730899 [0,1,0,0,0,0|3,0,0]=4 4705 B11R0.49 CCC(C)(C)OCCCCCBr 7a_100000746331_100000210677 [0,1,0,0,0,0|3,0,0]=4 4706 B11R0.49 CCC(C)(C)OCCCCCCl 7a_100000746330_100000210677 [0,1,0,0,0,0|3,0,0]=4 4707 B11R0.49 CCC(C)(C)OCCCCCF 7a_100000210230_100000729378 [0,1,0,0,0,0|3,0,0]=4 4708 B11R0.49 CCC(C)(C)OCCCCCI 7a_200012148887_100000210677 [0,1,0,0,0,0|3,0,0]=4 4709 B11R0.49 CCC(C)(C)OCCCCCO 7a_100000210230_100000746330 [0,1,0,0,0,0|3,0,0]=4 4710 B11R0.49 CCC(C)(C)OCCCCOC 7a_100000210230_100000730899 [0,1,0,0,0,0|3,0,0]=4 4711 B11R0.49 CCC(C)(C)OCCCCSC 7a_100011217163_100000210677 [0,1,0,0,0,0|3,0,0]=4 4712 B11R0.49 CCC(C)(C)SCCCCCF 62a_100000032637_100000729378 [0,1,0,0,0,0|3,0,0]=4 4713 B11R0.49 CCC(C)(C)SCCCCCF 62a_100000729378_100000032637 [0,1,0,0,0,0|3,0,0]=4 4714 B11R0.49 CCC(C)(C)SCCCCCO 62a_100000032637_100000746330 [0,1,0,0,0,0|3,0,0]=4 4715 B11R0.49 CCC(C)(C)SCCCCCO 62a_100000746330_100000032637 [0,1,0,0,0,0|3,0,0]=4 4716 B11R0.49 CCC(C)(C)SCCCCOC 62a_100000032637_100000730899 [0,1,0,0,0,0|3,0,0]=4 4717 B11R0.49 CCC(C)(C)SCCCCOC 62a_100000730899_100000032637 [0,1,0,0,0,0|3,0,0]=4 4718 B11R0.49 CCCCCCCC(C)(C)NC 34a_100102657272_200000046972 [0,1,0,0,0,0|2,0,0]=3 4719 B11R0.49 CCCCCCCC(C)(C)NC 7a_106832991635_200000046972 [0,1,0,0,0,0|2,0,0]=3 4720 B11R0.49 CCCCCCCC(C)(C)OC 34a_100138415774_200000046972 [0,1,0,0,0,0|2,0,0]=3 4721 B11R0.49 CCCCCCCC(C)(C)SC 62a_200000046972_200000210301 [0,1,0,0,0,0|2,0,0]=3 4722 B11R0.49 CCCCCCCC(C)(C)SC 62a_200000210301_200000046972 [0,1,0,0,0,0|2,0,0]=3 4723 B11R0.49 CCCCCCCC(C)(C)S[13CH3] 62a_200000046972_200025704644 [0,1,0,0,0,0|2,0,0]=3 4724 B11R0.49 CCCCCCCC(C)(C)S[13CH3] 62a_200025704644_200000046972 [0,1,0,0,0,0|2,0,0]=3 4725 B11R0.49 CCCCCCNC(C)(C)CC 2230a_100000211385_100000210314 [0,1,0,0,0,0|2,0,0]=3 4726 B11R0.49 CCCCCCNC(C)(C)CO 2230a_100000210608_100000210314 [0,1,0,0,0,0|3,0,0]=4 4727 B11R0.49 CCCCCCNS(=O)(=O)CC 270084a_100000210581_100000211323 [0,1,0,0,0,0|2,0,1]=4 4728 B11R0.49 CCCCCCNS(=O)(=O)CC 274078a_100000210581_100000211323 [0,1,0,0,0,0|2,0,1]=4 4729 B11R0.49 CCCCCCNS(=O)(=O)CC 40a_100000210581_100000053943 [0,1,0,0,0,0|2,0,1]=4 4730 B11R0.49 CCCCCCOC(C)(C)CC 7a_100000210230_100000210314 [0,1,0,0,0,0|2,0,0]=3 4731 B11R0.49 CCCCCCOC(C)(C)CC 7a_100000210259_100000210677 [0,1,0,0,0,0|2,0,0]=3 4732 B11R0.49 CCCCCCOC(C)(C)CCl 7a_100000764493_100000210314 [0,1,0,0,0,0|3,0,0]=4 4733 B11R0.49 CCCCCCSC(C)(C)CC 62a_100000032637_100000210757 [0,1,0,0,0,0|2,0,0]=3 4734 B11R0.49 CCCCCCSC(C)(C)CC 62a_100000210314_100000032637 [0,1,0,0,0,0|2,0,0]=3 4735 B11R0.49 CCCCCCSC(F)(F)CO 62a_100000210314_100011217949 [0,1,0,0,0,0|3,0,0]=4 4736 B11R0.49 CCCCCCSC(F)(F)CO 62a_100011217949_100000210757 [0,1,0,0,0,0|3,0,0]=4 4737 B11R0.49 CCCCCNCC(C)(C)CO 2230a_100020635058_100000210326 [0,1,0,0,0,0|3,0,0]=4 4738 B11R0.49 CCCCCNCC(C)(C)OC 2230a_100000763424_100000210326 [0,1,0,0,0,0|3,0,0]=4 4739 B11R0.49 CCCCCNCC(C)(C)SC 270004a_100000209983_100009845794 [0,1,0,0,0,0|3,0,0]=4 4740 B11R0.49 CCCCCOCC(C)(C)CC 7a_100000765029_100000210326 [0,1,0,0,0,0|2,0,0]=3 4741 B11R0.49 CCCCCOCC(C)(C)CCl 7a_100011217199_100000210326 [0,1,0,0,0,0|3,0,0]=4 4742 B11R0.49 CCCCCOCC(C)(C)CO 34a_100000210253_100009813988 [0,1,0,0,0,0|3,0,0]=4 4743 B11R0.49 CCCCCOCC(C)(C)CO 7a_100000210253_100009813988 [0,1,0,0,0,0|3,0,0]=4 4744 B11R0.49 CCCCCOCC(C)(C)OC 34a_100000210253_100000701081 [0,1,0,0,0,0|3,0,0]=4 4745 B11R0.49 CCCCCOCC(F)(F)CN 34a_100000703232_100000718602 [0,1,0,0,0,0|3,0,0]=4 4746 B11R0.49 CCCCCSCC(C)(C)CO 62a_100000210326_100009813988 [0,1,0,0,0,0|3,0,0]=4 4747 B11R0.49 CCCCCSCC(C)(C)CO 62a_100009813988_100000210326 [0,1,0,0,0,0|3,0,0]=4 4748 B11R0.49 CCCCCSCC(C)(C)OC 62a_100000210326_100000701081 [0,1,0,0,0,0|3,0,0]=4 4749 B11R0.49 CCCCCSCC(C)(C)OC 62a_100000701081_100000210326 [0,1,0,0,0,0|3,0,0]=4 4750 B11R0.49 CCCCNCCS(=O)(=O)CC 2230a_100000102301_100000756660 [0,1,0,0,0,0|2,0,1]=4 4751 B11R0.49 CCCCNCCS(=O)(=O)CC 2230a_100000751051_100000210211 [0,1,0,0,0,0|2,0,1]=4 4752 B11R0.49 CCCCNCCS(=O)(=O)CC 34a_100000751051_100000210210 [0,1,0,0,0,0|2,0,1]=4 4753 B11R0.49 CCCCNCCS(=O)(=O)CC 7a_106832991798_100000756660 [0,1,0,0,0,0|2,0,1]=4 4754 B11R0.49 CCCCOCCC(C)(C)OC 7a_100000699976_100000210211 [0,1,0,0,0,0|3,0,0]=4 4755 B11R0.49 CCCCOCCS(=O)(=O)CC 34a_100000210227_100000756660 [0,1,0,0,0,0|2,0,1]=4 4756 B11R0.49 CCCCOCCS(=O)(=O)CC 34a_200011216379_100000210210 [0,1,0,0,0,0|2,0,1]=4 4757 B11R0.49 CCCCOCCS(=O)(=O)CC 7a_100000210227_100000756660 [0,1,0,0,0,0|2,0,1]=4 4758 B11R0.49 CCCCOCCS(=O)(=O)CC 7a_200011216379_100000210211 [0,1,0,0,0,0|2,0,1]=4 4759 B11R0.49 CCCCOCNC(C)(C)CC 2230a_100000211385_100011995733 [0,1,0,0,0,0|3,0,0]=4 4760 B11R0.49 CCCCOCSC(C)(C)CC 62a_100000032637_100011995733 [0,1,0,0,0,0|3,0,0]=4 4761 B11R0.49 CCCCOCSC(C)(C)CC 62a_100011995733_100000032637 [0,1,0,0,0,0|3,0,0]=4 4762 B11R0.49 CCCCSCCS(=O)(=O)CC 62a_100000210211_100000756660 [0,1,0,0,0,0|2,0,1]=4 4763 B11R0.49 CCCCSCCS(=O)(=O)CC 62a_100000756660_100000210210 [0,1,0,0,0,0|2,0,1]=4 4764 B11R0.49 CCCNCCCC(C)(C)CO 2230a_100000039164_100000210303 [0,1,0,0,0,0|3,0,0]=4 4765 B11R0.49 CCCOCCNC(C)(C)CC 2230a_100000211385_100011215938 [0,1,0,0,0,0|3,0,0]=4 4766 B11R0.49 CCCOCCOC(C)(C)CC 7a_100000210230_100011215938 [0,1,0,0,0,0|3,0,0]=4 4767 B11R0.49 CCCOCCOC(C)(C)CC 7a_100000752267_100000210677 [0,1,0,0,0,0|3,0,0]=4 4768 B11R0.49 CCCOCCSC(C)(C)CC 62a_100000032637_100011215938 [0,1,0,0,0,0|3,0,0]=4 4769 B11R0.49 CCCOCCSC(C)(C)CC 62a_100011215938_100000032637 [0,1,0,0,0,0|3,0,0]=4 4770 B11R0.49 CCCSCCOC(C)(C)CC 7a_200000230433_100000210677 [0,1,0,0,0,0|3,0,0]=4 4771 B11R0.49 CCOCCCNC(C)(C)CC 2230a_100000211385_100012232248 [0,1,0,0,0,0|3,0,0]=4 4772 B11R0.49 CCOCCCOC(C)(C)CC 7a_100000210230_100012232248 [0,1,0,0,0,0|3,0,0]=4 4773 B11R0.49 CCOCCCOC(C)(C)CC 7a_100000757476_100000210677 [0,1,0,0,0,0|3,0,0]=4 4774 B11R0.49 CCOCCCSC(C)(C)CC 62a_100000032637_100012232248 [0,1,0,0,0,0|3,0,0]=4 4775 B11R0.49 CCOCCCSC(C)(C)CC 62a_100012232248_100000032637 [0,1,0,0,0,0|3,0,0]=4 4776 B11R0.49 CCOCCOCC(C)(C)CC 7a_100000765029_100011215890 [0,1,0,0,0,0|3,0,0]=4 4777 B11R0.49 CCSCCCOC(C)(C)CC 7a_100011216438_100000210677 [0,1,0,0,0,0|3,0,0]=4 4778 B11R0.49 CCSCCOCC(C)(C)CC 7a_100000765029_100000757381 [0,1,0,0,0,0|3,0,0]=4 4779 B11R0.70 C=CC(O)CNC(C)CCCC 2230a_100000126638_100000730141 [0,1,0,0,0,0|1,0,2]=4 4780 B11R0.70 C=CC(O)COC(C)CCCC 34a_100000687866_100000730141 [0,1,0,0,0,0|1,0,2]=4 4781 B11R0.70 C=CC(O)COC(C)CCCC 7a_100000687866_100000730141 [0,1,0,0,0,0|1,0,2]=4 4782 B11R0.70 C=CC(O)CSC(C)CCCC 62a_100000730141_200011215066 [0,1,0,0,0,0|1,0,2]=4 4783 B11R0.70 C=CC(O)CSC(C)CCCC 62a_200011215066_100000730141 [0,1,0,0,0,0|1,0,2]=4 4784 B11R0.70 C=CCCC(C)NCC(O)CC 270004a_100011218483_100000762624 [0,1,0,0,0,0|1,0,2]=4 4785 B11R0.70 C=CCCC(C)OCC(O)CC 34a_100000765329_100011218378 [0,1,0,0,0,0|1,0,2]=4 4786 B11R0.70 C=CCCC(C)OCC(O)CC 7a_100000765329_100011218378 [0,1,0,0,0,0|1,0,2]=4 4787 B11R0.70 CC(CCCCl)OCC(O)CO 34a_200000718107_100011219619 [0,1,0,0,0,0|3,0,0]=4 4788 B11R0.70 CC(CCCCl)OCC(O)CO 7a_200000718107_100011219619 [0,1,0,0,0,0|3,0,0]=4 4789 B11R0.70 CC(CCCCl)OC[C@@H](O)CF 34a_200000718107_100015614560 [0,1,0,0,0,0|3,0,0]=4 4790 B11R0.70 CC(CCCCl)OC[C@@H](O)CF 7a_200000718107_100015614560 [0,1,0,0,0,0|3,0,0]=4 4791 B11R0.70 CC(CCCCl)OC[C@@H](O)CO 34a_200000718107_100009815848 [0,1,0,0,0,0|3,0,0]=4 4792 B11R0.70 CC(CCCCl)OC[C@@H](O)CO 7a_200000718107_100009815848 [0,1,0,0,0,0|3,0,0]=4 4793 B11R0.70 CCC#CC(C)OCC(O)CC 34a_100000033903_100011218378 [0,1,0,0,0,0|1,0,2]=4 4794 B11R0.70 CCC#CC(C)OCC(O)CC 7a_100000033903_100011218378 [0,1,0,0,0,0|1,0,2]=4 4795 B11R0.70 CCC(C)CCC(=O)CCCF 1458a_100000701222_100011934791 [0,1,0,0,0,0|2,0,1]=4 4796 B11R0.70 CCC(C)CCC(=O)CCCO 1458a_100000701222_100011215043 [0,1,0,0,0,0|2,0,1]=4 4797 B11R0.70 CCC(C)CCC(=O)CCOC 1458a_100000701222_100000233755 [0,1,0,0,0,0|2,0,1]=4 4798 B11R0.70 CCC(C)CCC(=O)CCSC 1458a_100000701222_100000751147 [0,1,0,0,0,0|2,0,1]=4 4799 B11R0.70 CCC(C)CCC(C)OCCF 7a_200011216552_100011217306 [0,1,0,0,0,0|3,0,0]=4 4800 B11R0.70 CCC(C)CCC(C)OCCO 7a_200011216552_100000211926 [0,1,0,0,0,0|3,0,0]=4 4801 B11R0.70 CCC(C)CNC(C)CCOC 270004a_100020588543_100000742357 [0,1,0,0,0,0|3,0,0]=4 4802 B11R0.70 CCC(C)CNC(C)CCSC 270004a_100020588543_100011217047 [0,1,0,0,0,0|3,0,0]=4 4803 B11R0.70 CCC(C)COC(C)CCCCl 34a_200000718107_100000748023 [0,1,0,0,0,0|3,0,0]=4 4804 B11R0.70 CCC(C)COC(C)CCCCl 7a_200000718107_100000748023 [0,1,0,0,0,0|3,0,0]=4 4805 B11R0.70 CCC(C)NC[C@H](C)CCCO 2230a_100160569302_100000758301 [0,1,0,0,0,0|3,0,0]=4 4806 B11R0.70 CCC(C)NC[C@H](C)CCCO 34a_100160569302_100011215416 [0,1,0,0,0,0|3,0,0]=4 4807 B11R0.70 CCC(C)OC[C@@H](N)CCSC 34a_100011827619_100011215416 [0,1,0,0,0,0|3,0,0]=4 4808 B11R0.70 CCC(O)CCC(=O)NCCF 1626a_100000724931_203496584001 [0,1,0,0,0,0|2,0,1]=4 4809 B11R0.70 CCC(O)CCC(=O)NCCF 240690a_100000724931_203496584001 [0,1,0,0,0,0|2,0,1]=4 4810 B11R0.70 CCC(O)CCC(=O)NCCO 240690a_100000210304_203496584001 [0,1,0,0,0,0|2,0,1]=4 4811 B11R0.70 CCC(O)CNC(=O)CCOC 11a_100011218483_100000749529 [0,1,0,0,0,0|2,0,1]=4 4812 B11R0.70 CCC(O)CNC(=O)CCOC 240690a_100011218483_100000749529 [0,1,0,0,0,0|2,0,1]=4 4813 B11R0.70 CCC(O)CNC(=O)CCOC 527a_100011218483_100000749529 [0,1,0,0,0,0|2,0,1]=4 4814 B11R0.70 CCC(O)CNC(=O)CCSC 11a_100011218483_100000174002 [0,1,0,0,0,0|2,0,1]=4 4815 B11R0.70 CCC(O)CNC(=O)CCSC 240690a_100011218483_100000174002 [0,1,0,0,0,0|2,0,1]=4 4816 B11R0.70 CCC(O)CNC(=O)CCSC 527a_100011218483_100000174002 [0,1,0,0,0,0|2,0,1]=4 4817 B11R0.70 CCC(O)CNC(C)CCOC 270004a_100011218483_100000742357 [0,1,0,0,0,0|2,0,0]=3 4818 B11R0.70 CCC(O)CNC(C)CCSC 270004a_100011218483_100011217047 [0,1,0,0,0,0|2,0,0]=3 4819 B11R0.70 CCC(O)COC(C)CCCCl 34a_200000718107_100011218378 [0,1,0,0,0,0|2,0,0]=3 4820 B11R0.70 CCC(O)COC(C)CCCCl 7a_200000718107_100011218378 [0,1,0,0,0,0|2,0,0]=3 4821 B11R0.70 CCCCC(=O)CCC(C)CC 1458a_100000701222_100000210211 [0,1,0,0,0,0|1,0,1]=3 4822 B11R0.70 CCCCC(=O)CCN(C)CC 1458a_100000755305_100000210211 [0,1,0,0,0,0|2,0,1]=4 4823 B11R0.70 CCCCC(=O)CCS(=O)CC 1458a_100011387550_100000210211 [0,1,0,0,0,0|1,0,2]=4 4824 B11R0.70 CCCCC(=O)NCC(C)CC 11a_100020588543_100000210183 [0,1,0,0,0,0|2,0,1]=4 4825 B11R0.70 CCCCC(=O)NCC(C)CC 1626a_100020588543_100000210183 [0,1,0,0,0,0|2,0,1]=4 4826 B11R0.70 CCCCC(=O)NCC(C)CC 240690a_100020588543_100000210183 [0,1,0,0,0,0|2,0,1]=4 4827 B11R0.70 CCCCC(=O)NCC(C)CC 527a_100020588543_100000210183 [0,1,0,0,0,0|2,0,1]=4 4828 B11R0.70 CCCCC(=O)NCC(O)CC 11a_100011218483_100000210183 [0,1,0,0,0,0|1,0,1]=3 4829 B11R0.70 CCCCC(=O)NCC(O)CC 240690a_100011218483_100000210183 [0,1,0,0,0,0|1,0,1]=3 4830 B11R0.70 CCCCC(=O)NCC(O)CC 527a_100011218483_100000210183 [0,1,0,0,0,0|1,0,1]=3 4831 B11R0.70 CCCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000210183 [0,1,0,0,0,0|2,0,1]=4 4832 B11R0.70 CCCCC(=O)NC[C@H](O)CO 527a_100020644852_100000210183 [0,1,0,0,0,0|2,0,1]=4 4833 B11R0.70 CCCCC(C)CCC(=O)CC 1458a_100000033779_100000210202 [0,1,0,0,0,0|0,0,2]=3 4834 B11R0.70 CCCCC(C)CCC(=O)CF 1458a_100000033779_100015361967 [0,1,0,0,0,0|1,0,2]=4 4835 B11R0.70 CCCCC(C)CCC(=O)NC 11a_106832991635_100000033779 [0,1,0,0,0,0|1,0,2]=4 4836 B11R0.70 CCCCC(C)CCC(=O)NC 1626a_100102657272_100000033779 [0,1,0,0,0,0|1,0,2]=4 4837 B11R0.70 CCCCC(C)CCC(=O)NC 240690a_100102657272_100000033779 [0,1,0,0,0,0|1,0,2]=4 4838 B11R0.70 CCCCC(C)CCC(=O)NC 527a_100102657272_100000033779 [0,1,0,0,0,0|1,0,2]=4 4839 B11R0.70 CCCCC(C)COC(C)CC 34a_100011995851_100011215416 [0,1,0,0,0,0|2,0,0]=3 4840 B11R0.70 CCCCC(C)COC(C)CC 7a_100011995851_100000758301 [0,1,0,0,0,0|2,0,0]=3 4841 B11R0.70 CCCCC(C)COC(C)CO 34a_100011995851_100012180447 [0,1,0,0,0,0|3,0,0]=4 4842 B11R0.70 CCCCC(C)COC(C)CO 7a_100011995851_100012180447 [0,1,0,0,0,0|3,0,0]=4 4843 B11R0.70 CCCCC(C)NCC(C)CC 2230a_100000126638_100000748023 [0,1,0,0,0,0|2,0,0]=3 4844 B11R0.70 CCCCC(C)NCC(C)CC 2230a_100020588543_200011215066 [0,1,0,0,0,0|2,0,0]=3 4845 B11R0.70 CCCCC(C)NCC(C)CC 270004a_100000126638_100000243153 [0,1,0,0,0,0|2,0,0]=3 4846 B11R0.70 CCCCC(C)NCC(C)CC 270004a_100020588543_100000210087 [0,1,0,0,0,0|2,0,0]=3 4847 B11R0.70 CCCCC(C)NCC(C)CO 34a_100000744482_200011215066 [0,1,0,0,0,0|3,0,0]=4 4848 B11R0.70 CCCCC(C)NCC(O)CC 2230a_100000126638_100011218378 [0,1,0,0,0,0|1,0,0]=2 4849 B11R0.70 CCCCC(C)NCC(O)CC 2230a_100011218483_200011215066 [0,1,0,0,0,0|1,0,0]=2 4850 B11R0.70 CCCCC(C)NCC(O)CC 270004a_100011218483_100000210087 [0,1,0,0,0,0|1,0,0]=2 4851 B11R0.70 CCCCC(C)NCC(O)CO 2230a_100000126638_100011219619 [0,1,0,0,0,0|2,0,0]=3 4852 B11R0.70 CCCCC(C)NC[C@@H](C)CC 2230a_100000126638_100009816398 [0,1,0,0,0,0|2,0,0]=3 4853 B11R0.70 CCCCC(C)NC[C@@H](C)CO 2230a_100000126638_100000059175 [0,1,0,0,0,0|3,0,0]=4 4854 B11R0.70 CCCCC(C)NC[C@@H](C)OC 2230a_100020591295_200011215066 [0,1,0,0,0,0|3,0,0]=4 4855 B11R0.70 CCCCC(C)NC[C@@H](C)OC 270004a_100020591295_100000210087 [0,1,0,0,0,0|3,0,0]=4 4856 B11R0.70 CCCCC(C)NC[C@@H](F)CO 270004a_100015665980_100000210087 [0,1,0,0,0,0|3,0,0]=4 4857 B11R0.70 CCCCC(C)NC[C@@H](F)CO 34a_100015665980_200011215066 [0,1,0,0,0,0|3,0,0]=4 4858 B11R0.70 CCCCC(C)NC[C@@H](O)CF 2230a_100000126638_100015614560 [0,1,0,0,0,0|2,0,0]=3 4859 B11R0.70 CCCCC(C)NC[C@@H](O)CO 2230a_100000126638_100009815848 [0,1,0,0,0,0|2,0,0]=3 4860 B11R0.70 CCCCC(C)NC[C@H](O)CO 2230a_100020644852_200011215066 [0,1,0,0,0,0|2,0,0]=3 4861 B11R0.70 CCCCC(C)OCC(=O)CC 34a_100000725409_200011215066 [0,1,0,0,0,0|1,0,2]=4 4862 B11R0.70 CCCCC(C)OCC(=O)CC 7a_100000687866_100000747405 [0,1,0,0,0,0|1,0,2]=4 4863 B11R0.70 CCCCC(C)OCC(C)CC 34a_100000687866_100000748023 [0,1,0,0,0,0|2,0,0]=3 4864 B11R0.70 CCCCC(C)OCC(C)CC 7a_100000687866_100000748023 [0,1,0,0,0,0|2,0,0]=3 4865 B11R0.70 CCCCC(C)OCC(C)CN 34a_100000744482_200011215066 [0,1,0,0,0,0|3,0,0]=4 4866 B11R0.70 CCCCC(C)OCC(C)OC 34a_100000690652_200011215066 [0,1,0,0,0,0|3,0,0]=4 4867 B11R0.70 CCCCC(C)OCC(Cl)CCl 34a_100000033668_200011215066 [0,1,0,0,0,0|3,0,0]=4 4868 B11R0.70 CCCCC(C)OCC(O)CC 34a_100000687866_100011218378 [0,1,0,0,0,0|1,0,0]=2 4869 B11R0.70 CCCCC(C)OCC(O)CC 7a_100000687866_100011218378 [0,1,0,0,0,0|1,0,0]=2 4870 B11R0.70 CCCCC(C)OCC(O)CO 34a_100000687866_100011219619 [0,1,0,0,0,0|2,0,0]=3 4871 B11R0.70 CCCCC(C)OCC(O)CO 7a_100000687866_100011219619 [0,1,0,0,0,0|2,0,0]=3 4872 B11R0.70 CCCCC(C)OC[C@@H](C)CC 34a_100000687866_100009816398 [0,1,0,0,0,0|2,0,0]=3 4873 B11R0.70 CCCCC(C)OC[C@@H](C)CC 7a_100000687866_100009816398 [0,1,0,0,0,0|2,0,0]=3 4874 B11R0.70 CCCCC(C)OC[C@@H](C)CC 7a_100009816381_200011215066 [0,1,0,0,0,0|2,0,0]=3 4875 B11R0.70 CCCCC(C)OC[C@@H](C)CO 34a_100000687866_100000059175 [0,1,0,0,0,0|3,0,0]=4 4876 B11R0.70 CCCCC(C)OC[C@@H](C)CO 7a_100000687866_100000059175 [0,1,0,0,0,0|3,0,0]=4 4877 B11R0.70 CCCCC(C)OC[C@@H](O)CF 34a_100000687866_100015614560 [0,1,0,0,0,0|2,0,0]=3 4878 B11R0.70 CCCCC(C)OC[C@@H](O)CF 7a_100000687866_100015614560 [0,1,0,0,0,0|2,0,0]=3 4879 B11R0.70 CCCCC(C)OC[C@@H](O)CO 34a_100000687866_100009815848 [0,1,0,0,0,0|2,0,0]=3 4880 B11R0.70 CCCCC(C)OC[C@@H](O)CO 7a_100000687866_100009815848 [0,1,0,0,0,0|2,0,0]=3 4881 B11R0.70 CCCCC(C)OC[C@H](F)CN 34a_100015665980_200011215066 [0,1,0,0,0,0|3,0,0]=4 4882 B11R0.70 CCCCC(C)SCC(=O)CC 62a_100000747405_200011215066 [0,1,0,0,0,0|1,0,2]=4 4883 B11R0.70 CCCCC(C)SCC(=O)CC 62a_200011215066_100000747405 [0,1,0,0,0,0|1,0,2]=4 4884 B11R0.70 CCCCC(C)SCC(C)CC 62a_100000748023_200011215066 [0,1,0,0,0,0|2,0,0]=3 4885 B11R0.70 CCCCC(C)SCC(C)CC 62a_200011215066_100000748023 [0,1,0,0,0,0|2,0,0]=3 4886 B11R0.70 CCCCC(C)SCC(O)CC 62a_100011218378_200011215066 [0,1,0,0,0,0|1,0,0]=2 4887 B11R0.70 CCCCC(C)SCC(O)CC 62a_200011215066_100011218378 [0,1,0,0,0,0|1,0,0]=2 4888 B11R0.70 CCCCC(C)SCC(O)CO 62a_100011219619_200011215066 [0,1,0,0,0,0|2,0,0]=3 4889 B11R0.70 CCCCC(C)SCC(O)CO 62a_200011215066_100011219619 [0,1,0,0,0,0|2,0,0]=3 4890 B11R0.70 CCCCC(C)SC[C@@H](C)CC 62a_100009816398_200011215066 [0,1,0,0,0,0|2,0,0]=3 4891 B11R0.70 CCCCC(C)SC[C@@H](C)CC 62a_200011215066_100009816398 [0,1,0,0,0,0|2,0,0]=3 4892 B11R0.70 CCCCC(C)SC[C@@H](C)CO 62a_100000059175_200011215066 [0,1,0,0,0,0|3,0,0]=4 4893 B11R0.70 CCCCC(C)SC[C@@H](C)CO 62a_200011215066_100000059175 [0,1,0,0,0,0|3,0,0]=4 4894 B11R0.70 CCCCC(C)SC[C@@H](O)CF 62a_100015614560_200011215066 [0,1,0,0,0,0|2,0,0]=3 4895 B11R0.70 CCCCC(C)SC[C@@H](O)CF 62a_200011215066_100015614560 [0,1,0,0,0,0|2,0,0]=3 4896 B11R0.70 CCCCC(C)SC[C@@H](O)CO 62a_100009815848_200011215066 [0,1,0,0,0,0|2,0,0]=3 4897 B11R0.70 CCCCC(C)SC[C@@H](O)CO 62a_200011215066_100009815848 [0,1,0,0,0,0|2,0,0]=3 4898 B11R0.70 CCCC[C@H](N)COC(C)CC 34a_100011934283_100011215416 [0,1,0,0,0,0|2,0,0]=3 4899 B11R0.70 CCCC[C@H](N)COC(C)CO 34a_100011934283_100012180447 [0,1,0,0,0,0|3,0,0]=4 4900 B11R0.70 CCCNC(=O)CCC(C)CC 11a_100020643023_100000701222 [0,1,0,0,0,0|2,0,1]=4 4901 B11R0.70 CCCNC(=O)CCC(C)CC 1626a_100020643023_100000701222 [0,1,0,0,0,0|2,0,1]=4 4902 B11R0.70 CCCNC(=O)CCC(C)CC 240690a_100020643023_100000701222 [0,1,0,0,0,0|2,0,1]=4 4903 B11R0.70 CCCNC(=O)CCC(C)CC 527a_100020643023_100000701222 [0,1,0,0,0,0|2,0,1]=4 4904 B11R0.70 CCCNC(=O)CCC(O)CC 1626a_100020643023_203496584001 [0,1,0,0,0,0|1,0,1]=3 4905 B11R0.70 CCCNC(=O)CCC(O)CC 240690a_100020643023_203496584001 [0,1,0,0,0,0|1,0,1]=3 4906 B11R0.70 CCCNC(=O)NCC(O)CC 2708a_100020643023_100011218483 [0,1,0,0,0,0|2,0,1]=4 4907 B11R0.70 CCCNC(=O)NCC(O)CC 273464a_100011218483_100020643023 [0,1,0,0,0,0|2,0,1]=4 4908 B11R0.70 CCCNC(=O)NCC(O)CC 273464a_100020643023_100011218483 [0,1,0,0,0,0|2,0,1]=4 4909 B11R0.70 CCCNC(=O)NCC(O)CC 512a_100011218483_100020643023 [0,1,0,0,0,0|2,0,1]=4 4910 B11R0.70 CCCOC(C)CCC(C)CC 7a_200011216552_100000210303 [0,1,0,0,0,0|2,0,0]=3 4911 B11R0.70 CCCOC(C)CNC(C)CC 2230a_100015185124_100000758301 [0,1,0,0,0,0|3,0,0]=4 4912 B11R0.70 CCCOC(C)CNC(C)CC 34a_100015185124_100011215416 [0,1,0,0,0,0|3,0,0]=4 4913 B11R0.70 CCNNC(=O)CCC(O)CC 22a_100000756455_203496584001 [0,1,0,0,0,0|2,0,1]=4 4914 B11R0.70 CCOCC(=O)NCC(O)CC 11a_100011218483_100000211967 [0,1,0,0,0,0|2,0,1]=4 4915 B11R0.70 CCOCC(=O)NCC(O)CC 240690a_100011218483_100000211967 [0,1,0,0,0,0|2,0,1]=4 4916 B11R0.70 CCOCC(=O)NCC(O)CC 527a_100011218483_100000211967 [0,1,0,0,0,0|2,0,1]=4 4917 B11R0.70 CCOCC(C)OCC(C)CC 34a_100000718985_100000748023 [0,1,0,0,0,0|3,0,0]=4 4918 B11R0.70 CCOCC(C)OCC(C)CC 7a_100000718985_100000748023 [0,1,0,0,0,0|3,0,0]=4 4919 B11R0.70 CCOCC(C)OCC(O)CC 34a_100000718985_100011218378 [0,1,0,0,0,0|2,0,0]=3 4920 B11R0.70 CCOCC(C)OCC(O)CC 7a_100000718985_100011218378 [0,1,0,0,0,0|2,0,0]=3 4921 B11R0.70 CCOCC(C)OCC(O)CO 34a_100000718985_100011219619 [0,1,0,0,0,0|3,0,0]=4 4922 B11R0.70 CCOCC(C)OCC(O)CO 7a_100000718985_100011219619 [0,1,0,0,0,0|3,0,0]=4 4923 B11R0.70 CCOCC(C)OC[C@@H](C)CC 34a_100000718985_100009816398 [0,1,0,0,0,0|3,0,0]=4 4924 B11R0.70 CCOCC(C)OC[C@@H](C)CC 7a_100000718985_100009816398 [0,1,0,0,0,0|3,0,0]=4 4925 B11R0.70 CCOCC(C)OC[C@@H](O)CF 34a_100000718985_100015614560 [0,1,0,0,0,0|3,0,0]=4 4926 B11R0.70 CCOCC(C)OC[C@@H](O)CF 7a_100000718985_100015614560 [0,1,0,0,0,0|3,0,0]=4 4927 B11R0.70 CCOCC(C)OC[C@@H](O)CO 34a_100000718985_100009815848 [0,1,0,0,0,0|3,0,0]=4 4928 B11R0.70 CCOCC(C)OC[C@@H](O)CO 7a_100000718985_100009815848 [0,1,0,0,0,0|3,0,0]=4 4929 B11R0.70 CCOCC(O)CNC(C)CC 2230a_102515437182_100000758301 [0,1,0,0,0,0|3,0,0]=4 4930 B11R0.70 CCOCC(O)CNC(C)CC 34a_102515437182_100011215416 [0,1,0,0,0,0|3,0,0]=4 4931 B11R0.70 CCSCC(=O)NCC(O)CC 11a_100011218483_100000230394 [0,1,0,0,0,0|2,0,1]=4 4932 B11R0.70 CCSCC(=O)NCC(O)CC 240690a_100011218483_100000230394 [0,1,0,0,0,0|2,0,1]=4 4933 B11R0.70 CCSCC(=O)NCC(O)CC 527a_100011218483_100000230394 [0,1,0,0,0,0|2,0,1]=4 4934 B11R0.70 CCSCC(C)NCC(C)CC 270004a_100020588543_200011216171 [0,1,0,0,0,0|3,0,0]=4 4935 B11R0.70 CCSCC(C)NCC(O)CC 270004a_100011218483_200011216171 [0,1,0,0,0,0|2,0,0]=3 4936 B11R0.70 CC[C@H](C)COC(C)CCCCl 34a_200000718107_100009816398 [0,1,0,0,0,0|3,0,0]=4 4937 B11R0.70 CC[C@H](C)COC(C)CCCCl 7a_200000718107_100009816398 [0,1,0,0,0,0|3,0,0]=4 4938 B11R0.106 C=CC(O)CNCCC(C)CC 2230a_100020591266_100000730141 [0,1,0,0,0,0|1,0,2]=4 4939 B11R0.106 C=CC(O)COCCC(C)CC 7a_100011215188_100000730141 [0,1,0,0,0,0|1,0,2]=4 4940 B11R0.106 CC(CO)CCNCC(O)CO 2230a_106354213184_100011219619 [0,1,0,0,0,0|3,0,0]=4 4941 B11R0.106 CC(CO)CCNCC(O)CO 34a_106354213184_100011219619 [0,1,0,0,0,0|3,0,0]=4 4942 B11R0.106 CC(CO)CCNC[C@@H](O)CF 2230a_106354213184_100015614560 [0,1,0,0,0,0|3,0,0]=4 4943 B11R0.106 CC(CO)CCNC[C@@H](O)CF 34a_106354213184_100015614560 [0,1,0,0,0,0|3,0,0]=4 4944 B11R0.106 CC(CO)CCNC[C@@H](O)CO 2230a_106354213184_100009815848 [0,1,0,0,0,0|3,0,0]=4 4945 B11R0.106 CC(CO)CCNC[C@@H](O)CO 34a_106354213184_100009815848 [0,1,0,0,0,0|3,0,0]=4 4946 B11R0.106 CCC(=O)COCCC(C)CC 7a_100011215188_100000747405 [0,1,0,0,0,0|1,0,2]=4 4947 B11R0.106 CCC(C)C=NNCC(O)CC 4a_100015206393_100000243153 [0,1,0,0,0,0|2,0,1]=4 4948 B11R0.106 CCC(C)CCCOC(C)CC 7a_100011216074_100000758301 [0,1,0,0,0,0|2,0,0]=3 4949 B11R0.106 CCC(C)CCCOC(C)CO 7a_100011216074_100012180447 [0,1,0,0,0,0|3,0,0]=4 4950 B11R0.106 CCC(C)CCNCC(C)CC 2230a_100020591266_100000748023 [0,1,0,0,0,0|2,0,0]=3 4951 B11R0.106 CCC(C)CCNCC(C)CC 270004a_100020591266_100000243153 [0,1,0,0,0,0|2,0,0]=3 4952 B11R0.106 CCC(C)CCNCC(O)CC 2230a_100020591266_100011218378 [0,1,0,0,0,0|1,0,0]=2 4953 B11R0.106 CCC(C)CCNCC(O)CO 2230a_100020591266_100011219619 [0,1,0,0,0,0|2,0,0]=3 4954 B11R0.106 CCC(C)CCNC[C@@H](C)CC 2230a_100020591266_100009816398 [0,1,0,0,0,0|2,0,0]=3 4955 B11R0.106 CCC(C)CCNC[C@@H](C)CO 2230a_100020591266_100000059175 [0,1,0,0,0,0|3,0,0]=4 4956 B11R0.106 CCC(C)CCNC[C@@H](O)CF 2230a_100020591266_100015614560 [0,1,0,0,0,0|2,0,0]=3 4957 B11R0.106 CCC(C)CCNC[C@@H](O)CO 2230a_100020591266_100009815848 [0,1,0,0,0,0|2,0,0]=3 4958 B11R0.106 CCC(C)CCOCC(C)CC 7a_100011215188_100000748023 [0,1,0,0,0,0|2,0,0]=3 4959 B11R0.106 CCC(C)CCOCC(O)CC 7a_100011215188_100011218378 [0,1,0,0,0,0|1,0,0]=2 4960 B11R0.106 CCC(C)CCOCC(O)CO 7a_100011215188_100011219619 [0,1,0,0,0,0|2,0,0]=3 4961 B11R0.106 CCC(C)CCOC[C@@H](C)CC 7a_100011215188_100009816398 [0,1,0,0,0,0|2,0,0]=3 4962 B11R0.106 CCC(C)CCOC[C@@H](C)CO 7a_100011215188_100000059175 [0,1,0,0,0,0|3,0,0]=4 4963 B11R0.106 CCC(C)CCOC[C@@H](O)CF 7a_100011215188_100015614560 [0,1,0,0,0,0|2,0,0]=3 4964 B11R0.106 CCC(C)CCOC[C@@H](O)CO 7a_100011215188_100009815848 [0,1,0,0,0,0|2,0,0]=3 4965 B11R0.106 CCC(C)CNCCC(C)CO 2230a_106354213184_100000748023 [0,1,0,0,0,0|3,0,0]=4 4966 B11R0.106 CCC(C)CNCCC(C)CO 270004a_106354213184_100000243153 [0,1,0,0,0,0|3,0,0]=4 4967 B11R0.106 CCC(C)CNCCC(C)CO 34a_106354213184_100000748023 [0,1,0,0,0,0|3,0,0]=4 4968 B11R0.106 CCC(C)COCCC(C)OC 7a_100000764861_100000748023 [0,1,0,0,0,0|3,0,0]=4 4969 B11R0.106 CCC(C)NCCCN(C)CC 2230a_100000209981_100015186262 [0,1,0,0,0,0|3,0,0]=4 4970 B11R0.106 CCC(C)OCCCN(C)CC 7a_100000210228_100015186262 [0,1,0,0,0,0|3,0,0]=4 4971 B11R0.106 CCC(C)OCCC[C@@H](C)CN 34a_100160569302_100011215416 [0,1,0,0,0,0|3,0,0]=4 4972 B11R0.106 CCC(C)SCCCN(C)CC 62a_100000758301_100015186262 [0,1,0,0,0,0|3,0,0]=4 4973 B11R0.106 CCC(O)CNCCC(=O)NC 2230a_100000738227_100011218378 [0,1,0,0,0,0|2,0,1]=4 4974 B11R0.106 CCC(O)CNCCC(=O)NC 2230a_100011218483_100000737683 [0,1,0,0,0,0|2,0,1]=4 4975 B11R0.106 CCC(O)CNCCC(=O)NC 34a_100000738227_100011218378 [0,1,0,0,0,0|2,0,1]=4 4976 B11R0.106 CCC(O)CNCCC(=O)OC 2230a_100011218483_100000204255 [0,1,0,0,0,0|2,0,1]=4 4977 B11R0.106 CCC(O)CNCCC(C)CO 2230a_106354213184_100011218378 [0,1,0,0,0,0|2,0,0]=3 4978 B11R0.106 CCC(O)CNCCC(C)CO 34a_106354213184_100011218378 [0,1,0,0,0,0|2,0,0]=3 4979 B11R0.106 CCC(O)COCCC(=O)NC 34a_100000754576_100011218378 [0,1,0,0,0,0|2,0,1]=4 4980 B11R0.106 CCC(O)COCCC(C)OC 7a_100000764861_100011218378 [0,1,0,0,0,0|2,0,0]=3 4981 B11R0.106 CCC(O)CSCCC(=O)NC 62a_100000737683_100011218378 [0,1,0,0,0,0|2,0,1]=4 4982 B11R0.106 CCC(O)CSCCC(=O)NC 62a_100011218378_100000737683 [0,1,0,0,0,0|2,0,1]=4 4983 B11R0.106 CCC(O)CSCCC(=O)OC 62a_100000204255_100011218378 [0,1,0,0,0,0|2,0,1]=4 4984 B11R0.106 CCC(O)CSCCC(=O)OC 62a_100011218378_100000204255 [0,1,0,0,0,0|2,0,1]=4 4985 B11R0.106 CC[C@H](C)CNCCC(C)CO 2230a_106354213184_100009816398 [0,1,0,0,0,0|3,0,0]=4 4986 B11R0.106 CC[C@H](C)CNCCC(C)CO 34a_106354213184_100009816398 [0,1,0,0,0,0|3,0,0]=4 4987 B11R0.106 CC[C@H](C)COCCC(C)OC 7a_100000764861_100009816398 [0,1,0,0,0,0|3,0,0]=4 4988 B11R0.106 COC(C)CCOCC(O)CO 7a_100000764861_100011219619 [0,1,0,0,0,0|3,0,0]=4 4989 B11R0.106 COC(C)CCOC[C@@H](O)CF 7a_100000764861_100015614560 [0,1,0,0,0,0|3,0,0]=4 4990 B11R0.106 COC(C)CCOC[C@@H](O)CO 7a_100000764861_100009815848 [0,1,0,0,0,0|3,0,0]=4 4991 B11R0.111 C#CC(O)CCCCCC(=O)C 1458a_100000070787_200010408556 [0,1,0,0,0,0|0,0,3]=4 4992 B11R0.111 C#CC(O)CCCCCN(C)C 2230a_100102631434_200010408556 [0,1,0,0,0,0|1,0,2]=4 4993 B11R0.111 C#CC(O)CCCCCN(C)C 269982a_100102631434_200010408556 [0,1,0,0,0,0|1,0,2]=4 4994 B11R0.111 C=C(C)CCNCCC(C)CC 2230a_100020591266_100000730704 [0,1,0,0,0,0|2,0,1]=4 4995 B11R0.111 C=C(C)CCOCCC(C)CC 7a_100011215188_100000730704 [0,1,0,0,0,0|2,0,1]=4 4996 B11R0.111 C=C(C)COCCCC(C)CC 7a_100011216074_100000748629 [0,1,0,0,0,0|2,0,1]=4 4997 B11R0.111 C=CC(O)CNCCCC(C)C 2230a_200000737386_100000730141 [0,1,0,0,0,0|1,0,2]=4 4998 B11R0.111 C=CC(O)CNCCCC(C)C 34a_200000737386_100000730141 [0,1,0,0,0,0|1,0,2]=4 4999 B11R0.111 C=CC(O)COCCCC(C)C 34a_100000210774_100000730141 [0,1,0,0,0,0|1,0,2]=4 5000 B11R0.111 C=CC(O)COCCCC(C)C 7a_100000210774_100000730141 [0,1,0,0,0,0|1,0,2]=4 5001 B11R0.111 C=CC(O)CSCCCC(C)C 62a_100000730141_100011214892 [0,1,0,0,0,0|1,0,2]=4 5002 B11R0.111 C=CC(O)CSCCCC(C)C 62a_100011214892_100000730141 [0,1,0,0,0,0|1,0,2]=4 5003 B11R0.111 C=CC(O)CSCCCC(C)O 62a_100000730141_200000718107 [0,1,0,0,0,0|1,0,2]=4 5004 B11R0.111 C=CC(O)CSCCCC(C)O 62a_200000718107_100000730141 [0,1,0,0,0,0|1,0,2]=4 5005 B11R0.111 CC(=O)CCCOCC(O)CO 34a_100000759063_100011219619 [0,1,0,0,0,0|2,0,1]=4 5006 B11R0.111 CC(=O)CCCOCC(O)CO 7a_100000759063_100011219619 [0,1,0,0,0,0|2,0,1]=4 5007 B11R0.111 CC(=O)CCCOC[C@@H](O)CF 34a_100000759063_100015614560 [0,1,0,0,0,0|2,0,1]=4 5008 B11R0.111 CC(=O)CCCOC[C@@H](O)CF 7a_100000759063_100015614560 [0,1,0,0,0,0|2,0,1]=4 5009 B11R0.111 CC(=O)CCCOC[C@@H](O)CO 34a_100000759063_100009815848 [0,1,0,0,0,0|2,0,1]=4 5010 B11R0.111 CC(=O)CCCOC[C@@H](O)CO 7a_100000759063_100009815848 [0,1,0,0,0,0|2,0,1]=4 5011 B11R0.111 CC(=O)CCCSCC(O)CO 62a_100011215641_100011219619 [0,1,0,0,0,0|2,0,1]=4 5012 B11R0.111 CC(=O)CCCSCC(O)CO 62a_100011219619_100011215641 [0,1,0,0,0,0|2,0,1]=4 5013 B11R0.111 CC(=O)CCCSC[C@@H](O)CF 62a_100011215641_100015614560 [0,1,0,0,0,0|2,0,1]=4 5014 B11R0.111 CC(=O)CCCSC[C@@H](O)CF 62a_100015614560_100011215641 [0,1,0,0,0,0|2,0,1]=4 5015 B11R0.111 CC(=O)CCCSC[C@@H](O)CO 62a_100009815848_100011215641 [0,1,0,0,0,0|2,0,1]=4 5016 B11R0.111 CC(=O)CCCSC[C@@H](O)CO 62a_100011215641_100009815848 [0,1,0,0,0,0|2,0,1]=4 5017 B11R0.111 CC(C)CCCCCC(=O)CF 1458a_100000766313_100015361967 [0,1,0,0,0,0|1,0,2]=4 5018 B11R0.111 CC(C)CCCCCC(=O)CO 1458a_100000210174_100000210682 [0,1,0,0,0,0|1,0,2]=4 5019 B11R0.111 CC(C)CCCCN[C@H](C)CO 2230a_100000737577_100011216152 [0,1,0,0,0,0|3,0,0]=4 5020 B11R0.111 CC(C)CCCCOC(C)CF 34a_100016041109_100011216152 [0,1,0,0,0,0|3,0,0]=4 5021 B11R0.111 CC(C)CCCCOC(C)CF 7a_100016041109_100011216152 [0,1,0,0,0,0|3,0,0]=4 5022 B11R0.111 CC(C)CCCCOC(C)CN 34a_100000210904_100011216152 [0,1,0,0,0,0|3,0,0]=4 5023 B11R0.111 CC(C)CCCCOC(C)CO 34a_100011214890_100012180447 [0,1,0,0,0,0|3,0,0]=4 5024 B11R0.111 CC(C)CCCCOC(C)CO 7a_100011214890_100012180447 [0,1,0,0,0,0|3,0,0]=4 5025 B11R0.111 CC(C)CCCCSC(C)CO 62a_100012180447_100011216152 [0,1,0,0,0,0|3,0,0]=4 5026 B11R0.111 CC(C)CCCCS[C@H](C)CO 62a_100011216152_100016084084 [0,1,0,0,0,0|3,0,0]=4 5027 B11R0.111 CC(C)CCCCS[C@H](C)CO 62a_100016084084_100011216152 [0,1,0,0,0,0|3,0,0]=4 5028 B11R0.111 CC(C)CCCNCC(C)CO 34a_100000744482_100011214892 [0,1,0,0,0,0|3,0,0]=4 5029 B11R0.111 CC(C)CCCNCC(O)CO 2230a_200000737386_100011219619 [0,1,0,0,0,0|2,0,0]=3 5030 B11R0.111 CC(C)CCCNCC(O)CO 34a_200000737386_100011219619 [0,1,0,0,0,0|2,0,0]=3 5031 B11R0.111 CC(C)CCCNC[C@@H](C)CO 2230a_200000737386_100000059175 [0,1,0,0,0,0|3,0,0]=4 5032 B11R0.111 CC(C)CCCNC[C@@H](C)CO 34a_200000737386_100000059175 [0,1,0,0,0,0|3,0,0]=4 5033 B11R0.111 CC(C)CCCNC[C@@H](F)CO 34a_100015665980_100011214892 [0,1,0,0,0,0|3,0,0]=4 5034 B11R0.111 CC(C)CCCNC[C@@H](O)CF 2230a_200000737386_100015614560 [0,1,0,0,0,0|2,0,0]=3 5035 B11R0.111 CC(C)CCCNC[C@@H](O)CF 34a_200000737386_100015614560 [0,1,0,0,0,0|2,0,0]=3 5036 B11R0.111 CC(C)CCCNC[C@@H](O)CO 2230a_200000737386_100009815848 [0,1,0,0,0,0|2,0,0]=3 5037 B11R0.111 CC(C)CCCNC[C@@H](O)CO 34a_200000737386_100009815848 [0,1,0,0,0,0|2,0,0]=3 5038 B11R0.111 CC(C)CCCNC[C@H](O)CO 2230a_100020644852_100011214892 [0,1,0,0,0,0|2,0,0]=3 5039 B11R0.111 CC(C)CCCOCC(C)CN 34a_100000744482_100011214892 [0,1,0,0,0,0|3,0,0]=4 5040 B11R0.111 CC(C)CCCOCC(Cl)CCl 34a_100000033668_100011214892 [0,1,0,0,0,0|3,0,0]=4 5041 B11R0.111 CC(C)CCCOCC(O)CO 34a_100000210774_100011219619 [0,1,0,0,0,0|2,0,0]=3 5042 B11R0.111 CC(C)CCCOCC(O)CO 7a_100000210774_100011219619 [0,1,0,0,0,0|2,0,0]=3 5043 B11R0.111 CC(C)CCCOC[C@@H](C)CO 34a_100000210774_100000059175 [0,1,0,0,0,0|3,0,0]=4 5044 B11R0.111 CC(C)CCCOC[C@@H](C)CO 7a_100000210774_100000059175 [0,1,0,0,0,0|3,0,0]=4 5045 B11R0.111 CC(C)CCCOC[C@@H](O)CF 34a_100000210774_100015614560 [0,1,0,0,0,0|2,0,0]=3 5046 B11R0.111 CC(C)CCCOC[C@@H](O)CF 7a_100000210774_100015614560 [0,1,0,0,0,0|2,0,0]=3 5047 B11R0.111 CC(C)CCCOC[C@@H](O)CO 34a_100000210774_100009815848 [0,1,0,0,0,0|2,0,0]=3 5048 B11R0.111 CC(C)CCCOC[C@@H](O)CO 7a_100000210774_100009815848 [0,1,0,0,0,0|2,0,0]=3 5049 B11R0.111 CC(C)CCCOC[C@H](F)CN 34a_100015665980_100011214892 [0,1,0,0,0,0|3,0,0]=4 5050 B11R0.111 CC(C)CCCSCC(O)CO 62a_100011214892_100011219619 [0,1,0,0,0,0|2,0,0]=3 5051 B11R0.111 CC(C)CCCSCC(O)CO 62a_100011219619_100011214892 [0,1,0,0,0,0|2,0,0]=3 5052 B11R0.111 CC(C)CCCSC[C@@H](C)CO 62a_100000059175_100011214892 [0,1,0,0,0,0|3,0,0]=4 5053 B11R0.111 CC(C)CCCSC[C@@H](C)CO 62a_100011214892_100000059175 [0,1,0,0,0,0|3,0,0]=4 5054 B11R0.111 CC(C)CCCSC[C@@H](O)CF 62a_100011214892_100015614560 [0,1,0,0,0,0|2,0,0]=3 5055 B11R0.111 CC(C)CCCSC[C@@H](O)CF 62a_100015614560_100011214892 [0,1,0,0,0,0|2,0,0]=3 5056 B11R0.111 CC(C)CCCSC[C@@H](O)CO 62a_100009815848_100011214892 [0,1,0,0,0,0|2,0,0]=3 5057 B11R0.111 CC(C)CCCSC[C@@H](O)CO 62a_100011214892_100009815848 [0,1,0,0,0,0|2,0,0]=3 5058 B11R0.111 CC(C)CCNCCC(C)CO 2230a_106354213184_100000210312 [0,1,0,0,0,0|3,0,0]=4 5059 B11R0.111 CC(C)CCNCCC(C)CO 269862a_106354213184_100000185833 [0,1,0,0,0,0|3,0,0]=4 5060 B11R0.111 CC(C)CCNCCC(C)CO 34a_106354213184_100000210312 [0,1,0,0,0,0|3,0,0]=4 5061 B11R0.111 CC(C)COCCC[C@@H](C)CN 34a_100160569302_100000210624 [0,1,0,0,0,0|3,0,0]=4 5062 B11R0.111 CC(C)NCCOCC(O)CO 34a_100000224655_100011219619 [0,1,0,0,0,0|3,0,0]=4 5063 B11R0.111 CC(C)NCCOC[C@@H](O)CF 34a_100000224655_100015614560 [0,1,0,0,0,0|3,0,0]=4 5064 B11R0.111 CC(C)NCCOC[C@@H](O)CO 34a_100000224655_100009815848 [0,1,0,0,0,0|3,0,0]=4 5065 B11R0.111 CC(C)OCCNCC(O)CO 2230a_100000701111_100011219619 [0,1,0,0,0,0|3,0,0]=4 5066 B11R0.111 CC(C)OCCNCC(O)CO 34a_100000701111_100011219619 [0,1,0,0,0,0|3,0,0]=4 5067 B11R0.111 CC(C)OCCNC[C@@H](O)CF 2230a_100000701111_100015614560 [0,1,0,0,0,0|3,0,0]=4 5068 B11R0.111 CC(C)OCCNC[C@@H](O)CF 34a_100000701111_100015614560 [0,1,0,0,0,0|3,0,0]=4 5069 B11R0.111 CC(C)OCCNC[C@@H](O)CO 2230a_100000701111_100009815848 [0,1,0,0,0,0|3,0,0]=4 5070 B11R0.111 CC(C)OCCNC[C@@H](O)CO 34a_100000701111_100009815848 [0,1,0,0,0,0|3,0,0]=4 5071 B11R0.111 CC(C)OCCNC[C@H](O)CO 2230a_100020644852_100000211751 [0,1,0,0,0,0|3,0,0]=4 5072 B11R0.111 CC(C)OCCOCC(O)CO 34a_100000211219_100011219619 [0,1,0,0,0,0|3,0,0]=4 5073 B11R0.111 CC(C)OCCOCC(O)CO 7a_100000211219_100011219619 [0,1,0,0,0,0|3,0,0]=4 5074 B11R0.111 CC(C)OCCOC[C@@H](O)CF 34a_100000211219_100015614560 [0,1,0,0,0,0|3,0,0]=4 5075 B11R0.111 CC(C)OCCOC[C@@H](O)CF 7a_100000211219_100015614560 [0,1,0,0,0,0|3,0,0]=4 5076 B11R0.111 CC(C)OCCOC[C@@H](O)CO 34a_100000211219_100009815848 [0,1,0,0,0,0|3,0,0]=4 5077 B11R0.111 CC(C)OCCOC[C@@H](O)CO 7a_100000211219_100009815848 [0,1,0,0,0,0|3,0,0]=4 5078 B11R0.111 CC(C)OCCSCC(O)CO 62a_100000211751_100011219619 [0,1,0,0,0,0|3,0,0]=4 5079 B11R0.111 CC(C)OCCSCC(O)CO 62a_100011219619_100000211751 [0,1,0,0,0,0|3,0,0]=4 5080 B11R0.111 CC(C)OCCSC[C@@H](O)CF 62a_100000211751_100015614560 [0,1,0,0,0,0|3,0,0]=4 5081 B11R0.111 CC(C)OCCSC[C@@H](O)CF 62a_100015614560_100000211751 [0,1,0,0,0,0|3,0,0]=4 5082 B11R0.111 CC(C)OCCSC[C@@H](O)CO 62a_100000211751_100009815848 [0,1,0,0,0,0|3,0,0]=4 5083 B11R0.111 CC(C)OCCSC[C@@H](O)CO 62a_100009815848_100000211751 [0,1,0,0,0,0|3,0,0]=4 5084 B11R0.111 CC(C)SCCNCC(O)CO 2230a_100000731138_100011219619 [0,1,0,0,0,0|3,0,0]=4 5085 B11R0.111 CC(C)SCCNCC(O)CO 34a_100000731138_100011219619 [0,1,0,0,0,0|3,0,0]=4 5086 B11R0.111 CC(C)SCCNC[C@@H](O)CF 2230a_100000731138_100015614560 [0,1,0,0,0,0|3,0,0]=4 5087 B11R0.111 CC(C)SCCNC[C@@H](O)CF 34a_100000731138_100015614560 [0,1,0,0,0,0|3,0,0]=4 5088 B11R0.111 CC(C)SCCNC[C@@H](O)CO 2230a_100000731138_100009815848 [0,1,0,0,0,0|3,0,0]=4 5089 B11R0.111 CC(C)SCCNC[C@@H](O)CO 34a_100000731138_100009815848 [0,1,0,0,0,0|3,0,0]=4 5090 B11R0.111 CC(C)SCCNC[C@H](O)CO 2230a_100020644852_100000730970 [0,1,0,0,0,0|3,0,0]=4 5091 B11R0.111 CC(C)SCCOCC(O)CO 34a_200011212901_100011219619 [0,1,0,0,0,0|3,0,0]=4 5092 B11R0.111 CC(C)SCCOCC(O)CO 7a_200011212901_100011219619 [0,1,0,0,0,0|3,0,0]=4 5093 B11R0.111 CC(C)SCCOC[C@@H](O)CF 34a_200011212901_100015614560 [0,1,0,0,0,0|3,0,0]=4 5094 B11R0.111 CC(C)SCCOC[C@@H](O)CF 7a_200011212901_100015614560 [0,1,0,0,0,0|3,0,0]=4 5095 B11R0.111 CC(C)SCCOC[C@@H](O)CO 34a_200011212901_100009815848 [0,1,0,0,0,0|3,0,0]=4 5096 B11R0.111 CC(C)SCCOC[C@@H](O)CO 7a_200011212901_100009815848 [0,1,0,0,0,0|3,0,0]=4 5097 B11R0.111 CC(C)SCCSCC(O)CO 62a_100000730970_100011219619 [0,1,0,0,0,0|3,0,0]=4 5098 B11R0.111 CC(C)SCCSCC(O)CO 62a_100011219619_100000730970 [0,1,0,0,0,0|3,0,0]=4 5099 B11R0.111 CC(C)SCCSC[C@@H](O)CF 62a_100000730970_100015614560 [0,1,0,0,0,0|3,0,0]=4 5100 B11R0.111 CC(C)SCCSC[C@@H](O)CF 62a_100015614560_100000730970 [0,1,0,0,0,0|3,0,0]=4 5101 B11R0.111 CC(C)SCCSC[C@@H](O)CO 62a_100000730970_100009815848 [0,1,0,0,0,0|3,0,0]=4 5102 B11R0.111 CC(C)SCCSC[C@@H](O)CO 62a_100009815848_100000730970 [0,1,0,0,0,0|3,0,0]=4 5103 B11R0.111 CC(O)CCCNCC(C)CO 34a_100000744482_200000718107 [0,1,0,0,0,0|3,0,0]=4 5104 B11R0.111 CC(O)CCCNC[C@@H](F)CO 34a_100015665980_200000718107 [0,1,0,0,0,0|3,0,0]=4 5105 B11R0.111 CC(O)CCCNC[C@H](O)CO 2230a_100020644852_200000718107 [0,1,0,0,0,0|2,0,0]=3 5106 B11R0.111 CC(O)CCCOCC(C)CN 34a_100000744482_200000718107 [0,1,0,0,0,0|3,0,0]=4 5107 B11R0.111 CC(O)CCCOCC(Cl)CCl 34a_100000033668_200000718107 [0,1,0,0,0,0|3,0,0]=4 5108 B11R0.111 CC(O)CCCOC[C@H](F)CN 34a_100015665980_200000718107 [0,1,0,0,0,0|3,0,0]=4 5109 B11R0.111 CC(O)CCCSCC(O)CO 62a_100011219619_200000718107 [0,1,0,0,0,0|2,0,0]=3 5110 B11R0.111 CC(O)CCCSCC(O)CO 62a_200000718107_100011219619 [0,1,0,0,0,0|2,0,0]=3 5111 B11R0.111 CC(O)CCCSC[C@@H](C)CO 62a_100000059175_200000718107 [0,1,0,0,0,0|3,0,0]=4 5112 B11R0.111 CC(O)CCCSC[C@@H](C)CO 62a_200000718107_100000059175 [0,1,0,0,0,0|3,0,0]=4 5113 B11R0.111 CC(O)CCCSC[C@@H](O)CF 62a_100015614560_200000718107 [0,1,0,0,0,0|2,0,0]=3 5114 B11R0.111 CC(O)CCCSC[C@@H](O)CF 62a_200000718107_100015614560 [0,1,0,0,0,0|2,0,0]=3 5115 B11R0.111 CC(O)CCCSC[C@@H](O)CO 62a_100009815848_200000718107 [0,1,0,0,0,0|2,0,0]=3 5116 B11R0.111 CC(O)CCCSC[C@@H](O)CO 62a_200000718107_100009815848 [0,1,0,0,0,0|2,0,0]=3 5117 B11R0.111 CC(O)CCNCCC(C)CO 2230a_106354213184_100012276601 [0,1,0,0,0,0|3,0,0]=4 5118 B11R0.111 CC(O)CCNCCC(C)CO 34a_106354213184_100012276601 [0,1,0,0,0,0|3,0,0]=4 5119 B11R0.111 CC(O)COCCC[C@@H](C)CN 34a_100160569302_100011218427 [0,1,0,0,0,0|3,0,0]=4 5120 B11R0.111 CCC(=O)CCCCCC(C)C 1458a_100000210414_100000210682 [0,1,0,0,0,0|0,0,2]=3 5121 B11R0.111 CCC(=O)CCCCCC(C)C 1458a_100000766313_100000210202 [0,1,0,0,0,0|0,0,2]=3 5122 B11R0.111 CCC(=O)COCCCC(C)C 34a_100000725409_100011214892 [0,1,0,0,0,0|1,0,2]=4 5123 B11R0.111 CCC(=O)COCCCC(C)C 7a_100000210774_100000747405 [0,1,0,0,0,0|1,0,2]=4 5124 B11R0.111 CCC(=O)COCCCC(C)O 34a_100000725409_200000718107 [0,1,0,0,0,0|1,0,2]=4 5125 B11R0.111 CCC(=O)CSCCCC(C)C 62a_100000747405_100011214892 [0,1,0,0,0,0|1,0,2]=4 5126 B11R0.111 CCC(=O)CSCCCC(C)C 62a_100011214892_100000747405 [0,1,0,0,0,0|1,0,2]=4 5127 B11R0.111 CCC(=O)CSCCCC(C)O 62a_100000747405_200000718107 [0,1,0,0,0,0|1,0,2]=4 5128 B11R0.111 CCC(=O)CSCCCC(C)O 62a_200000718107_100000747405 [0,1,0,0,0,0|1,0,2]=4 5129 B11R0.111 CCC(C)CCCOCC(C)C 7a_100011216074_100000210760 [0,1,0,0,0,0|2,0,0]=3 5130 B11R0.111 CCC(C)CCCOCC(C)O 7a_100011216074_100011218427 [0,1,0,0,0,0|2,0,0]=3 5131 B11R0.111 CCC(C)CCCOCC(F)F 7a_100011216074_100011934356 [0,1,0,0,0,0|3,0,0]=4 5132 B11R0.111 CCC(C)CCCOC[C@@H](C)O 7a_100011216074_100009817552 [0,1,0,0,0,0|2,0,0]=3 5133 B11R0.111 CCC(C)CCNCCC(C)C 2230a_100020591266_100000210312 [0,1,0,0,0,0|2,0,0]=3 5134 B11R0.111 CCC(C)CCNCCC(C)C 269862a_100020591266_100000185833 [0,1,0,0,0,0|2,0,0]=3 5135 B11R0.111 CCC(C)CCNCCC(C)O 2230a_100020591266_100012276601 [0,1,0,0,0,0|2,0,0]=3 5136 B11R0.111 CCC(C)CCNCOC(C)C 2230a_100020591266_100000709892 [0,1,0,0,0,0|3,0,0]=4 5137 B11R0.111 CCC(C)CCOCCC(=O)C 7a_100011215188_100000053229 [0,1,0,0,0,0|2,0,1]=4 5138 B11R0.111 CCC(C)CCOCCC(C)C 7a_100011215188_100000210626 [0,1,0,0,0,0|2,0,0]=3 5139 B11R0.111 CCC(C)CCOCCC(C)O 7a_100011215188_100012276601 [0,1,0,0,0,0|2,0,0]=3 5140 B11R0.111 CCC(C)CCOCCN(C)C 7a_100011215188_100000755713 [0,1,0,0,0,0|3,0,0]=4 5141 B11R0.111 CCC(C)CNCCCC(C)C 2230a_100020588543_100011214892 [0,1,0,0,0,0|2,0,0]=3 5142 B11R0.111 CCC(C)CNCCCC(C)C 2230a_200000737386_100000748023 [0,1,0,0,0,0|2,0,0]=3 5143 B11R0.111 CCC(C)CNCCCC(C)C 270004a_200000737386_100000243153 [0,1,0,0,0,0|2,0,0]=3 5144 B11R0.111 CCC(C)CNCCCC(C)C 34a_200000737386_100000748023 [0,1,0,0,0,0|2,0,0]=3 5145 B11R0.111 CCC(C)CNCCCC(C)O 2230a_100020588543_200000718107 [0,1,0,0,0,0|2,0,0]=3 5146 B11R0.111 CCC(C)CNCCCN(C)C 270004a_102531767803_100000243153 [0,1,0,0,0,0|3,0,0]=4 5147 B11R0.111 CCC(C)CNCCCS(=O)C 2230a_200000753449_100000748023 [0,1,0,0,0,0|3,0,0]=4 5148 B11R0.111 CCC(C)CNCCCS(=O)C 270004a_200000753449_100000243153 [0,1,0,0,0,0|3,0,0]=4 5149 B11R0.111 CCC(C)CNCCOC(C)C 2230a_100000701111_100000748023 [0,1,0,0,0,0|3,0,0]=4 5150 B11R0.111 CCC(C)CNCCOC(C)C 2230a_100020588543_100000211751 [0,1,0,0,0,0|3,0,0]=4 5151 B11R0.111 CCC(C)CNCCOC(C)C 270004a_100000701111_100000243153 [0,1,0,0,0,0|3,0,0]=4 5152 B11R0.111 CCC(C)CNCCOC(C)C 34a_100000701111_100000748023 [0,1,0,0,0,0|3,0,0]=4 5153 B11R0.111 CCC(C)CNCCSC(C)C 2230a_100000731138_100000748023 [0,1,0,0,0,0|3,0,0]=4 5154 B11R0.111 CCC(C)CNCCSC(C)C 2230a_100020588543_100000730970 [0,1,0,0,0,0|3,0,0]=4 5155 B11R0.111 CCC(C)CNCCSC(C)C 270004a_100000731138_100000243153 [0,1,0,0,0,0|3,0,0]=4 5156 B11R0.111 CCC(C)CNCCSC(C)C 34a_100000731138_100000748023 [0,1,0,0,0,0|3,0,0]=4 5157 B11R0.111 CCC(C)COCCCC(=O)C 34a_100000759063_100000748023 [0,1,0,0,0,0|2,0,1]=4 5158 B11R0.111 CCC(C)COCCCC(=O)C 7a_100000759063_100000748023 [0,1,0,0,0,0|2,0,1]=4 5159 B11R0.111 CCC(C)COCCCC(C)C 34a_100000210774_100000748023 [0,1,0,0,0,0|2,0,0]=3 5160 B11R0.111 CCC(C)COCCCC(C)C 7a_100000210774_100000748023 [0,1,0,0,0,0|2,0,0]=3 5161 B11R0.111 CCC(C)COCCNC(C)C 34a_100000224655_100000748023 [0,1,0,0,0,0|3,0,0]=4 5162 B11R0.111 CCC(C)COCCOC(C)C 34a_100000211219_100000748023 [0,1,0,0,0,0|3,0,0]=4 5163 B11R0.111 CCC(C)COCCOC(C)C 7a_100000211219_100000748023 [0,1,0,0,0,0|3,0,0]=4 5164 B11R0.111 CCC(C)COCCSC(C)C 34a_200011212901_100000748023 [0,1,0,0,0,0|3,0,0]=4 5165 B11R0.111 CCC(C)COCCSC(C)C 7a_200011212901_100000748023 [0,1,0,0,0,0|3,0,0]=4 5166 B11R0.111 CCC(C)CSCCCC(=O)C 62a_100000748023_100011215641 [0,1,0,0,0,0|2,0,1]=4 5167 B11R0.111 CCC(C)CSCCCC(=O)C 62a_100011215641_100000748023 [0,1,0,0,0,0|2,0,1]=4 5168 B11R0.111 CCC(C)CSCCCC(C)C 62a_100000748023_100011214892 [0,1,0,0,0,0|2,0,0]=3 5169 B11R0.111 CCC(C)CSCCCC(C)C 62a_100011214892_100000748023 [0,1,0,0,0,0|2,0,0]=3 5170 B11R0.111 CCC(C)CSCCCC(C)O 62a_100000748023_200000718107 [0,1,0,0,0,0|2,0,0]=3 5171 B11R0.111 CCC(C)CSCCCC(C)O 62a_200000718107_100000748023 [0,1,0,0,0,0|2,0,0]=3 5172 B11R0.111 CCC(C)CSCCCN(C)C 62a_100000748023_100000757444 [0,1,0,0,0,0|3,0,0]=4 5173 B11R0.111 CCC(C)CSCCOC(C)C 62a_100000211751_100000748023 [0,1,0,0,0,0|3,0,0]=4 5174 B11R0.111 CCC(C)CSCCOC(C)C 62a_100000748023_100000211751 [0,1,0,0,0,0|3,0,0]=4 5175 B11R0.111 CCC(C)CSCCSC(C)C 62a_100000730970_100000748023 [0,1,0,0,0,0|3,0,0]=4 5176 B11R0.111 CCC(C)CSCCSC(C)C 62a_100000748023_100000730970 [0,1,0,0,0,0|3,0,0]=4 5177 B11R0.111 CCC(C)NCCCCC(C)C 2230a_100000209981_100011216152 [0,1,0,0,0,0|2,0,0]=3 5178 B11R0.111 CCC(C)NCCCOC(C)C 2230a_100000737246_100000758301 [0,1,0,0,0,0|3,0,0]=4 5179 B11R0.111 CCC(C)NCCCOC(C)C 34a_100000737246_100011215416 [0,1,0,0,0,0|3,0,0]=4 5180 B11R0.111 CCC(C)OCCCCC(=O)C 7a_100000210228_100000735457 [0,1,0,0,0,0|2,0,1]=4 5181 B11R0.111 CCC(C)OCCCCC(C)C 34a_100011214890_100011215416 [0,1,0,0,0,0|2,0,0]=3 5182 B11R0.111 CCC(C)OCCCCC(C)C 7a_100000210228_100011216152 [0,1,0,0,0,0|2,0,0]=3 5183 B11R0.111 CCC(C)OCCCCC(C)C 7a_100011214890_100000758301 [0,1,0,0,0,0|2,0,0]=3 5184 B11R0.111 CCC(C)OCCCNC(C)C 34a_100000182298_100011215416 [0,1,0,0,0,0|3,0,0]=4 5185 B11R0.111 CCC(C)OCCNCC(C)C 34a_100015185251_100011215416 [0,1,0,0,0,0|3,0,0]=4 5186 B11R0.111 CCC(C)OCCOCC(C)C 34a_100000703358_100011215416 [0,1,0,0,0,0|3,0,0]=4 5187 B11R0.111 CCC(C)OCCOCC(C)C 7a_100000703358_100000758301 [0,1,0,0,0,0|3,0,0]=4 5188 B11R0.111 CCC(C)OCCSCC(C)C 34a_200000230437_100011215416 [0,1,0,0,0,0|3,0,0]=4 5189 B11R0.111 CCC(C)OCCSCC(C)C 7a_200000230437_100000758301 [0,1,0,0,0,0|3,0,0]=4 5190 B11R0.111 CCC(C)SCCCCC(=O)C 62a_100000735457_100000758301 [0,1,0,0,0,0|2,0,1]=4 5191 B11R0.111 CCC(C)SCCCCC(=O)C 62a_100000758301_100000735457 [0,1,0,0,0,0|2,0,1]=4 5192 B11R0.111 CCC(C)SCCCCC(C)C 62a_100000758301_100011216152 [0,1,0,0,0,0|2,0,0]=3 5193 B11R0.111 CCC(C)SCCCCC(C)C 62a_100011216152_100000758301 [0,1,0,0,0,0|2,0,0]=3 5194 B11R0.111 CCC(C)SCCCCN(C)C 62a_100000758301_100000690147 [0,1,0,0,0,0|3,0,0]=4 5195 B11R0.111 CCC(O)CNCCC=C(C)C 2230a_100011218483_100011217483 [0,1,0,0,0,0|1,0,2]=4 5196 B11R0.111 CCC(O)CNCCCC(=O)N 34a_100000739312_100011218378 [0,1,0,0,0,0|2,0,1]=4 5197 B11R0.111 CCC(O)CNCCCC(C)C 2230a_100011218483_100011214892 [0,1,0,0,0,0|1,0,0]=2 5198 B11R0.111 CCC(O)CNCCCC(C)C 2230a_200000737386_100011218378 [0,1,0,0,0,0|1,0,0]=2 5199 B11R0.111 CCC(O)CNCCCC(C)C 34a_200000737386_100011218378 [0,1,0,0,0,0|1,0,0]=2 5200 B11R0.111 CCC(O)CNCCCC(C)O 2230a_100011218483_200000718107 [0,1,0,0,0,0|1,0,0]=2 5201 B11R0.111 CCC(O)CNCCCS(=O)C 2230a_200000753449_100011218378 [0,1,0,0,0,0|2,0,0]=3 5202 B11R0.111 CCC(O)CNCCNC(=O)C 2230a_100000209853_100011218378 [0,1,0,0,0,0|2,0,1]=4 5203 B11R0.111 CCC(O)CNCCNC(=O)C 2230a_100011218483_100000189650 [0,1,0,0,0,0|2,0,1]=4 5204 B11R0.111 CCC(O)CNCCOC(C)C 2230a_100000701111_100011218378 [0,1,0,0,0,0|2,0,0]=3 5205 B11R0.111 CCC(O)CNCCOC(C)C 2230a_100011218483_100000211751 [0,1,0,0,0,0|2,0,0]=3 5206 B11R0.111 CCC(O)CNCCOC(C)C 34a_100000701111_100011218378 [0,1,0,0,0,0|2,0,0]=3 5207 B11R0.111 CCC(O)CNCCSC(C)C 2230a_100000731138_100011218378 [0,1,0,0,0,0|2,0,0]=3 5208 B11R0.111 CCC(O)CNCCSC(C)C 2230a_100011218483_100000730970 [0,1,0,0,0,0|2,0,0]=3 5209 B11R0.111 CCC(O)CNCCSC(C)C 34a_100000731138_100011218378 [0,1,0,0,0,0|2,0,0]=3 5210 B11R0.111 CCC(O)CNN=CCC(C)C 4a_100015206393_100000185833 [0,1,0,0,0,0|2,0,1]=4 5211 B11R0.111 CCC(O)COCCCC(=O)C 34a_100000759063_100011218378 [0,1,0,0,0,0|1,0,1]=3 5212 B11R0.111 CCC(O)COCCCC(=O)C 7a_100000759063_100011218378 [0,1,0,0,0,0|1,0,1]=3 5213 B11R0.111 CCC(O)COCCCC(C)C 34a_100000210774_100011218378 [0,1,0,0,0,0|1,0,0]=2 5214 B11R0.111 CCC(O)COCCCC(C)C 7a_100000210774_100011218378 [0,1,0,0,0,0|1,0,0]=2 5215 B11R0.111 CCC(O)COCCC[N+](=O)[O-] 34a_200000037920_100011218378 [0,1,0,0,0,0|3,0,0]=4 5216 B11R0.111 CCC(O)COCCNC(=O)C 34a_100000158858_100011218378 [0,1,0,0,0,0|2,0,1]=4 5217 B11R0.111 CCC(O)COCCNC(C)C 34a_100000224655_100011218378 [0,1,0,0,0,0|2,0,0]=3 5218 B11R0.111 CCC(O)COCCOC(C)C 34a_100000211219_100011218378 [0,1,0,0,0,0|2,0,0]=3 5219 B11R0.111 CCC(O)COCCOC(C)C 7a_100000211219_100011218378 [0,1,0,0,0,0|2,0,0]=3 5220 B11R0.111 CCC(O)COCCSC(C)C 34a_200011212901_100011218378 [0,1,0,0,0,0|2,0,0]=3 5221 B11R0.111 CCC(O)COCCSC(C)C 7a_200011212901_100011218378 [0,1,0,0,0,0|2,0,0]=3 5222 B11R0.111 CCC(O)CSCCC=C(C)C 62a_100011217483_100011218378 [0,1,0,0,0,0|1,0,2]=4 5223 B11R0.111 CCC(O)CSCCC=C(C)C 62a_100011218378_100011217483 [0,1,0,0,0,0|1,0,2]=4 5224 B11R0.111 CCC(O)CSCCCC(=O)C 62a_100011215641_100011218378 [0,1,0,0,0,0|1,0,1]=3 5225 B11R0.111 CCC(O)CSCCCC(=O)C 62a_100011218378_100011215641 [0,1,0,0,0,0|1,0,1]=3 5226 B11R0.111 CCC(O)CSCCCC(=O)N 62a_100011218378_100102525003 [0,1,0,0,0,0|2,0,1]=4 5227 B11R0.111 CCC(O)CSCCCC(=O)N 62a_100102525003_100011218378 [0,1,0,0,0,0|2,0,1]=4 5228 B11R0.111 CCC(O)CSCCCC(C)C 62a_100011214892_100011218378 [0,1,0,0,0,0|1,0,0]=2 5229 B11R0.111 CCC(O)CSCCCC(C)C 62a_100011218378_100011214892 [0,1,0,0,0,0|1,0,0]=2 5230 B11R0.111 CCC(O)CSCCCC(C)O 62a_100011218378_200000718107 [0,1,0,0,0,0|1,0,0]=2 5231 B11R0.111 CCC(O)CSCCCC(C)O 62a_200000718107_100011218378 [0,1,0,0,0,0|1,0,0]=2 5232 B11R0.111 CCC(O)CSCCCN(C)C 62a_100011218378_100000757444 [0,1,0,0,0,0|2,0,0]=3 5233 B11R0.111 CCC(O)CSCCNC(=O)C 62a_100000189650_100011218378 [0,1,0,0,0,0|2,0,1]=4 5234 B11R0.111 CCC(O)CSCCNC(=O)C 62a_100011218378_100000189650 [0,1,0,0,0,0|2,0,1]=4 5235 B11R0.111 CCC(O)CSCCOC(=O)C 62a_100009814007_100011218378 [0,1,0,0,0,0|2,0,1]=4 5236 B11R0.111 CCC(O)CSCCOC(=O)C 62a_100011218378_100009814007 [0,1,0,0,0,0|2,0,1]=4 5237 B11R0.111 CCC(O)CSCCOC(C)C 62a_100000211751_100011218378 [0,1,0,0,0,0|2,0,0]=3 5238 B11R0.111 CCC(O)CSCCOC(C)C 62a_100011218378_100000211751 [0,1,0,0,0,0|2,0,0]=3 5239 B11R0.111 CCC(O)CSCCSC(C)C 62a_100000730970_100011218378 [0,1,0,0,0,0|2,0,0]=3 5240 B11R0.111 CCC(O)CSCCSC(C)C 62a_100011218378_100000730970 [0,1,0,0,0,0|2,0,0]=3 5241 B11R0.111 CCN(C)CCCCCC(C)C 2230a_100000225621_100000210682 [0,1,0,0,0,0|2,0,0]=3 5242 B11R0.111 CCN(C)CCCCCC(C)C 269982a_100000225621_100000210682 [0,1,0,0,0,0|2,0,0]=3 5243 B11R0.111 CCN(C)CCCNCC(C)C 2230a_100000210953_100015186262 [0,1,0,0,0,0|3,0,0]=4 5244 B11R0.111 CCN(C)CCCNCC(C)O 2230a_100000210904_100015186262 [0,1,0,0,0,0|3,0,0]=4 5245 B11R0.111 CCN(C)CCCSCC(C)C 62a_100000210624_100015186262 [0,1,0,0,0,0|3,0,0]=4 5246 B11R0.111 CCN(C)CCCSCC(C)O 62a_100011218427_100015186262 [0,1,0,0,0,0|3,0,0]=4 5247 B11R0.111 CCN(C)CCCSC[C@@H](C)O 62a_100009817552_100015186262 [0,1,0,0,0,0|3,0,0]=4 5248 B11R0.111 CC[C@H](C)CNCCCC(C)C 2230a_200000737386_100009816398 [0,1,0,0,0,0|2,0,0]=3 5249 B11R0.111 CC[C@H](C)CNCCCC(C)C 34a_200000737386_100009816398 [0,1,0,0,0,0|2,0,0]=3 5250 B11R0.111 CC[C@H](C)CNCCCS(=O)C 2230a_200000753449_100009816398 [0,1,0,0,0,0|3,0,0]=4 5251 B11R0.111 CC[C@H](C)CNCCOC(C)C 2230a_100000701111_100009816398 [0,1,0,0,0,0|3,0,0]=4 5252 B11R0.111 CC[C@H](C)CNCCOC(C)C 34a_100000701111_100009816398 [0,1,0,0,0,0|3,0,0]=4 5253 B11R0.111 CC[C@H](C)CNCCSC(C)C 2230a_100000731138_100009816398 [0,1,0,0,0,0|3,0,0]=4 5254 B11R0.111 CC[C@H](C)CNCCSC(C)C 34a_100000731138_100009816398 [0,1,0,0,0,0|3,0,0]=4 5255 B11R0.111 CC[C@H](C)COCCCC(=O)C 34a_100000759063_100009816398 [0,1,0,0,0,0|2,0,1]=4 5256 B11R0.111 CC[C@H](C)COCCCC(=O)C 7a_100000759063_100009816398 [0,1,0,0,0,0|2,0,1]=4 5257 B11R0.111 CC[C@H](C)COCCCC(=O)C 7a_100009816381_100011215641 [0,1,0,0,0,0|2,0,1]=4 5258 B11R0.111 CC[C@H](C)COCCCC(C)C 34a_100000210774_100009816398 [0,1,0,0,0,0|2,0,0]=3 5259 B11R0.111 CC[C@H](C)COCCCC(C)C 7a_100000210774_100009816398 [0,1,0,0,0,0|2,0,0]=3 5260 B11R0.111 CC[C@H](C)COCCCC(C)C 7a_100009816381_100011214892 [0,1,0,0,0,0|2,0,0]=3 5261 B11R0.111 CC[C@H](C)COCCCC(C)O 7a_100009816381_200000718107 [0,1,0,0,0,0|2,0,0]=3 5262 B11R0.111 CC[C@H](C)COCCCN(C)C 7a_100009816381_100000757444 [0,1,0,0,0,0|3,0,0]=4 5263 B11R0.111 CC[C@H](C)COCCNC(C)C 34a_100000224655_100009816398 [0,1,0,0,0,0|3,0,0]=4 5264 B11R0.111 CC[C@H](C)COCCOC(C)C 34a_100000211219_100009816398 [0,1,0,0,0,0|3,0,0]=4 5265 B11R0.111 CC[C@H](C)COCCOC(C)C 7a_100000211219_100009816398 [0,1,0,0,0,0|3,0,0]=4 5266 B11R0.111 CC[C@H](C)COCCOC(C)C 7a_100009816381_100000211751 [0,1,0,0,0,0|3,0,0]=4 5267 B11R0.111 CC[C@H](C)COCCSC(C)C 34a_200011212901_100009816398 [0,1,0,0,0,0|3,0,0]=4 5268 B11R0.111 CC[C@H](C)COCCSC(C)C 7a_100009816381_100000730970 [0,1,0,0,0,0|3,0,0]=4 5269 B11R0.111 CC[C@H](C)COCCSC(C)C 7a_200011212901_100009816398 [0,1,0,0,0,0|3,0,0]=4 5270 B11R0.111 CC[C@H](C)CSCCCC(=O)C 62a_100009816398_100011215641 [0,1,0,0,0,0|2,0,1]=4 5271 B11R0.111 CC[C@H](C)CSCCCC(=O)C 62a_100011215641_100009816398 [0,1,0,0,0,0|2,0,1]=4 5272 B11R0.111 CC[C@H](C)CSCCCC(C)C 62a_100009816398_100011214892 [0,1,0,0,0,0|2,0,0]=3 5273 B11R0.111 CC[C@H](C)CSCCCC(C)C 62a_100011214892_100009816398 [0,1,0,0,0,0|2,0,0]=3 5274 B11R0.111 CC[C@H](C)CSCCCC(C)O 62a_100009816398_200000718107 [0,1,0,0,0,0|2,0,0]=3 5275 B11R0.111 CC[C@H](C)CSCCCC(C)O 62a_200000718107_100009816398 [0,1,0,0,0,0|2,0,0]=3 5276 B11R0.111 CC[C@H](C)CSCCCN(C)C 62a_100009816398_100000757444 [0,1,0,0,0,0|3,0,0]=4 5277 B11R0.111 CC[C@H](C)CSCCOC(C)C 62a_100000211751_100009816398 [0,1,0,0,0,0|3,0,0]=4 5278 B11R0.111 CC[C@H](C)CSCCOC(C)C 62a_100009816398_100000211751 [0,1,0,0,0,0|3,0,0]=4 5279 B11R0.111 CC[C@H](C)CSCCSC(C)C 62a_100000730970_100009816398 [0,1,0,0,0,0|3,0,0]=4 5280 B11R0.111 CC[C@H](C)CSCCSC(C)C 62a_100009816398_100000730970 [0,1,0,0,0,0|3,0,0]=4 5281 B11R0.111 CN(C)CCCSCC(O)CO 62a_100011219619_100000757444 [0,1,0,0,0,0|3,0,0]=4 5282 B11R0.111 CN(C)CCCSC[C@@H](O)CF 62a_100015614560_100000757444 [0,1,0,0,0,0|3,0,0]=4 5283 B11R0.111 CN(C)CCCSC[C@@H](O)CO 62a_100009815848_100000757444 [0,1,0,0,0,0|3,0,0]=4 5284 B11R0.111 CNC(=O)CCCCCC(C)C 11a_106832991635_100000766313 [0,1,0,0,0,0|1,0,2]=4 5285 B11R0.111 CNC(=O)CCCCCC(C)C 1626a_100102657272_100000766313 [0,1,0,0,0,0|1,0,2]=4 5286 B11R0.111 CNC(=O)CCCCCC(C)C 240690a_100102657272_100000766313 [0,1,0,0,0,0|1,0,2]=4 5287 B11R0.111 CNC(=O)CCCCCC(C)C 527a_100102657272_100000766313 [0,1,0,0,0,0|1,0,2]=4 5288 B11R0.111 COC(C)CCOCCC(C)C 7a_100000764861_100000210626 [0,1,0,0,0,0|3,0,0]=4 5289 B11R0.111 COC(C)CCOCCC(C)O 7a_100000764861_100012276601 [0,1,0,0,0,0|3,0,0]=4 5290 B11R0.111 COC(C)COCCCC(C)C 34a_100000690652_100011214892 [0,1,0,0,0,0|3,0,0]=4 5291 B11R0.111 COC(C)COCCCC(C)O 34a_100000690652_200000718107 [0,1,0,0,0,0|3,0,0]=4 5292 B11R0.111 COC(C)SCCCCC(C)C 62a_100009879195_100011216152 [0,1,0,0,0,0|3,0,0]=4 5293 B11R0.111 COC(C)SCCCCC(C)C 62a_100011216152_100009879195 [0,1,0,0,0,0|3,0,0]=4 5294 B11R0.111 CO[C@H](C)CNCCCC(C)C 2230a_100020591295_100011214892 [0,1,0,0,0,0|3,0,0]=4 5295 B11R0.111 CO[C@H](C)CNCCCC(C)O 2230a_100020591295_200000718107 [0,1,0,0,0,0|3,0,0]=4 5296 B11R0.111 CS(=O)CCCNCC(O)CO 2230a_200000753449_100011219619 [0,1,0,0,0,0|3,0,0]=4 5297 B11R0.111 CS(=O)CCCNC[C@@H](O)CF 2230a_200000753449_100015614560 [0,1,0,0,0,0|3,0,0]=4 5298 B11R0.111 CS(=O)CCCNC[C@@H](O)CO 2230a_200000753449_100009815848 [0,1,0,0,0,0|3,0,0]=4 5299 B11R0.111 C[C@@H](CN)CCCOC[C@@H](C)O 34a_100160569302_100009817552 [0,1,0,0,0,0|3,0,0]=4 5300 B11R0.124 C#CC(CC)OCCCCCC 34a_100000758843_100000210314 [0,1,0,0,0,0|2,0,0]=3 5301 B11R0.124 C#CC(CC)OCCCCCC 7a_100000758843_100000210314 [0,1,0,0,0,0|2,0,0]=3 5302 B11R0.124 C#CC(CC)OCCCCCF 34a_100000758843_100000729378 [0,1,0,0,0,0|3,0,0]=4 5303 B11R0.124 C#CC(CC)OCCCCCF 7a_100000758843_100000729378 [0,1,0,0,0,0|3,0,0]=4 5304 B11R0.124 C#CC(CC)OCCCCCO 34a_100000758843_100000746330 [0,1,0,0,0,0|3,0,0]=4 5305 B11R0.124 C#CC(CC)OCCCCCO 7a_100000758843_100000746330 [0,1,0,0,0,0|3,0,0]=4 5306 B11R0.124 C#CC(CC)OCCCCOC 34a_100000758843_100000755781 [0,1,0,0,0,0|3,0,0]=4 5307 B11R0.124 C#CC(CC)OCCCCOC 7a_100000758843_100000730899 [0,1,0,0,0,0|3,0,0]=4 5308 B11R0.124 C#CC(CC)OCCCOCC 34a_100000758843_100012232248 [0,1,0,0,0,0|3,0,0]=4 5309 B11R0.124 C#CC(CC)OCCCOCC 7a_100000758843_100012232248 [0,1,0,0,0,0|3,0,0]=4 5310 B11R0.124 C#CC(CC)OCCOCCC 34a_100000758843_100011215938 [0,1,0,0,0,0|3,0,0]=4 5311 B11R0.124 C#CC(CC)OCCOCCC 7a_100000758843_100011215938 [0,1,0,0,0,0|3,0,0]=4 5312 B11R0.124 C#CC(CC)OCOCCCC 34a_100000758843_100011995733 [0,1,0,0,0,0|3,0,0]=4 5313 B11R0.124 C#CCCCCN[C@@H](CC)CO 2230a_100000709445_100010269958 [0,1,0,0,0,0|1,0,2]=4 5314 B11R0.124 C#CCCCOCC(CC)OC 34a_100011934954_100000695029 [0,1,0,0,0,0|1,0,2]=4 5315 B11R0.124 C#CCCCOCC(CC)OC 7a_100011934954_100011215417 [0,1,0,0,0,0|1,0,2]=4 5316 B11R0.124 C=CC(CC)OCCCCCC 34a_100000766422_100000210314 [0,1,0,0,0,0|2,0,0]=3 5317 B11R0.124 C=CC(CC)OCCCCCC 7a_100000766422_100000210314 [0,1,0,0,0,0|2,0,0]=3 5318 B11R0.124 C=CC(CC)OCCCCCF 34a_100000766422_100000729378 [0,1,0,0,0,0|3,0,0]=4 5319 B11R0.124 C=CC(CC)OCCCCCF 7a_100000766422_100000729378 [0,1,0,0,0,0|3,0,0]=4 5320 B11R0.124 C=CC(CC)OCCCCCO 34a_100000766422_100000746330 [0,1,0,0,0,0|3,0,0]=4 5321 B11R0.124 C=CC(CC)OCCCCCO 7a_100000766422_100000746330 [0,1,0,0,0,0|3,0,0]=4 5322 B11R0.124 C=CC(CC)OCCCCOC 34a_100000766422_100000755781 [0,1,0,0,0,0|3,0,0]=4 5323 B11R0.124 C=CC(CC)OCCCCOC 7a_100000766422_100000730899 [0,1,0,0,0,0|3,0,0]=4 5324 B11R0.124 C=CC(CC)OCCCOCC 34a_100000766422_100012232248 [0,1,0,0,0,0|3,0,0]=4 5325 B11R0.124 C=CC(CC)OCCCOCC 7a_100000766422_100012232248 [0,1,0,0,0,0|3,0,0]=4 5326 B11R0.124 C=CC(CC)OCCOCCC 34a_100000766422_100011215938 [0,1,0,0,0,0|3,0,0]=4 5327 B11R0.124 C=CC(CC)OCCOCCC 7a_100000766422_100011215938 [0,1,0,0,0,0|3,0,0]=4 5328 B11R0.124 C=CC(CC)OCOCCCC 34a_100000766422_100011995733 [0,1,0,0,0,0|3,0,0]=4 5329 B11R0.124 C=CC(CCCCCCC)OC 34a_200011934235_200000210301 [0,1,0,0,0,0|0,0,2]=3 5330 B11R0.124 C=CC(CCCCCCC)OC 7a_200011934235_200000210301 [0,1,0,0,0,0|0,0,2]=3 5331 B11R0.124 C=CC(CCCCCCC)O[13CH3] 34a_200011934235_200025704644 [0,1,0,0,0,0|0,0,2]=3 5332 B11R0.124 C=CC(CCCCCCC)O[13CH3] 7a_200011934235_200025704644 [0,1,0,0,0,0|0,0,2]=3 5333 B11R0.124 C=CCCCCN[C@@H](CC)CO 2230a_100000709445_100011215482 [0,1,0,0,0,0|1,0,2]=4 5334 B11R0.124 C=CCCCOCC(CC)OC 34a_100011934954_100000757094 [0,1,0,0,0,0|1,0,2]=4 5335 B11R0.124 C=CCCCOCC(CC)OC 7a_100011934954_100000757094 [0,1,0,0,0,0|1,0,2]=4 5336 B11R0.124 C=C[C@@H](CO)NCCCCCC 2230a_100016989147_100000210314 [0,1,0,0,0,0|1,0,2]=4 5337 B11R0.124 C=C[C@@H](CO)NCCCCCC 34a_100016989147_100000210314 [0,1,0,0,0,0|1,0,2]=4 5338 B11R0.124 CC/C=C\CCN[C@@H](CC)CO 2230a_100000709445_100015370543 [0,1,0,0,0,0|1,0,2]=4 5339 B11R0.124 CC/C=C\COCC(CC)OC 34a_100011934954_100103147603 [0,1,0,0,0,0|1,0,2]=4 5340 B11R0.124 CC/C=C\COCC(CC)OC 7a_100011934954_100103147603 [0,1,0,0,0,0|1,0,2]=4 5341 B11R0.124 CCC#CCOCC(CC)OC 34a_100011934954_100009813939 [0,1,0,0,0,0|1,0,2]=4 5342 B11R0.124 CCC#CCOCC(CC)OC 7a_100011934954_100009813939 [0,1,0,0,0,0|1,0,2]=4 5343 B11R0.124 CCC(CC)CNCCCCF 2230a_100102946423_100000729493 [0,1,0,0,0,0|3,0,0]=4 5344 B11R0.124 CCC(CC)CNCCCCO 2230a_100000750430_100011215472 [0,1,0,0,0,0|3,0,0]=4 5345 B11R0.124 CCC(CC)CNCCCCO 2230a_100102946423_100000210776 [0,1,0,0,0,0|3,0,0]=4 5346 B11R0.124 CCC(CC)CNCCCCO 269862a_100000750430_100000211137 [0,1,0,0,0,0|3,0,0]=4 5347 B11R0.124 CCC(CC)CNCCCCO 270004a_100000750430_100000211137 [0,1,0,0,0,0|3,0,0]=4 5348 B11R0.124 CCC(CC)CNCCCCO 34a_100000750430_100011215472 [0,1,0,0,0,0|3,0,0]=4 5349 B11R0.124 CCC(CC)CNCCCOC 2230a_100102946423_100000740836 [0,1,0,0,0,0|3,0,0]=4 5350 B11R0.124 CCC(CC)CNCCCOC 269862a_100150723488_100000211137 [0,1,0,0,0,0|3,0,0]=4 5351 B11R0.124 CCC(CC)CNCCCOC 270004a_100150723488_100000211137 [0,1,0,0,0,0|3,0,0]=4 5352 B11R0.124 CCC(CC)CNCCCOC 34a_100150723488_100011215472 [0,1,0,0,0,0|3,0,0]=4 5353 B11R0.124 CCC(CC)CNCCCSC 2230a_100000749238_100011215472 [0,1,0,0,0,0|3,0,0]=4 5354 B11R0.124 CCC(CC)CNCCCSC 269862a_100000749238_100000211137 [0,1,0,0,0,0|3,0,0]=4 5355 B11R0.124 CCC(CC)CNCCCSC 270004a_100000749238_100000211137 [0,1,0,0,0,0|3,0,0]=4 5356 B11R0.124 CCC(CC)COCCCCBr 34a_100011216708_100011215472 [0,1,0,0,0,0|3,0,0]=4 5357 B11R0.124 CCC(CC)COCCCCCl 34a_100000210776_100011215472 [0,1,0,0,0,0|3,0,0]=4 5358 B11R0.124 CCC(CC)COCCCCCl 7a_100000210776_100011215472 [0,1,0,0,0,0|3,0,0]=4 5359 B11R0.124 CCC(CC)COCCCCF 34a_100011995726_100011215472 [0,1,0,0,0,0|3,0,0]=4 5360 B11R0.124 CCC(CC)COCCCCF 7a_100000703878_100000729493 [0,1,0,0,0,0|3,0,0]=4 5361 B11R0.124 CCC(CC)COCCCCF 7a_100011995726_100011215472 [0,1,0,0,0,0|3,0,0]=4 5362 B11R0.124 CCC(CC)COCCCCI 34a_200012148704_100011215472 [0,1,0,0,0,0|3,0,0]=4 5363 B11R0.124 CCC(CC)COCCCCN 34a_100000750430_100011215472 [0,1,0,0,0,0|3,0,0]=4 5364 B11R0.124 CCC(CC)COCCCCO 7a_100000703878_100000210776 [0,1,0,0,0,0|3,0,0]=4 5365 B11R0.124 CCC(CC)COCCCNC 34a_100000213112_100011215472 [0,1,0,0,0,0|3,0,0]=4 5366 B11R0.124 CCC(CC)COCCCOC 34a_100000740835_100011215472 [0,1,0,0,0,0|3,0,0]=4 5367 B11R0.124 CCC(CC)COCCCOC 7a_100000703878_100000740836 [0,1,0,0,0,0|3,0,0]=4 5368 B11R0.124 CCC(CC)COCCCSC 34a_100000690336_100011215472 [0,1,0,0,0,0|3,0,0]=4 5369 B11R0.124 CCC(CC)COCCCSC 7a_100000690336_100011215472 [0,1,0,0,0,0|3,0,0]=4 5370 B11R0.124 CCC(CC)CSCCCCF 62a_100000729493_100011215472 [0,1,0,0,0,0|3,0,0]=4 5371 B11R0.124 CCC(CC)CSCCCCF 62a_100011215472_100000729493 [0,1,0,0,0,0|3,0,0]=4 5372 B11R0.124 CCC(CC)CSCCCCO 62a_100000210776_100011215472 [0,1,0,0,0,0|3,0,0]=4 5373 B11R0.124 CCC(CC)CSCCCCO 62a_100011215472_100000210776 [0,1,0,0,0,0|3,0,0]=4 5374 B11R0.124 CCC(CC)CSCCCOC 62a_100000709357_100011215472 [0,1,0,0,0,0|3,0,0]=4 5375 B11R0.124 CCC(CC)CSCCCOC 62a_100011215472_100000709357 [0,1,0,0,0,0|3,0,0]=4 5376 B11R0.124 CCC(CC)NCCCCCF 2230a_100000199018_100000729378 [0,1,0,0,0,0|3,0,0]=4 5377 B11R0.124 CCC(CC)NCCCCCO 2230a_100000199018_100000746330 [0,1,0,0,0,0|3,0,0]=4 5378 B11R0.124 CCC(CC)NCCCCCO 270004a_100000762737_100000210860 [0,1,0,0,0,0|3,0,0]=4 5379 B11R0.124 CCC(CC)NCCCCOC 2230a_100000199018_100000730899 [0,1,0,0,0,0|3,0,0]=4 5380 B11R0.124 CCC(CC)OCCCCCBr 7a_100000746331_100000210505 [0,1,0,0,0,0|3,0,0]=4 5381 B11R0.124 CCC(CC)OCCCCCCl 7a_100000746330_100000210505 [0,1,0,0,0,0|3,0,0]=4 5382 B11R0.124 CCC(CC)OCCCCCF 7a_100000688536_100000729378 [0,1,0,0,0,0|3,0,0]=4 5383 B11R0.124 CCC(CC)OCCCCCI 7a_200012148887_100000210505 [0,1,0,0,0,0|3,0,0]=4 5384 B11R0.124 CCC(CC)OCCCCCO 7a_100000688536_100000746330 [0,1,0,0,0,0|3,0,0]=4 5385 B11R0.124 CCC(CC)OCCCCOC 7a_100000688536_100000730899 [0,1,0,0,0,0|3,0,0]=4 5386 B11R0.124 CCC(CC)OCCCCSC 7a_100011217163_100000210505 [0,1,0,0,0,0|3,0,0]=4 5387 B11R0.124 CCC(CC)SCCCCCF 62a_100000210505_100000729378 [0,1,0,0,0,0|3,0,0]=4 5388 B11R0.124 CCC(CC)SCCCCCF 62a_100000729378_100000210505 [0,1,0,0,0,0|3,0,0]=4 5389 B11R0.124 CCC(CC)SCCCCCO 62a_100000210505_100000746330 [0,1,0,0,0,0|3,0,0]=4 5390 B11R0.124 CCC(CC)SCCCCCO 62a_100000746330_100000210505 [0,1,0,0,0,0|3,0,0]=4 5391 B11R0.124 CCC(CC)SCCCCOC 62a_100000210505_100000730899 [0,1,0,0,0,0|3,0,0]=4 5392 B11R0.124 CCC(CC)SCCCCOC 62a_100000730899_100000210505 [0,1,0,0,0,0|3,0,0]=4 5393 B11R0.124 CCC(COCCCC#N)OC 7a_100011934954_100000687738 [0,1,0,0,0,0|2,0,1]=4 5394 B11R0.124 CCC(COCCCC=O)OC 7a_100011934954_200011292268 [0,1,0,0,0,0|2,0,1]=4 5395 B11R0.124 CCC(COCCCCF)OC 34a_100011934954_100000729493 [0,1,0,0,0,0|2,0,0]=3 5396 B11R0.124 CCC(COCCCCF)OC 7a_100011934954_100000729493 [0,1,0,0,0,0|2,0,0]=3 5397 B11R0.124 CCC(COCCCCO)OC 34a_100011934954_100011216708 [0,1,0,0,0,0|2,0,0]=3 5398 B11R0.124 CCC(COCCCCO)OC 7a_100011934954_100000210776 [0,1,0,0,0,0|2,0,0]=3 5399 B11R0.124 CCC(COCCCOC)OC 34a_100011934954_100000740836 [0,1,0,0,0,0|2,0,0]=3 5400 B11R0.124 CCC(COCCCOC)OC 7a_100011934954_100000740836 [0,1,0,0,0,0|2,0,0]=3 5401 B11R0.124 CCCCCCCC(CC)NC 270004a_106832991635_200011217162 [0,1,0,0,0,0|1,0,0]=2 5402 B11R0.124 CCCCCCCC(CC)OC 34a_200011217053_200000210301 [0,1,0,0,0,0|0,0,0]=1 5403 B11R0.124 CCCCCCCC(CC)OC 7a_200011217053_200000210301 [0,1,0,0,0,0|0,0,0]=1 5404 B11R0.124 CCCCCCCC(CC)O[13CH3] 34a_200011217053_200025704644 [0,1,0,0,0,0|0,0,0]=1 5405 B11R0.124 CCCCCCCC(CC)O[13CH3] 7a_200011217053_200025704644 [0,1,0,0,0,0|0,0,0]=1 5406 B11R0.124 CCCCCCCN(CC)CC 2230a_100000228213_100000210202 [0,1,0,0,0,0|2,0,0]=3 5407 B11R0.124 CCCCCCCN(CC)CC 2230a_100000724800_100000210681 [0,1,0,0,0,0|2,0,0]=3 5408 B11R0.124 CCCCCCCN(CC)CC 269956a_100000042499_100000210614 [0,1,0,0,0,0|2,0,0]=3 5409 B11R0.124 CCCCCCCN(CC)CC 269982a_100000228213_100000204670 [0,1,0,0,0,0|2,0,0]=3 5410 B11R0.124 CCCCCCCN(CC)CC 269982a_100000724800_100000210681 [0,1,0,0,0,0|2,0,0]=3 5411 B11R0.124 CCCCCCCN(CC)CF 269982a_100000228213_100015361967 [0,1,0,0,0,0|2,0,0]=3 5412 B11R0.124 CCCCCCNC(CC)CC 2230a_100000199018_100000210314 [0,1,0,0,0,0|2,0,0]=3 5413 B11R0.124 CCCCCCNC(CC)CC 270004a_100000210581_100000210860 [0,1,0,0,0,0|2,0,0]=3 5414 B11R0.124 CCCCCCNC(CO)CO 2230a_100000759517_100000210314 [0,1,0,0,0,0|2,0,0]=3 5415 B11R0.124 CCCCCCN[C@@H](CC)CO 2230a_100000709445_100000210314 [0,1,0,0,0,0|1,0,0]=2 5416 B11R0.124 CCCCCCOC(CC)CC 7a_100000210259_100000210505 [0,1,0,0,0,0|2,0,0]=3 5417 B11R0.124 CCCCCCOC(CC)CC 7a_100000688536_100000210314 [0,1,0,0,0,0|2,0,0]=3 5418 B11R0.124 CCCCCCOC(CCl)CCl 7a_100000737055_100000210314 [0,1,0,0,0,0|3,0,0]=4 5419 B11R0.124 CCCCCCOC(CF)CF 34a_100000032261_100000210314 [0,1,0,0,0,0|3,0,0]=4 5420 B11R0.124 CCCCCCOC(CF)CF 7a_100000032261_100000210314 [0,1,0,0,0,0|3,0,0]=4 5421 B11R0.124 CCCCCCOC(CN)CN 34a_100000031598_100000210314 [0,1,0,0,0,0|3,0,0]=4 5422 B11R0.124 CCCCCCO[C@@H](CF)CCl 34a_100015614560_100000210314 [0,1,0,0,0,0|3,0,0]=4 5423 B11R0.124 CCCCCCO[C@@H](CF)CCl 7a_100015614560_100000210314 [0,1,0,0,0,0|3,0,0]=4 5424 B11R0.124 CCCCCCSC(CC)CC 62a_100000210314_100000210505 [0,1,0,0,0,0|2,0,0]=3 5425 B11R0.124 CCCCCCSC(CC)CC 62a_100000210505_100000210757 [0,1,0,0,0,0|2,0,0]=3 5426 B11R0.124 CCCCCNCC(CC)CC 2230a_100000209983_100011215472 [0,1,0,0,0,0|2,0,0]=3 5427 B11R0.124 CCCCCNCC(CC)CC 2230a_100102946423_100000210326 [0,1,0,0,0,0|2,0,0]=3 5428 B11R0.124 CCCCCNCC(CC)CC 269862a_100000209983_100000211137 [0,1,0,0,0,0|2,0,0]=3 5429 B11R0.124 CCCCCNCC(CC)CC 270004a_100000209983_100000211137 [0,1,0,0,0,0|2,0,0]=3 5430 B11R0.124 CCCCCNCC(OC)OC 2230a_100000209983_100000751394 [0,1,0,0,0,0|2,0,0]=3 5431 B11R0.124 CCCCCNCC(OC)OC 270004a_100000209983_100000752162 [0,1,0,0,0,0|2,0,0]=3 5432 B11R0.124 CCCCCNN=C(CC)CO 4a_100000694160_100000725409 [0,1,0,0,0,0|2,0,1]=4 5433 B11R0.124 CCCCCOCC(CC)CC 34a_100000210253_100011215472 [0,1,0,0,0,0|2,0,0]=3 5434 B11R0.124 CCCCCOCC(CC)CC 7a_100000210253_100011215472 [0,1,0,0,0,0|2,0,0]=3 5435 B11R0.124 CCCCCOCC(CC)CC 7a_100000703878_100000210326 [0,1,0,0,0,0|2,0,0]=3 5436 B11R0.124 CCCCCOCC(CC)OC 34a_100011934954_100000718602 [0,1,0,0,0,0|1,0,0]=2 5437 B11R0.124 CCCCCOCC(CC)OC 7a_100011934954_100000210326 [0,1,0,0,0,0|1,0,0]=2 5438 B11R0.124 CCCCCOCC(OC)OC 34a_100000210253_100000211822 [0,1,0,0,0,0|2,0,0]=3 5439 B11R0.124 CCCCCOCC(OC)OC 34a_100011216393_100000718602 [0,1,0,0,0,0|2,0,0]=3 5440 B11R0.124 CCCCCOCC(OC)OC 7a_100000210253_100000751394 [0,1,0,0,0,0|2,0,0]=3 5441 B11R0.124 CCCCCOCN(CC)CC 7a_200015374951_100000210326 [0,1,0,0,0,0|3,0,0]=4 5442 B11R0.124 CCCCCSCC(CC)CC 62a_100000210326_100011215472 [0,1,0,0,0,0|2,0,0]=3 5443 B11R0.124 CCCCCSCC(CC)CC 62a_100011215472_100000210326 [0,1,0,0,0,0|2,0,0]=3 5444 B11R0.124 CCCCCSCC(OC)OC 62a_100000210326_100000751394 [0,1,0,0,0,0|2,0,0]=3 5445 B11R0.124 CCCCCSCC(OC)OC 62a_100000751394_100000210326 [0,1,0,0,0,0|2,0,0]=3 5446 B11R0.124 CCCCNCCC(OC)OC 2230a_100000102301_100009813347 [0,1,0,0,0,0|2,0,0]=3 5447 B11R0.124 CCCCNCCC(OC)OC 7a_106832991798_100009813347 [0,1,0,0,0,0|2,0,0]=3 5448 B11R0.124 CCCCNCCN(CC)CC 2230a_100000102301_100000700428 [0,1,0,0,0,0|3,0,0]=4 5449 B11R0.124 CCCCNCCN(CC)CC 2230a_100015382049_100000210211 [0,1,0,0,0,0|3,0,0]=4 5450 B11R0.124 CCCCNCCN(CC)CC 7a_106832991798_100000700428 [0,1,0,0,0,0|3,0,0]=4 5451 B11R0.124 CCCCOCCC(OC)OC 34a_100000210227_100000139399 [0,1,0,0,0,0|2,0,0]=3 5452 B11R0.124 CCCCOCCC(OC)OC 7a_100000210227_100009813347 [0,1,0,0,0,0|2,0,0]=3 5453 B11R0.124 CCCCOCCN(CC)CC 2230a_100000724800_100000743108 [0,1,0,0,0,0|3,0,0]=4 5454 B11R0.124 CCCCOCCN(CC)CC 269956a_100000042499_100000743108 [0,1,0,0,0,0|3,0,0]=4 5455 B11R0.124 CCCCOCCN(CC)CC 269982a_100000724800_100000743108 [0,1,0,0,0,0|3,0,0]=4 5456 B11R0.124 CCCCOCCN(CC)CC 7a_100000210227_100000700428 [0,1,0,0,0,0|3,0,0]=4 5457 B11R0.124 CCCCOCCN(CC)CC 7a_100016990331_100000210211 [0,1,0,0,0,0|3,0,0]=4 5458 B11R0.124 CCCCOCNC(CC)CC 2230a_100000199018_100011995733 [0,1,0,0,0,0|3,0,0]=4 5459 B11R0.124 CCCCOCNC(CO)CO 2230a_100000759517_100011995733 [0,1,0,0,0,0|3,0,0]=4 5460 B11R0.124 CCCCOCN[C@@H](CC)CO 2230a_100000709445_100011995733 [0,1,0,0,0,0|2,0,0]=3 5461 B11R0.124 CCCCOCSC(CC)CC 62a_100000210505_100011995733 [0,1,0,0,0,0|3,0,0]=4 5462 B11R0.124 CCCCOCSC(CC)CC 62a_100011995733_100000210505 [0,1,0,0,0,0|3,0,0]=4 5463 B11R0.124 CCCCSCCC(OC)OC 62a_100000139399_100000210210 [0,1,0,0,0,0|2,0,0]=3 5464 B11R0.124 CCCCSCCC(OC)OC 62a_100000210211_100000139399 [0,1,0,0,0,0|2,0,0]=3 5465 B11R0.124 CCCCSCCN(CC)CC 62a_100000210211_100000700428 [0,1,0,0,0,0|3,0,0]=4 5466 B11R0.124 CCCOCCCC(OC)OC 34a_100000210258_100000069011 [0,1,0,0,0,0|2,0,0]=3 5467 B11R0.124 CCCOCCCN(CC)CC 7a_100000212844_100000210303 [0,1,0,0,0,0|3,0,0]=4 5468 B11R0.124 CCCOCCNC(CC)CC 2230a_100000199018_100011215938 [0,1,0,0,0,0|3,0,0]=4 5469 B11R0.124 CCCOCCNC(CC)CC 270004a_100161115042_100000210860 [0,1,0,0,0,0|3,0,0]=4 5470 B11R0.124 CCCOCCNC(CO)CO 2230a_100000759517_100011215938 [0,1,0,0,0,0|3,0,0]=4 5471 B11R0.124 CCCOCCN[C@@H](CC)CO 2230a_100000709445_100011215938 [0,1,0,0,0,0|2,0,0]=3 5472 B11R0.124 CCCOCCOC(CC)CC 7a_100000688536_100011215938 [0,1,0,0,0,0|3,0,0]=4 5473 B11R0.124 CCCOCCOC(CC)CC 7a_100000752267_100000210505 [0,1,0,0,0,0|3,0,0]=4 5474 B11R0.124 CCCOCCSC(CC)CC 62a_100000210505_100011215938 [0,1,0,0,0,0|3,0,0]=4 5475 B11R0.124 CCCOCCSC(CC)CC 62a_100011215938_100000210505 [0,1,0,0,0,0|3,0,0]=4 5476 B11R0.124 CCCSCCCC(OC)OC 62a_100000069011_100000210303 [0,1,0,0,0,0|2,0,0]=3 5477 B11R0.124 CCCSCCCC(OC)OC 62a_100000210303_100000069011 [0,1,0,0,0,0|2,0,0]=3 5478 B11R0.124 CCCSCCCN(CC)CC 62a_100000210303_100000709985 [0,1,0,0,0,0|3,0,0]=4 5479 B11R0.124 CCCSCCNC(CC)CC 270004a_100020603323_100000210860 [0,1,0,0,0,0|3,0,0]=4 5480 B11R0.124 CCCSCCOC(CC)CC 7a_200000230433_100000210505 [0,1,0,0,0,0|3,0,0]=4 5481 B11R0.124 CCN(CC)CCCCCCF 2230a_100000724800_100015922095 [0,1,0,0,0,0|3,0,0]=4 5482 B11R0.124 CCN(CC)CCCCCCF 269956a_100000042499_100015922095 [0,1,0,0,0,0|3,0,0]=4 5483 B11R0.124 CCN(CC)CCCCCCF 269982a_100000724800_100015922095 [0,1,0,0,0,0|3,0,0]=4 5484 B11R0.124 CCN(CC)CCCCCCO 2230a_100000724800_100000766143 [0,1,0,0,0,0|3,0,0]=4 5485 B11R0.124 CCN(CC)CCCCCCO 269956a_100000042499_100000766143 [0,1,0,0,0,0|3,0,0]=4 5486 B11R0.124 CCN(CC)CCCCCCO 269982a_100000724800_100000766143 [0,1,0,0,0,0|3,0,0]=4 5487 B11R0.124 CCN(CC)CCCCCNC 2230a_100011491781_200000210301 [0,1,0,0,0,0|3,0,0]=4 5488 B11R0.124 CCN(CC)CCCCCN[13CH3] 2230a_100011491781_200025704644 [0,1,0,0,0,0|3,0,0]=4 5489 B11R0.124 CCN(CC)CCCCCOC 7a_200011629222_200000210301 [0,1,0,0,0,0|3,0,0]=4 5490 B11R0.124 CCN(CC)CCCCCO[13CH3] 7a_200011629222_200025704644 [0,1,0,0,0,0|3,0,0]=4 5491 B11R0.124 CCNCCCCN(CC)CC 2230a_100000743895_100000210202 [0,1,0,0,0,0|3,0,0]=4 5492 B11R0.124 CCOCCCCN(CC)CC 7a_100011305530_100000210202 [0,1,0,0,0,0|3,0,0]=4 5493 B11R0.124 CCOCCCCN(CC)N=O 34a_200000035056_100000210202 [0,1,0,0,0,0|2,0,1]=4 5494 B11R0.124 CCOCCCNC(CC)CC 2230a_100000199018_100012232248 [0,1,0,0,0,0|3,0,0]=4 5495 B11R0.124 CCOCCCNC(CC)CC 270004a_100000210961_100000210860 [0,1,0,0,0,0|3,0,0]=4 5496 B11R0.124 CCOCCCNC(CO)CO 2230a_100000759517_100012232248 [0,1,0,0,0,0|3,0,0]=4 5497 B11R0.124 CCOCCCN[C@@H](CC)CO 2230a_100000709445_100012232248 [0,1,0,0,0,0|2,0,0]=3 5498 B11R0.124 CCOCCCOC(CC)CC 7a_100000688536_100012232248 [0,1,0,0,0,0|3,0,0]=4 5499 B11R0.124 CCOCCCOC(CC)CC 7a_100000757476_100000210505 [0,1,0,0,0,0|3,0,0]=4 5500 B11R0.124 CCOCCCSC(CC)CC 62a_100000210505_100012232248 [0,1,0,0,0,0|3,0,0]=4 5501 B11R0.124 CCOCCCSC(CC)CC 62a_100012232248_100000210505 [0,1,0,0,0,0|3,0,0]=4 5502 B11R0.124 CCOCCNCC(CC)CC 2230a_100102946423_100011215890 [0,1,0,0,0,0|3,0,0]=4 5503 B11R0.124 CCOCCNCC(CC)CC 2230a_102516460346_100011215472 [0,1,0,0,0,0|3,0,0]=4 5504 B11R0.124 CCOCCNCC(CC)CC 269862a_100011200944_100000211137 [0,1,0,0,0,0|3,0,0]=4 5505 B11R0.124 CCOCCNCC(CC)CC 270004a_102516460346_100000211137 [0,1,0,0,0,0|3,0,0]=4 5506 B11R0.124 CCOCCNCC(CC)CC 34a_102516460346_100011215472 [0,1,0,0,0,0|3,0,0]=4 5507 B11R0.124 CCOCCNCC(OC)OC 2230a_102516460346_100000751394 [0,1,0,0,0,0|3,0,0]=4 5508 B11R0.124 CCOCCNCC(OC)OC 270004a_102516460346_100000752162 [0,1,0,0,0,0|3,0,0]=4 5509 B11R0.124 CCOCCNCC(OC)OC 34a_102516460346_100000211822 [0,1,0,0,0,0|3,0,0]=4 5510 B11R0.124 CCOCCOCC(CC)CC 34a_100000210136_100011215472 [0,1,0,0,0,0|3,0,0]=4 5511 B11R0.124 CCOCCOCC(CC)CC 7a_100000210136_100011215472 [0,1,0,0,0,0|3,0,0]=4 5512 B11R0.124 CCOCCOCC(CC)CC 7a_100000703878_100011215890 [0,1,0,0,0,0|3,0,0]=4 5513 B11R0.124 CCOCCOCC(CC)OC 34a_100011934954_100000210147 [0,1,0,0,0,0|2,0,0]=3 5514 B11R0.124 CCOCCOCC(CC)OC 7a_100011934954_100011215890 [0,1,0,0,0,0|2,0,0]=3 5515 B11R0.124 CCOCCOCC(OC)OC 34a_100000210136_100000211822 [0,1,0,0,0,0|3,0,0]=4 5516 B11R0.124 CCOCCOCC(OC)OC 34a_100011216393_100000210147 [0,1,0,0,0,0|3,0,0]=4 5517 B11R0.124 CCOCCOCC(OC)OC 7a_100000210136_100000751394 [0,1,0,0,0,0|3,0,0]=4 5518 B11R0.124 CCOCCSCC(CC)CC 62a_100000210147_100011215472 [0,1,0,0,0,0|3,0,0]=4 5519 B11R0.124 CCOCCSCC(CC)CC 62a_100011215472_100011215890 [0,1,0,0,0,0|3,0,0]=4 5520 B11R0.124 CCOCCSCC(OC)OC 62a_100000210147_100000751394 [0,1,0,0,0,0|3,0,0]=4 5521 B11R0.124 CCOCCSCC(OC)OC 62a_100000751394_100011215890 [0,1,0,0,0,0|3,0,0]=4 5522 B11R0.124 CCOCSCCC(OC)OC 62a_100000139399_100000739092 [0,1,0,0,0,0|3,0,0]=4 5523 B11R0.124 CCOCSCCC(OC)OC 62a_100000739092_100000139399 [0,1,0,0,0,0|3,0,0]=4 5524 B11R0.124 CCSCCCOC(CC)CC 7a_100011216438_100000210505 [0,1,0,0,0,0|3,0,0]=4 5525 B11R0.124 CCSCCNCC(CC)CC 2230a_100000106463_100011215472 [0,1,0,0,0,0|3,0,0]=4 5526 B11R0.124 CCSCCNCC(CC)CC 2230a_100102946423_100000757381 [0,1,0,0,0,0|3,0,0]=4 5527 B11R0.124 CCSCCNCC(CC)CC 269862a_100000106463_100000211137 [0,1,0,0,0,0|3,0,0]=4 5528 B11R0.124 CCSCCNCC(CC)CC 270004a_100000106463_100000211137 [0,1,0,0,0,0|3,0,0]=4 5529 B11R0.124 CCSCCNCC(OC)OC 2230a_100000106463_100000751394 [0,1,0,0,0,0|3,0,0]=4 5530 B11R0.124 CCSCCNCC(OC)OC 270004a_100000106463_100000752162 [0,1,0,0,0,0|3,0,0]=4 5531 B11R0.124 CCSCCOCC(CC)CC 34a_100000212035_100011215472 [0,1,0,0,0,0|3,0,0]=4 5532 B11R0.124 CCSCCOCC(CC)CC 7a_100000212035_100011215472 [0,1,0,0,0,0|3,0,0]=4 5533 B11R0.124 CCSCCOCC(CC)CC 7a_100000703878_100000757381 [0,1,0,0,0,0|3,0,0]=4 5534 B11R0.124 CCSCCOCC(CC)OC 34a_100011934954_100000757381 [0,1,0,0,0,0|2,0,0]=3 5535 B11R0.124 CCSCCOCC(CC)OC 7a_100011934954_100000757381 [0,1,0,0,0,0|2,0,0]=3 5536 B11R0.124 CCSCCOCC(OC)OC 34a_100000212035_100000211822 [0,1,0,0,0,0|3,0,0]=4 5537 B11R0.124 CCSCCOCC(OC)OC 34a_100011216393_100000757381 [0,1,0,0,0,0|3,0,0]=4 5538 B11R0.124 CCSCCOCC(OC)OC 7a_100000212035_100000751394 [0,1,0,0,0,0|3,0,0]=4 5539 B11R0.124 CCSCCSCC(CC)CC 62a_100000757381_100011215472 [0,1,0,0,0,0|3,0,0]=4 5540 B11R0.124 CCSCCSCC(CC)CC 62a_100011215472_100000757381 [0,1,0,0,0,0|3,0,0]=4 5541 B11R0.124 CCSCCSCC(OC)OC 62a_100000751394_100000757381 [0,1,0,0,0,0|3,0,0]=4 5542 B11R0.124 CCSCCSCC(OC)OC 62a_100000757381_100000751394 [0,1,0,0,0,0|3,0,0]=4 5543 B11R0.124 CC[C@@H](CO)NCCCCC#N 2230a_100000709445_100000211819 [0,1,0,0,0,0|2,0,1]=4 5544 B11R0.124 CC[C@@H](CO)NCCCCC=O 2230a_100000709445_100000139335 [0,1,0,0,0,0|2,0,1]=4 5545 B11R0.124 CC[C@@H](CO)NCCCCCF 2230a_100000709445_100000729378 [0,1,0,0,0,0|2,0,0]=3 5546 B11R0.124 CC[C@@H](CO)NCCCCCO 2230a_100000709445_100000746330 [0,1,0,0,0,0|2,0,0]=3 5547 B11R0.124 CC[C@@H](CO)NCCCCOC 2230a_100000709445_100000730899 [0,1,0,0,0,0|2,0,0]=3 5548 B11R0.124 CC[C@@H](CO)NCCOCCO 2230a_100000709445_100011215305 [0,1,0,0,0,0|3,0,0]=4 5549 B11R0.124 CC[C@@H](CO)NCOCCOC 2230a_100000709445_100000231047 [0,1,0,0,0,0|3,0,0]=4 5550 B11R0.124 CNCCCOCC(OC)OC 34a_100000213112_100000211822 [0,1,0,0,0,0|3,0,0]=4 5551 B11R0.124 COC(CCCNCCF)OC 34a_100000724931_100000069011 [0,1,0,0,0,0|3,0,0]=4 5552 B11R0.124 COC(CCCNCCO)OC 2230a_100016997473_100000069011 [0,1,0,0,0,0|3,0,0]=4 5553 B11R0.124 COC(CCCNCCO)OC 34a_100016990907_100000069011 [0,1,0,0,0,0|3,0,0]=4 5554 B11R0.124 COC(CCCOCCBr)OC 34a_100000211926_100000069011 [0,1,0,0,0,0|3,0,0]=4 5555 B11R0.124 COC(CCCOCCN)OC 34a_100000210304_100000069011 [0,1,0,0,0,0|3,0,0]=4 5556 B11R0.124 COC(CCCSCCF)OC 62a_100000069011_100011217306 [0,1,0,0,0,0|3,0,0]=4 5557 B11R0.124 COC(CCCSCCF)OC 62a_100011217306_100000069011 [0,1,0,0,0,0|3,0,0]=4 5558 B11R0.124 COC(CCCSCCO)OC 62a_100000069011_100000211926 [0,1,0,0,0,0|3,0,0]=4 5559 B11R0.124 COC(CCCSCCO)OC 62a_100000211926_100000069011 [0,1,0,0,0,0|3,0,0]=4 5560 B11R0.124 COC(CCCSCSC)OC 62a_100000069011_100011218213 [0,1,0,0,0,0|3,0,0]=4 5561 B11R0.124 COC(CCCSCSC)OC 62a_100011218213_100000069011 [0,1,0,0,0,0|3,0,0]=4 5562 B11R0.124 COC(CCNCCCF)OC 2230a_100015189416_100009813347 [0,1,0,0,0,0|3,0,0]=4 5563 B11R0.124 COC(CCNCCCF)OC 34a_100015189416_100000139399 [0,1,0,0,0,0|3,0,0]=4 5564 B11R0.124 COC(CCNCCSC)OC 2230a_100020590264_100009813347 [0,1,0,0,0,0|3,0,0]=4 5565 B11R0.124 COC(CCOCCCBr)OC 34a_100011217188_100000139399 [0,1,0,0,0,0|3,0,0]=4 5566 B11R0.124 COC(CCOCCCCl)OC 34a_100000230001_100000139399 [0,1,0,0,0,0|3,0,0]=4 5567 B11R0.124 COC(CCOCCCF)OC 34a_100000759539_100000139399 [0,1,0,0,0,0|3,0,0]=4 5568 B11R0.124 COC(CCOCCCN)OC 34a_100000182051_100000139399 [0,1,0,0,0,0|3,0,0]=4 5569 B11R0.124 COC(CCOCCSC)OC 34a_100000230434_100000139399 [0,1,0,0,0,0|3,0,0]=4 5570 B11R0.124 COC(CCOCCSC)OC 7a_100000230434_100009813347 [0,1,0,0,0,0|3,0,0]=4 5571 B11R0.124 COC(CCSCCCF)OC 62a_100000139399_100011934791 [0,1,0,0,0,0|3,0,0]=4 5572 B11R0.124 COC(CCSCCCF)OC 62a_100011934791_100000139399 [0,1,0,0,0,0|3,0,0]=4 5573 B11R0.124 COC(CCSCCCO)OC 62a_100000139399_100011215043 [0,1,0,0,0,0|3,0,0]=4 5574 B11R0.124 COC(CCSCCCO)OC 62a_100011215043_100000139399 [0,1,0,0,0,0|3,0,0]=4 5575 B11R0.124 COC(CCSCCSC)OC 62a_100000139399_100000751147 [0,1,0,0,0,0|3,0,0]=4 5576 B11R0.124 COC(CCSCCSC)OC 62a_100000212216_100000139399 [0,1,0,0,0,0|3,0,0]=4 5577 B11R0.124 COC(CNCCCCO)OC 2230a_100000750430_100000751394 [0,1,0,0,0,0|3,0,0]=4 5578 B11R0.124 COC(CNCCCCO)OC 270004a_100000750430_100000752162 [0,1,0,0,0,0|3,0,0]=4 5579 B11R0.124 COC(CNCCCCO)OC 34a_100000750430_100000211822 [0,1,0,0,0,0|3,0,0]=4 5580 B11R0.124 COC(CNCCCSC)OC 2230a_100000749238_100000751394 [0,1,0,0,0,0|3,0,0]=4 5581 B11R0.124 COC(CNCCCSC)OC 270004a_100000749238_100000752162 [0,1,0,0,0,0|3,0,0]=4 5582 B11R0.124 COC(COCCCCBr)OC 34a_100011216708_100000211822 [0,1,0,0,0,0|3,0,0]=4 5583 B11R0.124 COC(COCCCCCl)OC 34a_100000210776_100000211822 [0,1,0,0,0,0|3,0,0]=4 5584 B11R0.124 COC(COCCCCCl)OC 7a_100000210776_100000751394 [0,1,0,0,0,0|3,0,0]=4 5585 B11R0.124 COC(COCCCCF)OC 34a_100011216393_100000729493 [0,1,0,0,0,0|3,0,0]=4 5586 B11R0.124 COC(COCCCCF)OC 34a_100011995726_100000211822 [0,1,0,0,0,0|3,0,0]=4 5587 B11R0.124 COC(COCCCCF)OC 7a_100011995726_100000751394 [0,1,0,0,0,0|3,0,0]=4 5588 B11R0.124 COC(COCCCCI)OC 34a_200012148704_100000211822 [0,1,0,0,0,0|3,0,0]=4 5589 B11R0.124 COC(COCCCCN)OC 34a_100000750430_100000211822 [0,1,0,0,0,0|3,0,0]=4 5590 B11R0.124 COC(COCCCCO)OC 34a_100011216393_100011216708 [0,1,0,0,0,0|3,0,0]=4 5591 B11R0.124 COC(COCCCSC)OC 34a_100000690336_100000211822 [0,1,0,0,0,0|3,0,0]=4 5592 B11R0.124 COC(COCCCSC)OC 7a_100000690336_100000751394 [0,1,0,0,0,0|3,0,0]=4 5593 B11R0.124 COC(CSCCCCF)OC 62a_100000729493_100000751394 [0,1,0,0,0,0|3,0,0]=4 5594 B11R0.124 COC(CSCCCCF)OC 62a_100000751394_100000729493 [0,1,0,0,0,0|3,0,0]=4 5595 B11R0.124 COC(CSCCCCO)OC 62a_100000210776_100000751394 [0,1,0,0,0,0|3,0,0]=4 5596 B11R0.124 COC(CSCCCCO)OC 62a_100000751394_100000210776 [0,1,0,0,0,0|3,0,0]=4 5597 B11R0.124 COCCCCNC(CO)CO 2230a_100000759517_100000730899 [0,1,0,0,0,0|3,0,0]=4 5598 B11R0.124 COCCCNCC(OC)OC 270004a_100150723488_100000752162 [0,1,0,0,0,0|3,0,0]=4 5599 B11R0.124 COCCCNCC(OC)OC 34a_100150723488_100000211822 [0,1,0,0,0,0|3,0,0]=4 5600 B11R0.124 COCCCOCC(OC)OC 34a_100000740835_100000211822 [0,1,0,0,0,0|3,0,0]=4 5601 B11R0.124 COCCCOCC(OC)OC 34a_100011216393_100000740836 [0,1,0,0,0,0|3,0,0]=4 5602 B11R0.124 COCCCSCC(OC)OC 62a_100000709357_100000751394 [0,1,0,0,0,0|3,0,0]=4 5603 B11R0.124 COCCCSCC(OC)OC 62a_100000751394_100000709357 [0,1,0,0,0,0|3,0,0]=4 5604 B11R0.124 COCCNCCC(OC)OC 2230a_100000209980_100009813347 [0,1,0,0,0,0|3,0,0]=4 5605 B11R0.124 COCCOCCC(OC)OC 34a_100000210237_100000139399 [0,1,0,0,0,0|3,0,0]=4 5606 B11R0.124 COCCSCCC(OC)OC 62a_100000139399_100000233755 [0,1,0,0,0,0|3,0,0]=4 5607 B11R0.124 COCCSCCC(OC)OC 62a_100000233755_100000139399 [0,1,0,0,0,0|3,0,0]=4 5608 B11R0.124 COCSCCCC(OC)OC 62a_100000069011_100000766300 [0,1,0,0,0,0|3,0,0]=4 5609 B11R0.124 COCSCCCC(OC)OC 62a_100000766300_100000069011 [0,1,0,0,0,0|3,0,0]=4 5610 B11R0.124 OCC(CO)NCCCCCF 2230a_100000759517_100000729378 [0,1,0,0,0,0|3,0,0]=4 5611 B11R0.124 OCCCCCNC(CO)CO 2230a_100000759517_100000746330 [0,1,0,0,0,0|3,0,0]=4 5612 B11R0.142 C#CCCCCC(=O)C(O)CC 1458a_100011196387_100010269958 [0,1,0,0,0,0|0,0,3]=4 5613 B11R0.142 C=CCCCCC(=O)C(O)CC 1458a_100011196387_100011215482 [0,1,0,0,0,0|0,0,3]=4 5614 B11R0.142 CC/C=C\CCC(=O)C(O)CC 1458a_100011196387_100015370543 [0,1,0,0,0,0|0,0,3]=4 5615 B11R0.142 CCC(C)C(=O)CCCCCF 1458a_100011192722_100000729378 [0,1,0,0,0,0|2,0,1]=4 5616 B11R0.142 CCC(C)C(=O)CCCCCO 1458a_100011192722_100000746330 [0,1,0,0,0,0|2,0,1]=4 5617 B11R0.142 CCC(C)C(=O)CCCCCO 1458a_100102619762_100000758301 [0,1,0,0,0,0|2,0,1]=4 5618 B11R0.142 CCC(C)C(=O)CCCCOC 1458a_100011192722_100000755781 [0,1,0,0,0,0|2,0,1]=4 5619 B11R0.142 CCC(C)C(C)NCCCCO 269862a_100000750430_100000210599 [0,1,0,0,0,0|3,0,0]=4 5620 B11R0.142 CCC(C)C(C)NCCCCO 270004a_100000750430_100000210599 [0,1,0,0,0,0|3,0,0]=4 5621 B11R0.142 CCC(C)C(C)NCCCOC 269862a_100150723488_100000210599 [0,1,0,0,0,0|3,0,0]=4 5622 B11R0.142 CCC(C)C(C)NCCCOC 270004a_100150723488_100000210599 [0,1,0,0,0,0|3,0,0]=4 5623 B11R0.142 CCC(C)C(C)NCCCSC 269862a_100000749238_100000210599 [0,1,0,0,0,0|3,0,0]=4 5624 B11R0.142 CCC(C)C(C)NCCCSC 270004a_100000749238_100000210599 [0,1,0,0,0,0|3,0,0]=4 5625 B11R0.142 CCC(C)C(C)OCCCCF 7a_100011215189_100000729493 [0,1,0,0,0,0|3,0,0]=4 5626 B11R0.142 CCC(C)C(C)OCCCCO 7a_100011215189_100000210776 [0,1,0,0,0,0|3,0,0]=4 5627 B11R0.142 CCC(C)C(C)OCCCOC 7a_100011215189_100000740836 [0,1,0,0,0,0|3,0,0]=4 5628 B11R0.142 CCC(C)N(C)CCCCCF 2230a_100000741768_100000729378 [0,1,0,0,0,0|3,0,0]=4 5629 B11R0.142 CCC(C)N(C)CCCCCF 269982a_100000741768_100000729378 [0,1,0,0,0,0|3,0,0]=4 5630 B11R0.142 CCC(C)N(C)CCCCCO 2230a_100000722520_100000758301 [0,1,0,0,0,0|3,0,0]=4 5631 B11R0.142 CCC(C)N(C)CCCCCO 2230a_100000741768_100000746330 [0,1,0,0,0,0|3,0,0]=4 5632 B11R0.142 CCC(C)N(C)CCCCCO 269982a_100000722520_100000758301 [0,1,0,0,0,0|3,0,0]=4 5633 B11R0.142 CCC(C)N(C)CCCCCO 269982a_100000741768_100000746330 [0,1,0,0,0,0|3,0,0]=4 5634 B11R0.142 CCC(C)N(C)CCCCOC 2230a_100000741768_100000730899 [0,1,0,0,0,0|3,0,0]=4 5635 B11R0.142 CCC(C)N(C)CCCCOC 269982a_100000741768_100000730899 [0,1,0,0,0,0|3,0,0]=4 5636 B11R0.142 CCC(O)C(=O)CCCCC#N 1458a_100011196387_100000211819 [0,1,0,0,0,0|1,0,2]=4 5637 B11R0.142 CCC(O)C(=O)CCCCCF 1458a_100011196387_100000729378 [0,1,0,0,0,0|1,0,1]=3 5638 B11R0.142 CCC(O)C(=O)CCCCCO 1458a_100011196387_100000746330 [0,1,0,0,0,0|1,0,1]=3 5639 B11R0.142 CCC(O)C(=O)CCCCOC 1458a_100011196387_100000755781 [0,1,0,0,0,0|1,0,1]=3 5640 B11R0.142 CCC(O)C(=O)CCOCCO 1458a_100011196387_100011215305 [0,1,0,0,0,0|2,0,1]=4 5641 B11R0.142 CCC(O)C(=O)NCCCCO 240690a_100000750430_100011196387 [0,1,0,0,0,0|2,0,1]=4 5642 B11R0.142 CCC(O)C(=O)NCCCOC 240690a_100150723488_100011196387 [0,1,0,0,0,0|2,0,1]=4 5643 B11R0.142 CCC(O)C(=O)NCCCSC 240690a_100000749238_100011196387 [0,1,0,0,0,0|2,0,1]=4 5644 B11R0.142 CCCCCCC(=O)C(C)CC 1458a_100011192722_100000210757 [0,1,0,0,0,0|1,0,1]=3 5645 B11R0.142 CCCCCCC(=O)C(C)CC 1458a_100102632555_100000758301 [0,1,0,0,0,0|1,0,1]=3 5646 B11R0.142 CCCCCCC(=O)C(C)OC 1458a_100000743197_100000210757 [0,1,0,0,0,0|2,0,1]=4 5647 B11R0.142 CCCCCCC(=O)C(C)SC 1458a_100000149566_100000210757 [0,1,0,0,0,0|2,0,1]=4 5648 B11R0.142 CCCCCCC(=O)C(O)CC 1458a_100011196387_100000210757 [0,1,0,0,0,0|0,0,1]=2 5649 B11R0.142 CCCCCCC(=O)C(O)CO 1458a_100011215603_100000210757 [0,1,0,0,0,0|1,0,1]=3 5650 B11R0.142 CCCCCCC(=O)N(C)CC 11a_100000225621_100102632555 [0,1,0,0,0,0|2,0,1]=4 5651 B11R0.142 CCCCCCC(=O)N(C)CC 1626a_100000225621_100102632555 [0,1,0,0,0,0|2,0,1]=4 5652 B11R0.142 CCCCCCC(=O)N(C)CC 240690a_100000225621_100102632555 [0,1,0,0,0,0|2,0,1]=4 5653 B11R0.142 CCCCCCC(=O)N(C)CC 527a_100000225621_100102632555 [0,1,0,0,0,0|2,0,1]=4 5654 B11R0.142 CCCCCCC(C)C(=O)CC 1458a_100000210414_100011215978 [0,1,0,0,0,0|0,0,2]=3 5655 B11R0.142 CCCCCCC(C)C(=O)CO 1458a_100000210174_100011215978 [0,1,0,0,0,0|1,0,2]=4 5656 B11R0.142 CCCCCCC(C)N(C)CC 2230a_100000225621_100011215978 [0,1,0,0,0,0|2,0,0]=3 5657 B11R0.142 CCCCCCC(C)N(C)CC 269982a_100000225621_100011215978 [0,1,0,0,0,0|2,0,0]=3 5658 B11R0.142 CCCCCCC(O)C(=O)CC 1458a_100011215828_100000210202 [0,1,0,0,0,0|0,0,2]=3 5659 B11R0.142 CCCCCCC(O)C(=O)CF 1458a_100011215828_100015361967 [0,1,0,0,0,0|1,0,2]=4 5660 B11R0.142 CCCCCCC(O)C(=O)NC 240690a_100102657272_100011215828 [0,1,0,0,0,0|1,0,2]=4 5661 B11R0.142 CCCCCCN(C)C(=O)CC 11a_106256046315_100000210414 [0,1,0,0,0,0|1,0,2]=4 5662 B11R0.142 CCCCCCN(C)C(=O)CC 1626a_106256046315_100000210414 [0,1,0,0,0,0|1,0,2]=4 5663 B11R0.142 CCCCCCN(C)C(=O)CC 240690a_106256046315_100000210414 [0,1,0,0,0,0|1,0,2]=4 5664 B11R0.142 CCCCCCN(C)C(=O)CC 527a_106256046315_100000210414 [0,1,0,0,0,0|1,0,2]=4 5665 B11R0.142 CCCCCCN(C)C(C)CC 2230a_100000741768_100000210314 [0,1,0,0,0,0|2,0,0]=3 5666 B11R0.142 CCCCCCN(C)C(C)CC 2230a_106256046315_100000758301 [0,1,0,0,0,0|2,0,0]=3 5667 B11R0.142 CCCCCCN(C)C(C)CC 269982a_100000741768_100000210757 [0,1,0,0,0,0|2,0,0]=3 5668 B11R0.142 CCCCCCN(C)C(C)CC 269982a_106256046315_100000758301 [0,1,0,0,0,0|2,0,0]=3 5669 B11R0.142 CCCCCCN(C)C(C)CO 2230a_100000693034_100000210314 [0,1,0,0,0,0|3,0,0]=4 5670 B11R0.142 CCCCCCN(C)C(C)CO 2230a_106256046315_100012180447 [0,1,0,0,0,0|3,0,0]=4 5671 B11R0.142 CCCCCCN(C)C(C)CO 269982a_100000693034_100000210757 [0,1,0,0,0,0|3,0,0]=4 5672 B11R0.142 CCCCCCN(C)C(C)OC 269982a_106256046315_100009879195 [0,1,0,0,0,0|3,0,0]=4 5673 B11R0.142 CCCCCCN(C)[C@H](C)CO 269982a_106256046315_100016084084 [0,1,0,0,0,0|3,0,0]=4 5674 B11R0.142 CCCCCNC(=O)C(C)CC 11a_100000209983_100011192722 [0,1,0,0,0,0|2,0,1]=4 5675 B11R0.142 CCCCCNC(=O)C(C)CC 1626a_100000209983_100011192722 [0,1,0,0,0,0|2,0,1]=4 5676 B11R0.142 CCCCCNC(=O)C(C)CC 240690a_100000209983_100011192722 [0,1,0,0,0,0|2,0,1]=4 5677 B11R0.142 CCCCCNC(=O)C(C)CC 527a_100000209983_100011192722 [0,1,0,0,0,0|2,0,1]=4 5678 B11R0.142 CCCCCNC(=O)C(O)CC 240690a_100000209983_100011196387 [0,1,0,0,0,0|1,0,1]=3 5679 B11R0.142 CCCCCNC(=O)C(O)CO 240690a_100000209983_100011215603 [0,1,0,0,0,0|2,0,1]=4 5680 B11R0.142 CCCCCNC(C)C(=O)CC 2230a_100000209983_100000742827 [0,1,0,0,0,0|1,0,2]=4 5681 B11R0.142 CCCCCNC(C)C(C)CC 269862a_100000209983_100000210599 [0,1,0,0,0,0|2,0,0]=3 5682 B11R0.142 CCCCCNC(C)C(C)CC 270004a_100000209983_100000210599 [0,1,0,0,0,0|2,0,0]=3 5683 B11R0.142 CCCCCOC(C)C(=O)CC 7a_100000210253_100000742827 [0,1,0,0,0,0|1,0,2]=4 5684 B11R0.142 CCCCCOC(C)C(C)CC 7a_100011215189_100000210326 [0,1,0,0,0,0|2,0,0]=3 5685 B11R0.142 CCCCCSC(C)C(=O)CC 62a_100000210326_100000742827 [0,1,0,0,0,0|1,0,2]=4 5686 B11R0.142 CCCCCSC(C)C(=O)CC 62a_100000742827_100000210326 [0,1,0,0,0,0|1,0,2]=4 5687 B11R0.142 CCCCNNC(=O)C(O)CC 22a_100025702795_100011196387 [0,1,0,0,0,0|2,0,1]=4 5688 B11R0.142 CCCCOCC(=O)C(C)CC 1458a_100000757543_100000758301 [0,1,0,0,0,0|2,0,1]=4 5689 B11R0.142 CCCCOCC(=O)C(C)CC 1458a_100011192722_100011995733 [0,1,0,0,0,0|2,0,1]=4 5690 B11R0.142 CCCCOCC(=O)C(O)CC 1458a_100011196387_100011995733 [0,1,0,0,0,0|1,0,1]=3 5691 B11R0.142 CCCCOCC(=O)C(O)CO 1458a_100011215603_100011995733 [0,1,0,0,0,0|2,0,1]=4 5692 B11R0.142 CCCCOCC(C)N(C)CC 7a_100000732741_100000210211 [0,1,0,0,0,0|3,0,0]=4 5693 B11R0.142 CCCCOCN(C)C(C)CC 2230a_100000741768_100011995733 [0,1,0,0,0,0|3,0,0]=4 5694 B11R0.142 CCCCOCN(C)C(C)CC 269982a_100000741768_100011995733 [0,1,0,0,0,0|3,0,0]=4 5695 B11R0.142 CCCCSCC(=O)C(C)CC 1458a_100000191162_100000758301 [0,1,0,0,0,0|2,0,1]=4 5696 B11R0.142 CCCOCCC(=O)C(C)CC 1458a_100011192722_100011215938 [0,1,0,0,0,0|2,0,1]=4 5697 B11R0.142 CCCOCCC(=O)C(O)CC 1458a_100011196387_100011215938 [0,1,0,0,0,0|1,0,1]=3 5698 B11R0.142 CCCOCCC(=O)C(O)CO 1458a_100011215603_100011215938 [0,1,0,0,0,0|2,0,1]=4 5699 B11R0.142 CCCOCCN(C)C(C)CC 2230a_100000741768_100011215938 [0,1,0,0,0,0|3,0,0]=4 5700 B11R0.142 CCCOCCN(C)C(C)CC 269982a_100000741768_100011215938 [0,1,0,0,0,0|3,0,0]=4 5701 B11R0.142 CCOCCCC(=O)C(C)CC 1458a_100011192722_100012232248 [0,1,0,0,0,0|2,0,1]=4 5702 B11R0.142 CCOCCCC(=O)C(O)CC 1458a_100011196387_100012232248 [0,1,0,0,0,0|1,0,1]=3 5703 B11R0.142 CCOCCCC(=O)C(O)CO 1458a_100011215603_100012232248 [0,1,0,0,0,0|2,0,1]=4 5704 B11R0.142 CCOCCCN(C)C(C)CC 2230a_100000741768_100012232248 [0,1,0,0,0,0|3,0,0]=4 5705 B11R0.142 CCOCCCN(C)C(C)CC 269982a_100000741768_100012232248 [0,1,0,0,0,0|3,0,0]=4 5706 B11R0.142 CCOCCNC(=O)C(O)CC 240690a_100011200944_100011196387 [0,1,0,0,0,0|2,0,1]=4 5707 B11R0.142 CCOCCNC(C)C(C)CC 269862a_100011200944_100000210599 [0,1,0,0,0,0|3,0,0]=4 5708 B11R0.142 CCOCCNC(C)C(C)CC 270004a_102516460346_100000210599 [0,1,0,0,0,0|3,0,0]=4 5709 B11R0.142 CCOCCOC(C)C(C)CC 7a_100011215189_100011215890 [0,1,0,0,0,0|3,0,0]=4 5710 B11R0.142 CCSCCNC(=O)C(O)CC 240690a_100000106463_100011196387 [0,1,0,0,0,0|2,0,1]=4 5711 B11R0.142 CCSCCNC(C)C(C)CC 269862a_100000106463_100000210599 [0,1,0,0,0,0|3,0,0]=4 5712 B11R0.142 CCSCCNC(C)C(C)CC 270004a_100000106463_100000210599 [0,1,0,0,0,0|3,0,0]=4 5713 B11R0.142 CCSCCOC(C)C(C)CC 7a_100011215189_100000757381 [0,1,0,0,0,0|3,0,0]=4 5714 B11R0.142 COCCCCC(=O)C(O)CO 1458a_100011215603_100000755781 [0,1,0,0,0,0|2,0,1]=4 5715 B11R0.142 O=C(CCCCCF)C(O)CO 1458a_100011215603_100000729378 [0,1,0,0,0,0|2,0,1]=4 5716 B11R0.142 O=C(CCCCCO)C(O)CO 1458a_100011215603_100000746330 [0,1,0,0,0,0|2,0,1]=4 5717 B11R0.154 C#CCCCC(=O)CC(O)CC 1458a_100000690238_100011218378 [0,1,0,0,0,0|0,0,3]=4 5718 B11R0.154 C#CCCCC(=O)CC(O)CC 1458a_100011667805_100000731252 [0,1,0,0,0,0|0,0,3]=4 5719 B11R0.154 C=CC(O)CN(C)CCCCC 2230a_100000223495_100000730141 [0,1,0,0,0,0|1,0,2]=4 5720 B11R0.154 C=CCCCC(=O)CC(O)CC 1458a_100000766728_100011218378 [0,1,0,0,0,0|0,0,3]=4 5721 B11R0.154 C=CCCCC(=O)CC(O)CC 1458a_100011667805_100000757094 [0,1,0,0,0,0|0,0,3]=4 5722 B11R0.154 CC/C=C/CC(=O)CC(O)CC 1458a_100016274230_100011218378 [0,1,0,0,0,0|0,0,3]=4 5723 B11R0.154 CC/C=C\CC(=O)CC(O)CC 1458a_100011667805_100103147603 [0,1,0,0,0,0|0,0,3]=4 5724 B11R0.154 CCC#CCC(=O)CC(O)CC 1458a_100011667805_100009813939 [0,1,0,0,0,0|0,0,3]=4 5725 B11R0.154 CCC(C)CC(=O)CCCCF 1458a_100000708755_100000729493 [0,1,0,0,0,0|2,0,1]=4 5726 B11R0.154 CCC(C)CC(=O)CCCCO 1458a_100000695505_100000748023 [0,1,0,0,0,0|2,0,1]=4 5727 B11R0.154 CCC(C)CC(=O)CCCCO 1458a_100000708755_100000210776 [0,1,0,0,0,0|2,0,1]=4 5728 B11R0.154 CCC(C)CC(=O)CCCOC 1458a_100000708755_100000740836 [0,1,0,0,0,0|2,0,1]=4 5729 B11R0.154 CCC(C)CC(=O)CCCOC 1458a_100000741012_100000748023 [0,1,0,0,0,0|2,0,1]=4 5730 B11R0.154 CCC(C)CC(=O)CCCSC 1458a_100000173376_100000748023 [0,1,0,0,0,0|2,0,1]=4 5731 B11R0.154 CCC(C)CC(C)NCCCF 2230a_100000763565_100011934791 [0,1,0,0,0,0|3,0,0]=4 5732 B11R0.154 CCC(C)CC(C)NCCCF 270004a_100015189416_100011710205 [0,1,0,0,0,0|3,0,0]=4 5733 B11R0.154 CCC(C)CC(C)NCCCO 2230a_100000763565_100000230001 [0,1,0,0,0,0|3,0,0]=4 5734 B11R0.154 CCC(C)CC(C)NCCCO 270004a_100000182051_100011710205 [0,1,0,0,0,0|3,0,0]=4 5735 B11R0.154 CCC(C)CC(C)NCCOC 2230a_100000763565_100011201679 [0,1,0,0,0,0|3,0,0]=4 5736 B11R0.154 CCC(C)CC(C)NCCOC 270004a_100000209980_100011710205 [0,1,0,0,0,0|3,0,0]=4 5737 B11R0.154 CCC(C)CC(C)NCCSC 2230a_100000763565_100000751147 [0,1,0,0,0,0|3,0,0]=4 5738 B11R0.154 CCC(C)CC(C)NCCSC 270004a_100020590264_100011710205 [0,1,0,0,0,0|3,0,0]=4 5739 B11R0.154 CCC(C)CN(C)CCCCF 2230a_100000753921_100000729493 [0,1,0,0,0,0|3,0,0]=4 5740 B11R0.154 CCC(C)CN(C)CCCCF 269982a_100000753921_100000729493 [0,1,0,0,0,0|3,0,0]=4 5741 B11R0.154 CCC(C)CN(C)CCCCO 2230a_100000717598_100000748023 [0,1,0,0,0,0|3,0,0]=4 5742 B11R0.154 CCC(C)CN(C)CCCCO 2230a_100000753921_100000210776 [0,1,0,0,0,0|3,0,0]=4 5743 B11R0.154 CCC(C)CN(C)CCCCO 269982a_100000717598_100000748023 [0,1,0,0,0,0|3,0,0]=4 5744 B11R0.154 CCC(C)CN(C)CCCCO 269982a_100000753921_100000210776 [0,1,0,0,0,0|3,0,0]=4 5745 B11R0.154 CCC(C)CN(C)CCCCO 270004a_100000717598_100000243153 [0,1,0,0,0,0|3,0,0]=4 5746 B11R0.154 CCC(C)CN(C)CCCOC 2230a_100000224831_100000748023 [0,1,0,0,0,0|3,0,0]=4 5747 B11R0.154 CCC(C)CN(C)CCCOC 2230a_100000753921_100000740836 [0,1,0,0,0,0|3,0,0]=4 5748 B11R0.154 CCC(C)CN(C)CCCOC 269982a_100000224831_100000748023 [0,1,0,0,0,0|3,0,0]=4 5749 B11R0.154 CCC(C)CN(C)CCCOC 269982a_100000753921_100000740836 [0,1,0,0,0,0|3,0,0]=4 5750 B11R0.154 CCC(C)CN(C)CCCOC 270004a_100000224831_100000243153 [0,1,0,0,0,0|3,0,0]=4 5751 B11R0.154 CCC(C)NC(C)CCCSC 270004a_100000209981_100011399439 [0,1,0,0,0,0|3,0,0]=4 5752 B11R0.154 CCC(C)OC(C)CCCOC 34a_200011539412_100011215416 [0,1,0,0,0,0|3,0,0]=4 5753 B11R0.154 CCC(C)OC(C)CCCOC 7a_200011539412_100000758301 [0,1,0,0,0,0|3,0,0]=4 5754 B11R0.154 CCC(O)CC(=O)CCCC#N 1458a_100000075515_100011218378 [0,1,0,0,0,0|1,0,2]=4 5755 B11R0.154 CCC(O)CC(=O)CCCC#N 1458a_100011667805_100000211468 [0,1,0,0,0,0|1,0,2]=4 5756 B11R0.154 CCC(O)CC(=O)CCCCF 1458a_100011667805_100000729493 [0,1,0,0,0,0|1,0,1]=3 5757 B11R0.154 CCC(O)CC(=O)CCCCO 1458a_100000695505_100011218378 [0,1,0,0,0,0|1,0,1]=3 5758 B11R0.154 CCC(O)CC(=O)CCCCO 1458a_100011667805_100000210776 [0,1,0,0,0,0|1,0,1]=3 5759 B11R0.154 CCC(O)CC(=O)CCCOC 1458a_100000741012_100011218378 [0,1,0,0,0,0|1,0,1]=3 5760 B11R0.154 CCC(O)CC(=O)CCCOC 1458a_100011667805_100000740836 [0,1,0,0,0,0|1,0,1]=3 5761 B11R0.154 CCC(O)CC(=O)CCCSC 1458a_100000173376_100011218378 [0,1,0,0,0,0|1,0,1]=3 5762 B11R0.154 CCC(O)CC(=O)COCCO 1458a_100000708028_100011218378 [0,1,0,0,0,0|2,0,1]=4 5763 B11R0.154 CCC(O)CC(=O)NCCCF 1626a_100015189416_100011667805 [0,1,0,0,0,0|2,0,1]=4 5764 B11R0.154 CCC(O)CC(=O)NCCCF 240690a_100015189416_100011667805 [0,1,0,0,0,0|2,0,1]=4 5765 B11R0.154 CCC(O)CC(=O)NCCCO 240690a_100000182051_100011667805 [0,1,0,0,0,0|2,0,1]=4 5766 B11R0.154 CCC(O)CC(=O)NCCOC 1626a_100000209980_100011667805 [0,1,0,0,0,0|2,0,1]=4 5767 B11R0.154 CCC(O)CC(=O)NCCOC 240690a_100000209980_100011667805 [0,1,0,0,0,0|2,0,1]=4 5768 B11R0.154 CCC(O)CC(=O)NCCSC 1626a_100020590264_100011667805 [0,1,0,0,0,0|2,0,1]=4 5769 B11R0.154 CCC(O)CC(=O)NCCSC 240690a_100020590264_100011667805 [0,1,0,0,0,0|2,0,1]=4 5770 B11R0.154 CCC(O)CN(C)CCCCO 2230a_100000717598_100011218378 [0,1,0,0,0,0|2,0,0]=3 5771 B11R0.154 CCC(O)CN(C)CCCCO 269982a_100000717598_100011218378 [0,1,0,0,0,0|2,0,0]=3 5772 B11R0.154 CCC(O)CN(C)CCCOC 2230a_100000224831_100011218378 [0,1,0,0,0,0|2,0,0]=3 5773 B11R0.154 CCC(O)CN(C)CCCOC 269982a_100000224831_100011218378 [0,1,0,0,0,0|2,0,0]=3 5774 B11R0.154 CCCC#CC(=O)CC(O)CC 1458a_200011218047_100011218378 [0,1,0,0,0,0|0,0,3]=4 5775 B11R0.154 CCCC=CC(=O)CC(O)CC 1458a_100000212230_100011218378 [0,1,0,0,0,0|0,0,3]=4 5776 B11R0.154 CCCCCC(=O)CC(=O)CC 1458a_100000210414_200012276598 [0,1,0,0,0,0|0,0,3]=4 5777 B11R0.154 CCCCCC(=O)CC(=O)CC 1458a_100000212188_100000747405 [0,1,0,0,0,0|0,0,3]=4 5778 B11R0.154 CCCCCC(=O)CC(C)CC 1458a_100000212188_100000748023 [0,1,0,0,0,0|1,0,1]=3 5779 B11R0.154 CCCCCC(=O)CC(C)CC 1458a_100000708755_100000210326 [0,1,0,0,0,0|1,0,1]=3 5780 B11R0.154 CCCCCC(=O)CC(O)CC 1458a_100000212188_100011218378 [0,1,0,0,0,0|0,0,1]=2 5781 B11R0.154 CCCCCC(=O)CC(O)CC 1458a_100011667805_100000210326 [0,1,0,0,0,0|0,0,1]=2 5782 B11R0.154 CCCCCC(=O)CN(C)CC 1458a_100116209913_100000210326 [0,1,0,0,0,0|2,0,1]=4 5783 B11R0.154 CCCCCC(=O)CN(C)CC 2230a_100000225621_200012276598 [0,1,0,0,0,0|2,0,1]=4 5784 B11R0.154 CCCCCC(=O)CN(C)CC 269982a_100000225621_200012276598 [0,1,0,0,0,0|2,0,1]=4 5785 B11R0.154 CCCCCC(=O)C[C@@H](C)CC 1458a_100000212188_100009816398 [0,1,0,0,0,0|1,0,1]=3 5786 B11R0.154 CCCCCC(=O)C[C@@H](C)CO 1458a_100000212188_100000059175 [0,1,0,0,0,0|2,0,1]=4 5787 B11R0.154 CCCCCC(=O)NC(C)CC 11a_100000209981_100000212188 [0,1,0,0,0,0|2,0,1]=4 5788 B11R0.154 CCCCCC(=O)NC(C)CC 1626a_100000209981_100000212188 [0,1,0,0,0,0|2,0,1]=4 5789 B11R0.154 CCCCCC(=O)NC(C)CC 240690a_100000209981_100000212188 [0,1,0,0,0,0|2,0,1]=4 5790 B11R0.154 CCCCCC(=O)NC(C)CC 527a_100000209981_100000212188 [0,1,0,0,0,0|2,0,1]=4 5791 B11R0.154 CCCCCC(C)NC(=O)CC 11a_100000211957_100000210414 [0,1,0,0,0,0|1,0,2]=4 5792 B11R0.154 CCCCCC(C)NC(=O)CC 1626a_100000211957_100000210414 [0,1,0,0,0,0|1,0,2]=4 5793 B11R0.154 CCCCCC(C)NC(=O)CC 240690a_100000211957_100000210414 [0,1,0,0,0,0|1,0,2]=4 5794 B11R0.154 CCCCCC(C)NC(=O)CC 527a_100000211957_100000210414 [0,1,0,0,0,0|1,0,2]=4 5795 B11R0.154 CCCCCC(C)NC(C)CC 2230a_100000209981_200011218191 [0,1,0,0,0,0|2,0,0]=3 5796 B11R0.154 CCCCCC(C)NC(C)CC 2230a_100000211957_100000758301 [0,1,0,0,0,0|2,0,0]=3 5797 B11R0.154 CCCCCC(C)NC(C)CC 270004a_100000209981_100000211708 [0,1,0,0,0,0|2,0,0]=3 5798 B11R0.154 CCCCCC(C)NC(C)CO 2230a_100000211957_100012180447 [0,1,0,0,0,0|3,0,0]=4 5799 B11R0.154 CCCCCC(C)N[C@H](C)CF 270004a_100102880703_100000211708 [0,1,0,0,0,0|3,0,0]=4 5800 B11R0.154 CCCCCC(C)N[C@H](C)CO 2230a_100000737577_200011218191 [0,1,0,0,0,0|3,0,0]=4 5801 B11R0.154 CCCCCC(C)N[C@H](C)CO 270004a_100000737577_100000211708 [0,1,0,0,0,0|3,0,0]=4 5802 B11R0.154 CCCCCC(C)OC(C)CC 34a_100011215632_100011215416 [0,1,0,0,0,0|2,0,0]=3 5803 B11R0.154 CCCCCC(C)OC(C)CC 7a_100000210228_200011218191 [0,1,0,0,0,0|2,0,0]=3 5804 B11R0.154 CCCCCC(C)OC(C)CC 7a_100011215632_100000758301 [0,1,0,0,0,0|2,0,0]=3 5805 B11R0.154 CCCCCC(C)OC(C)CF 34a_100016041109_200011218191 [0,1,0,0,0,0|3,0,0]=4 5806 B11R0.154 CCCCCC(C)OC(C)CF 7a_100016041109_200011218191 [0,1,0,0,0,0|3,0,0]=4 5807 B11R0.154 CCCCCC(C)OC(C)CN 34a_100000210904_200011218191 [0,1,0,0,0,0|3,0,0]=4 5808 B11R0.154 CCCCCC(C)OC(C)CO 34a_100011215632_100012180447 [0,1,0,0,0,0|3,0,0]=4 5809 B11R0.154 CCCCCC(C)OC(C)CO 7a_100011215632_100012180447 [0,1,0,0,0,0|3,0,0]=4 5810 B11R0.154 CCCCCC(C)SC(C)CC 62a_100000758301_200011218191 [0,1,0,0,0,0|2,0,0]=3 5811 B11R0.154 CCCCCC(C)SC(C)CC 62a_200011218191_100000758301 [0,1,0,0,0,0|2,0,0]=3 5812 B11R0.154 CCCCCC(C)SC(C)CO 62a_100012180447_200011218191 [0,1,0,0,0,0|3,0,0]=4 5813 B11R0.154 CCCCCC(C)SC(C)OC 62a_100009879195_200011218191 [0,1,0,0,0,0|3,0,0]=4 5814 B11R0.154 CCCCCC(C)SC(C)OC 62a_200011218191_100009879195 [0,1,0,0,0,0|3,0,0]=4 5815 B11R0.154 CCCCCC(C)S[C@H](C)CO 62a_100016084084_200011218191 [0,1,0,0,0,0|3,0,0]=4 5816 B11R0.154 CCCCCC(C)S[C@H](C)CO 62a_200011218191_100016084084 [0,1,0,0,0,0|3,0,0]=4 5817 B11R0.154 CCCCCN(C)CC(=O)CC 269982a_100000223495_100000747405 [0,1,0,0,0,0|1,0,2]=4 5818 B11R0.154 CCCCCN(C)CC(C)CC 2230a_100000223495_100000748023 [0,1,0,0,0,0|2,0,0]=3 5819 B11R0.154 CCCCCN(C)CC(C)CC 2230a_100000753921_100000210326 [0,1,0,0,0,0|2,0,0]=3 5820 B11R0.154 CCCCCN(C)CC(C)CC 269982a_100000223495_100000748023 [0,1,0,0,0,0|2,0,0]=3 5821 B11R0.154 CCCCCN(C)CC(C)CC 269982a_100000753921_100000210215 [0,1,0,0,0,0|2,0,0]=3 5822 B11R0.154 CCCCCN(C)CC(C)CC 270004a_100000223495_100000243153 [0,1,0,0,0,0|2,0,0]=3 5823 B11R0.154 CCCCCN(C)CC(O)CC 2230a_100000223495_100011218378 [0,1,0,0,0,0|1,0,0]=2 5824 B11R0.154 CCCCCN(C)CC(O)CC 269982a_100000223495_100011218378 [0,1,0,0,0,0|1,0,0]=2 5825 B11R0.154 CCCCCN(C)CC(O)CO 2230a_100000223495_100011219619 [0,1,0,0,0,0|2,0,0]=3 5826 B11R0.154 CCCCCN(C)CC(O)CO 2230a_100011216503_100000210326 [0,1,0,0,0,0|2,0,0]=3 5827 B11R0.154 CCCCCN(C)CC(O)CO 269982a_100011216503_100000210215 [0,1,0,0,0,0|2,0,0]=3 5828 B11R0.154 CCCCCN(C)C[C@@H](C)CC 2230a_100000223495_100009816398 [0,1,0,0,0,0|2,0,0]=3 5829 B11R0.154 CCCCCN(C)C[C@@H](C)CC 269982a_100000223495_100009816398 [0,1,0,0,0,0|2,0,0]=3 5830 B11R0.154 CCCCCN(C)C[C@@H](C)CO 2230a_100000223495_100000059175 [0,1,0,0,0,0|3,0,0]=4 5831 B11R0.154 CCCCCN(C)C[C@@H](C)CO 269982a_100000223495_100000059175 [0,1,0,0,0,0|3,0,0]=4 5832 B11R0.154 CCCCCN(C)C[C@@H](O)CF 2230a_100000223495_100015614560 [0,1,0,0,0,0|2,0,0]=3 5833 B11R0.154 CCCCCN(C)C[C@@H](O)CO 2230a_100000223495_100009815848 [0,1,0,0,0,0|2,0,0]=3 5834 B11R0.154 CCCCNC(=O)CC(C)CC 11a_100000102301_100000708755 [0,1,0,0,0,0|2,0,1]=4 5835 B11R0.154 CCCCNC(=O)CC(C)CC 1626a_100000102301_100000708755 [0,1,0,0,0,0|2,0,1]=4 5836 B11R0.154 CCCCNC(=O)CC(C)CC 240690a_100000102301_100000708755 [0,1,0,0,0,0|2,0,1]=4 5837 B11R0.154 CCCCNC(=O)CC(C)CC 527a_100000102301_100000708755 [0,1,0,0,0,0|2,0,1]=4 5838 B11R0.154 CCCCNC(=O)CC(O)CC 1626a_100000102301_100011667805 [0,1,0,0,0,0|1,0,1]=3 5839 B11R0.154 CCCCNC(=O)CC(O)CC 240690a_100000102301_100011667805 [0,1,0,0,0,0|1,0,1]=3 5840 B11R0.154 CCCCNC(C)CC(C)CC 2230a_100000763565_100000210211 [0,1,0,0,0,0|2,0,0]=3 5841 B11R0.154 CCCCNC(C)CC(C)CC 270004a_100000102301_100011710205 [0,1,0,0,0,0|2,0,0]=3 5842 B11R0.154 CCCNNC(=O)CC(O)CC 22a_100000740057_100011667805 [0,1,0,0,0,0|2,0,1]=4 5843 B11R0.154 CCCOCC(=O)CC(C)CC 1458a_100000745993_100000748023 [0,1,0,0,0,0|2,0,1]=4 5844 B11R0.154 CCCOCC(=O)CC(O)CC 1458a_100000745993_100011218378 [0,1,0,0,0,0|1,0,1]=3 5845 B11R0.154 CCCOCC(=O)C[C@@H](C)CC 1458a_100000745993_100009816398 [0,1,0,0,0,0|2,0,1]=4 5846 B11R0.154 CCCSCC(=O)CC(C)CC 1458a_100000217233_100000748023 [0,1,0,0,0,0|2,0,1]=4 5847 B11R0.154 CCCSCC(=O)CC(O)CC 1458a_100000217233_100011218378 [0,1,0,0,0,0|1,0,1]=3 5848 B11R0.154 CCCSCC(=O)C[C@@H](C)CC 1458a_100000217233_100009816398 [0,1,0,0,0,0|2,0,1]=4 5849 B11R0.154 CCCSCC(C)NC(C)CC 270004a_100000209981_100011343953 [0,1,0,0,0,0|3,0,0]=4 5850 B11R0.154 CCOCCC(=O)CC(C)CC 1458a_100000708755_100011215890 [0,1,0,0,0,0|2,0,1]=4 5851 B11R0.154 CCOCCC(=O)CC(C)CC 1458a_100000749530_100000748023 [0,1,0,0,0,0|2,0,1]=4 5852 B11R0.154 CCOCCC(=O)CC(O)CC 1458a_100000749530_100011218378 [0,1,0,0,0,0|1,0,1]=3 5853 B11R0.154 CCOCCC(=O)CC(O)CC 1458a_100011667805_100011215890 [0,1,0,0,0,0|1,0,1]=3 5854 B11R0.154 CCOCCC(=O)C[C@@H](C)CC 1458a_100000749530_100009816398 [0,1,0,0,0,0|2,0,1]=4 5855 B11R0.154 CCOCCC(C)NC(C)CC 270004a_100000209981_200011216536 [0,1,0,0,0,0|3,0,0]=4 5856 B11R0.154 CCOCCN(C)CC(C)CC 2230a_100000753921_100011215890 [0,1,0,0,0,0|3,0,0]=4 5857 B11R0.154 CCOCCN(C)CC(C)CC 269982a_100000753921_100011215890 [0,1,0,0,0,0|3,0,0]=4 5858 B11R0.154 CCOCCN(C)CC(O)CO 2230a_100011216503_100011215890 [0,1,0,0,0,0|3,0,0]=4 5859 B11R0.154 CCOCCN(C)CC(O)CO 269982a_100011216503_100011215890 [0,1,0,0,0,0|3,0,0]=4 5860 B11R0.154 CCSCCC(=O)CC(C)CC 1458a_100000230768_100000748023 [0,1,0,0,0,0|2,0,1]=4 5861 B11R0.154 CCSCCC(=O)CC(C)CC 1458a_100000708755_100000757381 [0,1,0,0,0,0|2,0,1]=4 5862 B11R0.154 CCSCCC(=O)CC(O)CC 1458a_100000230768_100011218378 [0,1,0,0,0,0|1,0,1]=3 5863 B11R0.154 CCSCCC(=O)CC(O)CC 1458a_100011667805_100000757381 [0,1,0,0,0,0|1,0,1]=3 5864 B11R0.154 CCSCCC(=O)C[C@@H](C)CC 1458a_100000230768_100009816398 [0,1,0,0,0,0|2,0,1]=4 5865 B11R0.154 CCSCCN(C)CC(C)CC 2230a_100000753921_100000757381 [0,1,0,0,0,0|3,0,0]=4 5866 B11R0.154 CCSCCN(C)CC(C)CC 269982a_100000753921_100000757381 [0,1,0,0,0,0|3,0,0]=4 5867 B11R0.154 CCSCCN(C)CC(O)CO 2230a_100011216503_100000757381 [0,1,0,0,0,0|3,0,0]=4 5868 B11R0.154 CCSCCN(C)CC(O)CO 269982a_100011216503_100000757381 [0,1,0,0,0,0|3,0,0]=4 5869 B11R0.154 CC[C@H](C)CC(=O)CCCCO 1458a_100000695505_100009816398 [0,1,0,0,0,0|2,0,1]=4 5870 B11R0.154 CC[C@H](C)CC(=O)CCCOC 1458a_100000741012_100009816398 [0,1,0,0,0,0|2,0,1]=4 5871 B11R0.154 CC[C@H](C)CC(=O)CCCSC 1458a_100000173376_100009816398 [0,1,0,0,0,0|2,0,1]=4 5872 B11R0.154 CC[C@H](C)CN(C)CCCCO 2230a_100000717598_100009816398 [0,1,0,0,0,0|3,0,0]=4 5873 B11R0.154 CC[C@H](C)CN(C)CCCCO 269982a_100000717598_100009816398 [0,1,0,0,0,0|3,0,0]=4 5874 B11R0.154 CC[C@H](C)CN(C)CCCOC 2230a_100000224831_100009816398 [0,1,0,0,0,0|3,0,0]=4 5875 B11R0.154 CC[C@H](C)CN(C)CCCOC 269982a_100000224831_100009816398 [0,1,0,0,0,0|3,0,0]=4 5876 B11R0.154 CN(CCCCF)CC(O)CO 2230a_100011216503_100000729493 [0,1,0,0,0,0|3,0,0]=4 5877 B11R0.154 CN(CCCCF)CC(O)CO 269982a_100011216503_100000729493 [0,1,0,0,0,0|3,0,0]=4 5878 B11R0.154 CN(CCCCO)CC(O)CO 2230a_100000717598_100011219619 [0,1,0,0,0,0|3,0,0]=4 5879 B11R0.154 CN(CCCCO)CC(O)CO 2230a_100011216503_100000210776 [0,1,0,0,0,0|3,0,0]=4 5880 B11R0.154 CN(CCCCO)CC(O)CO 269982a_100011216503_100000210776 [0,1,0,0,0,0|3,0,0]=4 5881 B11R0.154 CN(CCCCO)C[C@@H](O)CF 2230a_100000717598_100015614560 [0,1,0,0,0,0|3,0,0]=4 5882 B11R0.154 CN(CCCCO)C[C@@H](O)CO 2230a_100000717598_100009815848 [0,1,0,0,0,0|3,0,0]=4 5883 B11R0.154 COCCCN(C)CC(O)CO 2230a_100000224831_100011219619 [0,1,0,0,0,0|3,0,0]=4 5884 B11R0.154 COCCCN(C)CC(O)CO 2230a_100011216503_100000740836 [0,1,0,0,0,0|3,0,0]=4 5885 B11R0.154 COCCCN(C)CC(O)CO 269982a_100011216503_100000740836 [0,1,0,0,0,0|3,0,0]=4 5886 B11R0.154 COCCCN(C)C[C@@H](O)CF 2230a_100000224831_100015614560 [0,1,0,0,0,0|3,0,0]=4 5887 B11R0.154 COCCCN(C)C[C@@H](O)CO 2230a_100000224831_100009815848 [0,1,0,0,0,0|3,0,0]=4 5888 B11R0.174 C=CC(O)COCC(C)CCC 34a_100000688023_100000730141 [0,1,0,0,0,0|1,0,2]=4 5889 B11R0.174 C=CC(O)COCC(C)CCC 7a_100000688023_100000730141 [0,1,0,0,0,0|1,0,2]=4 5890 B11R0.174 C=CC(O)COC[C@@H](N)CCC 34a_100000732646_100000730141 [0,1,0,0,0,0|1,0,2]=4 5891 B11R0.174 C=CC(O)CSCC(C)CCC 62a_100000730141_100011216630 [0,1,0,0,0,0|1,0,2]=4 5892 B11R0.174 C=CC(O)CSCC(C)CCC 62a_100011216630_100000730141 [0,1,0,0,0,0|1,0,2]=4 5893 B11R0.174 C=CCC(C)COCC(O)CC 34a_100009832082_100011218378 [0,1,0,0,0,0|1,0,2]=4 5894 B11R0.174 C=CCC(C)COCC(O)CC 7a_100009832082_100011218378 [0,1,0,0,0,0|1,0,2]=4 5895 B11R0.174 C=CC[C@@H](N)COCC(O)CC 34a_100020615467_100011218378 [0,1,0,0,0,0|1,0,2]=4 5896 B11R0.174 CC(CCN)COCC(O)CO 34a_106354213184_100011219619 [0,1,0,0,0,0|3,0,0]=4 5897 B11R0.174 CC(CCN)COC[C@@H](O)CF 34a_106354213184_100015614560 [0,1,0,0,0,0|3,0,0]=4 5898 B11R0.174 CC(CCN)COC[C@@H](O)CO 34a_106354213184_100009815848 [0,1,0,0,0,0|3,0,0]=4 5899 B11R0.174 CCC(C)CCNC(C)CCO 2230a_100020591266_100009893172 [0,1,0,0,0,0|3,0,0]=4 5900 B11R0.174 CCC(C)CCNC(C)COC 2230a_100020591266_100000765312 [0,1,0,0,0,0|3,0,0]=4 5901 B11R0.174 CCC(C)CCNC(C)COC 270004a_100020591266_100000749346 [0,1,0,0,0,0|3,0,0]=4 5902 B11R0.174 CCC(C)CCNC(C)CSC 270004a_100020591266_100011216314 [0,1,0,0,0,0|3,0,0]=4 5903 B11R0.174 CCC(C)CCOC(C)CCO 7a_100011215188_100009893172 [0,1,0,0,0,0|3,0,0]=4 5904 B11R0.174 CCC(C)CCOC(C)COC 7a_100011215188_100000765312 [0,1,0,0,0,0|3,0,0]=4 5905 B11R0.174 CCC(C)CNCC(O)COC 2230a_100000756049_100000748023 [0,1,0,0,0,0|3,0,0]=4 5906 B11R0.174 CCC(C)CNCC(O)COC 270004a_100000756049_100000243153 [0,1,0,0,0,0|3,0,0]=4 5907 B11R0.174 CCC(C)CNCC(O)COC 34a_100000756049_100000748023 [0,1,0,0,0,0|3,0,0]=4 5908 B11R0.174 CCC(C)COCC(C)CCN 34a_106354213184_100000748023 [0,1,0,0,0,0|3,0,0]=4 5909 B11R0.174 CCC(C)COCC(N)COC 34a_100000724102_100000748023 [0,1,0,0,0,0|3,0,0]=4 5910 B11R0.174 CCC(C)CSCC(O)COC 62a_100000748023_100011215053 [0,1,0,0,0,0|3,0,0]=4 5911 B11R0.174 CCC(C)CSCC(O)COC 62a_100011215053_100000748023 [0,1,0,0,0,0|3,0,0]=4 5912 B11R0.174 CCC(O)CNCC(O)COC 2230a_100000756049_100011218378 [0,1,0,0,0,0|2,0,0]=3 5913 B11R0.174 CCC(O)CNCC(O)COC 34a_100000756049_100011218378 [0,1,0,0,0,0|2,0,0]=3 5914 B11R0.174 CCC(O)CNC[C@@H](O)CC#N 2230a_100011218483_100000001066 [0,1,0,0,0,0|2,0,1]=4 5915 B11R0.174 CCC(O)COCC(C)CCN 34a_106354213184_100011218378 [0,1,0,0,0,0|2,0,0]=3 5916 B11R0.174 CCC(O)COCC(N)COC 34a_100000724102_100011218378 [0,1,0,0,0,0|2,0,0]=3 5917 B11R0.174 CCC(O)CSCC(O)COC 62a_100011215053_100011218378 [0,1,0,0,0,0|2,0,0]=3 5918 B11R0.174 CCC(O)CSCC(O)COC 62a_100011218378_100011215053 [0,1,0,0,0,0|2,0,0]=3 5919 B11R0.174 CCC(O)CSC[C@@H](O)CC#N 62a_100000001066_100011218378 [0,1,0,0,0,0|2,0,1]=4 5920 B11R0.174 CCC(O)CSC[C@@H](O)CC#N 62a_100011218378_100000001066 [0,1,0,0,0,0|2,0,1]=4 5921 B11R0.174 CCCC(=NNCC(O)CC)C 4a_100015206393_100000211909 [0,1,0,0,0,0|2,0,1]=4 5922 B11R0.174 CCCC(=O)CCCN(C)CC 1458a_100000211992_100015186262 [0,1,0,0,0,0|2,0,1]=4 5923 B11R0.174 CCCC(=O)CNCC(C)CC 2230a_100020588543_100000747444 [0,1,0,0,0,0|2,0,1]=4 5924 B11R0.174 CCCC(=O)CNCC(O)CC 2230a_100011218483_100000747444 [0,1,0,0,0,0|1,0,1]=3 5925 B11R0.174 CCCC(=O)CNC[C@H](O)CO 2230a_100020644852_100000747444 [0,1,0,0,0,0|2,0,1]=4 5926 B11R0.174 CCCC(=O)COC[C@@H](C)CC 7a_100009816381_100000747444 [0,1,0,0,0,0|2,0,1]=4 5927 B11R0.174 CCCC(=O)CSCC(C)CC 62a_100000747444_100000748023 [0,1,0,0,0,0|2,0,1]=4 5928 B11R0.174 CCCC(=O)CSCC(C)CC 62a_100000748023_100000747444 [0,1,0,0,0,0|2,0,1]=4 5929 B11R0.174 CCCC(=O)CSCC(O)CC 62a_100000747444_100011218378 [0,1,0,0,0,0|1,0,1]=3 5930 B11R0.174 CCCC(=O)CSCC(O)CC 62a_100011218378_100000747444 [0,1,0,0,0,0|1,0,1]=3 5931 B11R0.174 CCCC(=O)CSCC(O)CO 62a_100000747444_100011219619 [0,1,0,0,0,0|2,0,1]=4 5932 B11R0.174 CCCC(=O)CSCC(O)CO 62a_100011219619_100000747444 [0,1,0,0,0,0|2,0,1]=4 5933 B11R0.174 CCCC(=O)CSC[C@@H](C)CC 62a_100000747444_100009816398 [0,1,0,0,0,0|2,0,1]=4 5934 B11R0.174 CCCC(=O)CSC[C@@H](C)CC 62a_100009816398_100000747444 [0,1,0,0,0,0|2,0,1]=4 5935 B11R0.174 CCCC(=O)CSC[C@@H](O)CF 62a_100000747444_100015614560 [0,1,0,0,0,0|2,0,1]=4 5936 B11R0.174 CCCC(=O)CSC[C@@H](O)CF 62a_100015614560_100000747444 [0,1,0,0,0,0|2,0,1]=4 5937 B11R0.174 CCCC(=O)CSC[C@@H](O)CO 62a_100000747444_100009815848 [0,1,0,0,0,0|2,0,1]=4 5938 B11R0.174 CCCC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747444 [0,1,0,0,0,0|2,0,1]=4 5939 B11R0.174 CCCC(=O)NCCC(C)CC 11a_100020591266_100000211992 [0,1,0,0,0,0|2,0,1]=4 5940 B11R0.174 CCCC(=O)NCCC(C)CC 1626a_100020591266_100000211992 [0,1,0,0,0,0|2,0,1]=4 5941 B11R0.174 CCCC(=O)NCCC(C)CC 240690a_100020591266_100000211992 [0,1,0,0,0,0|2,0,1]=4 5942 B11R0.174 CCCC(=O)NCCC(C)CC 527a_100020591266_100000211992 [0,1,0,0,0,0|2,0,1]=4 5943 B11R0.174 CCCC(=O)NNCC(O)CC 22a_100015206393_100000211992 [0,1,0,0,0,0|2,0,1]=4 5944 B11R0.174 CCCC(C)CCOC(C)CC 34a_100011217855_100011215416 [0,1,0,0,0,0|2,0,0]=3 5945 B11R0.174 CCCC(C)CCOC(C)CC 7a_100011217855_100000758301 [0,1,0,0,0,0|2,0,0]=3 5946 B11R0.174 CCCC(C)CCOC(C)CO 34a_100011217855_100012180447 [0,1,0,0,0,0|3,0,0]=4 5947 B11R0.174 CCCC(C)CCOC(C)CO 7a_100011217855_100012180447 [0,1,0,0,0,0|3,0,0]=4 5948 B11R0.174 CCCC(C)CNCC(C)CC 2230a_100020588543_100011216630 [0,1,0,0,0,0|2,0,0]=3 5949 B11R0.174 CCCC(C)CNCC(C)CC 270004a_100020588543_100000243154 [0,1,0,0,0,0|2,0,0]=3 5950 B11R0.174 CCCC(C)CNCC(C)CO 34a_100000744482_100011216630 [0,1,0,0,0,0|3,0,0]=4 5951 B11R0.174 CCCC(C)CNCC(O)CC 2230a_100011218483_100011216630 [0,1,0,0,0,0|1,0,0]=2 5952 B11R0.174 CCCC(C)CNCC(O)CC 270004a_100011218483_100000243154 [0,1,0,0,0,0|1,0,0]=2 5953 B11R0.174 CCCC(C)CNC[C@@H](C)OC 2230a_100020591295_100011216630 [0,1,0,0,0,0|3,0,0]=4 5954 B11R0.174 CCCC(C)CNC[C@@H](C)OC 270004a_100020591295_100000243154 [0,1,0,0,0,0|3,0,0]=4 5955 B11R0.174 CCCC(C)CNC[C@@H](F)CO 270004a_100015665980_100000243154 [0,1,0,0,0,0|3,0,0]=4 5956 B11R0.174 CCCC(C)CNC[C@@H](F)CO 34a_100015665980_100011216630 [0,1,0,0,0,0|3,0,0]=4 5957 B11R0.174 CCCC(C)CNC[C@H](O)CO 2230a_100020644852_100011216630 [0,1,0,0,0,0|2,0,0]=3 5958 B11R0.174 CCCC(C)COCC(=O)CC 34a_100000725409_100011216630 [0,1,0,0,0,0|1,0,2]=4 5959 B11R0.174 CCCC(C)COCC(=O)CC 7a_100000688023_100000747405 [0,1,0,0,0,0|1,0,2]=4 5960 B11R0.174 CCCC(C)COCC(C)CC 34a_100000688023_100000748023 [0,1,0,0,0,0|2,0,0]=3 5961 B11R0.174 CCCC(C)COCC(C)CC 7a_100000688023_100000748023 [0,1,0,0,0,0|2,0,0]=3 5962 B11R0.174 CCCC(C)COCC(C)CN 34a_100000744482_100011216630 [0,1,0,0,0,0|3,0,0]=4 5963 B11R0.174 CCCC(C)COCC(C)OC 34a_100000690652_100011216630 [0,1,0,0,0,0|3,0,0]=4 5964 B11R0.174 CCCC(C)COCC(Cl)CCl 34a_100000033668_100011216630 [0,1,0,0,0,0|3,0,0]=4 5965 B11R0.174 CCCC(C)COCC(O)CC 34a_100000688023_100011218378 [0,1,0,0,0,0|1,0,0]=2 5966 B11R0.174 CCCC(C)COCC(O)CC 7a_100000688023_100011218378 [0,1,0,0,0,0|1,0,0]=2 5967 B11R0.174 CCCC(C)COCC(O)CO 34a_100000688023_100011219619 [0,1,0,0,0,0|2,0,0]=3 5968 B11R0.174 CCCC(C)COCC(O)CO 7a_100000688023_100011219619 [0,1,0,0,0,0|2,0,0]=3 5969 B11R0.174 CCCC(C)COC[C@@H](C)CC 34a_100000688023_100009816398 [0,1,0,0,0,0|2,0,0]=3 5970 B11R0.174 CCCC(C)COC[C@@H](C)CC 7a_100000688023_100009816398 [0,1,0,0,0,0|2,0,0]=3 5971 B11R0.174 CCCC(C)COC[C@@H](C)CC 7a_100009816381_100011216630 [0,1,0,0,0,0|2,0,0]=3 5972 B11R0.174 CCCC(C)COC[C@@H](C)CO 34a_100000688023_100000059175 [0,1,0,0,0,0|3,0,0]=4 5973 B11R0.174 CCCC(C)COC[C@@H](C)CO 7a_100000688023_100000059175 [0,1,0,0,0,0|3,0,0]=4 5974 B11R0.174 CCCC(C)COC[C@@H](O)CF 34a_100000688023_100015614560 [0,1,0,0,0,0|2,0,0]=3 5975 B11R0.174 CCCC(C)COC[C@@H](O)CF 7a_100000688023_100015614560 [0,1,0,0,0,0|2,0,0]=3 5976 B11R0.174 CCCC(C)COC[C@@H](O)CO 34a_100000688023_100009815848 [0,1,0,0,0,0|2,0,0]=3 5977 B11R0.174 CCCC(C)COC[C@@H](O)CO 7a_100000688023_100009815848 [0,1,0,0,0,0|2,0,0]=3 5978 B11R0.174 CCCC(C)COC[C@H](F)CN 34a_100015665980_100011216630 [0,1,0,0,0,0|3,0,0]=4 5979 B11R0.174 CCCC(C)CSCC(=O)CC 62a_100000747405_100011216630 [0,1,0,0,0,0|1,0,2]=4 5980 B11R0.174 CCCC(C)CSCC(=O)CC 62a_100011216630_100000747405 [0,1,0,0,0,0|1,0,2]=4 5981 B11R0.174 CCCC(C)CSCC(C)CC 62a_100000748023_100011216630 [0,1,0,0,0,0|2,0,0]=3 5982 B11R0.174 CCCC(C)CSCC(C)CC 62a_100011216630_100000748023 [0,1,0,0,0,0|2,0,0]=3 5983 B11R0.174 CCCC(C)CSCC(O)CC 62a_100011216630_100011218378 [0,1,0,0,0,0|1,0,0]=2 5984 B11R0.174 CCCC(C)CSCC(O)CC 62a_100011218378_100011216630 [0,1,0,0,0,0|1,0,0]=2 5985 B11R0.174 CCCC(C)CSCC(O)CO 62a_100011216630_100011219619 [0,1,0,0,0,0|2,0,0]=3 5986 B11R0.174 CCCC(C)CSCC(O)CO 62a_100011219619_100011216630 [0,1,0,0,0,0|2,0,0]=3 5987 B11R0.174 CCCC(C)CSC[C@@H](C)CC 62a_100009816398_100011216630 [0,1,0,0,0,0|2,0,0]=3 5988 B11R0.174 CCCC(C)CSC[C@@H](C)CC 62a_100011216630_100009816398 [0,1,0,0,0,0|2,0,0]=3 5989 B11R0.174 CCCC(C)CSC[C@@H](C)CO 62a_100000059175_100011216630 [0,1,0,0,0,0|3,0,0]=4 5990 B11R0.174 CCCC(C)CSC[C@@H](C)CO 62a_100011216630_100000059175 [0,1,0,0,0,0|3,0,0]=4 5991 B11R0.174 CCCC(C)CSC[C@@H](O)CF 62a_100011216630_100015614560 [0,1,0,0,0,0|2,0,0]=3 5992 B11R0.174 CCCC(C)CSC[C@@H](O)CF 62a_100015614560_100011216630 [0,1,0,0,0,0|2,0,0]=3 5993 B11R0.174 CCCC(C)CSC[C@@H](O)CO 62a_100009815848_100011216630 [0,1,0,0,0,0|2,0,0]=3 5994 B11R0.174 CCCC(C)CSC[C@@H](O)CO 62a_100011216630_100009815848 [0,1,0,0,0,0|2,0,0]=3 5995 B11R0.174 CCCC(C)NCCC(C)CC 2230a_100020591266_100000766640 [0,1,0,0,0,0|2,0,0]=3 5996 B11R0.174 CCCC(C)NCCC(C)CC 270004a_100020591266_100000211909 [0,1,0,0,0,0|2,0,0]=3 5997 B11R0.174 CCCC(C)NCCC(C)CO 2230a_106354213184_100000766640 [0,1,0,0,0,0|3,0,0]=4 5998 B11R0.174 CCCC(C)NCCC(C)CO 270004a_106354213184_100000211909 [0,1,0,0,0,0|3,0,0]=4 5999 B11R0.174 CCCC(C)NCCC(C)CO 34a_106354213184_100000766640 [0,1,0,0,0,0|3,0,0]=4 6000 B11R0.174 CCCC(C)OCCC(C)CC 7a_100011215188_100000766640 [0,1,0,0,0,0|2,0,0]=3 6001 B11R0.174 CCCC(C)OCCC(C)OC 7a_100000764861_100000766640 [0,1,0,0,0,0|3,0,0]=4 6002 B11R0.174 CCCN(C)CCCN(C)CC 2230a_100000747261_100015186262 [0,1,0,0,0,0|3,0,0]=4 6003 B11R0.174 CCCN(C)CCCN(C)CC 269982a_100000747261_100015186262 [0,1,0,0,0,0|3,0,0]=4 6004 B11R0.174 CCC[C@H](N)CCOC(C)CC 34a_100015193777_100011215416 [0,1,0,0,0,0|2,0,0]=3 6005 B11R0.174 CCC[C@H](N)CCOC(C)CO 34a_100015193777_100012180447 [0,1,0,0,0,0|3,0,0]=4 6006 B11R0.174 CCC[C@H](N)COCC(C)CC 34a_100000732646_100000748023 [0,1,0,0,0,0|2,0,0]=3 6007 B11R0.174 CCC[C@H](N)COCC(O)CC 34a_100000732646_100011218378 [0,1,0,0,0,0|1,0,0]=2 6008 B11R0.174 CCC[C@H](N)COCC(O)CO 34a_100000732646_100011219619 [0,1,0,0,0,0|2,0,0]=3 6009 B11R0.174 CCC[C@H](N)COC[C@@H](C)CC 34a_100000732646_100009816398 [0,1,0,0,0,0|2,0,0]=3 6010 B11R0.174 CCC[C@H](N)COC[C@@H](C)CO 34a_100000732646_100000059175 [0,1,0,0,0,0|3,0,0]=4 6011 B11R0.174 CCC[C@H](N)COC[C@@H](O)CF 34a_100000732646_100015614560 [0,1,0,0,0,0|2,0,0]=3 6012 B11R0.174 CCC[C@H](N)COC[C@@H](O)CO 34a_100000732646_100009815848 [0,1,0,0,0,0|2,0,0]=3 6013 B11R0.174 CCNC(=O)CNCC(O)CC 2230a_100011218483_100000183381 [0,1,0,0,0,0|2,0,1]=4 6014 B11R0.174 CCNC(=O)CNCC(O)CC 2230a_100016988866_100011218378 [0,1,0,0,0,0|2,0,1]=4 6015 B11R0.174 CCNC(=O)CSCC(O)CC 62a_100000183381_100011218378 [0,1,0,0,0,0|2,0,1]=4 6016 B11R0.174 CCNC(=O)CSCC(O)CC 62a_100011218378_100000183381 [0,1,0,0,0,0|2,0,1]=4 6017 B11R0.174 CCOC(=O)CNCC(O)CC 2230a_100011218483_100000188475 [0,1,0,0,0,0|2,0,1]=4 6018 B11R0.174 CCOC(=O)CSCC(O)CC 62a_100000188475_100011218378 [0,1,0,0,0,0|2,0,1]=4 6019 B11R0.174 CCOC(=O)CSCC(O)CC 62a_100011218378_100000188475 [0,1,0,0,0,0|2,0,1]=4 6020 B11R0.174 CC[C@H](C)CNCC(O)COC 2230a_100000756049_100009816398 [0,1,0,0,0,0|3,0,0]=4 6021 B11R0.174 CC[C@H](C)CNCC(O)COC 34a_100000756049_100009816398 [0,1,0,0,0,0|3,0,0]=4 6022 B11R0.174 CC[C@H](C)COCC(C)CCN 34a_106354213184_100009816398 [0,1,0,0,0,0|3,0,0]=4 6023 B11R0.174 CC[C@H](C)COCC(N)COC 34a_100000724102_100009816398 [0,1,0,0,0,0|3,0,0]=4 6024 B11R0.174 CC[C@H](C)COCC(O)COC 7a_100009816381_100011215053 [0,1,0,0,0,0|3,0,0]=4 6025 B11R0.174 CC[C@H](C)CSCC(O)COC 62a_100009816398_100011215053 [0,1,0,0,0,0|3,0,0]=4 6026 B11R0.174 CC[C@H](C)CSCC(O)COC 62a_100011215053_100009816398 [0,1,0,0,0,0|3,0,0]=4 6027 B11R0.174 COCC(N)COCC(O)CO 34a_100000724102_100011219619 [0,1,0,0,0,0|3,0,0]=4 6028 B11R0.174 COCC(N)COC[C@@H](O)CF 34a_100000724102_100015614560 [0,1,0,0,0,0|3,0,0]=4 6029 B11R0.174 COCC(N)COC[C@@H](O)CO 34a_100000724102_100009815848 [0,1,0,0,0,0|3,0,0]=4 6030 B11R0.174 COCC(O)CNCC(O)CO 2230a_100000756049_100011219619 [0,1,0,0,0,0|3,0,0]=4 6031 B11R0.174 COCC(O)CNCC(O)CO 34a_100000756049_100011219619 [0,1,0,0,0,0|3,0,0]=4 6032 B11R0.174 COCC(O)CNC[C@@H](O)CF 2230a_100000756049_100015614560 [0,1,0,0,0,0|3,0,0]=4 6033 B11R0.174 COCC(O)CNC[C@@H](O)CF 34a_100000756049_100015614560 [0,1,0,0,0,0|3,0,0]=4 6034 B11R0.174 COCC(O)CNC[C@@H](O)CO 2230a_100000756049_100009815848 [0,1,0,0,0,0|3,0,0]=4 6035 B11R0.174 COCC(O)CNC[C@@H](O)CO 34a_100000756049_100009815848 [0,1,0,0,0,0|3,0,0]=4 6036 B11R0.174 COCC(O)CSCC(O)CO 62a_100011215053_100011219619 [0,1,0,0,0,0|3,0,0]=4 6037 B11R0.174 COCC(O)CSCC(O)CO 62a_100011219619_100011215053 [0,1,0,0,0,0|3,0,0]=4 6038 B11R0.174 COCC(O)CSC[C@@H](O)CF 62a_100011215053_100015614560 [0,1,0,0,0,0|3,0,0]=4 6039 B11R0.174 COCC(O)CSC[C@@H](O)CF 62a_100015614560_100011215053 [0,1,0,0,0,0|3,0,0]=4 6040 B11R0.174 COCC(O)CSC[C@@H](O)CO 62a_100009815848_100011215053 [0,1,0,0,0,0|3,0,0]=4 6041 B11R0.174 COCC(O)CSC[C@@H](O)CO 62a_100011215053_100009815848 [0,1,0,0,0,0|3,0,0]=4 6042 B11R1.1 C#CCCN1CCC(CC1)O 2230a_100025773856_100000688953 [0,0,0,1,0,0|1,0,2]=4 6043 B11R1.1 C#CCCN1CCC(CC1)O 269982a_100025773856_100000730999 [0,0,0,1,0,0|1,0,2]=4 6044 B11R1.1 C/C=C/CN1CCC(CC1)O 269982a_100025773856_100102629194 [0,0,0,1,0,0|1,0,2]=4 6045 B11R1.1 C=C1CCC(CC1)COCC 34a_100000074039_100000210202 [0,0,0,1,0,0|2,0,1]=4 6046 B11R1.1 C=C1CCC(CC1)NCCC 270004a_100020643023_100010272673 [0,0,0,1,0,0|2,0,1]=4 6047 B11R1.1 C=C1CCN(CC1)CCCC 2230a_100000752442_100000210211 [0,0,0,1,0,0|2,0,1]=4 6048 B11R1.1 C=C1CCN(CC1)CCCC 269982a_100000752442_100000210211 [0,0,0,1,0,0|2,0,1]=4 6049 B11R1.1 C=C1CCN(CC1)CCCC 34a_100000752442_100000210210 [0,0,0,1,0,0|2,0,1]=4 6050 B11R1.1 C=CCCN1CCC(CC1)O 2230a_100025773856_100000754431 [0,0,0,1,0,0|1,0,2]=4 6051 B11R1.1 C=CCCN1CCC(CC1)O 269982a_100025773856_100000754431 [0,0,0,1,0,0|1,0,2]=4 6052 B11R1.1 C=CCNC1CCC(CC1)O 270004a_100020586998_100000764474 [0,0,0,1,0,0|1,0,2]=4 6053 B11R1.1 CC#CCN1CCC(CC1)O 2230a_100025773856_100000748600 [0,0,0,1,0,0|1,0,2]=4 6054 B11R1.1 CC1CCC(CC1)CNCF 34a_103436935547_100015361967 [0,0,0,1,0,0|3,0,0]=4 6055 B11R1.1 CC1CCC(CC1)COCF 34a_100000701341_100015361967 [0,0,0,1,0,0|3,0,0]=4 6056 B11R1.1 CC1CCC(CC1)NCCF 34a_100000724931_200011216234 [0,0,0,1,0,0|3,0,0]=4 6057 B11R1.1 CC1CCC(CC1)NCCO 270004a_100000210304_100000185489 [0,0,0,1,0,0|3,0,0]=4 6058 B11R1.1 CC1CCC(CC1)NCCO 34a_100016990907_200011216234 [0,0,0,1,0,0|3,0,0]=4 6059 B11R1.1 CC1CCC(CC1)OCCBr 34a_100000211926_200011216234 [0,0,0,1,0,0|3,0,0]=4 6060 B11R1.1 CC1CCC(CC1)OCCF 34a_100000210714_100011217306 [0,0,0,1,0,0|3,0,0]=4 6061 B11R1.1 CC1CCC(CC1)OCCF 7a_100000210714_100011217306 [0,0,0,1,0,0|3,0,0]=4 6062 B11R1.1 CC1CCC(CC1)OCCN 34a_100000210304_200011216234 [0,0,0,1,0,0|3,0,0]=4 6063 B11R1.1 CC1CCC(CC1)OCCO 34a_100000210714_100000211926 [0,0,0,1,0,0|3,0,0]=4 6064 B11R1.1 CC1CCC(CC1)OCCO 7a_100000210714_100000211926 [0,0,0,1,0,0|3,0,0]=4 6065 B11R1.1 CC1CCC(CC1)SCCF 62a_100011217306_200011216234 [0,0,0,1,0,0|3,0,0]=4 6066 B11R1.1 CC1CCC(CC1)SCCO 62a_100000211926_200011216234 [0,0,0,1,0,0|3,0,0]=4 6067 B11R1.1 CC1CCN(CC1)CCCF 2230a_100000188429_100011934791 [0,0,0,1,0,0|3,0,0]=4 6068 B11R1.1 CC1CCN(CC1)CCCF 269982a_100000188429_100011934791 [0,0,0,1,0,0|3,0,0]=4 6069 B11R1.1 CC1CCN(CC1)CCCF 34a_100000188429_100011934791 [0,0,0,1,0,0|3,0,0]=4 6070 B11R1.1 CC1CCN(CC1)CCCO 2230a_100000188429_100000230001 [0,0,0,1,0,0|3,0,0]=4 6071 B11R1.1 CC1CCN(CC1)CCCO 269982a_100000188429_100011215043 [0,0,0,1,0,0|3,0,0]=4 6072 B11R1.1 CC1CCN(CC1)CCCO 34a_100000188429_100000230001 [0,0,0,1,0,0|3,0,0]=4 6073 B11R1.1 CC=CCN1CCC(CC1)O 2230a_100025773856_100000070051 [0,0,0,1,0,0|1,0,2]=4 6074 B11R1.1 CCCCC1CCN(CC1)C 2230a_200016987432_200000210301 [0,0,0,1,0,0|2,0,0]=3 6075 B11R1.1 CCCCC1CCN(CC1)C 269982a_200016987432_200000210301 [0,0,0,1,0,0|2,0,0]=3 6076 B11R1.1 CCCCC1CCN(CC1)C 34a_200016987432_200000210301 [0,0,0,1,0,0|2,0,0]=3 6077 B11R1.1 CCCCC1CCN(CC1)[13CH3] 2230a_200016987432_200025704644 [0,0,0,1,0,0|2,0,0]=3 6078 B11R1.1 CCCCC1CCN(CC1)[13CH3] 269982a_200016987432_200025704644 [0,0,0,1,0,0|2,0,0]=3 6079 B11R1.1 CCCCC1CCN(CC1)[13CH3] 34a_200016987432_200025704644 [0,0,0,1,0,0|2,0,0]=3 6080 B11R1.1 CCCCN1CCC(CC1)C 2230a_100000188429_100000210211 [0,0,0,1,0,0|2,0,0]=3 6081 B11R1.1 CCCCN1CCC(CC1)C 269982a_100000188429_100000210211 [0,0,0,1,0,0|2,0,0]=3 6082 B11R1.1 CCCCN1CCC(CC1)C 34a_100000188429_100000210210 [0,0,0,1,0,0|2,0,0]=3 6083 B11R1.1 CCCCN1CCC(CC1)F 2230a_100015193889_100000210211 [0,0,0,1,0,0|2,0,0]=3 6084 B11R1.1 CCCCN1CCC(CC1)F 269982a_100015193889_100000210211 [0,0,0,1,0,0|2,0,0]=3 6085 B11R1.1 CCCCN1CCC(CC1)F 34a_100015193889_100000210210 [0,0,0,1,0,0|2,0,0]=3 6086 B11R1.1 CCCCN1CCC(CC1)O 2230a_100025773856_100000210211 [0,0,0,1,0,0|1,0,0]=2 6087 B11R1.1 CCCCN1CCC(CC1)O 269982a_100025773856_100000210211 [0,0,0,1,0,0|1,0,0]=2 6088 B11R1.1 CCCCN1CCN(CC1)C 2230a_100000188432_100000210211 [0,0,0,1,0,0|3,0,0]=4 6089 B11R1.1 CCCCN1CCN(CC1)C 2230a_100011194250_200000210301 [0,0,0,1,0,0|3,0,0]=4 6090 B11R1.1 CCCCN1CCN(CC1)C 269982a_100000188432_100000210211 [0,0,0,1,0,0|3,0,0]=4 6091 B11R1.1 CCCCN1CCN(CC1)C 269982a_100011194250_200000210301 [0,0,0,1,0,0|3,0,0]=4 6092 B11R1.1 CCCCN1CCN(CC1)[13CH3] 2230a_100011194250_200025704644 [0,0,0,1,0,0|3,0,0]=4 6093 B11R1.1 CCCCN1CCN(CC1)[13CH3] 269982a_100011194250_200025704644 [0,0,0,1,0,0|3,0,0]=4 6094 B11R1.1 CCCCN1CCS(=O)CC1 2230a_100000752083_100000210211 [0,0,0,1,0,0|2,0,1]=4 6095 B11R1.1 CCCCN1CCS(=O)CC1 269982a_100000752083_100000210211 [0,0,0,1,0,0|2,0,1]=4 6096 B11R1.1 CCCNC1CCC(CC1)C 270004a_100020643023_100000185489 [0,0,0,1,0,0|2,0,0]=3 6097 B11R1.1 CCCNC1CCC(CC1)O 270004a_100020643023_100000764474 [0,0,0,1,0,0|1,0,0]=2 6098 B11R1.1 CCCNC1CCN(CC1)C 270004a_100020643023_100000210137 [0,0,0,1,0,0|3,0,0]=4 6099 B11R1.1 CCCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000210303 [0,0,0,1,0,0|2,0,0]=3 6100 B11R1.1 CCCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000210303 [0,0,0,1,0,0|2,0,0]=3 6101 B11R1.1 CCCOC1CCC(=O)CC1 34a_100000764474_100000210303 [0,0,0,1,0,0|1,0,2]=4 6102 B11R1.1 CCCOC1CCC(=O)CC1 7a_100000764474_100000210303 [0,0,0,1,0,0|1,0,2]=4 6103 B11R1.1 CCCOC1CCC(CC1)C 34a_100000210258_200011216234 [0,0,0,1,0,0|2,0,0]=3 6104 B11R1.1 CCCOC1CCC(CC1)C 34a_100000210714_100000210303 [0,0,0,1,0,0|2,0,0]=3 6105 B11R1.1 CCCOC1CCC(CC1)C 7a_100000210714_100000210303 [0,0,0,1,0,0|2,0,0]=3 6106 B11R1.1 CCCOC1CCN(CC1)C 2230a_100020629755_200000210301 [0,0,0,1,0,0|3,0,0]=4 6107 B11R1.1 CCCOC1CCN(CC1)C 269982a_100020629755_200000210301 [0,0,0,1,0,0|3,0,0]=4 6108 B11R1.1 CCCOC1CCN(CC1)C 34a_100020629755_200000210301 [0,0,0,1,0,0|3,0,0]=4 6109 B11R1.1 CCCOC1CCN(CC1)[13CH3] 2230a_100020629755_200025704644 [0,0,0,1,0,0|3,0,0]=4 6110 B11R1.1 CCCOC1CCN(CC1)[13CH3] 269982a_100020629755_200025704644 [0,0,0,1,0,0|3,0,0]=4 6111 B11R1.1 CCCOC1CCN(CC1)[13CH3] 34a_100020629755_200025704644 [0,0,0,1,0,0|3,0,0]=4 6112 B11R1.1 CCCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000210303 [0,0,0,1,0,0|2,0,0]=3 6113 B11R1.1 CCCSC1CCC(CC1)C 62a_100000210303_200011216234 [0,0,0,1,0,0|2,0,0]=3 6114 B11R1.1 CCCSC1CCN(CC1)C 62a_100000210303_100011215917 [0,0,0,1,0,0|3,0,0]=4 6115 B11R1.1 CCNCC1CCC(CC1)C 2230a_103436935547_100000210202 [0,0,0,1,0,0|2,0,0]=3 6116 B11R1.1 CCNCC1CCC(CC1)C 34a_103436935547_100000210202 [0,0,0,1,0,0|2,0,0]=3 6117 B11R1.1 CCNN=C1CCC(CC1)O 4a_100000756455_100000764474 [0,0,0,1,0,0|2,0,1]=4 6118 B11R1.1 CCOCC1CCC(=O)CC1 34a_100000062911_100000210202 [0,0,0,1,0,0|1,0,2]=4 6119 B11R1.1 CCOCC1CCC(CC1)C 34a_100000701341_100000210202 [0,0,0,1,0,0|2,0,0]=3 6120 B11R1.1 CCOCC1CCN(CC1)C 2230a_100000755292_200000210301 [0,0,0,1,0,0|3,0,0]=4 6121 B11R1.1 CCOCC1CCN(CC1)C 269982a_100000755292_200000210301 [0,0,0,1,0,0|3,0,0]=4 6122 B11R1.1 CCOCC1CCN(CC1)C 34a_100000755292_200000210301 [0,0,0,1,0,0|3,0,0]=4 6123 B11R1.1 CCOCC1CCN(CC1)[13CH3] 2230a_100000755292_200025704644 [0,0,0,1,0,0|3,0,0]=4 6124 B11R1.1 CCOCC1CCN(CC1)[13CH3] 269982a_100000755292_200025704644 [0,0,0,1,0,0|3,0,0]=4 6125 B11R1.1 CCOCC1CCN(CC1)[13CH3] 34a_100000755292_200025704644 [0,0,0,1,0,0|3,0,0]=4 6126 B11R1.1 CCOCN1CCC(CC1)C 269982a_100000188429_100000739092 [0,0,0,1,0,0|3,0,0]=4 6127 B11R1.1 CCOCN1CCC(CC1)F 269982a_100015193889_100000739092 [0,0,0,1,0,0|3,0,0]=4 6128 B11R1.1 CCOCN1CCC(CC1)O 269982a_100025773856_100000739092 [0,0,0,1,0,0|2,0,0]=3 6129 B11R1.1 CCOC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100000210202 [0,0,0,1,0,0|2,0,0]=3 6130 B11R1.1 CCSCC1CCN(CC1)C 62a_100000210202_100015183002 [0,0,0,1,0,0|3,0,0]=4 6131 B11R1.1 CCSCC1CCN(CC1)C 62a_100015183002_100000210202 [0,0,0,1,0,0|3,0,0]=4 6132 B11R1.1 CN1CCC(CC1)CCCO 2230a_100016988962_200000210301 [0,0,0,1,0,0|3,0,0]=4 6133 B11R1.1 CN1CCC(CC1)CCCO 269982a_100016988962_200000210301 [0,0,0,1,0,0|3,0,0]=4 6134 B11R1.1 CN1CCC(CC1)CCCO 34a_100016988962_200000210301 [0,0,0,1,0,0|3,0,0]=4 6135 B11R1.1 CNCCC1CCC(CC1)O 34a_200011935226_200000210301 [0,0,0,1,0,0|1,0,0]=2 6136 B11R1.1 COCCC1CCC(CC1)N 34a_100000070672_200000210301 [0,0,0,1,0,0|2,0,0]=3 6137 B11R1.1 COCCC1CCN(CC1)C 2230a_100011255180_200000210301 [0,0,0,1,0,0|3,0,0]=4 6138 B11R1.1 COCCC1CCN(CC1)C 269982a_100011255180_200000210301 [0,0,0,1,0,0|3,0,0]=4 6139 B11R1.1 COCCC1CCN(CC1)C 34a_100011255180_200000210301 [0,0,0,1,0,0|3,0,0]=4 6140 B11R1.1 COCCC1CCN(CC1)[13CH3] 2230a_100011255180_200025704644 [0,0,0,1,0,0|3,0,0]=4 6141 B11R1.1 COCCC1CCN(CC1)[13CH3] 269982a_100011255180_200025704644 [0,0,0,1,0,0|3,0,0]=4 6142 B11R1.1 COCCC1CCN(CC1)[13CH3] 34a_100011255180_200025704644 [0,0,0,1,0,0|3,0,0]=4 6143 B11R1.1 COCCN1CCC(CC1)C 2230a_100000188429_100011201679 [0,0,0,1,0,0|3,0,0]=4 6144 B11R1.1 COCCN1CCC(CC1)C 269982a_100000188429_100000233755 [0,0,0,1,0,0|3,0,0]=4 6145 B11R1.1 COCCN1CCC(CC1)C 34a_100000188429_100011201679 [0,0,0,1,0,0|3,0,0]=4 6146 B11R1.1 COCCN1CCC(CC1)F 2230a_100015193889_100011201679 [0,0,0,1,0,0|3,0,0]=4 6147 B11R1.1 COCCN1CCC(CC1)F 269982a_100015193889_100000233755 [0,0,0,1,0,0|3,0,0]=4 6148 B11R1.1 COCCN1CCC(CC1)F 34a_100015193889_100011201679 [0,0,0,1,0,0|3,0,0]=4 6149 B11R1.1 COCCN1CCC(CC1)O 2230a_100025773856_100011201679 [0,0,0,1,0,0|2,0,0]=3 6150 B11R1.1 COCCN1CCC(CC1)O 269982a_100025773856_100000233755 [0,0,0,1,0,0|2,0,0]=3 6151 B11R1.1 COCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000766300 [0,0,0,1,0,0|3,0,0]=4 6152 B11R1.1 COCSC1CCC(CC1)C 62a_100000766300_200011216234 [0,0,0,1,0,0|3,0,0]=4 6153 B11R1.1 CSCCN1CCC(CC1)C 2230a_100000188429_100000751147 [0,0,0,1,0,0|3,0,0]=4 6154 B11R1.1 CSCCN1CCC(CC1)C 269982a_100000188429_100000212216 [0,0,0,1,0,0|3,0,0]=4 6155 B11R1.1 CSCCN1CCC(CC1)C 34a_100000188429_100000212216 [0,0,0,1,0,0|3,0,0]=4 6156 B11R1.1 CSCCN1CCC(CC1)F 2230a_100015193889_100000751147 [0,0,0,1,0,0|3,0,0]=4 6157 B11R1.1 CSCCN1CCC(CC1)F 269982a_100015193889_100000212216 [0,0,0,1,0,0|3,0,0]=4 6158 B11R1.1 CSCCN1CCC(CC1)F 34a_100015193889_100000212216 [0,0,0,1,0,0|3,0,0]=4 6159 B11R1.1 CSCCN1CCC(CC1)O 2230a_100025773856_100000751147 [0,0,0,1,0,0|2,0,0]=3 6160 B11R1.1 CSCCN1CCC(CC1)O 269982a_100025773856_100000212216 [0,0,0,1,0,0|2,0,0]=3 6161 B11R1.1 CSCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100011218213 [0,0,0,1,0,0|3,0,0]=4 6162 B11R1.1 CSCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100011218213 [0,0,0,1,0,0|3,0,0]=4 6163 B11R1.1 CSCOC1CCC(CC1)C 34a_100000210714_100011218213 [0,0,0,1,0,0|3,0,0]=4 6164 B11R1.1 CSCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100011218213 [0,0,0,1,0,0|3,0,0]=4 6165 B11R1.1 CSCSC1CCC(CC1)C 62a_100011218213_200011216234 [0,0,0,1,0,0|3,0,0]=4 6166 B11R1.1 C[C@H]1CC[C@@H](CC1)NCCF 2230a_100020625639_100011217306 [0,0,0,1,0,0|3,0,0]=4 6167 B11R1.1 C[C@H]1CC[C@@H](CC1)NCCF 34a_100020625639_100011217306 [0,0,0,1,0,0|3,0,0]=4 6168 B11R1.1 C[C@H]1CC[C@@H](CC1)NCCO 2230a_100020625639_100000211926 [0,0,0,1,0,0|3,0,0]=4 6169 B11R1.1 C[C@H]1CC[C@@H](CC1)NCCO 34a_100020625639_100000211926 [0,0,0,1,0,0|3,0,0]=4 6170 B11R1.1 FCCCN1CCC(CC1)F 2230a_100015193889_100011934791 [0,0,0,1,0,0|3,0,0]=4 6171 B11R1.1 FCCCN1CCC(CC1)F 269982a_100015193889_100011934791 [0,0,0,1,0,0|3,0,0]=4 6172 B11R1.1 FCCCN1CCC(CC1)F 34a_100015193889_100011934791 [0,0,0,1,0,0|3,0,0]=4 6173 B11R1.1 N#CCCN1CCC(CC1)O 2230a_100025773856_100011215226 [0,0,0,1,0,0|2,0,1]=4 6174 B11R1.1 N#CCCN1CCC(CC1)O 269982a_100025773856_100011215226 [0,0,0,1,0,0|2,0,1]=4 6175 B11R1.1 N[C@H]1CC[C@@H](CC1)COCF 34a_100009821084_100015361967 [0,0,0,1,0,0|3,0,0]=4 6176 B11R1.1 N[C@H]1CC[C@H](CC1)OCCF 34a_100020628982_100011217306 [0,0,0,1,0,0|3,0,0]=4 6177 B11R1.1 N[C@H]1CC[C@H](CC1)OCCO 34a_100020628982_100000211926 [0,0,0,1,0,0|3,0,0]=4 6178 B11R1.1 OC1CCN(CC1)CCCF 2230a_100025773856_100011934791 [0,0,0,1,0,0|2,0,0]=3 6179 B11R1.1 OC1CCN(CC1)CCCF 269982a_100025773856_100011934791 [0,0,0,1,0,0|2,0,0]=3 6180 B11R1.1 OCCCN1CCC(CC1)F 2230a_100015193889_100000230001 [0,0,0,1,0,0|3,0,0]=4 6181 B11R1.1 OCCCN1CCC(CC1)F 269982a_100015193889_100011215043 [0,0,0,1,0,0|3,0,0]=4 6182 B11R1.1 OCCCN1CCC(CC1)F 34a_100015193889_100000230001 [0,0,0,1,0,0|3,0,0]=4 6183 B11R1.1 OCCCN1CCC(CC1)O 2230a_100025773856_100000230001 [0,0,0,1,0,0|2,0,0]=3 6184 B11R1.1 OCCCN1CCC(CC1)O 269982a_100025773856_100011215043 [0,0,0,1,0,0|2,0,0]=3 6185 B11R1.1 OCCNC1CCC(CC1)O 270004a_100000210304_100000764474 [0,0,0,1,0,0|2,0,0]=3 6186 B11R1.1 [13CH3]N1CCC(CC1)CCCO 2230a_100016988962_200025704644 [0,0,0,1,0,0|3,0,0]=4 6187 B11R1.1 [13CH3]N1CCC(CC1)CCCO 269982a_100016988962_200025704644 [0,0,0,1,0,0|3,0,0]=4 6188 B11R1.1 [13CH3]N1CCC(CC1)CCCO 34a_100016988962_200025704644 [0,0,0,1,0,0|3,0,0]=4 6189 B11R1.1 [13CH3]NCCC1CCC(CC1)O 34a_200011935226_200025704644 [0,0,0,1,0,0|1,0,0]=2 6190 B11R1.1 [13CH3]OCCC1CCC(CC1)N 34a_100000070672_200025704644 [0,0,0,1,0,0|2,0,0]=3 6191 B11R1.13 CC1CCCC(C1C)NCF 34a_100000211273_100015361967 [0,0,0,1,0,0|3,0,0]=4 6192 B11R1.13 CC1CCCC(C1C)OCF 34a_100011217532_100015361967 [0,0,0,1,0,0|3,0,0]=4 6193 B11R1.13 CC1CCCC(C1C)OCF 7a_100011217532_100015361967 [0,0,0,1,0,0|3,0,0]=4 6194 B11R1.13 CCNC1CCCC(C1C)C 2230a_100000211273_100000210202 [0,0,0,1,0,0|2,0,0]=3 6195 B11R1.13 CCNC1CCCC(C1C)C 34a_100000211273_100000210202 [0,0,0,1,0,0|2,0,0]=3 6196 B11R1.13 CCOC1CCCC(C1C)C 34a_100011217532_100000210202 [0,0,0,1,0,0|2,0,0]=3 6197 B11R1.13 CCOC1CCCC(C1C)C 7a_100011217532_100000210202 [0,0,0,1,0,0|2,0,0]=3 6198 B11R1.25 C=CC(O)CNC1CCCC1 2230a_100000211070_100000730141 [0,0,0,1,0,0|1,0,2]=4 6199 B11R1.25 C=CC(O)CNC1CCCC1 34a_100000211070_100000730141 [0,0,0,1,0,0|1,0,2]=4 6200 B11R1.25 C=CC(O)COC1CCCC1 34a_100000210269_100000730141 [0,0,0,1,0,0|1,0,2]=4 6201 B11R1.25 C=CC(O)COC1CCCC1 7a_100000210269_100000730141 [0,0,0,1,0,0|1,0,2]=4 6202 B11R1.25 C=CC(O)CSC1CCCC1 62a_100000730141_100000179811 [0,0,0,1,0,0|1,0,2]=4 6203 B11R1.25 C=CC(O)CSC1CCCC1 62a_100011217020_100000730141 [0,0,0,1,0,0|1,0,2]=4 6204 B11R1.25 CC(CF)OCC1CCCC1 34a_100016041109_100000740388 [0,0,0,1,0,0|3,0,0]=4 6205 B11R1.25 CC(CF)OCC1CCCC1 7a_100016041109_100000740388 [0,0,0,1,0,0|3,0,0]=4 6206 B11R1.25 CC(CN)COC1CCCC1 34a_100000744482_100000179811 [0,0,0,1,0,0|3,0,0]=4 6207 B11R1.25 CC(CN)OCC1CCCC1 34a_100000210904_100000740388 [0,0,0,1,0,0|3,0,0]=4 6208 B11R1.25 CC(CO)CNC1CCCC1 34a_100000744482_100000179811 [0,0,0,1,0,0|3,0,0]=4 6209 B11R1.25 CC(CO)NCC1CCCC1 2230a_100000737975_100012180447 [0,0,0,1,0,0|3,0,0]=4 6210 B11R1.25 CC(CO)NCC1CCCC1 34a_100000737975_100012180447 [0,0,0,1,0,0|3,0,0]=4 6211 B11R1.25 CC(CO)OCC1CCCC1 34a_100000742336_100012180447 [0,0,0,1,0,0|3,0,0]=4 6212 B11R1.25 CC(CO)OCC1CCCC1 7a_100000742336_100012180447 [0,0,0,1,0,0|3,0,0]=4 6213 B11R1.25 CC(CO)SCC1CCCC1 62a_100012180447_100000740388 [0,0,0,1,0,0|3,0,0]=4 6214 B11R1.25 CCC(=O)CCC1CCCC1 1458a_100000210414_100000760354 [0,0,0,1,0,0|0,0,2]=3 6215 B11R1.25 CCC(=O)CCC1CCCC1 1458a_100000211120_100000210202 [0,0,0,1,0,0|0,0,2]=3 6216 B11R1.25 CCC(=O)CCC1CCCO1 1458a_100011247709_100000210202 [0,0,0,1,0,0|1,0,2]=4 6217 B11R1.25 CCC(=O)CCN1CCCC1 1458a_100000210414_100000004467 [0,0,0,1,0,0|1,0,2]=4 6218 B11R1.25 CCC(=O)CCN1CCCC1 1458a_100000738983_100000210202 [0,0,0,1,0,0|1,0,2]=4 6219 B11R1.25 CCC(=O)COC1CCCC1 1458a_100000741352_100000210202 [0,0,0,1,0,0|1,0,2]=4 6220 B11R1.25 CCC(=O)COC1CCCC1 34a_100000725409_100000179811 [0,0,0,1,0,0|1,0,2]=4 6221 B11R1.25 CCC(=O)COC1CCCC1 7a_100000210269_100000747405 [0,0,0,1,0,0|1,0,2]=4 6222 B11R1.25 CCC(=O)CSC1CCCC1 62a_100000747405_100000179811 [0,0,0,1,0,0|1,0,2]=4 6223 B11R1.25 CCC(=O)CSC1CCCC1 62a_100011217020_100000747405 [0,0,0,1,0,0|1,0,2]=4 6224 B11R1.25 CCC(=O)NCC1CCCC1 11a_100000737975_100000210414 [0,0,0,1,0,0|1,0,2]=4 6225 B11R1.25 CCC(=O)NCC1CCCC1 1626a_100000737975_100000210414 [0,0,0,1,0,0|1,0,2]=4 6226 B11R1.25 CCC(=O)NCC1CCCC1 240690a_100000737975_100000210414 [0,0,0,1,0,0|1,0,2]=4 6227 B11R1.25 CCC(=O)NCC1CCCC1 527a_100000737975_100000210414 [0,0,0,1,0,0|1,0,2]=4 6228 B11R1.25 CCC(C)CNC1CCCC1 2230a_100000211070_100000748023 [0,0,0,1,0,0|2,0,0]=3 6229 B11R1.25 CCC(C)CNC1CCCC1 2230a_100020588543_100000179811 [0,0,0,1,0,0|2,0,0]=3 6230 B11R1.25 CCC(C)CNC1CCCC1 270004a_100000211070_100000243153 [0,0,0,1,0,0|2,0,0]=3 6231 B11R1.25 CCC(C)CNC1CCCC1 270004a_100020588543_100000210133 [0,0,0,1,0,0|2,0,0]=3 6232 B11R1.25 CCC(C)CNC1CCCC1 34a_100000211070_100000748023 [0,0,0,1,0,0|2,0,0]=3 6233 B11R1.25 CCC(C)CNC1CCOC1 2230a_100020588543_100000731011 [0,0,0,1,0,0|3,0,0]=4 6234 B11R1.25 CCC(C)CNC1CCOC1 270004a_100020588543_100000752484 [0,0,0,1,0,0|3,0,0]=4 6235 B11R1.25 CCC(C)CNC1CCSC1 270004a_100020588543_100000212027 [0,0,0,1,0,0|3,0,0]=4 6236 B11R1.25 CCC(C)CN[C@@H]1CCOC1 2230a_200015188469_100000748023 [0,0,0,1,0,0|3,0,0]=4 6237 B11R1.25 CCC(C)CN[C@@H]1CCOC1 270004a_200015188469_100000243153 [0,0,0,1,0,0|3,0,0]=4 6238 B11R1.25 CCC(C)CN[C@H]1CCOC1 2230a_100015188467_100000748023 [0,0,0,1,0,0|3,0,0]=4 6239 B11R1.25 CCC(C)CN[C@H]1CCOC1 270004a_100015188467_100000243153 [0,0,0,1,0,0|3,0,0]=4 6240 B11R1.25 CCC(C)CN[C@H]1CCOC1 34a_100015188467_100000748023 [0,0,0,1,0,0|3,0,0]=4 6241 B11R1.25 CCC(C)COC1CCCC1 34a_100000210269_100000748023 [0,0,0,1,0,0|2,0,0]=3 6242 B11R1.25 CCC(C)COC1CCCC1 7a_100000210269_100000748023 [0,0,0,1,0,0|2,0,0]=3 6243 B11R1.25 CCC(C)COC1CCCO1 34a_100000085407_100000748023 [0,0,0,1,0,0|3,0,0]=4 6244 B11R1.25 CCC(C)COC1CCSC1 7a_100011232664_100000748023 [0,0,0,1,0,0|3,0,0]=4 6245 B11R1.25 CCC(C)CO[C@H]1CCOC1 34a_100000717292_100000748023 [0,0,0,1,0,0|3,0,0]=4 6246 B11R1.25 CCC(C)CSC1CCCC1 62a_100000748023_100000179811 [0,0,0,1,0,0|2,0,0]=3 6247 B11R1.25 CCC(C)CSC1CCCC1 62a_100011217020_100000748023 [0,0,0,1,0,0|2,0,0]=3 6248 B11R1.25 CCC(C)CSC1CCOC1 62a_100000748023_100000690089 [0,0,0,1,0,0|3,0,0]=4 6249 B11R1.25 CCC(C)NCC1CCCC1 2230a_100000209981_100000740388 [0,0,0,1,0,0|2,0,0]=3 6250 B11R1.25 CCC(C)NCC1CCCC1 2230a_100000737975_100000758301 [0,0,0,1,0,0|2,0,0]=3 6251 B11R1.25 CCC(C)NCC1CCCC1 269862a_100000209981_100000746403 [0,0,0,1,0,0|2,0,0]=3 6252 B11R1.25 CCC(C)NCC1CCCC1 34a_100000737975_100011215416 [0,0,0,1,0,0|2,0,0]=3 6253 B11R1.25 CCC(C)NCC1CCCO1 2230a_100000209981_100000203698 [0,0,0,1,0,0|3,0,0]=4 6254 B11R1.25 CCC(C)NCC1CCOC1 2230a_100000209981_100000702531 [0,0,0,1,0,0|3,0,0]=4 6255 B11R1.25 CCC(C)NCC1CCOC1 2230a_100000737293_100000758301 [0,0,0,1,0,0|3,0,0]=4 6256 B11R1.25 CCC(C)NCC1CCOC1 34a_100000737293_100011215416 [0,0,0,1,0,0|3,0,0]=4 6257 B11R1.25 CCC(C)NC[C@@H]1CCCO1 2230a_100020590478_100000758301 [0,0,0,1,0,0|3,0,0]=4 6258 B11R1.25 CCC(C)NC[C@@H]1CCCO1 34a_100020590478_100011215416 [0,0,0,1,0,0|3,0,0]=4 6259 B11R1.25 CCC(C)OCC1CCCC1 34a_100000742336_100011215416 [0,0,0,1,0,0|2,0,0]=3 6260 B11R1.25 CCC(C)OCC1CCCC1 7a_100000210228_100000740388 [0,0,0,1,0,0|2,0,0]=3 6261 B11R1.25 CCC(C)OCC1CCCC1 7a_100000742336_100000758301 [0,0,0,1,0,0|2,0,0]=3 6262 B11R1.25 CCC(C)OCC1CCCO1 34a_100000210270_100011215416 [0,0,0,1,0,0|3,0,0]=4 6263 B11R1.25 CCC(C)OCC1CCCO1 7a_100000210228_100000203698 [0,0,0,1,0,0|3,0,0]=4 6264 B11R1.25 CCC(C)OCC1CCCO1 7a_100000210270_100000758301 [0,0,0,1,0,0|3,0,0]=4 6265 B11R1.25 CCC(C)OCC1CCNC1 34a_100000748654_100011215416 [0,0,0,1,0,0|3,0,0]=4 6266 B11R1.25 CCC(C)OCC1CCOC1 34a_100000740260_100011215416 [0,0,0,1,0,0|3,0,0]=4 6267 B11R1.25 CCC(C)OCC1CCOC1 7a_100000210228_100000702531 [0,0,0,1,0,0|3,0,0]=4 6268 B11R1.25 CCC(C)OC[C@H]1CCCN1 34a_100000745186_100011215416 [0,0,0,1,0,0|3,0,0]=4 6269 B11R1.25 CCC(C)SCC1CCCC1 62a_100000740388_100000758301 [0,0,0,1,0,0|2,0,0]=3 6270 B11R1.25 CCC(C)SCC1CCCC1 62a_100000758301_100000740388 [0,0,0,1,0,0|2,0,0]=3 6271 B11R1.25 CCC(C)SCC1CCCO1 62a_100000203698_100000758301 [0,0,0,1,0,0|3,0,0]=4 6272 B11R1.25 CCC(C)SCC1CCCO1 62a_100000758301_100000203698 [0,0,0,1,0,0|3,0,0]=4 6273 B11R1.25 CCC(C)SCC1CCOC1 62a_100000702531_100000758301 [0,0,0,1,0,0|3,0,0]=4 6274 B11R1.25 CCC(C)SCC1CCOC1 62a_100000758301_100000702531 [0,0,0,1,0,0|3,0,0]=4 6275 B11R1.25 CCC(O)CNC1CC=CC1 2230a_100015188752_100011218378 [0,0,0,1,0,0|1,0,2]=4 6276 B11R1.25 CCC(O)CNC1CCCC1 2230a_100000211070_100011218378 [0,0,0,1,0,0|1,0,0]=2 6277 B11R1.25 CCC(O)CNC1CCCC1 2230a_100011218483_100000179811 [0,0,0,1,0,0|1,0,0]=2 6278 B11R1.25 CCC(O)CNC1CCCC1 270004a_100011218483_100000210133 [0,0,0,1,0,0|1,0,0]=2 6279 B11R1.25 CCC(O)CNC1CCCC1 34a_100000211070_100011218378 [0,0,0,1,0,0|1,0,0]=2 6280 B11R1.25 CCC(O)CNC1CCOC1 2230a_100011218483_100000731011 [0,0,0,1,0,0|2,0,0]=3 6281 B11R1.25 CCC(O)CNC1CCOC1 270004a_100011218483_100000752484 [0,0,0,1,0,0|2,0,0]=3 6282 B11R1.25 CCC(O)CNC1CCSC1 270004a_100011218483_100000212027 [0,0,0,1,0,0|2,0,0]=3 6283 B11R1.25 CCC(O)CN[C@@H]1CCOC1 2230a_200015188469_100011218378 [0,0,0,1,0,0|2,0,0]=3 6284 B11R1.25 CCC(O)CN[C@H]1CCOC1 2230a_100015188467_100011218378 [0,0,0,1,0,0|2,0,0]=3 6285 B11R1.25 CCC(O)CN[C@H]1CCOC1 34a_100015188467_100011218378 [0,0,0,1,0,0|2,0,0]=3 6286 B11R1.25 CCC(O)COC1CCCC1 34a_100000210269_100011218378 [0,0,0,1,0,0|1,0,0]=2 6287 B11R1.25 CCC(O)COC1CCCC1 7a_100000210269_100011218378 [0,0,0,1,0,0|1,0,0]=2 6288 B11R1.25 CCC(O)COC1CCCO1 34a_100000085407_100011218378 [0,0,0,1,0,0|2,0,0]=3 6289 B11R1.25 CCC(O)COC1CCSC1 7a_100011232664_100011218378 [0,0,0,1,0,0|2,0,0]=3 6290 B11R1.25 CCC(O)CO[C@H]1CCOC1 34a_100000717292_100011218378 [0,0,0,1,0,0|2,0,0]=3 6291 B11R1.25 CCC(O)CSC1CCCC1 62a_100011217020_100011218378 [0,0,0,1,0,0|1,0,0]=2 6292 B11R1.25 CCC(O)CSC1CCCC1 62a_100011218378_100000179811 [0,0,0,1,0,0|1,0,0]=2 6293 B11R1.25 CCC(O)CSC1CCOC1 62a_100011218378_100000690089 [0,0,0,1,0,0|2,0,0]=3 6294 B11R1.25 CCN(C)CCC1CCCC1 2230a_100000225621_100000760354 [0,0,0,1,0,0|2,0,0]=3 6295 B11R1.25 CCN(C)CCC1CCCC1 269982a_100000225621_100000760354 [0,0,0,1,0,0|2,0,0]=3 6296 B11R1.25 CCN(C)CCN1CCCC1 2230a_100000225677_100000210202 [0,0,0,1,0,0|3,0,0]=4 6297 B11R1.25 CCN(C)CCN1CCCC1 2230a_100000226055_200000210301 [0,0,0,1,0,0|3,0,0]=4 6298 B11R1.25 CCN(C)CCN1CCCC1 269982a_100000225621_100000004467 [0,0,0,1,0,0|3,0,0]=4 6299 B11R1.25 CCN(C)CCN1CCCC1 269982a_100000225677_100000204670 [0,0,0,1,0,0|3,0,0]=4 6300 B11R1.25 CCN(C)CCN1CCCC1 269982a_100000226055_200000210301 [0,0,0,1,0,0|3,0,0]=4 6301 B11R1.25 CCN([13CH3])CCN1CCCC1 2230a_100000226055_200025704644 [0,0,0,1,0,0|3,0,0]=4 6302 B11R1.25 CCN([13CH3])CCN1CCCC1 269982a_100000226055_200025704644 [0,0,0,1,0,0|3,0,0]=4 6303 B11R1.25 CC[C@H](C)CNC1CCCC1 2230a_100000211070_100009816398 [0,0,0,1,0,0|2,0,0]=3 6304 B11R1.25 CC[C@H](C)CNC1CCCC1 34a_100000211070_100009816398 [0,0,0,1,0,0|2,0,0]=3 6305 B11R1.25 CC[C@H](C)CN[C@@H]1CCOC1 2230a_200015188469_100009816398 [0,0,0,1,0,0|3,0,0]=4 6306 B11R1.25 CC[C@H](C)CN[C@H]1CCOC1 2230a_100015188467_100009816398 [0,0,0,1,0,0|3,0,0]=4 6307 B11R1.25 CC[C@H](C)CN[C@H]1CCOC1 34a_100015188467_100009816398 [0,0,0,1,0,0|3,0,0]=4 6308 B11R1.25 CC[C@H](C)COC1CCCC1 34a_100000210269_100009816398 [0,0,0,1,0,0|2,0,0]=3 6309 B11R1.25 CC[C@H](C)COC1CCCC1 7a_100000210269_100009816398 [0,0,0,1,0,0|2,0,0]=3 6310 B11R1.25 CC[C@H](C)COC1CCCC1 7a_100009816381_100000179811 [0,0,0,1,0,0|2,0,0]=3 6311 B11R1.25 CC[C@H](C)COC1CCCO1 34a_100000085407_100009816398 [0,0,0,1,0,0|3,0,0]=4 6312 B11R1.25 CC[C@H](C)COC1CCOC1 7a_100009816381_100000731011 [0,0,0,1,0,0|3,0,0]=4 6313 B11R1.25 CC[C@H](C)COC1CCSC1 7a_100011232664_100009816398 [0,0,0,1,0,0|3,0,0]=4 6314 B11R1.25 CC[C@H](C)CO[C@H]1CCOC1 34a_100000717292_100009816398 [0,0,0,1,0,0|3,0,0]=4 6315 B11R1.25 CC[C@H](C)CSC1CCCC1 62a_100009816398_100000179811 [0,0,0,1,0,0|2,0,0]=3 6316 B11R1.25 CC[C@H](C)CSC1CCCC1 62a_100011217020_100009816398 [0,0,0,1,0,0|2,0,0]=3 6317 B11R1.25 CC[C@H](C)CSC1CCOC1 62a_100009816398_100000690089 [0,0,0,1,0,0|3,0,0]=4 6318 B11R1.25 CNC(=O)CCC1CCCC1 11a_106832991635_100000211120 [0,0,0,1,0,0|1,0,2]=4 6319 B11R1.25 CNC(=O)CCC1CCCC1 1626a_100102657272_100000211120 [0,0,0,1,0,0|1,0,2]=4 6320 B11R1.25 CNC(=O)CCC1CCCC1 240690a_100102657272_100000211120 [0,0,0,1,0,0|1,0,2]=4 6321 B11R1.25 CNC(=O)CCC1CCCC1 527a_100102657272_100000211120 [0,0,0,1,0,0|1,0,2]=4 6322 B11R1.25 COC(C)COC1CCCC1 34a_100000690652_100000179811 [0,0,0,1,0,0|3,0,0]=4 6323 B11R1.25 COC(C)SCC1CCCC1 62a_100000740388_100009879195 [0,0,0,1,0,0|3,0,0]=4 6324 B11R1.25 COC(C)SCC1CCCC1 62a_100009879195_100000740388 [0,0,0,1,0,0|3,0,0]=4 6325 B11R1.25 CO[C@H](C)CNC1CCCC1 2230a_100020591295_100000179811 [0,0,0,1,0,0|3,0,0]=4 6326 B11R1.25 CO[C@H](C)CNC1CCCC1 270004a_100020591295_100000210133 [0,0,0,1,0,0|3,0,0]=4 6327 B11R1.25 C[C@@H](CO)CNC1CCCC1 2230a_100000211070_100000059175 [0,0,0,1,0,0|3,0,0]=4 6328 B11R1.25 C[C@@H](CO)CNC1CCCC1 34a_100000211070_100000059175 [0,0,0,1,0,0|3,0,0]=4 6329 B11R1.25 C[C@@H](CO)COC1CCCC1 34a_100000210269_100000059175 [0,0,0,1,0,0|3,0,0]=4 6330 B11R1.25 C[C@@H](CO)COC1CCCC1 7a_100000210269_100000059175 [0,0,0,1,0,0|3,0,0]=4 6331 B11R1.25 C[C@@H](CO)CSC1CCCC1 62a_100000059175_100000179811 [0,0,0,1,0,0|3,0,0]=4 6332 B11R1.25 C[C@@H](CO)CSC1CCCC1 62a_100011217020_100000059175 [0,0,0,1,0,0|3,0,0]=4 6333 B11R1.25 C[C@H](CF)NCC1CCCC1 269862a_100102880703_100000746403 [0,0,0,1,0,0|3,0,0]=4 6334 B11R1.25 C[C@H](CO)NCC1CCCC1 2230a_100000737577_100000740388 [0,0,0,1,0,0|3,0,0]=4 6335 B11R1.25 C[C@H](CO)NCC1CCCC1 269862a_100000737577_100000746403 [0,0,0,1,0,0|3,0,0]=4 6336 B11R1.25 C[C@H](CO)SCC1CCCC1 62a_100000740388_100016084084 [0,0,0,1,0,0|3,0,0]=4 6337 B11R1.25 C[C@H](CO)SCC1CCCC1 62a_100016084084_100000740388 [0,0,0,1,0,0|3,0,0]=4 6338 B11R1.25 ClCC(Cl)COC1CCCC1 34a_100000033668_100000179811 [0,0,0,1,0,0|3,0,0]=4 6339 B11R1.25 NC[C@@H](F)COC1CCCC1 34a_100015665980_100000179811 [0,0,0,1,0,0|3,0,0]=4 6340 B11R1.25 O=C(CF)CCC1CCCC1 1458a_100000211120_100015361967 [0,0,0,1,0,0|1,0,2]=4 6341 B11R1.25 O=C(CO)CCC1CCCC1 1458a_100000210174_100000760354 [0,0,0,1,0,0|1,0,2]=4 6342 B11R1.25 OCC(O)CNC1CCCC1 2230a_100000211070_100011219619 [0,0,0,1,0,0|2,0,0]=3 6343 B11R1.25 OCC(O)CNC1CCCC1 34a_100000211070_100011219619 [0,0,0,1,0,0|2,0,0]=3 6344 B11R1.25 OCC(O)CN[C@@H]1CCOC1 2230a_200015188469_100011219619 [0,0,0,1,0,0|3,0,0]=4 6345 B11R1.25 OCC(O)CN[C@H]1CCOC1 2230a_100015188467_100011219619 [0,0,0,1,0,0|3,0,0]=4 6346 B11R1.25 OCC(O)CN[C@H]1CCOC1 34a_100015188467_100011219619 [0,0,0,1,0,0|3,0,0]=4 6347 B11R1.25 OCC(O)COC1CCCC1 34a_100000210269_100011219619 [0,0,0,1,0,0|2,0,0]=3 6348 B11R1.25 OCC(O)COC1CCCC1 7a_100000210269_100011219619 [0,0,0,1,0,0|2,0,0]=3 6349 B11R1.25 OCC(O)COC1CCCO1 34a_100000085407_100011219619 [0,0,0,1,0,0|3,0,0]=4 6350 B11R1.25 OCC(O)COC1CCSC1 7a_100011232664_100011219619 [0,0,0,1,0,0|3,0,0]=4 6351 B11R1.25 OCC(O)CO[C@H]1CCOC1 34a_100000717292_100011219619 [0,0,0,1,0,0|3,0,0]=4 6352 B11R1.25 OCC(O)CSC1CCCC1 62a_100011217020_100011219619 [0,0,0,1,0,0|2,0,0]=3 6353 B11R1.25 OCC(O)CSC1CCCC1 62a_100011219619_100000179811 [0,0,0,1,0,0|2,0,0]=3 6354 B11R1.25 OCC(O)CSC1CCOC1 62a_100011219619_100000690089 [0,0,0,1,0,0|3,0,0]=4 6355 B11R1.25 OC[C@@H](O)CNC1CCCC1 2230a_100020644852_100000179811 [0,0,0,1,0,0|2,0,0]=3 6356 B11R1.25 OC[C@@H](O)CNC1CCOC1 2230a_100020644852_100000731011 [0,0,0,1,0,0|3,0,0]=4 6357 B11R1.25 OC[C@H](F)CNC1CCCC1 270004a_100015665980_100000210133 [0,0,0,1,0,0|3,0,0]=4 6358 B11R1.25 OC[C@H](F)CNC1CCCC1 34a_100015665980_100000179811 [0,0,0,1,0,0|3,0,0]=4 6359 B11R1.25 OC[C@H](O)CNC1CCCC1 2230a_100000211070_100009815848 [0,0,0,1,0,0|2,0,0]=3 6360 B11R1.25 OC[C@H](O)CNC1CCCC1 34a_100000211070_100009815848 [0,0,0,1,0,0|2,0,0]=3 6361 B11R1.25 OC[C@H](O)CN[C@@H]1CCOC1 2230a_200015188469_100009815848 [0,0,0,1,0,0|3,0,0]=4 6362 B11R1.25 OC[C@H](O)CN[C@H]1CCOC1 2230a_100015188467_100009815848 [0,0,0,1,0,0|3,0,0]=4 6363 B11R1.25 OC[C@H](O)CN[C@H]1CCOC1 34a_100015188467_100009815848 [0,0,0,1,0,0|3,0,0]=4 6364 B11R1.25 OC[C@H](O)COC1CCCC1 34a_100000210269_100009815848 [0,0,0,1,0,0|2,0,0]=3 6365 B11R1.25 OC[C@H](O)COC1CCCC1 7a_100000210269_100009815848 [0,0,0,1,0,0|2,0,0]=3 6366 B11R1.25 OC[C@H](O)COC1CCCO1 34a_100000085407_100009815848 [0,0,0,1,0,0|3,0,0]=4 6367 B11R1.25 OC[C@H](O)COC1CCSC1 7a_100011232664_100009815848 [0,0,0,1,0,0|3,0,0]=4 6368 B11R1.25 OC[C@H](O)CO[C@H]1CCOC1 34a_100000717292_100009815848 [0,0,0,1,0,0|3,0,0]=4 6369 B11R1.25 OC[C@H](O)CSC1CCCC1 62a_100009815848_100000179811 [0,0,0,1,0,0|2,0,0]=3 6370 B11R1.25 OC[C@H](O)CSC1CCCC1 62a_100011217020_100009815848 [0,0,0,1,0,0|2,0,0]=3 6371 B11R1.25 OC[C@H](O)CSC1CCOC1 62a_100009815848_100000690089 [0,0,0,1,0,0|3,0,0]=4 6372 B11R1.25 O[C@@H](CF)CNC1CCCC1 2230a_100000211070_100015614560 [0,0,0,1,0,0|2,0,0]=3 6373 B11R1.25 O[C@@H](CF)CNC1CCCC1 34a_100000211070_100015614560 [0,0,0,1,0,0|2,0,0]=3 6374 B11R1.25 O[C@@H](CF)CN[C@@H]1CCOC1 2230a_200015188469_100015614560 [0,0,0,1,0,0|3,0,0]=4 6375 B11R1.25 O[C@@H](CF)CN[C@H]1CCOC1 2230a_100015188467_100015614560 [0,0,0,1,0,0|3,0,0]=4 6376 B11R1.25 O[C@@H](CF)CN[C@H]1CCOC1 34a_100015188467_100015614560 [0,0,0,1,0,0|3,0,0]=4 6377 B11R1.25 O[C@@H](CF)COC1CCCC1 34a_100000210269_100015614560 [0,0,0,1,0,0|2,0,0]=3 6378 B11R1.25 O[C@@H](CF)COC1CCCC1 7a_100000210269_100015614560 [0,0,0,1,0,0|2,0,0]=3 6379 B11R1.25 O[C@@H](CF)COC1CCCO1 34a_100000085407_100015614560 [0,0,0,1,0,0|3,0,0]=4 6380 B11R1.25 O[C@@H](CF)COC1CCSC1 7a_100011232664_100015614560 [0,0,0,1,0,0|3,0,0]=4 6381 B11R1.25 O[C@@H](CF)CO[C@H]1CCOC1 34a_100000717292_100015614560 [0,0,0,1,0,0|3,0,0]=4 6382 B11R1.25 O[C@@H](CF)CSC1CCCC1 62a_100011217020_100015614560 [0,0,0,1,0,0|2,0,0]=3 6383 B11R1.25 O[C@@H](CF)CSC1CCCC1 62a_100015614560_100000179811 [0,0,0,1,0,0|2,0,0]=3 6384 B11R1.25 O[C@@H](CF)CSC1CCOC1 62a_100015614560_100000690089 [0,0,0,1,0,0|3,0,0]=4 6385 B11R1.27 C#CCCCN1CCC(C1)O 2230a_100011215560_100000731252 [0,0,0,1,0,0|1,0,2]=4 6386 B11R1.27 C#CCCCN1CCC(C1)O 269982a_100011215560_100011215417 [0,0,0,1,0,0|1,0,2]=4 6387 B11R1.27 C#CCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000688953 [0,0,0,1,0,0|1,0,2]=4 6388 B11R1.27 C=CCCCN1CCC(C1)O 2230a_100011215560_100011713584 [0,0,0,1,0,0|1,0,2]=4 6389 B11R1.27 C=CCCCN1CCC(C1)O 269982a_100011215560_100000757094 [0,0,0,1,0,0|1,0,2]=4 6390 B11R1.27 C=CCCNC1CCC(C1)O 270004a_100015191253_100012614533 [0,0,0,1,0,0|1,0,2]=4 6391 B11R1.27 C=CCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000754431 [0,0,0,1,0,0|1,0,2]=4 6392 B11R1.27 CC#CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000748600 [0,0,0,1,0,0|1,0,2]=4 6393 B11R1.27 CC/C=C\CN1CCC(C1)O 2230a_100011215560_100103147603 [0,0,0,1,0,0|1,0,2]=4 6394 B11R1.27 CC/C=C\CN1CCC(C1)O 269982a_100011215560_100103147603 [0,0,0,1,0,0|1,0,2]=4 6395 B11R1.27 CC1CCC(C1)NCCCF 270004a_100015189416_100011215218 [0,0,0,1,0,0|3,0,0]=4 6396 B11R1.27 CC1CCC(C1)NCCCO 270004a_100000182051_100011215218 [0,0,0,1,0,0|3,0,0]=4 6397 B11R1.27 CC1CCC(C1)OCCCF 34a_100000698185_100011934791 [0,0,0,1,0,0|3,0,0]=4 6398 B11R1.27 CC1CCC(C1)OCCCO 34a_100000698185_100000230001 [0,0,0,1,0,0|3,0,0]=4 6399 B11R1.27 CC=CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000070051 [0,0,0,1,0,0|1,0,2]=4 6400 B11R1.27 CCC#CCN1CCC(C1)O 2230a_100011215560_100009813939 [0,0,0,1,0,0|1,0,2]=4 6401 B11R1.27 CCCCCN1CCC(C1)O 2230a_100011215560_100000210326 [0,0,0,1,0,0|1,0,0]=2 6402 B11R1.27 CCCCCN1CCC(C1)O 269982a_100011215560_100000210215 [0,0,0,1,0,0|1,0,0]=2 6403 B11R1.27 CCCCCN1CC[C@@H](C1)F 2230a_100015203821_100000210326 [0,0,0,1,0,0|2,0,0]=3 6404 B11R1.27 CCCCCN1CC[C@@H](C1)F 269982a_100015203821_100000210215 [0,0,0,1,0,0|2,0,0]=3 6405 B11R1.27 CCCCCN1CC[C@@H](C1)F 34a_100015203821_100000718602 [0,0,0,1,0,0|2,0,0]=3 6406 B11R1.27 CCCCCN1CC[C@H](C1)C 2230a_100016987628_100000210326 [0,0,0,1,0,0|2,0,0]=3 6407 B11R1.27 CCCCCN1CC[C@H](C1)C 269982a_100016987628_100000210215 [0,0,0,1,0,0|2,0,0]=3 6408 B11R1.27 CCCCCN1CC[C@H](C1)C 34a_100016987628_100000718602 [0,0,0,1,0,0|2,0,0]=3 6409 B11R1.27 CCCCNC1CCC(C1)C 270004a_100000102301_100011215218 [0,0,0,1,0,0|2,0,0]=3 6410 B11R1.27 CCCCNC1CCC(C1)O 270004a_100000102301_100012614533 [0,0,0,1,0,0|1,0,0]=2 6411 B11R1.27 CCCCNC1CCN(C1)C 7a_106832991798_200012183744 [0,0,0,1,0,0|3,0,0]=4 6412 B11R1.27 CCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210211 [0,0,0,1,0,0|1,0,0]=2 6413 B11R1.27 CCCCOC1CCC(=O)C1 34a_100012614533_100000210210 [0,0,0,1,0,0|1,0,2]=4 6414 B11R1.27 CCCCOC1CCC(C1)C 34a_100000698185_100000210210 [0,0,0,1,0,0|2,0,0]=3 6415 B11R1.27 CCCCOC1CCN(C1)C 7a_100000210227_200012183744 [0,0,0,1,0,0|3,0,0]=4 6416 B11R1.27 CCCCSC1CCN(C1)C 62a_100000210211_200012183744 [0,0,0,1,0,0|3,0,0]=4 6417 B11R1.27 CCCNN=C1CCC(C1)O 4a_100000740057_100012614533 [0,0,0,1,0,0|2,0,1]=4 6418 B11R1.27 CCCOCC1CCN(C1)C 2230a_200011652792_200000210301 [0,0,0,1,0,0|3,0,0]=4 6419 B11R1.27 CCCOCC1CCN(C1)C 269982a_200011652792_200000210301 [0,0,0,1,0,0|3,0,0]=4 6420 B11R1.27 CCCOCC1CCN(C1)C 34a_100000210258_200000690779 [0,0,0,1,0,0|3,0,0]=4 6421 B11R1.27 CCCOCC1CCN(C1)C 34a_200011652792_200000210301 [0,0,0,1,0,0|3,0,0]=4 6422 B11R1.27 CCCOCC1CCN(C1)[13CH3] 2230a_200011652792_200025704644 [0,0,0,1,0,0|3,0,0]=4 6423 B11R1.27 CCCOCC1CCN(C1)[13CH3] 269982a_200011652792_200025704644 [0,0,0,1,0,0|3,0,0]=4 6424 B11R1.27 CCCOCC1CCN(C1)[13CH3] 34a_200011652792_200025704644 [0,0,0,1,0,0|3,0,0]=4 6425 B11R1.27 CCCOC[C@@H]1C[C@@H](CN1)F 34a_100015204000_100000210303 [0,0,0,1,0,0|3,0,0]=4 6426 B11R1.27 CCCSCC1CCN(C1)C 62a_100000210303_200000690779 [0,0,0,1,0,0|3,0,0]=4 6427 B11R1.27 CCCSCC1CCN(C1)C 62a_200000690779_100000210303 [0,0,0,1,0,0|3,0,0]=4 6428 B11R1.27 CCOCCN1CCC(C1)O 2230a_100011215560_100011215890 [0,0,0,1,0,0|2,0,0]=3 6429 B11R1.27 CCOCCN1CCC(C1)O 269982a_100011215560_100011215890 [0,0,0,1,0,0|2,0,0]=3 6430 B11R1.27 CCOCCN1CC[C@@H](C1)F 2230a_100015203821_100011215890 [0,0,0,1,0,0|3,0,0]=4 6431 B11R1.27 CCOCCN1CC[C@@H](C1)F 269982a_100015203821_100011215890 [0,0,0,1,0,0|3,0,0]=4 6432 B11R1.27 CCOCCN1CC[C@@H](C1)F 34a_100015203821_100000210147 [0,0,0,1,0,0|3,0,0]=4 6433 B11R1.27 CCOCCN1CC[C@H](C1)C 2230a_100016987628_100011215890 [0,0,0,1,0,0|3,0,0]=4 6434 B11R1.27 CCOCCN1CC[C@H](C1)C 269982a_100016987628_100011215890 [0,0,0,1,0,0|3,0,0]=4 6435 B11R1.27 CCOCCN1CC[C@H](C1)C 34a_100016987628_100000210147 [0,0,0,1,0,0|3,0,0]=4 6436 B11R1.27 CCSCCN1CCC(C1)O 2230a_100011215560_100000757381 [0,0,0,1,0,0|2,0,0]=3 6437 B11R1.27 CCSCCN1CCC(C1)O 269982a_100011215560_100000757381 [0,0,0,1,0,0|2,0,0]=3 6438 B11R1.27 CCSCCN1CC[C@@H](C1)F 2230a_100015203821_100000757381 [0,0,0,1,0,0|3,0,0]=4 6439 B11R1.27 CCSCCN1CC[C@@H](C1)F 269982a_100015203821_100000757381 [0,0,0,1,0,0|3,0,0]=4 6440 B11R1.27 CCSCCN1CC[C@@H](C1)F 34a_100015203821_100000757381 [0,0,0,1,0,0|3,0,0]=4 6441 B11R1.27 CCSCCN1CC[C@H](C1)C 2230a_100016987628_100000757381 [0,0,0,1,0,0|3,0,0]=4 6442 B11R1.27 CCSCCN1CC[C@H](C1)C 269982a_100016987628_100000757381 [0,0,0,1,0,0|3,0,0]=4 6443 B11R1.27 CCSCCN1CC[C@H](C1)C 34a_100016987628_100000757381 [0,0,0,1,0,0|3,0,0]=4 6444 B11R1.27 COCCCN1CCC(C1)O 2230a_100011215560_100000740836 [0,0,0,1,0,0|2,0,0]=3 6445 B11R1.27 COCCCN1CCC(C1)O 269982a_100011215560_100000740836 [0,0,0,1,0,0|2,0,0]=3 6446 B11R1.27 COCCCN1CC[C@@H](C1)F 2230a_100015203821_100000740836 [0,0,0,1,0,0|3,0,0]=4 6447 B11R1.27 COCCCN1CC[C@@H](C1)F 269982a_100015203821_100000740836 [0,0,0,1,0,0|3,0,0]=4 6448 B11R1.27 COCCCN1CC[C@@H](C1)F 34a_100015203821_100000740836 [0,0,0,1,0,0|3,0,0]=4 6449 B11R1.27 COCCCN1CC[C@H](C1)C 2230a_100016987628_100000740836 [0,0,0,1,0,0|3,0,0]=4 6450 B11R1.27 COCCCN1CC[C@H](C1)C 269982a_100016987628_100000740836 [0,0,0,1,0,0|3,0,0]=4 6451 B11R1.27 COCCCN1CC[C@H](C1)C 34a_100016987628_100000740836 [0,0,0,1,0,0|3,0,0]=4 6452 B11R1.27 COCCNC1CCC(C1)C 270004a_100000209980_100011215218 [0,0,0,1,0,0|3,0,0]=4 6453 B11R1.27 COCCNC1CCC(C1)O 270004a_100000209980_100012614533 [0,0,0,1,0,0|2,0,0]=3 6454 B11R1.27 COCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100011201679 [0,0,0,1,0,0|2,0,0]=3 6455 B11R1.27 COCCOC1CCC(C1)C 34a_100000698185_100011201679 [0,0,0,1,0,0|3,0,0]=4 6456 B11R1.27 CSCCNC1CCC(C1)C 270004a_100020590264_100011215218 [0,0,0,1,0,0|3,0,0]=4 6457 B11R1.27 CSCCNC1CCC(C1)O 270004a_100020590264_100012614533 [0,0,0,1,0,0|2,0,0]=3 6458 B11R1.27 CSCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000751147 [0,0,0,1,0,0|2,0,0]=3 6459 B11R1.27 CSCCOC1CCC(C1)C 34a_100000698185_100000212216 [0,0,0,1,0,0|3,0,0]=4 6460 B11R1.27 C[C@@H]1CCN(C1)CCCCF 2230a_100016987628_100000729493 [0,0,0,1,0,0|3,0,0]=4 6461 B11R1.27 C[C@@H]1CCN(C1)CCCCF 269982a_100016987628_100000729493 [0,0,0,1,0,0|3,0,0]=4 6462 B11R1.27 C[C@@H]1CCN(C1)CCCCF 34a_100016987628_100000729493 [0,0,0,1,0,0|3,0,0]=4 6463 B11R1.27 C[C@@H]1CCN(C1)CCCCO 2230a_100016987628_100000210776 [0,0,0,1,0,0|3,0,0]=4 6464 B11R1.27 C[C@@H]1CCN(C1)CCCCO 269982a_100016987628_100000210776 [0,0,0,1,0,0|3,0,0]=4 6465 B11R1.27 C[C@@H]1CCN(C1)CCCCO 34a_100016987628_100011216708 [0,0,0,1,0,0|3,0,0]=4 6466 B11R1.27 FCCCCN1CC[C@@H](C1)F 2230a_100015203821_100000729493 [0,0,0,1,0,0|3,0,0]=4 6467 B11R1.27 FCCCCN1CC[C@@H](C1)F 269982a_100015203821_100000729493 [0,0,0,1,0,0|3,0,0]=4 6468 B11R1.27 FCCCCN1CC[C@@H](C1)F 34a_100015203821_100000729493 [0,0,0,1,0,0|3,0,0]=4 6469 B11R1.27 N#CCCCN1CCC(C1)O 2230a_100011215560_100000687738 [0,0,0,1,0,0|2,0,1]=4 6470 B11R1.27 N#CCCCN1CCC(C1)O 269982a_100011215560_100000687738 [0,0,0,1,0,0|2,0,1]=4 6471 B11R1.27 N#CCCNC1CCC(C1)O 270004a_100000720768_100012614533 [0,0,0,1,0,0|2,0,1]=4 6472 B11R1.27 N#CCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100011215226 [0,0,0,1,0,0|2,0,1]=4 6473 B11R1.27 O=CCCCN1CCC(C1)O 2230a_100011215560_200011292268 [0,0,0,1,0,0|2,0,1]=4 6474 B11R1.27 O=CCCCN1CCC(C1)O 269982a_100011215560_200011292268 [0,0,0,1,0,0|2,0,1]=4 6475 B11R1.27 OC1CCC(C1)NCCCF 270004a_100015189416_100012614533 [0,0,0,1,0,0|2,0,0]=3 6476 B11R1.27 OC1CCN(C1)CCCCF 2230a_100011215560_100000729493 [0,0,0,1,0,0|2,0,0]=3 6477 B11R1.27 OC1CCN(C1)CCCCF 269982a_100011215560_100000729493 [0,0,0,1,0,0|2,0,0]=3 6478 B11R1.27 OCCCCN1CCC(C1)O 2230a_100011215560_100000210776 [0,0,0,1,0,0|2,0,0]=3 6479 B11R1.27 OCCCCN1CCC(C1)O 269982a_100011215560_100000210776 [0,0,0,1,0,0|2,0,0]=3 6480 B11R1.27 OCCCCN1CC[C@@H](C1)F 2230a_100015203821_100000210776 [0,0,0,1,0,0|3,0,0]=4 6481 B11R1.27 OCCCCN1CC[C@@H](C1)F 269982a_100015203821_100000210776 [0,0,0,1,0,0|3,0,0]=4 6482 B11R1.27 OCCCCN1CC[C@@H](C1)F 34a_100015203821_100011216708 [0,0,0,1,0,0|3,0,0]=4 6483 B11R1.27 OCCCNC1CCC(C1)O 270004a_100000182051_100012614533 [0,0,0,1,0,0|2,0,0]=3 6484 B11R1.27 OCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000230001 [0,0,0,1,0,0|2,0,0]=3 6485 B11R1.27 O[C@@H]1CC[C@@H](C1)NCCCF 2230a_100015195300_100011934791 [0,0,0,1,0,0|2,0,0]=3 6486 B11R1.40 CC(CF)OC1CCCCC1 34a_100016041109_100000210327 [0,0,0,1,0,0|3,0,0]=4 6487 B11R1.40 CC(CF)OC1CCCCC1 7a_100016041109_100000210327 [0,0,0,1,0,0|3,0,0]=4 6488 B11R1.40 CC(CN)OC1CCCCC1 34a_100000210904_100000210327 [0,0,0,1,0,0|3,0,0]=4 6489 B11R1.40 CC(CN1CCCCC1)N[13CH3] 2230a_100000738326_200025704644 [0,0,0,1,0,0|3,0,0]=4 6490 B11R1.40 CC(CN1CCCCC1)S[13CH3] 62a_100009831500_200025704644 [0,0,0,1,0,0|3,0,0]=4 6491 B11R1.40 CC(CN1CCCCC1)S[13CH3] 62a_200025704644_100009831500 [0,0,0,1,0,0|3,0,0]=4 6492 B11R1.40 CC(CO)NC1CCCCC1 2230a_100000182618_100012180447 [0,0,0,1,0,0|3,0,0]=4 6493 B11R1.40 CC(CO)NC1CCCCC1 34a_100000182618_100012180447 [0,0,0,1,0,0|3,0,0]=4 6494 B11R1.40 CC(CO)OC1CCCCC1 34a_100000210231_100012180447 [0,0,0,1,0,0|3,0,0]=4 6495 B11R1.40 CC(CO)OC1CCCCC1 7a_100000210231_100012180447 [0,0,0,1,0,0|3,0,0]=4 6496 B11R1.40 CC(CO)SC1CCCCC1 62a_100012180447_100000210327 [0,0,0,1,0,0|3,0,0]=4 6497 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000210414_100000211423 [0,0,0,1,0,0|0,0,2]=3 6498 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000211666_100000210202 [0,0,0,1,0,0|0,0,2]=3 6499 B11R1.40 CCC(=O)CC1CCCCO1 1458a_100000210414_100000211543 [0,0,0,1,0,0|1,0,2]=4 6500 B11R1.40 CCC(=O)CC1CCCCO1 1458a_100000238585_100000210202 [0,0,0,1,0,0|1,0,2]=4 6501 B11R1.40 CCC(=O)CC1CCCOC1 1458a_100000210414_100000741521 [0,0,0,1,0,0|1,0,2]=4 6502 B11R1.40 CCC(=O)CC1CCCOC1 1458a_100000741523_100000210202 [0,0,0,1,0,0|1,0,2]=4 6503 B11R1.40 CCC(=O)CC1CCOCC1 1458a_100000210414_100000754603 [0,0,0,1,0,0|1,0,2]=4 6504 B11R1.40 CCC(=O)CC1CCOCC1 1458a_100000757261_100000210202 [0,0,0,1,0,0|1,0,2]=4 6505 B11R1.40 CCC(=O)CN1CCCCC1 1458a_100000740322_100000210202 [0,0,0,1,0,0|1,0,2]=4 6506 B11R1.40 CCC(=O)NC1CCCCC1 11a_100000182618_100000210414 [0,0,0,1,0,0|1,0,2]=4 6507 B11R1.40 CCC(=O)NC1CCCCC1 1626a_100000182618_100000210414 [0,0,0,1,0,0|1,0,2]=4 6508 B11R1.40 CCC(=O)NC1CCCCC1 240690a_100000182618_100000210414 [0,0,0,1,0,0|1,0,2]=4 6509 B11R1.40 CCC(=O)NC1CCCCC1 527a_100000182618_100000210414 [0,0,0,1,0,0|1,0,2]=4 6510 B11R1.40 CCC(C)CN1CCCOC1 2230a_100000131196_100000748023 [0,0,0,1,0,0|3,0,0]=4 6511 B11R1.40 CCC(C)CN1CCCOC1 269982a_100000131196_100000748023 [0,0,0,1,0,0|3,0,0]=4 6512 B11R1.40 CCC(C)CN1CCCOC1 270004a_100000131196_100000243153 [0,0,0,1,0,0|3,0,0]=4 6513 B11R1.40 CCC(C)CN1CCCOC1 34a_100000131196_100000748023 [0,0,0,1,0,0|3,0,0]=4 6514 B11R1.40 CCC(C)CN1CCOCC1 2230a_100015191051_100000748023 [0,0,0,1,0,0|3,0,0]=4 6515 B11R1.40 CCC(C)CN1CCOCC1 269982a_100015191051_100000748023 [0,0,0,1,0,0|3,0,0]=4 6516 B11R1.40 CCC(C)CN1CCOCC1 270004a_100015191051_100000243153 [0,0,0,1,0,0|3,0,0]=4 6517 B11R1.40 CCC(C)CN1CCOCC1 34a_100015191051_100000748023 [0,0,0,1,0,0|3,0,0]=4 6518 B11R1.40 CCC(C)CN1CCSCC1 2230a_100000737611_100000748023 [0,0,0,1,0,0|3,0,0]=4 6519 B11R1.40 CCC(C)CN1CCSCC1 269982a_100000737611_100000748023 [0,0,0,1,0,0|3,0,0]=4 6520 B11R1.40 CCC(C)CN1CCSCC1 270004a_100000737611_100000243153 [0,0,0,1,0,0|3,0,0]=4 6521 B11R1.40 CCC(C)NC1CCCCC1 2230a_100000182618_100000758301 [0,0,0,1,0,0|2,0,0]=3 6522 B11R1.40 CCC(C)NC1CCCCC1 270004a_100000209981_100000210434 [0,0,0,1,0,0|2,0,0]=3 6523 B11R1.40 CCC(C)NC1CCCCC1 34a_100000182618_100011215416 [0,0,0,1,0,0|2,0,0]=3 6524 B11R1.40 CCC(C)NC1CCCOC1 2230a_100000719290_100000758301 [0,0,0,1,0,0|3,0,0]=4 6525 B11R1.40 CCC(C)NC1CCCOC1 270004a_100000209981_100000753404 [0,0,0,1,0,0|3,0,0]=4 6526 B11R1.40 CCC(C)NC1CCCOC1 34a_100000719290_100011215416 [0,0,0,1,0,0|3,0,0]=4 6527 B11R1.40 CCC(C)NC1CCCSC1 270004a_100000209981_100000057913 [0,0,0,1,0,0|3,0,0]=4 6528 B11R1.40 CCC(C)NC1CCNCC1 270004a_100000209981_100015192401 [0,0,0,1,0,0|3,0,0]=4 6529 B11R1.40 CCC(C)NC1CCOCC1 2230a_100000741149_100000758301 [0,0,0,1,0,0|3,0,0]=4 6530 B11R1.40 CCC(C)NC1CCOCC1 270004a_100000209981_100011217826 [0,0,0,1,0,0|3,0,0]=4 6531 B11R1.40 CCC(C)NC1CCOCC1 34a_100000741149_100011215416 [0,0,0,1,0,0|3,0,0]=4 6532 B11R1.40 CCC(C)NC1CCSCC1 2230a_100000748639_100000758301 [0,0,0,1,0,0|3,0,0]=4 6533 B11R1.40 CCC(C)NC1CCSCC1 270004a_100000209981_100000203788 [0,0,0,1,0,0|3,0,0]=4 6534 B11R1.40 CCC(C)NC1CCSCC1 34a_100000748639_100011215416 [0,0,0,1,0,0|3,0,0]=4 6535 B11R1.40 CCC(C)OC1CCCCC1 34a_100000210231_100011215416 [0,0,0,1,0,0|2,0,0]=3 6536 B11R1.40 CCC(C)OC1CCCCC1 7a_100000210228_100000210327 [0,0,0,1,0,0|2,0,0]=3 6537 B11R1.40 CCC(C)OC1CCCCC1 7a_100000210231_100000758301 [0,0,0,1,0,0|2,0,0]=3 6538 B11R1.40 CCC(C)OC1CCCCO1 34a_100000033831_100011215416 [0,0,0,1,0,0|3,0,0]=4 6539 B11R1.40 CCC(C)OC1CCCOC1 34a_100000754041_100011215416 [0,0,0,1,0,0|3,0,0]=4 6540 B11R1.40 CCC(C)OC1CCCOC1 7a_100000210228_100000693364 [0,0,0,1,0,0|3,0,0]=4 6541 B11R1.40 CCC(C)OC1CCCSC1 7a_100015962668_100000758301 [0,0,0,1,0,0|3,0,0]=4 6542 B11R1.40 CCC(C)OC1CCOCC1 34a_100000744328_100011215416 [0,0,0,1,0,0|3,0,0]=4 6543 B11R1.40 CCC(C)OC1CCOCC1 7a_100000210228_100000686592 [0,0,0,1,0,0|3,0,0]=4 6544 B11R1.40 CCC(C)OC1CCSCC1 34a_100000731022_100011215416 [0,0,0,1,0,0|3,0,0]=4 6545 B11R1.40 CCC(C)OC1CCSCC1 7a_100000210228_100011500858 [0,0,0,1,0,0|3,0,0]=4 6546 B11R1.40 CCC(C)OC1CCSCC1 7a_100000731022_100000758301 [0,0,0,1,0,0|3,0,0]=4 6547 B11R1.40 CCC(C)SC1CCCCC1 62a_100000210327_100000758301 [0,0,0,1,0,0|2,0,0]=3 6548 B11R1.40 CCC(C)SC1CCCCC1 62a_100000758301_100000210327 [0,0,0,1,0,0|2,0,0]=3 6549 B11R1.40 CCC(C)SC1CCCOC1 62a_100000758301_100000693364 [0,0,0,1,0,0|3,0,0]=4 6550 B11R1.40 CCC(C)SC1CCOCC1 62a_100000758301_100011324220 [0,0,0,1,0,0|3,0,0]=4 6551 B11R1.40 CCC(C)SC1CCSCC1 62a_100000758301_100000069128 [0,0,0,1,0,0|3,0,0]=4 6552 B11R1.40 CCC(O)CN1CC=CCC1 2230a_100000698166_100011218378 [0,0,0,1,0,0|1,0,2]=4 6553 B11R1.40 CCC(O)CN1CC=CCC1 269982a_100000698166_100011218378 [0,0,0,1,0,0|1,0,2]=4 6554 B11R1.40 CCC(O)CN1CC=CCC1 34a_100000698166_100011218378 [0,0,0,1,0,0|1,0,2]=4 6555 B11R1.40 CCC(O)CN1CCCOC1 2230a_100000131196_100011218378 [0,0,0,1,0,0|2,0,0]=3 6556 B11R1.40 CCC(O)CN1CCCOC1 269982a_100000131196_100011218378 [0,0,0,1,0,0|2,0,0]=3 6557 B11R1.40 CCC(O)CN1CCCOC1 34a_100000131196_100011218378 [0,0,0,1,0,0|2,0,0]=3 6558 B11R1.40 CCC(O)CN1CCOCC1 2230a_100015191051_100011218378 [0,0,0,1,0,0|2,0,0]=3 6559 B11R1.40 CCC(O)CN1CCOCC1 269982a_100015191051_100011218378 [0,0,0,1,0,0|2,0,0]=3 6560 B11R1.40 CCC(O)CN1CCOCC1 34a_100015191051_100011218378 [0,0,0,1,0,0|2,0,0]=3 6561 B11R1.40 CCC(O)CN1CCSCC1 2230a_100000737611_100011218378 [0,0,0,1,0,0|2,0,0]=3 6562 B11R1.40 CCC(O)CN1CCSCC1 269982a_100000737611_100011218378 [0,0,0,1,0,0|2,0,0]=3 6563 B11R1.40 CCN(C)CC1CCCCC1 2230a_100000225621_100000211423 [0,0,0,1,0,0|2,0,0]=3 6564 B11R1.40 CCN(C)CC1CCCCC1 2230a_100000736448_100000210202 [0,0,0,1,0,0|2,0,0]=3 6565 B11R1.40 CCN(C)CC1CCCCC1 269982a_100000225621_100000211423 [0,0,0,1,0,0|2,0,0]=3 6566 B11R1.40 CCN(C)CC1CCCCC1 269982a_100000736448_100000204670 [0,0,0,1,0,0|2,0,0]=3 6567 B11R1.40 CCN(C)CC1CCCCC1 34a_100000736448_100000210202 [0,0,0,1,0,0|2,0,0]=3 6568 B11R1.40 CCN(C)CC1CCCCO1 2230a_100000225621_100000211543 [0,0,0,1,0,0|3,0,0]=4 6569 B11R1.40 CCN(C)CC1CCCCO1 2230a_100000225654_100000210202 [0,0,0,1,0,0|3,0,0]=4 6570 B11R1.40 CCN(C)CC1CCCCO1 2230a_100015185122_200000210301 [0,0,0,1,0,0|3,0,0]=4 6571 B11R1.40 CCN(C)CC1CCCCO1 269982a_100000225621_100000211543 [0,0,0,1,0,0|3,0,0]=4 6572 B11R1.40 CCN(C)CC1CCCCO1 269982a_100000225654_100000204670 [0,0,0,1,0,0|3,0,0]=4 6573 B11R1.40 CCN(C)CC1CCCCO1 269982a_100015185122_200000210301 [0,0,0,1,0,0|3,0,0]=4 6574 B11R1.40 CCN(C)CC1CCCCO1 34a_100000225654_100000210202 [0,0,0,1,0,0|3,0,0]=4 6575 B11R1.40 CCN(C)CC1CCCCO1 34a_100015185122_200000210301 [0,0,0,1,0,0|3,0,0]=4 6576 B11R1.40 CCN(C)CC1CCCOC1 2230a_100000225621_100000741521 [0,0,0,1,0,0|3,0,0]=4 6577 B11R1.40 CCN(C)CC1CCCOC1 269982a_100000225621_100000741521 [0,0,0,1,0,0|3,0,0]=4 6578 B11R1.40 CCN(C)CC1CCOCC1 2230a_100000225621_100000754603 [0,0,0,1,0,0|3,0,0]=4 6579 B11R1.40 CCN(C)CC1CCOCC1 2230a_100011439692_200000210301 [0,0,0,1,0,0|3,0,0]=4 6580 B11R1.40 CCN(C)CC1CCOCC1 2230a_100025706683_100000210202 [0,0,0,1,0,0|3,0,0]=4 6581 B11R1.40 CCN(C)CC1CCOCC1 269982a_100000225621_100000754603 [0,0,0,1,0,0|3,0,0]=4 6582 B11R1.40 CCN(C)CC1CCOCC1 269982a_100011439692_200000210301 [0,0,0,1,0,0|3,0,0]=4 6583 B11R1.40 CCN(C)CC1CCOCC1 269982a_100025706683_100000204670 [0,0,0,1,0,0|3,0,0]=4 6584 B11R1.40 CCN(C)CC1CCOCC1 34a_100011439692_200000210301 [0,0,0,1,0,0|3,0,0]=4 6585 B11R1.40 CCN(C)CC1CCOCC1 34a_100025706683_100000210202 [0,0,0,1,0,0|3,0,0]=4 6586 B11R1.40 CCN(C)CC1CCSCC1 2230a_100011935259_100000210202 [0,0,0,1,0,0|3,0,0]=4 6587 B11R1.40 CCN(C)CC1CCSCC1 269982a_100011935259_100000204670 [0,0,0,1,0,0|3,0,0]=4 6588 B11R1.40 CCN(C)CC1CCSCC1 34a_100011935259_100000210202 [0,0,0,1,0,0|3,0,0]=4 6589 B11R1.40 CCN([13CH3])CC1CCCCO1 2230a_100015185122_200025704644 [0,0,0,1,0,0|3,0,0]=4 6590 B11R1.40 CCN([13CH3])CC1CCCCO1 269982a_100015185122_200025704644 [0,0,0,1,0,0|3,0,0]=4 6591 B11R1.40 CCN([13CH3])CC1CCCCO1 34a_100015185122_200025704644 [0,0,0,1,0,0|3,0,0]=4 6592 B11R1.40 CCN([13CH3])CC1CCOCC1 2230a_100011439692_200025704644 [0,0,0,1,0,0|3,0,0]=4 6593 B11R1.40 CCN([13CH3])CC1CCOCC1 269982a_100011439692_200025704644 [0,0,0,1,0,0|3,0,0]=4 6594 B11R1.40 CCN([13CH3])CC1CCOCC1 34a_100011439692_200025704644 [0,0,0,1,0,0|3,0,0]=4 6595 B11R1.40 CC[C@H](C)CN1CCCOC1 2230a_100000131196_100009816398 [0,0,0,1,0,0|3,0,0]=4 6596 B11R1.40 CC[C@H](C)CN1CCCOC1 269982a_100000131196_100009816398 [0,0,0,1,0,0|3,0,0]=4 6597 B11R1.40 CC[C@H](C)CN1CCCOC1 34a_100000131196_100009816398 [0,0,0,1,0,0|3,0,0]=4 6598 B11R1.40 CC[C@H](C)CN1CCOCC1 2230a_100015191051_100009816398 [0,0,0,1,0,0|3,0,0]=4 6599 B11R1.40 CC[C@H](C)CN1CCOCC1 269982a_100015191051_100009816398 [0,0,0,1,0,0|3,0,0]=4 6600 B11R1.40 CC[C@H](C)CN1CCOCC1 34a_100015191051_100009816398 [0,0,0,1,0,0|3,0,0]=4 6601 B11R1.40 CC[C@H](C)CN1CCSCC1 2230a_100000737611_100009816398 [0,0,0,1,0,0|3,0,0]=4 6602 B11R1.40 CC[C@H](C)CN1CCSCC1 269982a_100000737611_100009816398 [0,0,0,1,0,0|3,0,0]=4 6603 B11R1.40 CN(CF)CC1CCCCC1 269982a_100000736448_100015361967 [0,0,0,1,0,0|3,0,0]=4 6604 B11R1.40 CN(CF)CC1CCCCC1 34a_100000736448_100015361967 [0,0,0,1,0,0|3,0,0]=4 6605 B11R1.40 CNC(=O)CC1CCCCC1 11a_106832991635_100000211666 [0,0,0,1,0,0|1,0,2]=4 6606 B11R1.40 CNC(=O)CC1CCCCC1 1626a_100102657272_100000211666 [0,0,0,1,0,0|1,0,2]=4 6607 B11R1.40 CNC(=O)CC1CCCCC1 240690a_100102657272_100000211666 [0,0,0,1,0,0|1,0,2]=4 6608 B11R1.40 CNC(=O)CC1CCCCC1 527a_100102657272_100000211666 [0,0,0,1,0,0|1,0,2]=4 6609 B11R1.40 CNC(C)CC1CCCCC1 270004a_106832991635_100011215996 [0,0,0,1,0,0|2,0,0]=3 6610 B11R1.40 CNC(C)CN1CCCCC1 2230a_100000738326_200000210301 [0,0,0,1,0,0|3,0,0]=4 6611 B11R1.40 COC(C)SC1CCCCC1 62a_100000210327_100009879195 [0,0,0,1,0,0|3,0,0]=4 6612 B11R1.40 COC(C)SC1CCCCC1 62a_100009879195_100000210327 [0,0,0,1,0,0|3,0,0]=4 6613 B11R1.40 CSC(C)CN1CCCCC1 62a_100009831500_200000210301 [0,0,0,1,0,0|3,0,0]=4 6614 B11R1.40 CSC(C)CN1CCCCC1 62a_200000210301_100009831500 [0,0,0,1,0,0|3,0,0]=4 6615 B11R1.40 C[C@H](CF)NC1CCCCC1 270004a_100102880703_100000210434 [0,0,0,1,0,0|3,0,0]=4 6616 B11R1.40 C[C@H](CO)NC1CCCCC1 270004a_100000737577_100000210434 [0,0,0,1,0,0|3,0,0]=4 6617 B11R1.40 C[C@H](CO)SC1CCCCC1 62a_100000210327_100016084084 [0,0,0,1,0,0|3,0,0]=4 6618 B11R1.40 C[C@H](CO)SC1CCCCC1 62a_100016084084_100000210327 [0,0,0,1,0,0|3,0,0]=4 6619 B11R1.40 O=C(CF)CC1CCCCC1 1458a_100000211666_100015361967 [0,0,0,1,0,0|1,0,2]=4 6620 B11R1.40 O=C(CO)CC1CCCCC1 1458a_100000210174_100000211423 [0,0,0,1,0,0|1,0,2]=4 6621 B11R1.40 OCC(O)CN1CCCOC1 2230a_100000131196_100011219619 [0,0,0,1,0,0|3,0,0]=4 6622 B11R1.40 OCC(O)CN1CCCOC1 34a_100000131196_100011219619 [0,0,0,1,0,0|3,0,0]=4 6623 B11R1.40 OCC(O)CN1CCOCC1 2230a_100015191051_100011219619 [0,0,0,1,0,0|3,0,0]=4 6624 B11R1.40 OCC(O)CN1CCOCC1 34a_100015191051_100011219619 [0,0,0,1,0,0|3,0,0]=4 6625 B11R1.40 OCC(O)CN1CCSCC1 2230a_100000737611_100011219619 [0,0,0,1,0,0|3,0,0]=4 6626 B11R1.40 OC[C@H](O)CN1CCCOC1 2230a_100000131196_100009815848 [0,0,0,1,0,0|3,0,0]=4 6627 B11R1.40 OC[C@H](O)CN1CCCOC1 34a_100000131196_100009815848 [0,0,0,1,0,0|3,0,0]=4 6628 B11R1.40 OC[C@H](O)CN1CCOCC1 2230a_100015191051_100009815848 [0,0,0,1,0,0|3,0,0]=4 6629 B11R1.40 OC[C@H](O)CN1CCOCC1 34a_100015191051_100009815848 [0,0,0,1,0,0|3,0,0]=4 6630 B11R1.40 OC[C@H](O)CN1CCSCC1 2230a_100000737611_100009815848 [0,0,0,1,0,0|3,0,0]=4 6631 B11R1.40 O[C@@H](CF)CN1CCCOC1 2230a_100000131196_100015614560 [0,0,0,1,0,0|3,0,0]=4 6632 B11R1.40 O[C@@H](CF)CN1CCCOC1 34a_100000131196_100015614560 [0,0,0,1,0,0|3,0,0]=4 6633 B11R1.40 O[C@@H](CF)CN1CCOCC1 2230a_100015191051_100015614560 [0,0,0,1,0,0|3,0,0]=4 6634 B11R1.40 O[C@@H](CF)CN1CCOCC1 34a_100015191051_100015614560 [0,0,0,1,0,0|3,0,0]=4 6635 B11R1.40 O[C@@H](CF)CN1CCSCC1 2230a_100000737611_100015614560 [0,0,0,1,0,0|3,0,0]=4 6636 B11R1.46 CC1CC1COCCCCF 34a_100000744939_100000729493 [0,0,0,1,0,0|3,0,0]=4 6637 B11R1.46 CC1CC1COCCCCF 7a_100000744939_100000729493 [0,0,0,1,0,0|3,0,0]=4 6638 B11R1.46 CC1CC1COCCCCO 34a_100000744939_100011216708 [0,0,0,1,0,0|3,0,0]=4 6639 B11R1.46 CC1CC1COCCCCO 7a_100000744939_100000210776 [0,0,0,1,0,0|3,0,0]=4 6640 B11R1.46 CCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210314 [0,0,0,1,0,0|3,0,0]=4 6641 B11R1.46 CCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210314 [0,0,0,1,0,0|3,0,0]=4 6642 B11R1.46 CCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210314 [0,0,0,1,0,0|3,0,0]=4 6643 B11R1.46 CCCCCOCC1CC1C 34a_100000744939_100000718602 [0,0,0,1,0,0|2,0,0]=3 6644 B11R1.46 CCCCCOCC1CC1C 7a_100000744939_100000210326 [0,0,0,1,0,0|2,0,0]=3 6645 B11R1.46 CCOCCOCC1CC1C 34a_100000744939_100000210147 [0,0,0,1,0,0|3,0,0]=4 6646 B11R1.46 CCOCCOCC1CC1C 7a_100000744939_100011215890 [0,0,0,1,0,0|3,0,0]=4 6647 B11R1.46 CCSCCOCC1CC1C 34a_100000744939_100000757381 [0,0,0,1,0,0|3,0,0]=4 6648 B11R1.46 CCSCCOCC1CC1C 7a_100000744939_100000757381 [0,0,0,1,0,0|3,0,0]=4 6649 B11R1.46 COCCCOCC1CC1C 34a_100000744939_100000740836 [0,0,0,1,0,0|3,0,0]=4 6650 B11R1.46 COCCCOCC1CC1C 7a_100000744939_100000740836 [0,0,0,1,0,0|3,0,0]=4 6651 B11R1.47 BrCCCCCOC1CCC1 34a_100000746331_100000749161 [0,0,0,1,0,0|3,0,0]=4 6652 B11R1.47 BrCCCCOCC1CCC1 34a_100011216708_100000763275 [0,0,0,1,0,0|3,0,0]=4 6653 B11R1.47 BrCCCCOCC1CCO1 34a_100011216708_100000103362 [0,0,0,1,0,0|2,0,0]=3 6654 B11R1.47 C#CCCCNCC1CCO1 34a_100000718082_100000103362 [0,0,0,1,0,0|1,0,2]=4 6655 B11R1.47 C#CCCCNC[C@@H]1CCO1 2230a_100020831831_100000731252 [0,0,0,1,0,0|1,0,2]=4 6656 B11R1.47 C#CCCCNC[C@@H]1CCO1 34a_100020831831_100000695029 [0,0,0,1,0,0|1,0,2]=4 6657 B11R1.47 C#CCCCOCC1CCO1 34a_100000039022_100000695029 [0,0,0,1,0,0|1,0,2]=4 6658 B11R1.47 C#CCCCOCC1CCO1 34a_100000215630_100000103362 [0,0,0,1,0,0|1,0,2]=4 6659 B11R1.47 C#CCCCOCC1CCO1 7a_100000215630_100000103362 [0,0,0,1,0,0|1,0,2]=4 6660 B11R1.47 C#CCCCSCC1CCO1 62a_100000103362_100011215417 [0,0,0,1,0,0|1,0,2]=4 6661 B11R1.47 C#CCCCSCC1CCO1 62a_100011215417_100000103362 [0,0,0,1,0,0|1,0,2]=4 6662 B11R1.47 C/C=C/CCOCC1CCO1 34a_100016278192_100000103362 [0,0,0,1,0,0|1,0,2]=4 6663 B11R1.47 C=CCCCNCC1CCO1 2230a_100000700776_100000103362 [0,0,0,1,0,0|1,0,2]=4 6664 B11R1.47 C=CCCCNCC1CCO1 34a_100000700776_100000103362 [0,0,0,1,0,0|1,0,2]=4 6665 B11R1.47 C=CCCCNC[C@@H]1CCO1 2230a_100020831831_100011713584 [0,0,0,1,0,0|1,0,2]=4 6666 B11R1.47 C=CCCCNC[C@@H]1CCO1 34a_100020831831_100000757094 [0,0,0,1,0,0|1,0,2]=4 6667 B11R1.47 C=CCCCOCC1CCO1 34a_100000039022_100000757094 [0,0,0,1,0,0|1,0,2]=4 6668 B11R1.47 C=CCCCOCC1CCO1 34a_100000758997_100000103362 [0,0,0,1,0,0|1,0,2]=4 6669 B11R1.47 C=CCCCOCC1CCO1 7a_100000758997_100000103362 [0,0,0,1,0,0|1,0,2]=4 6670 B11R1.47 C=CCCCSCC1CCO1 62a_100000103362_100000757094 [0,0,0,1,0,0|1,0,2]=4 6671 B11R1.47 C=CCCCSCC1CCO1 62a_100011713584_100000103362 [0,0,0,1,0,0|1,0,2]=4 6672 B11R1.47 CC#CCCOCC1CCO1 34a_100000750427_100000103362 [0,0,0,1,0,0|1,0,2]=4 6673 B11R1.47 CC/C=C\CNC[C@@H]1CCO1 2230a_100020831831_100103147603 [0,0,0,1,0,0|1,0,2]=4 6674 B11R1.47 CC/C=C\CNC[C@@H]1CCO1 34a_100020831831_100103147603 [0,0,0,1,0,0|1,0,2]=4 6675 B11R1.47 CC/C=C\COCC1CCO1 34a_100000039022_100103147603 [0,0,0,1,0,0|1,0,2]=4 6676 B11R1.47 CC/C=C\COCC1CCO1 34a_100016268518_100000103362 [0,0,0,1,0,0|1,0,2]=4 6677 B11R1.47 CC/C=C\CSCC1CCO1 62a_100000103362_100103147603 [0,0,0,1,0,0|1,0,2]=4 6678 B11R1.47 CC/C=C\CSCC1CCO1 62a_100103147603_100000103362 [0,0,0,1,0,0|1,0,2]=4 6679 B11R1.47 CCC#CCNC[C@@H]1CCO1 2230a_100020831831_100009813939 [0,0,0,1,0,0|1,0,2]=4 6680 B11R1.47 CCC#CCNC[C@@H]1CCO1 34a_100020831831_100009813939 [0,0,0,1,0,0|1,0,2]=4 6681 B11R1.47 CCC#CCOCC1CCO1 34a_100000032950_100000103362 [0,0,0,1,0,0|1,0,2]=4 6682 B11R1.47 CCC#CCOCC1CCO1 34a_100000039022_100009813939 [0,0,0,1,0,0|1,0,2]=4 6683 B11R1.47 CCC#CCSCC1CCO1 62a_100000103362_100009813939 [0,0,0,1,0,0|1,0,2]=4 6684 B11R1.47 CCC#CCSCC1CCO1 62a_100009813939_100000103362 [0,0,0,1,0,0|1,0,2]=4 6685 B11R1.47 CCCCCCCN1CCC1 269982a_100000754969_100000210681 [0,0,0,1,0,0|2,0,0]=3 6686 B11R1.47 CCCCCCNC1CCC1 2230a_100000749019_100000210314 [0,0,0,1,0,0|2,0,0]=3 6687 B11R1.47 CCCCCCNC1CCC1 270004a_100000210581_100000241760 [0,0,0,1,0,0|2,0,0]=3 6688 B11R1.47 CCCCCCNC1CCC1 34a_100000749019_100000210314 [0,0,0,1,0,0|2,0,0]=3 6689 B11R1.47 CCCCCCNC1COC1 2230a_100016991112_100000210314 [0,0,0,1,0,0|3,0,0]=4 6690 B11R1.47 CCCCCCOC1CCC1 34a_100000210259_100000749161 [0,0,0,1,0,0|2,0,0]=3 6691 B11R1.47 CCCCCCOC1CCC1 34a_100000748187_100000210314 [0,0,0,1,0,0|2,0,0]=3 6692 B11R1.47 CCCCCCOC1COC1 34a_100000210259_100009818527 [0,0,0,1,0,0|3,0,0]=4 6693 B11R1.47 CCCCCCOC1COC1 7a_100000210259_100009818527 [0,0,0,1,0,0|3,0,0]=4 6694 B11R1.47 CCCCCCOC1CSC1 7a_100000072292_100000210314 [0,0,0,1,0,0|3,0,0]=4 6695 B11R1.47 CCCCCCSC1CCC1 62a_100000210314_100000749161 [0,0,0,1,0,0|2,0,0]=3 6696 B11R1.47 CCCCCCSC1COC1 62a_100000210314_100009818527 [0,0,0,1,0,0|3,0,0]=4 6697 B11R1.47 CCCCCNCC1CCC1 2230a_100000209983_100000763275 [0,0,0,1,0,0|2,0,0]=3 6698 B11R1.47 CCCCCNCC1CCC1 2230a_100000738700_100000210326 [0,0,0,1,0,0|2,0,0]=3 6699 B11R1.47 CCCCCNCC1CCC1 269862a_100000209983_100000753134 [0,0,0,1,0,0|2,0,0]=3 6700 B11R1.47 CCCCCNCC1CCC1 34a_100000738700_100000718602 [0,0,0,1,0,0|2,0,0]=3 6701 B11R1.47 CCCCCNCC1CCO1 2230a_100000209983_100000103362 [0,0,0,1,0,0|1,0,0]=2 6702 B11R1.47 CCCCCNCC1COC1 2230a_100000209983_100010264016 [0,0,0,1,0,0|3,0,0]=4 6703 B11R1.47 CCCCCNCC1COC1 2230a_100015281925_100000210326 [0,0,0,1,0,0|3,0,0]=4 6704 B11R1.47 CCCCCNCC1COC1 34a_100015281925_100000718602 [0,0,0,1,0,0|3,0,0]=4 6705 B11R1.47 CCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210326 [0,0,0,1,0,0|1,0,0]=2 6706 B11R1.47 CCCCCNC[C@@H]1CCO1 34a_100020831831_100000718602 [0,0,0,1,0,0|1,0,0]=2 6707 B11R1.47 CCCCCOCC1CCC1 34a_100000210253_100000763275 [0,0,0,1,0,0|2,0,0]=3 6708 B11R1.47 CCCCCOCC1CCC1 34a_100000760304_100000718602 [0,0,0,1,0,0|2,0,0]=3 6709 B11R1.47 CCCCCOCC1CCC1 7a_100000210253_100000763275 [0,0,0,1,0,0|2,0,0]=3 6710 B11R1.47 CCCCCOCC1CCO1 34a_100000039022_100000718602 [0,0,0,1,0,0|1,0,0]=2 6711 B11R1.47 CCCCCOCC1CCO1 34a_100000210253_100000103362 [0,0,0,1,0,0|1,0,0]=2 6712 B11R1.47 CCCCCOCC1CCO1 7a_100000210253_100000103362 [0,0,0,1,0,0|1,0,0]=2 6713 B11R1.47 CCCCCOCC1CNC1 34a_100016987283_100000718602 [0,0,0,1,0,0|3,0,0]=4 6714 B11R1.47 CCCCCOCC1COC1 34a_100000060846_100000718602 [0,0,0,1,0,0|3,0,0]=4 6715 B11R1.47 CCCCCOCC1COC1 34a_100000210253_100010264016 [0,0,0,1,0,0|3,0,0]=4 6716 B11R1.47 CCCCCOCC1COC1 7a_100000210253_100010264016 [0,0,0,1,0,0|3,0,0]=4 6717 B11R1.47 CCCCCSCC1CCC1 62a_100000210326_100000763275 [0,0,0,1,0,0|2,0,0]=3 6718 B11R1.47 CCCCCSCC1CCC1 62a_100000763275_100000210326 [0,0,0,1,0,0|2,0,0]=3 6719 B11R1.47 CCCCCSCC1CCO1 62a_100000103362_100000210326 [0,0,0,1,0,0|1,0,0]=2 6720 B11R1.47 CCCCCSCC1CCO1 62a_100000210326_100000103362 [0,0,0,1,0,0|1,0,0]=2 6721 B11R1.47 CCCCCSCC1COC1 62a_100000210326_100010264016 [0,0,0,1,0,0|3,0,0]=4 6722 B11R1.47 CCCCCSCC1COC1 62a_100010264016_100000210326 [0,0,0,1,0,0|3,0,0]=4 6723 B11R1.47 CCCCOCCC1COC1 34a_100009855314_100000210210 [0,0,0,1,0,0|3,0,0]=4 6724 B11R1.47 CCCCOCCN1CCC1 269982a_100000754969_100000743108 [0,0,0,1,0,0|3,0,0]=4 6725 B11R1.47 CCCCOCNC1CCC1 2230a_100000749019_100011995733 [0,0,0,1,0,0|3,0,0]=4 6726 B11R1.47 CCCCOCNC1CCC1 34a_100000749019_100011995733 [0,0,0,1,0,0|3,0,0]=4 6727 B11R1.47 CCCCOCOC1CCC1 34a_100000748187_100011995733 [0,0,0,1,0,0|3,0,0]=4 6728 B11R1.47 CCCCOCSC1CCC1 62a_100011995733_100000749161 [0,0,0,1,0,0|3,0,0]=4 6729 B11R1.47 CCCOCCNC1CCC1 2230a_100000749019_100011215938 [0,0,0,1,0,0|3,0,0]=4 6730 B11R1.47 CCCOCCNC1CCC1 270004a_100161115042_100000241760 [0,0,0,1,0,0|3,0,0]=4 6731 B11R1.47 CCCOCCNC1CCC1 34a_100000749019_100011215938 [0,0,0,1,0,0|3,0,0]=4 6732 B11R1.47 CCCOCCNC1CCC1 34a_100161115042_100000749161 [0,0,0,1,0,0|3,0,0]=4 6733 B11R1.47 CCCOCCOC1CCC1 34a_100000748187_100011215938 [0,0,0,1,0,0|3,0,0]=4 6734 B11R1.47 CCCOCCOC1CCC1 34a_100000752267_100000749161 [0,0,0,1,0,0|3,0,0]=4 6735 B11R1.47 CCCOCCSC1CCC1 62a_100011215938_100000749161 [0,0,0,1,0,0|3,0,0]=4 6736 B11R1.47 CCCSCCNC1CCC1 270004a_100020603323_100000241760 [0,0,0,1,0,0|3,0,0]=4 6737 B11R1.47 CCCSCCOC1CCC1 34a_200000230433_100000749161 [0,0,0,1,0,0|3,0,0]=4 6738 B11R1.47 CCOCCCNC1CCC1 2230a_100000749019_100012232248 [0,0,0,1,0,0|3,0,0]=4 6739 B11R1.47 CCOCCCNC1CCC1 270004a_100000210961_100000241760 [0,0,0,1,0,0|3,0,0]=4 6740 B11R1.47 CCOCCCNC1CCC1 34a_100000210961_100000749161 [0,0,0,1,0,0|3,0,0]=4 6741 B11R1.47 CCOCCCNC1CCC1 34a_100000749019_100012232248 [0,0,0,1,0,0|3,0,0]=4 6742 B11R1.47 CCOCCCOC1CCC1 34a_100000748187_100012232248 [0,0,0,1,0,0|3,0,0]=4 6743 B11R1.47 CCOCCCOC1CCC1 34a_100000757476_100000749161 [0,0,0,1,0,0|3,0,0]=4 6744 B11R1.47 CCOCCCSC1CCC1 62a_100012232248_100000749161 [0,0,0,1,0,0|3,0,0]=4 6745 B11R1.47 CCOCCNCC1CCC1 2230a_100000738700_100011215890 [0,0,0,1,0,0|3,0,0]=4 6746 B11R1.47 CCOCCNCC1CCC1 2230a_102516460346_100000763275 [0,0,0,1,0,0|3,0,0]=4 6747 B11R1.47 CCOCCNCC1CCC1 269862a_100011200944_100000753134 [0,0,0,1,0,0|3,0,0]=4 6748 B11R1.47 CCOCCNCC1CCC1 34a_100000738700_100000210147 [0,0,0,1,0,0|3,0,0]=4 6749 B11R1.47 CCOCCNCC1CCC1 34a_102516460346_100000763275 [0,0,0,1,0,0|3,0,0]=4 6750 B11R1.47 CCOCCNCC1CCO1 2230a_102516460346_100000103362 [0,0,0,1,0,0|2,0,0]=3 6751 B11R1.47 CCOCCNCC1CCO1 34a_102516460346_100000103362 [0,0,0,1,0,0|2,0,0]=3 6752 B11R1.47 CCOCCNC[C@@H]1CCO1 2230a_100020831831_100011215890 [0,0,0,1,0,0|2,0,0]=3 6753 B11R1.47 CCOCCNC[C@@H]1CCO1 34a_100020831831_100000210147 [0,0,0,1,0,0|2,0,0]=3 6754 B11R1.47 CCOCCOCC1CCC1 34a_100000210136_100000763275 [0,0,0,1,0,0|3,0,0]=4 6755 B11R1.47 CCOCCOCC1CCC1 34a_100000760304_100000210147 [0,0,0,1,0,0|3,0,0]=4 6756 B11R1.47 CCOCCOCC1CCC1 7a_100000210136_100000763275 [0,0,0,1,0,0|3,0,0]=4 6757 B11R1.47 CCOCCOCC1CCO1 34a_100000039022_100000210147 [0,0,0,1,0,0|2,0,0]=3 6758 B11R1.47 CCOCCOCC1CCO1 34a_100000210136_100000103362 [0,0,0,1,0,0|2,0,0]=3 6759 B11R1.47 CCOCCOCC1CCO1 7a_100000210136_100000103362 [0,0,0,1,0,0|2,0,0]=3 6760 B11R1.47 CCOCCSCC1CCC1 62a_100000210147_100000763275 [0,0,0,1,0,0|3,0,0]=4 6761 B11R1.47 CCOCCSCC1CCC1 62a_100000763275_100011215890 [0,0,0,1,0,0|3,0,0]=4 6762 B11R1.47 CCOCCSCC1CCO1 62a_100000103362_100011215890 [0,0,0,1,0,0|2,0,0]=3 6763 B11R1.47 CCOCCSCC1CCO1 62a_100000210147_100000103362 [0,0,0,1,0,0|2,0,0]=3 6764 B11R1.47 CCSCCCOC1CCC1 34a_100011216438_100000749161 [0,0,0,1,0,0|3,0,0]=4 6765 B11R1.47 CCSCCNCC1CCC1 2230a_100000106463_100000763275 [0,0,0,1,0,0|3,0,0]=4 6766 B11R1.47 CCSCCNCC1CCC1 2230a_100000738700_100000757381 [0,0,0,1,0,0|3,0,0]=4 6767 B11R1.47 CCSCCNCC1CCC1 269862a_100000106463_100000753134 [0,0,0,1,0,0|3,0,0]=4 6768 B11R1.47 CCSCCNCC1CCC1 34a_100000738700_100000757381 [0,0,0,1,0,0|3,0,0]=4 6769 B11R1.47 CCSCCNCC1CCO1 2230a_100000106463_100000103362 [0,0,0,1,0,0|2,0,0]=3 6770 B11R1.47 CCSCCNC[C@@H]1CCO1 2230a_100020831831_100000757381 [0,0,0,1,0,0|2,0,0]=3 6771 B11R1.47 CCSCCNC[C@@H]1CCO1 34a_100020831831_100000757381 [0,0,0,1,0,0|2,0,0]=3 6772 B11R1.47 CCSCCOCC1CCC1 34a_100000212035_100000763275 [0,0,0,1,0,0|3,0,0]=4 6773 B11R1.47 CCSCCOCC1CCC1 34a_100000760304_100000757381 [0,0,0,1,0,0|3,0,0]=4 6774 B11R1.47 CCSCCOCC1CCC1 7a_100000212035_100000763275 [0,0,0,1,0,0|3,0,0]=4 6775 B11R1.47 CCSCCOCC1CCO1 34a_100000039022_100000757381 [0,0,0,1,0,0|2,0,0]=3 6776 B11R1.47 CCSCCOCC1CCO1 34a_100000212035_100000103362 [0,0,0,1,0,0|2,0,0]=3 6777 B11R1.47 CCSCCOCC1CCO1 7a_100000212035_100000103362 [0,0,0,1,0,0|2,0,0]=3 6778 B11R1.47 CCSCCSCC1CCC1 62a_100000757381_100000763275 [0,0,0,1,0,0|3,0,0]=4 6779 B11R1.47 CCSCCSCC1CCC1 62a_100000763275_100000757381 [0,0,0,1,0,0|3,0,0]=4 6780 B11R1.47 CCSCCSCC1CCO1 62a_100000103362_100000757381 [0,0,0,1,0,0|2,0,0]=3 6781 B11R1.47 CCSCCSCC1CCO1 62a_100000757381_100000103362 [0,0,0,1,0,0|2,0,0]=3 6782 B11R1.47 CNCCCOCC1CCC1 34a_100000213112_100000763275 [0,0,0,1,0,0|3,0,0]=4 6783 B11R1.47 CNCCCOCC1CCO1 34a_100000213112_100000103362 [0,0,0,1,0,0|2,0,0]=3 6784 B11R1.47 COCCCCNC1CCC1 2230a_100000749019_100000730899 [0,0,0,1,0,0|3,0,0]=4 6785 B11R1.47 COCCCCNC1CCC1 34a_100000749019_100000755781 [0,0,0,1,0,0|3,0,0]=4 6786 B11R1.47 COCCCCOC1CCC1 34a_100000740925_100000749161 [0,0,0,1,0,0|3,0,0]=4 6787 B11R1.47 COCCCCOC1CCC1 34a_100000748187_100000755781 [0,0,0,1,0,0|3,0,0]=4 6788 B11R1.47 COCCCCSC1CCC1 62a_100000730899_100000749161 [0,0,0,1,0,0|3,0,0]=4 6789 B11R1.47 COCCCNCC1CCC1 2230a_100000738700_100000740836 [0,0,0,1,0,0|3,0,0]=4 6790 B11R1.47 COCCCNCC1CCC1 269862a_100150723488_100000753134 [0,0,0,1,0,0|3,0,0]=4 6791 B11R1.47 COCCCNCC1CCC1 34a_100000738700_100000740836 [0,0,0,1,0,0|3,0,0]=4 6792 B11R1.47 COCCCNCC1CCC1 34a_100150723488_100000763275 [0,0,0,1,0,0|3,0,0]=4 6793 B11R1.47 COCCCNCC1CCO1 34a_100150723488_100000103362 [0,0,0,1,0,0|2,0,0]=3 6794 B11R1.47 COCCCNC[C@@H]1CCO1 2230a_100020831831_100000740836 [0,0,0,1,0,0|2,0,0]=3 6795 B11R1.47 COCCCNC[C@@H]1CCO1 34a_100020831831_100000740836 [0,0,0,1,0,0|2,0,0]=3 6796 B11R1.47 COCCCOCC1CCC1 34a_100000740835_100000763275 [0,0,0,1,0,0|3,0,0]=4 6797 B11R1.47 COCCCOCC1CCC1 34a_100000760304_100000740836 [0,0,0,1,0,0|3,0,0]=4 6798 B11R1.47 COCCCOCC1CCO1 34a_100000039022_100000740836 [0,0,0,1,0,0|2,0,0]=3 6799 B11R1.47 COCCCOCC1CCO1 34a_100000740835_100000103362 [0,0,0,1,0,0|2,0,0]=3 6800 B11R1.47 COCCCSCC1CCC1 62a_100000709357_100000763275 [0,0,0,1,0,0|3,0,0]=4 6801 B11R1.47 COCCCSCC1CCC1 62a_100000763275_100000709357 [0,0,0,1,0,0|3,0,0]=4 6802 B11R1.47 COCCCSCC1CCO1 62a_100000103362_100000709357 [0,0,0,1,0,0|2,0,0]=3 6803 B11R1.47 COCCCSCC1CCO1 62a_100000709357_100000103362 [0,0,0,1,0,0|2,0,0]=3 6804 B11R1.47 CSCCCCOC1CCC1 34a_100011217163_100000749161 [0,0,0,1,0,0|3,0,0]=4 6805 B11R1.47 CSCCCNCC1CCC1 2230a_100000749238_100000763275 [0,0,0,1,0,0|3,0,0]=4 6806 B11R1.47 CSCCCNCC1CCC1 269862a_100000749238_100000753134 [0,0,0,1,0,0|3,0,0]=4 6807 B11R1.47 CSCCCNCC1CCO1 2230a_100000749238_100000103362 [0,0,0,1,0,0|2,0,0]=3 6808 B11R1.47 CSCCCOCC1CCC1 34a_100000690336_100000763275 [0,0,0,1,0,0|3,0,0]=4 6809 B11R1.47 CSCCCOCC1CCC1 7a_100000690336_100000763275 [0,0,0,1,0,0|3,0,0]=4 6810 B11R1.47 CSCCCOCC1CCO1 34a_100000690336_100000103362 [0,0,0,1,0,0|2,0,0]=3 6811 B11R1.47 CSCCCOCC1CCO1 7a_100000690336_100000103362 [0,0,0,1,0,0|2,0,0]=3 6812 B11R1.47 ClCCCCCOC1CCC1 34a_100000746330_100000749161 [0,0,0,1,0,0|3,0,0]=4 6813 B11R1.47 ClCCCCOCC1CCC1 34a_100000210776_100000763275 [0,0,0,1,0,0|3,0,0]=4 6814 B11R1.47 ClCCCCOCC1CCC1 7a_100000210776_100000763275 [0,0,0,1,0,0|3,0,0]=4 6815 B11R1.47 ClCCCCOCC1CCO1 34a_100000210776_100000103362 [0,0,0,1,0,0|2,0,0]=3 6816 B11R1.47 ClCCCCOCC1CCO1 7a_100000210776_100000103362 [0,0,0,1,0,0|2,0,0]=3 6817 B11R1.47 FCCCCCCN1CCC1 269982a_100000754969_100015922095 [0,0,0,1,0,0|3,0,0]=4 6818 B11R1.47 FCCCCCNC1CCC1 2230a_100000749019_100000729378 [0,0,0,1,0,0|3,0,0]=4 6819 B11R1.47 FCCCCCNC1CCC1 34a_100000749019_100000729378 [0,0,0,1,0,0|3,0,0]=4 6820 B11R1.47 FCCCCCOC1CCC1 34a_100000748187_100000729378 [0,0,0,1,0,0|3,0,0]=4 6821 B11R1.47 FCCCCCSC1CCC1 62a_100000729378_100000749161 [0,0,0,1,0,0|3,0,0]=4 6822 B11R1.47 FCCCCNCC1CCC1 2230a_100000738700_100000729493 [0,0,0,1,0,0|3,0,0]=4 6823 B11R1.47 FCCCCNCC1CCC1 34a_100000738700_100000729493 [0,0,0,1,0,0|3,0,0]=4 6824 B11R1.47 FCCCCNC[C@@H]1CCO1 2230a_100020831831_100000729493 [0,0,0,1,0,0|2,0,0]=3 6825 B11R1.47 FCCCCNC[C@@H]1CCO1 34a_100020831831_100000729493 [0,0,0,1,0,0|2,0,0]=3 6826 B11R1.47 FCCCCOCC1CCC1 34a_100000760304_100000729493 [0,0,0,1,0,0|3,0,0]=4 6827 B11R1.47 FCCCCOCC1CCC1 34a_100011995726_100000763275 [0,0,0,1,0,0|3,0,0]=4 6828 B11R1.47 FCCCCOCC1CCC1 7a_100011995726_100000763275 [0,0,0,1,0,0|3,0,0]=4 6829 B11R1.47 FCCCCOCC1CCO1 34a_100000039022_100000729493 [0,0,0,1,0,0|2,0,0]=3 6830 B11R1.47 FCCCCOCC1CCO1 34a_100011995726_100000103362 [0,0,0,1,0,0|2,0,0]=3 6831 B11R1.47 FCCCCOCC1CCO1 7a_100011995726_100000103362 [0,0,0,1,0,0|2,0,0]=3 6832 B11R1.47 FCCCCSCC1CCC1 62a_100000729493_100000763275 [0,0,0,1,0,0|3,0,0]=4 6833 B11R1.47 FCCCCSCC1CCC1 62a_100000763275_100000729493 [0,0,0,1,0,0|3,0,0]=4 6834 B11R1.47 FCCCCSCC1CCO1 62a_100000103362_100000729493 [0,0,0,1,0,0|2,0,0]=3 6835 B11R1.47 FCCCCSCC1CCO1 62a_100000729493_100000103362 [0,0,0,1,0,0|2,0,0]=3 6836 B11R1.47 ICCCCCOC1CCC1 34a_200012148887_100000749161 [0,0,0,1,0,0|3,0,0]=4 6837 B11R1.47 ICCCCOCC1CCC1 34a_200012148704_100000763275 [0,0,0,1,0,0|3,0,0]=4 6838 B11R1.47 ICCCCOCC1CCO1 34a_200012148704_100000103362 [0,0,0,1,0,0|2,0,0]=3 6839 B11R1.47 N#CCCCNC[C@@H]1CCO1 2230a_100020831831_100000687738 [0,0,0,1,0,0|2,0,1]=4 6840 B11R1.47 N#CCCCSCC1CCO1 62a_100000103362_100000687738 [0,0,0,1,0,0|2,0,1]=4 6841 B11R1.47 N#CCCCSCC1CCO1 62a_100000687738_100000103362 [0,0,0,1,0,0|2,0,1]=4 6842 B11R1.47 NCCCCCOC1CCC1 34a_100000762737_100000749161 [0,0,0,1,0,0|3,0,0]=4 6843 B11R1.47 NCCCCOCC1CCC1 34a_100000750430_100000763275 [0,0,0,1,0,0|3,0,0]=4 6844 B11R1.47 NCCCCOCC1CCO1 34a_100000750430_100000103362 [0,0,0,1,0,0|2,0,0]=3 6845 B11R1.47 O=CCCCNC[C@@H]1CCO1 2230a_100020831831_200011292268 [0,0,0,1,0,0|2,0,1]=4 6846 B11R1.47 O=CCCCSCC1CCO1 62a_100000103362_200011292268 [0,0,0,1,0,0|2,0,1]=4 6847 B11R1.47 O=CCCCSCC1CCO1 62a_200011292268_100000103362 [0,0,0,1,0,0|2,0,1]=4 6848 B11R1.47 OCCCCCCN1CCC1 269982a_100000754969_100000766143 [0,0,0,1,0,0|3,0,0]=4 6849 B11R1.47 OCCCCCNC1CCC1 2230a_100000749019_100000746330 [0,0,0,1,0,0|3,0,0]=4 6850 B11R1.47 OCCCCCNC1CCC1 270004a_100000762737_100000241760 [0,0,0,1,0,0|3,0,0]=4 6851 B11R1.47 OCCCCCNC1CCC1 34a_100000749019_100000746330 [0,0,0,1,0,0|3,0,0]=4 6852 B11R1.47 OCCCCCNC1CCC1 34a_100000762737_100000749161 [0,0,0,1,0,0|3,0,0]=4 6853 B11R1.47 OCCCCCOC1CCC1 34a_100000748187_100000746330 [0,0,0,1,0,0|3,0,0]=4 6854 B11R1.47 OCCCCCSC1CCC1 62a_100000746330_100000749161 [0,0,0,1,0,0|3,0,0]=4 6855 B11R1.47 OCCCCNCC1CCC1 2230a_100000738700_100000210776 [0,0,0,1,0,0|3,0,0]=4 6856 B11R1.47 OCCCCNCC1CCC1 2230a_100000750430_100000763275 [0,0,0,1,0,0|3,0,0]=4 6857 B11R1.47 OCCCCNCC1CCC1 269862a_100000750430_100000753134 [0,0,0,1,0,0|3,0,0]=4 6858 B11R1.47 OCCCCNCC1CCC1 34a_100000738700_100011216708 [0,0,0,1,0,0|3,0,0]=4 6859 B11R1.47 OCCCCNCC1CCC1 34a_100000750430_100000763275 [0,0,0,1,0,0|3,0,0]=4 6860 B11R1.47 OCCCCNCC1CCO1 2230a_100000750430_100000103362 [0,0,0,1,0,0|2,0,0]=3 6861 B11R1.47 OCCCCNCC1CCO1 34a_100000750430_100000103362 [0,0,0,1,0,0|2,0,0]=3 6862 B11R1.47 OCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210776 [0,0,0,1,0,0|2,0,0]=3 6863 B11R1.47 OCCCCNC[C@@H]1CCO1 34a_100020831831_100011216708 [0,0,0,1,0,0|2,0,0]=3 6864 B11R1.47 OCCCCOCC1CCC1 34a_100000760304_100011216708 [0,0,0,1,0,0|3,0,0]=4 6865 B11R1.47 OCCCCOCC1CCO1 34a_100000039022_100011216708 [0,0,0,1,0,0|2,0,0]=3 6866 B11R1.47 OCCCCSCC1CCC1 62a_100000210776_100000763275 [0,0,0,1,0,0|3,0,0]=4 6867 B11R1.47 OCCCCSCC1CCC1 62a_100000763275_100000210776 [0,0,0,1,0,0|3,0,0]=4 6868 B11R1.47 OCCCCSCC1CCO1 62a_100000103362_100000210776 [0,0,0,1,0,0|2,0,0]=3 6869 B11R1.47 OCCCCSCC1CCO1 62a_100000210776_100000103362 [0,0,0,1,0,0|2,0,0]=3 6870 B11R1.59 CCC(=O)C1CCCN1CC 1458a_106256033941_100000210202 [0,0,0,1,0,0|1,0,2]=4 6871 B11R1.59 CCC(=O)N1CCCC1CC 11a_100000754278_100000210414 [0,0,0,1,0,0|1,0,2]=4 6872 B11R1.59 CCC(=O)N1CCCC1CC 1626a_100000754278_100000210414 [0,0,0,1,0,0|1,0,2]=4 6873 B11R1.59 CCC(=O)N1CCCC1CC 240690a_100000754278_100000210414 [0,0,0,1,0,0|1,0,2]=4 6874 B11R1.59 CCC(=O)N1CCCC1CC 527a_100000754278_100000210414 [0,0,0,1,0,0|1,0,2]=4 6875 B11R1.59 CCC(C)N1CCCC1CC 2230a_100000754278_100000758301 [0,0,0,1,0,0|2,0,0]=3 6876 B11R1.59 CCC(C)N1CCCC1CC 269982a_100000754278_100000758301 [0,0,0,1,0,0|2,0,0]=3 6877 B11R1.59 CCC(C)N1CCCC1CC 34a_100000754278_100011215416 [0,0,0,1,0,0|2,0,0]=3 6878 B11R1.59 CCC(C)N1CCC[C@@H]1CO 2230a_100000745186_100000758301 [0,0,0,1,0,0|3,0,0]=4 6879 B11R1.59 CCC(C)N1CCC[C@@H]1CO 269982a_100000745186_100000758301 [0,0,0,1,0,0|3,0,0]=4 6880 B11R1.59 CCC(C)N1CCC[C@@H]1CO 34a_100000745186_100011215416 [0,0,0,1,0,0|3,0,0]=4 6881 B11R1.59 CCC1CCCN1C(C)CO 2230a_100000754278_100012180447 [0,0,0,1,0,0|3,0,0]=4 6882 B11R1.59 CCC1CCCN1C(C)CO 34a_100000754278_100012180447 [0,0,0,1,0,0|3,0,0]=4 6883 B11R1.59 CCC1CCCN1C(C)OC 269982a_100000754278_100009879195 [0,0,0,1,0,0|3,0,0]=4 6884 B11R1.59 CCC1CCCN1[C@H](C)CO 269982a_100000754278_100016084084 [0,0,0,1,0,0|3,0,0]=4 6885 B11R1.115 CCC(C)N1CCC1COC 2230a_100015195929_100000758301 [0,0,0,1,0,0|3,0,0]=4 6886 B11R1.115 CCC(C)N1CCC1COC 269982a_100015195929_100000758301 [0,0,0,1,0,0|3,0,0]=4 6887 B11R1.115 CCC(C)N1CCC1COC 34a_100015195929_100011215416 [0,0,0,1,0,0|3,0,0]=4 6888 B11R1.135 C#CCN1CCCC(CC1)O 2230a_100015186869_100000038162 [0,0,0,1,0,0|1,0,2]=4 6889 B11R1.135 C=CCN1CCCC(CC1)O 2230a_100015186869_100000210623 [0,0,0,1,0,0|1,0,2]=4 6890 B11R1.135 C=CCN1CCCC(CC1)O 269982a_100015186869_100000210623 [0,0,0,1,0,0|1,0,2]=4 6891 B11R1.135 CC1CCCN(CC1)CCF 2230a_100025706717_100011217306 [0,0,0,1,0,0|3,0,0]=4 6892 B11R1.135 CC1CCCN(CC1)CCF 269982a_100025706717_100011217306 [0,0,0,1,0,0|3,0,0]=4 6893 B11R1.135 CC1CCCN(CC1)CCF 34a_100025706717_100011217306 [0,0,0,1,0,0|3,0,0]=4 6894 B11R1.135 CC1CCCN(CC1)CCO 2230a_100025706717_100000211926 [0,0,0,1,0,0|3,0,0]=4 6895 B11R1.135 CC1CCCN(CC1)CCO 269982a_100025706717_100000211926 [0,0,0,1,0,0|3,0,0]=4 6896 B11R1.135 CC1CCCN(CC1)CCO 34a_100025706717_100000211926 [0,0,0,1,0,0|3,0,0]=4 6897 B11R1.135 CCCN1CCCC(CC1)C 2230a_100025706717_100000210303 [0,0,0,1,0,0|2,0,0]=3 6898 B11R1.135 CCCN1CCCC(CC1)C 269982a_100025706717_100000210303 [0,0,0,1,0,0|2,0,0]=3 6899 B11R1.135 CCCN1CCCC(CC1)C 34a_100025706717_100000210303 [0,0,0,1,0,0|2,0,0]=3 6900 B11R1.135 CCCN1CCCC(CC1)O 2230a_100015186869_100000210303 [0,0,0,1,0,0|1,0,0]=2 6901 B11R1.135 CCCN1CCCC(CC1)O 269982a_100015186869_100000210303 [0,0,0,1,0,0|1,0,0]=2 6902 B11R1.135 CCCN1CCCN(CC1)C 2230a_100000211313_100000210303 [0,0,0,1,0,0|3,0,0]=4 6903 B11R1.135 CCCN1CCCN(CC1)C 2230a_100000748530_200000210301 [0,0,0,1,0,0|3,0,0]=4 6904 B11R1.135 CCCN1CCCN(CC1)C 269982a_100000211313_100000210303 [0,0,0,1,0,0|3,0,0]=4 6905 B11R1.135 CCCN1CCCN(CC1)C 269982a_100000748530_200000210301 [0,0,0,1,0,0|3,0,0]=4 6906 B11R1.135 CCCN1CCCN(CC1)[13CH3] 2230a_100000748530_200025704644 [0,0,0,1,0,0|3,0,0]=4 6907 B11R1.135 CCCN1CCCN(CC1)[13CH3] 269982a_100000748530_200025704644 [0,0,0,1,0,0|3,0,0]=4 6908 B11R1.135 COCN1CCCC(CC1)C 2230a_100025706717_100000766300 [0,0,0,1,0,0|3,0,0]=4 6909 B11R1.135 COCN1CCCC(CC1)C 269982a_100025706717_100000766300 [0,0,0,1,0,0|3,0,0]=4 6910 B11R1.135 COCN1CCCC(CC1)O 2230a_100015186869_100000766300 [0,0,0,1,0,0|2,0,0]=3 6911 B11R1.135 COCN1CCCC(CC1)O 269982a_100015186869_100000766300 [0,0,0,1,0,0|2,0,0]=3 6912 B11R1.135 CSCN1CCCC(CC1)C 2230a_100025706717_100011218213 [0,0,0,1,0,0|3,0,0]=4 6913 B11R1.135 CSCN1CCCC(CC1)C 269982a_100025706717_100011218213 [0,0,0,1,0,0|3,0,0]=4 6914 B11R1.135 CSCN1CCCC(CC1)C 34a_100025706717_100011218213 [0,0,0,1,0,0|3,0,0]=4 6915 B11R1.135 CSCN1CCCC(CC1)O 2230a_100015186869_100011218213 [0,0,0,1,0,0|2,0,0]=3 6916 B11R1.135 CSCN1CCCC(CC1)O 269982a_100015186869_100011218213 [0,0,0,1,0,0|2,0,0]=3 6917 B11R1.135 N#CCN1CCCC(CC1)O 2230a_100015186869_100011215382 [0,0,0,1,0,0|2,0,1]=4 6918 B11R1.135 N#CCN1CCCC(CC1)O 269982a_100015186869_100011214920 [0,0,0,1,0,0|2,0,1]=4 6919 B11R1.135 O=CCN1CCCC(CC1)O 2230a_100015186869_200015260668 [0,0,0,1,0,0|2,0,1]=4 6920 B11R1.135 O=CCN1CCCC(CC1)O 269982a_100015186869_200015260668 [0,0,0,1,0,0|2,0,1]=4 6921 B11R1.135 OC1CCCN(CC1)CCF 2230a_100015186869_100011217306 [0,0,0,1,0,0|2,0,0]=3 6922 B11R1.135 OC1CCCN(CC1)CCF 269982a_100015186869_100011217306 [0,0,0,1,0,0|2,0,0]=3 6923 B11R1.135 OCCN1CCCC(CC1)O 2230a_100015186869_100000211926 [0,0,0,1,0,0|2,0,0]=3 6924 B11R1.135 OCCN1CCCC(CC1)O 269982a_100015186869_100000211926 [0,0,0,1,0,0|2,0,0]=3 6925 B11R1.189 CCC1CCCC(C1)OCF 7a_100011985506_100015361967 [0,0,0,1,0,0|3,0,0]=4 6926 B11R1.189 CCCC1CC(CCN1)NC 270004a_106832991635_100016991347 [0,0,0,1,0,0|3,0,0]=4 6927 B11R1.189 CCCN1CCCC(C1)CF 2230a_100016992999_100000210303 [0,0,0,1,0,0|3,0,0]=4 6928 B11R1.189 CCCN1CCCC(C1)CF 269982a_100016992999_100000210303 [0,0,0,1,0,0|3,0,0]=4 6929 B11R1.189 CCCN1CCCC(C1)CF 34a_100016992999_100000210303 [0,0,0,1,0,0|3,0,0]=4 6930 B11R1.189 CCCN1CCCC(C1)CO 2230a_100000211344_100000210303 [0,0,0,1,0,0|3,0,0]=4 6931 B11R1.189 CCCN1CCCC(C1)CO 269982a_100000211344_100000210303 [0,0,0,1,0,0|3,0,0]=4 6932 B11R1.189 CCCN1CCCC(C1)CO 34a_100000211344_100000210303 [0,0,0,1,0,0|3,0,0]=4 6933 B11R1.189 CCCN1CCCC(C1)NC 2230a_100011435248_200000210301 [0,0,0,1,0,0|3,0,0]=4 6934 B11R1.189 CCCN1CCCC(C1)N[13CH3] 2230a_100011435248_200025704644 [0,0,0,1,0,0|3,0,0]=4 6935 B11R1.189 CCCN1CCCC(C1)OC 2230a_100000695604_100000210303 [0,0,0,1,0,0|3,0,0]=4 6936 B11R1.189 CCCN1CCCC(C1)OC 269982a_100000695604_100000210303 [0,0,0,1,0,0|3,0,0]=4 6937 B11R1.189 CCCN1CCCC(C1)OC 34a_100000695604_100000210303 [0,0,0,1,0,0|3,0,0]=4 6938 B11R1.189 CCCN1CCOC(C1)CC 2230a_100000736320_100000210303 [0,0,0,1,0,0|3,0,0]=4 6939 B11R1.189 CCCN1CCOC(C1)CC 269982a_100000736320_100000210303 [0,0,0,1,0,0|3,0,0]=4 6940 B11R1.189 CCCN1CCOC(C1)CC 34a_100000736320_100000210303 [0,0,0,1,0,0|3,0,0]=4 6941 B11R1.189 CCN1CCCC(C1)CCO 2230a_100000752241_100000210202 [0,0,0,1,0,0|3,0,0]=4 6942 B11R1.189 CCN1CCCC(C1)CCO 269982a_100000752241_100000204670 [0,0,0,1,0,0|3,0,0]=4 6943 B11R1.189 CCN1CCCC(C1)CCO 34a_100000752241_100000210202 [0,0,0,1,0,0|3,0,0]=4 6944 B11R1.189 CCN1CCCC(C1)CNC 2230a_100000747413_200000210301 [0,0,0,1,0,0|3,0,0]=4 6945 B11R1.189 CCN1CCCC(C1)CN[13CH3] 2230a_100000747413_200025704644 [0,0,0,1,0,0|3,0,0]=4 6946 B11R1.189 CCN1CCCC(C1)COC 2230a_100000755410_100000210202 [0,0,0,1,0,0|3,0,0]=4 6947 B11R1.189 CCN1CCCC(C1)COC 269982a_100000755410_100000204670 [0,0,0,1,0,0|3,0,0]=4 6948 B11R1.189 CCN1CCCC(C1)COC 34a_100000755410_100000210202 [0,0,0,1,0,0|3,0,0]=4 6949 B11R1.189 CCN1CCCC(C1)COC 7a_200000227639_200000210301 [0,0,0,1,0,0|3,0,0]=4 6950 B11R1.189 CCN1CCCC(C1)CO[13CH3] 7a_200000227639_200025704644 [0,0,0,1,0,0|3,0,0]=4 6951 B11R1.189 CCNC1CCCC(C1)CC 270004a_100015525214_100000756783 [0,0,0,1,0,0|2,0,0]=3 6952 B11R1.189 CCNC1CCCC(C1)SC 270004a_100015525214_100012138059 [0,0,0,1,0,0|3,0,0]=4 6953 B11R1.189 CCN[C@@H]1CCCN(C1)CC 2230a_100025775482_100000210202 [0,0,0,1,0,0|3,0,0]=4 6954 B11R1.189 CCOC1CCCC(C1)CC 7a_100011985506_100000210202 [0,0,0,1,0,0|2,0,0]=3 6955 B11R1.189 CCOC1CCCC(C1)CN 34a_100011254705_100000210202 [0,0,0,1,0,0|3,0,0]=4 6956 B11R1.189 CCOC1CCCN(C1)CC 2230a_100000745229_100000210202 [0,0,0,1,0,0|3,0,0]=4 6957 B11R1.189 CCOC1CCCN(C1)CC 269982a_100000745229_100000204670 [0,0,0,1,0,0|3,0,0]=4 6958 B11R1.189 CCOC1CCCN(C1)CC 34a_100000745229_100000210202 [0,0,0,1,0,0|3,0,0]=4 6959 B11R1.190 CC1CCN1CCCCCF 269982a_100000755817_100000729378 [0,0,0,1,0,0|3,0,0]=4 6960 B11R1.190 CC1CCN1CCCCCF 34a_100000755817_100000729378 [0,0,0,1,0,0|3,0,0]=4 6961 B11R1.190 CC1CCN1CCCCCO 269982a_100000755817_100000746330 [0,0,0,1,0,0|3,0,0]=4 6962 B11R1.190 CC1CCN1CCCCCO 34a_100000755817_100000746330 [0,0,0,1,0,0|3,0,0]=4 6963 B11R1.190 CCCCCCN1CCC1C 269982a_100000755817_100000210757 [0,0,0,1,0,0|2,0,0]=3 6964 B11R1.190 CCCCCCN1CCC1C 34a_100000755817_100000210314 [0,0,0,1,0,0|2,0,0]=3 6965 B11R1.190 CCCCCOC1CCC1=O 34a_100000210253_100009892977 [0,0,0,1,0,0|1,0,2]=4 6966 B11R1.190 CCCCCOC1CCC1=O 7a_100000210253_100009892977 [0,0,0,1,0,0|1,0,2]=4 6967 B11R1.190 CCCCCSC1CCC1=O 62a_100000210326_100009892977 [0,0,0,1,0,0|1,0,2]=4 6968 B11R1.190 CCCCCSC1CCC1=O 62a_100009892977_100000210326 [0,0,0,1,0,0|1,0,2]=4 6969 B11R1.190 CCCCOCN1CCC1C 269982a_100000755817_100011995733 [0,0,0,1,0,0|3,0,0]=4 6970 B11R1.190 CCCCOCN1CCC1C 34a_100000755817_100011995733 [0,0,0,1,0,0|3,0,0]=4 6971 B11R1.190 CCCOCCN1CCC1C 269982a_100000755817_100011215938 [0,0,0,1,0,0|3,0,0]=4 6972 B11R1.190 CCCOCCN1CCC1C 34a_100000755817_100011215938 [0,0,0,1,0,0|3,0,0]=4 6973 B11R1.190 CCCSCCC1CCC1=O 62a_100000210303_200016118888 [0,0,0,1,0,0|1,0,2]=4 6974 B11R1.190 CCCSCCC1CCC1=O 62a_200016118888_100000210303 [0,0,0,1,0,0|1,0,2]=4 6975 B11R1.190 CCOCCCN1CCC1C 269982a_100000755817_100012232248 [0,0,0,1,0,0|3,0,0]=4 6976 B11R1.190 CCOCCCN1CCC1C 34a_100000755817_100012232248 [0,0,0,1,0,0|3,0,0]=4 6977 B11R1.190 COCCCCN1CCC1C 269982a_100000755817_100000730899 [0,0,0,1,0,0|3,0,0]=4 6978 B11R1.190 COCCCCN1CCC1C 34a_100000755817_100000755781 [0,0,0,1,0,0|3,0,0]=4 6979 B11R1.194 CCCN1CCC[C@@]1(C)CO 2230a_100016195882_100000210303 [0,0,0,1,0,0|3,0,0]=4 6980 B11R1.194 CCCN1CCC[C@@]1(C)CO 269982a_100016195882_100000210303 [0,0,0,1,0,0|3,0,0]=4 6981 B11R1.194 CCCN1CCC[C@@]1(C)CO 34a_100016195882_100000210303 [0,0,0,1,0,0|3,0,0]=4 6982 B11R1.214 CCC1CCC(C1)NCCO 270004a_100000210304_100011218773 [0,0,0,1,0,0|3,0,0]=4 6983 B11R1.214 CCCCN1CCC(C1)CO 2230a_100000748654_100000210211 [0,0,0,1,0,0|3,0,0]=4 6984 B11R1.214 CCCCN1CCC(C1)CO 269982a_100000748654_100000210211 [0,0,0,1,0,0|3,0,0]=4 6985 B11R1.214 CCCCN1CCC(C1)CO 34a_100000748654_100000210210 [0,0,0,1,0,0|3,0,0]=4 6986 B11R1.214 CCCCN1CC[C@H](C1)OC 2230a_100000766984_100000210211 [0,0,0,1,0,0|3,0,0]=4 6987 B11R1.214 CCCCN1CC[C@H](C1)OC 269982a_100000766984_100000210211 [0,0,0,1,0,0|3,0,0]=4 6988 B11R1.214 CCCNC1CCC(C1)CC 270004a_100020643023_100011218773 [0,0,0,1,0,0|2,0,0]=3 6989 B11R1.214 CCCNC1CCN(C1)CC 2230a_100015188829_100000210303 [0,0,0,1,0,0|3,0,0]=4 6990 B11R1.214 CCCSC1CCN(C1)CC 62a_100000210303_200011861547 [0,0,0,1,0,0|3,0,0]=4 6991 B11R1.214 CCNCC1CCN(C1)CC 2230a_100011224064_100000210202 [0,0,0,1,0,0|3,0,0]=4 6992 B11R1.214 CCNCC1CCN(C1)CC 2230a_100015525214_100015184589 [0,0,0,1,0,0|3,0,0]=4 6993 B11R1.214 CCNC[C@@H]1CC[C@@H](C1)CO 34a_206354213956_100000210202 [0,0,0,1,0,0|3,0,0]=4 6994 B11R1.214 CCOC[C@H]1CC[C@H](C1)CN 34a_206354213956_100000210202 [0,0,0,1,0,0|3,0,0]=4 6995 B11R1.214 CCSCC1CCN(C1)CC 62a_100000210202_100015184589 [0,0,0,1,0,0|3,0,0]=4 6996 B11R1.214 CCSCC1CCN(C1)CC 62a_100015184589_100000210202 [0,0,0,1,0,0|3,0,0]=4 6997 B11R1.222 CC(CO)N1CCCCC1C 2230a_100000211376_100012180447 [0,0,0,1,0,0|3,0,0]=4 6998 B11R1.222 CC(CO)N1CCCCC1C 34a_100000211376_100012180447 [0,0,0,1,0,0|3,0,0]=4 6999 B11R1.222 CC1CCCCC1C(=O)CF 1458a_100011215568_100015361967 [0,0,0,1,0,0|1,0,2]=4 7000 B11R1.222 CC1CCCCN1[C@H](C)CO 269982a_100000211376_100016084084 [0,0,0,1,0,0|3,0,0]=4 7001 B11R1.222 CCC(=O)C1CCCCC1C 1458a_100011215568_100000210202 [0,0,0,1,0,0|0,0,2]=3 7002 B11R1.222 CCC(=O)C1CCCCC1O 1458a_100011803323_100000210202 [0,0,0,1,0,0|1,0,2]=4 7003 B11R1.222 CCC(=O)N1CCCCC1C 11a_100000211376_100000210414 [0,0,0,1,0,0|1,0,2]=4 7004 B11R1.222 CCC(=O)N1CCCCC1C 1626a_100000211376_100000210414 [0,0,0,1,0,0|1,0,2]=4 7005 B11R1.222 CCC(=O)N1CCCCC1C 240690a_100000211376_100000210414 [0,0,0,1,0,0|1,0,2]=4 7006 B11R1.222 CCC(=O)N1CCCCC1C 527a_100000211376_100000210414 [0,0,0,1,0,0|1,0,2]=4 7007 B11R1.222 CCC(=O)[C@H]1CCCCN1C 1458a_100000767060_100000210202 [0,0,0,1,0,0|1,0,2]=4 7008 B11R1.222 CCC(C)N1CCCCC1C 2230a_100000211376_100000758301 [0,0,0,1,0,0|2,0,0]=3 7009 B11R1.222 CCC(C)N1CCCCC1C 269982a_100000211376_100000758301 [0,0,0,1,0,0|2,0,0]=3 7010 B11R1.222 CCC(C)N1CCCCC1C 34a_100000211376_100011215416 [0,0,0,1,0,0|2,0,0]=3 7011 B11R1.222 CCC(C)N1CCOC[C@@H]1C 2230a_100009815349_100000758301 [0,0,0,1,0,0|3,0,0]=4 7012 B11R1.222 CCC(C)N1CCOC[C@@H]1C 269982a_100009815349_100000758301 [0,0,0,1,0,0|3,0,0]=4 7013 B11R1.222 CCC(C)N1CCOC[C@@H]1C 34a_100009815349_100011215416 [0,0,0,1,0,0|3,0,0]=4 7014 B11R1.222 CCN(C)C1CCCCC1F 269982a_100000225621_100015423560 [0,0,0,1,0,0|3,0,0]=4 7015 B11R1.222 CCN(C)C1CCCCC1O 269982a_100000225621_100000038908 [0,0,0,1,0,0|3,0,0]=4 7016 B11R1.222 CCN(C)[C@@H]1CCCC[C@H]1O 269982a_100000708425_100000204670 [0,0,0,1,0,0|3,0,0]=4 7017 B11R1.222 CNC(=O)C1CCCCC1C 11a_106832991635_100011215568 [0,0,0,1,0,0|1,0,2]=4 7018 B11R1.222 CNC(=O)C1CCCCC1C 1626a_100102657272_100011215568 [0,0,0,1,0,0|1,0,2]=4 7019 B11R1.222 CNC(=O)C1CCCCC1C 240690a_100102657272_100011215568 [0,0,0,1,0,0|1,0,2]=4 7020 B11R1.222 CNC(=O)C1CCCCC1C 527a_100102657272_100011215568 [0,0,0,1,0,0|1,0,2]=4 7021 B11R1.222 COC(C)N1CCCCC1C 269982a_100000211376_100009879195 [0,0,0,1,0,0|3,0,0]=4 7022 B11R1.223 CCC(O)CSC1CCC1=O 62a_100009892977_100011218378 [0,0,0,1,0,0|2,0,1]=4 7023 B11R1.223 CCC(O)CSC1CCC1=O 62a_100011218378_100009892977 [0,0,0,1,0,0|2,0,1]=4 7024 B11R1.228 C=CC(O)CN1CCC[C@@H]1C 2230a_100020605311_100000730141 [0,0,0,1,0,0|1,0,2]=4 7025 B11R1.228 C=CC(O)CN1CCC[C@H]1C 2230a_100015189458_100000730141 [0,0,0,1,0,0|1,0,2]=4 7026 B11R1.228 C=CC(O)CN1CCC[C@H]1C 34a_100015189458_100000730141 [0,0,0,1,0,0|1,0,2]=4 7027 B11R1.228 CC(CO)OC1CCCC1C 34a_100011216460_100012180447 [0,0,0,1,0,0|3,0,0]=4 7028 B11R1.228 CC(CO)OC1CCCC1C 7a_100011216460_100012180447 [0,0,0,1,0,0|3,0,0]=4 7029 B11R1.228 CC1CCCC1N[C@H](C)CF 269862a_100102880703_100000752053 [0,0,0,1,0,0|3,0,0]=4 7030 B11R1.228 CC1CCCC1N[C@H](C)CO 269862a_100000737577_100000752053 [0,0,0,1,0,0|3,0,0]=4 7031 B11R1.228 CC1SCCN1CC(O)CO 2230a_200011216479_100011219619 [0,0,0,1,0,0|3,0,0]=4 7032 B11R1.228 CC1SCCN1CC(O)CO 34a_200011216479_100011219619 [0,0,0,1,0,0|3,0,0]=4 7033 B11R1.228 CC1SCCN1C[C@@H](O)CF 2230a_200011216479_100015614560 [0,0,0,1,0,0|3,0,0]=4 7034 B11R1.228 CC1SCCN1C[C@@H](O)CF 34a_200011216479_100015614560 [0,0,0,1,0,0|3,0,0]=4 7035 B11R1.228 CC1SCCN1C[C@@H](O)CO 2230a_200011216479_100009815848 [0,0,0,1,0,0|3,0,0]=4 7036 B11R1.228 CC1SCCN1C[C@@H](O)CO 34a_200011216479_100009815848 [0,0,0,1,0,0|3,0,0]=4 7037 B11R1.228 CCC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000747405 [0,0,0,1,0,0|1,0,2]=4 7038 B11R1.228 CCC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000747405 [0,0,0,1,0,0|1,0,2]=4 7039 B11R1.228 CCC(C)CN1CCC[C@@H]1C 2230a_100020605311_100000748023 [0,0,0,1,0,0|2,0,0]=3 7040 B11R1.228 CCC(C)CN1CCC[C@@H]1C 269982a_100020605311_100000748023 [0,0,0,1,0,0|2,0,0]=3 7041 B11R1.228 CCC(C)CN1CCC[C@@H]1C 270004a_100020605311_100000243153 [0,0,0,1,0,0|2,0,0]=3 7042 B11R1.228 CCC(C)CN1CCC[C@H]1C 2230a_100015189458_100000748023 [0,0,0,1,0,0|2,0,0]=3 7043 B11R1.228 CCC(C)CN1CCC[C@H]1C 269982a_100015189458_100000748023 [0,0,0,1,0,0|2,0,0]=3 7044 B11R1.228 CCC(C)CN1CCC[C@H]1C 270004a_100015189458_100000243153 [0,0,0,1,0,0|2,0,0]=3 7045 B11R1.228 CCC(C)CN1CCC[C@H]1C 34a_100015189458_100000748023 [0,0,0,1,0,0|2,0,0]=3 7046 B11R1.228 CCC(C)CN1CCSC1C 2230a_200011216479_100000748023 [0,0,0,1,0,0|3,0,0]=4 7047 B11R1.228 CCC(C)CN1CCSC1C 269982a_200011216479_100000748023 [0,0,0,1,0,0|3,0,0]=4 7048 B11R1.228 CCC(C)CN1CCSC1C 270004a_200011216479_100000243153 [0,0,0,1,0,0|3,0,0]=4 7049 B11R1.228 CCC(C)CN1CCSC1C 34a_200011216479_100000748023 [0,0,0,1,0,0|3,0,0]=4 7050 B11R1.228 CCC(C)NC1CCCC1C 269862a_100000209981_100000752053 [0,0,0,1,0,0|2,0,0]=3 7051 B11R1.228 CCC(C)NC1CCOC1C 270004a_100000209981_100000691750 [0,0,0,1,0,0|3,0,0]=4 7052 B11R1.228 CCC(C)OC1CCCC1C 34a_100011216460_100011215416 [0,0,0,1,0,0|2,0,0]=3 7053 B11R1.228 CCC(C)OC1CCCC1C 7a_100011216460_100000758301 [0,0,0,1,0,0|2,0,0]=3 7054 B11R1.228 CCC(C)O[C@@H]1CCC[C@H]1Cl 34a_200016002552_100011215416 [0,0,0,1,0,0|3,0,0]=4 7055 B11R1.228 CCC(C)O[C@H]1CCC[C@@H]1N 34a_100000748460_100011215416 [0,0,0,1,0,0|3,0,0]=4 7056 B11R1.228 CCC(C)O[C@H]1CNC[C@H]1C 34a_200015306588_100011215416 [0,0,0,1,0,0|3,0,0]=4 7057 B11R1.228 CCC(C)S[C@@H]1CCC[C@H]1O 62a_100000758301_200016002552 [0,0,0,1,0,0|3,0,0]=4 7058 B11R1.228 CCC(C)S[C@@H]1CCC[C@H]1O 62a_200016002552_100000758301 [0,0,0,1,0,0|3,0,0]=4 7059 B11R1.228 CCC(O)CN1CCC[C@@H]1C 2230a_100020605311_100011218378 [0,0,0,1,0,0|1,0,0]=2 7060 B11R1.228 CCC(O)CN1CCC[C@@H]1C 269982a_100020605311_100011218378 [0,0,0,1,0,0|1,0,0]=2 7061 B11R1.228 CCC(O)CN1CCC[C@H]1C 2230a_100015189458_100011218378 [0,0,0,1,0,0|1,0,0]=2 7062 B11R1.228 CCC(O)CN1CCC[C@H]1C 269982a_100015189458_100011218378 [0,0,0,1,0,0|1,0,0]=2 7063 B11R1.228 CCC(O)CN1CCC[C@H]1C 34a_100015189458_100011218378 [0,0,0,1,0,0|1,0,0]=2 7064 B11R1.228 CCC(O)CN1CCSC1C 2230a_200011216479_100011218378 [0,0,0,1,0,0|2,0,0]=3 7065 B11R1.228 CCC(O)CN1CCSC1C 269982a_200011216479_100011218378 [0,0,0,1,0,0|2,0,0]=3 7066 B11R1.228 CCC(O)CN1CCSC1C 34a_200011216479_100011218378 [0,0,0,1,0,0|2,0,0]=3 7067 B11R1.228 CC[C@H](C)CN1CCC[C@@H]1C 2230a_100020605311_100009816398 [0,0,0,1,0,0|2,0,0]=3 7068 B11R1.228 CC[C@H](C)CN1CCC[C@@H]1C 269982a_100020605311_100009816398 [0,0,0,1,0,0|2,0,0]=3 7069 B11R1.228 CC[C@H](C)CN1CCC[C@H]1C 2230a_100015189458_100009816398 [0,0,0,1,0,0|2,0,0]=3 7070 B11R1.228 CC[C@H](C)CN1CCC[C@H]1C 269982a_100015189458_100009816398 [0,0,0,1,0,0|2,0,0]=3 7071 B11R1.228 CC[C@H](C)CN1CCC[C@H]1C 34a_100015189458_100009816398 [0,0,0,1,0,0|2,0,0]=3 7072 B11R1.228 CC[C@H](C)CN1CCSC1C 2230a_200011216479_100009816398 [0,0,0,1,0,0|3,0,0]=4 7073 B11R1.228 CC[C@H](C)CN1CCSC1C 269982a_200011216479_100009816398 [0,0,0,1,0,0|3,0,0]=4 7074 B11R1.228 CC[C@H](C)CN1CCSC1C 34a_200011216479_100009816398 [0,0,0,1,0,0|3,0,0]=4 7075 B11R1.228 C[C@@H](CO)CN1CCC[C@@H]1C 2230a_100020605311_100000059175 [0,0,0,1,0,0|3,0,0]=4 7076 B11R1.228 C[C@@H](CO)CN1CCC[C@@H]1C 269982a_100020605311_100000059175 [0,0,0,1,0,0|3,0,0]=4 7077 B11R1.228 C[C@@H](CO)CN1CCC[C@H]1C 2230a_100015189458_100000059175 [0,0,0,1,0,0|3,0,0]=4 7078 B11R1.228 C[C@@H](CO)CN1CCC[C@H]1C 269982a_100015189458_100000059175 [0,0,0,1,0,0|3,0,0]=4 7079 B11R1.228 C[C@@H](CO)CN1CCC[C@H]1C 34a_100015189458_100000059175 [0,0,0,1,0,0|3,0,0]=4 7080 B11R1.228 C[C@@H]1CCCN1CC(O)CO 2230a_100015189458_100011219619 [0,0,0,1,0,0|2,0,0]=3 7081 B11R1.228 C[C@@H]1CCCN1CC(O)CO 34a_100015189458_100011219619 [0,0,0,1,0,0|2,0,0]=3 7082 B11R1.228 C[C@@H]1CCCN1C[C@@H](O)CF 2230a_100015189458_100015614560 [0,0,0,1,0,0|2,0,0]=3 7083 B11R1.228 C[C@@H]1CCCN1C[C@@H](O)CF 34a_100015189458_100015614560 [0,0,0,1,0,0|2,0,0]=3 7084 B11R1.228 C[C@@H]1CCCN1C[C@@H](O)CO 2230a_100015189458_100009815848 [0,0,0,1,0,0|2,0,0]=3 7085 B11R1.228 C[C@@H]1CCCN1C[C@@H](O)CO 34a_100015189458_100009815848 [0,0,0,1,0,0|2,0,0]=3 7086 B11R1.228 C[C@H]1CCCN1CC(O)CO 2230a_100020605311_100011219619 [0,0,0,1,0,0|2,0,0]=3 7087 B11R1.228 C[C@H]1CCCN1C[C@@H](O)CF 2230a_100020605311_100015614560 [0,0,0,1,0,0|2,0,0]=3 7088 B11R1.228 C[C@H]1CCCN1C[C@@H](O)CO 2230a_100020605311_100009815848 [0,0,0,1,0,0|2,0,0]=3 7089 B11R1.235 C=CC(O)COCC1CC1C 34a_100000744939_100000730141 [0,0,0,1,0,0|1,0,2]=4 7090 B11R1.235 C=CC(O)COCC1CC1C 7a_100000744939_100000730141 [0,0,0,1,0,0|1,0,2]=4 7091 B11R1.235 CC1CC1COCC(O)CO 34a_100000744939_100011219619 [0,0,0,1,0,0|2,0,0]=3 7092 B11R1.235 CC1CC1COCC(O)CO 7a_100000744939_100011219619 [0,0,0,1,0,0|2,0,0]=3 7093 B11R1.235 CC1CC1COC[C@@H](C)CO 34a_100000744939_100000059175 [0,0,0,1,0,0|3,0,0]=4 7094 B11R1.235 CC1CC1COC[C@@H](C)CO 7a_100000744939_100000059175 [0,0,0,1,0,0|3,0,0]=4 7095 B11R1.235 CC1CC1COC[C@@H](O)CF 34a_100000744939_100015614560 [0,0,0,1,0,0|2,0,0]=3 7096 B11R1.235 CC1CC1COC[C@@H](O)CF 7a_100000744939_100015614560 [0,0,0,1,0,0|2,0,0]=3 7097 B11R1.235 CC1CC1COC[C@@H](O)CO 34a_100000744939_100009815848 [0,0,0,1,0,0|2,0,0]=3 7098 B11R1.235 CC1CC1COC[C@@H](O)CO 7a_100000744939_100009815848 [0,0,0,1,0,0|2,0,0]=3 7099 B11R1.235 CCC(=O)COCC1CC1C 7a_100000744939_100000747405 [0,0,0,1,0,0|1,0,2]=4 7100 B11R1.235 CCC(C)COCC1CC1C 34a_100000744939_100000748023 [0,0,0,1,0,0|2,0,0]=3 7101 B11R1.235 CCC(C)COCC1CC1C 7a_100000744939_100000748023 [0,0,0,1,0,0|2,0,0]=3 7102 B11R1.235 CCC(O)COCC1CC1C 34a_100000744939_100011218378 [0,0,0,1,0,0|1,0,0]=2 7103 B11R1.235 CCC(O)COCC1CC1C 7a_100000744939_100011218378 [0,0,0,1,0,0|1,0,0]=2 7104 B11R1.235 CC[C@H](C)COCC1CC1C 34a_100000744939_100009816398 [0,0,0,1,0,0|2,0,0]=3 7105 B11R1.235 CC[C@H](C)COCC1CC1C 7a_100000744939_100009816398 [0,0,0,1,0,0|2,0,0]=3 7106 B11R1.236 C=CC(O)CNCC1CCC1 2230a_100000738700_100000730141 [0,0,0,1,0,0|1,0,2]=4 7107 B11R1.236 C=CC(O)CNCC1CCC1 34a_100000738700_100000730141 [0,0,0,1,0,0|1,0,2]=4 7108 B11R1.236 C=CC(O)COCC1CCC1 34a_100000760304_100000730141 [0,0,0,1,0,0|1,0,2]=4 7109 B11R1.236 C=CC(O)CSCC1CCC1 62a_100000730141_100000763275 [0,0,0,1,0,0|1,0,2]=4 7110 B11R1.236 C=CC(O)CSCC1CCC1 62a_100000763275_100000730141 [0,0,0,1,0,0|1,0,2]=4 7111 B11R1.236 CC(CN)COCC1CCC1 34a_100000744482_100000763275 [0,0,0,1,0,0|3,0,0]=4 7112 B11R1.236 CC(CO)CCNC1CCC1 270004a_106354213184_100000241760 [0,0,0,1,0,0|3,0,0]=4 7113 B11R1.236 CC(CO)CCNC1CCC1 34a_106354213184_100000749161 [0,0,0,1,0,0|3,0,0]=4 7114 B11R1.236 CC(CO)CNCC1CCC1 269862a_100000744482_100000753134 [0,0,0,1,0,0|3,0,0]=4 7115 B11R1.236 CC(CO)CNCC1CCC1 34a_100000744482_100000763275 [0,0,0,1,0,0|3,0,0]=4 7116 B11R1.236 CCC(=O)COCC1CCC1 34a_100000725409_100000763275 [0,0,0,1,0,0|1,0,2]=4 7117 B11R1.236 CCC(=O)CSCC1CCC1 62a_100000747405_100000763275 [0,0,0,1,0,0|1,0,2]=4 7118 B11R1.236 CCC(=O)CSCC1CCC1 62a_100000763275_100000747405 [0,0,0,1,0,0|1,0,2]=4 7119 B11R1.236 CCC(C)CCNC1CCC1 270004a_100020591266_100000241760 [0,0,0,1,0,0|2,0,0]=3 7120 B11R1.236 CCC(C)CCOC1COC1 7a_100011215188_100009818527 [0,0,0,1,0,0|3,0,0]=4 7121 B11R1.236 CCC(C)CNCC1CCC1 2230a_100000738700_100000748023 [0,0,0,1,0,0|2,0,0]=3 7122 B11R1.236 CCC(C)CNCC1CCC1 2230a_100020588543_100000763275 [0,0,0,1,0,0|2,0,0]=3 7123 B11R1.236 CCC(C)CNCC1CCC1 269862a_100020588543_100000753134 [0,0,0,1,0,0|2,0,0]=3 7124 B11R1.236 CCC(C)CNCC1CCC1 270004a_100000738700_100000243153 [0,0,0,1,0,0|2,0,0]=3 7125 B11R1.236 CCC(C)CNCC1CCC1 34a_100000738700_100000748023 [0,0,0,1,0,0|2,0,0]=3 7126 B11R1.236 CCC(C)CNCC1CCO1 2230a_100020588543_100000103362 [0,0,0,1,0,0|3,0,0]=4 7127 B11R1.236 CCC(C)CNCC1COC1 2230a_100015281925_100000748023 [0,0,0,1,0,0|3,0,0]=4 7128 B11R1.236 CCC(C)CNCC1COC1 2230a_100020588543_100010264016 [0,0,0,1,0,0|3,0,0]=4 7129 B11R1.236 CCC(C)CNCC1COC1 270004a_100015281925_100000243153 [0,0,0,1,0,0|3,0,0]=4 7130 B11R1.236 CCC(C)CNCC1COC1 34a_100015281925_100000748023 [0,0,0,1,0,0|3,0,0]=4 7131 B11R1.236 CCC(C)CNC[C@@H]1CCO1 2230a_100020831831_100000748023 [0,0,0,1,0,0|3,0,0]=4 7132 B11R1.236 CCC(C)CNC[C@@H]1CCO1 270004a_100020831831_100000243153 [0,0,0,1,0,0|3,0,0]=4 7133 B11R1.236 CCC(C)CNC[C@@H]1CCO1 34a_100020831831_100000748023 [0,0,0,1,0,0|3,0,0]=4 7134 B11R1.236 CCC(C)COCC1CCC1 34a_100000760304_100000748023 [0,0,0,1,0,0|2,0,0]=3 7135 B11R1.236 CCC(C)COCC1CCO1 34a_100000039022_100000748023 [0,0,0,1,0,0|3,0,0]=4 7136 B11R1.236 CCC(C)COCC1CNC1 34a_100016987283_100000748023 [0,0,0,1,0,0|3,0,0]=4 7137 B11R1.236 CCC(C)COCC1COC1 34a_100000060846_100000748023 [0,0,0,1,0,0|3,0,0]=4 7138 B11R1.236 CCC(C)CSCC1CCC1 62a_100000748023_100000763275 [0,0,0,1,0,0|2,0,0]=3 7139 B11R1.236 CCC(C)CSCC1CCC1 62a_100000763275_100000748023 [0,0,0,1,0,0|2,0,0]=3 7140 B11R1.236 CCC(C)CSCC1CCO1 62a_100000103362_100000748023 [0,0,0,1,0,0|3,0,0]=4 7141 B11R1.236 CCC(C)CSCC1CCO1 62a_100000748023_100000103362 [0,0,0,1,0,0|3,0,0]=4 7142 B11R1.236 CCC(C)CSCC1COC1 62a_100000748023_100010264016 [0,0,0,1,0,0|3,0,0]=4 7143 B11R1.236 CCC(C)CSCC1COC1 62a_100010264016_100000748023 [0,0,0,1,0,0|3,0,0]=4 7144 B11R1.236 CCC(C)OCCC1COC1 34a_100009855314_100011215416 [0,0,0,1,0,0|3,0,0]=4 7145 B11R1.236 CCC(O)CNCC1CCC1 2230a_100000738700_100011218378 [0,0,0,1,0,0|1,0,0]=2 7146 B11R1.236 CCC(O)CNCC1CCC1 2230a_100011218483_100000763275 [0,0,0,1,0,0|1,0,0]=2 7147 B11R1.236 CCC(O)CNCC1CCC1 269862a_100011218483_100000753134 [0,0,0,1,0,0|1,0,0]=2 7148 B11R1.236 CCC(O)CNCC1CCC1 34a_100000738700_100011218378 [0,0,0,1,0,0|1,0,0]=2 7149 B11R1.236 CCC(O)CNCC1CCO1 2230a_100011218483_100000103362 [0,0,0,1,0,0|2,0,0]=3 7150 B11R1.236 CCC(O)CNCC1COC1 2230a_100011218483_100010264016 [0,0,0,1,0,0|2,0,0]=3 7151 B11R1.236 CCC(O)CNCC1COC1 2230a_100015281925_100011218378 [0,0,0,1,0,0|2,0,0]=3 7152 B11R1.236 CCC(O)CNCC1COC1 34a_100015281925_100011218378 [0,0,0,1,0,0|2,0,0]=3 7153 B11R1.236 CCC(O)CNC[C@@H]1CCO1 2230a_100020831831_100011218378 [0,0,0,1,0,0|2,0,0]=3 7154 B11R1.236 CCC(O)CNC[C@@H]1CCO1 34a_100020831831_100011218378 [0,0,0,1,0,0|2,0,0]=3 7155 B11R1.236 CCC(O)CNN=C1CCC1 4a_100015206393_100000241760 [0,0,0,1,0,0|2,0,1]=4 7156 B11R1.236 CCC(O)COCC1CCC1 34a_100000760304_100011218378 [0,0,0,1,0,0|1,0,0]=2 7157 B11R1.236 CCC(O)COCC1CCO1 34a_100000039022_100011218378 [0,0,0,1,0,0|2,0,0]=3 7158 B11R1.236 CCC(O)COCC1CNC1 34a_100016987283_100011218378 [0,0,0,1,0,0|2,0,0]=3 7159 B11R1.236 CCC(O)COCC1COC1 34a_100000060846_100011218378 [0,0,0,1,0,0|2,0,0]=3 7160 B11R1.236 CCC(O)CSCC1CCC1 62a_100000763275_100011218378 [0,0,0,1,0,0|1,0,0]=2 7161 B11R1.236 CCC(O)CSCC1CCC1 62a_100011218378_100000763275 [0,0,0,1,0,0|1,0,0]=2 7162 B11R1.236 CCC(O)CSCC1CCO1 62a_100000103362_100011218378 [0,0,0,1,0,0|2,0,0]=3 7163 B11R1.236 CCC(O)CSCC1CCO1 62a_100011218378_100000103362 [0,0,0,1,0,0|2,0,0]=3 7164 B11R1.236 CCC(O)CSCC1COC1 62a_100010264016_100011218378 [0,0,0,1,0,0|2,0,0]=3 7165 B11R1.236 CCC(O)CSCC1COC1 62a_100011218378_100010264016 [0,0,0,1,0,0|2,0,0]=3 7166 B11R1.236 CCN(C)CCCN1CCC1 269982a_100000754969_100015186262 [0,0,0,1,0,0|3,0,0]=4 7167 B11R1.236 CC[C@H](C)CNCC1CCC1 2230a_100000738700_100009816398 [0,0,0,1,0,0|2,0,0]=3 7168 B11R1.236 CC[C@H](C)CNCC1CCC1 34a_100000738700_100009816398 [0,0,0,1,0,0|2,0,0]=3 7169 B11R1.236 CC[C@H](C)CNCC1COC1 2230a_100015281925_100009816398 [0,0,0,1,0,0|3,0,0]=4 7170 B11R1.236 CC[C@H](C)CNCC1COC1 34a_100015281925_100009816398 [0,0,0,1,0,0|3,0,0]=4 7171 B11R1.236 CC[C@H](C)CNC[C@@H]1CCO1 2230a_100020831831_100009816398 [0,0,0,1,0,0|3,0,0]=4 7172 B11R1.236 CC[C@H](C)CNC[C@@H]1CCO1 34a_100020831831_100009816398 [0,0,0,1,0,0|3,0,0]=4 7173 B11R1.236 CC[C@H](C)COCC1CCC1 34a_100000760304_100009816398 [0,0,0,1,0,0|2,0,0]=3 7174 B11R1.236 CC[C@H](C)COCC1CCC1 7a_100009816381_100000763275 [0,0,0,1,0,0|2,0,0]=3 7175 B11R1.236 CC[C@H](C)COCC1CCO1 34a_100000039022_100009816398 [0,0,0,1,0,0|3,0,0]=4 7176 B11R1.236 CC[C@H](C)COCC1CCO1 7a_100009816381_100000103362 [0,0,0,1,0,0|3,0,0]=4 7177 B11R1.236 CC[C@H](C)COCC1CNC1 34a_100016987283_100009816398 [0,0,0,1,0,0|3,0,0]=4 7178 B11R1.236 CC[C@H](C)COCC1COC1 34a_100000060846_100009816398 [0,0,0,1,0,0|3,0,0]=4 7179 B11R1.236 CC[C@H](C)COCC1COC1 7a_100009816381_100010264016 [0,0,0,1,0,0|3,0,0]=4 7180 B11R1.236 CC[C@H](C)CSCC1CCC1 62a_100000763275_100009816398 [0,0,0,1,0,0|2,0,0]=3 7181 B11R1.236 CC[C@H](C)CSCC1CCC1 62a_100009816398_100000763275 [0,0,0,1,0,0|2,0,0]=3 7182 B11R1.236 CC[C@H](C)CSCC1CCO1 62a_100000103362_100009816398 [0,0,0,1,0,0|3,0,0]=4 7183 B11R1.236 CC[C@H](C)CSCC1CCO1 62a_100009816398_100000103362 [0,0,0,1,0,0|3,0,0]=4 7184 B11R1.236 CC[C@H](C)CSCC1COC1 62a_100009816398_100010264016 [0,0,0,1,0,0|3,0,0]=4 7185 B11R1.236 CC[C@H](C)CSCC1COC1 62a_100010264016_100009816398 [0,0,0,1,0,0|3,0,0]=4 7186 B11R1.236 COC(C)COCC1CCC1 34a_100000690652_100000763275 [0,0,0,1,0,0|3,0,0]=4 7187 B11R1.236 CO[C@H](C)CNCC1CCC1 2230a_100020591295_100000763275 [0,0,0,1,0,0|3,0,0]=4 7188 B11R1.236 CO[C@H](C)CNCC1CCC1 269862a_100020591295_100000753134 [0,0,0,1,0,0|3,0,0]=4 7189 B11R1.236 C[C@@H](CO)CNCC1CCC1 2230a_100000738700_100000059175 [0,0,0,1,0,0|3,0,0]=4 7190 B11R1.236 C[C@@H](CO)CNCC1CCC1 34a_100000738700_100000059175 [0,0,0,1,0,0|3,0,0]=4 7191 B11R1.236 C[C@@H](CO)COCC1CCC1 34a_100000760304_100000059175 [0,0,0,1,0,0|3,0,0]=4 7192 B11R1.236 C[C@@H](CO)CSCC1CCC1 62a_100000059175_100000763275 [0,0,0,1,0,0|3,0,0]=4 7193 B11R1.236 C[C@@H](CO)CSCC1CCC1 62a_100000763275_100000059175 [0,0,0,1,0,0|3,0,0]=4 7194 B11R1.236 ClCC(Cl)COCC1CCC1 34a_100000033668_100000763275 [0,0,0,1,0,0|3,0,0]=4 7195 B11R1.236 NC[C@@H](F)COCC1CCC1 34a_100015665980_100000763275 [0,0,0,1,0,0|3,0,0]=4 7196 B11R1.236 OCC(O)CNCC1CCC1 2230a_100000738700_100011219619 [0,0,0,1,0,0|2,0,0]=3 7197 B11R1.236 OCC(O)CNCC1CCC1 34a_100000738700_100011219619 [0,0,0,1,0,0|2,0,0]=3 7198 B11R1.236 OCC(O)CNCC1COC1 2230a_100015281925_100011219619 [0,0,0,1,0,0|3,0,0]=4 7199 B11R1.236 OCC(O)CNCC1COC1 34a_100015281925_100011219619 [0,0,0,1,0,0|3,0,0]=4 7200 B11R1.236 OCC(O)CNC[C@@H]1CCO1 2230a_100020831831_100011219619 [0,0,0,1,0,0|3,0,0]=4 7201 B11R1.236 OCC(O)CNC[C@@H]1CCO1 34a_100020831831_100011219619 [0,0,0,1,0,0|3,0,0]=4 7202 B11R1.236 OCC(O)COCC1CCC1 34a_100000760304_100011219619 [0,0,0,1,0,0|2,0,0]=3 7203 B11R1.236 OCC(O)COCC1CCO1 34a_100000039022_100011219619 [0,0,0,1,0,0|3,0,0]=4 7204 B11R1.236 OCC(O)COCC1CNC1 34a_100016987283_100011219619 [0,0,0,1,0,0|3,0,0]=4 7205 B11R1.236 OCC(O)COCC1COC1 34a_100000060846_100011219619 [0,0,0,1,0,0|3,0,0]=4 7206 B11R1.236 OCC(O)CSCC1CCC1 62a_100000763275_100011219619 [0,0,0,1,0,0|2,0,0]=3 7207 B11R1.236 OCC(O)CSCC1CCC1 62a_100011219619_100000763275 [0,0,0,1,0,0|2,0,0]=3 7208 B11R1.236 OCC(O)CSCC1CCO1 62a_100000103362_100011219619 [0,0,0,1,0,0|3,0,0]=4 7209 B11R1.236 OCC(O)CSCC1CCO1 62a_100011219619_100000103362 [0,0,0,1,0,0|3,0,0]=4 7210 B11R1.236 OCC(O)CSCC1COC1 62a_100010264016_100011219619 [0,0,0,1,0,0|3,0,0]=4 7211 B11R1.236 OCC(O)CSCC1COC1 62a_100011219619_100010264016 [0,0,0,1,0,0|3,0,0]=4 7212 B11R1.236 OC[C@@H](O)CNCC1CCC1 2230a_100020644852_100000763275 [0,0,0,1,0,0|2,0,0]=3 7213 B11R1.236 OC[C@@H](O)CNCC1CCC1 269862a_100020644852_100000753134 [0,0,0,1,0,0|2,0,0]=3 7214 B11R1.236 OC[C@@H](O)CNCC1CCO1 2230a_100020644852_100000103362 [0,0,0,1,0,0|3,0,0]=4 7215 B11R1.236 OC[C@@H](O)CNCC1COC1 2230a_100020644852_100010264016 [0,0,0,1,0,0|3,0,0]=4 7216 B11R1.236 OC[C@H](F)CNCC1CCC1 269862a_100015665980_100000753134 [0,0,0,1,0,0|3,0,0]=4 7217 B11R1.236 OC[C@H](F)CNCC1CCC1 34a_100015665980_100000763275 [0,0,0,1,0,0|3,0,0]=4 7218 B11R1.236 OC[C@H](O)CNCC1CCC1 2230a_100000738700_100009815848 [0,0,0,1,0,0|2,0,0]=3 7219 B11R1.236 OC[C@H](O)CNCC1CCC1 34a_100000738700_100009815848 [0,0,0,1,0,0|2,0,0]=3 7220 B11R1.236 OC[C@H](O)CNCC1COC1 2230a_100015281925_100009815848 [0,0,0,1,0,0|3,0,0]=4 7221 B11R1.236 OC[C@H](O)CNCC1COC1 34a_100015281925_100009815848 [0,0,0,1,0,0|3,0,0]=4 7222 B11R1.236 OC[C@H](O)CNC[C@@H]1CCO1 2230a_100020831831_100009815848 [0,0,0,1,0,0|3,0,0]=4 7223 B11R1.236 OC[C@H](O)CNC[C@@H]1CCO1 34a_100020831831_100009815848 [0,0,0,1,0,0|3,0,0]=4 7224 B11R1.236 OC[C@H](O)COCC1CCC1 34a_100000760304_100009815848 [0,0,0,1,0,0|2,0,0]=3 7225 B11R1.236 OC[C@H](O)COCC1CCO1 34a_100000039022_100009815848 [0,0,0,1,0,0|3,0,0]=4 7226 B11R1.236 OC[C@H](O)COCC1CNC1 34a_100016987283_100009815848 [0,0,0,1,0,0|3,0,0]=4 7227 B11R1.236 OC[C@H](O)COCC1COC1 34a_100000060846_100009815848 [0,0,0,1,0,0|3,0,0]=4 7228 B11R1.236 OC[C@H](O)CSCC1CCC1 62a_100000763275_100009815848 [0,0,0,1,0,0|2,0,0]=3 7229 B11R1.236 OC[C@H](O)CSCC1CCC1 62a_100009815848_100000763275 [0,0,0,1,0,0|2,0,0]=3 7230 B11R1.236 OC[C@H](O)CSCC1CCO1 62a_100000103362_100009815848 [0,0,0,1,0,0|3,0,0]=4 7231 B11R1.236 OC[C@H](O)CSCC1CCO1 62a_100009815848_100000103362 [0,0,0,1,0,0|3,0,0]=4 7232 B11R1.236 OC[C@H](O)CSCC1COC1 62a_100009815848_100010264016 [0,0,0,1,0,0|3,0,0]=4 7233 B11R1.236 OC[C@H](O)CSCC1COC1 62a_100010264016_100009815848 [0,0,0,1,0,0|3,0,0]=4 7234 B11R1.236 O[C@@H](CF)CNCC1CCC1 2230a_100000738700_100015614560 [0,0,0,1,0,0|2,0,0]=3 7235 B11R1.236 O[C@@H](CF)CNCC1CCC1 34a_100000738700_100015614560 [0,0,0,1,0,0|2,0,0]=3 7236 B11R1.236 O[C@@H](CF)CNCC1COC1 2230a_100015281925_100015614560 [0,0,0,1,0,0|3,0,0]=4 7237 B11R1.236 O[C@@H](CF)CNCC1COC1 34a_100015281925_100015614560 [0,0,0,1,0,0|3,0,0]=4 7238 B11R1.236 O[C@@H](CF)CNC[C@@H]1CCO1 2230a_100020831831_100015614560 [0,0,0,1,0,0|3,0,0]=4 7239 B11R1.236 O[C@@H](CF)CNC[C@@H]1CCO1 34a_100020831831_100015614560 [0,0,0,1,0,0|3,0,0]=4 7240 B11R1.236 O[C@@H](CF)COCC1CCC1 34a_100000760304_100015614560 [0,0,0,1,0,0|2,0,0]=3 7241 B11R1.236 O[C@@H](CF)COCC1CCO1 34a_100000039022_100015614560 [0,0,0,1,0,0|3,0,0]=4 7242 B11R1.236 O[C@@H](CF)COCC1CNC1 34a_100016987283_100015614560 [0,0,0,1,0,0|3,0,0]=4 7243 B11R1.236 O[C@@H](CF)COCC1COC1 34a_100000060846_100015614560 [0,0,0,1,0,0|3,0,0]=4 7244 B11R1.236 O[C@@H](CF)CSCC1CCC1 62a_100000763275_100015614560 [0,0,0,1,0,0|2,0,0]=3 7245 B11R1.236 O[C@@H](CF)CSCC1CCC1 62a_100015614560_100000763275 [0,0,0,1,0,0|2,0,0]=3 7246 B11R1.236 O[C@@H](CF)CSCC1CCO1 62a_100000103362_100015614560 [0,0,0,1,0,0|3,0,0]=4 7247 B11R1.236 O[C@@H](CF)CSCC1CCO1 62a_100015614560_100000103362 [0,0,0,1,0,0|3,0,0]=4 7248 B11R1.236 O[C@@H](CF)CSCC1COC1 62a_100010264016_100015614560 [0,0,0,1,0,0|3,0,0]=4 7249 B11R1.236 O[C@@H](CF)CSCC1COC1 62a_100015614560_100010264016 [0,0,0,1,0,0|3,0,0]=4 7250 B11R1.237 C=CC(O)CNCCC1CC1 34a_100000764129_100000730141 [0,0,0,1,0,0|1,0,2]=4 7251 B11R1.237 C=CC(O)COCCC1CC1 34a_100000754188_100000730141 [0,0,0,1,0,0|1,0,2]=4 7252 B11R1.237 C=CC(O)COCCC1CC1 7a_100000754188_100000730141 [0,0,0,1,0,0|1,0,2]=4 7253 B11R1.237 C=CC(O)CSCCC1CC1 62a_100000730141_100000764125 [0,0,0,1,0,0|1,0,2]=4 7254 B11R1.237 C=CC(O)CSCCC1CC1 62a_100000764125_100000730141 [0,0,0,1,0,0|1,0,2]=4 7255 B11R1.237 CC(CN)COCCC1CC1 34a_100000744482_100000694398 [0,0,0,1,0,0|3,0,0]=4 7256 B11R1.237 CC(CO)CCNCC1CC1 2230a_106354213184_100000742324 [0,0,0,1,0,0|3,0,0]=4 7257 B11R1.237 CC(CO)CCNCC1CC1 269862a_106354213184_100000741477 [0,0,0,1,0,0|3,0,0]=4 7258 B11R1.237 CC(CO)CCNCC1CC1 34a_106354213184_100000742324 [0,0,0,1,0,0|3,0,0]=4 7259 B11R1.237 CC(CO)CNCCC1CC1 34a_100000744482_100000694398 [0,0,0,1,0,0|3,0,0]=4 7260 B11R1.237 CCC(=O)COCCC1CC1 34a_100000725409_100000694398 [0,0,0,1,0,0|1,0,2]=4 7261 B11R1.237 CCC(=O)COCCC1CC1 7a_100000754188_100000747405 [0,0,0,1,0,0|1,0,2]=4 7262 B11R1.237 CCC(=O)CSCCC1CC1 62a_100000747405_100000764125 [0,0,0,1,0,0|1,0,2]=4 7263 B11R1.237 CCC(=O)CSCCC1CC1 62a_100000764125_100000747405 [0,0,0,1,0,0|1,0,2]=4 7264 B11R1.237 CCC(C)CCNCC1CC1 2230a_100020591266_100000742324 [0,0,0,1,0,0|2,0,0]=3 7265 B11R1.237 CCC(C)CCNCC1CC1 269862a_100020591266_100000741477 [0,0,0,1,0,0|2,0,0]=3 7266 B11R1.237 CCC(C)CCNCC1CO1 2230a_100020591266_100011216344 [0,0,0,1,0,0|3,0,0]=4 7267 B11R1.237 CCC(C)CCOCC1CC1 7a_100011215188_100000742324 [0,0,0,1,0,0|2,0,0]=3 7268 B11R1.237 CCC(C)CCOCC1CO1 7a_100011215188_102125554688 [0,0,0,1,0,0|3,0,0]=4 7269 B11R1.237 CCC(C)CCOCC1CS1 7a_100011215188_100000031435 [0,0,0,1,0,0|3,0,0]=4 7270 B11R1.237 CCC(C)CCOC[C@@H]1CO1 7a_100011215188_100000745022 [0,0,0,1,0,0|3,0,0]=4 7271 B11R1.237 CCC(C)CNCCC1CC1 2230a_100020588543_100000694398 [0,0,0,1,0,0|2,0,0]=3 7272 B11R1.237 CCC(C)CNCCC1CC1 270004a_100000764129_100000243153 [0,0,0,1,0,0|2,0,0]=3 7273 B11R1.237 CCC(C)CNCCC1CC1 34a_100000764129_100000748023 [0,0,0,1,0,0|2,0,0]=3 7274 B11R1.237 CCC(C)CNCCC1CO1 2230a_100020588543_100000732470 [0,0,0,1,0,0|3,0,0]=4 7275 B11R1.237 CCC(C)COCCC1CC1 34a_100000754188_100000748023 [0,0,0,1,0,0|2,0,0]=3 7276 B11R1.237 CCC(C)COCCC1CC1 7a_100000754188_100000748023 [0,0,0,1,0,0|2,0,0]=3 7277 B11R1.237 CCC(C)COCC[C@@H]1CO1 34a_100009820653_100000748023 [0,0,0,1,0,0|3,0,0]=4 7278 B11R1.237 CCC(C)CSCCC1CC1 62a_100000748023_100000764125 [0,0,0,1,0,0|2,0,0]=3 7279 B11R1.237 CCC(C)CSCCC1CC1 62a_100000764125_100000748023 [0,0,0,1,0,0|2,0,0]=3 7280 B11R1.237 CCC(C)CSCCC1CO1 62a_100000732470_100000748023 [0,0,0,1,0,0|3,0,0]=4 7281 B11R1.237 CCC(C)CSCCC1CO1 62a_100000748023_100000732470 [0,0,0,1,0,0|3,0,0]=4 7282 B11R1.237 CCC(C)NCCCC1CO1 2230a_100000209981_100000733510 [0,0,0,1,0,0|3,0,0]=4 7283 B11R1.237 CCC(C)OCCCC1CO1 7a_100000210228_100000733510 [0,0,0,1,0,0|3,0,0]=4 7284 B11R1.237 CCC(C)OCCNC1CC1 34a_100000738766_100011215416 [0,0,0,1,0,0|3,0,0]=4 7285 B11R1.237 CCC(C)SCCCC1CO1 62a_100000733510_100000758301 [0,0,0,1,0,0|3,0,0]=4 7286 B11R1.237 CCC(C)SCCCC1CO1 62a_100000758301_100000733510 [0,0,0,1,0,0|3,0,0]=4 7287 B11R1.237 CCC(O)CNCCC1CC1 2230a_100011218483_100000694398 [0,0,0,1,0,0|1,0,0]=2 7288 B11R1.237 CCC(O)CNCCC1CC1 34a_100000764129_100011218378 [0,0,0,1,0,0|1,0,0]=2 7289 B11R1.237 CCC(O)CNCCC1CO1 2230a_100011218483_100000732470 [0,0,0,1,0,0|2,0,0]=3 7290 B11R1.237 CCC(O)CNN=CC1CC1 4a_100015206393_100000741477 [0,0,0,1,0,0|2,0,1]=4 7291 B11R1.237 CCC(O)COCCC1CC1 34a_100000754188_100011218378 [0,0,0,1,0,0|1,0,0]=2 7292 B11R1.237 CCC(O)COCCC1CC1 7a_100000754188_100011218378 [0,0,0,1,0,0|1,0,0]=2 7293 B11R1.237 CCC(O)COCC[C@@H]1CO1 34a_100009820653_100011218378 [0,0,0,1,0,0|2,0,0]=3 7294 B11R1.237 CCC(O)CSCCC1CC1 62a_100000764125_100011218378 [0,0,0,1,0,0|1,0,0]=2 7295 B11R1.237 CCC(O)CSCCC1CC1 62a_100011218378_100000764125 [0,0,0,1,0,0|1,0,0]=2 7296 B11R1.237 CCC(O)CSCCC1CO1 62a_100000732470_100011218378 [0,0,0,1,0,0|2,0,0]=3 7297 B11R1.237 CCC(O)CSCCC1CO1 62a_100011218378_100000732470 [0,0,0,1,0,0|2,0,0]=3 7298 B11R1.237 CC[C@H](C)CNCCC1CC1 34a_100000764129_100009816398 [0,0,0,1,0,0|2,0,0]=3 7299 B11R1.237 CC[C@H](C)COCCC1CC1 34a_100000754188_100009816398 [0,0,0,1,0,0|2,0,0]=3 7300 B11R1.237 CC[C@H](C)COCCC1CC1 7a_100000754188_100009816398 [0,0,0,1,0,0|2,0,0]=3 7301 B11R1.237 CC[C@H](C)COCCC1CC1 7a_100009816381_100000764125 [0,0,0,1,0,0|2,0,0]=3 7302 B11R1.237 CC[C@H](C)COCCC1CO1 7a_100009816381_100000732470 [0,0,0,1,0,0|3,0,0]=4 7303 B11R1.237 CC[C@H](C)COCC[C@@H]1CO1 34a_100009820653_100009816398 [0,0,0,1,0,0|3,0,0]=4 7304 B11R1.237 CC[C@H](C)CSCCC1CC1 62a_100000764125_100009816398 [0,0,0,1,0,0|2,0,0]=3 7305 B11R1.237 CC[C@H](C)CSCCC1CC1 62a_100009816398_100000764125 [0,0,0,1,0,0|2,0,0]=3 7306 B11R1.237 CC[C@H](C)CSCCC1CO1 62a_100000732470_100009816398 [0,0,0,1,0,0|3,0,0]=4 7307 B11R1.237 CC[C@H](C)CSCCC1CO1 62a_100009816398_100000732470 [0,0,0,1,0,0|3,0,0]=4 7308 B11R1.237 COC(C)CCOCC1CC1 7a_100000764861_100000742324 [0,0,0,1,0,0|3,0,0]=4 7309 B11R1.237 COC(C)COCCC1CC1 34a_100000690652_100000694398 [0,0,0,1,0,0|3,0,0]=4 7310 B11R1.237 CO[C@H](C)CNCCC1CC1 2230a_100020591295_100000694398 [0,0,0,1,0,0|3,0,0]=4 7311 B11R1.237 C[C@@H](CN)CCCOC1CC1 34a_100160569302_100000211595 [0,0,0,1,0,0|3,0,0]=4 7312 B11R1.237 C[C@@H](CO)CNCCC1CC1 34a_100000764129_100000059175 [0,0,0,1,0,0|3,0,0]=4 7313 B11R1.237 C[C@@H](CO)COCCC1CC1 34a_100000754188_100000059175 [0,0,0,1,0,0|3,0,0]=4 7314 B11R1.237 C[C@@H](CO)COCCC1CC1 7a_100000754188_100000059175 [0,0,0,1,0,0|3,0,0]=4 7315 B11R1.237 C[C@@H](CO)CSCCC1CC1 62a_100000059175_100000764125 [0,0,0,1,0,0|3,0,0]=4 7316 B11R1.237 C[C@@H](CO)CSCCC1CC1 62a_100000764125_100000059175 [0,0,0,1,0,0|3,0,0]=4 7317 B11R1.237 ClCC(Cl)COCCC1CC1 34a_100000033668_100000694398 [0,0,0,1,0,0|3,0,0]=4 7318 B11R1.237 NC[C@@H](F)COCCC1CC1 34a_100015665980_100000694398 [0,0,0,1,0,0|3,0,0]=4 7319 B11R1.237 OCC(O)CNCCC1CC1 34a_100000764129_100011219619 [0,0,0,1,0,0|2,0,0]=3 7320 B11R1.237 OCC(O)COCCC1CC1 34a_100000754188_100011219619 [0,0,0,1,0,0|2,0,0]=3 7321 B11R1.237 OCC(O)COCCC1CC1 7a_100000754188_100011219619 [0,0,0,1,0,0|2,0,0]=3 7322 B11R1.237 OCC(O)COCC[C@@H]1CO1 34a_100009820653_100011219619 [0,0,0,1,0,0|3,0,0]=4 7323 B11R1.237 OCC(O)CSCCC1CC1 62a_100000764125_100011219619 [0,0,0,1,0,0|2,0,0]=3 7324 B11R1.237 OCC(O)CSCCC1CC1 62a_100011219619_100000764125 [0,0,0,1,0,0|2,0,0]=3 7325 B11R1.237 OCC(O)CSCCC1CO1 62a_100000732470_100011219619 [0,0,0,1,0,0|3,0,0]=4 7326 B11R1.237 OCC(O)CSCCC1CO1 62a_100011219619_100000732470 [0,0,0,1,0,0|3,0,0]=4 7327 B11R1.237 OC[C@@H](O)CNCCC1CC1 2230a_100020644852_100000694398 [0,0,0,1,0,0|2,0,0]=3 7328 B11R1.237 OC[C@@H](O)CNCCC1CO1 2230a_100020644852_100000732470 [0,0,0,1,0,0|3,0,0]=4 7329 B11R1.237 OC[C@H](F)CNCCC1CC1 34a_100015665980_100000694398 [0,0,0,1,0,0|3,0,0]=4 7330 B11R1.237 OC[C@H](O)CNCCC1CC1 34a_100000764129_100009815848 [0,0,0,1,0,0|2,0,0]=3 7331 B11R1.237 OC[C@H](O)COCCC1CC1 34a_100000754188_100009815848 [0,0,0,1,0,0|2,0,0]=3 7332 B11R1.237 OC[C@H](O)COCCC1CC1 7a_100000754188_100009815848 [0,0,0,1,0,0|2,0,0]=3 7333 B11R1.237 OC[C@H](O)COCC[C@@H]1CO1 34a_100009820653_100009815848 [0,0,0,1,0,0|3,0,0]=4 7334 B11R1.237 OC[C@H](O)CSCCC1CC1 62a_100000764125_100009815848 [0,0,0,1,0,0|2,0,0]=3 7335 B11R1.237 OC[C@H](O)CSCCC1CC1 62a_100009815848_100000764125 [0,0,0,1,0,0|2,0,0]=3 7336 B11R1.237 OC[C@H](O)CSCCC1CO1 62a_100000732470_100009815848 [0,0,0,1,0,0|3,0,0]=4 7337 B11R1.237 OC[C@H](O)CSCCC1CO1 62a_100009815848_100000732470 [0,0,0,1,0,0|3,0,0]=4 7338 B11R1.237 O[C@@H](CF)CNCCC1CC1 34a_100000764129_100015614560 [0,0,0,1,0,0|2,0,0]=3 7339 B11R1.237 O[C@@H](CF)COCCC1CC1 34a_100000754188_100015614560 [0,0,0,1,0,0|2,0,0]=3 7340 B11R1.237 O[C@@H](CF)COCCC1CC1 7a_100000754188_100015614560 [0,0,0,1,0,0|2,0,0]=3 7341 B11R1.237 O[C@@H](CF)COCC[C@@H]1CO1 34a_100009820653_100015614560 [0,0,0,1,0,0|3,0,0]=4 7342 B11R1.237 O[C@@H](CF)CSCCC1CC1 62a_100000764125_100015614560 [0,0,0,1,0,0|2,0,0]=3 7343 B11R1.237 O[C@@H](CF)CSCCC1CC1 62a_100015614560_100000764125 [0,0,0,1,0,0|2,0,0]=3 7344 B11R1.237 O[C@@H](CF)CSCCC1CO1 62a_100000732470_100015614560 [0,0,0,1,0,0|3,0,0]=4 7345 B11R1.237 O[C@@H](CF)CSCCC1CO1 62a_100015614560_100000732470 [0,0,0,1,0,0|3,0,0]=4 7346 B11R1.248 CCN1CCCCCCCC1 2230a_100000039187_100000210202 [0,0,0,1,0,0|2,0,0]=3 7347 B11R1.248 CCN1CCCCCCCC1 269982a_100000039187_100000204670 [0,0,0,1,0,0|2,0,0]=3 7348 B11R1.248 CCN1CCCCCCCC1 34a_100000039187_100000210202 [0,0,0,1,0,0|2,0,0]=3 7349 B11R1.248 CNC1CCCCCCCC1 270004a_106832991635_100000038600 [0,0,0,1,0,0|2,0,0]=3 7350 B11R1.248 FCN1CCCCCCCC1 269982a_100000039187_100015361967 [0,0,0,1,0,0|3,0,0]=4 7351 B11R1.248 FCN1CCCCCCCC1 34a_100000039187_100015361967 [0,0,0,1,0,0|3,0,0]=4 7352 B11R1.320 C#CCCCNCC1(CC1)O 2230a_100011936951_100000731252 [0,0,0,1,0,0|1,0,2]=4 7353 B11R1.320 C=CCCCNCC1(CC1)O 2230a_100011936951_100011713584 [0,0,0,1,0,0|1,0,2]=4 7354 B11R1.320 CC/C=C\CNCC1(CC1)O 2230a_100011936951_100103147603 [0,0,0,1,0,0|1,0,2]=4 7355 B11R1.320 CC1(CC1)CNCCCCF 2230a_100000766693_100000729493 [0,0,0,1,0,0|3,0,0]=4 7356 B11R1.320 CC1(CC1)CNCCCCO 2230a_100000766693_100000210776 [0,0,0,1,0,0|3,0,0]=4 7357 B11R1.320 CC1(CC1)COCCCCF 7a_100000698024_100000729493 [0,0,0,1,0,0|3,0,0]=4 7358 B11R1.320 CC1(CC1)COCCCCO 7a_100000698024_100000210776 [0,0,0,1,0,0|3,0,0]=4 7359 B11R1.320 CC1(CC1)NCCCCCF 2230a_100000757604_100000729378 [0,0,0,1,0,0|3,0,0]=4 7360 B11R1.320 CC1(CC1)NCCCCCO 2230a_100000757604_100000746330 [0,0,0,1,0,0|3,0,0]=4 7361 B11R1.320 CC1(CC1)OCCCCCF 7a_100011725673_100000729378 [0,0,0,1,0,0|3,0,0]=4 7362 B11R1.320 CC1(CC1)OCCCCCO 7a_100011725673_100000746330 [0,0,0,1,0,0|3,0,0]=4 7363 B11R1.320 CCC#CCNCC1(CC1)O 2230a_100011936951_100009813939 [0,0,0,1,0,0|1,0,2]=4 7364 B11R1.320 CCCCCCNC1(CC1)C 2230a_100000757604_100000210314 [0,0,0,1,0,0|2,0,0]=3 7365 B11R1.320 CCCCCCOC1(CC1)C 7a_100011725673_100000210314 [0,0,0,1,0,0|2,0,0]=3 7366 B11R1.320 CCCCCNCC1(CC1)C 2230a_100000766693_100000210326 [0,0,0,1,0,0|2,0,0]=3 7367 B11R1.320 CCCCCNCC1(CC1)O 2230a_100011936951_100000210326 [0,0,0,1,0,0|1,0,0]=2 7368 B11R1.320 CCCCCOCC1(CC1)C 7a_100000698024_100000210326 [0,0,0,1,0,0|2,0,0]=3 7369 B11R1.320 CCCCCOCC1(CC1)F 34a_200000703853_100000718602 [0,0,0,1,0,0|2,0,0]=3 7370 B11R1.320 CCCCCOCC1(CC1)F 7a_200000703853_100000210326 [0,0,0,1,0,0|2,0,0]=3 7371 B11R1.320 CCCCCOCC1(CO1)C 34a_100000210253_100000760498 [0,0,0,1,0,0|3,0,0]=4 7372 B11R1.320 CCCCCSCC1(CO1)C 62a_100000210326_100000760498 [0,0,0,1,0,0|3,0,0]=4 7373 B11R1.320 CCCCCSCC1(CO1)C 62a_100000760498_100000210326 [0,0,0,1,0,0|3,0,0]=4 7374 B11R1.320 CCCCOCNC1(CC1)C 2230a_100000757604_100011995733 [0,0,0,1,0,0|3,0,0]=4 7375 B11R1.320 CCCOCCNC1(CC1)C 2230a_100000757604_100011215938 [0,0,0,1,0,0|3,0,0]=4 7376 B11R1.320 CCCOCCOC1(CC1)C 7a_100011725673_100011215938 [0,0,0,1,0,0|3,0,0]=4 7377 B11R1.320 CCOCCCNC1(CC1)C 2230a_100000757604_100012232248 [0,0,0,1,0,0|3,0,0]=4 7378 B11R1.320 CCOCCCOC1(CC1)C 7a_100011725673_100012232248 [0,0,0,1,0,0|3,0,0]=4 7379 B11R1.320 CCOCCNCC1(CC1)C 2230a_100000766693_100011215890 [0,0,0,1,0,0|3,0,0]=4 7380 B11R1.320 CCOCCNCC1(CC1)O 2230a_100011936951_100011215890 [0,0,0,1,0,0|2,0,0]=3 7381 B11R1.320 CCOCCOCC1(CC1)C 7a_100000698024_100011215890 [0,0,0,1,0,0|3,0,0]=4 7382 B11R1.320 CCOCCOCC1(CC1)F 34a_200000703853_100000210147 [0,0,0,1,0,0|3,0,0]=4 7383 B11R1.320 CCOCCOCC1(CC1)F 7a_200000703853_100011215890 [0,0,0,1,0,0|3,0,0]=4 7384 B11R1.320 CCSCCNCC1(CC1)C 2230a_100000766693_100000757381 [0,0,0,1,0,0|3,0,0]=4 7385 B11R1.320 CCSCCNCC1(CC1)O 2230a_100011936951_100000757381 [0,0,0,1,0,0|2,0,0]=3 7386 B11R1.320 CCSCCOCC1(CC1)C 7a_100000698024_100000757381 [0,0,0,1,0,0|3,0,0]=4 7387 B11R1.320 CCSCCOCC1(CC1)F 34a_200000703853_100000757381 [0,0,0,1,0,0|3,0,0]=4 7388 B11R1.320 CCSCCOCC1(CC1)F 7a_200000703853_100000757381 [0,0,0,1,0,0|3,0,0]=4 7389 B11R1.320 COCCCCNC1(CC1)C 2230a_100000757604_100000730899 [0,0,0,1,0,0|3,0,0]=4 7390 B11R1.320 COCCCCOC1(CC1)C 7a_100011725673_100000730899 [0,0,0,1,0,0|3,0,0]=4 7391 B11R1.320 COCCCNCC1(CC1)C 2230a_100000766693_100000740836 [0,0,0,1,0,0|3,0,0]=4 7392 B11R1.320 COCCCNCC1(CC1)O 2230a_100011936951_100000740836 [0,0,0,1,0,0|2,0,0]=3 7393 B11R1.320 COCCCOCC1(CC1)C 7a_100000698024_100000740836 [0,0,0,1,0,0|3,0,0]=4 7394 B11R1.320 COCCCOCC1(CC1)F 34a_200000703853_100000740836 [0,0,0,1,0,0|3,0,0]=4 7395 B11R1.320 COCCCOCC1(CC1)F 7a_200000703853_100000740836 [0,0,0,1,0,0|3,0,0]=4 7396 B11R1.320 FCCCCOCC1(CC1)F 34a_200000703853_100000729493 [0,0,0,1,0,0|3,0,0]=4 7397 B11R1.320 FCCCCOCC1(CC1)F 7a_200000703853_100000729493 [0,0,0,1,0,0|3,0,0]=4 7398 B11R1.320 N#CCCCNCC1(CC1)O 2230a_100011936951_100000687738 [0,0,0,1,0,0|2,0,1]=4 7399 B11R1.320 O=CCCCNCC1(CC1)O 2230a_100011936951_200011292268 [0,0,0,1,0,0|2,0,1]=4 7400 B11R1.320 OC1(CC1)CNCCCCF 2230a_100011936951_100000729493 [0,0,0,1,0,0|2,0,0]=3 7401 B11R1.320 OCCCCNCC1(CC1)O 2230a_100011936951_100000210776 [0,0,0,1,0,0|2,0,0]=3 7402 B11R1.320 OCCCCOCC1(CC1)F 34a_200000703853_100011216708 [0,0,0,1,0,0|3,0,0]=4 7403 B11R1.320 OCCCCOCC1(CC1)F 7a_200000703853_100000210776 [0,0,0,1,0,0|3,0,0]=4 7404 B11R1.757 C#CCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000731252 [0,0,0,1,0,0|1,0,2]=4 7405 B11R1.757 C#CCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100011215417 [0,0,0,1,0,0|1,0,2]=4 7406 B11R1.757 C=CCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100011713584 [0,0,0,1,0,0|1,0,2]=4 7407 B11R1.757 C=CCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000757094 [0,0,0,1,0,0|1,0,2]=4 7408 B11R1.757 CC/C=C\CN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100103147603 [0,0,0,1,0,0|1,0,2]=4 7409 B11R1.757 CC/C=C\CN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100103147603 [0,0,0,1,0,0|1,0,2]=4 7410 B11R1.757 CCC#CCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100009813939 [0,0,0,1,0,0|1,0,2]=4 7411 B11R1.757 CCCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210326 [0,0,0,1,0,0|1,0,0]=2 7412 B11R1.757 CCCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210215 [0,0,0,1,0,0|1,0,0]=2 7413 B11R1.757 CCOCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100011215890 [0,0,0,1,0,0|2,0,0]=3 7414 B11R1.757 CCOCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100011215890 [0,0,0,1,0,0|2,0,0]=3 7415 B11R1.757 CCSCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000757381 [0,0,0,1,0,0|2,0,0]=3 7416 B11R1.757 CCSCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000757381 [0,0,0,1,0,0|2,0,0]=3 7417 B11R1.757 COCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000740836 [0,0,0,1,0,0|2,0,0]=3 7418 B11R1.757 COCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000740836 [0,0,0,1,0,0|2,0,0]=3 7419 B11R1.757 C[C@H]1[C@H](CN1CCCC#N)O 2230a_206633788156_100000687738 [0,0,0,1,0,0|2,0,1]=4 7420 B11R1.757 C[C@H]1[C@H](CN1CCCC#N)O 269982a_206633788156_100000687738 [0,0,0,1,0,0|2,0,1]=4 7421 B11R1.757 C[C@H]1[C@H](CN1CCCC=O)O 2230a_206633788156_200011292268 [0,0,0,1,0,0|2,0,1]=4 7422 B11R1.757 C[C@H]1[C@H](CN1CCCC=O)O 269982a_206633788156_200011292268 [0,0,0,1,0,0|2,0,1]=4 7423 B11R1.757 C[C@H]1[C@H](CN1CCCCF)O 2230a_206633788156_100000729493 [0,0,0,1,0,0|2,0,0]=3 7424 B11R1.757 C[C@H]1[C@H](CN1CCCCF)O 269982a_206633788156_100000729493 [0,0,0,1,0,0|2,0,0]=3 7425 B11R1.757 C[C@H]1[C@H](CN1CCCCO)O 2230a_206633788156_100000210776 [0,0,0,1,0,0|2,0,0]=3 7426 B11R1.757 C[C@H]1[C@H](CN1CCCCO)O 269982a_206633788156_100000210776 [0,0,0,1,0,0|2,0,0]=3 7427 B11R1.759 CCC1CN(C1)CCCCF 2230a_100015205115_100000729493 [0,0,0,1,0,0|3,0,0]=4 7428 B11R1.759 CCC1CN(C1)CCCCF 269982a_100015205115_100000729493 [0,0,0,1,0,0|3,0,0]=4 7429 B11R1.759 CCC1CN(C1)CCCCO 2230a_100015205115_100000210776 [0,0,0,1,0,0|3,0,0]=4 7430 B11R1.759 CCC1CN(C1)CCCCO 269982a_100015205115_100000210776 [0,0,0,1,0,0|3,0,0]=4 7431 B11R1.759 CCC1CN(C1)CCCOC 2230a_100015205115_100000740836 [0,0,0,1,0,0|3,0,0]=4 7432 B11R1.759 CCC1CN(C1)CCCOC 269982a_100015205115_100000740836 [0,0,0,1,0,0|3,0,0]=4 7433 B11R1.759 CCCCCN1CC(C1)CC 2230a_100015205115_100000210326 [0,0,0,1,0,0|2,0,0]=3 7434 B11R1.759 CCCCCN1CC(C1)CC 269982a_100015205115_100000210215 [0,0,0,1,0,0|2,0,0]=3 7435 B11R1.759 CCCCCN1CC(C1)CF 269982a_100010363649_100000210215 [0,0,0,1,0,0|3,0,0]=4 7436 B11R1.759 CCCCCN1CC(C1)CF 34a_100010363649_100000718602 [0,0,0,1,0,0|3,0,0]=4 7437 B11R1.759 CCCCCN1CC(C1)CO 269982a_100016987283_100000210215 [0,0,0,1,0,0|3,0,0]=4 7438 B11R1.759 CCCCCN1CC(C1)CO 34a_100016987283_100000718602 [0,0,0,1,0,0|3,0,0]=4 7439 B11R1.759 CCCCCN1CC(C1)OC 269982a_100000755009_100000210215 [0,0,0,1,0,0|3,0,0]=4 7440 B11R1.759 CCCCCN1CC(C1)SC 269982a_100016990038_100000210215 [0,0,0,1,0,0|3,0,0]=4 7441 B11R1.759 CCCCNC1CC(C1)CO 270004a_100000102301_100000101936 [0,0,0,1,0,0|3,0,0]=4 7442 B11R1.759 CCCCNC1CN(C1)CC 2230a_200015199589_100000210211 [0,0,0,1,0,0|3,0,0]=4 7443 B11R1.759 CCCCN[C@H]1C[C@@H](C1)OC 2230a_100121570643_100000210211 [0,0,0,1,0,0|3,0,0]=4 7444 B11R1.759 CCCCSC1CC(C1)CO 62a_100000210211_100009874164 [0,0,0,1,0,0|3,0,0]=4 7445 B11R1.759 CCCCSC1CC(C1)CO 62a_100009874164_100000210210 [0,0,0,1,0,0|3,0,0]=4 7446 B11R1.759 CCOCCN1CC(C1)CC 2230a_100015205115_100011215890 [0,0,0,1,0,0|3,0,0]=4 7447 B11R1.759 CCOCCN1CC(C1)CC 269982a_100015205115_100011215890 [0,0,0,1,0,0|3,0,0]=4 7448 B11R1.759 CCSCCN1CC(C1)CC 2230a_100015205115_100000757381 [0,0,0,1,0,0|3,0,0]=4 7449 B11R1.759 CCSCCN1CC(C1)CC 269982a_100015205115_100000757381 [0,0,0,1,0,0|3,0,0]=4 7450 B11R1.852 CC(CO)N1CCCCCC1 2230a_100000185865_100012180447 [0,0,0,1,0,0|3,0,0]=4 7451 B11R1.852 CC(CO)N1CCCCCC1 34a_100000185865_100012180447 [0,0,0,1,0,0|3,0,0]=4 7452 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000210414_100011217769 [0,0,0,1,0,0|0,0,2]=3 7453 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000749507_100000210202 [0,0,0,1,0,0|0,0,2]=3 7454 B11R1.852 CCC(=O)N1CCCCCC1 11a_100000185865_100000210414 [0,0,0,1,0,0|1,0,2]=4 7455 B11R1.852 CCC(=O)N1CCCCCC1 1626a_100000185865_100000210414 [0,0,0,1,0,0|1,0,2]=4 7456 B11R1.852 CCC(=O)N1CCCCCC1 240690a_100000185865_100000210414 [0,0,0,1,0,0|1,0,2]=4 7457 B11R1.852 CCC(=O)N1CCCCCC1 527a_100000185865_100000210414 [0,0,0,1,0,0|1,0,2]=4 7458 B11R1.852 CCC(C)N1CCCCCC1 2230a_100000185865_100000758301 [0,0,0,1,0,0|2,0,0]=3 7459 B11R1.852 CCC(C)N1CCCCCC1 269982a_100000185865_100000758301 [0,0,0,1,0,0|2,0,0]=3 7460 B11R1.852 CCC(C)N1CCCCCC1 34a_100000185865_100011215416 [0,0,0,1,0,0|2,0,0]=3 7461 B11R1.852 CCC(C)N1CCCOCC1 2230a_100000685342_100000758301 [0,0,0,1,0,0|3,0,0]=4 7462 B11R1.852 CCC(C)N1CCCOCC1 269982a_100000685342_100000758301 [0,0,0,1,0,0|3,0,0]=4 7463 B11R1.852 CCC(C)N1CCCOCC1 34a_100000685342_100011215416 [0,0,0,1,0,0|3,0,0]=4 7464 B11R1.852 CCN(C)C1CCCCCC1 2230a_100015185097_100000210202 [0,0,0,1,0,0|2,0,0]=3 7465 B11R1.852 CCN(C)C1CCCCCC1 2230a_114901603759_200000210301 [0,0,0,1,0,0|2,0,0]=3 7466 B11R1.852 CCN(C)C1CCCCCC1 269982a_100000225621_100011217769 [0,0,0,1,0,0|2,0,0]=3 7467 B11R1.852 CCN(C)C1CCCCCC1 269982a_100015185097_100000204670 [0,0,0,1,0,0|2,0,0]=3 7468 B11R1.852 CCN(C)C1CCCCCC1 269982a_114901603759_200000210301 [0,0,0,1,0,0|2,0,0]=3 7469 B11R1.852 CCN(C)C1CCCCCC1 34a_100015185097_100000210202 [0,0,0,1,0,0|2,0,0]=3 7470 B11R1.852 CCN(C)C1CCCCCC1 34a_114901603759_200000210301 [0,0,0,1,0,0|2,0,0]=3 7471 B11R1.852 CCN([13CH3])C1CCCCCC1 2230a_114901603759_200025704644 [0,0,0,1,0,0|2,0,0]=3 7472 B11R1.852 CCN([13CH3])C1CCCCCC1 269982a_114901603759_200025704644 [0,0,0,1,0,0|2,0,0]=3 7473 B11R1.852 CCN([13CH3])C1CCCCCC1 34a_114901603759_200025704644 [0,0,0,1,0,0|2,0,0]=3 7474 B11R1.852 CN(CF)C1CCCCCC1 269982a_100015185097_100015361967 [0,0,0,1,0,0|3,0,0]=4 7475 B11R1.852 CN(CF)C1CCCCCC1 34a_100015185097_100015361967 [0,0,0,1,0,0|3,0,0]=4 7476 B11R1.852 CNC(=O)C1CCCCCC1 11a_106832991635_100000749507 [0,0,0,1,0,0|1,0,2]=4 7477 B11R1.852 CNC(=O)C1CCCCCC1 1626a_100102657272_100000749507 [0,0,0,1,0,0|1,0,2]=4 7478 B11R1.852 CNC(=O)C1CCCCCC1 240690a_100102657272_100000749507 [0,0,0,1,0,0|1,0,2]=4 7479 B11R1.852 CNC(=O)C1CCCCCC1 527a_100102657272_100000749507 [0,0,0,1,0,0|1,0,2]=4 7480 B11R1.852 COC(C)N1CCCCCC1 269982a_100000185865_100009879195 [0,0,0,1,0,0|3,0,0]=4 7481 B11R1.852 C[C@H](CO)N1CCCCCC1 269982a_100000185865_100016084084 [0,0,0,1,0,0|3,0,0]=4 7482 B11R1.852 O=C(CF)C1CCCCCC1 1458a_100000749507_100015361967 [0,0,0,1,0,0|1,0,2]=4 7483 B11R1.852 O=C(CO)C1CCCCCC1 1458a_100000210174_100011217769 [0,0,0,1,0,0|1,0,2]=4 7484 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [2,0,0,0,0,0|1,0,0]=3 7485 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [2,0,0,0,0,0|1,0,0]=3 7486 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [2,0,0,0,0,0|1,0,0]=3 7487 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [2,0,0,0,0,0|1,0,0]=3 7488 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [2,0,0,0,0,0|1,0,0]=3 7489 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [2,0,0,0,0,0|1,0,0]=3 7490 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [2,0,0,0,0,0|1,0,0]=3 7491 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [2,0,0,0,0,0|1,0,0]=3 7492 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [2,0,0,0,0,0|1,0,0]=3 7493 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [2,0,0,0,0,0|1,0,0]=3 7494 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [2,0,0,0,0,0|1,0,0]=3 7495 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [2,0,0,0,0,0|1,0,0]=3 7496 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [2,0,0,0,0,0|1,0,0]=3 7497 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [2,0,0,0,0,0|1,0,0]=3 7498 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [2,0,0,0,0,0|1,0,0]=3 7499 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [2,0,0,0,0,0|1,0,0]=3 7500 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [2,0,0,0,0,0|1,0,0]=3 7501 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [2,0,0,0,0,0|1,0,0]=3 7502 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [2,0,0,0,0,0|1,0,0]=3 7503 B8R0.4 CCCCCCOCF 34a_100000210259_100015361967 [2,0,0,0,0,0|2,0,0]=4 7504 B8R0.4 CCCCCCOCF 7a_100000210259_100015361967 [2,0,0,0,0,0|2,0,0]=4 7505 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [2,0,0,0,0,0|1,0,0]=3 7506 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [2,0,0,0,0,0|1,0,0]=3 7507 B8R0.4 CCCCCCSCF 62a_100000210314_100015361967 [2,0,0,0,0,0|2,0,0]=4 7508 B8R0.4 CCCCCCSCF 62a_100015361967_100000210757 [2,0,0,0,0,0|2,0,0]=4 7509 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [2,0,0,0,0,0|1,0,0]=3 7510 B8R0.4 CCCCCNCCF 2230a_100000209983_100011217306 [2,0,0,0,0,0|2,0,0]=4 7511 B8R0.4 CCCCCNCCF 34a_100000724931_100000718602 [2,0,0,0,0,0|2,0,0]=4 7512 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [2,0,0,0,0,0|1,0,0]=3 7513 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [2,0,0,0,0,0|1,0,0]=3 7514 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [2,0,0,0,0,0|1,0,0]=3 7515 B8R0.4 CCCCCNCOC 2230a_100000209983_100000766300 [2,0,0,0,0,0|2,0,0]=4 7516 B8R0.4 CCCCCNCSC 2230a_100000209983_100011218213 [2,0,0,0,0,0|2,0,0]=4 7517 B8R0.4 CCCCCOCCBr 34a_100000211926_100000718602 [2,0,0,0,0,0|2,0,0]=4 7518 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [2,0,0,0,0,0|1,0,0]=3 7519 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [2,0,0,0,0,0|1,0,0]=3 7520 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [2,0,0,0,0,0|1,0,0]=3 7521 B8R0.4 CCCCCOCCF 34a_100000210253_100011217306 [2,0,0,0,0,0|2,0,0]=4 7522 B8R0.4 CCCCCOCCF 7a_100000210253_100011217306 [2,0,0,0,0,0|2,0,0]=4 7523 B8R0.4 CCCCCOCCN 34a_100000210304_100000718602 [2,0,0,0,0,0|2,0,0]=4 7524 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [2,0,0,0,0,0|1,0,0]=3 7525 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [2,0,0,0,0,0|1,0,0]=3 7526 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [2,0,0,0,0,0|2,0,0]=4 7527 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [2,0,0,0,0,0|1,0,0]=3 7528 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [2,0,0,0,0,0|1,0,0]=3 7529 B8R0.4 CCCCCSCCF 62a_100000210326_100011217306 [2,0,0,0,0,0|2,0,0]=4 7530 B8R0.4 CCCCCSCCF 62a_100011217306_100000210326 [2,0,0,0,0,0|2,0,0]=4 7531 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [2,0,0,0,0,0|1,0,0]=3 7532 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [2,0,0,0,0,0|1,0,0]=3 7533 B8R0.4 CCCCCSCOC 62a_100000210326_100000766300 [2,0,0,0,0,0|2,0,0]=4 7534 B8R0.4 CCCCCSCOC 62a_100000766300_100000210326 [2,0,0,0,0,0|2,0,0]=4 7535 B8R0.4 CCCCCSCSC 62a_100000210326_100011218213 [2,0,0,0,0,0|2,0,0]=4 7536 B8R0.4 CCCCCSCSC 62a_100011218213_100000210326 [2,0,0,0,0,0|2,0,0]=4 7537 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [2,0,0,0,0,0|1,0,0]=3 7538 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [2,0,0,0,0,0|1,0,0]=3 7539 B8R0.4 CCCCNCCCF 2230a_100000102301_100011934791 [2,0,0,0,0,0|2,0,0]=4 7540 B8R0.4 CCCCNCCCF 2230a_100015189416_100000210211 [2,0,0,0,0,0|2,0,0]=4 7541 B8R0.4 CCCCNCCCF 34a_100015189416_100000210210 [2,0,0,0,0,0|2,0,0]=4 7542 B8R0.4 CCCCNCCCF 7a_106832991798_100011934791 [2,0,0,0,0,0|2,0,0]=4 7543 B8R0.4 CCCCNCCCO 2230a_100000102301_100000230001 [2,0,0,0,0,0|1,0,0]=3 7544 B8R0.4 CCCCNCCCO 7a_106832991798_100011215043 [2,0,0,0,0,0|1,0,0]=3 7545 B8R0.4 CCCCNCCOC 2230a_100000102301_100011201679 [2,0,0,0,0,0|2,0,0]=4 7546 B8R0.4 CCCCNCCOC 2230a_100000209980_100000210211 [2,0,0,0,0,0|2,0,0]=4 7547 B8R0.4 CCCCNCCOC 7a_106832991798_100000233755 [2,0,0,0,0,0|2,0,0]=4 7548 B8R0.4 CCCCNCCSC 2230a_100000102301_100000751147 [2,0,0,0,0,0|2,0,0]=4 7549 B8R0.4 CCCCNCCSC 2230a_100020590264_100000210211 [2,0,0,0,0,0|2,0,0]=4 7550 B8R0.4 CCCCNCCSC 7a_106832991798_100000212216 [2,0,0,0,0,0|2,0,0]=4 7551 B8R0.4 CCCCOCCCBr 34a_100011217188_100000210210 [2,0,0,0,0,0|2,0,0]=4 7552 B8R0.4 CCCCOCCCC 34a_100000210227_100000210210 [2,0,0,0,0,0|1,0,0]=3 7553 B8R0.4 CCCCOCCCC 7a_100000210227_100000210211 [2,0,0,0,0,0|1,0,0]=3 7554 B8R0.4 CCCCOCCCCl 34a_100000230001_100000210210 [2,0,0,0,0,0|2,0,0]=4 7555 B8R0.4 CCCCOCCCF 34a_100000210227_100011934791 [2,0,0,0,0,0|2,0,0]=4 7556 B8R0.4 CCCCOCCCF 34a_100000759539_100000210210 [2,0,0,0,0,0|2,0,0]=4 7557 B8R0.4 CCCCOCCCF 7a_100000210227_100011934791 [2,0,0,0,0,0|2,0,0]=4 7558 B8R0.4 CCCCOCCCN 34a_100000182051_100000210210 [2,0,0,0,0,0|2,0,0]=4 7559 B8R0.4 CCCCOCCCO 34a_100000210227_100000230001 [2,0,0,0,0,0|1,0,0]=3 7560 B8R0.4 CCCCOCCCO 7a_100000210227_100011215043 [2,0,0,0,0,0|1,0,0]=3 7561 B8R0.4 CCCCOCCNC 2230a_106832991635_100000743108 [2,0,0,0,0,0|2,0,0]=4 7562 B8R0.4 CCCCOCCNC 34a_100102657272_100000743108 [2,0,0,0,0,0|2,0,0]=4 7563 B8R0.4 CCCCOCCNC 7a_106832991635_100000743108 [2,0,0,0,0,0|2,0,0]=4 7564 B8R0.4 CCCCOCCOC 34a_100000210227_100011201679 [2,0,0,0,0,0|2,0,0]=4 7565 B8R0.4 CCCCOCCOC 34a_100000210237_100000210210 [2,0,0,0,0,0|2,0,0]=4 7566 B8R0.4 CCCCOCCOC 34a_100000210238_200000210301 [2,0,0,0,0,0|2,0,0]=4 7567 B8R0.4 CCCCOCCOC 34a_100138415774_100000743108 [2,0,0,0,0,0|2,0,0]=4 7568 B8R0.4 CCCCOCCOC 7a_100000210227_100000233755 [2,0,0,0,0,0|2,0,0]=4 7569 B8R0.4 CCCCOCCOC 7a_100000210238_200000210301 [2,0,0,0,0,0|2,0,0]=4 7570 B8R0.4 CCCCOCCO[13CH3] 34a_100000210238_200025704644 [2,0,0,0,0,0|2,0,0]=4 7571 B8R0.4 CCCCOCCO[13CH3] 7a_100000210238_200025704644 [2,0,0,0,0,0|2,0,0]=4 7572 B8R0.4 CCCCOCCSC 34a_100000210227_100000212216 [2,0,0,0,0,0|2,0,0]=4 7573 B8R0.4 CCCCOCCSC 34a_100000230434_100000210210 [2,0,0,0,0,0|2,0,0]=4 7574 B8R0.4 CCCCOCCSC 62a_100000743108_200000210301 [2,0,0,0,0,0|2,0,0]=4 7575 B8R0.4 CCCCOCCSC 62a_200000210301_100000743108 [2,0,0,0,0,0|2,0,0]=4 7576 B8R0.4 CCCCOCCSC 7a_100000210227_100000212216 [2,0,0,0,0,0|2,0,0]=4 7577 B8R0.4 CCCCOCCSC 7a_100000230434_100000210211 [2,0,0,0,0,0|2,0,0]=4 7578 B8R0.4 CCCCOCCS[13CH3] 62a_100000743108_200025704644 [2,0,0,0,0,0|2,0,0]=4 7579 B8R0.4 CCCCOCCS[13CH3] 62a_200025704644_100000743108 [2,0,0,0,0,0|2,0,0]=4 7580 B8R0.4 CCCCOCNCC 2230a_100015525214_100011995733 [2,0,0,0,0,0|2,0,0]=4 7581 B8R0.4 CCCCOCOCC 34a_100121572206_100011995733 [2,0,0,0,0,0|2,0,0]=4 7582 B8R0.4 CCCCOCSCC 62a_100000210202_100011995733 [2,0,0,0,0,0|2,0,0]=4 7583 B8R0.4 CCCCOCSCC 62a_100011995733_100000210202 [2,0,0,0,0,0|2,0,0]=4 7584 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [2,0,0,0,0,0|1,0,0]=3 7585 B8R0.4 CCCCSCCCF 62a_100000210211_100011934791 [2,0,0,0,0,0|2,0,0]=4 7586 B8R0.4 CCCCSCCCF 62a_100011934791_100000210210 [2,0,0,0,0,0|2,0,0]=4 7587 B8R0.4 CCCCSCCCO 62a_100000210211_100011215043 [2,0,0,0,0,0|1,0,0]=3 7588 B8R0.4 CCCCSCCCO 62a_100011215043_100000210210 [2,0,0,0,0,0|1,0,0]=3 7589 B8R0.4 CCCCSCCNC 2230a_100025743550_200000210301 [2,0,0,0,0,0|2,0,0]=4 7590 B8R0.4 CCCCSCCN[13CH3] 2230a_100025743550_200025704644 [2,0,0,0,0,0|2,0,0]=4 7591 B8R0.4 CCCCSCCOC 34a_200000230436_200000210301 [2,0,0,0,0,0|2,0,0]=4 7592 B8R0.4 CCCCSCCOC 62a_100000210211_100000233755 [2,0,0,0,0,0|2,0,0]=4 7593 B8R0.4 CCCCSCCOC 62a_100000233755_100000210210 [2,0,0,0,0,0|2,0,0]=4 7594 B8R0.4 CCCCSCCOC 7a_200000230436_200000210301 [2,0,0,0,0,0|2,0,0]=4 7595 B8R0.4 CCCCSCCO[13CH3] 34a_200000230436_200025704644 [2,0,0,0,0,0|2,0,0]=4 7596 B8R0.4 CCCCSCCO[13CH3] 7a_200000230436_200025704644 [2,0,0,0,0,0|2,0,0]=4 7597 B8R0.4 CCCCSCCSC 62a_100000210211_100000751147 [2,0,0,0,0,0|2,0,0]=4 7598 B8R0.4 CCCCSCCSC 62a_100000212216_100000210210 [2,0,0,0,0,0|2,0,0]=4 7599 B8R0.4 CCCCSCOCC 62a_100000210211_100000739092 [2,0,0,0,0,0|2,0,0]=4 7600 B8R0.4 CCCCSCOCC 62a_100000739092_100000210210 [2,0,0,0,0,0|2,0,0]=4 7601 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [2,0,0,0,0,0|1,0,0]=3 7602 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [2,0,0,0,0,0|1,0,0]=3 7603 B8R0.4 CCCNCCCOC 34a_100150723488_100000210303 [2,0,0,0,0,0|2,0,0]=4 7604 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [2,0,0,0,0,0|2,0,0]=4 7605 B8R0.4 CCCNCCOCC 2230a_102516460346_100000210303 [2,0,0,0,0,0|2,0,0]=4 7606 B8R0.4 CCCNCCOCC 34a_102516460346_100000210303 [2,0,0,0,0,0|2,0,0]=4 7607 B8R0.4 CCCNCCSCC 2230a_100000106463_100000210303 [2,0,0,0,0,0|2,0,0]=4 7608 B8R0.4 CCCOCCCCBr 34a_100011216708_100000210303 [2,0,0,0,0,0|2,0,0]=4 7609 B8R0.4 CCCOCCCCCl 34a_100000210776_100000210303 [2,0,0,0,0,0|2,0,0]=4 7610 B8R0.4 CCCOCCCCCl 7a_100000210776_100000210303 [2,0,0,0,0,0|2,0,0]=4 7611 B8R0.4 CCCOCCCCF 34a_100000210258_100000729493 [2,0,0,0,0,0|2,0,0]=4 7612 B8R0.4 CCCOCCCCF 34a_100011995726_100000210303 [2,0,0,0,0,0|2,0,0]=4 7613 B8R0.4 CCCOCCCCF 7a_100011995726_100000210303 [2,0,0,0,0,0|2,0,0]=4 7614 B8R0.4 CCCOCCCCI 34a_200012148704_100000210303 [2,0,0,0,0,0|2,0,0]=4 7615 B8R0.4 CCCOCCCCN 34a_100000750430_100000210303 [2,0,0,0,0,0|2,0,0]=4 7616 B8R0.4 CCCOCCCCO 34a_100000210258_100011216708 [2,0,0,0,0,0|1,0,0]=3 7617 B8R0.4 CCCOCCCNC 2230a_100011217757_200000210301 [2,0,0,0,0,0|2,0,0]=4 7618 B8R0.4 CCCOCCCNC 34a_100000213112_100000210303 [2,0,0,0,0,0|2,0,0]=4 7619 B8R0.4 CCCOCCCNC 34a_100011217757_200000210301 [2,0,0,0,0,0|2,0,0]=4 7620 B8R0.4 CCCOCCCN[13CH3] 2230a_100011217757_200025704644 [2,0,0,0,0,0|2,0,0]=4 7621 B8R0.4 CCCOCCCN[13CH3] 34a_100011217757_200025704644 [2,0,0,0,0,0|2,0,0]=4 7622 B8R0.4 CCCOCCCOC 34a_100000210258_100000740836 [2,0,0,0,0,0|2,0,0]=4 7623 B8R0.4 CCCOCCCOC 34a_100000740835_100000210303 [2,0,0,0,0,0|2,0,0]=4 7624 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [2,0,0,0,0,0|2,0,0]=4 7625 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [2,0,0,0,0,0|2,0,0]=4 7626 B8R0.4 CCCOCCNCC 2230a_100015525214_100011215938 [2,0,0,0,0,0|2,0,0]=4 7627 B8R0.4 CCCOCCNCC 2230a_100161115042_100000210202 [2,0,0,0,0,0|2,0,0]=4 7628 B8R0.4 CCCOCCNCC 34a_100161115042_100000210202 [2,0,0,0,0,0|2,0,0]=4 7629 B8R0.4 CCCOCCOCC 34a_100000210136_100000210303 [2,0,0,0,0,0|2,0,0]=4 7630 B8R0.4 CCCOCCOCC 34a_100000210258_100000210147 [2,0,0,0,0,0|2,0,0]=4 7631 B8R0.4 CCCOCCOCC 34a_100000752267_100000210202 [2,0,0,0,0,0|2,0,0]=4 7632 B8R0.4 CCCOCCOCC 34a_100121572206_100011215938 [2,0,0,0,0,0|2,0,0]=4 7633 B8R0.4 CCCOCCOCC 7a_100000210136_100000210303 [2,0,0,0,0,0|2,0,0]=4 7634 B8R0.4 CCCOCCOCC 7a_100000752267_100000210202 [2,0,0,0,0,0|2,0,0]=4 7635 B8R0.4 CCCOCCSCC 34a_100000210258_100000757381 [2,0,0,0,0,0|2,0,0]=4 7636 B8R0.4 CCCOCCSCC 34a_100000212035_100000210303 [2,0,0,0,0,0|2,0,0]=4 7637 B8R0.4 CCCOCCSCC 62a_100000210202_100011215938 [2,0,0,0,0,0|2,0,0]=4 7638 B8R0.4 CCCOCCSCC 62a_100011215938_100000210202 [2,0,0,0,0,0|2,0,0]=4 7639 B8R0.4 CCCOCCSCC 7a_100000212035_100000210303 [2,0,0,0,0,0|2,0,0]=4 7640 B8R0.4 CCCSCCCCF 62a_100000210303_100000729493 [2,0,0,0,0,0|2,0,0]=4 7641 B8R0.4 CCCSCCCCF 62a_100000729493_100000210303 [2,0,0,0,0,0|2,0,0]=4 7642 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [2,0,0,0,0,0|1,0,0]=3 7643 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [2,0,0,0,0,0|1,0,0]=3 7644 B8R0.4 CCCSCCCOC 62a_100000210303_100000709357 [2,0,0,0,0,0|2,0,0]=4 7645 B8R0.4 CCCSCCCOC 62a_100000709357_100000210303 [2,0,0,0,0,0|2,0,0]=4 7646 B8R0.4 CCCSCCNCC 2230a_100020603323_100000210202 [2,0,0,0,0,0|2,0,0]=4 7647 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [2,0,0,0,0,0|2,0,0]=4 7648 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [2,0,0,0,0,0|2,0,0]=4 7649 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [2,0,0,0,0,0|2,0,0]=4 7650 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [2,0,0,0,0,0|2,0,0]=4 7651 B8R0.4 CCCSCCSCC 62a_100000210303_100000757381 [2,0,0,0,0,0|2,0,0]=4 7652 B8R0.4 CCCSCCSCC 62a_100000757381_100000210303 [2,0,0,0,0,0|2,0,0]=4 7653 B8R0.4 CCNCCCCCF 2230a_100015525214_100000729378 [2,0,0,0,0,0|2,0,0]=4 7654 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [2,0,0,0,0,0|1,0,0]=3 7655 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [2,0,0,0,0,0|1,0,0]=3 7656 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [2,0,0,0,0,0|1,0,0]=3 7657 B8R0.4 CCNCCCCOC 2230a_100015525214_100000730899 [2,0,0,0,0,0|2,0,0]=4 7658 B8R0.4 CCNCCCOCC 2230a_100000210961_100000210202 [2,0,0,0,0,0|2,0,0]=4 7659 B8R0.4 CCNCCCOCC 2230a_100015525214_100012232248 [2,0,0,0,0,0|2,0,0]=4 7660 B8R0.4 CCNCCCOCC 34a_100000210961_100000210202 [2,0,0,0,0,0|2,0,0]=4 7661 B8R0.4 CCNCCOCCO 2230a_100000211614_100000210202 [2,0,0,0,0,0|2,0,0]=4 7662 B8R0.4 CCNCCOCCO 2230a_100015525214_100011215305 [2,0,0,0,0,0|2,0,0]=4 7663 B8R0.4 CCNCCOCCO 34a_100000211614_100000210202 [2,0,0,0,0,0|2,0,0]=4 7664 B8R0.4 CCNCCSCCO 2230a_100011219999_100000210202 [2,0,0,0,0,0|2,0,0]=4 7665 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [2,0,0,0,0,0|2,0,0]=4 7666 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [2,0,0,0,0,0|2,0,0]=4 7667 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [2,0,0,0,0,0|2,0,0]=4 7668 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [2,0,0,0,0,0|2,0,0]=4 7669 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [2,0,0,0,0,0|2,0,0]=4 7670 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [2,0,0,0,0,0|2,0,0]=4 7671 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [2,0,0,0,0,0|2,0,0]=4 7672 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [2,0,0,0,0,0|2,0,0]=4 7673 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [2,0,0,0,0,0|1,0,0]=3 7674 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [2,0,0,0,0,0|2,0,0]=4 7675 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [2,0,0,0,0,0|2,0,0]=4 7676 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [2,0,0,0,0,0|2,0,0]=4 7677 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [2,0,0,0,0,0|2,0,0]=4 7678 B8R0.4 CCOCCCOCC 34a_100000757476_100000210202 [2,0,0,0,0,0|2,0,0]=4 7679 B8R0.4 CCOCCCOCC 34a_100121572206_100012232248 [2,0,0,0,0,0|2,0,0]=4 7680 B8R0.4 CCOCCCOCC 7a_100000757476_100000210202 [2,0,0,0,0,0|2,0,0]=4 7681 B8R0.4 CCOCCCSCC 34a_100011216438_100000210202 [2,0,0,0,0,0|2,0,0]=4 7682 B8R0.4 CCOCCCSCC 62a_100000210202_100012232248 [2,0,0,0,0,0|2,0,0]=4 7683 B8R0.4 CCOCCCSCC 62a_100012232248_100000210202 [2,0,0,0,0,0|2,0,0]=4 7684 B8R0.4 CCOCCCSCC 7a_100011216438_100000210202 [2,0,0,0,0,0|2,0,0]=4 7685 B8R0.4 CCOCCNCCO 2230a_100016997473_100011215890 [2,0,0,0,0,0|2,0,0]=4 7686 B8R0.4 CCOCCNCCO 2230a_102516460346_100000211926 [2,0,0,0,0,0|2,0,0]=4 7687 B8R0.4 CCOCCNCCO 34a_100016990907_100000210147 [2,0,0,0,0,0|2,0,0]=4 7688 B8R0.4 CCOCCNCCO 34a_102516460346_100000211926 [2,0,0,0,0,0|2,0,0]=4 7689 B8R0.4 CCOCCOCCO 34a_100000210136_100000211926 [2,0,0,0,0,0|2,0,0]=4 7690 B8R0.4 CCOCCOCCO 34a_100121572206_100000692535 [2,0,0,0,0,0|2,0,0]=4 7691 B8R0.4 CCOCCOCCO 7a_100000210136_100000211926 [2,0,0,0,0,0|2,0,0]=4 7692 B8R0.4 CCOCCSCCO 62a_100000210147_100000211926 [2,0,0,0,0,0|2,0,0]=4 7693 B8R0.4 CCOCCSCCO 62a_100000211926_100011215890 [2,0,0,0,0,0|2,0,0]=4 7694 B8R0.4 CCOCSCCCO 62a_100000739092_100011215043 [2,0,0,0,0,0|2,0,0]=4 7695 B8R0.4 CCOCSCCCO 62a_100011215043_100000739092 [2,0,0,0,0,0|2,0,0]=4 7696 B8R0.4 CCSCCCCCF 62a_100000210202_100000729378 [2,0,0,0,0,0|2,0,0]=4 7697 B8R0.4 CCSCCCCCF 62a_100000729378_100000210202 [2,0,0,0,0,0|2,0,0]=4 7698 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [2,0,0,0,0,0|1,0,0]=3 7699 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [2,0,0,0,0,0|1,0,0]=3 7700 B8R0.4 CCSCCCCOC 62a_100000210202_100000730899 [2,0,0,0,0,0|2,0,0]=4 7701 B8R0.4 CCSCCCCOC 62a_100000730899_100000210202 [2,0,0,0,0,0|2,0,0]=4 7702 B8R0.4 CCSCCNCCO 2230a_100000106463_100000211926 [2,0,0,0,0,0|2,0,0]=4 7703 B8R0.4 CCSCCNCCO 2230a_100016997473_100000757381 [2,0,0,0,0,0|2,0,0]=4 7704 B8R0.4 CCSCCNCCO 34a_100016990907_100000757381 [2,0,0,0,0,0|2,0,0]=4 7705 B8R0.4 CCSCCOCCO 34a_100000212035_100000211926 [2,0,0,0,0,0|2,0,0]=4 7706 B8R0.4 CCSCCOCCO 62a_100000210202_100011215305 [2,0,0,0,0,0|2,0,0]=4 7707 B8R0.4 CCSCCOCCO 62a_100011215305_100000210202 [2,0,0,0,0,0|2,0,0]=4 7708 B8R0.4 CCSCCOCCO 7a_100000212035_100000211926 [2,0,0,0,0,0|2,0,0]=4 7709 B8R0.4 CCSCCSCCO 62a_100000211926_100000757381 [2,0,0,0,0,0|2,0,0]=4 7710 B8R0.4 CCSCCSCCO 62a_100000757381_100000211926 [2,0,0,0,0,0|2,0,0]=4 7711 B8R0.4 CNCCCCCCF 2230a_106832991635_100015922095 [2,0,0,0,0,0|2,0,0]=4 7712 B8R0.4 CNCCCCCCF 34a_100102657272_100015922095 [2,0,0,0,0,0|2,0,0]=4 7713 B8R0.4 CNCCCCCCF 7a_106832991635_100015922095 [2,0,0,0,0,0|2,0,0]=4 7714 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [2,0,0,0,0,0|1,0,0]=3 7715 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [2,0,0,0,0,0|1,0,0]=3 7716 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [2,0,0,0,0,0|1,0,0]=3 7717 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [2,0,0,0,0,0|1,0,0]=3 7718 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [2,0,0,0,0,0|1,0,0]=3 7719 B8R0.4 CNCCCCCOC 2230a_100000747528_200000210301 [2,0,0,0,0,0|2,0,0]=4 7720 B8R0.4 CNCCCCCOC 34a_100000722520_200000210301 [2,0,0,0,0,0|2,0,0]=4 7721 B8R0.4 CNCCCCCOC 34a_100000747528_200000210301 [2,0,0,0,0,0|2,0,0]=4 7722 B8R0.4 CNCCCCCO[13CH3] 34a_100000722520_200025704644 [2,0,0,0,0,0|2,0,0]=4 7723 B8R0.4 CNCCCOCCO 34a_100000213112_100000211926 [2,0,0,0,0,0|2,0,0]=4 7724 B8R0.4 COCCCCCCBr 34a_100011215345_200000210301 [2,0,0,0,0,0|2,0,0]=4 7725 B8R0.4 COCCCCCCBr 7a_100011215345_200000210301 [2,0,0,0,0,0|2,0,0]=4 7726 B8R0.4 COCCCCCCCl 34a_100000766143_200000210301 [2,0,0,0,0,0|2,0,0]=4 7727 B8R0.4 COCCCCCCCl 7a_100000766143_200000210301 [2,0,0,0,0,0|2,0,0]=4 7728 B8R0.4 COCCCCCCF 34a_100000732779_200000210301 [2,0,0,0,0,0|2,0,0]=4 7729 B8R0.4 COCCCCCCF 34a_100138415774_100015922095 [2,0,0,0,0,0|2,0,0]=4 7730 B8R0.4 COCCCCCCF 7a_100000732779_200000210301 [2,0,0,0,0,0|2,0,0]=4 7731 B8R0.4 COCCCCCCN 34a_100000686447_200000210301 [2,0,0,0,0,0|2,0,0]=4 7732 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [2,0,0,0,0,0|1,0,0]=3 7733 B8R0.4 COCCCCCN[13CH3] 2230a_100000747528_200025704644 [2,0,0,0,0,0|2,0,0]=4 7734 B8R0.4 COCCCCCN[13CH3] 34a_100000747528_200025704644 [2,0,0,0,0,0|2,0,0]=4 7735 B8R0.4 COCCCNCCO 2230a_100016997473_100000740836 [2,0,0,0,0,0|2,0,0]=4 7736 B8R0.4 COCCCNCCO 34a_100016990907_100000740836 [2,0,0,0,0,0|2,0,0]=4 7737 B8R0.4 COCCCNCCO 34a_100150723488_100000211926 [2,0,0,0,0,0|2,0,0]=4 7738 B8R0.4 COCCCOCCO 34a_100000740835_100000211926 [2,0,0,0,0,0|2,0,0]=4 7739 B8R0.4 COCCCSCCO 62a_100000211926_100000709357 [2,0,0,0,0,0|2,0,0]=4 7740 B8R0.4 COCCCSCCO 62a_100000709357_100000211926 [2,0,0,0,0,0|2,0,0]=4 7741 B8R0.4 COCCNCCCO 2230a_100000209980_100000230001 [2,0,0,0,0,0|2,0,0]=4 7742 B8R0.4 COCCOCCCO 34a_100000210237_100000230001 [2,0,0,0,0,0|2,0,0]=4 7743 B8R0.4 COCCSCCCO 62a_100000233755_100011215043 [2,0,0,0,0,0|2,0,0]=4 7744 B8R0.4 COCCSCCCO 62a_100011215043_100000233755 [2,0,0,0,0,0|2,0,0]=4 7745 B8R0.4 COCNCCCCO 2230a_100000750430_100000766300 [2,0,0,0,0,0|2,0,0]=4 7746 B8R0.4 COCSCCCCO 62a_100000210776_100000766300 [2,0,0,0,0,0|2,0,0]=4 7747 B8R0.4 COCSCCCCO 62a_100000766300_100000210776 [2,0,0,0,0,0|2,0,0]=4 7748 B8R0.4 CSCCCCCCF 62a_100015922095_200000210301 [2,0,0,0,0,0|2,0,0]=4 7749 B8R0.4 CSCCCCCCF 62a_200000210301_100015922095 [2,0,0,0,0,0|2,0,0]=4 7750 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [2,0,0,0,0,0|1,0,0]=3 7751 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [2,0,0,0,0,0|1,0,0]=3 7752 B8R0.4 CSCCCNCCO 2230a_100000749238_100000211926 [2,0,0,0,0,0|2,0,0]=4 7753 B8R0.4 CSCCCOCCO 34a_100000690336_100000211926 [2,0,0,0,0,0|2,0,0]=4 7754 B8R0.4 CSCCCOCCO 7a_100000690336_100000211926 [2,0,0,0,0,0|2,0,0]=4 7755 B8R0.4 CSCCNCCCO 2230a_100020590264_100000230001 [2,0,0,0,0,0|2,0,0]=4 7756 B8R0.4 CSCCOCCCO 34a_100000230434_100000230001 [2,0,0,0,0,0|2,0,0]=4 7757 B8R0.4 CSCCOCCCO 7a_100000230434_100011215043 [2,0,0,0,0,0|2,0,0]=4 7758 B8R0.4 CSCCSCCCO 62a_100000212216_100011215043 [2,0,0,0,0,0|2,0,0]=4 7759 B8R0.4 CSCCSCCCO 62a_100011215043_100000751147 [2,0,0,0,0,0|2,0,0]=4 7760 B8R0.4 CSCNCCCCO 2230a_100000750430_100011218213 [2,0,0,0,0,0|2,0,0]=4 7761 B8R0.4 CSCNCCCCO 34a_100000750430_100011218213 [2,0,0,0,0,0|2,0,0]=4 7762 B8R0.4 CSCSCCCCO 62a_100000210776_100011218213 [2,0,0,0,0,0|2,0,0]=4 7763 B8R0.4 CSCSCCCCO 62a_100011218213_100000210776 [2,0,0,0,0,0|2,0,0]=4 7764 B8R0.4 NCCCCOCCO 34a_100000750430_100000211926 [2,0,0,0,0,0|2,0,0]=4 7765 B8R0.4 NCCCOCCCO 34a_100000182051_100000230001 [2,0,0,0,0,0|2,0,0]=4 7766 B8R0.4 NCCOCCCCO 34a_100000210304_100011216708 [2,0,0,0,0,0|2,0,0]=4 7767 B8R0.4 OCCCCCNCF 34a_100000762737_100015361967 [2,0,0,0,0,0|2,0,0]=4 7768 B8R0.4 OCCCCCSCF 62a_100000746330_100015361967 [2,0,0,0,0,0|2,0,0]=4 7769 B8R0.4 OCCCCCSCF 62a_100015361967_100000746330 [2,0,0,0,0,0|2,0,0]=4 7770 B8R0.4 OCCCCNCCF 2230a_100000750430_100011217306 [2,0,0,0,0,0|2,0,0]=4 7771 B8R0.4 OCCCCNCCF 34a_100000724931_100011216708 [2,0,0,0,0,0|2,0,0]=4 7772 B8R0.4 OCCCCNCCF 34a_100000750430_100011217306 [2,0,0,0,0,0|2,0,0]=4 7773 B8R0.4 OCCCCNCCO 2230a_100000750430_100000211926 [2,0,0,0,0,0|2,0,0]=4 7774 B8R0.4 OCCCCNCCO 2230a_100016997473_100000210776 [2,0,0,0,0,0|2,0,0]=4 7775 B8R0.4 OCCCCNCCO 34a_100000750430_100000211926 [2,0,0,0,0,0|2,0,0]=4 7776 B8R0.4 OCCCCNCCO 34a_100016990907_100011216708 [2,0,0,0,0,0|2,0,0]=4 7777 B8R0.4 OCCCCOCCBr 34a_100000211926_100011216708 [2,0,0,0,0,0|2,0,0]=4 7778 B8R0.4 OCCCCSCCF 62a_100000210776_100011217306 [2,0,0,0,0,0|2,0,0]=4 7779 B8R0.4 OCCCCSCCF 62a_100011217306_100000210776 [2,0,0,0,0,0|2,0,0]=4 7780 B8R0.4 OCCCCSCCO 62a_100000210776_100000211926 [2,0,0,0,0,0|2,0,0]=4 7781 B8R0.4 OCCCCSCCO 62a_100000211926_100000210776 [2,0,0,0,0,0|2,0,0]=4 7782 B8R0.4 OCCCNCCCF 2230a_100015189416_100000230001 [2,0,0,0,0,0|2,0,0]=4 7783 B8R0.4 OCCCNCCCF 34a_100015189416_100000230001 [2,0,0,0,0,0|2,0,0]=4 7784 B8R0.4 OCCCOCCCBr 34a_100011217188_100000230001 [2,0,0,0,0,0|2,0,0]=4 7785 B8R0.4 OCCCOCCCCl 34a_100000230001_100000230001 [2,0,0,0,0,0|2,0,0]=4 7786 B8R0.4 OCCCOCCCF 34a_100000759539_100000230001 [2,0,0,0,0,0|2,0,0]=4 7787 B8R0.4 OCCCSCCCF 62a_100011215043_100011934791 [2,0,0,0,0,0|2,0,0]=4 7788 B8R0.4 OCCCSCCCF 62a_100011934791_100011215043 [2,0,0,0,0,0|2,0,0]=4 7789 B8R0.4 OCCCSCCCO 62a_100011215043_100011215043 [2,0,0,0,0,0|2,0,0]=4 7790 B8R0.4 OCCNCCCCF 2230a_100016997473_100000729493 [2,0,0,0,0,0|2,0,0]=4 7791 B8R0.4 OCCNCCCCF 34a_100016990907_100000729493 [2,0,0,0,0,0|2,0,0]=4 7792 B8R0.4 OCCOCCCCBr 34a_100011216708_100000211926 [2,0,0,0,0,0|2,0,0]=4 7793 B8R0.4 OCCOCCCCCl 34a_100000210776_100000211926 [2,0,0,0,0,0|2,0,0]=4 7794 B8R0.4 OCCOCCCCCl 7a_100000210776_100000211926 [2,0,0,0,0,0|2,0,0]=4 7795 B8R0.4 OCCOCCCCF 34a_100011995726_100000211926 [2,0,0,0,0,0|2,0,0]=4 7796 B8R0.4 OCCOCCCCF 7a_100011995726_100000211926 [2,0,0,0,0,0|2,0,0]=4 7797 B8R0.4 OCCOCCCCI 34a_200012148704_100000211926 [2,0,0,0,0,0|2,0,0]=4 7798 B8R0.4 OCCSCCCCF 62a_100000211926_100000729493 [2,0,0,0,0,0|2,0,0]=4 7799 B8R0.4 OCCSCCCCF 62a_100000729493_100000211926 [2,0,0,0,0,0|2,0,0]=4 7800 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [2,0,0,0,0,0|1,0,0]=3 7801 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [2,0,0,0,0,0|1,0,0]=3 7802 B8R0.4 [13CH3]OCCCCCCBr 34a_100011215345_200025704644 [2,0,0,0,0,0|2,0,0]=4 7803 B8R0.4 [13CH3]OCCCCCCBr 7a_100011215345_200025704644 [2,0,0,0,0,0|2,0,0]=4 7804 B8R0.4 [13CH3]OCCCCCCCl 34a_100000766143_200025704644 [2,0,0,0,0,0|2,0,0]=4 7805 B8R0.4 [13CH3]OCCCCCCCl 7a_100000766143_200025704644 [2,0,0,0,0,0|2,0,0]=4 7806 B8R0.4 [13CH3]OCCCCCCF 34a_100000732779_200025704644 [2,0,0,0,0,0|2,0,0]=4 7807 B8R0.4 [13CH3]OCCCCCCF 7a_100000732779_200025704644 [2,0,0,0,0,0|2,0,0]=4 7808 B8R0.4 [13CH3]OCCCCCCN 34a_100000686447_200025704644 [2,0,0,0,0,0|2,0,0]=4 7809 B8R0.4 [13CH3]SCCCCCCF 62a_100015922095_200025704644 [2,0,0,0,0,0|2,0,0]=4 7810 B8R0.4 [13CH3]SCCCCCCF 62a_200025704644_100015922095 [2,0,0,0,0,0|2,0,0]=4 7811 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [2,0,0,0,0,0|1,0,0]=3 7812 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [2,0,0,0,0,0|1,0,0]=3 7813 B8R0.7 CC(C)CCCCO[13CH3] 34a_100011214890_200025704644 [2,0,0,0,0,0|2,0,0]=4 7814 B8R0.7 CC(C)CCCCO[13CH3] 7a_100011214890_200025704644 [2,0,0,0,0,0|2,0,0]=4 7815 B8R0.7 CC(C)CCCCS[13CH3] 62a_100011216152_200025704644 [2,0,0,0,0,0|2,0,0]=4 7816 B8R0.7 CC(C)CCCCS[13CH3] 62a_200025704644_100011216152 [2,0,0,0,0,0|2,0,0]=4 7817 B8R0.7 CC(O)CCCSCF 62a_100015361967_200000718107 [2,0,0,0,0,0|2,0,0]=4 7818 B8R0.7 CC(O)CCCSCF 62a_200000718107_100015361967 [2,0,0,0,0,0|2,0,0]=4 7819 B8R0.7 CC(O)CCNCCF 2230a_200000755665_100011217306 [2,0,0,0,0,0|2,0,0]=4 7820 B8R0.7 CC(O)CCNCCF 34a_100000724931_100012276601 [2,0,0,0,0,0|2,0,0]=4 7821 B8R0.7 CC(O)CCNCCO 2230a_100016997473_100012276601 [2,0,0,0,0,0|2,0,0]=4 7822 B8R0.7 CC(O)CCNCCO 2230a_200000755665_100000211926 [2,0,0,0,0,0|2,0,0]=4 7823 B8R0.7 CC(O)CCNCCO 34a_100016990907_100012276601 [2,0,0,0,0,0|2,0,0]=4 7824 B8R0.7 CC(O)CCOCCBr 34a_100000211926_100012276601 [2,0,0,0,0,0|2,0,0]=4 7825 B8R0.7 CC(O)CCOCCN 34a_100000210304_100012276601 [2,0,0,0,0,0|2,0,0]=4 7826 B8R0.7 CC(O)CCSCCF 62a_100011217306_100012276601 [2,0,0,0,0,0|2,0,0]=4 7827 B8R0.7 CC(O)CCSCCF 62a_100012276601_100011217306 [2,0,0,0,0,0|2,0,0]=4 7828 B8R0.7 CC(O)CCSCCO 62a_100000211926_100012276601 [2,0,0,0,0,0|2,0,0]=4 7829 B8R0.7 CC(O)CCSCCO 62a_100012276601_100000211926 [2,0,0,0,0,0|2,0,0]=4 7830 B8R0.7 CC(O)CNCCCF 2230a_100000210904_100011934791 [2,0,0,0,0,0|2,0,0]=4 7831 B8R0.7 CC(O)CNCCCF 2230a_100015189416_100011218427 [2,0,0,0,0,0|2,0,0]=4 7832 B8R0.7 CC(O)CNCCCF 34a_100000210904_100011934791 [2,0,0,0,0,0|2,0,0]=4 7833 B8R0.7 CC(O)CNCCCF 34a_100015189416_100011218427 [2,0,0,0,0,0|2,0,0]=4 7834 B8R0.7 CC(O)CNCCCO 2230a_100000210904_100000230001 [2,0,0,0,0,0|2,0,0]=4 7835 B8R0.7 CC(O)CNCCCO 34a_100000210904_100000230001 [2,0,0,0,0,0|2,0,0]=4 7836 B8R0.7 CC(O)COCCCBr 34a_100011217188_100011218427 [2,0,0,0,0,0|2,0,0]=4 7837 B8R0.7 CC(O)COCCCCl 34a_100000230001_100011218427 [2,0,0,0,0,0|2,0,0]=4 7838 B8R0.7 CC(O)COCCCF 34a_100000759539_100011218427 [2,0,0,0,0,0|2,0,0]=4 7839 B8R0.7 CC(O)COCCCN 34a_100000182051_100011218427 [2,0,0,0,0,0|2,0,0]=4 7840 B8R0.7 CC(O)CSCCCF 62a_100011218427_100011934791 [2,0,0,0,0,0|2,0,0]=4 7841 B8R0.7 CC(O)CSCCCF 62a_100011934791_100011218427 [2,0,0,0,0,0|2,0,0]=4 7842 B8R0.7 CC(O)CSCCCO 62a_100011215043_100011218427 [2,0,0,0,0,0|2,0,0]=4 7843 B8R0.7 CC(O)CSCCCO 62a_100011218427_100011215043 [2,0,0,0,0,0|2,0,0]=4 7844 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [2,0,0,0,0,0|0,0,2]=4 7845 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [2,0,0,0,0,0|0,0,2]=4 7846 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [2,0,0,0,0,0|0,0,2]=4 7847 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [2,0,0,0,0,0|2,0,0]=4 7848 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [2,0,0,0,0,0|2,0,0]=4 7849 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [2,0,0,0,0,0|2,0,0]=4 7850 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [2,0,0,0,0,0|2,0,0]=4 7851 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [2,0,0,0,0,0|2,0,0]=4 7852 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [2,0,0,0,0,0|2,0,0]=4 7853 B8R0.7 CCCCCNC(C)C 2230a_100000209983_100000210206 [2,0,0,0,0,0|2,0,0]=4 7854 B8R0.7 CCCCCNC(C)C 2230a_100138425928_100000210326 [2,0,0,0,0,0|2,0,0]=4 7855 B8R0.7 CCCCCNC(C)C 34a_100138425928_100000718602 [2,0,0,0,0,0|2,0,0]=4 7856 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [2,0,0,0,0,0|2,0,0]=4 7857 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [2,0,0,0,0,0|2,0,0]=4 7858 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [2,0,0,0,0,0|2,0,0]=4 7859 B8R0.7 CCCCCSC(C)C 62a_100000210206_100000210326 [2,0,0,0,0,0|2,0,0]=4 7860 B8R0.7 CCCCCSC(C)C 62a_100000210326_100000210206 [2,0,0,0,0,0|2,0,0]=4 7861 B8R0.7 CCCCNCC(C)C 2230a_100000102301_100000210760 [2,0,0,0,0,0|2,0,0]=4 7862 B8R0.7 CCCCNCC(C)C 2230a_100000210953_100000210211 [2,0,0,0,0,0|2,0,0]=4 7863 B8R0.7 CCCCNCC(C)C 270004a_100000102301_100000210432 [2,0,0,0,0,0|2,0,0]=4 7864 B8R0.7 CCCCNCC(C)C 34a_100000210953_100000210210 [2,0,0,0,0,0|2,0,0]=4 7865 B8R0.7 CCCCNCC(C)C 7a_106832991798_100000210760 [2,0,0,0,0,0|2,0,0]=4 7866 B8R0.7 CCCCNCC(C)O 2230a_100000102301_100011218427 [2,0,0,0,0,0|1,0,0]=3 7867 B8R0.7 CCCCNCC(C)O 2230a_100000210904_100000210211 [2,0,0,0,0,0|1,0,0]=3 7868 B8R0.7 CCCCNCC(C)O 34a_100000210904_100000210210 [2,0,0,0,0,0|1,0,0]=3 7869 B8R0.7 CCCCNCC(C)O 7a_106832991798_100011218427 [2,0,0,0,0,0|1,0,0]=3 7870 B8R0.7 CCCCNC[C@@H](C)O 2230a_100000102301_100009817552 [2,0,0,0,0,0|1,0,0]=3 7871 B8R0.7 CCCCNC[C@@H](C)O 7a_106832991798_100009817552 [2,0,0,0,0,0|1,0,0]=3 7872 B8R0.7 CCCCOCC(C)Br 34a_100012180447_100000210210 [2,0,0,0,0,0|2,0,0]=4 7873 B8R0.7 CCCCOCC(C)C 34a_100000210227_100000210624 [2,0,0,0,0,0|2,0,0]=4 7874 B8R0.7 CCCCOCC(C)C 34a_100000210257_100000210210 [2,0,0,0,0,0|2,0,0]=4 7875 B8R0.7 CCCCOCC(C)C 7a_100000210227_100000210760 [2,0,0,0,0,0|2,0,0]=4 7876 B8R0.7 CCCCOCC(C)F 34a_100015925927_100000210210 [2,0,0,0,0,0|2,0,0]=4 7877 B8R0.7 CCCCOCC(C)O 34a_100000210227_100011218427 [2,0,0,0,0,0|1,0,0]=3 7878 B8R0.7 CCCCOCC(C)O 7a_100000210227_100011218427 [2,0,0,0,0,0|1,0,0]=3 7879 B8R0.7 CCCCOC[C@@H](C)Cl 34a_100016084084_100000210210 [2,0,0,0,0,0|2,0,0]=4 7880 B8R0.7 CCCCOC[C@@H](C)N 34a_100000737577_100000210210 [2,0,0,0,0,0|2,0,0]=4 7881 B8R0.7 CCCCOC[C@@H](C)O 34a_100000210227_100009817552 [2,0,0,0,0,0|1,0,0]=3 7882 B8R0.7 CCCCOC[C@@H](C)O 7a_100000210227_100009817552 [2,0,0,0,0,0|1,0,0]=3 7883 B8R0.7 CCCCSCC(C)C 62a_100000210211_100000210760 [2,0,0,0,0,0|2,0,0]=4 7884 B8R0.7 CCCCSCC(C)C 62a_100000210624_100000210210 [2,0,0,0,0,0|2,0,0]=4 7885 B8R0.7 CCCCSCC(C)O 62a_100000210211_100011218427 [2,0,0,0,0,0|1,0,0]=3 7886 B8R0.7 CCCCSCC(C)O 62a_100011218427_100000210210 [2,0,0,0,0,0|1,0,0]=3 7887 B8R0.7 CCCCSC[C@@H](C)O 62a_100000210211_100009817552 [2,0,0,0,0,0|1,0,0]=3 7888 B8R0.7 CCCCSC[C@@H](C)O 62a_100009817552_100000210210 [2,0,0,0,0,0|1,0,0]=3 7889 B8R0.7 CCCNCCC(C)C 269862a_100020643023_100000185833 [2,0,0,0,0,0|2,0,0]=4 7890 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [2,0,0,0,0,0|1,0,0]=3 7891 B8R0.7 CCCOCCC(C)Br 34a_100009893172_100000210303 [2,0,0,0,0,0|2,0,0]=4 7892 B8R0.7 CCCOCCC(C)C 34a_100000210254_100000210303 [2,0,0,0,0,0|2,0,0]=4 7893 B8R0.7 CCCOCCC(C)C 34a_100000210258_100000210312 [2,0,0,0,0,0|2,0,0]=4 7894 B8R0.7 CCCOCCC(C)C 7a_100000210254_100000210303 [2,0,0,0,0,0|2,0,0]=4 7895 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [2,0,0,0,0,0|1,0,0]=3 7896 B8R0.7 CCCOCC[C@@H](C)N 34a_100000706166_100000210303 [2,0,0,0,0,0|2,0,0]=4 7897 B8R0.7 CCCSCCC(C)C 62a_100000210303_100000210312 [2,0,0,0,0,0|2,0,0]=4 7898 B8R0.7 CCCSCCC(C)C 62a_100000210312_100000210303 [2,0,0,0,0,0|2,0,0]=4 7899 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [2,0,0,0,0,0|1,0,0]=3 7900 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [2,0,0,0,0,0|1,0,0]=3 7901 B8R0.7 CCNCCCC(C)C 2230a_100015525214_100011214892 [2,0,0,0,0,0|2,0,0]=4 7902 B8R0.7 CCNCCCC(C)C 2230a_200000737386_100000210202 [2,0,0,0,0,0|2,0,0]=4 7903 B8R0.7 CCNCCCC(C)C 34a_200000737386_100000210202 [2,0,0,0,0,0|2,0,0]=4 7904 B8R0.7 CCNCCCC(C)O 2230a_100015525214_200000718107 [2,0,0,0,0,0|1,0,0]=3 7905 B8R0.7 CCOCCCC(C)C 34a_100000210774_100000210202 [2,0,0,0,0,0|2,0,0]=4 7906 B8R0.7 CCOCCCC(C)C 34a_100121572206_100011214892 [2,0,0,0,0,0|2,0,0]=4 7907 B8R0.7 CCOCCCC(C)C 7a_100000210774_100000210202 [2,0,0,0,0,0|2,0,0]=4 7908 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [2,0,0,0,0,0|1,0,0]=3 7909 B8R0.7 CCOCSCC(C)O 62a_100000739092_100011218427 [2,0,0,0,0,0|2,0,0]=4 7910 B8R0.7 CCOCSCC(C)O 62a_100011218427_100000739092 [2,0,0,0,0,0|2,0,0]=4 7911 B8R0.7 CCOCSC[C@@H](C)O 62a_100000739092_100009817552 [2,0,0,0,0,0|2,0,0]=4 7912 B8R0.7 CCOCSC[C@@H](C)O 62a_100009817552_100000739092 [2,0,0,0,0,0|2,0,0]=4 7913 B8R0.7 CCSCCCC(C)C 62a_100000210202_100011214892 [2,0,0,0,0,0|2,0,0]=4 7914 B8R0.7 CCSCCCC(C)C 62a_100011214892_100000210202 [2,0,0,0,0,0|2,0,0]=4 7915 B8R0.7 CCSCCCC(C)O 62a_100000210202_200000718107 [2,0,0,0,0,0|1,0,0]=3 7916 B8R0.7 CCSCCCC(C)O 62a_200000718107_100000210202 [2,0,0,0,0,0|1,0,0]=3 7917 B8R0.7 CNCCCCC(C)C 2230a_106832991635_100011216152 [2,0,0,0,0,0|2,0,0]=4 7918 B8R0.7 CNCCCCC(C)C 34a_100102657272_100011216152 [2,0,0,0,0,0|2,0,0]=4 7919 B8R0.7 CNCCCCC(C)C 7a_106832991635_100011216152 [2,0,0,0,0,0|2,0,0]=4 7920 B8R0.7 COCCCCC(C)C 34a_100011214890_200000210301 [2,0,0,0,0,0|2,0,0]=4 7921 B8R0.7 COCCCCC(C)C 34a_100138415774_100011216152 [2,0,0,0,0,0|2,0,0]=4 7922 B8R0.7 COCCCCC(C)C 7a_100011214890_200000210301 [2,0,0,0,0,0|2,0,0]=4 7923 B8R0.7 COCCNCC(C)O 2230a_100000209980_100011218427 [2,0,0,0,0,0|2,0,0]=4 7924 B8R0.7 COCCNCC(C)O 2230a_100000210904_100011201679 [2,0,0,0,0,0|2,0,0]=4 7925 B8R0.7 COCCNCC(C)O 34a_100000210904_100011201679 [2,0,0,0,0,0|2,0,0]=4 7926 B8R0.7 COCCNC[C@@H](C)O 2230a_100000209980_100009817552 [2,0,0,0,0,0|2,0,0]=4 7927 B8R0.7 COCCOCC(C)O 34a_100000210237_100011218427 [2,0,0,0,0,0|2,0,0]=4 7928 B8R0.7 COCCOC[C@@H](C)O 34a_100000210237_100009817552 [2,0,0,0,0,0|2,0,0]=4 7929 B8R0.7 COCCSCC(C)O 62a_100000233755_100011218427 [2,0,0,0,0,0|2,0,0]=4 7930 B8R0.7 COCCSCC(C)O 62a_100011218427_100000233755 [2,0,0,0,0,0|2,0,0]=4 7931 B8R0.7 COCCSC[C@@H](C)O 62a_100000233755_100009817552 [2,0,0,0,0,0|2,0,0]=4 7932 B8R0.7 COCCSC[C@@H](C)O 62a_100009817552_100000233755 [2,0,0,0,0,0|2,0,0]=4 7933 B8R0.7 COCNCCC(C)O 2230a_200000755665_100000766300 [2,0,0,0,0,0|2,0,0]=4 7934 B8R0.7 COCSCCC(C)O 62a_100000766300_100012276601 [2,0,0,0,0,0|2,0,0]=4 7935 B8R0.7 COCSCCC(C)O 62a_100012276601_100000766300 [2,0,0,0,0,0|2,0,0]=4 7936 B8R0.7 CSCCCCC(C)C 62a_100011216152_200000210301 [2,0,0,0,0,0|2,0,0]=4 7937 B8R0.7 CSCCCCC(C)C 62a_200000210301_100011216152 [2,0,0,0,0,0|2,0,0]=4 7938 B8R0.7 CSCCNCC(C)O 2230a_100000210904_100000751147 [2,0,0,0,0,0|2,0,0]=4 7939 B8R0.7 CSCCNCC(C)O 2230a_100020590264_100011218427 [2,0,0,0,0,0|2,0,0]=4 7940 B8R0.7 CSCCNCC(C)O 34a_100000210904_100000212216 [2,0,0,0,0,0|2,0,0]=4 7941 B8R0.7 CSCCNC[C@@H](C)O 2230a_100020590264_100009817552 [2,0,0,0,0,0|2,0,0]=4 7942 B8R0.7 CSCCOCC(C)O 34a_100000230434_100011218427 [2,0,0,0,0,0|2,0,0]=4 7943 B8R0.7 CSCCOCC(C)O 7a_100000230434_100011218427 [2,0,0,0,0,0|2,0,0]=4 7944 B8R0.7 CSCCOC[C@@H](C)O 34a_100000230434_100009817552 [2,0,0,0,0,0|2,0,0]=4 7945 B8R0.7 CSCCOC[C@@H](C)O 7a_100000230434_100009817552 [2,0,0,0,0,0|2,0,0]=4 7946 B8R0.7 CSCCSCC(C)O 62a_100000212216_100011218427 [2,0,0,0,0,0|2,0,0]=4 7947 B8R0.7 CSCCSCC(C)O 62a_100011218427_100000751147 [2,0,0,0,0,0|2,0,0]=4 7948 B8R0.7 CSCCSC[C@@H](C)O 62a_100000212216_100009817552 [2,0,0,0,0,0|2,0,0]=4 7949 B8R0.7 CSCCSC[C@@H](C)O 62a_100009817552_100000751147 [2,0,0,0,0,0|2,0,0]=4 7950 B8R0.7 CSCNCCC(C)O 2230a_200000755665_100011218213 [2,0,0,0,0,0|2,0,0]=4 7951 B8R0.7 CSCSCCC(C)O 62a_100011218213_100012276601 [2,0,0,0,0,0|2,0,0]=4 7952 B8R0.7 CSCSCCC(C)O 62a_100012276601_100011218213 [2,0,0,0,0,0|2,0,0]=4 7953 B8R0.7 C[C@@H](O)CNCCCF 2230a_100015189416_100009817552 [2,0,0,0,0,0|2,0,0]=4 7954 B8R0.7 C[C@@H](O)CNCCCF 34a_100015189416_100009817552 [2,0,0,0,0,0|2,0,0]=4 7955 B8R0.7 C[C@@H](O)COCCCBr 34a_100011217188_100009817552 [2,0,0,0,0,0|2,0,0]=4 7956 B8R0.7 C[C@@H](O)COCCCCl 34a_100000230001_100009817552 [2,0,0,0,0,0|2,0,0]=4 7957 B8R0.7 C[C@@H](O)COCCCF 34a_100000759539_100009817552 [2,0,0,0,0,0|2,0,0]=4 7958 B8R0.7 C[C@@H](O)COCCCN 34a_100000182051_100009817552 [2,0,0,0,0,0|2,0,0]=4 7959 B8R0.7 C[C@@H](O)CSCCCF 62a_100009817552_100011934791 [2,0,0,0,0,0|2,0,0]=4 7960 B8R0.7 C[C@@H](O)CSCCCF 62a_100011934791_100009817552 [2,0,0,0,0,0|2,0,0]=4 7961 B8R0.7 C[C@@H](O)CSCCCO 62a_100009817552_100011215043 [2,0,0,0,0,0|2,0,0]=4 7962 B8R0.7 C[C@@H](O)CSCCCO 62a_100011215043_100009817552 [2,0,0,0,0,0|2,0,0]=4 7963 B8R0.6 CCC(C)CCCOC 7a_100011216074_200000210301 [2,0,0,0,0,0|2,0,0]=4 7964 B8R0.6 CCC(C)CCCO[13CH3] 7a_100011216074_200025704644 [2,0,0,0,0,0|2,0,0]=4 7965 B8R0.6 CCC(O)CNCCF 2230a_100011218483_100011217306 [2,0,0,0,0,0|2,0,0]=4 7966 B8R0.6 CCC(O)CNCCF 34a_100000724931_100011218378 [2,0,0,0,0,0|2,0,0]=4 7967 B8R0.6 CCC(O)CNCCO 2230a_100011218483_100000211926 [2,0,0,0,0,0|2,0,0]=4 7968 B8R0.6 CCC(O)CNCCO 2230a_100016997473_100011218378 [2,0,0,0,0,0|2,0,0]=4 7969 B8R0.6 CCC(O)CNCCO 34a_100016990907_100011218378 [2,0,0,0,0,0|2,0,0]=4 7970 B8R0.6 CCC(O)CNCOC 2230a_100011218483_100000766300 [2,0,0,0,0,0|2,0,0]=4 7971 B8R0.6 CCC(O)CNCSC 2230a_100011218483_100011218213 [2,0,0,0,0,0|2,0,0]=4 7972 B8R0.6 CCC(O)COCCBr 34a_100000211926_100011218378 [2,0,0,0,0,0|2,0,0]=4 7973 B8R0.6 CCC(O)COCCN 34a_100000210304_100011218378 [2,0,0,0,0,0|2,0,0]=4 7974 B8R0.6 CCC(O)CSCCF 62a_100011217306_100011218378 [2,0,0,0,0,0|2,0,0]=4 7975 B8R0.6 CCC(O)CSCCF 62a_100011218378_100011217306 [2,0,0,0,0,0|2,0,0]=4 7976 B8R0.6 CCC(O)CSCCO 62a_100000211926_100011218378 [2,0,0,0,0,0|2,0,0]=4 7977 B8R0.6 CCC(O)CSCCO 62a_100011218378_100000211926 [2,0,0,0,0,0|2,0,0]=4 7978 B8R0.6 CCC(O)CSCOC 62a_100000766300_100011218378 [2,0,0,0,0,0|2,0,0]=4 7979 B8R0.6 CCC(O)CSCOC 62a_100011218378_100000766300 [2,0,0,0,0,0|2,0,0]=4 7980 B8R0.6 CCC(O)CSCSC 62a_100011218213_100011218378 [2,0,0,0,0,0|2,0,0]=4 7981 B8R0.6 CCC(O)CSCSC 62a_100011218378_100011218213 [2,0,0,0,0,0|2,0,0]=4 7982 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [2,0,0,0,0,0|0,0,2]=4 7983 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [2,0,0,0,0,0|0,0,2]=4 7984 B8R0.6 CCCCCC(C)NC 2230a_100000211957_200000210301 [2,0,0,0,0,0|2,0,0]=4 7985 B8R0.6 CCCCCC(C)NC 2230a_106832991635_200011218191 [2,0,0,0,0,0|2,0,0]=4 7986 B8R0.6 CCCCCC(C)NC 270004a_106832991635_100000211708 [2,0,0,0,0,0|2,0,0]=4 7987 B8R0.6 CCCCCC(C)NC 34a_100102657272_200011218191 [2,0,0,0,0,0|2,0,0]=4 7988 B8R0.6 CCCCCC(C)NC 7a_106832991635_200011218191 [2,0,0,0,0,0|2,0,0]=4 7989 B8R0.6 CCCCCC(C)N[13CH3] 2230a_100000211957_200025704644 [2,0,0,0,0,0|2,0,0]=4 7990 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [2,0,0,0,0,0|2,0,0]=4 7991 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [2,0,0,0,0,0|2,0,0]=4 7992 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [2,0,0,0,0,0|2,0,0]=4 7993 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [2,0,0,0,0,0|2,0,0]=4 7994 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [2,0,0,0,0,0|2,0,0]=4 7995 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [2,0,0,0,0,0|2,0,0]=4 7996 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [2,0,0,0,0,0|2,0,0]=4 7997 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [2,0,0,0,0,0|2,0,0]=4 7998 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [2,0,0,0,0,0|2,0,0]=4 7999 B8R0.6 CCCCCN(C)CC 2230a_100000223495_100000210202 [2,0,0,0,0,0|2,0,0]=4 8000 B8R0.6 CCCCCN(C)CC 2230a_100000225621_100000210326 [2,0,0,0,0,0|2,0,0]=4 8001 B8R0.6 CCCCCN(C)CC 269982a_100000223495_100000204670 [2,0,0,0,0,0|2,0,0]=4 8002 B8R0.6 CCCCCN(C)CC 269982a_100000225621_100000210215 [2,0,0,0,0,0|2,0,0]=4 8003 B8R0.6 CCCCNC(C)CC 2230a_100000102301_100000758301 [2,0,0,0,0,0|2,0,0]=4 8004 B8R0.6 CCCCNC(C)CC 2230a_100000209981_100000210211 [2,0,0,0,0,0|2,0,0]=4 8005 B8R0.6 CCCCNC(C)CC 7a_106832991798_100000758301 [2,0,0,0,0,0|2,0,0]=4 8006 B8R0.6 CCCCOC(C)CC 34a_100000210227_100011215416 [2,0,0,0,0,0|2,0,0]=4 8007 B8R0.6 CCCCOC(C)CC 7a_100000210227_100000758301 [2,0,0,0,0,0|2,0,0]=4 8008 B8R0.6 CCCCOC(C)CC 7a_100000210228_100000210211 [2,0,0,0,0,0|2,0,0]=4 8009 B8R0.6 CCCCSC(C)CC 62a_100000210211_100000758301 [2,0,0,0,0,0|2,0,0]=4 8010 B8R0.6 CCCCSC(C)CC 62a_100000758301_100000210210 [2,0,0,0,0,0|2,0,0]=4 8011 B8R0.6 CCCNCC(C)CC 2230a_100020588543_100000210303 [2,0,0,0,0,0|2,0,0]=4 8012 B8R0.6 CCCNCC(C)CC 270004a_100020643023_100000243153 [2,0,0,0,0,0|2,0,0]=4 8013 B8R0.6 CCCNCC(O)CC 2230a_100011218483_100000210303 [2,0,0,0,0,0|1,0,0]=3 8014 B8R0.6 CCCNC[C@H](O)CO 2230a_100020644852_100000210303 [2,0,0,0,0,0|2,0,0]=4 8015 B8R0.6 CCCOCC(C)CC 34a_100000210258_100000748023 [2,0,0,0,0,0|2,0,0]=4 8016 B8R0.6 CCCOCC(O)CC 34a_100000210258_100011218378 [2,0,0,0,0,0|1,0,0]=3 8017 B8R0.6 CCCOCC(O)CO 34a_100000210258_100011219619 [2,0,0,0,0,0|2,0,0]=4 8018 B8R0.6 CCCOC[C@@H](C)CC 34a_100000210258_100009816398 [2,0,0,0,0,0|2,0,0]=4 8019 B8R0.6 CCCOC[C@@H](C)CC 7a_100009816381_100000210303 [2,0,0,0,0,0|2,0,0]=4 8020 B8R0.6 CCCOC[C@@H](O)CF 34a_100000210258_100015614560 [2,0,0,0,0,0|2,0,0]=4 8021 B8R0.6 CCCOC[C@@H](O)CO 34a_100000210258_100009815848 [2,0,0,0,0,0|2,0,0]=4 8022 B8R0.6 CCCSCC(C)CC 62a_100000210303_100000748023 [2,0,0,0,0,0|2,0,0]=4 8023 B8R0.6 CCCSCC(C)CC 62a_100000748023_100000210303 [2,0,0,0,0,0|2,0,0]=4 8024 B8R0.6 CCCSCC(O)CC 62a_100000210303_100011218378 [2,0,0,0,0,0|1,0,0]=3 8025 B8R0.6 CCCSCC(O)CC 62a_100011218378_100000210303 [2,0,0,0,0,0|1,0,0]=3 8026 B8R0.6 CCCSCC(O)CO 62a_100000210303_100011219619 [2,0,0,0,0,0|2,0,0]=4 8027 B8R0.6 CCCSCC(O)CO 62a_100011219619_100000210303 [2,0,0,0,0,0|2,0,0]=4 8028 B8R0.6 CCCSC[C@@H](C)CC 62a_100000210303_100009816398 [2,0,0,0,0,0|2,0,0]=4 8029 B8R0.6 CCCSC[C@@H](C)CC 62a_100009816398_100000210303 [2,0,0,0,0,0|2,0,0]=4 8030 B8R0.6 CCCSC[C@@H](O)CF 62a_100000210303_100015614560 [2,0,0,0,0,0|2,0,0]=4 8031 B8R0.6 CCCSC[C@@H](O)CF 62a_100015614560_100000210303 [2,0,0,0,0,0|2,0,0]=4 8032 B8R0.6 CCCSC[C@@H](O)CO 62a_100000210303_100009815848 [2,0,0,0,0,0|2,0,0]=4 8033 B8R0.6 CCCSC[C@@H](O)CO 62a_100009815848_100000210303 [2,0,0,0,0,0|2,0,0]=4 8034 B8R0.6 CCNCCC(C)CC 2230a_100020591266_100000210202 [2,0,0,0,0,0|2,0,0]=4 8035 B8R0.6 CCOCCC(C)CC 7a_100011215188_100000210202 [2,0,0,0,0,0|2,0,0]=4 8036 B10R0.3 CC(CCN)COC[C@@H](C)O 34a_106354213184_100009817552 [1,1,0,0,0,0|2,0,0]=4 8037 B10R0.3 CC(O)CCCC(=O)CCO 1458a_100011216618_200000718107 [1,1,0,0,0,0|1,0,1]=4 8038 B10R0.3 CC(O)CCCN(C)CCO 2230a_100000210263_200000718107 [1,1,0,0,0,0|2,0,0]=4 8039 B10R0.3 CC(O)CCCN(C)CCO 269982a_100000210263_200000718107 [1,1,0,0,0,0|2,0,0]=4 8040 B10R0.3 CC(O)CCNC(C)CCO 2230a_200000755665_100009893172 [1,1,0,0,0,0|2,0,0]=4 8041 B10R0.3 CC(O)CCN[C@H](C)CCO 2230a_100000706166_100012276601 [1,1,0,0,0,0|2,0,0]=4 8042 B10R0.3 CC(O)CCN[C@H](C)CCO 34a_100000706166_100012276601 [1,1,0,0,0,0|2,0,0]=4 8043 B10R0.3 CC(O)CCOC(C)CCBr 34a_100012276601_100012276601 [1,1,0,0,0,0|2,0,0]=4 8044 B10R0.3 CC(O)CCSC(C)CCO 62a_100009893172_100012276601 [1,1,0,0,0,0|2,0,0]=4 8045 B10R0.3 CC(O)CCSC(C)CCO 62a_100012276601_100009893172 [1,1,0,0,0,0|2,0,0]=4 8046 B10R0.3 CC(O)COCC(C)CCN 34a_106354213184_100011218427 [1,1,0,0,0,0|2,0,0]=4 8047 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100000211992_100011214892 [1,1,0,0,0,0|1,0,1]=4 8048 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100011216857_100000210303 [1,1,0,0,0,0|1,0,1]=4 8049 B10R0.3 CCCC(=O)CCCC(C)O 1458a_100000211992_200000718107 [1,1,0,0,0,0|0,0,1]=3 8050 B10R0.3 CCCC(=O)CNCC(C)O 2230a_100000210904_100000747444 [1,1,0,0,0,0|1,0,1]=4 8051 B10R0.3 CCCC(=O)CSCC(C)O 62a_100000747444_100011218427 [1,1,0,0,0,0|1,0,1]=4 8052 B10R0.3 CCCC(=O)CSCC(C)O 62a_100011218427_100000747444 [1,1,0,0,0,0|1,0,1]=4 8053 B10R0.3 CCCC(=O)CSC[C@@H](C)O 62a_100000747444_100009817552 [1,1,0,0,0,0|1,0,1]=4 8054 B10R0.3 CCCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747444 [1,1,0,0,0,0|1,0,1]=4 8055 B10R0.3 CCCC(=O)NCCC(C)O 240690a_200000755665_100000211992 [1,1,0,0,0,0|1,0,1]=4 8056 B10R0.3 CCCC(=O)NCCC(C)O 527a_200000755665_100000211992 [1,1,0,0,0,0|1,0,1]=4 8057 B10R0.3 CCCC(C)CCOC(C)C 34a_100011217855_100000210206 [1,1,0,0,0,0|2,0,0]=4 8058 B10R0.3 CCCC(C)CCOC(C)C 7a_100011217855_100000210206 [1,1,0,0,0,0|2,0,0]=4 8059 B10R0.3 CCCC(C)CNCC(C)C 2230a_100000210953_100011216630 [1,1,0,0,0,0|2,0,0]=4 8060 B10R0.3 CCCC(C)CNCC(C)C 270004a_100000210953_100000243154 [1,1,0,0,0,0|2,0,0]=4 8061 B10R0.3 CCCC(C)CNCC(C)C 34a_100000210953_100011216630 [1,1,0,0,0,0|2,0,0]=4 8062 B10R0.3 CCCC(C)CNCC(C)O 2230a_100000210904_100011216630 [1,1,0,0,0,0|1,0,0]=3 8063 B10R0.3 CCCC(C)CNCC(C)O 270004a_100000210904_100000243154 [1,1,0,0,0,0|1,0,0]=3 8064 B10R0.3 CCCC(C)CNCC(C)O 34a_100000210904_100011216630 [1,1,0,0,0,0|1,0,0]=3 8065 B10R0.3 CCCC(C)COCC(C)Br 34a_100012180447_100011216630 [1,1,0,0,0,0|2,0,0]=4 8066 B10R0.3 CCCC(C)COCC(C)C 34a_100000210257_100011216630 [1,1,0,0,0,0|2,0,0]=4 8067 B10R0.3 CCCC(C)COCC(C)C 34a_100000688023_100000210624 [1,1,0,0,0,0|2,0,0]=4 8068 B10R0.3 CCCC(C)COCC(C)C 7a_100000688023_100000210760 [1,1,0,0,0,0|2,0,0]=4 8069 B10R0.3 CCCC(C)COCC(C)F 34a_100015925927_100011216630 [1,1,0,0,0,0|2,0,0]=4 8070 B10R0.3 CCCC(C)COCC(C)O 34a_100000688023_100011218427 [1,1,0,0,0,0|1,0,0]=3 8071 B10R0.3 CCCC(C)COCC(C)O 7a_100000688023_100011218427 [1,1,0,0,0,0|1,0,0]=3 8072 B10R0.3 CCCC(C)COC[C@@H](C)Cl 34a_100016084084_100011216630 [1,1,0,0,0,0|2,0,0]=4 8073 B10R0.3 CCCC(C)COC[C@@H](C)N 34a_100000737577_100011216630 [1,1,0,0,0,0|2,0,0]=4 8074 B10R0.3 CCCC(C)COC[C@@H](C)O 34a_100000688023_100009817552 [1,1,0,0,0,0|1,0,0]=3 8075 B10R0.3 CCCC(C)COC[C@@H](C)O 7a_100000688023_100009817552 [1,1,0,0,0,0|1,0,0]=3 8076 B10R0.3 CCCC(C)CSCC(C)C 62a_100000210624_100011216630 [1,1,0,0,0,0|2,0,0]=4 8077 B10R0.3 CCCC(C)CSCC(C)C 62a_100011216630_100000210760 [1,1,0,0,0,0|2,0,0]=4 8078 B10R0.3 CCCC(C)CSCC(C)O 62a_100011216630_100011218427 [1,1,0,0,0,0|1,0,0]=3 8079 B10R0.3 CCCC(C)CSCC(C)O 62a_100011218427_100011216630 [1,1,0,0,0,0|1,0,0]=3 8080 B10R0.3 CCCC(C)CSC[C@@H](C)O 62a_100009817552_100011216630 [1,1,0,0,0,0|1,0,0]=3 8081 B10R0.3 CCCC(C)CSC[C@@H](C)O 62a_100011216630_100009817552 [1,1,0,0,0,0|1,0,0]=3 8082 B10R0.3 CCCC(C)NCCC(C)C 2230a_100000741246_100000210312 [1,1,0,0,0,0|2,0,0]=4 8083 B10R0.3 CCCC(C)NCCC(C)C 269862a_100000741246_100000185833 [1,1,0,0,0,0|2,0,0]=4 8084 B10R0.3 CCCC(C)NCCC(C)C 270004a_100000210545_100000211909 [1,1,0,0,0,0|2,0,0]=4 8085 B10R0.3 CCCC(C)NCCC(C)O 2230a_100000741246_100012276601 [1,1,0,0,0,0|1,0,0]=3 8086 B10R0.3 CCCC(C)NCCC(C)O 2230a_200000755665_100000766640 [1,1,0,0,0,0|1,0,0]=3 8087 B10R0.3 CCCC(C)NCCC(C)O 270004a_200000755665_100000211909 [1,1,0,0,0,0|1,0,0]=3 8088 B10R0.3 CCCC(C)OCCC(C)Br 34a_100009893172_100000766640 [1,1,0,0,0,0|2,0,0]=4 8089 B10R0.3 CCCC(C)OCCC(C)C 34a_100000210254_100000766640 [1,1,0,0,0,0|2,0,0]=4 8090 B10R0.3 CCCC(C)OCCC(C)C 34a_100000764384_100000210312 [1,1,0,0,0,0|2,0,0]=4 8091 B10R0.3 CCCC(C)OCCC(C)C 7a_100000210254_100000766640 [1,1,0,0,0,0|2,0,0]=4 8092 B10R0.3 CCCC(C)OCCC(C)C 7a_100000764384_100000210626 [1,1,0,0,0,0|2,0,0]=4 8093 B10R0.3 CCCC(C)OCCC(C)O 34a_100000764384_100012276601 [1,1,0,0,0,0|1,0,0]=3 8094 B10R0.3 CCCC(C)OCCC(C)O 7a_100000764384_100012276601 [1,1,0,0,0,0|1,0,0]=3 8095 B10R0.3 CCCC(C)OCC[C@@H](C)N 34a_100000706166_100000766640 [1,1,0,0,0,0|2,0,0]=4 8096 B10R0.3 CCCC(C)SCCC(C)C 62a_100000210312_100000766640 [1,1,0,0,0,0|2,0,0]=4 8097 B10R0.3 CCCC(C)SCCC(C)C 62a_100000766640_100000210312 [1,1,0,0,0,0|2,0,0]=4 8098 B10R0.3 CCCC(C)SCCC(C)O 62a_100000766640_100012276601 [1,1,0,0,0,0|1,0,0]=3 8099 B10R0.3 CCCC(C)SCCC(C)O 62a_100012276601_100000766640 [1,1,0,0,0,0|1,0,0]=3 8100 B10R0.3 CCCN(C)CCCC(C)C 2230a_100000747261_100011214892 [1,1,0,0,0,0|2,0,0]=4 8101 B10R0.3 CCCN(C)CCCC(C)C 269982a_100000747261_100011214892 [1,1,0,0,0,0|2,0,0]=4 8102 B10R0.3 CCCN(C)CCCC(C)O 2230a_100000747261_200000718107 [1,1,0,0,0,0|1,0,0]=3 8103 B10R0.3 CCCN(C)CCCC(C)O 269982a_100000747261_200000718107 [1,1,0,0,0,0|1,0,0]=3 8104 B10R0.3 CCC[C@H](N)CCOC(C)C 34a_100015193777_100000210206 [1,1,0,0,0,0|2,0,0]=4 8105 B10R0.3 CCC[C@H](N)COCC(C)C 34a_100000732646_100000210624 [1,1,0,0,0,0|2,0,0]=4 8106 B10R0.3 CCC[C@H](N)COCC(C)O 34a_100000732646_100011218427 [1,1,0,0,0,0|1,0,0]=3 8107 B10R0.3 CCC[C@H](N)COC[C@@H](C)O 34a_100000732646_100009817552 [1,1,0,0,0,0|1,0,0]=3 8108 B10R0.3 CCNC(=O)CCCC(C)O 527a_100015525214_100000761597 [1,1,0,0,0,0|1,0,1]=4 8109 B10R0.3 CCNC(C)CCCC(C)C 2230a_100000210607_100000210202 [1,1,0,0,0,0|2,0,0]=4 8110 B10R0.3 CCNC(C)CCCC(C)C 270004a_100015525214_100000753411 [1,1,0,0,0,0|2,0,0]=4 8111 B10R0.3 CCOC(C)CCCC(C)C 34a_200011218570_100000210202 [1,1,0,0,0,0|2,0,0]=4 8112 B10R0.3 CCOC(C)CCCC(C)C 7a_200011218570_100000210202 [1,1,0,0,0,0|2,0,0]=4 8113 B10R0.3 COCC(=O)CCCC(C)O 1458a_100000210968_200000718107 [1,1,0,0,0,0|1,0,1]=4 8114 B10R0.3 COCC(C)NCCC(C)O 2230a_200000755665_100000765312 [1,1,0,0,0,0|2,0,0]=4 8115 B10R0.3 COCC(C)NCCC(C)O 270004a_200000755665_100000749346 [1,1,0,0,0,0|2,0,0]=4 8116 B10R0.3 COCC(C)SCCC(C)O 62a_100000765312_100012276601 [1,1,0,0,0,0|2,0,0]=4 8117 B10R0.3 COCC(C)SCCC(C)O 62a_100012276601_100000765312 [1,1,0,0,0,0|2,0,0]=4 8118 B10R0.3 COCC(N)COCC(C)O 34a_100000724102_100011218427 [1,1,0,0,0,0|2,0,0]=4 8119 B10R0.3 COCC(N)COC[C@@H](C)O 34a_100000724102_100009817552 [1,1,0,0,0,0|2,0,0]=4 8120 B10R0.3 COCC(O)CNCC(C)O 2230a_100000756049_100011218427 [1,1,0,0,0,0|2,0,0]=4 8121 B10R0.3 COCC(O)CNCC(C)O 34a_100000210904_100011215053 [1,1,0,0,0,0|2,0,0]=4 8122 B10R0.3 COCC(O)CNCC(C)O 34a_100000756049_100011218427 [1,1,0,0,0,0|2,0,0]=4 8123 B10R0.3 COCC(O)CNC[C@@H](C)O 2230a_100000756049_100009817552 [1,1,0,0,0,0|2,0,0]=4 8124 B10R0.3 COCC(O)CNC[C@@H](C)O 34a_100000756049_100009817552 [1,1,0,0,0,0|2,0,0]=4 8125 B10R0.3 COCC(O)CSCC(C)O 62a_100011215053_100011218427 [1,1,0,0,0,0|2,0,0]=4 8126 B10R0.3 COCC(O)CSCC(C)O 62a_100011218427_100011215053 [1,1,0,0,0,0|2,0,0]=4 8127 B10R0.3 COCC(O)CSC[C@@H](C)O 62a_100009817552_100011215053 [1,1,0,0,0,0|2,0,0]=4 8128 B10R0.3 COCC(O)CSC[C@@H](C)O 62a_100011215053_100009817552 [1,1,0,0,0,0|2,0,0]=4 8129 B10R0.3 COC[C@@H](C)NCCC(C)O 2230a_100000764878_100012276601 [1,1,0,0,0,0|2,0,0]=4 8130 B10R0.3 COC[C@@H](C)OCCC(C)O 34a_100011934205_100012276601 [1,1,0,0,0,0|2,0,0]=4 8131 B10R0.3 CSCC(=O)CCCC(C)O 1458a_100000184570_200000718107 [1,1,0,0,0,0|1,0,1]=4 8132 B10R0.3 CSCC(C)NCCC(C)O 270004a_200000755665_100011216314 [1,1,0,0,0,0|2,0,0]=4 8133 B10R0.4 C#CCCCCNCC(C)O 2230a_100000210904_100010269958 [1,1,0,0,0,0|0,0,2]=4 8134 B10R0.4 C#CCCCCNCC(C)O 2230a_100000706060_100011218427 [1,1,0,0,0,0|0,0,2]=4 8135 B10R0.4 C#CCCCCNCC(C)O 34a_100000210904_100010269958 [1,1,0,0,0,0|0,0,2]=4 8136 B10R0.4 C#CCCCCNCC(C)O 34a_100000706060_100011218427 [1,1,0,0,0,0|0,0,2]=4 8137 B10R0.4 C#CCCCCNC[C@@H](C)O 2230a_100000706060_100009817552 [1,1,0,0,0,0|0,0,2]=4 8138 B10R0.4 C#CCCCCNC[C@@H](C)O 34a_100000706060_100009817552 [1,1,0,0,0,0|0,0,2]=4 8139 B10R0.4 C#CCCCCOCC(C)O 34a_100000766709_100011218427 [1,1,0,0,0,0|0,0,2]=4 8140 B10R0.4 C#CCCCCOCC(C)O 7a_100000766709_100011218427 [1,1,0,0,0,0|0,0,2]=4 8141 B10R0.4 C#CCCCCOC[C@@H](C)O 34a_100000766709_100009817552 [1,1,0,0,0,0|0,0,2]=4 8142 B10R0.4 C#CCCCCOC[C@@H](C)O 7a_100000766709_100009817552 [1,1,0,0,0,0|0,0,2]=4 8143 B10R0.4 C#CCCCCSCC(C)O 62a_100010269958_100011218427 [1,1,0,0,0,0|0,0,2]=4 8144 B10R0.4 C#CCCCCSCC(C)O 62a_100011218427_100010269958 [1,1,0,0,0,0|0,0,2]=4 8145 B10R0.4 C#CCCCCSC[C@@H](C)O 62a_100009817552_100010269958 [1,1,0,0,0,0|0,0,2]=4 8146 B10R0.4 C#CCCCCSC[C@@H](C)O 62a_100010269958_100009817552 [1,1,0,0,0,0|0,0,2]=4 8147 B10R0.4 C#CCCCNCCC(C)O 2230a_200000755665_100000731252 [1,1,0,0,0,0|0,0,2]=4 8148 B10R0.4 C#CCCCNCCC(C)O 34a_100000718082_100012276601 [1,1,0,0,0,0|0,0,2]=4 8149 B10R0.4 C#CCCCOCCC(C)O 34a_100000215630_100012276601 [1,1,0,0,0,0|0,0,2]=4 8150 B10R0.4 C#CCCCOCCC(C)O 7a_100000215630_100012276601 [1,1,0,0,0,0|0,0,2]=4 8151 B10R0.4 C#CCCCSCCC(C)O 62a_100011215417_100012276601 [1,1,0,0,0,0|0,0,2]=4 8152 B10R0.4 C#CCCCSCCC(C)O 62a_100012276601_100011215417 [1,1,0,0,0,0|0,0,2]=4 8153 B10R0.4 C#CCCNCCCC(C)O 34a_100000755551_200000718107 [1,1,0,0,0,0|0,0,2]=4 8154 B10R0.4 C#CCCOCCCC(C)O 34a_100011215631_200000718107 [1,1,0,0,0,0|0,0,2]=4 8155 B10R0.4 C#CCCSCCCC(C)O 62a_100000688953_200000718107 [1,1,0,0,0,0|0,0,2]=4 8156 B10R0.4 C#CCCSCCCC(C)O 62a_200000718107_100000688953 [1,1,0,0,0,0|0,0,2]=4 8157 B10R0.4 C/C=C/CCOCCC(C)O 34a_100016278192_100012276601 [1,1,0,0,0,0|0,0,2]=4 8158 B10R0.4 C/C=C/COCCCC(C)O 34a_100016270725_200000718107 [1,1,0,0,0,0|0,0,2]=4 8159 B10R0.4 C/C=C/CSCCCC(C)O 62a_100102629194_200000718107 [1,1,0,0,0,0|0,0,2]=4 8160 B10R0.4 C/C=C/CSCCCC(C)O 62a_200000718107_100102629194 [1,1,0,0,0,0|0,0,2]=4 8161 B10R0.4 C=C(C)CCNCCCCC 2230a_100000209983_100000730704 [1,1,0,0,0,0|1,0,1]=4 8162 B10R0.4 C=C(C)CCOCCCCC 34a_100000210253_100000730704 [1,1,0,0,0,0|1,0,1]=4 8163 B10R0.4 C=C(C)CCOCCCCC 34a_100000764851_100000718602 [1,1,0,0,0,0|1,0,1]=4 8164 B10R0.4 C=C(C)CCOCCCCC 7a_100000210253_100000730704 [1,1,0,0,0,0|1,0,1]=4 8165 B10R0.4 C=C(C)CCSCCCCC 62a_100000210326_100000730704 [1,1,0,0,0,0|1,0,1]=4 8166 B10R0.4 C=C(C)CCSCCCCC 62a_100000730704_100000210326 [1,1,0,0,0,0|1,0,1]=4 8167 B10R0.4 C=C(C)CNCCCCCC 2230a_100000210581_100000748629 [1,1,0,0,0,0|1,0,1]=4 8168 B10R0.4 C=C(C)COCCCCCC 34a_100000210245_100000210314 [1,1,0,0,0,0|1,0,1]=4 8169 B10R0.4 C=C(C)COCCCCCC 34a_100000210259_100000748629 [1,1,0,0,0,0|1,0,1]=4 8170 B10R0.4 C=C(C)COCCCCCC 7a_100000210259_100000748629 [1,1,0,0,0,0|1,0,1]=4 8171 B10R0.4 C=C(C)CSCCCCCC 62a_100000210314_100000211660 [1,1,0,0,0,0|1,0,1]=4 8172 B10R0.4 C=C(C)CSCCCCCC 62a_100000748629_100000210757 [1,1,0,0,0,0|1,0,1]=4 8173 B10R0.4 C=CCCCCNCC(C)O 2230a_100000210904_100011215482 [1,1,0,0,0,0|0,0,2]=4 8174 B10R0.4 C=CCCCCNCC(C)O 2230a_100000703577_100011218427 [1,1,0,0,0,0|0,0,2]=4 8175 B10R0.4 C=CCCCCNCC(C)O 34a_100000210904_100011215482 [1,1,0,0,0,0|0,0,2]=4 8176 B10R0.4 C=CCCCCNCC(C)O 34a_100000703577_100011218427 [1,1,0,0,0,0|0,0,2]=4 8177 B10R0.4 C=CCCCCNC[C@@H](C)O 2230a_100000703577_100009817552 [1,1,0,0,0,0|0,0,2]=4 8178 B10R0.4 C=CCCCCNC[C@@H](C)O 34a_100000703577_100009817552 [1,1,0,0,0,0|0,0,2]=4 8179 B10R0.4 C=CCCCCOCC(C)O 34a_100000766645_100011218427 [1,1,0,0,0,0|0,0,2]=4 8180 B10R0.4 C=CCCCCOCC(C)O 7a_100000766645_100011218427 [1,1,0,0,0,0|0,0,2]=4 8181 B10R0.4 C=CCCCCOC[C@@H](C)O 34a_100000766645_100009817552 [1,1,0,0,0,0|0,0,2]=4 8182 B10R0.4 C=CCCCCOC[C@@H](C)O 7a_100000766645_100009817552 [1,1,0,0,0,0|0,0,2]=4 8183 B10R0.4 C=CCCCCSCC(C)O 62a_100011215482_100011218427 [1,1,0,0,0,0|0,0,2]=4 8184 B10R0.4 C=CCCCCSCC(C)O 62a_100011218427_100011215482 [1,1,0,0,0,0|0,0,2]=4 8185 B10R0.4 C=CCCCCSC[C@@H](C)O 62a_100009817552_100011215482 [1,1,0,0,0,0|0,0,2]=4 8186 B10R0.4 C=CCCCCSC[C@@H](C)O 62a_100011215482_100009817552 [1,1,0,0,0,0|0,0,2]=4 8187 B10R0.4 C=CCCCNCCC(C)O 2230a_100000700776_100012276601 [1,1,0,0,0,0|0,0,2]=4 8188 B10R0.4 C=CCCCNCCC(C)O 2230a_200000755665_100011713584 [1,1,0,0,0,0|0,0,2]=4 8189 B10R0.4 C=CCCCNCCC(C)O 34a_100000700776_100012276601 [1,1,0,0,0,0|0,0,2]=4 8190 B10R0.4 C=CCCCOCCC(C)O 34a_100000758997_100012276601 [1,1,0,0,0,0|0,0,2]=4 8191 B10R0.4 C=CCCCOCCC(C)O 7a_100000758997_100012276601 [1,1,0,0,0,0|0,0,2]=4 8192 B10R0.4 C=CCCCSCCC(C)O 62a_100011713584_100012276601 [1,1,0,0,0,0|0,0,2]=4 8193 B10R0.4 C=CCCCSCCC(C)O 62a_100012276601_100000757094 [1,1,0,0,0,0|0,0,2]=4 8194 B10R0.4 C=CCCNCCCC(C)O 2230a_100015191253_200000718107 [1,1,0,0,0,0|0,0,2]=4 8195 B10R0.4 C=CCCOCCCC(C)O 34a_100011205117_200000718107 [1,1,0,0,0,0|0,0,2]=4 8196 B10R0.4 C=CCCSCCCC(C)O 62a_100000754431_200000718107 [1,1,0,0,0,0|0,0,2]=4 8197 B10R0.4 C=CCCSCCCC(C)O 62a_200000718107_100000754431 [1,1,0,0,0,0|0,0,2]=4 8198 B10R0.4 CC#CCCOCCC(C)O 34a_100000750427_100012276601 [1,1,0,0,0,0|0,0,2]=4 8199 B10R0.4 CC#CCNCCCC(C)O 2230a_100000685387_200000718107 [1,1,0,0,0,0|0,0,2]=4 8200 B10R0.4 CC#CCNCCCC(C)O 34a_100000685387_200000718107 [1,1,0,0,0,0|0,0,2]=4 8201 B10R0.4 CC#CCOCCCC(C)O 34a_100000761923_200000718107 [1,1,0,0,0,0|0,0,2]=4 8202 B10R0.4 CC#CCSCCCC(C)O 62a_100000748600_200000718107 [1,1,0,0,0,0|0,0,2]=4 8203 B10R0.4 CC#CCSCCCC(C)O 62a_200000718107_100000748600 [1,1,0,0,0,0|0,0,2]=4 8204 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [1,1,0,0,0,0|0,0,2]=4 8205 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [1,1,0,0,0,0|0,0,2]=4 8206 B10R0.4 CC(Br)CCOCCCCF 34a_100009893172_100000729493 [1,1,0,0,0,0|2,0,0]=4 8207 B10R0.4 CC(Br)CCOCCCCO 34a_100009893172_100011216708 [1,1,0,0,0,0|2,0,0]=4 8208 B10R0.4 CC(Br)COCCCCCF 34a_100012180447_100000729378 [1,1,0,0,0,0|2,0,0]=4 8209 B10R0.4 CC(Br)COCCCCCO 34a_100012180447_100000746330 [1,1,0,0,0,0|2,0,0]=4 8210 B10R0.4 CC(C)CCCCCCN[13CH3] 2230a_100000211014_200025704644 [1,1,0,0,0,0|1,0,0]=3 8211 B10R0.4 CC(C)CCCCCCN[13CH3] 34a_100000211014_200025704644 [1,1,0,0,0,0|1,0,0]=3 8212 B10R0.4 CC(C)CCCCCNCF 34a_100011290863_100015361967 [1,1,0,0,0,0|2,0,0]=4 8213 B10R0.4 CC(C)CCCCCOCF 34a_100011995859_100015361967 [1,1,0,0,0,0|2,0,0]=4 8214 B10R0.4 CC(C)CCCCCOCF 7a_100011995859_100015361967 [1,1,0,0,0,0|2,0,0]=4 8215 B10R0.4 CC(C)CCCCCSCF 62a_100000210682_100015361967 [1,1,0,0,0,0|2,0,0]=4 8216 B10R0.4 CC(C)CCCCCSCF 62a_100015361967_100000210682 [1,1,0,0,0,0|2,0,0]=4 8217 B10R0.4 CC(C)CCCCNCCF 34a_100000724931_100011216152 [1,1,0,0,0,0|2,0,0]=4 8218 B10R0.4 CC(C)CCCCNCCO 2230a_100016997473_100011216152 [1,1,0,0,0,0|2,0,0]=4 8219 B10R0.4 CC(C)CCCCNCCO 34a_100016990907_100011216152 [1,1,0,0,0,0|2,0,0]=4 8220 B10R0.4 CC(C)CCCCOCCBr 34a_100000211926_100011216152 [1,1,0,0,0,0|2,0,0]=4 8221 B10R0.4 CC(C)CCCCOCCF 34a_100011214890_100011217306 [1,1,0,0,0,0|2,0,0]=4 8222 B10R0.4 CC(C)CCCCOCCF 7a_100011214890_100011217306 [1,1,0,0,0,0|2,0,0]=4 8223 B10R0.4 CC(C)CCCCOCCN 34a_100000210304_100011216152 [1,1,0,0,0,0|2,0,0]=4 8224 B10R0.4 CC(C)CCCCOCCO 34a_100011214890_100000211926 [1,1,0,0,0,0|2,0,0]=4 8225 B10R0.4 CC(C)CCCCOCCO 7a_100011214890_100000211926 [1,1,0,0,0,0|2,0,0]=4 8226 B10R0.4 CC(C)CCCCSCCF 62a_100011216152_100011217306 [1,1,0,0,0,0|2,0,0]=4 8227 B10R0.4 CC(C)CCCCSCCF 62a_100011217306_100011216152 [1,1,0,0,0,0|2,0,0]=4 8228 B10R0.4 CC(C)CCCCSCCO 62a_100000211926_100011216152 [1,1,0,0,0,0|2,0,0]=4 8229 B10R0.4 CC(C)CCCCSCCO 62a_100011216152_100000211926 [1,1,0,0,0,0|2,0,0]=4 8230 B10R0.4 CC(C)CCCNCCCF 2230a_100015189416_100011214892 [1,1,0,0,0,0|2,0,0]=4 8231 B10R0.4 CC(C)CCCNCCCF 2230a_200000737386_100011934791 [1,1,0,0,0,0|2,0,0]=4 8232 B10R0.4 CC(C)CCCNCCCF 34a_100015189416_100011214892 [1,1,0,0,0,0|2,0,0]=4 8233 B10R0.4 CC(C)CCCNCCCF 34a_200000737386_100011934791 [1,1,0,0,0,0|2,0,0]=4 8234 B10R0.4 CC(C)CCCNCCCO 2230a_200000737386_100000230001 [1,1,0,0,0,0|2,0,0]=4 8235 B10R0.4 CC(C)CCCNCCCO 34a_200000737386_100000230001 [1,1,0,0,0,0|2,0,0]=4 8236 B10R0.4 CC(C)CCCOCCCBr 34a_100011217188_100011214892 [1,1,0,0,0,0|2,0,0]=4 8237 B10R0.4 CC(C)CCCOCCCCl 34a_100000230001_100011214892 [1,1,0,0,0,0|2,0,0]=4 8238 B10R0.4 CC(C)CCCOCCCF 34a_100000210774_100011934791 [1,1,0,0,0,0|2,0,0]=4 8239 B10R0.4 CC(C)CCCOCCCF 34a_100000759539_100011214892 [1,1,0,0,0,0|2,0,0]=4 8240 B10R0.4 CC(C)CCCOCCCF 7a_100000210774_100011934791 [1,1,0,0,0,0|2,0,0]=4 8241 B10R0.4 CC(C)CCCOCCCN 34a_100000182051_100011214892 [1,1,0,0,0,0|2,0,0]=4 8242 B10R0.4 CC(C)CCCOCCCO 34a_100000210774_100000230001 [1,1,0,0,0,0|2,0,0]=4 8243 B10R0.4 CC(C)CCCOCCCO 7a_100000210774_100011215043 [1,1,0,0,0,0|2,0,0]=4 8244 B10R0.4 CC(C)CCCSCCCF 62a_100011214892_100011934791 [1,1,0,0,0,0|2,0,0]=4 8245 B10R0.4 CC(C)CCCSCCCF 62a_100011934791_100011214892 [1,1,0,0,0,0|2,0,0]=4 8246 B10R0.4 CC(C)CCCSCCCO 62a_100011214892_100011215043 [1,1,0,0,0,0|2,0,0]=4 8247 B10R0.4 CC(C)CCCSCCCO 62a_100011215043_100011214892 [1,1,0,0,0,0|2,0,0]=4 8248 B10R0.4 CC(C)CCNCCCCO 2230a_100000750430_100000210312 [1,1,0,0,0,0|2,0,0]=4 8249 B10R0.4 CC(C)CCNCCCCO 269862a_100000750430_100000185833 [1,1,0,0,0,0|2,0,0]=4 8250 B10R0.4 CC(C)CCNCCCCO 34a_100000750430_100000210312 [1,1,0,0,0,0|2,0,0]=4 8251 B10R0.4 CC(C)CCOCCCCBr 34a_100011216708_100000210312 [1,1,0,0,0,0|2,0,0]=4 8252 B10R0.4 CC(C)CCOCCCCCl 34a_100000210776_100000210312 [1,1,0,0,0,0|2,0,0]=4 8253 B10R0.4 CC(C)CCOCCCCCl 7a_100000210776_100000210626 [1,1,0,0,0,0|2,0,0]=4 8254 B10R0.4 CC(C)CCOCCCCF 34a_100000210254_100000729493 [1,1,0,0,0,0|2,0,0]=4 8255 B10R0.4 CC(C)CCOCCCCF 34a_100011995726_100000210312 [1,1,0,0,0,0|2,0,0]=4 8256 B10R0.4 CC(C)CCOCCCCF 7a_100000210254_100000729493 [1,1,0,0,0,0|2,0,0]=4 8257 B10R0.4 CC(C)CCOCCCCF 7a_100011995726_100000210626 [1,1,0,0,0,0|2,0,0]=4 8258 B10R0.4 CC(C)CCOCCCCI 34a_200012148704_100000210312 [1,1,0,0,0,0|2,0,0]=4 8259 B10R0.4 CC(C)CCOCCCCN 34a_100000750430_100000210312 [1,1,0,0,0,0|2,0,0]=4 8260 B10R0.4 CC(C)CCOCCCCO 34a_100000210254_100011216708 [1,1,0,0,0,0|2,0,0]=4 8261 B10R0.4 CC(C)CCOCCCCO 7a_100000210254_100000210776 [1,1,0,0,0,0|2,0,0]=4 8262 B10R0.4 CC(C)CCSCCCCF 62a_100000210312_100000729493 [1,1,0,0,0,0|2,0,0]=4 8263 B10R0.4 CC(C)CCSCCCCF 62a_100000729493_100000210312 [1,1,0,0,0,0|2,0,0]=4 8264 B10R0.4 CC(C)CCSCCCCO 62a_100000210312_100000210776 [1,1,0,0,0,0|2,0,0]=4 8265 B10R0.4 CC(C)CCSCCCCO 62a_100000210776_100000210312 [1,1,0,0,0,0|2,0,0]=4 8266 B10R0.4 CC(C)CNCCCCCF 2230a_100000210953_100000729378 [1,1,0,0,0,0|2,0,0]=4 8267 B10R0.4 CC(C)CNCCCCCF 34a_100000210953_100000729378 [1,1,0,0,0,0|2,0,0]=4 8268 B10R0.4 CC(C)CNCCCCCO 2230a_100000210953_100000746330 [1,1,0,0,0,0|2,0,0]=4 8269 B10R0.4 CC(C)CNCCCCCO 2230a_100000762737_100000210760 [1,1,0,0,0,0|2,0,0]=4 8270 B10R0.4 CC(C)CNCCCCCO 270004a_100000762737_100000210432 [1,1,0,0,0,0|2,0,0]=4 8271 B10R0.4 CC(C)CNCCCCCO 34a_100000210953_100000746330 [1,1,0,0,0,0|2,0,0]=4 8272 B10R0.4 CC(C)CNCCCCCO 34a_100000762737_100000210624 [1,1,0,0,0,0|2,0,0]=4 8273 B10R0.4 CC(C)COCCCCCBr 34a_100000746331_100000210624 [1,1,0,0,0,0|2,0,0]=4 8274 B10R0.4 CC(C)COCCCCCBr 7a_100000746331_100000210760 [1,1,0,0,0,0|2,0,0]=4 8275 B10R0.4 CC(C)COCCCCCCl 34a_100000746330_100000210624 [1,1,0,0,0,0|2,0,0]=4 8276 B10R0.4 CC(C)COCCCCCCl 7a_100000746330_100000210760 [1,1,0,0,0,0|2,0,0]=4 8277 B10R0.4 CC(C)COCCCCCF 34a_100000210257_100000729378 [1,1,0,0,0,0|2,0,0]=4 8278 B10R0.4 CC(C)COCCCCCI 34a_200012148887_100000210624 [1,1,0,0,0,0|2,0,0]=4 8279 B10R0.4 CC(C)COCCCCCI 7a_200012148887_100000210760 [1,1,0,0,0,0|2,0,0]=4 8280 B10R0.4 CC(C)COCCCCCN 34a_100000762737_100000210624 [1,1,0,0,0,0|2,0,0]=4 8281 B10R0.4 CC(C)COCCCCCO 34a_100000210257_100000746330 [1,1,0,0,0,0|2,0,0]=4 8282 B10R0.4 CC(C)CSCCCCCF 62a_100000210624_100000729378 [1,1,0,0,0,0|2,0,0]=4 8283 B10R0.4 CC(C)CSCCCCCF 62a_100000729378_100000210760 [1,1,0,0,0,0|2,0,0]=4 8284 B10R0.4 CC(C)CSCCCCCO 62a_100000210624_100000746330 [1,1,0,0,0,0|2,0,0]=4 8285 B10R0.4 CC(C)CSCCCCCO 62a_100000746330_100000210760 [1,1,0,0,0,0|2,0,0]=4 8286 B10R0.4 CC(C)NCCCCCCF 2230a_100138425928_100015922095 [1,1,0,0,0,0|2,0,0]=4 8287 B10R0.4 CC(C)NCCCCCCF 34a_100138425928_100015922095 [1,1,0,0,0,0|2,0,0]=4 8288 B10R0.4 CC(C)NCCCCCCO 2230a_100000686447_100000210206 [1,1,0,0,0,0|2,0,0]=4 8289 B10R0.4 CC(C)NCCCCCCO 2230a_100138425928_100000766143 [1,1,0,0,0,0|2,0,0]=4 8290 B10R0.4 CC(C)NCCCCCCO 34a_100000686447_100000210206 [1,1,0,0,0,0|2,0,0]=4 8291 B10R0.4 CC(C)NCCCCCCO 34a_100138425928_100000766143 [1,1,0,0,0,0|2,0,0]=4 8292 B10R0.4 CC(C)NCCCCCO[13CH3] 34a_100011629493_200025704644 [1,1,0,0,0,0|2,0,0]=4 8293 B10R0.4 CC(C)OCCCCCCBr 34a_100011215345_100000210206 [1,1,0,0,0,0|2,0,0]=4 8294 B10R0.4 CC(C)OCCCCCCBr 7a_100011215345_100000210206 [1,1,0,0,0,0|2,0,0]=4 8295 B10R0.4 CC(C)OCCCCCCCl 34a_100000766143_100000210206 [1,1,0,0,0,0|2,0,0]=4 8296 B10R0.4 CC(C)OCCCCCCCl 7a_100000766143_100000210206 [1,1,0,0,0,0|2,0,0]=4 8297 B10R0.4 CC(C)OCCCCCCF 34a_100000212225_100015922095 [1,1,0,0,0,0|2,0,0]=4 8298 B10R0.4 CC(C)OCCCCCCF 34a_100000732779_100000210206 [1,1,0,0,0,0|2,0,0]=4 8299 B10R0.4 CC(C)OCCCCCCF 7a_100000732779_100000210206 [1,1,0,0,0,0|2,0,0]=4 8300 B10R0.4 CC(C)OCCCCCCN 34a_100000686447_100000210206 [1,1,0,0,0,0|2,0,0]=4 8301 B10R0.4 CC(C)OCCCCCCO 34a_100000212225_100000766143 [1,1,0,0,0,0|2,0,0]=4 8302 B10R0.4 CC(C)SCCCCCCF 62a_100000210206_100015922095 [1,1,0,0,0,0|2,0,0]=4 8303 B10R0.4 CC(C)SCCCCCCF 62a_100015922095_100000210206 [1,1,0,0,0,0|2,0,0]=4 8304 B10R0.4 CC(C)SCCCCCCO 62a_100000210206_100000766143 [1,1,0,0,0,0|2,0,0]=4 8305 B10R0.4 CC(C)SCCCCCCO 62a_100000766143_100000210206 [1,1,0,0,0,0|2,0,0]=4 8306 B10R0.4 CC(F)COCCCCCF 34a_100015925927_100000729378 [1,1,0,0,0,0|2,0,0]=4 8307 B10R0.4 CC(F)COCCCCCO 34a_100015925927_100000746330 [1,1,0,0,0,0|2,0,0]=4 8308 B10R0.4 CC(O)CCCNCCCF 2230a_100015189416_200000718107 [1,1,0,0,0,0|1,0,0]=3 8309 B10R0.4 CC(O)CCCNCCCF 34a_100015189416_200000718107 [1,1,0,0,0,0|1,0,0]=3 8310 B10R0.4 CC(O)CCCOCCCBr 34a_100011217188_200000718107 [1,1,0,0,0,0|1,0,0]=3 8311 B10R0.4 CC(O)CCCOCCCCl 34a_100000230001_200000718107 [1,1,0,0,0,0|1,0,0]=3 8312 B10R0.4 CC(O)CCCOCCCF 34a_100000759539_200000718107 [1,1,0,0,0,0|1,0,0]=3 8313 B10R0.4 CC(O)CCCOCCCN 34a_100000182051_200000718107 [1,1,0,0,0,0|1,0,0]=3 8314 B10R0.4 CC(O)CCCOCCON 34a_100000700252_200000718107 [1,1,0,0,0,0|2,0,0]=4 8315 B10R0.4 CC(O)CCCSCCC#N 62a_100011215226_200000718107 [1,1,0,0,0,0|1,0,1]=4 8316 B10R0.4 CC(O)CCCSCCC#N 62a_200000718107_100011215226 [1,1,0,0,0,0|1,0,1]=4 8317 B10R0.4 CC(O)CCCSCCCF 62a_100011934791_200000718107 [1,1,0,0,0,0|1,0,0]=3 8318 B10R0.4 CC(O)CCCSCCCF 62a_200000718107_100011934791 [1,1,0,0,0,0|1,0,0]=3 8319 B10R0.4 CC(O)CCCSCCCO 62a_100011215043_200000718107 [1,1,0,0,0,0|1,0,0]=3 8320 B10R0.4 CC(O)CCCSCCCO 62a_200000718107_100011215043 [1,1,0,0,0,0|1,0,0]=3 8321 B10R0.4 CC(O)CCNCCCC#N 2230a_200000755665_100000687738 [1,1,0,0,0,0|1,0,1]=4 8322 B10R0.4 CC(O)CCNCCCC=O 2230a_200000755665_200011292268 [1,1,0,0,0,0|1,0,1]=4 8323 B10R0.4 CC(O)CCNCCCCF 2230a_200000755665_100000729493 [1,1,0,0,0,0|1,0,0]=3 8324 B10R0.4 CC(O)CCNCCCCO 2230a_100000750430_100012276601 [1,1,0,0,0,0|1,0,0]=3 8325 B10R0.4 CC(O)CCNCCCCO 2230a_200000755665_100000210776 [1,1,0,0,0,0|1,0,0]=3 8326 B10R0.4 CC(O)CCNCCCCO 34a_100000750430_100012276601 [1,1,0,0,0,0|1,0,0]=3 8327 B10R0.4 CC(O)CCOCCCCBr 34a_100011216708_100012276601 [1,1,0,0,0,0|1,0,0]=3 8328 B10R0.4 CC(O)CCOCCCCCl 34a_100000210776_100012276601 [1,1,0,0,0,0|1,0,0]=3 8329 B10R0.4 CC(O)CCOCCCCCl 7a_100000210776_100012276601 [1,1,0,0,0,0|1,0,0]=3 8330 B10R0.4 CC(O)CCOCCCCF 34a_100011995726_100012276601 [1,1,0,0,0,0|1,0,0]=3 8331 B10R0.4 CC(O)CCOCCCCF 7a_100011995726_100012276601 [1,1,0,0,0,0|1,0,0]=3 8332 B10R0.4 CC(O)CCOCCCCI 34a_200012148704_100012276601 [1,1,0,0,0,0|1,0,0]=3 8333 B10R0.4 CC(O)CCOCCCCN 34a_100000750430_100012276601 [1,1,0,0,0,0|1,0,0]=3 8334 B10R0.4 CC(O)CCSCCCC#N 62a_100000687738_100012276601 [1,1,0,0,0,0|1,0,1]=4 8335 B10R0.4 CC(O)CCSCCCC#N 62a_100012276601_100000687738 [1,1,0,0,0,0|1,0,1]=4 8336 B10R0.4 CC(O)CCSCCCC=O 62a_100012276601_200011292268 [1,1,0,0,0,0|1,0,1]=4 8337 B10R0.4 CC(O)CCSCCCC=O 62a_200011292268_100012276601 [1,1,0,0,0,0|1,0,1]=4 8338 B10R0.4 CC(O)CCSCCCCF 62a_100000729493_100012276601 [1,1,0,0,0,0|1,0,0]=3 8339 B10R0.4 CC(O)CCSCCCCF 62a_100012276601_100000729493 [1,1,0,0,0,0|1,0,0]=3 8340 B10R0.4 CC(O)CCSCCCCO 62a_100000210776_100012276601 [1,1,0,0,0,0|1,0,0]=3 8341 B10R0.4 CC(O)CCSCCCCO 62a_100012276601_100000210776 [1,1,0,0,0,0|1,0,0]=3 8342 B10R0.4 CC(O)CNCCCCC#N 2230a_100000210904_100000211819 [1,1,0,0,0,0|1,0,1]=4 8343 B10R0.4 CC(O)CNCCCCC=O 2230a_100000210904_100000139335 [1,1,0,0,0,0|1,0,1]=4 8344 B10R0.4 CC(O)CNCCCCCF 2230a_100000210904_100000729378 [1,1,0,0,0,0|1,0,0]=3 8345 B10R0.4 CC(O)CNCCCCCF 34a_100000210904_100000729378 [1,1,0,0,0,0|1,0,0]=3 8346 B10R0.4 CC(O)CNCCCCCO 2230a_100000210904_100000746330 [1,1,0,0,0,0|1,0,0]=3 8347 B10R0.4 CC(O)CNCCCCCO 2230a_100000762737_100011218427 [1,1,0,0,0,0|1,0,0]=3 8348 B10R0.4 CC(O)CNCCCCCO 34a_100000210904_100000746330 [1,1,0,0,0,0|1,0,0]=3 8349 B10R0.4 CC(O)CNCCCCCO 34a_100000762737_100011218427 [1,1,0,0,0,0|1,0,0]=3 8350 B10R0.4 CC(O)CNCCOCCO 2230a_100000210904_100011215305 [1,1,0,0,0,0|2,0,0]=4 8351 B10R0.4 CC(O)CNCCOCCO 2230a_100000211614_100011218427 [1,1,0,0,0,0|2,0,0]=4 8352 B10R0.4 CC(O)CNCCOCCO 34a_100000210904_100000692535 [1,1,0,0,0,0|2,0,0]=4 8353 B10R0.4 CC(O)CNCCOCCO 34a_100000211614_100011218427 [1,1,0,0,0,0|2,0,0]=4 8354 B10R0.4 CC(O)CNCCSCCO 2230a_100011219999_100011218427 [1,1,0,0,0,0|2,0,0]=4 8355 B10R0.4 CC(O)COCCCCCBr 34a_100000746331_100011218427 [1,1,0,0,0,0|1,0,0]=3 8356 B10R0.4 CC(O)COCCCCCBr 7a_100000746331_100011218427 [1,1,0,0,0,0|1,0,0]=3 8357 B10R0.4 CC(O)COCCCCCCl 34a_100000746330_100011218427 [1,1,0,0,0,0|1,0,0]=3 8358 B10R0.4 CC(O)COCCCCCCl 7a_100000746330_100011218427 [1,1,0,0,0,0|1,0,0]=3 8359 B10R0.4 CC(O)COCCCCCI 34a_200012148887_100011218427 [1,1,0,0,0,0|1,0,0]=3 8360 B10R0.4 CC(O)COCCCCCI 7a_200012148887_100011218427 [1,1,0,0,0,0|1,0,0]=3 8361 B10R0.4 CC(O)COCCCCCN 34a_100000762737_100011218427 [1,1,0,0,0,0|1,0,0]=3 8362 B10R0.4 CC(O)COCCOCCBr 34a_100000692535_100011218427 [1,1,0,0,0,0|2,0,0]=4 8363 B10R0.4 CC(O)COCCOCCBr 7a_100000692535_100011218427 [1,1,0,0,0,0|2,0,0]=4 8364 B10R0.4 CC(O)COCCOCCCl 34a_100011215305_100011218427 [1,1,0,0,0,0|2,0,0]=4 8365 B10R0.4 CC(O)COCCOCCCl 7a_100011215305_100011218427 [1,1,0,0,0,0|2,0,0]=4 8366 B10R0.4 CC(O)COCCOCCF 34a_200015357709_100011218427 [1,1,0,0,0,0|2,0,0]=4 8367 B10R0.4 CC(O)COCCOCCF 7a_200015357709_100011218427 [1,1,0,0,0,0|2,0,0]=4 8368 B10R0.4 CC(O)COCCOCCI 34a_100012149058_100011218427 [1,1,0,0,0,0|2,0,0]=4 8369 B10R0.4 CC(O)COCCOCCI 7a_100012149058_100011218427 [1,1,0,0,0,0|2,0,0]=4 8370 B10R0.4 CC(O)COCCOCCN 34a_100000211614_100011218427 [1,1,0,0,0,0|2,0,0]=4 8371 B10R0.4 CC(O)CSCCCCC#N 62a_100011218427_100000211819 [1,1,0,0,0,0|1,0,1]=4 8372 B10R0.4 CC(O)CSCCCCC#N 62a_100011219923_100011218427 [1,1,0,0,0,0|1,0,1]=4 8373 B10R0.4 CC(O)CSCCCCC=O 62a_100000139335_100011218427 [1,1,0,0,0,0|1,0,1]=4 8374 B10R0.4 CC(O)CSCCCCC=O 62a_100011218427_100000139335 [1,1,0,0,0,0|1,0,1]=4 8375 B10R0.4 CC(O)CSCCCCCF 62a_100000729378_100011218427 [1,1,0,0,0,0|1,0,0]=3 8376 B10R0.4 CC(O)CSCCCCCF 62a_100011218427_100000729378 [1,1,0,0,0,0|1,0,0]=3 8377 B10R0.4 CC(O)CSCCCCCO 62a_100000746330_100011218427 [1,1,0,0,0,0|1,0,0]=3 8378 B10R0.4 CC(O)CSCCCCCO 62a_100011218427_100000746330 [1,1,0,0,0,0|1,0,0]=3 8379 B10R0.4 CC(O)CSCCOCCO 62a_100011215305_100011218427 [1,1,0,0,0,0|2,0,0]=4 8380 B10R0.4 CC(O)CSCCOCCO 62a_100011218427_100011215305 [1,1,0,0,0,0|2,0,0]=4 8381 B10R0.4 CC/C=C\CCNCC(C)O 2230a_100000210904_100015370543 [1,1,0,0,0,0|0,0,2]=4 8382 B10R0.4 CC/C=C\CCNCC(C)O 34a_100000210904_100015370543 [1,1,0,0,0,0|0,0,2]=4 8383 B10R0.4 CC/C=C\CCOCC(C)O 34a_100016288707_100011218427 [1,1,0,0,0,0|0,0,2]=4 8384 B10R0.4 CC/C=C\CCOCC(C)O 7a_100016288707_100011218427 [1,1,0,0,0,0|0,0,2]=4 8385 B10R0.4 CC/C=C\CCOC[C@@H](C)O 34a_100016288707_100009817552 [1,1,0,0,0,0|0,0,2]=4 8386 B10R0.4 CC/C=C\CCOC[C@@H](C)O 7a_100016288707_100009817552 [1,1,0,0,0,0|0,0,2]=4 8387 B10R0.4 CC/C=C\CCSCC(C)O 62a_100011218427_100015370543 [1,1,0,0,0,0|0,0,2]=4 8388 B10R0.4 CC/C=C\CCSCC(C)O 62a_100015370543_100011218427 [1,1,0,0,0,0|0,0,2]=4 8389 B10R0.4 CC/C=C\CCSC[C@@H](C)O 62a_100009817552_100015370543 [1,1,0,0,0,0|0,0,2]=4 8390 B10R0.4 CC/C=C\CCSC[C@@H](C)O 62a_100015370543_100009817552 [1,1,0,0,0,0|0,0,2]=4 8391 B10R0.4 CC/C=C\CNCCC(C)O 2230a_200000755665_100103147603 [1,1,0,0,0,0|0,0,2]=4 8392 B10R0.4 CC/C=C\COCCC(C)O 34a_100016268518_100012276601 [1,1,0,0,0,0|0,0,2]=4 8393 B10R0.4 CC/C=C\CSCCC(C)O 62a_100012276601_100103147603 [1,1,0,0,0,0|0,0,2]=4 8394 B10R0.4 CC/C=C\CSCCC(C)O 62a_100103147603_100012276601 [1,1,0,0,0,0|0,0,2]=4 8395 B10R0.4 CC=CCCCOCC(C)O 34a_100020645299_100011218427 [1,1,0,0,0,0|0,0,2]=4 8396 B10R0.4 CC=CCCCOC[C@@H](C)O 34a_100020645299_100009817552 [1,1,0,0,0,0|0,0,2]=4 8397 B10R0.4 CC=CCSCCCC(C)O 62a_100000070051_200000718107 [1,1,0,0,0,0|0,0,2]=4 8398 B10R0.4 CC=CCSCCCC(C)O 62a_200000718107_100000070051 [1,1,0,0,0,0|0,0,2]=4 8399 B10R0.4 CCC#CCCOCC(C)O 34a_100000036655_100011218427 [1,1,0,0,0,0|0,0,2]=4 8400 B10R0.4 CCC#CCCOCC(C)O 7a_100000036655_100011218427 [1,1,0,0,0,0|0,0,2]=4 8401 B10R0.4 CCC#CCCOC[C@@H](C)O 34a_100000036655_100009817552 [1,1,0,0,0,0|0,0,2]=4 8402 B10R0.4 CCC#CCCOC[C@@H](C)O 7a_100000036655_100009817552 [1,1,0,0,0,0|0,0,2]=4 8403 B10R0.4 CCC#CCNCCC(C)O 2230a_200000755665_100009813939 [1,1,0,0,0,0|0,0,2]=4 8404 B10R0.4 CCC#CCOCCC(C)O 34a_100000032950_100012276601 [1,1,0,0,0,0|0,0,2]=4 8405 B10R0.4 CCC#CCSCCC(C)O 62a_100009813939_100012276601 [1,1,0,0,0,0|0,0,2]=4 8406 B10R0.4 CCC#CCSCCC(C)O 62a_100012276601_100009813939 [1,1,0,0,0,0|0,0,2]=4 8407 B10R0.4 CCC/C=C/COCC(C)O 34a_100016278788_100011218427 [1,1,0,0,0,0|0,0,2]=4 8408 B10R0.4 CCC/C=C/COCC(C)O 7a_100016278788_100011218427 [1,1,0,0,0,0|0,0,2]=4 8409 B10R0.4 CCC/C=C/COC[C@@H](C)O 34a_100016278788_100009817552 [1,1,0,0,0,0|0,0,2]=4 8410 B10R0.4 CCC/C=C/COC[C@@H](C)O 7a_100016278788_100009817552 [1,1,0,0,0,0|0,0,2]=4 8411 B10R0.4 CCCC#CCOCC(C)O 34a_100000034806_100011218427 [1,1,0,0,0,0|0,0,2]=4 8412 B10R0.4 CCCC#CCOCC(C)O 7a_100000034806_100011218427 [1,1,0,0,0,0|0,0,2]=4 8413 B10R0.4 CCCC#CCOC[C@@H](C)O 34a_100000034806_100009817552 [1,1,0,0,0,0|0,0,2]=4 8414 B10R0.4 CCCC#CCOC[C@@H](C)O 7a_100000034806_100009817552 [1,1,0,0,0,0|0,0,2]=4 8415 B10R0.4 CCCCC=NNCC(C)O 4a_200000730056_100000210104 [1,1,0,0,0,0|1,0,1]=4 8416 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [1,1,0,0,0,0|0,0,2]=4 8417 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [1,1,0,0,0,0|0,0,2]=4 8418 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [1,1,0,0,0,0|0,0,2]=4 8419 B10R0.4 CCCCCCCCN(C)C 2230a_100000207567_200000210301 [1,1,0,0,0,0|2,0,0]=4 8420 B10R0.4 CCCCCCCCN(C)C 2230a_100102631434_100000210759 [1,1,0,0,0,0|2,0,0]=4 8421 B10R0.4 CCCCCCCCN(C)C 269982a_100000207567_200000210301 [1,1,0,0,0,0|2,0,0]=4 8422 B10R0.4 CCCCCCCCN(C)C 269982a_100102631434_100000210759 [1,1,0,0,0,0|2,0,0]=4 8423 B10R0.4 CCCCCCCCN(C)[13CH3] 2230a_100000207567_200025704644 [1,1,0,0,0,0|2,0,0]=4 8424 B10R0.4 CCCCCCCCN(C)[13CH3] 269982a_100000207567_200025704644 [1,1,0,0,0,0|2,0,0]=4 8425 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [1,1,0,0,0,0|0,0,2]=4 8426 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [1,1,0,0,0,0|0,0,2]=4 8427 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [1,1,0,0,0,0|0,0,2]=4 8428 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [1,1,0,0,0,0|0,0,2]=4 8429 B10R0.4 CCCCCCCNC(C)C 2230a_100000229938_100000210206 [1,1,0,0,0,0|1,0,0]=3 8430 B10R0.4 CCCCCCCNC(C)C 2230a_100138425928_100000210681 [1,1,0,0,0,0|1,0,0]=3 8431 B10R0.4 CCCCCCCNC(C)C 34a_100138425928_100000210614 [1,1,0,0,0,0|1,0,0]=3 8432 B10R0.4 CCCCCCCOC(C)C 34a_100000210272_100000210206 [1,1,0,0,0,0|1,0,0]=3 8433 B10R0.4 CCCCCCCOC(C)C 34a_100000212225_100000210614 [1,1,0,0,0,0|1,0,0]=3 8434 B10R0.4 CCCCCCCOC(C)C 7a_100000210272_100000210206 [1,1,0,0,0,0|1,0,0]=3 8435 B10R0.4 CCCCCCCSC(C)C 62a_100000210206_100000210316 [1,1,0,0,0,0|1,0,0]=3 8436 B10R0.4 CCCCCCCSC(C)C 62a_100000210614_100000210206 [1,1,0,0,0,0|1,0,0]=3 8437 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [1,1,0,0,0,0|1,0,1]=4 8438 B10R0.4 CCCCCCNCC(C)C 2230a_100000210581_100000210760 [1,1,0,0,0,0|1,0,0]=3 8439 B10R0.4 CCCCCCNCC(C)C 2230a_100000210953_100000210314 [1,1,0,0,0,0|1,0,0]=3 8440 B10R0.4 CCCCCCNCC(C)C 270004a_100000210581_100000210432 [1,1,0,0,0,0|1,0,0]=3 8441 B10R0.4 CCCCCCNCC(C)C 34a_100000210953_100000210314 [1,1,0,0,0,0|1,0,0]=3 8442 B10R0.4 CCCCCCNCC(C)O 2230a_100000210581_100011218427 [1,1,0,0,0,0|0,0,0]=2 8443 B10R0.4 CCCCCCNCC(C)O 2230a_100000210904_100000210314 [1,1,0,0,0,0|0,0,0]=2 8444 B10R0.4 CCCCCCNCC(C)O 34a_100000210904_100000210314 [1,1,0,0,0,0|0,0,0]=2 8445 B10R0.4 CCCCCCNCC(F)F 2230a_100000210581_100011934356 [1,1,0,0,0,0|2,0,0]=4 8446 B10R0.4 CCCCCCNCC(F)F 34a_100000765723_100000210314 [1,1,0,0,0,0|2,0,0]=4 8447 B10R0.4 CCCCCCNC[C@@H](C)O 2230a_100000210581_100009817552 [1,1,0,0,0,0|0,0,0]=2 8448 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [1,1,0,0,0,0|0,0,2]=4 8449 B10R0.4 CCCCCCOCC(C)Br 34a_100012180447_100000210314 [1,1,0,0,0,0|1,0,0]=3 8450 B10R0.4 CCCCCCOCC(C)C 34a_100000210257_100000210314 [1,1,0,0,0,0|1,0,0]=3 8451 B10R0.4 CCCCCCOCC(C)C 34a_100000210259_100000210624 [1,1,0,0,0,0|1,0,0]=3 8452 B10R0.4 CCCCCCOCC(C)C 7a_100000210259_100000210760 [1,1,0,0,0,0|1,0,0]=3 8453 B10R0.4 CCCCCCOCC(C)F 34a_100015925927_100000210314 [1,1,0,0,0,0|1,0,0]=3 8454 B10R0.4 CCCCCCOCC(C)O 34a_100000210259_100011218427 [1,1,0,0,0,0|0,0,0]=2 8455 B10R0.4 CCCCCCOCC(C)O 7a_100000210259_100011218427 [1,1,0,0,0,0|0,0,0]=2 8456 B10R0.4 CCCCCCOCC(F)F 34a_100000210259_100011934356 [1,1,0,0,0,0|2,0,0]=4 8457 B10R0.4 CCCCCCOCC(F)F 34a_100000743014_100000210314 [1,1,0,0,0,0|2,0,0]=4 8458 B10R0.4 CCCCCCOCC(F)F 7a_100000210259_100011934356 [1,1,0,0,0,0|2,0,0]=4 8459 B10R0.4 CCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210314 [1,1,0,0,0,0|1,0,0]=3 8460 B10R0.4 CCCCCCOC[C@@H](C)N 34a_100000737577_100000210314 [1,1,0,0,0,0|1,0,0]=3 8461 B10R0.4 CCCCCCOC[C@@H](C)O 34a_100000210259_100009817552 [1,1,0,0,0,0|0,0,0]=2 8462 B10R0.4 CCCCCCOC[C@@H](C)O 7a_100000210259_100009817552 [1,1,0,0,0,0|0,0,0]=2 8463 B10R0.4 CCCCCCSCC(C)C 62a_100000210314_100000210760 [1,1,0,0,0,0|1,0,0]=3 8464 B10R0.4 CCCCCCSCC(C)C 62a_100000210624_100000210757 [1,1,0,0,0,0|1,0,0]=3 8465 B10R0.4 CCCCCCSCC(C)O 62a_100000210314_100011218427 [1,1,0,0,0,0|0,0,0]=2 8466 B10R0.4 CCCCCCSCC(C)O 62a_100011218427_100000210757 [1,1,0,0,0,0|0,0,0]=2 8467 B10R0.4 CCCCCCSCC(F)F 62a_100000210314_100011934356 [1,1,0,0,0,0|2,0,0]=4 8468 B10R0.4 CCCCCCSCC(F)F 62a_100011934356_100000210757 [1,1,0,0,0,0|2,0,0]=4 8469 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100000210314_100009817552 [1,1,0,0,0,0|0,0,0]=2 8470 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100009817552_100000210757 [1,1,0,0,0,0|0,0,0]=2 8471 B10R0.4 CCCCCNCCC(C)C 2230a_100000209983_100000210312 [1,1,0,0,0,0|1,0,0]=3 8472 B10R0.4 CCCCCNCCC(C)C 269862a_100000209983_100000185833 [1,1,0,0,0,0|1,0,0]=3 8473 B10R0.4 CCCCCNCCC(C)O 2230a_100000209983_100012276601 [1,1,0,0,0,0|0,0,0]=2 8474 B10R0.4 CCCCCNCCC(C)O 2230a_200000755665_100000210326 [1,1,0,0,0,0|0,0,0]=2 8475 B10R0.4 CCCCCNCOC(C)C 2230a_100000209983_100000709892 [1,1,0,0,0,0|2,0,0]=4 8476 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [1,1,0,0,0,0|0,0,2]=4 8477 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [1,1,0,0,0,0|0,0,2]=4 8478 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [1,1,0,0,0,0|0,0,2]=4 8479 B10R0.4 CCCCCOCCC(C)Br 34a_100009893172_100000718602 [1,1,0,0,0,0|1,0,0]=3 8480 B10R0.4 CCCCCOCCC(C)C 34a_100000210253_100000210312 [1,1,0,0,0,0|1,0,0]=3 8481 B10R0.4 CCCCCOCCC(C)C 34a_100000210254_100000718602 [1,1,0,0,0,0|1,0,0]=3 8482 B10R0.4 CCCCCOCCC(C)C 7a_100000210253_100000210626 [1,1,0,0,0,0|1,0,0]=3 8483 B10R0.4 CCCCCOCCC(C)C 7a_100000210254_100000210326 [1,1,0,0,0,0|1,0,0]=3 8484 B10R0.4 CCCCCOCCC(C)O 34a_100000210253_100012276601 [1,1,0,0,0,0|0,0,0]=2 8485 B10R0.4 CCCCCOCCC(C)O 7a_100000210253_100012276601 [1,1,0,0,0,0|0,0,0]=2 8486 B10R0.4 CCCCCOCCC(F)F 34a_100103093639_100000718602 [1,1,0,0,0,0|2,0,0]=4 8487 B10R0.4 CCCCCOCCN(C)C 7a_100000210253_100000755713 [1,1,0,0,0,0|2,0,0]=4 8488 B10R0.4 CCCCCOCC[C@@H](C)N 34a_100000706166_100000718602 [1,1,0,0,0,0|1,0,0]=3 8489 B10R0.4 CCCCCOCOC(C)C 34a_100000210253_100000709892 [1,1,0,0,0,0|2,0,0]=4 8490 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [1,1,0,0,0,0|0,0,2]=4 8491 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [1,1,0,0,0,0|0,0,2]=4 8492 B10R0.4 CCCCCSCCC(C)C 62a_100000210312_100000210326 [1,1,0,0,0,0|1,0,0]=3 8493 B10R0.4 CCCCCSCCC(C)C 62a_100000210326_100000210312 [1,1,0,0,0,0|1,0,0]=3 8494 B10R0.4 CCCCCSCCC(C)O 62a_100000210326_100012276601 [1,1,0,0,0,0|0,0,0]=2 8495 B10R0.4 CCCCCSCCC(C)O 62a_100012276601_100000210326 [1,1,0,0,0,0|0,0,0]=2 8496 B10R0.4 CCCCCSCCN(C)C 62a_100000210326_100000755713 [1,1,0,0,0,0|2,0,0]=4 8497 B10R0.4 CCCCCSCOC(C)C 62a_100000210326_100000709892 [1,1,0,0,0,0|2,0,0]=4 8498 B10R0.4 CCCCCSCOC(C)C 62a_100000709892_100000210326 [1,1,0,0,0,0|2,0,0]=4 8499 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [1,1,0,0,0,0|0,0,2]=4 8500 B10R0.4 CCCCNCCCC(C)C 2230a_100000102301_100011214892 [1,1,0,0,0,0|1,0,0]=3 8501 B10R0.4 CCCCNCCCC(C)C 2230a_200000737386_100000210211 [1,1,0,0,0,0|1,0,0]=3 8502 B10R0.4 CCCCNCCCC(C)C 34a_200000737386_100000210210 [1,1,0,0,0,0|1,0,0]=3 8503 B10R0.4 CCCCNCCCC(C)C 7a_106832991798_100011214892 [1,1,0,0,0,0|1,0,0]=3 8504 B10R0.4 CCCCNCCCC(C)O 2230a_100000102301_200000718107 [1,1,0,0,0,0|0,0,0]=2 8505 B10R0.4 CCCCNCCCC(C)O 7a_106832991798_200000718107 [1,1,0,0,0,0|0,0,0]=2 8506 B10R0.4 CCCCNCCCN(C)C 7a_106832991798_100000757444 [1,1,0,0,0,0|2,0,0]=4 8507 B10R0.4 CCCCNCCCS(=O)C 2230a_200000753449_100000210211 [1,1,0,0,0,0|1,0,1]=4 8508 B10R0.4 CCCCNCCOC(C)C 2230a_100000102301_100000211751 [1,1,0,0,0,0|2,0,0]=4 8509 B10R0.4 CCCCNCCOC(C)C 2230a_100000701111_100000210211 [1,1,0,0,0,0|2,0,0]=4 8510 B10R0.4 CCCCNCCOC(C)C 34a_100000701111_100000210210 [1,1,0,0,0,0|2,0,0]=4 8511 B10R0.4 CCCCNCCOC(C)C 7a_106832991798_100000211751 [1,1,0,0,0,0|2,0,0]=4 8512 B10R0.4 CCCCNCCSC(C)C 2230a_100000102301_100000730970 [1,1,0,0,0,0|2,0,0]=4 8513 B10R0.4 CCCCNCCSC(C)C 2230a_100000731138_100000210211 [1,1,0,0,0,0|2,0,0]=4 8514 B10R0.4 CCCCNCCSC(C)C 34a_100000731138_100000210210 [1,1,0,0,0,0|2,0,0]=4 8515 B10R0.4 CCCCNCCSC(C)C 7a_106832991798_100000730970 [1,1,0,0,0,0|2,0,0]=4 8516 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [1,1,0,0,0,0|0,0,2]=4 8517 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [1,1,0,0,0,0|0,0,2]=4 8518 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [1,1,0,0,0,0|0,0,2]=4 8519 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [1,1,0,0,0,0|0,0,2]=4 8520 B10R0.4 CCCCOCCCC(C)C 34a_100000210227_100011214892 [1,1,0,0,0,0|1,0,0]=3 8521 B10R0.4 CCCCOCCCC(C)C 34a_100000210774_100000210210 [1,1,0,0,0,0|1,0,0]=3 8522 B10R0.4 CCCCOCCCC(C)C 7a_100000210227_100011214892 [1,1,0,0,0,0|1,0,0]=3 8523 B10R0.4 CCCCOCCCC(C)C 7a_100000210774_100000210211 [1,1,0,0,0,0|1,0,0]=3 8524 B10R0.4 CCCCOCCCC(C)O 34a_100000210227_200000718107 [1,1,0,0,0,0|0,0,0]=2 8525 B10R0.4 CCCCOCCCC(C)O 7a_100000210227_200000718107 [1,1,0,0,0,0|0,0,0]=2 8526 B10R0.4 CCCCOCCCN(C)C 7a_100000210227_100000757444 [1,1,0,0,0,0|2,0,0]=4 8527 B10R0.4 CCCCOCCNC(C)C 2230a_100138425928_100000743108 [1,1,0,0,0,0|2,0,0]=4 8528 B10R0.4 CCCCOCCNC(C)C 34a_100000224655_100000210210 [1,1,0,0,0,0|2,0,0]=4 8529 B10R0.4 CCCCOCCNC(C)C 34a_100138425928_100000743108 [1,1,0,0,0,0|2,0,0]=4 8530 B10R0.4 CCCCOCCOC(C)C 34a_100000210227_100000211751 [1,1,0,0,0,0|2,0,0]=4 8531 B10R0.4 CCCCOCCOC(C)C 34a_100000210238_100000210206 [1,1,0,0,0,0|2,0,0]=4 8532 B10R0.4 CCCCOCCOC(C)C 34a_100000211219_100000210210 [1,1,0,0,0,0|2,0,0]=4 8533 B10R0.4 CCCCOCCOC(C)C 34a_100000212225_100000743108 [1,1,0,0,0,0|2,0,0]=4 8534 B10R0.4 CCCCOCCOC(C)C 7a_100000210227_100000211751 [1,1,0,0,0,0|2,0,0]=4 8535 B10R0.4 CCCCOCCOC(C)C 7a_100000210238_100000210206 [1,1,0,0,0,0|2,0,0]=4 8536 B10R0.4 CCCCOCCOC(C)C 7a_100000211219_100000210211 [1,1,0,0,0,0|2,0,0]=4 8537 B10R0.4 CCCCOCCSC(C)C 34a_100000210227_100000730970 [1,1,0,0,0,0|2,0,0]=4 8538 B10R0.4 CCCCOCCSC(C)C 34a_200011212901_100000210210 [1,1,0,0,0,0|2,0,0]=4 8539 B10R0.4 CCCCOCCSC(C)C 62a_100000210206_100000743108 [1,1,0,0,0,0|2,0,0]=4 8540 B10R0.4 CCCCOCCSC(C)C 62a_100000743108_100000210206 [1,1,0,0,0,0|2,0,0]=4 8541 B10R0.4 CCCCOCCSC(C)C 7a_100000210227_100000730970 [1,1,0,0,0,0|2,0,0]=4 8542 B10R0.4 CCCCOCCSC(C)C 7a_200011212901_100000210211 [1,1,0,0,0,0|2,0,0]=4 8543 B10R0.4 CCCCOCNCC(C)C 2230a_100000210953_100011995733 [1,1,0,0,0,0|2,0,0]=4 8544 B10R0.4 CCCCOCNCC(C)C 34a_100000210953_100011995733 [1,1,0,0,0,0|2,0,0]=4 8545 B10R0.4 CCCCOCNCC(C)O 2230a_100000210904_100011995733 [1,1,0,0,0,0|1,0,0]=3 8546 B10R0.4 CCCCOCNCC(C)O 34a_100000210904_100011995733 [1,1,0,0,0,0|1,0,0]=3 8547 B10R0.4 CCCCOCOCC(C)Br 34a_100012180447_100011995733 [1,1,0,0,0,0|2,0,0]=4 8548 B10R0.4 CCCCOCOCC(C)C 34a_100000210257_100011995733 [1,1,0,0,0,0|2,0,0]=4 8549 B10R0.4 CCCCOCOCC(C)F 34a_100015925927_100011995733 [1,1,0,0,0,0|2,0,0]=4 8550 B10R0.4 CCCCOCOC[C@@H](C)Cl 34a_100016084084_100011995733 [1,1,0,0,0,0|2,0,0]=4 8551 B10R0.4 CCCCOCOC[C@@H](C)N 34a_100000737577_100011995733 [1,1,0,0,0,0|2,0,0]=4 8552 B10R0.4 CCCCOCSCC(C)C 62a_100000210624_100011995733 [1,1,0,0,0,0|2,0,0]=4 8553 B10R0.4 CCCCOCSCC(C)C 62a_100011995733_100000210760 [1,1,0,0,0,0|2,0,0]=4 8554 B10R0.4 CCCCOCSCC(C)O 62a_100011218427_100011995733 [1,1,0,0,0,0|1,0,0]=3 8555 B10R0.4 CCCCOCSCC(C)O 62a_100011995733_100011218427 [1,1,0,0,0,0|1,0,0]=3 8556 B10R0.4 CCCCOCSC[C@@H](C)O 62a_100009817552_100011995733 [1,1,0,0,0,0|1,0,0]=3 8557 B10R0.4 CCCCOCSC[C@@H](C)O 62a_100011995733_100009817552 [1,1,0,0,0,0|1,0,0]=3 8558 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [1,1,0,0,0,0|0,0,2]=4 8559 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [1,1,0,0,0,0|0,0,2]=4 8560 B10R0.4 CCCCSCCCC(C)C 62a_100000210211_100011214892 [1,1,0,0,0,0|1,0,0]=3 8561 B10R0.4 CCCCSCCCC(C)C 62a_100011214892_100000210210 [1,1,0,0,0,0|1,0,0]=3 8562 B10R0.4 CCCCSCCCC(C)O 62a_100000210211_200000718107 [1,1,0,0,0,0|0,0,0]=2 8563 B10R0.4 CCCCSCCCC(C)O 62a_200000718107_100000210210 [1,1,0,0,0,0|0,0,0]=2 8564 B10R0.4 CCCCSCCCN(C)C 62a_100000210211_100000757444 [1,1,0,0,0,0|2,0,0]=4 8565 B10R0.4 CCCCSCCNC(C)C 2230a_100025743550_100000210206 [1,1,0,0,0,0|2,0,0]=4 8566 B10R0.4 CCCCSCCOC(C)C 34a_200000230436_100000210206 [1,1,0,0,0,0|2,0,0]=4 8567 B10R0.4 CCCCSCCOC(C)C 62a_100000210211_100000211751 [1,1,0,0,0,0|2,0,0]=4 8568 B10R0.4 CCCCSCCOC(C)C 62a_100000211751_100000210210 [1,1,0,0,0,0|2,0,0]=4 8569 B10R0.4 CCCCSCCOC(C)C 7a_200000230436_100000210206 [1,1,0,0,0,0|2,0,0]=4 8570 B10R0.4 CCCCSCCSC(C)C 62a_100000210211_100000730970 [1,1,0,0,0,0|2,0,0]=4 8571 B10R0.4 CCCCSCCSC(C)C 62a_100000730970_100000210210 [1,1,0,0,0,0|2,0,0]=4 8572 B10R0.4 CCCNCCCOC(C)C 2230a_100000737246_100000210303 [1,1,0,0,0,0|2,0,0]=4 8573 B10R0.4 CCCNCCCOC(C)C 34a_100000737246_100000210303 [1,1,0,0,0,0|2,0,0]=4 8574 B10R0.4 CCCOCCCCB(O)O 34a_100000210258_200009817182 [1,1,0,0,0,0|2,0,0]=4 8575 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [1,1,0,0,0,0|0,0,2]=4 8576 B10R0.4 CCCOCCCCC(C)C 34a_100000210258_100011216152 [1,1,0,0,0,0|1,0,0]=3 8577 B10R0.4 CCCOCCCCC(C)C 34a_100011214890_100000210303 [1,1,0,0,0,0|1,0,0]=3 8578 B10R0.4 CCCOCCCCC(C)C 7a_100011214890_100000210303 [1,1,0,0,0,0|1,0,0]=3 8579 B10R0.4 CCCOCCCNC(C)C 2230a_100011217757_100000210206 [1,1,0,0,0,0|2,0,0]=4 8580 B10R0.4 CCCOCCCNC(C)C 34a_100000182298_100000210303 [1,1,0,0,0,0|2,0,0]=4 8581 B10R0.4 CCCOCCCNC(C)C 34a_100011217757_100000210206 [1,1,0,0,0,0|2,0,0]=4 8582 B10R0.4 CCCOCCNCC(C)C 2230a_100000210953_100011215938 [1,1,0,0,0,0|2,0,0]=4 8583 B10R0.4 CCCOCCNCC(C)C 2230a_100161115042_100000210760 [1,1,0,0,0,0|2,0,0]=4 8584 B10R0.4 CCCOCCNCC(C)C 270004a_100161115042_100000210432 [1,1,0,0,0,0|2,0,0]=4 8585 B10R0.4 CCCOCCNCC(C)C 34a_100000210953_100011215938 [1,1,0,0,0,0|2,0,0]=4 8586 B10R0.4 CCCOCCNCC(C)C 34a_100015185251_100000210303 [1,1,0,0,0,0|2,0,0]=4 8587 B10R0.4 CCCOCCNCC(C)C 34a_100161115042_100000210624 [1,1,0,0,0,0|2,0,0]=4 8588 B10R0.4 CCCOCCNCC(C)O 2230a_100000210904_100011215938 [1,1,0,0,0,0|1,0,0]=3 8589 B10R0.4 CCCOCCNCC(C)O 2230a_100161115042_100011218427 [1,1,0,0,0,0|1,0,0]=3 8590 B10R0.4 CCCOCCNCC(C)O 34a_100000210904_100011215938 [1,1,0,0,0,0|1,0,0]=3 8591 B10R0.4 CCCOCCNCC(C)O 34a_100161115042_100011218427 [1,1,0,0,0,0|1,0,0]=3 8592 B10R0.4 CCCOCCNC[C@@H](C)O 2230a_100161115042_100009817552 [1,1,0,0,0,0|1,0,0]=3 8593 B10R0.4 CCCOCCNC[C@@H](C)O 34a_100161115042_100009817552 [1,1,0,0,0,0|1,0,0]=3 8594 B10R0.4 CCCOCCOCC(C)Br 34a_100012180447_100011215938 [1,1,0,0,0,0|2,0,0]=4 8595 B10R0.4 CCCOCCOCC(C)C 34a_100000210257_100011215938 [1,1,0,0,0,0|2,0,0]=4 8596 B10R0.4 CCCOCCOCC(C)C 34a_100000703358_100000210303 [1,1,0,0,0,0|2,0,0]=4 8597 B10R0.4 CCCOCCOCC(C)C 34a_100000752267_100000210624 [1,1,0,0,0,0|2,0,0]=4 8598 B10R0.4 CCCOCCOCC(C)C 7a_100000703358_100000210303 [1,1,0,0,0,0|2,0,0]=4 8599 B10R0.4 CCCOCCOCC(C)C 7a_100000752267_100000210760 [1,1,0,0,0,0|2,0,0]=4 8600 B10R0.4 CCCOCCOCC(C)F 34a_100015925927_100011215938 [1,1,0,0,0,0|2,0,0]=4 8601 B10R0.4 CCCOCCOCC(C)O 34a_100000752267_100011218427 [1,1,0,0,0,0|1,0,0]=3 8602 B10R0.4 CCCOCCOCC(C)O 7a_100000752267_100011218427 [1,1,0,0,0,0|1,0,0]=3 8603 B10R0.4 CCCOCCOC[C@@H](C)Cl 34a_100016084084_100011215938 [1,1,0,0,0,0|2,0,0]=4 8604 B10R0.4 CCCOCCOC[C@@H](C)N 34a_100000737577_100011215938 [1,1,0,0,0,0|2,0,0]=4 8605 B10R0.4 CCCOCCOC[C@@H](C)O 34a_100000752267_100009817552 [1,1,0,0,0,0|1,0,0]=3 8606 B10R0.4 CCCOCCOC[C@@H](C)O 7a_100000752267_100009817552 [1,1,0,0,0,0|1,0,0]=3 8607 B10R0.4 CCCOCCSCC(C)C 34a_200000230437_100000210303 [1,1,0,0,0,0|2,0,0]=4 8608 B10R0.4 CCCOCCSCC(C)C 62a_100000210624_100011215938 [1,1,0,0,0,0|2,0,0]=4 8609 B10R0.4 CCCOCCSCC(C)C 62a_100011215938_100000210760 [1,1,0,0,0,0|2,0,0]=4 8610 B10R0.4 CCCOCCSCC(C)C 7a_200000230437_100000210303 [1,1,0,0,0,0|2,0,0]=4 8611 B10R0.4 CCCOCCSCC(C)O 62a_100011215938_100011218427 [1,1,0,0,0,0|1,0,0]=3 8612 B10R0.4 CCCOCCSCC(C)O 62a_100011218427_100011215938 [1,1,0,0,0,0|1,0,0]=3 8613 B10R0.4 CCCOCCSC[C@@H](C)O 62a_100009817552_100011215938 [1,1,0,0,0,0|1,0,0]=3 8614 B10R0.4 CCCOCCSC[C@@H](C)O 62a_100011215938_100009817552 [1,1,0,0,0,0|1,0,0]=3 8615 B10R0.4 CCCSCCCCB(O)O 62a_100000210303_200009817182 [1,1,0,0,0,0|2,0,0]=4 8616 B10R0.4 CCCSCCCCB(O)O 62a_200009817182_100000210303 [1,1,0,0,0,0|2,0,0]=4 8617 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [1,1,0,0,0,0|0,0,2]=4 8618 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [1,1,0,0,0,0|0,0,2]=4 8619 B10R0.4 CCCSCCCCC(C)C 62a_100000210303_100011216152 [1,1,0,0,0,0|1,0,0]=3 8620 B10R0.4 CCCSCCCCC(C)C 62a_100011216152_100000210303 [1,1,0,0,0,0|1,0,0]=3 8621 B10R0.4 CCCSCCCCN(C)C 62a_100000210303_100000690147 [1,1,0,0,0,0|2,0,0]=4 8622 B10R0.4 CCCSCCNCC(C)C 2230a_100020603323_100000210760 [1,1,0,0,0,0|2,0,0]=4 8623 B10R0.4 CCCSCCNCC(C)C 270004a_100020603323_100000210432 [1,1,0,0,0,0|2,0,0]=4 8624 B10R0.4 CCCSCCNCC(C)O 2230a_100020603323_100011218427 [1,1,0,0,0,0|1,0,0]=3 8625 B10R0.4 CCCSCCNC[C@@H](C)O 2230a_100020603323_100009817552 [1,1,0,0,0,0|1,0,0]=3 8626 B10R0.4 CCCSCCOCC(C)C 34a_200000230433_100000210624 [1,1,0,0,0,0|2,0,0]=4 8627 B10R0.4 CCCSCCOCC(C)C 7a_200000230433_100000210760 [1,1,0,0,0,0|2,0,0]=4 8628 B10R0.4 CCCSCCOCC(C)O 34a_200000230433_100011218427 [1,1,0,0,0,0|1,0,0]=3 8629 B10R0.4 CCCSCCOCC(C)O 7a_200000230433_100011218427 [1,1,0,0,0,0|1,0,0]=3 8630 B10R0.4 CCCSCCOC[C@@H](C)O 34a_200000230433_100009817552 [1,1,0,0,0,0|1,0,0]=3 8631 B10R0.4 CCCSCCOC[C@@H](C)O 7a_200000230433_100009817552 [1,1,0,0,0,0|1,0,0]=3 8632 B10R0.4 CCNCCCCCB(O)O 2230a_100015525214_200009817188 [1,1,0,0,0,0|2,0,0]=4 8633 B10R0.4 CCNCCCCCC(C)C 2230a_100011290863_100000210202 [1,1,0,0,0,0|1,0,0]=3 8634 B10R0.4 CCNCCCCCC(C)C 2230a_100015525214_100000210682 [1,1,0,0,0,0|1,0,0]=3 8635 B10R0.4 CCNCCCCCC(C)C 34a_100011290863_100000210202 [1,1,0,0,0,0|1,0,0]=3 8636 B10R0.4 CCNCCCOCC(C)C 2230a_100000205972_100000210202 [1,1,0,0,0,0|2,0,0]=4 8637 B10R0.4 CCNCCCOCC(C)C 34a_100000205972_100000210202 [1,1,0,0,0,0|2,0,0]=4 8638 B10R0.4 CCOCCCCCB(O)O 34a_100121572206_200009817188 [1,1,0,0,0,0|2,0,0]=4 8639 B10R0.4 CCOCCCCCC(C)C 34a_100011995859_100000210202 [1,1,0,0,0,0|1,0,0]=3 8640 B10R0.4 CCOCCCCCC(C)C 34a_100121572206_100000210682 [1,1,0,0,0,0|1,0,0]=3 8641 B10R0.4 CCOCCCCCC(C)C 7a_100011995859_100000210202 [1,1,0,0,0,0|1,0,0]=3 8642 B10R0.4 CCOCCCCNC(C)C 34a_100011521146_100000210202 [1,1,0,0,0,0|2,0,0]=4 8643 B10R0.4 CCOCCCNCC(C)C 2230a_100000210953_100012232248 [1,1,0,0,0,0|2,0,0]=4 8644 B10R0.4 CCOCCCNCC(C)C 2230a_100000210961_100000210760 [1,1,0,0,0,0|2,0,0]=4 8645 B10R0.4 CCOCCCNCC(C)C 270004a_100000210961_100000210432 [1,1,0,0,0,0|2,0,0]=4 8646 B10R0.4 CCOCCCNCC(C)C 34a_100000210953_100012232248 [1,1,0,0,0,0|2,0,0]=4 8647 B10R0.4 CCOCCCNCC(C)C 34a_100000210961_100000210624 [1,1,0,0,0,0|2,0,0]=4 8648 B10R0.4 CCOCCCNCC(C)O 2230a_100000210904_100012232248 [1,1,0,0,0,0|1,0,0]=3 8649 B10R0.4 CCOCCCNCC(C)O 2230a_100000210961_100011218427 [1,1,0,0,0,0|1,0,0]=3 8650 B10R0.4 CCOCCCNCC(C)O 34a_100000210904_100012232248 [1,1,0,0,0,0|1,0,0]=3 8651 B10R0.4 CCOCCCNCC(C)O 34a_100000210961_100011218427 [1,1,0,0,0,0|1,0,0]=3 8652 B10R0.4 CCOCCCNC[C@@H](C)O 2230a_100000210961_100009817552 [1,1,0,0,0,0|1,0,0]=3 8653 B10R0.4 CCOCCCNC[C@@H](C)O 34a_100000210961_100009817552 [1,1,0,0,0,0|1,0,0]=3 8654 B10R0.4 CCOCCCOCC(C)Br 34a_100012180447_100012232248 [1,1,0,0,0,0|2,0,0]=4 8655 B10R0.4 CCOCCCOCC(C)C 34a_100000210257_100012232248 [1,1,0,0,0,0|2,0,0]=4 8656 B10R0.4 CCOCCCOCC(C)C 34a_100000757476_100000210624 [1,1,0,0,0,0|2,0,0]=4 8657 B10R0.4 CCOCCCOCC(C)C 7a_100000757476_100000210760 [1,1,0,0,0,0|2,0,0]=4 8658 B10R0.4 CCOCCCOCC(C)F 34a_100015925927_100012232248 [1,1,0,0,0,0|2,0,0]=4 8659 B10R0.4 CCOCCCOCC(C)O 34a_100000757476_100011218427 [1,1,0,0,0,0|1,0,0]=3 8660 B10R0.4 CCOCCCOCC(C)O 7a_100000757476_100011218427 [1,1,0,0,0,0|1,0,0]=3 8661 B10R0.4 CCOCCCOC[C@@H](C)Cl 34a_100016084084_100012232248 [1,1,0,0,0,0|2,0,0]=4 8662 B10R0.4 CCOCCCOC[C@@H](C)N 34a_100000737577_100012232248 [1,1,0,0,0,0|2,0,0]=4 8663 B10R0.4 CCOCCCOC[C@@H](C)O 34a_100000757476_100009817552 [1,1,0,0,0,0|1,0,0]=3 8664 B10R0.4 CCOCCCOC[C@@H](C)O 7a_100000757476_100009817552 [1,1,0,0,0,0|1,0,0]=3 8665 B10R0.4 CCOCCCSCC(C)C 62a_100000210624_100012232248 [1,1,0,0,0,0|2,0,0]=4 8666 B10R0.4 CCOCCCSCC(C)C 62a_100012232248_100000210760 [1,1,0,0,0,0|2,0,0]=4 8667 B10R0.4 CCOCCCSCC(C)O 62a_100011218427_100012232248 [1,1,0,0,0,0|1,0,0]=3 8668 B10R0.4 CCOCCCSCC(C)O 62a_100012232248_100011218427 [1,1,0,0,0,0|1,0,0]=3 8669 B10R0.4 CCOCCCSC[C@@H](C)O 62a_100009817552_100012232248 [1,1,0,0,0,0|1,0,0]=3 8670 B10R0.4 CCOCCCSC[C@@H](C)O 62a_100012232248_100009817552 [1,1,0,0,0,0|1,0,0]=3 8671 B10R0.4 CCOCCNCCC(C)C 2230a_102516460346_100000210312 [1,1,0,0,0,0|2,0,0]=4 8672 B10R0.4 CCOCCNCCC(C)C 269862a_100011200944_100000185833 [1,1,0,0,0,0|2,0,0]=4 8673 B10R0.4 CCOCCNCCC(C)C 34a_102516460346_100000210312 [1,1,0,0,0,0|2,0,0]=4 8674 B10R0.4 CCOCCNCCC(C)O 2230a_102516460346_100012276601 [1,1,0,0,0,0|1,0,0]=3 8675 B10R0.4 CCOCCNCCC(C)O 2230a_200000755665_100011215890 [1,1,0,0,0,0|1,0,0]=3 8676 B10R0.4 CCOCCNCCC(C)O 34a_102516460346_100012276601 [1,1,0,0,0,0|1,0,0]=3 8677 B10R0.4 CCOCCOCCC(C)Br 34a_100009893172_100000210147 [1,1,0,0,0,0|2,0,0]=4 8678 B10R0.4 CCOCCOCCC(C)C 34a_100000210136_100000210312 [1,1,0,0,0,0|2,0,0]=4 8679 B10R0.4 CCOCCOCCC(C)C 34a_100000210254_100000210147 [1,1,0,0,0,0|2,0,0]=4 8680 B10R0.4 CCOCCOCCC(C)C 7a_100000210136_100000210626 [1,1,0,0,0,0|2,0,0]=4 8681 B10R0.4 CCOCCOCCC(C)C 7a_100000210254_100011215890 [1,1,0,0,0,0|2,0,0]=4 8682 B10R0.4 CCOCCOCCC(C)O 34a_100000210136_100012276601 [1,1,0,0,0,0|1,0,0]=3 8683 B10R0.4 CCOCCOCCC(C)O 7a_100000210136_100012276601 [1,1,0,0,0,0|1,0,0]=3 8684 B10R0.4 CCOCCOCC[C@@H](C)N 34a_100000706166_100000210147 [1,1,0,0,0,0|2,0,0]=4 8685 B10R0.4 CCOCCSCCC(C)C 62a_100000210147_100000210312 [1,1,0,0,0,0|2,0,0]=4 8686 B10R0.4 CCOCCSCCC(C)C 62a_100000210312_100011215890 [1,1,0,0,0,0|2,0,0]=4 8687 B10R0.4 CCOCCSCCC(C)O 62a_100000210147_100012276601 [1,1,0,0,0,0|1,0,0]=3 8688 B10R0.4 CCOCCSCCC(C)O 62a_100012276601_100011215890 [1,1,0,0,0,0|1,0,0]=3 8689 B10R0.4 CCOCSCCCC(C)C 62a_100000739092_100011214892 [1,1,0,0,0,0|2,0,0]=4 8690 B10R0.4 CCOCSCCCC(C)C 62a_100011214892_100000739092 [1,1,0,0,0,0|2,0,0]=4 8691 B10R0.4 CCOCSCCCC(C)O 62a_100000739092_200000718107 [1,1,0,0,0,0|1,0,0]=3 8692 B10R0.4 CCOCSCCCC(C)O 62a_200000718107_100000739092 [1,1,0,0,0,0|1,0,0]=3 8693 B10R0.4 CCSCCCCCB(O)O 62a_100000210202_200009817188 [1,1,0,0,0,0|2,0,0]=4 8694 B10R0.4 CCSCCCCCB(O)O 62a_200009817188_100000210202 [1,1,0,0,0,0|2,0,0]=4 8695 B10R0.4 CCSCCCCCC(C)C 62a_100000210202_100000210682 [1,1,0,0,0,0|1,0,0]=3 8696 B10R0.4 CCSCCCCCC(C)C 62a_100000210682_100000210202 [1,1,0,0,0,0|1,0,0]=3 8697 B10R0.4 CCSCCCOCC(C)C 34a_100011216438_100000210624 [1,1,0,0,0,0|2,0,0]=4 8698 B10R0.4 CCSCCCOCC(C)C 7a_100011216438_100000210760 [1,1,0,0,0,0|2,0,0]=4 8699 B10R0.4 CCSCCCOCC(C)O 34a_100011216438_100011218427 [1,1,0,0,0,0|1,0,0]=3 8700 B10R0.4 CCSCCCOCC(C)O 7a_100011216438_100011218427 [1,1,0,0,0,0|1,0,0]=3 8701 B10R0.4 CCSCCCOC[C@@H](C)O 34a_100011216438_100009817552 [1,1,0,0,0,0|1,0,0]=3 8702 B10R0.4 CCSCCCOC[C@@H](C)O 7a_100011216438_100009817552 [1,1,0,0,0,0|1,0,0]=3 8703 B10R0.4 CCSCCNCCC(C)C 2230a_100000106463_100000210312 [1,1,0,0,0,0|2,0,0]=4 8704 B10R0.4 CCSCCNCCC(C)C 269862a_100000106463_100000185833 [1,1,0,0,0,0|2,0,0]=4 8705 B10R0.4 CCSCCNCCC(C)O 2230a_100000106463_100012276601 [1,1,0,0,0,0|1,0,0]=3 8706 B10R0.4 CCSCCNCCC(C)O 2230a_200000755665_100000757381 [1,1,0,0,0,0|1,0,0]=3 8707 B10R0.4 CCSCCOCCC(C)Br 34a_100009893172_100000757381 [1,1,0,0,0,0|2,0,0]=4 8708 B10R0.4 CCSCCOCCC(C)C 34a_100000210254_100000757381 [1,1,0,0,0,0|2,0,0]=4 8709 B10R0.4 CCSCCOCCC(C)C 34a_100000212035_100000210312 [1,1,0,0,0,0|2,0,0]=4 8710 B10R0.4 CCSCCOCCC(C)C 7a_100000210254_100000757381 [1,1,0,0,0,0|2,0,0]=4 8711 B10R0.4 CCSCCOCCC(C)C 7a_100000212035_100000210626 [1,1,0,0,0,0|2,0,0]=4 8712 B10R0.4 CCSCCOCCC(C)O 34a_100000212035_100012276601 [1,1,0,0,0,0|1,0,0]=3 8713 B10R0.4 CCSCCOCCC(C)O 7a_100000212035_100012276601 [1,1,0,0,0,0|1,0,0]=3 8714 B10R0.4 CCSCCOCC[C@@H](C)N 34a_100000706166_100000757381 [1,1,0,0,0,0|2,0,0]=4 8715 B10R0.4 CCSCCSCCC(C)C 62a_100000210312_100000757381 [1,1,0,0,0,0|2,0,0]=4 8716 B10R0.4 CCSCCSCCC(C)C 62a_100000757381_100000210312 [1,1,0,0,0,0|2,0,0]=4 8717 B10R0.4 CCSCCSCCC(C)O 62a_100000757381_100012276601 [1,1,0,0,0,0|1,0,0]=3 8718 B10R0.4 CCSCCSCCC(C)O 62a_100012276601_100000757381 [1,1,0,0,0,0|1,0,0]=3 8719 B10R0.4 CN(C)CCCCCCCO 2230a_100102631434_100000760002 [1,1,0,0,0,0|2,0,0]=4 8720 B10R0.4 CN(C)CCCCCCCO 269982a_100102631434_100000760002 [1,1,0,0,0,0|2,0,0]=4 8721 B10R0.4 CNCCCCCCB(O)O 2230a_106832991635_100009817187 [1,1,0,0,0,0|2,0,0]=4 8722 B10R0.4 CNCCCCCCB(O)O 34a_100102657272_100009817187 [1,1,0,0,0,0|2,0,0]=4 8723 B10R0.4 CNCCCCCCB(O)O 7a_106832991635_100009817187 [1,1,0,0,0,0|2,0,0]=4 8724 B10R0.4 CNCCCCCCC(C)C 2230a_100000211014_200000210301 [1,1,0,0,0,0|1,0,0]=3 8725 B10R0.4 CNCCCCCCC(C)C 34a_100000211014_200000210301 [1,1,0,0,0,0|1,0,0]=3 8726 B10R0.4 CNCCCCCOC(C)C 34a_100000722520_100000210206 [1,1,0,0,0,0|2,0,0]=4 8727 B10R0.4 CNCCCOCCC(C)C 34a_100000213112_100000210312 [1,1,0,0,0,0|2,0,0]=4 8728 B10R0.4 CNCCCOCCC(C)O 34a_100000213112_100012276601 [1,1,0,0,0,0|1,0,0]=3 8729 B10R0.4 COCCCCCCB(O)O 34a_100138415774_100009817187 [1,1,0,0,0,0|2,0,0]=4 8730 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [1,1,0,0,0,0|0,0,2]=4 8731 B10R0.4 COCCCCCCN(C)C 2230a_100102631434_100011998445 [1,1,0,0,0,0|2,0,0]=4 8732 B10R0.4 COCCCCCCN(C)C 269982a_100102631434_100011998445 [1,1,0,0,0,0|2,0,0]=4 8733 B10R0.4 COCCCCCNC(C)C 2230a_100000747528_100000210206 [1,1,0,0,0,0|2,0,0]=4 8734 B10R0.4 COCCCCCNC(C)C 34a_100000747528_100000210206 [1,1,0,0,0,0|2,0,0]=4 8735 B10R0.4 COCCCCCNC(C)C 34a_100011629493_200000210301 [1,1,0,0,0,0|2,0,0]=4 8736 B10R0.4 COCCCCNCC(C)C 2230a_100000210953_100000730899 [1,1,0,0,0,0|2,0,0]=4 8737 B10R0.4 COCCCCNCC(C)C 34a_100000210953_100000755781 [1,1,0,0,0,0|2,0,0]=4 8738 B10R0.4 COCCCCNCC(C)O 2230a_100000210904_100000730899 [1,1,0,0,0,0|1,0,0]=3 8739 B10R0.4 COCCCCNCC(C)O 34a_100000210904_100000755781 [1,1,0,0,0,0|1,0,0]=3 8740 B10R0.4 COCCCCOCC(C)Br 34a_100012180447_100000755781 [1,1,0,0,0,0|2,0,0]=4 8741 B10R0.4 COCCCCOCC(C)C 34a_100000210257_100000755781 [1,1,0,0,0,0|2,0,0]=4 8742 B10R0.4 COCCCCOCC(C)C 34a_100000740925_100000210624 [1,1,0,0,0,0|2,0,0]=4 8743 B10R0.4 COCCCCOCC(C)F 34a_100015925927_100000755781 [1,1,0,0,0,0|2,0,0]=4 8744 B10R0.4 COCCCCOCC(C)O 34a_100000740925_100011218427 [1,1,0,0,0,0|1,0,0]=3 8745 B10R0.4 COCCCCOC[C@@H](C)Cl 34a_100016084084_100000755781 [1,1,0,0,0,0|2,0,0]=4 8746 B10R0.4 COCCCCOC[C@@H](C)N 34a_100000737577_100000755781 [1,1,0,0,0,0|2,0,0]=4 8747 B10R0.4 COCCCCOC[C@@H](C)O 34a_100000740925_100009817552 [1,1,0,0,0,0|1,0,0]=3 8748 B10R0.4 COCCCCSCC(C)C 62a_100000210624_100000730899 [1,1,0,0,0,0|2,0,0]=4 8749 B10R0.4 COCCCCSCC(C)C 62a_100000730899_100000210760 [1,1,0,0,0,0|2,0,0]=4 8750 B10R0.4 COCCCCSCC(C)O 62a_100000730899_100011218427 [1,1,0,0,0,0|1,0,0]=3 8751 B10R0.4 COCCCCSCC(C)O 62a_100011218427_100000730899 [1,1,0,0,0,0|1,0,0]=3 8752 B10R0.4 COCCCCSC[C@@H](C)O 62a_100000730899_100009817552 [1,1,0,0,0,0|1,0,0]=3 8753 B10R0.4 COCCCCSC[C@@H](C)O 62a_100009817552_100000730899 [1,1,0,0,0,0|1,0,0]=3 8754 B10R0.4 COCCCNCCC(C)C 269862a_100150723488_100000185833 [1,1,0,0,0,0|2,0,0]=4 8755 B10R0.4 COCCCNCCC(C)C 34a_100150723488_100000210312 [1,1,0,0,0,0|2,0,0]=4 8756 B10R0.4 COCCCNCCC(C)O 2230a_200000755665_100000740836 [1,1,0,0,0,0|1,0,0]=3 8757 B10R0.4 COCCCNCCC(C)O 34a_100150723488_100012276601 [1,1,0,0,0,0|1,0,0]=3 8758 B10R0.4 COCCCOCCC(C)Br 34a_100009893172_100000740836 [1,1,0,0,0,0|2,0,0]=4 8759 B10R0.4 COCCCOCCC(C)C 34a_100000210254_100000740836 [1,1,0,0,0,0|2,0,0]=4 8760 B10R0.4 COCCCOCCC(C)C 34a_100000740835_100000210312 [1,1,0,0,0,0|2,0,0]=4 8761 B10R0.4 COCCCOCCC(C)C 7a_100000210254_100000740836 [1,1,0,0,0,0|2,0,0]=4 8762 B10R0.4 COCCCOCCC(C)O 34a_100000740835_100012276601 [1,1,0,0,0,0|1,0,0]=3 8763 B10R0.4 COCCCOCC[C@@H](C)N 34a_100000706166_100000740836 [1,1,0,0,0,0|2,0,0]=4 8764 B10R0.4 COCCCSCCC(C)C 62a_100000210312_100000709357 [1,1,0,0,0,0|2,0,0]=4 8765 B10R0.4 COCCCSCCC(C)C 62a_100000709357_100000210312 [1,1,0,0,0,0|2,0,0]=4 8766 B10R0.4 COCCCSCCC(C)O 62a_100000709357_100012276601 [1,1,0,0,0,0|1,0,0]=3 8767 B10R0.4 COCCCSCCC(C)O 62a_100012276601_100000709357 [1,1,0,0,0,0|1,0,0]=3 8768 B10R0.4 COCCNCCCC(C)C 2230a_100000209980_100011214892 [1,1,0,0,0,0|2,0,0]=4 8769 B10R0.4 COCCNCCCC(C)C 2230a_200000737386_100011201679 [1,1,0,0,0,0|2,0,0]=4 8770 B10R0.4 COCCNCCCC(C)C 34a_200000737386_100011201679 [1,1,0,0,0,0|2,0,0]=4 8771 B10R0.4 COCCNCCCC(C)O 2230a_100000209980_200000718107 [1,1,0,0,0,0|1,0,0]=3 8772 B10R0.4 COCCOCCCC(C)C 34a_100000210237_100011214892 [1,1,0,0,0,0|2,0,0]=4 8773 B10R0.4 COCCOCCCC(C)C 34a_100000210774_100011201679 [1,1,0,0,0,0|2,0,0]=4 8774 B10R0.4 COCCOCCCC(C)C 7a_100000210774_100000233755 [1,1,0,0,0,0|2,0,0]=4 8775 B10R0.4 COCCOCCCC(C)O 34a_100000210237_200000718107 [1,1,0,0,0,0|1,0,0]=3 8776 B10R0.4 COCCOCNCC(C)O 2230a_100000210904_100000231047 [1,1,0,0,0,0|2,0,0]=4 8777 B10R0.4 COCCOCSCC(C)O 62a_100000231047_100011218427 [1,1,0,0,0,0|2,0,0]=4 8778 B10R0.4 COCCOCSCC(C)O 62a_100011218427_100000231047 [1,1,0,0,0,0|2,0,0]=4 8779 B10R0.4 COCCOCSC[C@@H](C)O 62a_100000231047_100009817552 [1,1,0,0,0,0|2,0,0]=4 8780 B10R0.4 COCCOCSC[C@@H](C)O 62a_100009817552_100000231047 [1,1,0,0,0,0|2,0,0]=4 8781 B10R0.4 COCCSCCCC(C)C 62a_100000233755_100011214892 [1,1,0,0,0,0|2,0,0]=4 8782 B10R0.4 COCCSCCCC(C)C 62a_100011214892_100000233755 [1,1,0,0,0,0|2,0,0]=4 8783 B10R0.4 COCCSCCCC(C)O 62a_100000233755_200000718107 [1,1,0,0,0,0|1,0,0]=3 8784 B10R0.4 COCCSCCCC(C)O 62a_200000718107_100000233755 [1,1,0,0,0,0|1,0,0]=3 8785 B10R0.4 COCSCCCCC(C)C 62a_100000766300_100011216152 [1,1,0,0,0,0|2,0,0]=4 8786 B10R0.4 COCSCCCCC(C)C 62a_100011216152_100000766300 [1,1,0,0,0,0|2,0,0]=4 8787 B10R0.4 CSCCCCCCB(O)O 62a_100009817187_200000210301 [1,1,0,0,0,0|2,0,0]=4 8788 B10R0.4 CSCCCCCCB(O)O 62a_200000210301_100009817187 [1,1,0,0,0,0|2,0,0]=4 8789 B10R0.4 CSCCCCOCC(C)C 34a_100011217163_100000210624 [1,1,0,0,0,0|2,0,0]=4 8790 B10R0.4 CSCCCCOCC(C)C 7a_100011217163_100000210760 [1,1,0,0,0,0|2,0,0]=4 8791 B10R0.4 CSCCCCOCC(C)O 34a_100011217163_100011218427 [1,1,0,0,0,0|1,0,0]=3 8792 B10R0.4 CSCCCCOCC(C)O 7a_100011217163_100011218427 [1,1,0,0,0,0|1,0,0]=3 8793 B10R0.4 CSCCCCOC[C@@H](C)O 34a_100011217163_100009817552 [1,1,0,0,0,0|1,0,0]=3 8794 B10R0.4 CSCCCCOC[C@@H](C)O 7a_100011217163_100009817552 [1,1,0,0,0,0|1,0,0]=3 8795 B10R0.4 CSCCCNCCC(C)C 2230a_100000749238_100000210312 [1,1,0,0,0,0|2,0,0]=4 8796 B10R0.4 CSCCCNCCC(C)C 269862a_100000749238_100000185833 [1,1,0,0,0,0|2,0,0]=4 8797 B10R0.4 CSCCCNCCC(C)O 2230a_100000749238_100012276601 [1,1,0,0,0,0|1,0,0]=3 8798 B10R0.4 CSCCCOCCC(C)C 34a_100000690336_100000210312 [1,1,0,0,0,0|2,0,0]=4 8799 B10R0.4 CSCCCOCCC(C)C 7a_100000690336_100000210626 [1,1,0,0,0,0|2,0,0]=4 8800 B10R0.4 CSCCCOCCC(C)O 34a_100000690336_100012276601 [1,1,0,0,0,0|1,0,0]=3 8801 B10R0.4 CSCCCOCCC(C)O 7a_100000690336_100012276601 [1,1,0,0,0,0|1,0,0]=3 8802 B10R0.4 CSCCNCCCC(C)C 2230a_100020590264_100011214892 [1,1,0,0,0,0|2,0,0]=4 8803 B10R0.4 CSCCNCCCC(C)C 2230a_200000737386_100000751147 [1,1,0,0,0,0|2,0,0]=4 8804 B10R0.4 CSCCNCCCC(C)C 34a_200000737386_100000212216 [1,1,0,0,0,0|2,0,0]=4 8805 B10R0.4 CSCCNCCCC(C)O 2230a_100020590264_200000718107 [1,1,0,0,0,0|1,0,0]=3 8806 B10R0.4 CSCCOCCCC(C)C 34a_100000210774_100000212216 [1,1,0,0,0,0|2,0,0]=4 8807 B10R0.4 CSCCOCCCC(C)C 34a_100000230434_100011214892 [1,1,0,0,0,0|2,0,0]=4 8808 B10R0.4 CSCCOCCCC(C)C 7a_100000210774_100000212216 [1,1,0,0,0,0|2,0,0]=4 8809 B10R0.4 CSCCOCCCC(C)C 7a_100000230434_100011214892 [1,1,0,0,0,0|2,0,0]=4 8810 B10R0.4 CSCCOCCCC(C)O 34a_100000230434_200000718107 [1,1,0,0,0,0|1,0,0]=3 8811 B10R0.4 CSCCOCCCC(C)O 7a_100000230434_200000718107 [1,1,0,0,0,0|1,0,0]=3 8812 B10R0.4 CSCCSCCCC(C)C 62a_100000212216_100011214892 [1,1,0,0,0,0|2,0,0]=4 8813 B10R0.4 CSCCSCCCC(C)C 62a_100011214892_100000751147 [1,1,0,0,0,0|2,0,0]=4 8814 B10R0.4 CSCCSCCCC(C)O 62a_100000212216_200000718107 [1,1,0,0,0,0|1,0,0]=3 8815 B10R0.4 CSCCSCCCC(C)O 62a_200000718107_100000751147 [1,1,0,0,0,0|1,0,0]=3 8816 B10R0.4 CSCOCCCCC(C)C 34a_100011214890_100011218213 [1,1,0,0,0,0|2,0,0]=4 8817 B10R0.4 CSCSCCCCC(C)C 62a_100011216152_100011218213 [1,1,0,0,0,0|2,0,0]=4 8818 B10R0.4 CSCSCCCCC(C)C 62a_100011218213_100011216152 [1,1,0,0,0,0|2,0,0]=4 8819 B10R0.4 C[C@@H](Cl)COCCCCCF 34a_100016084084_100000729378 [1,1,0,0,0,0|2,0,0]=4 8820 B10R0.4 C[C@@H](Cl)COCCCCCO 34a_100016084084_100000746330 [1,1,0,0,0,0|2,0,0]=4 8821 B10R0.4 C[C@@H](N)CCOCCCCF 34a_100000706166_100000729493 [1,1,0,0,0,0|2,0,0]=4 8822 B10R0.4 C[C@@H](N)CCOCCCCO 34a_100000706166_100011216708 [1,1,0,0,0,0|2,0,0]=4 8823 B10R0.4 C[C@@H](N)COCCCCCF 34a_100000737577_100000729378 [1,1,0,0,0,0|2,0,0]=4 8824 B10R0.4 C[C@@H](N)COCCCCCO 34a_100000737577_100000746330 [1,1,0,0,0,0|2,0,0]=4 8825 B10R0.4 C[C@@H](O)CNCCCCCO 2230a_100000762737_100009817552 [1,1,0,0,0,0|1,0,0]=3 8826 B10R0.4 C[C@@H](O)CNCCCCCO 34a_100000762737_100009817552 [1,1,0,0,0,0|1,0,0]=3 8827 B10R0.4 C[C@@H](O)CNCCOCCO 2230a_100000211614_100009817552 [1,1,0,0,0,0|2,0,0]=4 8828 B10R0.4 C[C@@H](O)CNCCOCCO 34a_100000211614_100009817552 [1,1,0,0,0,0|2,0,0]=4 8829 B10R0.4 C[C@@H](O)CNCCSCCO 2230a_100011219999_100009817552 [1,1,0,0,0,0|2,0,0]=4 8830 B10R0.4 C[C@@H](O)COCCCCCBr 34a_100000746331_100009817552 [1,1,0,0,0,0|1,0,0]=3 8831 B10R0.4 C[C@@H](O)COCCCCCBr 7a_100000746331_100009817552 [1,1,0,0,0,0|1,0,0]=3 8832 B10R0.4 C[C@@H](O)COCCCCCCl 34a_100000746330_100009817552 [1,1,0,0,0,0|1,0,0]=3 8833 B10R0.4 C[C@@H](O)COCCCCCCl 7a_100000746330_100009817552 [1,1,0,0,0,0|1,0,0]=3 8834 B10R0.4 C[C@@H](O)COCCCCCI 34a_200012148887_100009817552 [1,1,0,0,0,0|1,0,0]=3 8835 B10R0.4 C[C@@H](O)COCCCCCI 7a_200012148887_100009817552 [1,1,0,0,0,0|1,0,0]=3 8836 B10R0.4 C[C@@H](O)COCCCCCN 34a_100000762737_100009817552 [1,1,0,0,0,0|1,0,0]=3 8837 B10R0.4 C[C@@H](O)COCCOCCBr 34a_100000692535_100009817552 [1,1,0,0,0,0|2,0,0]=4 8838 B10R0.4 C[C@@H](O)COCCOCCBr 7a_100000692535_100009817552 [1,1,0,0,0,0|2,0,0]=4 8839 B10R0.4 C[C@@H](O)COCCOCCCl 34a_100011215305_100009817552 [1,1,0,0,0,0|2,0,0]=4 8840 B10R0.4 C[C@@H](O)COCCOCCCl 7a_100011215305_100009817552 [1,1,0,0,0,0|2,0,0]=4 8841 B10R0.4 C[C@@H](O)COCCOCCF 34a_200015357709_100009817552 [1,1,0,0,0,0|2,0,0]=4 8842 B10R0.4 C[C@@H](O)COCCOCCF 7a_200015357709_100009817552 [1,1,0,0,0,0|2,0,0]=4 8843 B10R0.4 C[C@@H](O)COCCOCCI 34a_100012149058_100009817552 [1,1,0,0,0,0|2,0,0]=4 8844 B10R0.4 C[C@@H](O)COCCOCCI 7a_100012149058_100009817552 [1,1,0,0,0,0|2,0,0]=4 8845 B10R0.4 C[C@@H](O)COCCOCCN 34a_100000211614_100009817552 [1,1,0,0,0,0|2,0,0]=4 8846 B10R0.4 C[C@@H](O)CSCCCCC#N 62a_100009817552_100000211819 [1,1,0,0,0,0|1,0,1]=4 8847 B10R0.4 C[C@@H](O)CSCCCCC#N 62a_100011219923_100009817552 [1,1,0,0,0,0|1,0,1]=4 8848 B10R0.4 C[C@@H](O)CSCCCCC=O 62a_100000139335_100009817552 [1,1,0,0,0,0|1,0,1]=4 8849 B10R0.4 C[C@@H](O)CSCCCCC=O 62a_100009817552_100000139335 [1,1,0,0,0,0|1,0,1]=4 8850 B10R0.4 C[C@@H](O)CSCCCCCF 62a_100000729378_100009817552 [1,1,0,0,0,0|1,0,0]=3 8851 B10R0.4 C[C@@H](O)CSCCCCCF 62a_100009817552_100000729378 [1,1,0,0,0,0|1,0,0]=3 8852 B10R0.4 C[C@@H](O)CSCCCCCO 62a_100000746330_100009817552 [1,1,0,0,0,0|1,0,0]=3 8853 B10R0.4 C[C@@H](O)CSCCCCCO 62a_100009817552_100000746330 [1,1,0,0,0,0|1,0,0]=3 8854 B10R0.4 C[C@@H](O)CSCCOCCO 62a_100009817552_100011215305 [1,1,0,0,0,0|2,0,0]=4 8855 B10R0.4 C[C@@H](O)CSCCOCCO 62a_100011215305_100009817552 [1,1,0,0,0,0|2,0,0]=4 8856 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [1,1,0,0,0,0|0,0,2]=4 8857 B10R0.4 [13CH3]SCCCCCCB(O)O 62a_100009817187_200025704644 [1,1,0,0,0,0|2,0,0]=4 8858 B10R0.4 [13CH3]SCCCCCCB(O)O 62a_200025704644_100009817187 [1,1,0,0,0,0|2,0,0]=4 8859 B10R0.6 CC(O)CC(=O)CCCCO 1458a_100000695505_100011218427 [1,1,0,0,0,0|1,0,1]=4 8860 B10R0.6 CC(O)CN(C)CCCCF 2230a_100000227577_100000729493 [1,1,0,0,0,0|2,0,0]=4 8861 B10R0.6 CC(O)CN(C)CCCCF 269982a_100000227577_100000729493 [1,1,0,0,0,0|2,0,0]=4 8862 B10R0.6 CC(O)CN(C)CCCCO 2230a_100000227577_100000210776 [1,1,0,0,0,0|2,0,0]=4 8863 B10R0.6 CC(O)CN(C)CCCCO 2230a_100000717598_100011218427 [1,1,0,0,0,0|2,0,0]=4 8864 B10R0.6 CC(O)CN(C)CCCCO 269982a_100000227577_100000210776 [1,1,0,0,0,0|2,0,0]=4 8865 B10R0.6 CC(O)CN(C)CCCCO 269982a_100000717598_100011218427 [1,1,0,0,0,0|2,0,0]=4 8866 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000210554_100000210326 [1,1,0,0,0,0|1,0,1]=4 8867 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000212188_100000210624 [1,1,0,0,0,0|1,0,1]=4 8868 B10R0.6 CCCCCC(=O)CC(C)O 1458a_100000212188_100011218427 [1,1,0,0,0,0|0,0,1]=3 8869 B10R0.6 CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210326 [1,1,0,0,0,0|0,0,1]=3 8870 B10R0.6 CCCCCC(C)NC(C)C 2230a_100000211957_100000210206 [1,1,0,0,0,0|2,0,0]=4 8871 B10R0.6 CCCCCC(C)NC(C)C 2230a_100138425928_200011218191 [1,1,0,0,0,0|2,0,0]=4 8872 B10R0.6 CCCCCC(C)NC(C)C 34a_100138425928_200011218191 [1,1,0,0,0,0|2,0,0]=4 8873 B10R0.6 CCCCCC(C)OC(C)C 34a_100000212225_200011218191 [1,1,0,0,0,0|2,0,0]=4 8874 B10R0.6 CCCCCC(C)OC(C)C 34a_100011215632_100000210206 [1,1,0,0,0,0|2,0,0]=4 8875 B10R0.6 CCCCCC(C)OC(C)C 7a_100011215632_100000210206 [1,1,0,0,0,0|2,0,0]=4 8876 B10R0.6 CCCCCC(C)SC(C)C 62a_100000210206_200011218191 [1,1,0,0,0,0|2,0,0]=4 8877 B10R0.6 CCCCCC(C)SC(C)C 62a_200011218191_100000210206 [1,1,0,0,0,0|2,0,0]=4 8878 B10R0.6 CCCCCN(C)CC(C)C 2230a_100000223495_100000210760 [1,1,0,0,0,0|2,0,0]=4 8879 B10R0.6 CCCCCN(C)CC(C)C 2230a_100000747067_100000210326 [1,1,0,0,0,0|2,0,0]=4 8880 B10R0.6 CCCCCN(C)CC(C)C 269982a_100000223495_100000210624 [1,1,0,0,0,0|2,0,0]=4 8881 B10R0.6 CCCCCN(C)CC(C)C 269982a_100000747067_100000210215 [1,1,0,0,0,0|2,0,0]=4 8882 B10R0.6 CCCCCN(C)CC(C)C 270004a_100000223495_100000210432 [1,1,0,0,0,0|2,0,0]=4 8883 B10R0.6 CCCCCN(C)CC(C)O 2230a_100000223495_100011218427 [1,1,0,0,0,0|1,0,0]=3 8884 B10R0.6 CCCCCN(C)CC(C)O 2230a_100000227577_100000210326 [1,1,0,0,0,0|1,0,0]=3 8885 B10R0.6 CCCCCN(C)CC(C)O 269982a_100000223495_100011218427 [1,1,0,0,0,0|1,0,0]=3 8886 B10R0.6 CCCCCN(C)CC(C)O 269982a_100000227577_100000210215 [1,1,0,0,0,0|1,0,0]=3 8887 B10R0.6 CCCCCN(C)C[C@@H](C)O 2230a_100000223495_100009817552 [1,1,0,0,0,0|1,0,0]=3 8888 B10R0.6 CCCCCN(C)C[C@@H](C)O 269982a_100000223495_100009817552 [1,1,0,0,0,0|1,0,0]=3 8889 B10R0.6 CCCCNC(=O)C[C@@H](C)O 240690a_100000102301_100011933948 [1,1,0,0,0,0|1,0,1]=4 8890 B10R0.6 CCCCNC(C)CC(C)C 2230a_100000102301_100000731052 [1,1,0,0,0,0|2,0,0]=4 8891 B10R0.6 CCCCNC(C)CC(C)C 2230a_100000692259_100000210211 [1,1,0,0,0,0|2,0,0]=4 8892 B10R0.6 CCCCNC(C)CC(C)C 7a_106832991798_100000731052 [1,1,0,0,0,0|2,0,0]=4 8893 B10R0.6 CCCCOC(C)CC(C)C 34a_100000210227_100000731052 [1,1,0,0,0,0|2,0,0]=4 8894 B10R0.6 CCCCOC(C)CC(C)C 34a_100000211805_100000210210 [1,1,0,0,0,0|2,0,0]=4 8895 B10R0.6 CCCCOC(C)CC(C)C 7a_100000210227_100000731052 [1,1,0,0,0,0|2,0,0]=4 8896 B10R0.6 CCCCOC(C)CC(C)C 7a_100000211805_100000210211 [1,1,0,0,0,0|2,0,0]=4 8897 B10R0.6 CCCCSC(C)CC(C)C 62a_100000210211_100000731052 [1,1,0,0,0,0|2,0,0]=4 8898 B10R0.6 CCCCSC(C)CC(C)C 62a_100000731052_100000210210 [1,1,0,0,0,0|2,0,0]=4 8899 B10R0.6 CCCOCC(=O)CC(C)O 1458a_100000745993_100011218427 [1,1,0,0,0,0|1,0,1]=4 8900 B10R0.6 CCCOC[C@@H](N)CC(C)C 34a_100011830311_100000210303 [1,1,0,0,0,0|2,0,0]=4 8901 B10R0.6 CCCSCC(=O)CC(C)O 1458a_100000217233_100011218427 [1,1,0,0,0,0|1,0,1]=4 8902 B10R0.6 CCOCCC(=O)CC(C)O 1458a_100000749530_100011218427 [1,1,0,0,0,0|1,0,1]=4 8903 B10R0.6 CCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215890 [1,1,0,0,0,0|1,0,1]=4 8904 B10R0.6 CCOCCN(C)CC(C)O 2230a_100000227577_100011215890 [1,1,0,0,0,0|2,0,0]=4 8905 B10R0.6 CCOCCN(C)CC(C)O 269982a_100000227577_100011215890 [1,1,0,0,0,0|2,0,0]=4 8906 B10R0.6 CCOCC[C@@H](N)CC(C)C 34a_100161151251_100000210202 [1,1,0,0,0,0|2,0,0]=4 8907 B10R0.6 CCSCCC(=O)CC(C)O 1458a_100000230768_100011218427 [1,1,0,0,0,0|1,0,1]=4 8908 B10R0.6 CCSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000757381 [1,1,0,0,0,0|1,0,1]=4 8909 B10R0.6 CCSCCN(C)CC(C)O 2230a_100000227577_100000757381 [1,1,0,0,0,0|2,0,0]=4 8910 B10R0.6 CCSCCN(C)CC(C)O 269982a_100000227577_100000757381 [1,1,0,0,0,0|2,0,0]=4 8911 B10R0.6 COCCCC(=O)CC(C)O 1458a_100000741012_100011218427 [1,1,0,0,0,0|1,0,1]=4 8912 B10R0.6 COCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000740836 [1,1,0,0,0,0|1,0,1]=4 8913 B10R0.6 COCCCN(C)CC(C)O 2230a_100000224831_100011218427 [1,1,0,0,0,0|2,0,0]=4 8914 B10R0.6 COCCCN(C)CC(C)O 2230a_100000227577_100000740836 [1,1,0,0,0,0|2,0,0]=4 8915 B10R0.6 COCCCN(C)CC(C)O 269982a_100000224831_100011218427 [1,1,0,0,0,0|2,0,0]=4 8916 B10R0.6 COCCCN(C)CC(C)O 269982a_100000227577_100000740836 [1,1,0,0,0,0|2,0,0]=4 8917 B10R0.6 COCCCN(C)C[C@@H](C)O 2230a_100000224831_100009817552 [1,1,0,0,0,0|2,0,0]=4 8918 B10R0.6 COCCCN(C)C[C@@H](C)O 269982a_100000224831_100009817552 [1,1,0,0,0,0|2,0,0]=4 8919 B10R0.6 CSCCCC(=O)CC(C)O 1458a_100000173376_100011218427 [1,1,0,0,0,0|1,0,1]=4 8920 B10R0.6 C[C@@H](O)CC(=O)CCCCF 1458a_100011933948_100000729493 [1,1,0,0,0,0|1,0,1]=4 8921 B10R0.6 C[C@@H](O)CC(=O)CCCCO 1458a_100011933948_100000210776 [1,1,0,0,0,0|1,0,1]=4 8922 B10R0.6 C[C@@H](O)CN(C)CCCCO 2230a_100000717598_100009817552 [1,1,0,0,0,0|2,0,0]=4 8923 B10R0.6 C[C@@H](O)CN(C)CCCCO 269982a_100000717598_100009817552 [1,1,0,0,0,0|2,0,0]=4 8924 B10R0.22 CC(C)(O)CCCCCS[13CH3] 62a_100010402123_200025704644 [1,1,0,0,0,0|1,0,0]=3 8925 B10R0.22 CC(C)(O)CCCCCS[13CH3] 62a_200025704644_100010402123 [1,1,0,0,0,0|1,0,0]=3 8926 B10R0.22 CC(C)(O)CCCNCCF 34a_100000724931_100009888830 [1,1,0,0,0,0|2,0,0]=4 8927 B10R0.22 CC(C)(O)CCCNCCO 2230a_100016997473_100009888830 [1,1,0,0,0,0|2,0,0]=4 8928 B10R0.22 CC(C)(O)CCCNCCO 34a_100016990907_100009888830 [1,1,0,0,0,0|2,0,0]=4 8929 B10R0.22 CC(C)(O)CCCOCCBr 34a_100000211926_100009888830 [1,1,0,0,0,0|2,0,0]=4 8930 B10R0.22 CC(C)(O)CCCOCCN 34a_100000210304_100009888830 [1,1,0,0,0,0|2,0,0]=4 8931 B10R0.22 CC(C)(O)CCCSCCF 62a_100009888830_100011217306 [1,1,0,0,0,0|2,0,0]=4 8932 B10R0.22 CC(C)(O)CCCSCCF 62a_100011217306_100009888830 [1,1,0,0,0,0|2,0,0]=4 8933 B10R0.22 CC(C)(O)CCCSCCO 62a_100000211926_100009888830 [1,1,0,0,0,0|2,0,0]=4 8934 B10R0.22 CC(C)(O)CCCSCCO 62a_100009888830_100000211926 [1,1,0,0,0,0|2,0,0]=4 8935 B10R0.22 CC(C)(O)CCNCCCF 2230a_100015189416_100000702414 [1,1,0,0,0,0|2,0,0]=4 8936 B10R0.22 CC(C)(O)CCNCCCF 34a_100015189416_100000702414 [1,1,0,0,0,0|2,0,0]=4 8937 B10R0.22 CC(C)(O)CCOCCCBr 34a_100011217188_100000702414 [1,1,0,0,0,0|2,0,0]=4 8938 B10R0.22 CC(C)(O)CCOCCCCl 34a_100000230001_100000702414 [1,1,0,0,0,0|2,0,0]=4 8939 B10R0.22 CC(C)(O)CCOCCCF 34a_100000759539_100000702414 [1,1,0,0,0,0|2,0,0]=4 8940 B10R0.22 CC(C)(O)CCOCCCN 34a_100000182051_100000702414 [1,1,0,0,0,0|2,0,0]=4 8941 B10R0.22 CC(C)(O)CCSCCCF 62a_100000702414_100011934791 [1,1,0,0,0,0|2,0,0]=4 8942 B10R0.22 CC(C)(O)CCSCCCF 62a_100011934791_100000702414 [1,1,0,0,0,0|2,0,0]=4 8943 B10R0.22 CC(C)(O)CCSCCCO 62a_100000702414_100011215043 [1,1,0,0,0,0|2,0,0]=4 8944 B10R0.22 CC(C)(O)CCSCCCO 62a_100011215043_100000702414 [1,1,0,0,0,0|2,0,0]=4 8945 B10R0.22 CC(C)(O)CNCCCCF 2230a_100000751335_100000729493 [1,1,0,0,0,0|2,0,0]=4 8946 B10R0.22 CC(C)(O)CNCCCCO 2230a_100000751335_100000210776 [1,1,0,0,0,0|2,0,0]=4 8947 B10R0.22 CC(C)(O)CNCCCCO 34a_100000750430_100000764493 [1,1,0,0,0,0|2,0,0]=4 8948 B10R0.22 CC(C)(O)COCCCCBr 34a_100011216708_100000764493 [1,1,0,0,0,0|2,0,0]=4 8949 B10R0.22 CC(C)(O)COCCCCCl 34a_100000210776_100000764493 [1,1,0,0,0,0|2,0,0]=4 8950 B10R0.22 CC(C)(O)COCCCCCl 7a_100000210776_100000764493 [1,1,0,0,0,0|2,0,0]=4 8951 B10R0.22 CC(C)(O)COCCCCF 34a_100011995726_100000764493 [1,1,0,0,0,0|2,0,0]=4 8952 B10R0.22 CC(C)(O)COCCCCF 7a_100011995726_100000764493 [1,1,0,0,0,0|2,0,0]=4 8953 B10R0.22 CC(C)(O)COCCCCI 34a_200012148704_100000764493 [1,1,0,0,0,0|2,0,0]=4 8954 B10R0.22 CC(C)(O)COCCCCN 34a_100000750430_100000764493 [1,1,0,0,0,0|2,0,0]=4 8955 B10R0.22 CC(C)(O)CSCCCCF 62a_100000729493_100000764493 [1,1,0,0,0,0|2,0,0]=4 8956 B10R0.22 CC(C)(O)CSCCCCF 62a_100000764493_100000729493 [1,1,0,0,0,0|2,0,0]=4 8957 B10R0.22 CC(C)(O)CSCCCCO 62a_100000210776_100000764493 [1,1,0,0,0,0|2,0,0]=4 8958 B10R0.22 CC(C)(O)CSCCCCO 62a_100000764493_100000210776 [1,1,0,0,0,0|2,0,0]=4 8959 B10R0.22 CCCCCCNC(C)(C)C 2230a_100000715429_100000210314 [1,1,0,0,0,0|2,0,0]=4 8960 B10R0.22 CCCCCCOC(C)(C)C 34a_100000210259_100000210625 [1,1,0,0,0,0|2,0,0]=4 8961 B10R0.22 CCCCCCOC(C)(C)C 34a_100015890283_100000210314 [1,1,0,0,0,0|2,0,0]=4 8962 B10R0.22 CCCCCCOC(C)(C)C 7a_100015890283_100000210314 [1,1,0,0,0,0|2,0,0]=4 8963 B10R0.22 CCCCCCSC(C)(C)C 62a_100000210314_100000211941 [1,1,0,0,0,0|2,0,0]=4 8964 B10R0.22 CCCCCCSC(C)(C)C 62a_100000211941_100000210757 [1,1,0,0,0,0|2,0,0]=4 8965 B10R0.22 CCCCCNCC(C)(C)C 2230a_100000743828_100000210326 [1,1,0,0,0,0|2,0,0]=4 8966 B10R0.22 CCCCCNCC(C)(C)C 270004a_100000209983_100011204126 [1,1,0,0,0,0|2,0,0]=4 8967 B10R0.22 CCCCCNCC(C)(C)F 2230a_100020643315_100000210326 [1,1,0,0,0,0|2,0,0]=4 8968 B10R0.22 CCCCCNCC(C)(C)O 2230a_100000751335_100000210326 [1,1,0,0,0,0|1,0,0]=3 8969 B10R0.22 CCCCCOCC(C)(C)C 34a_100000210253_100011219605 [1,1,0,0,0,0|2,0,0]=4 8970 B10R0.22 CCCCCOCC(C)(C)F 34a_100000210253_100011997219 [1,1,0,0,0,0|2,0,0]=4 8971 B10R0.22 CCCCCOCC(C)(C)F 34a_100000716592_100000718602 [1,1,0,0,0,0|2,0,0]=4 8972 B10R0.22 CCCCCOCC(C)(C)O 34a_100000210253_100000764493 [1,1,0,0,0,0|1,0,0]=3 8973 B10R0.22 CCCCCOCC(C)(C)O 7a_100000210253_100000764493 [1,1,0,0,0,0|1,0,0]=3 8974 B10R0.22 CCCCCOCC(C)(F)F 34a_100000068830_100000718602 [1,1,0,0,0,0|2,0,0]=4 8975 B10R0.22 CCCCCSCC(C)(C)C 62a_100000210326_100011219605 [1,1,0,0,0,0|2,0,0]=4 8976 B10R0.22 CCCCCSCC(C)(C)C 62a_100011219605_100000210326 [1,1,0,0,0,0|2,0,0]=4 8977 B10R0.22 CCCCCSCC(C)(C)F 62a_100000210326_100011997219 [1,1,0,0,0,0|2,0,0]=4 8978 B10R0.22 CCCCCSCC(C)(C)F 62a_100011997219_100000210326 [1,1,0,0,0,0|2,0,0]=4 8979 B10R0.22 CCCCCSCC(C)(C)O 62a_100000210326_100000764493 [1,1,0,0,0,0|1,0,0]=3 8980 B10R0.22 CCCCCSCC(C)(C)O 62a_100000764493_100000210326 [1,1,0,0,0,0|1,0,0]=3 8981 B10R0.22 CCCCNCCC(C)(C)C 2230a_100000102301_100000755188 [1,1,0,0,0,0|2,0,0]=4 8982 B10R0.22 CCCCNCCC(C)(C)C 2230a_100000738805_100000210211 [1,1,0,0,0,0|2,0,0]=4 8983 B10R0.22 CCCCNCCC(C)(C)C 7a_106832991798_100000755188 [1,1,0,0,0,0|2,0,0]=4 8984 B10R0.22 CCCCNCCC(C)(C)F 2230a_100016253952_100000210211 [1,1,0,0,0,0|2,0,0]=4 8985 B10R0.22 CCCCNCCC(C)(C)O 2230a_100000102301_100000702414 [1,1,0,0,0,0|1,0,0]=3 8986 B10R0.22 CCCCNCCC(C)(C)O 7a_106832991798_100000702414 [1,1,0,0,0,0|1,0,0]=3 8987 B10R0.22 CCCCOCCC(C)(C)C 34a_100000210227_100000755188 [1,1,0,0,0,0|2,0,0]=4 8988 B10R0.22 CCCCOCCC(C)(C)C 7a_100000210227_100000755188 [1,1,0,0,0,0|2,0,0]=4 8989 B10R0.22 CCCCOCCC(C)(C)C 7a_100000765024_100000210211 [1,1,0,0,0,0|2,0,0]=4 8990 B10R0.22 CCCCOCCC(C)(C)O 34a_100000210227_100000702414 [1,1,0,0,0,0|1,0,0]=3 8991 B10R0.22 CCCCOCCC(C)(C)O 7a_100000210227_100000702414 [1,1,0,0,0,0|1,0,0]=3 8992 B10R0.22 CCCCSCCC(C)(C)C 62a_100000210211_100000755188 [1,1,0,0,0,0|2,0,0]=4 8993 B10R0.22 CCCCSCCC(C)(C)C 62a_100000755188_100000210210 [1,1,0,0,0,0|2,0,0]=4 8994 B10R0.22 CCCCSCCC(C)(C)O 62a_100000210211_100000702414 [1,1,0,0,0,0|1,0,0]=3 8995 B10R0.22 CCCCSCCC(C)(C)O 62a_100000702414_100000210210 [1,1,0,0,0,0|1,0,0]=3 8996 B10R0.22 CCCOCCCC(C)(C)O 34a_100000210258_100009888830 [1,1,0,0,0,0|1,0,0]=3 8997 B10R0.22 CCCSCCCC(C)(C)O 62a_100000210303_100009888830 [1,1,0,0,0,0|1,0,0]=3 8998 B10R0.22 CCCSCCCC(C)(C)O 62a_100009888830_100000210303 [1,1,0,0,0,0|1,0,0]=3 8999 B10R0.22 CCOCCNCC(C)(C)O 2230a_100000751335_100011215890 [1,1,0,0,0,0|2,0,0]=4 9000 B10R0.22 CCOCCNCC(C)(C)O 34a_102516460346_100000764493 [1,1,0,0,0,0|2,0,0]=4 9001 B10R0.22 CCOCCOCC(C)(C)O 34a_100000210136_100000764493 [1,1,0,0,0,0|2,0,0]=4 9002 B10R0.22 CCOCCOCC(C)(C)O 7a_100000210136_100000764493 [1,1,0,0,0,0|2,0,0]=4 9003 B10R0.22 CCOCCSCC(C)(C)O 62a_100000210147_100000764493 [1,1,0,0,0,0|2,0,0]=4 9004 B10R0.22 CCOCCSCC(C)(C)O 62a_100000764493_100011215890 [1,1,0,0,0,0|2,0,0]=4 9005 B10R0.22 CCOCSCCC(C)(C)O 62a_100000702414_100000739092 [1,1,0,0,0,0|2,0,0]=4 9006 B10R0.22 CCOCSCCC(C)(C)O 62a_100000739092_100000702414 [1,1,0,0,0,0|2,0,0]=4 9007 B10R0.22 CCSCCNCC(C)(C)O 2230a_100000751335_100000757381 [1,1,0,0,0,0|2,0,0]=4 9008 B10R0.22 CCSCCOCC(C)(C)O 34a_100000212035_100000764493 [1,1,0,0,0,0|2,0,0]=4 9009 B10R0.22 CCSCCOCC(C)(C)O 7a_100000212035_100000764493 [1,1,0,0,0,0|2,0,0]=4 9010 B10R0.22 CCSCCSCC(C)(C)O 62a_100000757381_100000764493 [1,1,0,0,0,0|2,0,0]=4 9011 B10R0.22 CCSCCSCC(C)(C)O 62a_100000764493_100000757381 [1,1,0,0,0,0|2,0,0]=4 9012 B10R0.22 CNCCCCCC(C)(C)O 2230a_106832991635_100010402123 [1,1,0,0,0,0|1,0,0]=3 9013 B10R0.22 CNCCCCCC(C)(C)O 34a_100102657272_100010402123 [1,1,0,0,0,0|1,0,0]=3 9014 B10R0.22 CNCCCCCC(C)(C)O 7a_106832991635_100010402123 [1,1,0,0,0,0|1,0,0]=3 9015 B10R0.22 CNCCCOCC(C)(C)O 34a_100000213112_100000764493 [1,1,0,0,0,0|2,0,0]=4 9016 B10R0.22 COCCCCCC(C)(C)O 34a_100138415774_100010402123 [1,1,0,0,0,0|1,0,0]=3 9017 B10R0.22 COCCCNCC(C)(C)O 2230a_100000751335_100000740836 [1,1,0,0,0,0|2,0,0]=4 9018 B10R0.22 COCCCNCC(C)(C)O 34a_100150723488_100000764493 [1,1,0,0,0,0|2,0,0]=4 9019 B10R0.22 COCCCOCC(C)(C)O 34a_100000740835_100000764493 [1,1,0,0,0,0|2,0,0]=4 9020 B10R0.22 COCCCSCC(C)(C)O 62a_100000709357_100000764493 [1,1,0,0,0,0|2,0,0]=4 9021 B10R0.22 COCCCSCC(C)(C)O 62a_100000764493_100000709357 [1,1,0,0,0,0|2,0,0]=4 9022 B10R0.22 COCCNCCC(C)(C)O 2230a_100000209980_100000702414 [1,1,0,0,0,0|2,0,0]=4 9023 B10R0.22 COCCOCCC(C)(C)O 34a_100000210237_100000702414 [1,1,0,0,0,0|2,0,0]=4 9024 B10R0.22 COCCSCCC(C)(C)O 62a_100000233755_100000702414 [1,1,0,0,0,0|2,0,0]=4 9025 B10R0.22 COCCSCCC(C)(C)O 62a_100000702414_100000233755 [1,1,0,0,0,0|2,0,0]=4 9026 B10R0.22 COCSCCCC(C)(C)O 62a_100000766300_100009888830 [1,1,0,0,0,0|2,0,0]=4 9027 B10R0.22 COCSCCCC(C)(C)O 62a_100009888830_100000766300 [1,1,0,0,0,0|2,0,0]=4 9028 B10R0.22 CSCCCCCC(C)(C)O 62a_100010402123_200000210301 [1,1,0,0,0,0|1,0,0]=3 9029 B10R0.22 CSCCCCCC(C)(C)O 62a_200000210301_100010402123 [1,1,0,0,0,0|1,0,0]=3 9030 B10R0.22 CSCCCOCC(C)(C)O 34a_100000690336_100000764493 [1,1,0,0,0,0|2,0,0]=4 9031 B10R0.22 CSCCCOCC(C)(C)O 7a_100000690336_100000764493 [1,1,0,0,0,0|2,0,0]=4 9032 B10R0.22 CSCCNCCC(C)(C)O 2230a_100020590264_100000702414 [1,1,0,0,0,0|2,0,0]=4 9033 B10R0.22 CSCCOCCC(C)(C)O 34a_100000230434_100000702414 [1,1,0,0,0,0|2,0,0]=4 9034 B10R0.22 CSCCOCCC(C)(C)O 7a_100000230434_100000702414 [1,1,0,0,0,0|2,0,0]=4 9035 B10R0.22 CSCCSCCC(C)(C)O 62a_100000212216_100000702414 [1,1,0,0,0,0|2,0,0]=4 9036 B10R0.22 CSCCSCCC(C)(C)O 62a_100000702414_100000751147 [1,1,0,0,0,0|2,0,0]=4 9037 B10R0.22 CSCSCCCC(C)(C)O 62a_100009888830_100011218213 [1,1,0,0,0,0|2,0,0]=4 9038 B10R0.22 CSCSCCCC(C)(C)O 62a_100011218213_100009888830 [1,1,0,0,0,0|2,0,0]=4 9039 B10R0.55 CC(CO)CCNC[C@@H](C)O 2230a_106354213184_100009817552 [1,1,0,0,0,0|2,0,0]=4 9040 B10R0.55 CC(CO)CCNC[C@@H](C)O 34a_106354213184_100009817552 [1,1,0,0,0,0|2,0,0]=4 9041 B10R0.55 CC(O)CCCN[C@H](C)CO 2230a_100000737577_200000718107 [1,1,0,0,0,0|2,0,0]=4 9042 B10R0.55 CC(O)CCCOC(C)CF 34a_100016041109_200000718107 [1,1,0,0,0,0|2,0,0]=4 9043 B10R0.55 CC(O)CCCOC(C)CF 7a_100016041109_200000718107 [1,1,0,0,0,0|2,0,0]=4 9044 B10R0.55 CC(O)CCCOC(C)CN 34a_100000210904_200000718107 [1,1,0,0,0,0|2,0,0]=4 9045 B10R0.55 CC(O)CCCSC(C)CO 62a_100012180447_200000718107 [1,1,0,0,0,0|2,0,0]=4 9046 B10R0.55 CC(O)CCCS[C@H](C)CO 62a_100016084084_200000718107 [1,1,0,0,0,0|2,0,0]=4 9047 B10R0.55 CC(O)CCCS[C@H](C)CO 62a_200000718107_100016084084 [1,1,0,0,0,0|2,0,0]=4 9048 B10R0.55 CC(O)CCNCC(C)CO 34a_100000744482_100012276601 [1,1,0,0,0,0|2,0,0]=4 9049 B10R0.55 CC(O)CCNCC(O)CO 2230a_200000755665_100011219619 [1,1,0,0,0,0|2,0,0]=4 9050 B10R0.55 CC(O)CCNC[C@@H](C)CO 2230a_200000755665_100000059175 [1,1,0,0,0,0|2,0,0]=4 9051 B10R0.55 CC(O)CCNC[C@@H](F)CO 34a_100015665980_100012276601 [1,1,0,0,0,0|2,0,0]=4 9052 B10R0.55 CC(O)CCNC[C@@H](O)CF 2230a_200000755665_100015614560 [1,1,0,0,0,0|2,0,0]=4 9053 B10R0.55 CC(O)CCNC[C@@H](O)CO 2230a_200000755665_100009815848 [1,1,0,0,0,0|2,0,0]=4 9054 B10R0.55 CC(O)CCNC[C@H](O)CO 2230a_100020644852_100012276601 [1,1,0,0,0,0|2,0,0]=4 9055 B10R0.55 CC(O)CCOCC(C)CN 34a_100000744482_100012276601 [1,1,0,0,0,0|2,0,0]=4 9056 B10R0.55 CC(O)CCOCC(Cl)CCl 34a_100000033668_100012276601 [1,1,0,0,0,0|2,0,0]=4 9057 B10R0.55 CC(O)CCOC[C@H](F)CN 34a_100015665980_100012276601 [1,1,0,0,0,0|2,0,0]=4 9058 B10R0.55 CC(O)CCSCC(O)CO 62a_100011219619_100012276601 [1,1,0,0,0,0|2,0,0]=4 9059 B10R0.55 CC(O)CCSCC(O)CO 62a_100012276601_100011219619 [1,1,0,0,0,0|2,0,0]=4 9060 B10R0.55 CC(O)CCSC[C@@H](C)CO 62a_100000059175_100012276601 [1,1,0,0,0,0|2,0,0]=4 9061 B10R0.55 CC(O)CCSC[C@@H](C)CO 62a_100012276601_100000059175 [1,1,0,0,0,0|2,0,0]=4 9062 B10R0.55 CC(O)CCSC[C@@H](O)CF 62a_100012276601_100015614560 [1,1,0,0,0,0|2,0,0]=4 9063 B10R0.55 CC(O)CCSC[C@@H](O)CF 62a_100015614560_100012276601 [1,1,0,0,0,0|2,0,0]=4 9064 B10R0.55 CC(O)CCSC[C@@H](O)CO 62a_100009815848_100012276601 [1,1,0,0,0,0|2,0,0]=4 9065 B10R0.55 CC(O)CCSC[C@@H](O)CO 62a_100012276601_100009815848 [1,1,0,0,0,0|2,0,0]=4 9066 B10R0.55 CC(O)CNCCC(C)CO 2230a_106354213184_100011218427 [1,1,0,0,0,0|2,0,0]=4 9067 B10R0.55 CC(O)CNCCC(C)CO 34a_106354213184_100011218427 [1,1,0,0,0,0|2,0,0]=4 9068 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100000210414_100011216152 [1,1,0,0,0,0|1,0,1]=4 9069 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100011933920_100000210202 [1,1,0,0,0,0|1,0,1]=4 9070 B10R0.55 CCC(=O)COCCC(C)O 34a_100000725409_100012276601 [1,1,0,0,0,0|1,0,1]=4 9071 B10R0.55 CCC(=O)CSCCC(C)O 62a_100000747405_100012276601 [1,1,0,0,0,0|1,0,1]=4 9072 B10R0.55 CCC(=O)CSCCC(C)O 62a_100012276601_100000747405 [1,1,0,0,0,0|1,0,1]=4 9073 B10R0.55 CCC(C)CCCOC(C)C 7a_100011216074_100000210206 [1,1,0,0,0,0|2,0,0]=4 9074 B10R0.55 CCC(C)CCNCC(C)C 2230a_100020591266_100000210760 [1,1,0,0,0,0|2,0,0]=4 9075 B10R0.55 CCC(C)CCNCC(C)C 270004a_100020591266_100000210432 [1,1,0,0,0,0|2,0,0]=4 9076 B10R0.55 CCC(C)CCNCC(C)O 2230a_100020591266_100011218427 [1,1,0,0,0,0|1,0,0]=3 9077 B10R0.55 CCC(C)CCNC[C@@H](C)O 2230a_100020591266_100009817552 [1,1,0,0,0,0|1,0,0]=3 9078 B10R0.55 CCC(C)CCOCC(C)C 7a_100011215188_100000210760 [1,1,0,0,0,0|2,0,0]=4 9079 B10R0.55 CCC(C)CCOCC(C)O 7a_100011215188_100011218427 [1,1,0,0,0,0|1,0,0]=3 9080 B10R0.55 CCC(C)CCOC[C@@H](C)O 7a_100011215188_100009817552 [1,1,0,0,0,0|1,0,0]=3 9081 B10R0.55 CCC(C)CNCCC(C)C 2230a_100020588543_100000210312 [1,1,0,0,0,0|2,0,0]=4 9082 B10R0.55 CCC(C)CNCCC(C)C 269862a_100020588543_100000185833 [1,1,0,0,0,0|2,0,0]=4 9083 B10R0.55 CCC(C)CNCCC(C)C 270004a_100000210545_100000243153 [1,1,0,0,0,0|2,0,0]=4 9084 B10R0.55 CCC(C)CNCCC(C)O 2230a_100020588543_100012276601 [1,1,0,0,0,0|1,0,0]=3 9085 B10R0.55 CCC(C)CNCCC(C)O 2230a_200000755665_100000748023 [1,1,0,0,0,0|1,0,0]=3 9086 B10R0.55 CCC(C)CNCCC(C)O 270004a_200000755665_100000243153 [1,1,0,0,0,0|1,0,0]=3 9087 B10R0.55 CCC(C)COCCC(C)Br 34a_100009893172_100000748023 [1,1,0,0,0,0|2,0,0]=4 9088 B10R0.55 CCC(C)COCCC(C)C 34a_100000210254_100000748023 [1,1,0,0,0,0|2,0,0]=4 9089 B10R0.55 CCC(C)COCCC(C)C 7a_100000210254_100000748023 [1,1,0,0,0,0|2,0,0]=4 9090 B10R0.55 CCC(C)COCC[C@@H](C)N 34a_100000706166_100000748023 [1,1,0,0,0,0|2,0,0]=4 9091 B10R0.55 CCC(C)CSCCC(C)C 62a_100000210312_100000748023 [1,1,0,0,0,0|2,0,0]=4 9092 B10R0.55 CCC(C)CSCCC(C)C 62a_100000748023_100000210312 [1,1,0,0,0,0|2,0,0]=4 9093 B10R0.55 CCC(C)CSCCC(C)O 62a_100000748023_100012276601 [1,1,0,0,0,0|1,0,0]=3 9094 B10R0.55 CCC(C)CSCCC(C)O 62a_100012276601_100000748023 [1,1,0,0,0,0|1,0,0]=3 9095 B10R0.55 CCC(C)NCCCC(C)C 2230a_100000209981_100011214892 [1,1,0,0,0,0|2,0,0]=4 9096 B10R0.55 CCC(C)NCCCC(C)C 2230a_200000737386_100000758301 [1,1,0,0,0,0|2,0,0]=4 9097 B10R0.55 CCC(C)NCCCC(C)C 34a_200000737386_100011215416 [1,1,0,0,0,0|2,0,0]=4 9098 B10R0.55 CCC(C)NCCCC(C)O 2230a_100000209981_200000718107 [1,1,0,0,0,0|1,0,0]=3 9099 B10R0.55 CCC(C)OCCCC(C)C 34a_100000210774_100011215416 [1,1,0,0,0,0|2,0,0]=4 9100 B10R0.55 CCC(C)OCCCC(C)C 7a_100000210228_100011214892 [1,1,0,0,0,0|2,0,0]=4 9101 B10R0.55 CCC(C)OCCCC(C)C 7a_100000210774_100000758301 [1,1,0,0,0,0|2,0,0]=4 9102 B10R0.55 CCC(C)OCCCC(C)O 7a_100000210228_200000718107 [1,1,0,0,0,0|1,0,0]=3 9103 B10R0.55 CCC(C)SCCCC(C)C 62a_100000758301_100011214892 [1,1,0,0,0,0|2,0,0]=4 9104 B10R0.55 CCC(C)SCCCC(C)C 62a_100011214892_100000758301 [1,1,0,0,0,0|2,0,0]=4 9105 B10R0.55 CCC(C)SCCCC(C)O 62a_100000758301_200000718107 [1,1,0,0,0,0|1,0,0]=3 9106 B10R0.55 CCC(C)SCCCC(C)O 62a_200000718107_100000758301 [1,1,0,0,0,0|1,0,0]=3 9107 B10R0.55 CCC(O)CNCCC(C)C 2230a_100011218483_100000210312 [1,1,0,0,0,0|2,0,0]=4 9108 B10R0.55 CCC(O)CNCCC(C)C 269862a_100011218483_100000185833 [1,1,0,0,0,0|2,0,0]=4 9109 B10R0.55 CCC(O)CNCCC(C)O 2230a_100011218483_100012276601 [1,1,0,0,0,0|1,0,0]=3 9110 B10R0.55 CCC(O)CNCCC(C)O 2230a_200000755665_100011218378 [1,1,0,0,0,0|1,0,0]=3 9111 B10R0.55 CCC(O)COCCC(C)Br 34a_100009893172_100011218378 [1,1,0,0,0,0|2,0,0]=4 9112 B10R0.55 CCC(O)COCCC(C)C 34a_100000210254_100011218378 [1,1,0,0,0,0|2,0,0]=4 9113 B10R0.55 CCC(O)COCCC(C)C 7a_100000210254_100011218378 [1,1,0,0,0,0|2,0,0]=4 9114 B10R0.55 CCC(O)COCC[C@@H](C)N 34a_100000706166_100011218378 [1,1,0,0,0,0|2,0,0]=4 9115 B10R0.55 CCC(O)CSCCC(C)C 62a_100000210312_100011218378 [1,1,0,0,0,0|2,0,0]=4 9116 B10R0.55 CCC(O)CSCCC(C)C 62a_100011218378_100000210312 [1,1,0,0,0,0|2,0,0]=4 9117 B10R0.55 CCC(O)CSCCC(C)O 62a_100011218378_100012276601 [1,1,0,0,0,0|1,0,0]=3 9118 B10R0.55 CCC(O)CSCCC(C)O 62a_100012276601_100011218378 [1,1,0,0,0,0|1,0,0]=3 9119 B10R0.55 CCN(C)CCCCC(C)C 2230a_100000225621_100011216152 [1,1,0,0,0,0|2,0,0]=4 9120 B10R0.55 CCN(C)CCCCC(C)C 269982a_100000225621_100011216152 [1,1,0,0,0,0|2,0,0]=4 9121 B10R0.55 CC[C@H](C)CNCCC(C)O 2230a_200000755665_100009816398 [1,1,0,0,0,0|1,0,0]=3 9122 B10R0.55 CC[C@H](C)COCCC(C)Br 34a_100009893172_100009816398 [1,1,0,0,0,0|2,0,0]=4 9123 B10R0.55 CC[C@H](C)COCCC(C)C 34a_100000210254_100009816398 [1,1,0,0,0,0|2,0,0]=4 9124 B10R0.55 CC[C@H](C)COCCC(C)C 7a_100000210254_100009816398 [1,1,0,0,0,0|2,0,0]=4 9125 B10R0.55 CC[C@H](C)COCCC(C)C 7a_100009816381_100000210626 [1,1,0,0,0,0|2,0,0]=4 9126 B10R0.55 CC[C@H](C)COCCC(C)O 7a_100009816381_100012276601 [1,1,0,0,0,0|1,0,0]=3 9127 B10R0.55 CC[C@H](C)COCC[C@@H](C)N 34a_100000706166_100009816398 [1,1,0,0,0,0|2,0,0]=4 9128 B10R0.55 CC[C@H](C)CSCCC(C)C 62a_100000210312_100009816398 [1,1,0,0,0,0|2,0,0]=4 9129 B10R0.55 CC[C@H](C)CSCCC(C)C 62a_100009816398_100000210312 [1,1,0,0,0,0|2,0,0]=4 9130 B10R0.55 CC[C@H](C)CSCCC(C)O 62a_100009816398_100012276601 [1,1,0,0,0,0|1,0,0]=3 9131 B10R0.55 CC[C@H](C)CSCCC(C)O 62a_100012276601_100009816398 [1,1,0,0,0,0|1,0,0]=3 9132 B10R0.55 COC(C)CCOCC(C)O 7a_100000764861_100011218427 [1,1,0,0,0,0|2,0,0]=4 9133 B10R0.55 COC(C)CCOC[C@@H](C)O 7a_100000764861_100009817552 [1,1,0,0,0,0|2,0,0]=4 9134 B10R0.55 COC(C)COCCC(C)O 34a_100000690652_100012276601 [1,1,0,0,0,0|2,0,0]=4 9135 B10R0.55 COC(C)SCCCC(C)O 62a_100009879195_200000718107 [1,1,0,0,0,0|2,0,0]=4 9136 B10R0.55 COC(C)SCCCC(C)O 62a_200000718107_100009879195 [1,1,0,0,0,0|2,0,0]=4 9137 B10R0.55 CO[C@H](C)CNCCC(C)O 2230a_100020591295_100012276601 [1,1,0,0,0,0|2,0,0]=4 9138 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100000210198_100000210757 [1,1,0,0,0,0|1,0,1]=4 9139 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100102632555_100000210206 [1,1,0,0,0,0|1,0,1]=4 9140 B10R0.75 CCCCCCC(=O)C(C)F 1458a_100000062450_100000210757 [1,1,0,0,0,0|1,0,1]=4 9141 B10R0.75 CCCCCCC(=O)C(O)O 1458a_100000233687_100000210757 [1,1,0,0,0,0|1,0,1]=4 9142 B10R0.75 CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210757 [1,1,0,0,0,0|0,0,1]=3 9143 B10R0.75 CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210757 [1,1,0,0,0,0|0,0,1]=3 9144 B10R0.75 CCCCCCC(C)C(=O)C 1458a_100000070787_100011215978 [1,1,0,0,0,0|0,0,2]=4 9145 B10R0.75 CCCCCCC(C)N(C)C 2230a_100102631434_100011215978 [1,1,0,0,0,0|2,0,0]=4 9146 B10R0.75 CCCCCCC(C)N(C)C 269982a_100102631434_100011215978 [1,1,0,0,0,0|2,0,0]=4 9147 B10R0.75 CCCCCCC(C)N(C)C 270004a_100102631434_100000210826 [1,1,0,0,0,0|2,0,0]=4 9148 B10R0.75 CCCCCCC(O)C(=O)C 1458a_100011215828_200000210301 [1,1,0,0,0,0|0,0,2]=4 9149 B10R0.75 CCCCCCC(O)C(=O)[13CH3] 1458a_100011215828_200025704644 [1,1,0,0,0,0|0,0,2]=4 9150 B10R0.75 CCCCCCN(C)C(C)C 2230a_106256046315_100000210206 [1,1,0,0,0,0|2,0,0]=4 9151 B10R0.75 CCCCCCN(C)C(C)C 269982a_106256046315_100000210206 [1,1,0,0,0,0|2,0,0]=4 9152 B10R0.75 CCCCCCN(C)C(C)C 269982a_200000211004_100000210757 [1,1,0,0,0,0|2,0,0]=4 9153 B10R0.75 CCCCCNC(=O)[C@@H](C)O 240690a_100000209983_100000717761 [1,1,0,0,0,0|1,0,1]=4 9154 B10R0.75 CCCCCNC(=O)[C@H](C)O 1626a_100000209983_217856618621 [1,1,0,0,0,0|1,0,1]=4 9155 B10R0.75 CCCCCNC(=O)[C@H](C)O 240690a_100000209983_217856618621 [1,1,0,0,0,0|1,0,1]=4 9156 B10R0.75 CCCCCNC(C)C(C)C 2230a_100000211541_100000210326 [1,1,0,0,0,0|2,0,0]=4 9157 B10R0.75 CCCCCOC(C)C(C)C 7a_100000748068_100000210326 [1,1,0,0,0,0|2,0,0]=4 9158 B10R0.75 CCCCNCC(O)C(C)C 2230a_100000759067_100000210211 [1,1,0,0,0,0|2,0,0]=4 9159 B10R0.75 CCCCNCC(O)C(C)C 34a_100000759067_100000210210 [1,1,0,0,0,0|2,0,0]=4 9160 B10R0.75 CCCCOCC(=O)[C@@H](C)O 1458a_100000717761_100011995733 [1,1,0,0,0,0|1,0,1]=4 9161 B10R0.75 CCCCOCC(=O)[C@H](C)O 1458a_217856618621_100011995733 [1,1,0,0,0,0|1,0,1]=4 9162 B10R0.75 CCCCOC[C@H](N)C(C)C 34a_100011830312_100000210210 [1,1,0,0,0,0|2,0,0]=4 9163 B10R0.75 CCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215938 [1,1,0,0,0,0|1,0,1]=4 9164 B10R0.75 CCCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215938 [1,1,0,0,0,0|1,0,1]=4 9165 B10R0.75 CCCOCCC(N)C(C)C 34a_100161115045_100000210303 [1,1,0,0,0,0|2,0,0]=4 9166 B10R0.75 CCOCCCC(=O)[C@@H](C)O 1458a_100000717761_100012232248 [1,1,0,0,0,0|1,0,1]=4 9167 B10R0.75 CCOCCCC(=O)[C@H](C)O 1458a_217856618621_100012232248 [1,1,0,0,0,0|1,0,1]=4 9168 B10R0.75 COCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000755781 [1,1,0,0,0,0|1,0,1]=4 9169 B10R0.75 COCCCCC(=O)[C@H](C)O 1458a_217856618621_100000755781 [1,1,0,0,0,0|1,0,1]=4 9170 B10R0.75 C[C@@H](O)C(=O)CCCCCF 1458a_100000717761_100000729378 [1,1,0,0,0,0|1,0,1]=4 9171 B10R0.75 C[C@@H](O)C(=O)CCCCCO 1458a_100000717761_100000746330 [1,1,0,0,0,0|1,0,1]=4 9172 B10R0.75 C[C@H](O)C(=O)CCCCCF 1458a_217856618621_100000729378 [1,1,0,0,0,0|1,0,1]=4 9173 B10R0.75 C[C@H](O)C(=O)CCCCCO 1458a_217856618621_100000746330 [1,1,0,0,0,0|1,0,1]=4 9174 B10R0.78 CC(CCCCl)OC[C@@H](C)O 34a_200000718107_100009817552 [1,1,0,0,0,0|2,0,0]=4 9175 B10R0.78 CC(CCCCl)OC[C@@H](C)O 7a_200000718107_100009817552 [1,1,0,0,0,0|2,0,0]=4 9176 B10R0.78 CC(O)CCN(C)CCCO 2230a_100000213112_100012276601 [1,1,0,0,0,0|2,0,0]=4 9177 B10R0.78 CC(O)CCN(C)CCCO 269982a_100000213112_100012276601 [1,1,0,0,0,0|2,0,0]=4 9178 B10R0.78 CC(O)COC(C)CCCCl 34a_200000718107_100011218427 [1,1,0,0,0,0|2,0,0]=4 9179 B10R0.78 CC(O)COC(C)CCCCl 7a_200000718107_100011218427 [1,1,0,0,0,0|2,0,0]=4 9180 B10R0.78 CCCCC(=O)CCC(C)C 1458a_100000181311_100000210211 [1,1,0,0,0,0|1,0,1]=4 9181 B10R0.78 CCCCC(=O)CCC(C)C 1458a_100000210183_100000210312 [1,1,0,0,0,0|1,0,1]=4 9182 B10R0.78 CCCCC(=O)CCC(C)O 1458a_100000210183_100012276601 [1,1,0,0,0,0|0,0,1]=3 9183 B10R0.78 CCCCC(=O)NCC(C)O 11a_100000210904_100000210183 [1,1,0,0,0,0|1,0,1]=4 9184 B10R0.78 CCCCC(=O)NCC(C)O 240690a_100000210904_100000210183 [1,1,0,0,0,0|1,0,1]=4 9185 B10R0.78 CCCCC(=O)NCC(C)O 527a_100000210904_100000210183 [1,1,0,0,0,0|1,0,1]=4 9186 B10R0.78 CCCCC(C)CCC(=O)C 1458a_100000033779_200000210301 [1,1,0,0,0,0|0,0,2]=4 9187 B10R0.78 CCCCC(C)CCC(=O)[13CH3] 1458a_100000033779_200025704644 [1,1,0,0,0,0|0,0,2]=4 9188 B10R0.78 CCCCC(C)COC(C)C 34a_100011995851_100000210206 [1,1,0,0,0,0|2,0,0]=4 9189 B10R0.78 CCCCC(C)COC(C)C 7a_100011995851_100000210206 [1,1,0,0,0,0|2,0,0]=4 9190 B10R0.78 CCCCC(C)NCC(C)C 2230a_100000126638_100000210760 [1,1,0,0,0,0|2,0,0]=4 9191 B10R0.78 CCCCC(C)NCC(C)C 2230a_100000210953_200011215066 [1,1,0,0,0,0|2,0,0]=4 9192 B10R0.78 CCCCC(C)NCC(C)C 270004a_100000126638_100000210432 [1,1,0,0,0,0|2,0,0]=4 9193 B10R0.78 CCCCC(C)NCC(C)C 270004a_100000210953_100000210087 [1,1,0,0,0,0|2,0,0]=4 9194 B10R0.78 CCCCC(C)NCC(C)C 34a_100000210953_200011215066 [1,1,0,0,0,0|2,0,0]=4 9195 B10R0.78 CCCCC(C)NCC(C)O 2230a_100000126638_100011218427 [1,1,0,0,0,0|1,0,0]=3 9196 B10R0.78 CCCCC(C)NCC(C)O 2230a_100000210904_200011215066 [1,1,0,0,0,0|1,0,0]=3 9197 B10R0.78 CCCCC(C)NCC(C)O 270004a_100000210904_100000210087 [1,1,0,0,0,0|1,0,0]=3 9198 B10R0.78 CCCCC(C)NCC(C)O 34a_100000210904_200011215066 [1,1,0,0,0,0|1,0,0]=3 9199 B10R0.78 CCCCC(C)NC[C@@H](C)O 2230a_100000126638_100009817552 [1,1,0,0,0,0|1,0,0]=3 9200 B10R0.78 CCCCC(C)OCC(C)Br 34a_100012180447_200011215066 [1,1,0,0,0,0|2,0,0]=4 9201 B10R0.78 CCCCC(C)OCC(C)C 34a_100000210257_200011215066 [1,1,0,0,0,0|2,0,0]=4 9202 B10R0.78 CCCCC(C)OCC(C)C 34a_100000687866_100000210624 [1,1,0,0,0,0|2,0,0]=4 9203 B10R0.78 CCCCC(C)OCC(C)C 7a_100000687866_100000210760 [1,1,0,0,0,0|2,0,0]=4 9204 B10R0.78 CCCCC(C)OCC(C)F 34a_100015925927_200011215066 [1,1,0,0,0,0|2,0,0]=4 9205 B10R0.78 CCCCC(C)OCC(C)O 34a_100000687866_100011218427 [1,1,0,0,0,0|1,0,0]=3 9206 B10R0.78 CCCCC(C)OCC(C)O 7a_100000687866_100011218427 [1,1,0,0,0,0|1,0,0]=3 9207 B10R0.78 CCCCC(C)OC[C@@H](C)Cl 34a_100016084084_200011215066 [1,1,0,0,0,0|2,0,0]=4 9208 B10R0.78 CCCCC(C)OC[C@@H](C)N 34a_100000737577_200011215066 [1,1,0,0,0,0|2,0,0]=4 9209 B10R0.78 CCCCC(C)OC[C@@H](C)O 34a_100000687866_100009817552 [1,1,0,0,0,0|1,0,0]=3 9210 B10R0.78 CCCCC(C)OC[C@@H](C)O 7a_100000687866_100009817552 [1,1,0,0,0,0|1,0,0]=3 9211 B10R0.78 CCCCC(C)SCC(C)C 62a_100000210624_200011215066 [1,1,0,0,0,0|2,0,0]=4 9212 B10R0.78 CCCCC(C)SCC(C)C 62a_200011215066_100000210760 [1,1,0,0,0,0|2,0,0]=4 9213 B10R0.78 CCCCC(C)SCC(C)O 62a_100011218427_200011215066 [1,1,0,0,0,0|1,0,0]=3 9214 B10R0.78 CCCCC(C)SCC(C)O 62a_200011215066_100011218427 [1,1,0,0,0,0|1,0,0]=3 9215 B10R0.78 CCCCC(C)SC[C@@H](C)O 62a_100009817552_200011215066 [1,1,0,0,0,0|1,0,0]=3 9216 B10R0.78 CCCCC(C)SC[C@@H](C)O 62a_200011215066_100009817552 [1,1,0,0,0,0|1,0,0]=3 9217 B10R0.78 CCCCN(C)CCC(C)C 2230a_100000207549_100000210312 [1,1,0,0,0,0|2,0,0]=4 9218 B10R0.78 CCCCN(C)CCC(C)C 2230a_100000742789_100000210211 [1,1,0,0,0,0|2,0,0]=4 9219 B10R0.78 CCCCN(C)CCC(C)C 269982a_100000207549_100000210312 [1,1,0,0,0,0|2,0,0]=4 9220 B10R0.78 CCCCN(C)CCC(C)C 269982a_100000742789_100000210211 [1,1,0,0,0,0|2,0,0]=4 9221 B10R0.78 CCCCN(C)CCC(C)O 2230a_100000207549_100012276601 [1,1,0,0,0,0|1,0,0]=3 9222 B10R0.78 CCCCN(C)CCC(C)O 269982a_100000207549_100012276601 [1,1,0,0,0,0|1,0,0]=3 9223 B10R0.78 CCCC[C@H](N)COC(C)C 34a_100011934283_100000210206 [1,1,0,0,0,0|2,0,0]=4 9224 B10R0.78 CCCNC(=O)CCC(C)O 1626a_100020643023_100000718519 [1,1,0,0,0,0|1,0,1]=4 9225 B10R0.78 CCCNC(C)CCC(C)C 2230a_100138410893_100000210303 [1,1,0,0,0,0|2,0,0]=4 9226 B10R0.78 CCCNC(C)CCC(C)C 270004a_100020643023_100000210476 [1,1,0,0,0,0|2,0,0]=4 9227 B10R0.78 CCCOC(C)CCC(C)C 34a_100000210258_100011261404 [1,1,0,0,0,0|2,0,0]=4 9228 B10R0.78 CCCOC(C)CCC(C)C 34a_100011215350_100000210303 [1,1,0,0,0,0|2,0,0]=4 9229 B10R0.78 CCCOC(C)CCC(C)C 7a_100011215350_100000210303 [1,1,0,0,0,0|2,0,0]=4 9230 B10R0.78 CCCSC(C)CCC(C)C 62a_100000210303_100011261404 [1,1,0,0,0,0|2,0,0]=4 9231 B10R0.78 CCCSC(C)CCC(C)C 62a_100011261404_100000210303 [1,1,0,0,0,0|2,0,0]=4 9232 B10R0.78 CCOCC(=O)CCC(C)O 1458a_100000211967_100012276601 [1,1,0,0,0,0|1,0,1]=4 9233 B10R0.78 CCOCC(C)OCC(C)O 34a_100000718985_100011218427 [1,1,0,0,0,0|2,0,0]=4 9234 B10R0.78 CCOCC(C)OCC(C)O 7a_100000718985_100011218427 [1,1,0,0,0,0|2,0,0]=4 9235 B10R0.78 CCOCC(C)OC[C@@H](C)O 34a_100000718985_100009817552 [1,1,0,0,0,0|2,0,0]=4 9236 B10R0.78 CCOCC(C)OC[C@@H](C)O 7a_100000718985_100009817552 [1,1,0,0,0,0|2,0,0]=4 9237 B10R0.78 CCSCC(=O)CCC(C)O 1458a_100000230394_100012276601 [1,1,0,0,0,0|1,0,1]=4 9238 B10R0.78 CCSCC(C)NCC(C)O 270004a_100000210904_200011216171 [1,1,0,0,0,0|2,0,0]=4 9239 B10R0.78 COCCC(=O)CCC(C)O 1458a_100000749529_100012276601 [1,1,0,0,0,0|1,0,1]=4 9240 B10R0.78 COCCC(C)NCC(C)O 270004a_100000210904_100000742357 [1,1,0,0,0,0|2,0,0]=4 9241 B10R0.78 COCCN(C)CCC(C)O 2230a_100000743101_100012276601 [1,1,0,0,0,0|2,0,0]=4 9242 B10R0.78 COCCN(C)CCC(C)O 269982a_100000743101_100012276601 [1,1,0,0,0,0|2,0,0]=4 9243 B10R0.78 CSCCC(=O)CCC(C)O 1458a_100000174002_100012276601 [1,1,0,0,0,0|1,0,1]=4 9244 B10R0.78 CSCCC(C)NCC(C)O 270004a_100000210904_100011217047 [1,1,0,0,0,0|2,0,0]=4 9245 B10R0.78 CSCCN(C)CCC(C)O 2230a_100000686725_100012276601 [1,1,0,0,0,0|2,0,0]=4 9246 B10R0.78 CSCCN(C)CCC(C)O 269982a_100000686725_100012276601 [1,1,0,0,0,0|2,0,0]=4 9247 B10R0.97 C=C(C)CCNCCC(C)O 2230a_200000755665_100000730704 [1,1,0,0,0,0|1,0,1]=4 9248 B10R0.97 C=C(C)CCOCCC(C)O 34a_100000764851_100012276601 [1,1,0,0,0,0|1,0,1]=4 9249 B10R0.97 C=C(C)CCSCCC(C)O 62a_100000730704_100012276601 [1,1,0,0,0,0|1,0,1]=4 9250 B10R0.97 C=C(C)CCSCCC(C)O 62a_100012276601_100000730704 [1,1,0,0,0,0|1,0,1]=4 9251 B10R0.97 C=C(C)COCCCC(C)O 34a_100000210245_200000718107 [1,1,0,0,0,0|1,0,1]=4 9252 B10R0.97 C=C(C)CSCCCC(C)O 62a_100000748629_200000718107 [1,1,0,0,0,0|1,0,1]=4 9253 B10R0.97 C=C(C)CSCCCC(C)O 62a_200000718107_100000211660 [1,1,0,0,0,0|1,0,1]=4 9254 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000070787_100000210682 [1,1,0,0,0,0|0,0,2]=4 9255 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000766313_200000210301 [1,1,0,0,0,0|0,0,2]=4 9256 B10R0.97 CC(=O)CCCNCC(C)O 34a_100000210904_100000685027 [1,1,0,0,0,0|1,0,1]=4 9257 B10R0.97 CC(=O)CCCOCC(C)O 34a_100000759063_100011218427 [1,1,0,0,0,0|1,0,1]=4 9258 B10R0.97 CC(=O)CCCOCC(C)O 7a_100000759063_100011218427 [1,1,0,0,0,0|1,0,1]=4 9259 B10R0.97 CC(=O)CCCOC[C@@H](C)O 34a_100000759063_100009817552 [1,1,0,0,0,0|1,0,1]=4 9260 B10R0.97 CC(=O)CCCOC[C@@H](C)O 7a_100000759063_100009817552 [1,1,0,0,0,0|1,0,1]=4 9261 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011215641_100011218427 [1,1,0,0,0,0|1,0,1]=4 9262 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011218427_100011215641 [1,1,0,0,0,0|1,0,1]=4 9263 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100009817552_100011215641 [1,1,0,0,0,0|1,0,1]=4 9264 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100011215641_100009817552 [1,1,0,0,0,0|1,0,1]=4 9265 B10R0.97 CC(=O)CCOCCC(C)O 34a_100000759926_100012276601 [1,1,0,0,0,0|1,0,1]=4 9266 B10R0.97 CC(=O)CCOCCC(C)O 7a_100000759926_100012276601 [1,1,0,0,0,0|1,0,1]=4 9267 B10R0.97 CC(=O)CCSCCC(C)O 62a_100000053229_100012276601 [1,1,0,0,0,0|1,0,1]=4 9268 B10R0.97 CC(=O)CCSCCC(C)O 62a_100012276601_100000053229 [1,1,0,0,0,0|1,0,1]=4 9269 B10R0.97 CC(=O)COCCCC(C)O 34a_100000211253_200000718107 [1,1,0,0,0,0|1,0,1]=4 9270 B10R0.97 CC(C)CCCCCC(=O)[13CH3] 1458a_100000766313_200025704644 [1,1,0,0,0,0|0,0,2]=4 9271 B10R0.97 CC(C)CCCCCN(C)C 2230a_100102631434_100000210682 [1,1,0,0,0,0|2,0,0]=4 9272 B10R0.97 CC(C)CCCCCN(C)C 269982a_100102631434_100000210682 [1,1,0,0,0,0|2,0,0]=4 9273 B10R0.97 CC(C)CCCCNC(C)C 2230a_100138425928_100011216152 [1,1,0,0,0,0|2,0,0]=4 9274 B10R0.97 CC(C)CCCCNC(C)C 34a_100138425928_100011216152 [1,1,0,0,0,0|2,0,0]=4 9275 B10R0.97 CC(C)CCCCOC(C)C 34a_100000212225_100011216152 [1,1,0,0,0,0|2,0,0]=4 9276 B10R0.97 CC(C)CCCCOC(C)C 34a_100011214890_100000210206 [1,1,0,0,0,0|2,0,0]=4 9277 B10R0.97 CC(C)CCCCOC(C)C 7a_100011214890_100000210206 [1,1,0,0,0,0|2,0,0]=4 9278 B10R0.97 CC(C)CCCCSC(C)C 62a_100000210206_100011216152 [1,1,0,0,0,0|2,0,0]=4 9279 B10R0.97 CC(C)CCCCSC(C)C 62a_100011216152_100000210206 [1,1,0,0,0,0|2,0,0]=4 9280 B10R0.97 CC(C)CCCNCC(C)C 2230a_100000210953_100011214892 [1,1,0,0,0,0|2,0,0]=4 9281 B10R0.97 CC(C)CCCNCC(C)C 2230a_200000737386_100000210760 [1,1,0,0,0,0|2,0,0]=4 9282 B10R0.97 CC(C)CCCNCC(C)C 270004a_200000737386_100000210432 [1,1,0,0,0,0|2,0,0]=4 9283 B10R0.97 CC(C)CCCNCC(C)C 34a_100000210953_100011214892 [1,1,0,0,0,0|2,0,0]=4 9284 B10R0.97 CC(C)CCCNCC(C)C 34a_200000737386_100000210624 [1,1,0,0,0,0|2,0,0]=4 9285 B10R0.97 CC(C)CCCNCC(C)O 2230a_100000210904_100011214892 [1,1,0,0,0,0|1,0,0]=3 9286 B10R0.97 CC(C)CCCNCC(C)O 2230a_200000737386_100011218427 [1,1,0,0,0,0|1,0,0]=3 9287 B10R0.97 CC(C)CCCNCC(C)O 34a_100000210904_100011214892 [1,1,0,0,0,0|1,0,0]=3 9288 B10R0.97 CC(C)CCCNCC(C)O 34a_200000737386_100011218427 [1,1,0,0,0,0|1,0,0]=3 9289 B10R0.97 CC(C)CCCNC[C@@H](C)O 2230a_200000737386_100009817552 [1,1,0,0,0,0|1,0,0]=3 9290 B10R0.97 CC(C)CCCNC[C@@H](C)O 34a_200000737386_100009817552 [1,1,0,0,0,0|1,0,0]=3 9291 B10R0.97 CC(C)CCCOCC(C)Br 34a_100012180447_100011214892 [1,1,0,0,0,0|2,0,0]=4 9292 B10R0.97 CC(C)CCCOCC(C)C 34a_100000210257_100011214892 [1,1,0,0,0,0|2,0,0]=4 9293 B10R0.97 CC(C)CCCOCC(C)C 34a_100000210774_100000210624 [1,1,0,0,0,0|2,0,0]=4 9294 B10R0.97 CC(C)CCCOCC(C)C 7a_100000210774_100000210760 [1,1,0,0,0,0|2,0,0]=4 9295 B10R0.97 CC(C)CCCOCC(C)F 34a_100015925927_100011214892 [1,1,0,0,0,0|2,0,0]=4 9296 B10R0.97 CC(C)CCCOCC(C)O 34a_100000210774_100011218427 [1,1,0,0,0,0|1,0,0]=3 9297 B10R0.97 CC(C)CCCOCC(C)O 7a_100000210774_100011218427 [1,1,0,0,0,0|1,0,0]=3 9298 B10R0.97 CC(C)CCCOC[C@@H](C)Cl 34a_100016084084_100011214892 [1,1,0,0,0,0|2,0,0]=4 9299 B10R0.97 CC(C)CCCOC[C@@H](C)N 34a_100000737577_100011214892 [1,1,0,0,0,0|2,0,0]=4 9300 B10R0.97 CC(C)CCCOC[C@@H](C)O 34a_100000210774_100009817552 [1,1,0,0,0,0|1,0,0]=3 9301 B10R0.97 CC(C)CCCOC[C@@H](C)O 7a_100000210774_100009817552 [1,1,0,0,0,0|1,0,0]=3 9302 B10R0.97 CC(C)CCCSCC(C)C 62a_100000210624_100011214892 [1,1,0,0,0,0|2,0,0]=4 9303 B10R0.97 CC(C)CCCSCC(C)C 62a_100011214892_100000210760 [1,1,0,0,0,0|2,0,0]=4 9304 B10R0.97 CC(C)CCCSCC(C)O 62a_100011214892_100011218427 [1,1,0,0,0,0|1,0,0]=3 9305 B10R0.97 CC(C)CCCSCC(C)O 62a_100011218427_100011214892 [1,1,0,0,0,0|1,0,0]=3 9306 B10R0.97 CC(C)CCCSC[C@@H](C)O 62a_100009817552_100011214892 [1,1,0,0,0,0|1,0,0]=3 9307 B10R0.97 CC(C)CCCSC[C@@H](C)O 62a_100011214892_100009817552 [1,1,0,0,0,0|1,0,0]=3 9308 B10R0.97 CC(C)CCNCCC(C)C 269862a_100000210545_100000185833 [1,1,0,0,0,0|2,0,0]=4 9309 B10R0.97 CC(C)CCNCCC(C)O 2230a_200000755665_100000210312 [1,1,0,0,0,0|1,0,0]=3 9310 B10R0.97 CC(C)CCNCCC(C)O 269862a_200000755665_100000185833 [1,1,0,0,0,0|1,0,0]=3 9311 B10R0.97 CC(C)CCOCCC(C)Br 34a_100009893172_100000210312 [1,1,0,0,0,0|2,0,0]=4 9312 B10R0.97 CC(C)CCOCCC(C)C 34a_100000210254_100000210312 [1,1,0,0,0,0|2,0,0]=4 9313 B10R0.97 CC(C)CCOCCC(C)C 7a_100000210254_100000210626 [1,1,0,0,0,0|2,0,0]=4 9314 B10R0.97 CC(C)CCOCCC(C)O 34a_100000210254_100012276601 [1,1,0,0,0,0|1,0,0]=3 9315 B10R0.97 CC(C)CCOCCC(C)O 7a_100000210254_100012276601 [1,1,0,0,0,0|1,0,0]=3 9316 B10R0.97 CC(C)CCOCC[C@@H](C)N 34a_100000706166_100000210312 [1,1,0,0,0,0|2,0,0]=4 9317 B10R0.97 CC(C)CCSCCC(C)C 62a_100000210312_100000210312 [1,1,0,0,0,0|2,0,0]=4 9318 B10R0.97 CC(C)CCSCCC(C)O 62a_100000210312_100012276601 [1,1,0,0,0,0|1,0,0]=3 9319 B10R0.97 CC(C)CCSCCC(C)O 62a_100012276601_100000210312 [1,1,0,0,0,0|1,0,0]=3 9320 B10R0.97 CC(C)CNCCCC(C)O 2230a_100000210953_200000718107 [1,1,0,0,0,0|1,0,0]=3 9321 B10R0.97 CC(C)CNCCCC(C)O 34a_100000210953_200000718107 [1,1,0,0,0,0|1,0,0]=3 9322 B10R0.97 CC(C)COCCCC(C)O 34a_100000210257_200000718107 [1,1,0,0,0,0|1,0,0]=3 9323 B10R0.97 CC(C)CSCCCC(C)O 62a_100000210624_200000718107 [1,1,0,0,0,0|1,0,0]=3 9324 B10R0.97 CC(C)CSCCCC(C)O 62a_200000718107_100000210760 [1,1,0,0,0,0|1,0,0]=3 9325 B10R0.97 CC(C)NCCOC[C@@H](C)O 34a_100000224655_100009817552 [1,1,0,0,0,0|2,0,0]=4 9326 B10R0.97 CC(C)OCCNC[C@@H](C)O 2230a_100000701111_100009817552 [1,1,0,0,0,0|2,0,0]=4 9327 B10R0.97 CC(C)OCCNC[C@@H](C)O 34a_100000701111_100009817552 [1,1,0,0,0,0|2,0,0]=4 9328 B10R0.97 CC(C)OCCOC[C@@H](C)O 34a_100000211219_100009817552 [1,1,0,0,0,0|2,0,0]=4 9329 B10R0.97 CC(C)OCCOC[C@@H](C)O 7a_100000211219_100009817552 [1,1,0,0,0,0|2,0,0]=4 9330 B10R0.97 CC(C)OCCSC[C@@H](C)O 62a_100000211751_100009817552 [1,1,0,0,0,0|2,0,0]=4 9331 B10R0.97 CC(C)OCCSC[C@@H](C)O 62a_100009817552_100000211751 [1,1,0,0,0,0|2,0,0]=4 9332 B10R0.97 CC(C)SCCNC[C@@H](C)O 2230a_100000731138_100009817552 [1,1,0,0,0,0|2,0,0]=4 9333 B10R0.97 CC(C)SCCNC[C@@H](C)O 34a_100000731138_100009817552 [1,1,0,0,0,0|2,0,0]=4 9334 B10R0.97 CC(C)SCCOC[C@@H](C)O 34a_200011212901_100009817552 [1,1,0,0,0,0|2,0,0]=4 9335 B10R0.97 CC(C)SCCOC[C@@H](C)O 7a_200011212901_100009817552 [1,1,0,0,0,0|2,0,0]=4 9336 B10R0.97 CC(C)SCCSC[C@@H](C)O 62a_100000730970_100009817552 [1,1,0,0,0,0|2,0,0]=4 9337 B10R0.97 CC(C)SCCSC[C@@H](C)O 62a_100009817552_100000730970 [1,1,0,0,0,0|2,0,0]=4 9338 B10R0.97 CC(O)CCCNCC(C)O 2230a_100000210904_200000718107 [1,1,0,0,0,0|1,0,0]=3 9339 B10R0.97 CC(O)CCCNCC(C)O 34a_100000210904_200000718107 [1,1,0,0,0,0|1,0,0]=3 9340 B10R0.97 CC(O)CCCNCC(F)F 34a_100000765723_200000718107 [1,1,0,0,0,0|2,0,0]=4 9341 B10R0.97 CC(O)CCCOCC(C)Br 34a_100012180447_200000718107 [1,1,0,0,0,0|1,0,0]=3 9342 B10R0.97 CC(O)CCCOCC(C)F 34a_100015925927_200000718107 [1,1,0,0,0,0|1,0,0]=3 9343 B10R0.97 CC(O)CCCOCC(F)F 34a_100000743014_200000718107 [1,1,0,0,0,0|2,0,0]=4 9344 B10R0.97 CC(O)CCCOC[C@@H](C)Cl 34a_100016084084_200000718107 [1,1,0,0,0,0|1,0,0]=3 9345 B10R0.97 CC(O)CCCOC[C@@H](C)N 34a_100000737577_200000718107 [1,1,0,0,0,0|1,0,0]=3 9346 B10R0.97 CC(O)CCCSCC(C)O 62a_100011218427_200000718107 [1,1,0,0,0,0|1,0,0]=3 9347 B10R0.97 CC(O)CCCSCC(C)O 62a_200000718107_100011218427 [1,1,0,0,0,0|1,0,0]=3 9348 B10R0.97 CC(O)CCCSCC(F)F 62a_100011934356_200000718107 [1,1,0,0,0,0|2,0,0]=4 9349 B10R0.97 CC(O)CCCSCC(F)F 62a_200000718107_100011934356 [1,1,0,0,0,0|2,0,0]=4 9350 B10R0.97 CC(O)CCCSC[C@@H](C)O 62a_100009817552_200000718107 [1,1,0,0,0,0|1,0,0]=3 9351 B10R0.97 CC(O)CCCSC[C@@H](C)O 62a_200000718107_100009817552 [1,1,0,0,0,0|1,0,0]=3 9352 B10R0.97 CC(O)CCNCCC(C)O 2230a_200000755665_100012276601 [1,1,0,0,0,0|1,0,0]=3 9353 B10R0.97 CC(O)CCNCOC(C)C 2230a_200000755665_100000709892 [1,1,0,0,0,0|2,0,0]=4 9354 B10R0.97 CC(O)CCOCCC(C)Br 34a_100009893172_100012276601 [1,1,0,0,0,0|1,0,0]=3 9355 B10R0.97 CC(O)CCOCCC(F)F 34a_100103093639_100012276601 [1,1,0,0,0,0|2,0,0]=4 9356 B10R0.97 CC(O)CCOCC[C@@H](C)N 34a_100000706166_100012276601 [1,1,0,0,0,0|1,0,0]=3 9357 B10R0.97 CC(O)CCSCCC(C)O 62a_100012276601_100012276601 [1,1,0,0,0,0|1,0,0]=3 9358 B10R0.97 CC(O)CCSCCN(C)C 62a_100012276601_100000755713 [1,1,0,0,0,0|2,0,0]=4 9359 B10R0.97 CC(O)CCSCOC(C)C 62a_100000709892_100012276601 [1,1,0,0,0,0|2,0,0]=4 9360 B10R0.97 CC(O)CCSCOC(C)C 62a_100012276601_100000709892 [1,1,0,0,0,0|2,0,0]=4 9361 B10R0.97 CC(O)CNCCCS(=O)C 2230a_200000753449_100011218427 [1,1,0,0,0,0|2,0,0]=4 9362 B10R0.97 CC(O)CNCCOC(C)C 2230a_100000210904_100000211751 [1,1,0,0,0,0|2,0,0]=4 9363 B10R0.97 CC(O)CNCCOC(C)C 2230a_100000701111_100011218427 [1,1,0,0,0,0|2,0,0]=4 9364 B10R0.97 CC(O)CNCCOC(C)C 34a_100000210904_100000211751 [1,1,0,0,0,0|2,0,0]=4 9365 B10R0.97 CC(O)CNCCOC(C)C 34a_100000701111_100011218427 [1,1,0,0,0,0|2,0,0]=4 9366 B10R0.97 CC(O)CNCCSC(C)C 2230a_100000210904_100000730970 [1,1,0,0,0,0|2,0,0]=4 9367 B10R0.97 CC(O)CNCCSC(C)C 2230a_100000731138_100011218427 [1,1,0,0,0,0|2,0,0]=4 9368 B10R0.97 CC(O)CNCCSC(C)C 34a_100000210904_100000730970 [1,1,0,0,0,0|2,0,0]=4 9369 B10R0.97 CC(O)CNCCSC(C)C 34a_100000731138_100011218427 [1,1,0,0,0,0|2,0,0]=4 9370 B10R0.97 CC(O)COCCNC(C)C 34a_100000224655_100011218427 [1,1,0,0,0,0|2,0,0]=4 9371 B10R0.97 CC(O)COCCOC(C)C 34a_100000211219_100011218427 [1,1,0,0,0,0|2,0,0]=4 9372 B10R0.97 CC(O)COCCOC(C)C 7a_100000211219_100011218427 [1,1,0,0,0,0|2,0,0]=4 9373 B10R0.97 CC(O)COCCSC(C)C 34a_200011212901_100011218427 [1,1,0,0,0,0|2,0,0]=4 9374 B10R0.97 CC(O)COCCSC(C)C 7a_200011212901_100011218427 [1,1,0,0,0,0|2,0,0]=4 9375 B10R0.97 CC(O)CSCCCN(C)C 62a_100011218427_100000757444 [1,1,0,0,0,0|2,0,0]=4 9376 B10R0.97 CC(O)CSCCOC(C)C 62a_100000211751_100011218427 [1,1,0,0,0,0|2,0,0]=4 9377 B10R0.97 CC(O)CSCCOC(C)C 62a_100011218427_100000211751 [1,1,0,0,0,0|2,0,0]=4 9378 B10R0.97 CC(O)CSCCSC(C)C 62a_100000730970_100011218427 [1,1,0,0,0,0|2,0,0]=4 9379 B10R0.97 CC(O)CSCCSC(C)C 62a_100011218427_100000730970 [1,1,0,0,0,0|2,0,0]=4 9380 B10R0.97 C[C@@H](O)CNCCCS(=O)C 2230a_200000753449_100009817552 [1,1,0,0,0,0|2,0,0]=4 9381 B10R0.97 C[C@@H](O)CSCCCN(C)C 62a_100009817552_100000757444 [1,1,0,0,0,0|2,0,0]=4 9382 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [1,1,0,0,0,0|1,0,1]=4 9383 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [1,1,0,0,0,0|1,0,1]=4 9384 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [1,1,0,0,0,0|1,0,1]=4 9385 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [1,1,0,0,0,0|1,0,1]=4 9386 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [1,1,0,0,0,0|1,0,1]=4 9387 B10R0.1 CCCC(C)CCCOCC 34a_100011713154_100000210202 [1,1,0,0,0,0|1,0,0]=3 9388 B10R0.1 CCCC(C)CCCOCC 7a_100011713154_100000210202 [1,1,0,0,0,0|1,0,0]=3 9389 B10R0.1 CCCC(C)CCCOCF 34a_100011713154_100015361967 [1,1,0,0,0,0|2,0,0]=4 9390 B10R0.1 CCCC(C)CCCOCF 7a_100011713154_100015361967 [1,1,0,0,0,0|2,0,0]=4 9391 B10R0.1 CCCC(C)CCOCCF 34a_100011217855_100011217306 [1,1,0,0,0,0|2,0,0]=4 9392 B10R0.1 CCCC(C)CCOCCF 7a_100011217855_100011217306 [1,1,0,0,0,0|2,0,0]=4 9393 B10R0.1 CCCC(C)CCOCCO 34a_100011217855_100000211926 [1,1,0,0,0,0|2,0,0]=4 9394 B10R0.1 CCCC(C)CCOCCO 7a_100011217855_100000211926 [1,1,0,0,0,0|2,0,0]=4 9395 B10R0.1 CCCC(C)CCOCSC 34a_100011217855_100011218213 [1,1,0,0,0,0|2,0,0]=4 9396 B10R0.1 CCCC(C)CNCCCF 2230a_100015189416_100011216630 [1,1,0,0,0,0|2,0,0]=4 9397 B10R0.1 CCCC(C)CNCCCF 270004a_100015189416_100000243154 [1,1,0,0,0,0|2,0,0]=4 9398 B10R0.1 CCCC(C)CNCCCF 34a_100015189416_100011216630 [1,1,0,0,0,0|2,0,0]=4 9399 B10R0.1 CCCC(C)CNCCCO 270004a_100000182051_100000243154 [1,1,0,0,0,0|2,0,0]=4 9400 B10R0.1 CCCC(C)CNCCOC 2230a_100000209980_100011216630 [1,1,0,0,0,0|2,0,0]=4 9401 B10R0.1 CCCC(C)CNCCOC 270004a_100000209980_100000243154 [1,1,0,0,0,0|2,0,0]=4 9402 B10R0.1 CCCC(C)CNCCSC 2230a_100020590264_100011216630 [1,1,0,0,0,0|2,0,0]=4 9403 B10R0.1 CCCC(C)CNCCSC 270004a_100020590264_100000243154 [1,1,0,0,0,0|2,0,0]=4 9404 B10R0.1 CCCC(C)COCCCBr 34a_100011217188_100011216630 [1,1,0,0,0,0|2,0,0]=4 9405 B10R0.1 CCCC(C)COCCCCl 34a_100000230001_100011216630 [1,1,0,0,0,0|2,0,0]=4 9406 B10R0.1 CCCC(C)COCCCF 34a_100000688023_100011934791 [1,1,0,0,0,0|2,0,0]=4 9407 B10R0.1 CCCC(C)COCCCF 34a_100000759539_100011216630 [1,1,0,0,0,0|2,0,0]=4 9408 B10R0.1 CCCC(C)COCCCF 7a_100000688023_100011934791 [1,1,0,0,0,0|2,0,0]=4 9409 B10R0.1 CCCC(C)COCCCN 34a_100000182051_100011216630 [1,1,0,0,0,0|2,0,0]=4 9410 B10R0.1 CCCC(C)COCCCO 34a_100000688023_100000230001 [1,1,0,0,0,0|2,0,0]=4 9411 B10R0.1 CCCC(C)COCCCO 7a_100000688023_100011215043 [1,1,0,0,0,0|2,0,0]=4 9412 B10R0.1 CCCC(C)COCCOC 34a_100000210237_100011216630 [1,1,0,0,0,0|2,0,0]=4 9413 B10R0.1 CCCC(C)COCCOC 34a_100000688023_100011201679 [1,1,0,0,0,0|2,0,0]=4 9414 B10R0.1 CCCC(C)COCCOC 7a_100000688023_100000233755 [1,1,0,0,0,0|2,0,0]=4 9415 B10R0.1 CCCC(C)COCCSC 34a_100000230434_100011216630 [1,1,0,0,0,0|2,0,0]=4 9416 B10R0.1 CCCC(C)COCCSC 34a_100000688023_100000212216 [1,1,0,0,0,0|2,0,0]=4 9417 B10R0.1 CCCC(C)COCCSC 7a_100000230434_100011216630 [1,1,0,0,0,0|2,0,0]=4 9418 B10R0.1 CCCC(C)COCCSC 7a_100000688023_100000212216 [1,1,0,0,0,0|2,0,0]=4 9419 B10R0.1 CCCC(C)CSCCCF 62a_100011216630_100011934791 [1,1,0,0,0,0|2,0,0]=4 9420 B10R0.1 CCCC(C)CSCCCF 62a_100011934791_100011216630 [1,1,0,0,0,0|2,0,0]=4 9421 B10R0.1 CCCC(C)CSCCCO 62a_100011215043_100011216630 [1,1,0,0,0,0|2,0,0]=4 9422 B10R0.1 CCCC(C)CSCCCO 62a_100011216630_100011215043 [1,1,0,0,0,0|2,0,0]=4 9423 B10R0.1 CCCC(C)CSCCOC 62a_100000233755_100011216630 [1,1,0,0,0,0|2,0,0]=4 9424 B10R0.1 CCCC(C)CSCCOC 62a_100011216630_100000233755 [1,1,0,0,0,0|2,0,0]=4 9425 B10R0.1 CCCC(C)CSCCSC 62a_100000212216_100011216630 [1,1,0,0,0,0|2,0,0]=4 9426 B10R0.1 CCCC(C)CSCCSC 62a_100011216630_100000751147 [1,1,0,0,0,0|2,0,0]=4 9427 B10R0.1 CCCC(C)CSCOCC 62a_100000739092_100011216630 [1,1,0,0,0,0|2,0,0]=4 9428 B10R0.1 CCCC(C)CSCOCC 62a_100011216630_100000739092 [1,1,0,0,0,0|2,0,0]=4 9429 B10R0.1 CCCC(C)NCCCCF 2230a_100000741246_100000729493 [1,1,0,0,0,0|2,0,0]=4 9430 B10R0.1 CCCC(C)NCCCCO 2230a_100000741246_100000210776 [1,1,0,0,0,0|2,0,0]=4 9431 B10R0.1 CCCC(C)NCCCCO 2230a_100000750430_100000766640 [1,1,0,0,0,0|2,0,0]=4 9432 B10R0.1 CCCC(C)NCCCCO 270004a_100000750430_100000211909 [1,1,0,0,0,0|2,0,0]=4 9433 B10R0.1 CCCC(C)NCCCCO 34a_100000750430_100000766640 [1,1,0,0,0,0|2,0,0]=4 9434 B10R0.1 CCCC(C)NCCCOC 2230a_100000741246_100000740836 [1,1,0,0,0,0|2,0,0]=4 9435 B10R0.1 CCCC(C)NCCCOC 270004a_100150723488_100000211909 [1,1,0,0,0,0|2,0,0]=4 9436 B10R0.1 CCCC(C)NCCCOC 34a_100150723488_100000766640 [1,1,0,0,0,0|2,0,0]=4 9437 B10R0.1 CCCC(C)NCCCSC 2230a_100000749238_100000766640 [1,1,0,0,0,0|2,0,0]=4 9438 B10R0.1 CCCC(C)NCCCSC 270004a_100000749238_100000211909 [1,1,0,0,0,0|2,0,0]=4 9439 B10R0.1 CCCC(C)NCCOCC 2230a_100000741246_100011215890 [1,1,0,0,0,0|2,0,0]=4 9440 B10R0.1 CCCC(C)NCCOCC 2230a_102516460346_100000766640 [1,1,0,0,0,0|2,0,0]=4 9441 B10R0.1 CCCC(C)NCCOCC 270004a_102516460346_100000211909 [1,1,0,0,0,0|2,0,0]=4 9442 B10R0.1 CCCC(C)NCCOCC 34a_102516460346_100000766640 [1,1,0,0,0,0|2,0,0]=4 9443 B10R0.1 CCCC(C)NCCSCC 2230a_100000106463_100000766640 [1,1,0,0,0,0|2,0,0]=4 9444 B10R0.1 CCCC(C)NCCSCC 2230a_100000741246_100000757381 [1,1,0,0,0,0|2,0,0]=4 9445 B10R0.1 CCCC(C)NCCSCC 270004a_100000106463_100000211909 [1,1,0,0,0,0|2,0,0]=4 9446 B10R0.1 CCCC(C)OCCCCBr 34a_100011216708_100000766640 [1,1,0,0,0,0|2,0,0]=4 9447 B10R0.1 CCCC(C)OCCCCCl 34a_100000210776_100000766640 [1,1,0,0,0,0|2,0,0]=4 9448 B10R0.1 CCCC(C)OCCCCCl 7a_100000210776_100000766640 [1,1,0,0,0,0|2,0,0]=4 9449 B10R0.1 CCCC(C)OCCCCF 34a_100000764384_100000729493 [1,1,0,0,0,0|2,0,0]=4 9450 B10R0.1 CCCC(C)OCCCCF 34a_100011995726_100000766640 [1,1,0,0,0,0|2,0,0]=4 9451 B10R0.1 CCCC(C)OCCCCF 7a_100000764384_100000729493 [1,1,0,0,0,0|2,0,0]=4 9452 B10R0.1 CCCC(C)OCCCCF 7a_100011995726_100000766640 [1,1,0,0,0,0|2,0,0]=4 9453 B10R0.1 CCCC(C)OCCCCI 34a_200012148704_100000766640 [1,1,0,0,0,0|2,0,0]=4 9454 B10R0.1 CCCC(C)OCCCCN 34a_100000750430_100000766640 [1,1,0,0,0,0|2,0,0]=4 9455 B10R0.1 CCCC(C)OCCCCO 34a_100000764384_100011216708 [1,1,0,0,0,0|2,0,0]=4 9456 B10R0.1 CCCC(C)OCCCCO 7a_100000764384_100000210776 [1,1,0,0,0,0|2,0,0]=4 9457 B10R0.1 CCCC(C)OCCCNC 34a_100000213112_100000766640 [1,1,0,0,0,0|2,0,0]=4 9458 B10R0.1 CCCC(C)OCCCOC 34a_100000740835_100000766640 [1,1,0,0,0,0|2,0,0]=4 9459 B10R0.1 CCCC(C)OCCCOC 34a_100000764384_100000740836 [1,1,0,0,0,0|2,0,0]=4 9460 B10R0.1 CCCC(C)OCCCOC 7a_100000764384_100000740836 [1,1,0,0,0,0|2,0,0]=4 9461 B10R0.1 CCCC(C)OCCCSC 34a_100000690336_100000766640 [1,1,0,0,0,0|2,0,0]=4 9462 B10R0.1 CCCC(C)OCCCSC 7a_100000690336_100000766640 [1,1,0,0,0,0|2,0,0]=4 9463 B10R0.1 CCCC(C)OCCOCC 34a_100000210136_100000766640 [1,1,0,0,0,0|2,0,0]=4 9464 B10R0.1 CCCC(C)OCCOCC 34a_100000764384_100000210147 [1,1,0,0,0,0|2,0,0]=4 9465 B10R0.1 CCCC(C)OCCOCC 7a_100000210136_100000766640 [1,1,0,0,0,0|2,0,0]=4 9466 B10R0.1 CCCC(C)OCCOCC 7a_100000764384_100011215890 [1,1,0,0,0,0|2,0,0]=4 9467 B10R0.1 CCCC(C)OCCSCC 34a_100000212035_100000766640 [1,1,0,0,0,0|2,0,0]=4 9468 B10R0.1 CCCC(C)OCCSCC 34a_100000764384_100000757381 [1,1,0,0,0,0|2,0,0]=4 9469 B10R0.1 CCCC(C)OCCSCC 7a_100000212035_100000766640 [1,1,0,0,0,0|2,0,0]=4 9470 B10R0.1 CCCC(C)OCCSCC 7a_100000764384_100000757381 [1,1,0,0,0,0|2,0,0]=4 9471 B10R0.1 CCCC(C)SCCCCF 62a_100000729493_100000766640 [1,1,0,0,0,0|2,0,0]=4 9472 B10R0.1 CCCC(C)SCCCCF 62a_100000766640_100000729493 [1,1,0,0,0,0|2,0,0]=4 9473 B10R0.1 CCCC(C)SCCCCO 62a_100000210776_100000766640 [1,1,0,0,0,0|2,0,0]=4 9474 B10R0.1 CCCC(C)SCCCCO 62a_100000766640_100000210776 [1,1,0,0,0,0|2,0,0]=4 9475 B10R0.1 CCCC(C)SCCCOC 62a_100000709357_100000766640 [1,1,0,0,0,0|2,0,0]=4 9476 B10R0.1 CCCC(C)SCCCOC 62a_100000766640_100000709357 [1,1,0,0,0,0|2,0,0]=4 9477 B10R0.1 CCCC(C)SCCOCC 62a_100000210147_100000766640 [1,1,0,0,0,0|2,0,0]=4 9478 B10R0.1 CCCC(C)SCCOCC 62a_100000766640_100011215890 [1,1,0,0,0,0|2,0,0]=4 9479 B10R0.1 CCCC(C)SCCSCC 62a_100000757381_100000766640 [1,1,0,0,0,0|2,0,0]=4 9480 B10R0.1 CCCC(C)SCCSCC 62a_100000766640_100000757381 [1,1,0,0,0,0|2,0,0]=4 9481 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [1,1,0,0,0,0|0,0,1]=3 9482 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [1,1,0,0,0,0|0,0,1]=3 9483 B10R0.1 CCCCCCC(=O)CCF 1458a_100102632555_100011217306 [1,1,0,0,0,0|1,0,1]=4 9484 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [1,1,0,0,0,0|1,0,1]=4 9485 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [1,1,0,0,0,0|1,0,1]=4 9486 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [1,1,0,0,0,0|1,0,1]=4 9487 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [1,1,0,0,0,0|1,0,1]=4 9488 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [1,1,0,0,0,0|1,0,1]=4 9489 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [1,1,0,0,0,0|1,0,1]=4 9490 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [1,1,0,0,0,0|1,0,1]=4 9491 B10R0.1 CCCCCCC(C)NCC 2230a_100000210919_100000210202 [1,1,0,0,0,0|1,0,0]=3 9492 B10R0.1 CCCCCCC(C)NCC 2230a_100015525214_100011215978 [1,1,0,0,0,0|1,0,0]=3 9493 B10R0.1 CCCCCCC(C)NCC 270004a_100015525214_100000210826 [1,1,0,0,0,0|1,0,0]=3 9494 B10R0.1 CCCCCCC(C)NCC 34a_100000210919_100000210202 [1,1,0,0,0,0|1,0,0]=3 9495 B10R0.1 CCCCCCC(C)NCF 34a_100000210919_100015361967 [1,1,0,0,0,0|2,0,0]=4 9496 B10R0.1 CCCCCCC(C)OCC 34a_100000210265_100000210202 [1,1,0,0,0,0|1,0,0]=3 9497 B10R0.1 CCCCCCC(C)OCC 34a_100121572206_100011215978 [1,1,0,0,0,0|1,0,0]=3 9498 B10R0.1 CCCCCCC(C)OCC 7a_100000210265_100000210202 [1,1,0,0,0,0|1,0,0]=3 9499 B10R0.1 CCCCCCC(C)OCF 34a_100000210265_100015361967 [1,1,0,0,0,0|2,0,0]=4 9500 B10R0.1 CCCCCCC(C)OCF 7a_100000210265_100015361967 [1,1,0,0,0,0|2,0,0]=4 9501 B10R0.1 CCCCCCC(C)SCC 62a_100000210202_100011215978 [1,1,0,0,0,0|1,0,0]=3 9502 B10R0.1 CCCCCCC(C)SCC 62a_100011215978_100000210202 [1,1,0,0,0,0|1,0,0]=3 9503 B10R0.1 CCCCCCC(C)SCF 62a_100011215978_100015361967 [1,1,0,0,0,0|2,0,0]=4 9504 B10R0.1 CCCCCCC(C)SCF 62a_100015361967_100011215978 [1,1,0,0,0,0|2,0,0]=4 9505 B10R0.1 CCCCCCN(C)CCC 2230a_100000747261_100000210314 [1,1,0,0,0,0|1,0,0]=3 9506 B10R0.1 CCCCCCN(C)CCC 2230a_106256046315_100000210303 [1,1,0,0,0,0|1,0,0]=3 9507 B10R0.1 CCCCCCN(C)CCC 269982a_100000747261_100000210757 [1,1,0,0,0,0|1,0,0]=3 9508 B10R0.1 CCCCCCN(C)CCC 269982a_106256046315_100000210303 [1,1,0,0,0,0|1,0,0]=3 9509 B10R0.1 CCCCCCN(C)CCF 2230a_106256046315_100011217306 [1,1,0,0,0,0|2,0,0]=4 9510 B10R0.1 CCCCCCN(C)CCF 269982a_106256046315_100011217306 [1,1,0,0,0,0|2,0,0]=4 9511 B10R0.1 CCCCCCN(C)CCO 2230a_100000210263_100000210314 [1,1,0,0,0,0|2,0,0]=4 9512 B10R0.1 CCCCCCN(C)CCO 2230a_106256046315_100000211926 [1,1,0,0,0,0|2,0,0]=4 9513 B10R0.1 CCCCCCN(C)CCO 269982a_100000210263_100000210757 [1,1,0,0,0,0|2,0,0]=4 9514 B10R0.1 CCCCCCN(C)CCO 269982a_106256046315_100000211926 [1,1,0,0,0,0|2,0,0]=4 9515 B10R0.1 CCCCCCN(C)COC 2230a_106256046315_100000766300 [1,1,0,0,0,0|2,0,0]=4 9516 B10R0.1 CCCCCCN(C)COC 269982a_106256046315_100000766300 [1,1,0,0,0,0|2,0,0]=4 9517 B10R0.1 CCCCCCN(C)CSC 2230a_106256046315_100011218213 [1,1,0,0,0,0|2,0,0]=4 9518 B10R0.1 CCCCCCN(C)CSC 269982a_106256046315_100011218213 [1,1,0,0,0,0|2,0,0]=4 9519 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [1,1,0,0,0,0|1,0,1]=4 9520 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [1,1,0,0,0,0|1,0,1]=4 9521 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [1,1,0,0,0,0|1,0,1]=4 9522 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [1,1,0,0,0,0|1,0,1]=4 9523 B10R0.1 CCCCCNC(C)CCC 2230a_100000209983_100000766640 [1,1,0,0,0,0|1,0,0]=3 9524 B10R0.1 CCCCCNC(C)CCC 2230a_100000741246_100000210326 [1,1,0,0,0,0|1,0,0]=3 9525 B10R0.1 CCCCCNC(C)CCC 270004a_100000209983_100000211909 [1,1,0,0,0,0|1,0,0]=3 9526 B10R0.1 CCCCCNC(C)CCO 2230a_100000209983_100009893172 [1,1,0,0,0,0|2,0,0]=4 9527 B10R0.1 CCCCCNC(C)COC 2230a_100000209983_100000765312 [1,1,0,0,0,0|2,0,0]=4 9528 B10R0.1 CCCCCNC(C)COC 270004a_100000209983_100000749346 [1,1,0,0,0,0|2,0,0]=4 9529 B10R0.1 CCCCCNC(C)CSC 270004a_100000209983_100011216314 [1,1,0,0,0,0|2,0,0]=4 9530 B10R0.1 CCCCCN[C@H](C)CCO 2230a_100000706166_100000210326 [1,1,0,0,0,0|2,0,0]=4 9531 B10R0.1 CCCCCN[C@H](C)CCO 34a_100000706166_100000718602 [1,1,0,0,0,0|2,0,0]=4 9532 B10R0.1 CCCCCN[C@H](C)COC 2230a_100000764878_100000210326 [1,1,0,0,0,0|2,0,0]=4 9533 B10R0.1 CCCCCOC(C)CCBr 34a_100012276601_100000718602 [1,1,0,0,0,0|2,0,0]=4 9534 B10R0.1 CCCCCOC(C)CCC 34a_100000210253_100000766640 [1,1,0,0,0,0|1,0,0]=3 9535 B10R0.1 CCCCCOC(C)CCC 34a_100000764384_100000718602 [1,1,0,0,0,0|1,0,0]=3 9536 B10R0.1 CCCCCOC(C)CCC 7a_100000210253_100000766640 [1,1,0,0,0,0|1,0,0]=3 9537 B10R0.1 CCCCCOC(C)CCC 7a_100000764384_100000210326 [1,1,0,0,0,0|1,0,0]=3 9538 B10R0.1 CCCCCOC(C)CCO 34a_100000210253_100009893172 [1,1,0,0,0,0|2,0,0]=4 9539 B10R0.1 CCCCCOC(C)CCO 7a_100000210253_100009893172 [1,1,0,0,0,0|2,0,0]=4 9540 B10R0.1 CCCCCOC(C)COC 34a_100000210253_100000765312 [1,1,0,0,0,0|2,0,0]=4 9541 B10R0.1 CCCCCOC(C)COC 7a_100000210253_100000765312 [1,1,0,0,0,0|2,0,0]=4 9542 B10R0.1 CCCCCO[C@H](C)COC 34a_100011934205_100000718602 [1,1,0,0,0,0|2,0,0]=4 9543 B10R0.1 CCCCCSC(C)CCC 62a_100000210326_100000766640 [1,1,0,0,0,0|1,0,0]=3 9544 B10R0.1 CCCCCSC(C)CCC 62a_100000766640_100000210326 [1,1,0,0,0,0|1,0,0]=3 9545 B10R0.1 CCCCCSC(C)CCO 62a_100000210326_100009893172 [1,1,0,0,0,0|2,0,0]=4 9546 B10R0.1 CCCCCSC(C)CCO 62a_100009893172_100000210326 [1,1,0,0,0,0|2,0,0]=4 9547 B10R0.1 CCCCCSC(C)COC 62a_100000210326_100000765312 [1,1,0,0,0,0|2,0,0]=4 9548 B10R0.1 CCCCCSC(C)COC 62a_100000765312_100000210326 [1,1,0,0,0,0|2,0,0]=4 9549 B10R0.1 CCCCNCC(=O)CCC 2230a_100000102301_100000747444 [1,1,0,0,0,0|1,0,1]=4 9550 B10R0.1 CCCCNCC(=O)CCC 7a_106832991798_100000747444 [1,1,0,0,0,0|1,0,1]=4 9551 B10R0.1 CCCCNCC(C)CCC 2230a_100000102301_100011216630 [1,1,0,0,0,0|1,0,0]=3 9552 B10R0.1 CCCCNCC(C)CCC 270004a_100000102301_100000243154 [1,1,0,0,0,0|1,0,0]=3 9553 B10R0.1 CCCCNCC(C)CCC 7a_106832991798_100011216630 [1,1,0,0,0,0|1,0,0]=3 9554 B10R0.1 CCCCNCC(O)COC 2230a_100000756049_100000210211 [1,1,0,0,0,0|2,0,0]=4 9555 B10R0.1 CCCCNCC(O)COC 34a_100000756049_100000210210 [1,1,0,0,0,0|2,0,0]=4 9556 B10R0.1 CCCCNCC(O)COC 7a_106832991798_100011215053 [1,1,0,0,0,0|2,0,0]=4 9557 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [1,1,0,0,0,0|1,0,1]=4 9558 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [1,1,0,0,0,0|1,0,1]=4 9559 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [1,1,0,0,0,0|1,0,1]=4 9560 B10R0.1 CCCCOCC(C)CCC 34a_100000210227_100011216630 [1,1,0,0,0,0|1,0,0]=3 9561 B10R0.1 CCCCOCC(C)CCC 34a_100000688023_100000210210 [1,1,0,0,0,0|1,0,0]=3 9562 B10R0.1 CCCCOCC(C)CCC 7a_100000210227_100011216630 [1,1,0,0,0,0|1,0,0]=3 9563 B10R0.1 CCCCOCC(C)CCC 7a_100000688023_100000210211 [1,1,0,0,0,0|1,0,0]=3 9564 B10R0.1 CCCCOCC(C)CCN 34a_106354213184_100000210210 [1,1,0,0,0,0|2,0,0]=4 9565 B10R0.1 CCCCOCC(C)OCC 34a_100011217071_100000210202 [1,1,0,0,0,0|2,0,0]=4 9566 B10R0.1 CCCCOCC(C)OCC 7a_100011217071_100000210202 [1,1,0,0,0,0|2,0,0]=4 9567 B10R0.1 CCCCOCC(N)COC 34a_100000724102_100000210210 [1,1,0,0,0,0|2,0,0]=4 9568 B10R0.1 CCCCOCC(O)COC 34a_100000210227_100011215053 [1,1,0,0,0,0|2,0,0]=4 9569 B10R0.1 CCCCOCC(O)COC 7a_100000210227_100011215053 [1,1,0,0,0,0|2,0,0]=4 9570 B10R0.1 CCCCOCN(C)CCC 2230a_100000747261_100011995733 [1,1,0,0,0,0|2,0,0]=4 9571 B10R0.1 CCCCOCN(C)CCC 269982a_100000747261_100011995733 [1,1,0,0,0,0|2,0,0]=4 9572 B10R0.1 CCCCOC[C@@H](N)CCC 34a_100000732646_100000210210 [1,1,0,0,0,0|1,0,0]=3 9573 B10R0.1 CCCCSCC(=O)CCC 1458a_100000191162_100000210303 [1,1,0,0,0,0|1,0,1]=4 9574 B10R0.1 CCCCSCC(=O)CCC 62a_100000210211_100000747444 [1,1,0,0,0,0|1,0,1]=4 9575 B10R0.1 CCCCSCC(=O)CCC 62a_100000747444_100000210210 [1,1,0,0,0,0|1,0,1]=4 9576 B10R0.1 CCCCSCC(C)CCC 62a_100000210211_100011216630 [1,1,0,0,0,0|1,0,0]=3 9577 B10R0.1 CCCCSCC(C)CCC 62a_100011216630_100000210210 [1,1,0,0,0,0|1,0,0]=3 9578 B10R0.1 CCCCSCC(O)COC 62a_100000210211_100011215053 [1,1,0,0,0,0|2,0,0]=4 9579 B10R0.1 CCCCSCC(O)COC 62a_100011215053_100000210210 [1,1,0,0,0,0|2,0,0]=4 9580 B10R0.1 CCCN(C)CCCCCF 2230a_100000747261_100000729378 [1,1,0,0,0,0|2,0,0]=4 9581 B10R0.1 CCCN(C)CCCCCF 269982a_100000747261_100000729378 [1,1,0,0,0,0|2,0,0]=4 9582 B10R0.1 CCCN(C)CCCCCO 2230a_100000722520_100000210303 [1,1,0,0,0,0|2,0,0]=4 9583 B10R0.1 CCCN(C)CCCCCO 2230a_100000747261_100000746330 [1,1,0,0,0,0|2,0,0]=4 9584 B10R0.1 CCCN(C)CCCCCO 269982a_100000722520_100000210303 [1,1,0,0,0,0|2,0,0]=4 9585 B10R0.1 CCCN(C)CCCCCO 269982a_100000747261_100000746330 [1,1,0,0,0,0|2,0,0]=4 9586 B10R0.1 CCCN(C)CCCCOC 2230a_100000747261_100000730899 [1,1,0,0,0,0|2,0,0]=4 9587 B10R0.1 CCCN(C)CCCCOC 269982a_100000747261_100000730899 [1,1,0,0,0,0|2,0,0]=4 9588 B10R0.1 CCCN(C)CCCOCC 2230a_100000747261_100012232248 [1,1,0,0,0,0|2,0,0]=4 9589 B10R0.1 CCCN(C)CCCOCC 269982a_100000747261_100012232248 [1,1,0,0,0,0|2,0,0]=4 9590 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [1,1,0,0,0,0|1,0,1]=4 9591 B10R0.1 CCCOCCC(C)CCC 34a_100011217855_100000210303 [1,1,0,0,0,0|1,0,0]=3 9592 B10R0.1 CCCOCCC(C)CCC 7a_100011217855_100000210303 [1,1,0,0,0,0|1,0,0]=3 9593 B10R0.1 CCCOCCN(C)CCC 2230a_100000747261_100011215938 [1,1,0,0,0,0|2,0,0]=4 9594 B10R0.1 CCCOCCN(C)CCC 269982a_100000747261_100011215938 [1,1,0,0,0,0|2,0,0]=4 9595 B10R0.1 CCCOCC[C@@H](N)CCC 34a_100015193777_100000210303 [1,1,0,0,0,0|1,0,0]=3 9596 B10R0.1 CCC[C@H](N)CCOCCF 34a_100015193777_100011217306 [1,1,0,0,0,0|2,0,0]=4 9597 B10R0.1 CCC[C@H](N)CCOCCO 34a_100015193777_100000211926 [1,1,0,0,0,0|2,0,0]=4 9598 B10R0.1 CCC[C@H](N)CCOCSC 34a_100015193777_100011218213 [1,1,0,0,0,0|2,0,0]=4 9599 B10R0.1 CCC[C@H](N)COCCCF 34a_100000732646_100011934791 [1,1,0,0,0,0|2,0,0]=4 9600 B10R0.1 CCC[C@H](N)COCCCO 34a_100000732646_100000230001 [1,1,0,0,0,0|2,0,0]=4 9601 B10R0.1 CCC[C@H](N)COCCOC 34a_100000732646_100011201679 [1,1,0,0,0,0|2,0,0]=4 9602 B10R0.1 CCC[C@H](N)COCCSC 34a_100000732646_100000212216 [1,1,0,0,0,0|2,0,0]=4 9603 B10R0.71 C#CCCCCCCCNC 2230a_106832991635_100153394163 [1,1,0,0,0,0|0,0,2]=4 9604 B10R0.71 C#CCCCCCCCNC 34a_100102657272_100153394163 [1,1,0,0,0,0|0,0,2]=4 9605 B10R0.71 C#CCCCCCCCNC 7a_106832991635_100153394163 [1,1,0,0,0,0|0,0,2]=4 9606 B10R0.71 C#CCCCCCCCOC 34a_100000054614_200000210301 [1,1,0,0,0,0|0,0,2]=4 9607 B10R0.71 C#CCCCCCCCOC 34a_100138415774_100153394163 [1,1,0,0,0,0|0,0,2]=4 9608 B10R0.71 C#CCCCCCCCOC 7a_100000054614_200000210301 [1,1,0,0,0,0|0,0,2]=4 9609 B10R0.71 C#CCCCCCCCO[13CH3] 34a_100000054614_200025704644 [1,1,0,0,0,0|0,0,2]=4 9610 B10R0.71 C#CCCCCCCCO[13CH3] 7a_100000054614_200025704644 [1,1,0,0,0,0|0,0,2]=4 9611 B10R0.71 C#CCCCCCCCSC 62a_100153394163_200000210301 [1,1,0,0,0,0|0,0,2]=4 9612 B10R0.71 C#CCCCCCCCSC 62a_200000210301_100153394163 [1,1,0,0,0,0|0,0,2]=4 9613 B10R0.71 C#CCCCCCCCS[13CH3] 62a_100153394163_200025704644 [1,1,0,0,0,0|0,0,2]=4 9614 B10R0.71 C#CCCCCCCCS[13CH3] 62a_200025704644_100153394163 [1,1,0,0,0,0|0,0,2]=4 9615 B10R0.71 C#CCCCCCCNCC 2230a_100015525214_100012276617 [1,1,0,0,0,0|0,0,2]=4 9616 B10R0.71 C#CCCCCCCOCC 34a_100011217361_100000210202 [1,1,0,0,0,0|0,0,2]=4 9617 B10R0.71 C#CCCCCCCOCC 34a_100121572206_100012276617 [1,1,0,0,0,0|0,0,2]=4 9618 B10R0.71 C#CCCCCCCOCC 7a_100011217361_100000210202 [1,1,0,0,0,0|0,0,2]=4 9619 B10R0.71 C#CCCCCCCSCC 62a_100000210202_100012276617 [1,1,0,0,0,0|0,0,2]=4 9620 B10R0.71 C#CCCCCCCSCC 62a_100012276617_100000210202 [1,1,0,0,0,0|0,0,2]=4 9621 B10R0.71 C#CCCCCCOCCC 34a_100000210258_100012094781 [1,1,0,0,0,0|0,0,2]=4 9622 B10R0.71 C#CCCCCCOCCC 34a_100000766912_100000210303 [1,1,0,0,0,0|0,0,2]=4 9623 B10R0.71 C#CCCCCCOCCC 7a_100000766912_100000210303 [1,1,0,0,0,0|0,0,2]=4 9624 B10R0.71 C#CCCCCCSCCC 62a_100000210303_100012094781 [1,1,0,0,0,0|0,0,2]=4 9625 B10R0.71 C#CCCCCCSCCC 62a_100012094781_100000210303 [1,1,0,0,0,0|0,0,2]=4 9626 B10R0.71 C#CCCCCNCCCC 2230a_100000102301_100010269958 [1,1,0,0,0,0|0,0,2]=4 9627 B10R0.71 C#CCCCCNCCCC 2230a_100000706060_100000210211 [1,1,0,0,0,0|0,0,2]=4 9628 B10R0.71 C#CCCCCNCCCC 34a_100000706060_100000210210 [1,1,0,0,0,0|0,0,2]=4 9629 B10R0.71 C#CCCCCNCCCC 7a_106832991798_100010269958 [1,1,0,0,0,0|0,0,2]=4 9630 B10R0.71 C#CCCCCOCCCC 34a_100000210227_100010269958 [1,1,0,0,0,0|0,0,2]=4 9631 B10R0.71 C#CCCCCOCCCC 34a_100000766709_100000210210 [1,1,0,0,0,0|0,0,2]=4 9632 B10R0.71 C#CCCCCOCCCC 7a_100000210227_100010269958 [1,1,0,0,0,0|0,0,2]=4 9633 B10R0.71 C#CCCCCOCCCC 7a_100000766709_100000210211 [1,1,0,0,0,0|0,0,2]=4 9634 B10R0.71 C#CCCCCSCCCC 62a_100000210211_100010269958 [1,1,0,0,0,0|0,0,2]=4 9635 B10R0.71 C#CCCCCSCCCC 62a_100010269958_100000210210 [1,1,0,0,0,0|0,0,2]=4 9636 B10R0.71 C#CCCCNCCCCC 2230a_100000209983_100000731252 [1,1,0,0,0,0|0,0,2]=4 9637 B10R0.71 C#CCCCNCCCCC 34a_100000718082_100000718602 [1,1,0,0,0,0|0,0,2]=4 9638 B10R0.71 C#CCCCOCCCCC 34a_100000210253_100000695029 [1,1,0,0,0,0|0,0,2]=4 9639 B10R0.71 C#CCCCOCCCCC 34a_100000215630_100000718602 [1,1,0,0,0,0|0,0,2]=4 9640 B10R0.71 C#CCCCOCCCCC 7a_100000210253_100011215417 [1,1,0,0,0,0|0,0,2]=4 9641 B10R0.71 C#CCCCOCCCCC 7a_100000215630_100000210326 [1,1,0,0,0,0|0,0,2]=4 9642 B10R0.71 C#CCCCSCCCCC 62a_100000210326_100011215417 [1,1,0,0,0,0|0,0,2]=4 9643 B10R0.71 C#CCCCSCCCCC 62a_100011215417_100000210326 [1,1,0,0,0,0|0,0,2]=4 9644 B10R0.71 C#CCCNCCCCCC 2230a_100000210581_100000688953 [1,1,0,0,0,0|0,0,2]=4 9645 B10R0.71 C#CCCNCCCCCC 34a_100000755551_100000210314 [1,1,0,0,0,0|0,0,2]=4 9646 B10R0.71 C#CCCOCCCCCC 34a_100000210259_100000688953 [1,1,0,0,0,0|0,0,2]=4 9647 B10R0.71 C#CCCOCCCCCC 34a_100011215631_100000210314 [1,1,0,0,0,0|0,0,2]=4 9648 B10R0.71 C#CCCOCCCCCC 7a_100000210259_100000688953 [1,1,0,0,0,0|0,0,2]=4 9649 B10R0.71 C#CCCSCCCCCC 62a_100000210314_100000688953 [1,1,0,0,0,0|0,0,2]=4 9650 B10R0.71 C#CCCSCCCCCC 62a_100000688953_100000210757 [1,1,0,0,0,0|0,0,2]=4 9651 B10R0.71 C#CCNCCCCCCC 2230a_100000229938_100000038162 [1,1,0,0,0,0|0,0,2]=4 9652 B10R0.71 C#CCNCCCCCCC 34a_100000212058_100000210614 [1,1,0,0,0,0|0,0,2]=4 9653 B10R0.71 C#CCOCCCCCCC 34a_100000210247_100000210614 [1,1,0,0,0,0|0,0,2]=4 9654 B10R0.71 C#CCOCCCCCCC 34a_100000210272_100000184674 [1,1,0,0,0,0|0,0,2]=4 9655 B10R0.71 C#CCOCCCCCCC 7a_100000210272_100000038162 [1,1,0,0,0,0|0,0,2]=4 9656 B10R0.71 C#CCSCCCCCCC 62a_100000038162_100000210316 [1,1,0,0,0,0|0,0,2]=4 9657 B10R0.71 C/C=C/CCOCCCCC 34a_100016278192_100000718602 [1,1,0,0,0,0|0,0,2]=4 9658 B10R0.71 C/C=C/COCCCCCC 34a_100000210259_100102629194 [1,1,0,0,0,0|0,0,2]=4 9659 B10R0.71 C/C=C/COCCCCCC 34a_100016270725_100000210314 [1,1,0,0,0,0|0,0,2]=4 9660 B10R0.71 C/C=C/COCCCCCC 7a_100000210259_100102629194 [1,1,0,0,0,0|0,0,2]=4 9661 B10R0.71 C/C=C/CSCCCCCC 62a_100000210314_100102629194 [1,1,0,0,0,0|0,0,2]=4 9662 B10R0.71 C/C=C/CSCCCCCC 62a_100102629194_100000210757 [1,1,0,0,0,0|0,0,2]=4 9663 B10R0.71 C=CCCCCCCCNC 2230a_106832991635_100012355270 [1,1,0,0,0,0|0,0,2]=4 9664 B10R0.71 C=CCCCCCCCNC 34a_100102657272_100012355270 [1,1,0,0,0,0|0,0,2]=4 9665 B10R0.71 C=CCCCCCCCNC 7a_106832991635_100012355270 [1,1,0,0,0,0|0,0,2]=4 9666 B10R0.71 C=CCCCCCCCOC 34a_100000730831_200000210301 [1,1,0,0,0,0|0,0,2]=4 9667 B10R0.71 C=CCCCCCCCOC 34a_100138415774_100012355270 [1,1,0,0,0,0|0,0,2]=4 9668 B10R0.71 C=CCCCCCCCOC 7a_100000730831_200000210301 [1,1,0,0,0,0|0,0,2]=4 9669 B10R0.71 C=CCCCCCCCO[13CH3] 34a_100000730831_200025704644 [1,1,0,0,0,0|0,0,2]=4 9670 B10R0.71 C=CCCCCCCCO[13CH3] 7a_100000730831_200025704644 [1,1,0,0,0,0|0,0,2]=4 9671 B10R0.71 C=CCCCCCCCSC 62a_100012355270_200000210301 [1,1,0,0,0,0|0,0,2]=4 9672 B10R0.71 C=CCCCCCCCSC 62a_200000210301_100012355270 [1,1,0,0,0,0|0,0,2]=4 9673 B10R0.71 C=CCCCCCCCS[13CH3] 62a_100012355270_200025704644 [1,1,0,0,0,0|0,0,2]=4 9674 B10R0.71 C=CCCCCCCCS[13CH3] 62a_200025704644_100012355270 [1,1,0,0,0,0|0,0,2]=4 9675 B10R0.71 C=CCCCCCCNCC 2230a_100015525214_100011215473 [1,1,0,0,0,0|0,0,2]=4 9676 B10R0.71 C=CCCCCCCOCC 34a_100121572206_100011215473 [1,1,0,0,0,0|0,0,2]=4 9677 B10R0.71 C=CCCCCCCOCC 34a_200011216477_100000210202 [1,1,0,0,0,0|0,0,2]=4 9678 B10R0.71 C=CCCCCCCOCC 7a_200011216477_100000210202 [1,1,0,0,0,0|0,0,2]=4 9679 B10R0.71 C=CCCCCCCSCC 62a_100000210202_100011215473 [1,1,0,0,0,0|0,0,2]=4 9680 B10R0.71 C=CCCCCCCSCC 62a_100011215473_100000210202 [1,1,0,0,0,0|0,0,2]=4 9681 B10R0.71 C=CCCCCCOCCC 34a_100000210258_100000700193 [1,1,0,0,0,0|0,0,2]=4 9682 B10R0.71 C=CCCCCCOCCC 34a_100011216702_100000210303 [1,1,0,0,0,0|0,0,2]=4 9683 B10R0.71 C=CCCCCCOCCC 7a_100011216702_100000210303 [1,1,0,0,0,0|0,0,2]=4 9684 B10R0.71 C=CCCCCCSCCC 62a_100000210303_100000700193 [1,1,0,0,0,0|0,0,2]=4 9685 B10R0.71 C=CCCCCCSCCC 62a_100000700193_100000210303 [1,1,0,0,0,0|0,0,2]=4 9686 B10R0.71 C=CCCCCNCCCC 2230a_100000102301_100011215482 [1,1,0,0,0,0|0,0,2]=4 9687 B10R0.71 C=CCCCCNCCCC 2230a_100000703577_100000210211 [1,1,0,0,0,0|0,0,2]=4 9688 B10R0.71 C=CCCCCNCCCC 34a_100000703577_100000210210 [1,1,0,0,0,0|0,0,2]=4 9689 B10R0.71 C=CCCCCNCCCC 7a_106832991798_100011215482 [1,1,0,0,0,0|0,0,2]=4 9690 B10R0.71 C=CCCCCOCCCC 34a_100000210227_100011215482 [1,1,0,0,0,0|0,0,2]=4 9691 B10R0.71 C=CCCCCOCCCC 34a_100000766645_100000210210 [1,1,0,0,0,0|0,0,2]=4 9692 B10R0.71 C=CCCCCOCCCC 7a_100000210227_100011215482 [1,1,0,0,0,0|0,0,2]=4 9693 B10R0.71 C=CCCCCOCCCC 7a_100000766645_100000210211 [1,1,0,0,0,0|0,0,2]=4 9694 B10R0.71 C=CCCCCSCCCC 62a_100000210211_100011215482 [1,1,0,0,0,0|0,0,2]=4 9695 B10R0.71 C=CCCCCSCCCC 62a_100011215482_100000210210 [1,1,0,0,0,0|0,0,2]=4 9696 B10R0.71 C=CCCCNCCCCC 2230a_100000209983_100011713584 [1,1,0,0,0,0|0,0,2]=4 9697 B10R0.71 C=CCCCNCCCCC 2230a_100000700776_100000210326 [1,1,0,0,0,0|0,0,2]=4 9698 B10R0.71 C=CCCCNCCCCC 34a_100000700776_100000718602 [1,1,0,0,0,0|0,0,2]=4 9699 B10R0.71 C=CCCCOCCCCC 34a_100000210253_100000757094 [1,1,0,0,0,0|0,0,2]=4 9700 B10R0.71 C=CCCCOCCCCC 34a_100000758997_100000718602 [1,1,0,0,0,0|0,0,2]=4 9701 B10R0.71 C=CCCCOCCCCC 7a_100000210253_100000757094 [1,1,0,0,0,0|0,0,2]=4 9702 B10R0.71 C=CCCCOCCCCC 7a_100000758997_100000210326 [1,1,0,0,0,0|0,0,2]=4 9703 B10R0.71 C=CCCCSCCCCC 62a_100000210326_100000757094 [1,1,0,0,0,0|0,0,2]=4 9704 B10R0.71 C=CCCCSCCCCC 62a_100011713584_100000210326 [1,1,0,0,0,0|0,0,2]=4 9705 B10R0.71 C=CCCNCCCCCC 2230a_100000210581_100000754431 [1,1,0,0,0,0|0,0,2]=4 9706 B10R0.71 C=CCCNCCCCCC 2230a_100015191253_100000210314 [1,1,0,0,0,0|0,0,2]=4 9707 B10R0.71 C=CCCOCCCCCC 34a_100000210259_100000754431 [1,1,0,0,0,0|0,0,2]=4 9708 B10R0.71 C=CCCOCCCCCC 34a_100011205117_100000210314 [1,1,0,0,0,0|0,0,2]=4 9709 B10R0.71 C=CCCOCCCCCC 7a_100000210259_100000754431 [1,1,0,0,0,0|0,0,2]=4 9710 B10R0.71 C=CCCSCCCCCC 62a_100000210314_100000754431 [1,1,0,0,0,0|0,0,2]=4 9711 B10R0.71 C=CCCSCCCCCC 62a_100000754431_100000210757 [1,1,0,0,0,0|0,0,2]=4 9712 B10R0.71 C=CCNCCCCCCC 2230a_100000229938_100000210623 [1,1,0,0,0,0|0,0,2]=4 9713 B10R0.71 C=CCNCCCCCCC 2230a_100020586998_100000210681 [1,1,0,0,0,0|0,0,2]=4 9714 B10R0.71 C=CCOCCCCCCC 34a_100000210272_100015514636 [1,1,0,0,0,0|0,0,2]=4 9715 B10R0.71 C=CCOCCCCCCC 34a_200000210373_100000210614 [1,1,0,0,0,0|0,0,2]=4 9716 B10R0.71 C=CCOCCCCCCC 7a_100000210272_100015514636 [1,1,0,0,0,0|0,0,2]=4 9717 B10R0.71 C=CCSCCCCCCC 62a_100000210614_100000210623 [1,1,0,0,0,0|0,0,2]=4 9718 B10R0.71 C=CCSCCCCCCC 62a_100000210623_100000210316 [1,1,0,0,0,0|0,0,2]=4 9719 B10R0.71 CC#CCCOCCCCC 34a_100000750427_100000718602 [1,1,0,0,0,0|0,0,2]=4 9720 B10R0.71 CC#CCNCCCCCC 2230a_100000210581_100000748600 [1,1,0,0,0,0|0,0,2]=4 9721 B10R0.71 CC#CCNCCCCCC 2230a_100000685387_100000210314 [1,1,0,0,0,0|0,0,2]=4 9722 B10R0.71 CC#CCNCCCCCC 34a_100000685387_100000210314 [1,1,0,0,0,0|0,0,2]=4 9723 B10R0.71 CC#CCOCCCCCC 34a_100000210259_100000748600 [1,1,0,0,0,0|0,0,2]=4 9724 B10R0.71 CC#CCOCCCCCC 34a_100000761923_100000210314 [1,1,0,0,0,0|0,0,2]=4 9725 B10R0.71 CC#CCOCCCCCC 7a_100000210259_100000748600 [1,1,0,0,0,0|0,0,2]=4 9726 B10R0.71 CC#CCSCCCCCC 62a_100000210314_100000748600 [1,1,0,0,0,0|0,0,2]=4 9727 B10R0.71 CC#CCSCCCCCC 62a_100000748600_100000210757 [1,1,0,0,0,0|0,0,2]=4 9728 B10R0.71 CC/C=C/CCCOCCC 34a_100016287902_100000210303 [1,1,0,0,0,0|0,0,2]=4 9729 B10R0.71 CC/C=C/CCCOCCC 7a_100016287902_100000210303 [1,1,0,0,0,0|0,0,2]=4 9730 B10R0.71 CC/C=C\CCCCCNC 269862a_106832991636_100016288537 [1,1,0,0,0,0|0,0,2]=4 9731 B10R0.71 CC/C=C\CCCCCOC 34a_100016268722_200000210301 [1,1,0,0,0,0|0,0,2]=4 9732 B10R0.71 CC/C=C\CCCCCOC 7a_100016268722_200000210301 [1,1,0,0,0,0|0,0,2]=4 9733 B10R0.71 CC/C=C\CCCCCO[13CH3] 34a_100016268722_200025704644 [1,1,0,0,0,0|0,0,2]=4 9734 B10R0.71 CC/C=C\CCCCCO[13CH3] 7a_100016268722_200025704644 [1,1,0,0,0,0|0,0,2]=4 9735 B10R0.71 CC/C=C\CCCCOCC 34a_100016287862_100000210202 [1,1,0,0,0,0|0,0,2]=4 9736 B10R0.71 CC/C=C\CCCCOCC 7a_100016287862_100000210202 [1,1,0,0,0,0|0,0,2]=4 9737 B10R0.71 CC/C=C\CCNCCCC 2230a_100000102301_100015370543 [1,1,0,0,0,0|0,0,2]=4 9738 B10R0.71 CC/C=C\CCNCCCC 7a_106832991798_100015370543 [1,1,0,0,0,0|0,0,2]=4 9739 B10R0.71 CC/C=C\CCOCCCC 34a_100000210227_100015370543 [1,1,0,0,0,0|0,0,2]=4 9740 B10R0.71 CC/C=C\CCOCCCC 34a_100016288707_100000210210 [1,1,0,0,0,0|0,0,2]=4 9741 B10R0.71 CC/C=C\CCOCCCC 7a_100000210227_100015370543 [1,1,0,0,0,0|0,0,2]=4 9742 B10R0.71 CC/C=C\CCOCCCC 7a_100016288707_100000210211 [1,1,0,0,0,0|0,0,2]=4 9743 B10R0.71 CC/C=C\CCSCCCC 62a_100000210211_100015370543 [1,1,0,0,0,0|0,0,2]=4 9744 B10R0.71 CC/C=C\CCSCCCC 62a_100015370543_100000210210 [1,1,0,0,0,0|0,0,2]=4 9745 B10R0.71 CC/C=C\CNCCCCC 2230a_100000209983_100103147603 [1,1,0,0,0,0|0,0,2]=4 9746 B10R0.71 CC/C=C\COCCCCC 34a_100000210253_100103147603 [1,1,0,0,0,0|0,0,2]=4 9747 B10R0.71 CC/C=C\COCCCCC 34a_100016268518_100000718602 [1,1,0,0,0,0|0,0,2]=4 9748 B10R0.71 CC/C=C\COCCCCC 7a_100000210253_100103147603 [1,1,0,0,0,0|0,0,2]=4 9749 B10R0.71 CC/C=C\CSCCCCC 62a_100000210326_100103147603 [1,1,0,0,0,0|0,0,2]=4 9750 B10R0.71 CC/C=C\CSCCCCC 62a_100103147603_100000210326 [1,1,0,0,0,0|0,0,2]=4 9751 B10R0.71 CC=CCCCOCCCC 34a_100020645299_100000210210 [1,1,0,0,0,0|0,0,2]=4 9752 B10R0.71 CC=CCNCCCCCC 2230a_100000210581_100000070051 [1,1,0,0,0,0|0,0,2]=4 9753 B10R0.71 CC=CCOCCCCCC 34a_100000210259_100000070051 [1,1,0,0,0,0|0,0,2]=4 9754 B10R0.71 CC=CCOCCCCCC 7a_100000210259_100000070051 [1,1,0,0,0,0|0,0,2]=4 9755 B10R0.71 CC=CCSCCCCCC 62a_100000070051_100000210757 [1,1,0,0,0,0|0,0,2]=4 9756 B10R0.71 CC=CCSCCCCCC 62a_100000210314_100000070051 [1,1,0,0,0,0|0,0,2]=4 9757 B10R0.71 CCC#CCCOCCCC 34a_100000036655_100000210210 [1,1,0,0,0,0|0,0,2]=4 9758 B10R0.71 CCC#CCCOCCCC 7a_100000036655_100000210211 [1,1,0,0,0,0|0,0,2]=4 9759 B10R0.71 CCC#CCNCCCCC 2230a_100000209983_100009813939 [1,1,0,0,0,0|0,0,2]=4 9760 B10R0.71 CCC#CCOCCCCC 34a_100000032950_100000718602 [1,1,0,0,0,0|0,0,2]=4 9761 B10R0.71 CCC#CCOCCCCC 34a_100000210253_100009813939 [1,1,0,0,0,0|0,0,2]=4 9762 B10R0.71 CCC#CCOCCCCC 7a_100000210253_100009813939 [1,1,0,0,0,0|0,0,2]=4 9763 B10R0.71 CCC#CCSCCCCC 62a_100000210326_100009813939 [1,1,0,0,0,0|0,0,2]=4 9764 B10R0.71 CCC#CCSCCCCC 62a_100009813939_100000210326 [1,1,0,0,0,0|0,0,2]=4 9765 B10R0.71 CCC/C=C/COCCCC 34a_100016278788_100000210210 [1,1,0,0,0,0|0,0,2]=4 9766 B10R0.71 CCC/C=C/COCCCC 7a_100016278788_100000210211 [1,1,0,0,0,0|0,0,2]=4 9767 B10R0.71 CCCC#CCCOCCC 34a_100000042726_100000210303 [1,1,0,0,0,0|0,0,2]=4 9768 B10R0.71 CCCC#CCCOCCC 7a_100000042726_100000210303 [1,1,0,0,0,0|0,0,2]=4 9769 B10R0.71 CCCC#CCOCCCC 34a_100000034806_100000210210 [1,1,0,0,0,0|0,0,2]=4 9770 B10R0.71 CCCC#CCOCCCC 7a_100000034806_100000210211 [1,1,0,0,0,0|0,0,2]=4 9771 B10R0.71 CCCC/C=C/COCCC 34a_200016272032_100000210303 [1,1,0,0,0,0|0,0,2]=4 9772 B10R0.71 CCCC/C=C/COCCC 7a_200016272032_100000210303 [1,1,0,0,0,0|0,0,2]=4 9773 B10R0.71 CCCC/C=C\CCOCC 34a_200016286491_100000210202 [1,1,0,0,0,0|0,0,2]=4 9774 B10R0.71 CCCC/C=C\CCOCC 7a_200016286491_100000210202 [1,1,0,0,0,0|0,0,2]=4 9775 B10R0.71 CCCC=NNCCCCC 4a_100000694160_100000185831 [1,1,0,0,0,0|1,0,1]=4 9776 B10R0.71 CCCCC#CCCCNC 2230a_106832991635_200000047210 [1,1,0,0,0,0|0,0,2]=4 9777 B10R0.71 CCCCC#CCCCNC 34a_100102657272_200000047210 [1,1,0,0,0,0|0,0,2]=4 9778 B10R0.71 CCCCC#CCCCNC 7a_106832991635_200000047210 [1,1,0,0,0,0|0,0,2]=4 9779 B10R0.71 CCCCC#CCCCOC 34a_100138415774_200000047210 [1,1,0,0,0,0|0,0,2]=4 9780 B10R0.71 CCCCC#CCCCSC 62a_200000047210_200000210301 [1,1,0,0,0,0|0,0,2]=4 9781 B10R0.71 CCCCC#CCCCSC 62a_200000210301_200000047210 [1,1,0,0,0,0|0,0,2]=4 9782 B10R0.71 CCCCC#CCCCS[13CH3] 62a_200000047210_200025704644 [1,1,0,0,0,0|0,0,2]=4 9783 B10R0.71 CCCCC#CCCCS[13CH3] 62a_200025704644_200000047210 [1,1,0,0,0,0|0,0,2]=4 9784 B10R0.71 CCCCC#CCCOCC 34a_100000037610_100000210202 [1,1,0,0,0,0|0,0,2]=4 9785 B10R0.71 CCCCC#CCCOCC 7a_100000037610_100000210202 [1,1,0,0,0,0|0,0,2]=4 9786 B10R0.71 CCCCC#CCOCCC 34a_200000034558_100000210303 [1,1,0,0,0,0|0,0,2]=4 9787 B10R0.71 CCCCC#CCOCCC 7a_200000034558_100000210303 [1,1,0,0,0,0|0,0,2]=4 9788 B10R0.71 CCCCC/C=C/COCC 34a_100016258190_100000210202 [1,1,0,0,0,0|0,0,2]=4 9789 B10R0.71 CCCCC/C=C/COCC 7a_100016258190_100000210202 [1,1,0,0,0,0|0,0,2]=4 9790 B10R0.71 CCCCC/C=C\CCOC 34a_100016277358_200000210301 [1,1,0,0,0,0|0,0,2]=4 9791 B10R0.71 CCCCC/C=C\CCOC 7a_100016277358_200000210301 [1,1,0,0,0,0|0,0,2]=4 9792 B10R0.71 CCCCC/C=C\CCO[13CH3] 34a_100016277358_200025704644 [1,1,0,0,0,0|0,0,2]=4 9793 B10R0.71 CCCCC/C=C\CCO[13CH3] 7a_100016277358_200025704644 [1,1,0,0,0,0|0,0,2]=4 9794 B10R0.71 CCCCC=NNCCCC 4a_100025702795_100000210104 [1,1,0,0,0,0|1,0,1]=4 9795 B10R0.71 CCCCCC#CCCOC 34a_200000042877_200000210301 [1,1,0,0,0,0|0,0,2]=4 9796 B10R0.71 CCCCCC#CCCOC 7a_200000042877_200000210301 [1,1,0,0,0,0|0,0,2]=4 9797 B10R0.71 CCCCCC#CCCO[13CH3] 34a_200000042877_200025704644 [1,1,0,0,0,0|0,0,2]=4 9798 B10R0.71 CCCCCC#CCCO[13CH3] 7a_200000042877_200025704644 [1,1,0,0,0,0|0,0,2]=4 9799 B10R0.71 CCCCCC#CCNCC 2230a_100015525214_100009816472 [1,1,0,0,0,0|0,0,2]=4 9800 B10R0.71 CCCCCC#CCOCC 34a_100121572206_100009816472 [1,1,0,0,0,0|0,0,2]=4 9801 B10R0.71 CCCCCC#CCOCC 34a_200000033628_100000210202 [1,1,0,0,0,0|0,0,2]=4 9802 B10R0.71 CCCCCC#CCOCC 7a_200000033628_100000210202 [1,1,0,0,0,0|0,0,2]=4 9803 B10R0.71 CCCCCC#CCSCC 62a_100000210202_100009816472 [1,1,0,0,0,0|0,0,2]=4 9804 B10R0.71 CCCCCC#CCSCC 62a_100009816472_100000210202 [1,1,0,0,0,0|0,0,2]=4 9805 B10R0.71 CCCCCC/C=C/COC 34a_200016276170_200000210301 [1,1,0,0,0,0|0,0,2]=4 9806 B10R0.71 CCCCCC/C=C/COC 7a_200016276170_200000210301 [1,1,0,0,0,0|0,0,2]=4 9807 B10R0.71 CCCCCC/C=C/CO[13CH3] 34a_200016276170_200025704644 [1,1,0,0,0,0|0,0,2]=4 9808 B10R0.71 CCCCCC/C=C/CO[13CH3] 7a_200016276170_200025704644 [1,1,0,0,0,0|0,0,2]=4 9809 B10R0.71 CCCCCC=NNCCC 4a_100000740057_100000737632 [1,1,0,0,0,0|1,0,1]=4 9810 B10R0.71 CCCCCCC#CCOC 34a_200000037284_200000210301 [1,1,0,0,0,0|0,0,2]=4 9811 B10R0.71 CCCCCCC#CCOC 7a_200000037284_200000210301 [1,1,0,0,0,0|0,0,2]=4 9812 B10R0.71 CCCCCCC#CCO[13CH3] 34a_200000037284_200025704644 [1,1,0,0,0,0|0,0,2]=4 9813 B10R0.71 CCCCCCC#CCO[13CH3] 7a_200000037284_200025704644 [1,1,0,0,0,0|0,0,2]=4 9814 B10R0.71 CCCCCCC=NNCC 4a_100000756455_100000234349 [1,1,0,0,0,0|1,0,1]=4 9815 B10R0.71 CCCCCCCCCNC 2230a_100000212291_200000210301 [1,1,0,0,0,0|0,0,0]=2 9816 B10R0.71 CCCCCCCCCNC 2230a_106832991635_100011214924 [1,1,0,0,0,0|0,0,0]=2 9817 B10R0.71 CCCCCCCCCNC 34a_100000212291_200000210301 [1,1,0,0,0,0|0,0,0]=2 9818 B10R0.71 CCCCCCCCCNC 34a_100102657272_100011214924 [1,1,0,0,0,0|0,0,0]=2 9819 B10R0.71 CCCCCCCCCNC 7a_106832991635_100000210328 [1,1,0,0,0,0|0,0,0]=2 9820 B10R0.71 CCCCCCCCCN[13CH3] 2230a_100000212291_200025704644 [1,1,0,0,0,0|0,0,0]=2 9821 B10R0.71 CCCCCCCCCN[13CH3] 34a_100000212291_200025704644 [1,1,0,0,0,0|0,0,0]=2 9822 B10R0.71 CCCCCCCCCOC 34a_100000210712_200000210301 [1,1,0,0,0,0|0,0,0]=2 9823 B10R0.71 CCCCCCCCCOC 34a_100138415774_100011214924 [1,1,0,0,0,0|0,0,0]=2 9824 B10R0.71 CCCCCCCCCOC 7a_100000210712_200000210301 [1,1,0,0,0,0|0,0,0]=2 9825 B10R0.71 CCCCCCCCCO[13CH3] 34a_100000210712_200025704644 [1,1,0,0,0,0|0,0,0]=2 9826 B10R0.71 CCCCCCCCCO[13CH3] 7a_100000210712_200025704644 [1,1,0,0,0,0|0,0,0]=2 9827 B10R0.71 CCCCCCCCCSC 62a_200000210301_100000210670 [1,1,0,0,0,0|0,0,0]=2 9828 B10R0.71 CCCCCCCCCS[13CH3] 62a_200025704644_100000210670 [1,1,0,0,0,0|0,0,0]=2 9829 B10R0.71 CCCCCCCCNCC 2230a_100000229939_100000210202 [1,1,0,0,0,0|0,0,0]=2 9830 B10R0.71 CCCCCCCCNCC 2230a_100015525214_100000210759 [1,1,0,0,0,0|0,0,0]=2 9831 B10R0.71 CCCCCCCCNCC 34a_100000229939_100000210202 [1,1,0,0,0,0|0,0,0]=2 9832 B10R0.71 CCCCCCCCNCF 34a_100000229939_100015361967 [1,1,0,0,0,0|1,0,0]=3 9833 B10R0.71 CCCCCCCCOCC 34a_100000210232_100000210202 [1,1,0,0,0,0|0,0,0]=2 9834 B10R0.71 CCCCCCCCOCC 34a_100121572206_100000210759 [1,1,0,0,0,0|0,0,0]=2 9835 B10R0.71 CCCCCCCCOCC 7a_100000210232_100000210202 [1,1,0,0,0,0|0,0,0]=2 9836 B10R0.71 CCCCCCCCOCF 34a_100000210232_100015361967 [1,1,0,0,0,0|1,0,0]=3 9837 B10R0.71 CCCCCCCCOCF 7a_100000210232_100015361967 [1,1,0,0,0,0|1,0,0]=3 9838 B10R0.71 CCCCCCCCSCC 62a_100000210202_100000210317 [1,1,0,0,0,0|0,0,0]=2 9839 B10R0.71 CCCCCCCCSCC 62a_100000210759_100000210202 [1,1,0,0,0,0|0,0,0]=2 9840 B10R0.71 CCCCCCCCSCF 62a_100000210759_100015361967 [1,1,0,0,0,0|1,0,0]=3 9841 B10R0.71 CCCCCCCCSCF 62a_100015361967_100000210317 [1,1,0,0,0,0|1,0,0]=3 9842 B10R0.71 CCCCCCCNCC#N 2230a_100000229938_100011215382 [1,1,0,0,0,0|1,0,1]=4 9843 B10R0.71 CCCCCCCNCC=O 2230a_100000229938_200015260668 [1,1,0,0,0,0|1,0,1]=4 9844 B10R0.71 CCCCCCCNCCC 2230a_100000229938_100000210303 [1,1,0,0,0,0|0,0,0]=2 9845 B10R0.71 CCCCCCCNCCF 2230a_100000229938_100011217306 [1,1,0,0,0,0|1,0,0]=3 9846 B10R0.71 CCCCCCCNCCF 34a_100000724931_100000210614 [1,1,0,0,0,0|1,0,0]=3 9847 B10R0.71 CCCCCCCNCCO 2230a_100000229938_100000211926 [1,1,0,0,0,0|1,0,0]=3 9848 B10R0.71 CCCCCCCNCCO 2230a_100016997473_100000210681 [1,1,0,0,0,0|1,0,0]=3 9849 B10R0.71 CCCCCCCNCCO 34a_100016990907_100000210614 [1,1,0,0,0,0|1,0,0]=3 9850 B10R0.71 CCCCCCCNCOC 2230a_100000229938_100000766300 [1,1,0,0,0,0|1,0,0]=3 9851 B10R0.71 CCCCCCCNCSC 2230a_100000229938_100011218213 [1,1,0,0,0,0|1,0,0]=3 9852 B10R0.71 CCCCCCCOCC#N 7a_100000210272_100011215382 [1,1,0,0,0,0|1,0,1]=4 9853 B10R0.71 CCCCCCCOCC=O 34a_100000210272_200009817547 [1,1,0,0,0,0|1,0,1]=4 9854 B10R0.71 CCCCCCCOCC=O 7a_100000210272_200015260668 [1,1,0,0,0,0|1,0,1]=4 9855 B10R0.71 CCCCCCCOCCBr 34a_100000211926_100000210614 [1,1,0,0,0,0|1,0,0]=3 9856 B10R0.71 CCCCCCCOCCC 34a_100000210258_100000210614 [1,1,0,0,0,0|0,0,0]=2 9857 B10R0.71 CCCCCCCOCCC 34a_100000210272_100000210303 [1,1,0,0,0,0|0,0,0]=2 9858 B10R0.71 CCCCCCCOCCC 7a_100000210272_100000210303 [1,1,0,0,0,0|0,0,0]=2 9859 B10R0.71 CCCCCCCOCCF 34a_100000210272_100011217306 [1,1,0,0,0,0|1,0,0]=3 9860 B10R0.71 CCCCCCCOCCF 7a_100000210272_100011217306 [1,1,0,0,0,0|1,0,0]=3 9861 B10R0.71 CCCCCCCOCCN 34a_100000210304_100000210614 [1,1,0,0,0,0|1,0,0]=3 9862 B10R0.71 CCCCCCCOCCO 34a_100000210272_100000211926 [1,1,0,0,0,0|1,0,0]=3 9863 B10R0.71 CCCCCCCOCCO 7a_100000210272_100000211926 [1,1,0,0,0,0|1,0,0]=3 9864 B10R0.71 CCCCCCCOCSC 34a_100000210272_100011218213 [1,1,0,0,0,0|1,0,0]=3 9865 B10R0.71 CCCCCCCSCC#N 62a_100000210614_100011215382 [1,1,0,0,0,0|1,0,1]=4 9866 B10R0.71 CCCCCCCSCC#N 62a_100011215382_100000210316 [1,1,0,0,0,0|1,0,1]=4 9867 B10R0.71 CCCCCCCSCC=O 62a_100000210614_200015260668 [1,1,0,0,0,0|1,0,1]=4 9868 B10R0.71 CCCCCCCSCC=O 62a_200015260668_100000210316 [1,1,0,0,0,0|1,0,1]=4 9869 B10R0.71 CCCCCCCSCCC 62a_100000210303_100000210316 [1,1,0,0,0,0|0,0,0]=2 9870 B10R0.71 CCCCCCCSCCC 62a_100000210614_100000210303 [1,1,0,0,0,0|0,0,0]=2 9871 B10R0.71 CCCCCCCSCCF 62a_100000210614_100011217306 [1,1,0,0,0,0|1,0,0]=3 9872 B10R0.71 CCCCCCCSCCF 62a_100011217306_100000210316 [1,1,0,0,0,0|1,0,0]=3 9873 B10R0.71 CCCCCCCSCCO 62a_100000210614_100000211926 [1,1,0,0,0,0|1,0,0]=3 9874 B10R0.71 CCCCCCCSCCO 62a_100000211926_100000210316 [1,1,0,0,0,0|1,0,0]=3 9875 B10R0.71 CCCCCCCSCOC 62a_100000210614_100000766300 [1,1,0,0,0,0|1,0,0]=3 9876 B10R0.71 CCCCCCCSCOC 62a_100000766300_100000210316 [1,1,0,0,0,0|1,0,0]=3 9877 B10R0.71 CCCCCCCSCSC 62a_100000210614_100011218213 [1,1,0,0,0,0|1,0,0]=3 9878 B10R0.71 CCCCCCCSCSC 62a_100011218213_100000210316 [1,1,0,0,0,0|1,0,0]=3 9879 B10R0.71 CCCCCCNCCC#N 2230a_100000210581_100011215226 [1,1,0,0,0,0|1,0,1]=4 9880 B10R0.71 CCCCCCNCCCC 2230a_100000102301_100000210314 [1,1,0,0,0,0|0,0,0]=2 9881 B10R0.71 CCCCCCNCCCC 2230a_100000210581_100000210211 [1,1,0,0,0,0|0,0,0]=2 9882 B10R0.71 CCCCCCNCCCC 7a_106832991798_100000210314 [1,1,0,0,0,0|0,0,0]=2 9883 B10R0.71 CCCCCCNCCCF 2230a_100000210581_100011934791 [1,1,0,0,0,0|1,0,0]=3 9884 B10R0.71 CCCCCCNCCCF 2230a_100015189416_100000210314 [1,1,0,0,0,0|1,0,0]=3 9885 B10R0.71 CCCCCCNCCCF 34a_100015189416_100000210314 [1,1,0,0,0,0|1,0,0]=3 9886 B10R0.71 CCCCCCNCCCO 2230a_100000210581_100000230001 [1,1,0,0,0,0|1,0,0]=3 9887 B10R0.71 CCCCCCNCCOC 2230a_100000209980_100000210314 [1,1,0,0,0,0|1,0,0]=3 9888 B10R0.71 CCCCCCNCCOC 2230a_100000210581_100011201679 [1,1,0,0,0,0|1,0,0]=3 9889 B10R0.71 CCCCCCNCCSC 2230a_100000210581_100000751147 [1,1,0,0,0,0|1,0,0]=3 9890 B10R0.71 CCCCCCNCCSC 2230a_100020590264_100000210314 [1,1,0,0,0,0|1,0,0]=3 9891 B10R0.71 CCCCCCOCCC#N 7a_100000210259_100000184422 [1,1,0,0,0,0|1,0,1]=4 9892 B10R0.71 CCCCCCOCCCBr 34a_100011217188_100000210314 [1,1,0,0,0,0|1,0,0]=3 9893 B10R0.71 CCCCCCOCCCC 34a_100000210227_100000210314 [1,1,0,0,0,0|0,0,0]=2 9894 B10R0.71 CCCCCCOCCCC 34a_100000210259_100000210210 [1,1,0,0,0,0|0,0,0]=2 9895 B10R0.71 CCCCCCOCCCC 7a_100000210227_100000210314 [1,1,0,0,0,0|0,0,0]=2 9896 B10R0.71 CCCCCCOCCCC 7a_100000210259_100000210211 [1,1,0,0,0,0|0,0,0]=2 9897 B10R0.71 CCCCCCOCCCCl 34a_100000230001_100000210314 [1,1,0,0,0,0|1,0,0]=3 9898 B10R0.71 CCCCCCOCCCF 34a_100000210259_100011934791 [1,1,0,0,0,0|1,0,0]=3 9899 B10R0.71 CCCCCCOCCCF 34a_100000759539_100000210314 [1,1,0,0,0,0|1,0,0]=3 9900 B10R0.71 CCCCCCOCCCF 7a_100000210259_100011934791 [1,1,0,0,0,0|1,0,0]=3 9901 B10R0.71 CCCCCCOCCCN 34a_100000182051_100000210314 [1,1,0,0,0,0|1,0,0]=3 9902 B10R0.71 CCCCCCOCCCO 34a_100000210259_100000230001 [1,1,0,0,0,0|1,0,0]=3 9903 B10R0.71 CCCCCCOCCCO 7a_100000210259_100011215043 [1,1,0,0,0,0|1,0,0]=3 9904 B10R0.71 CCCCCCOCCOC 34a_100000210237_100000210314 [1,1,0,0,0,0|1,0,0]=3 9905 B10R0.71 CCCCCCOCCOC 34a_100000210259_100011201679 [1,1,0,0,0,0|1,0,0]=3 9906 B10R0.71 CCCCCCOCCOC 34a_100000691444_200000210301 [1,1,0,0,0,0|1,0,0]=3 9907 B10R0.71 CCCCCCOCCOC 7a_100000210259_100000233755 [1,1,0,0,0,0|1,0,0]=3 9908 B10R0.71 CCCCCCOCCOC 7a_100000691444_200000210301 [1,1,0,0,0,0|1,0,0]=3 9909 B10R0.71 CCCCCCOCCON 34a_100000700252_100000210314 [1,1,0,0,0,0|2,0,0]=4 9910 B10R0.71 CCCCCCOCCO[13CH3] 34a_100000691444_200025704644 [1,1,0,0,0,0|1,0,0]=3 9911 B10R0.71 CCCCCCOCCO[13CH3] 7a_100000691444_200025704644 [1,1,0,0,0,0|1,0,0]=3 9912 B10R0.71 CCCCCCOCCSC 34a_100000210259_100000212216 [1,1,0,0,0,0|1,0,0]=3 9913 B10R0.71 CCCCCCOCCSC 34a_100000230434_100000210314 [1,1,0,0,0,0|1,0,0]=3 9914 B10R0.71 CCCCCCOCCSC 7a_100000210259_100000212216 [1,1,0,0,0,0|1,0,0]=3 9915 B10R0.71 CCCCCCOCCSC 7a_100000230434_100000210314 [1,1,0,0,0,0|1,0,0]=3 9916 B10R0.71 CCCCCCSCCC#N 62a_100000210314_100011215226 [1,1,0,0,0,0|1,0,1]=4 9917 B10R0.71 CCCCCCSCCC#N 62a_100011215226_100000210757 [1,1,0,0,0,0|1,0,1]=4 9918 B10R0.71 CCCCCCSCCCC 62a_100000210211_100000210757 [1,1,0,0,0,0|0,0,0]=2 9919 B10R0.71 CCCCCCSCCCC 62a_100000210314_100000210210 [1,1,0,0,0,0|0,0,0]=2 9920 B10R0.71 CCCCCCSCCCF 62a_100000210314_100011934791 [1,1,0,0,0,0|1,0,0]=3 9921 B10R0.71 CCCCCCSCCCF 62a_100011934791_100000210757 [1,1,0,0,0,0|1,0,0]=3 9922 B10R0.71 CCCCCCSCCCO 62a_100000210314_100011215043 [1,1,0,0,0,0|1,0,0]=3 9923 B10R0.71 CCCCCCSCCCO 62a_100011215043_100000210757 [1,1,0,0,0,0|1,0,0]=3 9924 B10R0.71 CCCCCCSCCOC 62a_100000210314_100000233755 [1,1,0,0,0,0|1,0,0]=3 9925 B10R0.71 CCCCCCSCCOC 62a_100000233755_100000210757 [1,1,0,0,0,0|1,0,0]=3 9926 B10R0.71 CCCCCCSCCSC 62a_100000210314_100000751147 [1,1,0,0,0,0|1,0,0]=3 9927 B10R0.71 CCCCCCSCCSC 62a_100000212216_100000210757 [1,1,0,0,0,0|1,0,0]=3 9928 B10R0.71 CCCCCCSCOCC 62a_100000210314_100000739092 [1,1,0,0,0,0|1,0,0]=3 9929 B10R0.71 CCCCCCSCOCC 62a_100000739092_100000210757 [1,1,0,0,0,0|1,0,0]=3 9930 B10R0.71 CCCCCNCCCC#N 2230a_100000209983_100000687738 [1,1,0,0,0,0|1,0,1]=4 9931 B10R0.71 CCCCCNCCCC=O 2230a_100000209983_200011292268 [1,1,0,0,0,0|1,0,1]=4 9932 B10R0.71 CCCCCNCCCCC 2230a_100000209983_100000210326 [1,1,0,0,0,0|0,0,0]=2 9933 B10R0.71 CCCCCNCCCCF 2230a_100000209983_100000729493 [1,1,0,0,0,0|1,0,0]=3 9934 B10R0.71 CCCCCNCCCCO 2230a_100000209983_100000210776 [1,1,0,0,0,0|1,0,0]=3 9935 B10R0.71 CCCCCNCCCCO 2230a_100000750430_100000210326 [1,1,0,0,0,0|1,0,0]=3 9936 B10R0.71 CCCCCNCCCCO 34a_100000750430_100000718602 [1,1,0,0,0,0|1,0,0]=3 9937 B10R0.71 CCCCCNCCCOC 2230a_100000209983_100000740836 [1,1,0,0,0,0|1,0,0]=3 9938 B10R0.71 CCCCCNCCCOC 34a_100150723488_100000718602 [1,1,0,0,0,0|1,0,0]=3 9939 B10R0.71 CCCCCNCCCSC 2230a_100000749238_100000210326 [1,1,0,0,0,0|1,0,0]=3 9940 B10R0.71 CCCCCNCCOCC 2230a_100000209983_100011215890 [1,1,0,0,0,0|1,0,0]=3 9941 B10R0.71 CCCCCNCCOCC 2230a_102516460346_100000210326 [1,1,0,0,0,0|1,0,0]=3 9942 B10R0.71 CCCCCNCCOCC 34a_100000224656_100000210202 [1,1,0,0,0,0|1,0,0]=3 9943 B10R0.71 CCCCCNCCOCC 34a_102516460346_100000718602 [1,1,0,0,0,0|1,0,0]=3 9944 B10R0.71 CCCCCNCCOCF 34a_100000224656_100015361967 [1,1,0,0,0,0|2,0,0]=4 9945 B10R0.71 CCCCCNCCSCC 2230a_100000106463_100000210326 [1,1,0,0,0,0|1,0,0]=3 9946 B10R0.71 CCCCCNCCSCC 2230a_100000209983_100000757381 [1,1,0,0,0,0|1,0,0]=3 9947 B10R0.71 CCCCCOCCCC#N 7a_100000210253_100000687738 [1,1,0,0,0,0|1,0,1]=4 9948 B10R0.71 CCCCCOCCCC=O 7a_100000210253_200011292268 [1,1,0,0,0,0|1,0,1]=4 9949 B10R0.71 CCCCCOCCCCBr 34a_100011216708_100000718602 [1,1,0,0,0,0|1,0,0]=3 9950 B10R0.71 CCCCCOCCCCC 34a_100000210253_100000718602 [1,1,0,0,0,0|0,0,0]=2 9951 B10R0.71 CCCCCOCCCCC 7a_100000210253_100000210326 [1,1,0,0,0,0|0,0,0]=2 9952 B10R0.71 CCCCCOCCCCCl 34a_100000210776_100000718602 [1,1,0,0,0,0|1,0,0]=3 9953 B10R0.71 CCCCCOCCCCCl 7a_100000210776_100000210326 [1,1,0,0,0,0|1,0,0]=3 9954 B10R0.71 CCCCCOCCCCF 34a_100000210253_100000729493 [1,1,0,0,0,0|1,0,0]=3 9955 B10R0.71 CCCCCOCCCCF 34a_100011995726_100000718602 [1,1,0,0,0,0|1,0,0]=3 9956 B10R0.71 CCCCCOCCCCF 7a_100000210253_100000729493 [1,1,0,0,0,0|1,0,0]=3 9957 B10R0.71 CCCCCOCCCCF 7a_100011995726_100000210326 [1,1,0,0,0,0|1,0,0]=3 9958 B10R0.71 CCCCCOCCCCI 34a_200012148704_100000718602 [1,1,0,0,0,0|1,0,0]=3 9959 B10R0.71 CCCCCOCCCCN 34a_100000750430_100000718602 [1,1,0,0,0,0|1,0,0]=3 9960 B10R0.71 CCCCCOCCCCO 34a_100000210253_100011216708 [1,1,0,0,0,0|1,0,0]=3 9961 B10R0.71 CCCCCOCCCCO 7a_100000210253_100000210776 [1,1,0,0,0,0|1,0,0]=3 9962 B10R0.71 CCCCCOCCCNC 34a_100000213112_100000718602 [1,1,0,0,0,0|1,0,0]=3 9963 B10R0.71 CCCCCOCCCOC 34a_100000210253_100000740836 [1,1,0,0,0,0|1,0,0]=3 9964 B10R0.71 CCCCCOCCCOC 34a_100000740835_100000718602 [1,1,0,0,0,0|1,0,0]=3 9965 B10R0.71 CCCCCOCCCOC 7a_100000210253_100000740836 [1,1,0,0,0,0|1,0,0]=3 9966 B10R0.71 CCCCCOCCCSC 34a_100000690336_100000718602 [1,1,0,0,0,0|1,0,0]=3 9967 B10R0.71 CCCCCOCCCSC 7a_100000690336_100000210326 [1,1,0,0,0,0|1,0,0]=3 9968 B10R0.71 CCCCCOCCOCC 34a_100000210136_100000718602 [1,1,0,0,0,0|1,0,0]=3 9969 B10R0.71 CCCCCOCCOCC 34a_100000210253_100000210147 [1,1,0,0,0,0|1,0,0]=3 9970 B10R0.71 CCCCCOCCOCC 34a_100011215259_100000210202 [1,1,0,0,0,0|1,0,0]=3 9971 B10R0.71 CCCCCOCCOCC 7a_100000210136_100000210326 [1,1,0,0,0,0|1,0,0]=3 9972 B10R0.71 CCCCCOCCOCC 7a_100000210253_100011215890 [1,1,0,0,0,0|1,0,0]=3 9973 B10R0.71 CCCCCOCCOCC 7a_100011215259_100000210202 [1,1,0,0,0,0|1,0,0]=3 9974 B10R0.71 CCCCCOCCOCF 34a_100011215259_100015361967 [1,1,0,0,0,0|2,0,0]=4 9975 B10R0.71 CCCCCOCCOCF 7a_100011215259_100015361967 [1,1,0,0,0,0|2,0,0]=4 9976 B10R0.71 CCCCCOCCSCC 34a_100000210253_100000757381 [1,1,0,0,0,0|1,0,0]=3 9977 B10R0.71 CCCCCOCCSCC 34a_100000212035_100000718602 [1,1,0,0,0,0|1,0,0]=3 9978 B10R0.71 CCCCCOCCSCC 7a_100000210253_100000757381 [1,1,0,0,0,0|1,0,0]=3 9979 B10R0.71 CCCCCOCCSCC 7a_100000212035_100000210326 [1,1,0,0,0,0|1,0,0]=3 9980 B10R0.71 CCCCCSCCCC#N 62a_100000210326_100000687738 [1,1,0,0,0,0|1,0,1]=4 9981 B10R0.71 CCCCCSCCCC#N 62a_100000687738_100000210326 [1,1,0,0,0,0|1,0,1]=4 9982 B10R0.71 CCCCCSCCCC=O 62a_100000210326_200011292268 [1,1,0,0,0,0|1,0,1]=4 9983 B10R0.71 CCCCCSCCCC=O 62a_200011292268_100000210326 [1,1,0,0,0,0|1,0,1]=4 9984 B10R0.71 CCCCCSCCCCC 62a_100000210326_100000210326 [1,1,0,0,0,0|0,0,0]=2 9985 B10R0.71 CCCCCSCCCCF 62a_100000210326_100000729493 [1,1,0,0,0,0|1,0,0]=3 9986 B10R0.71 CCCCCSCCCCF 62a_100000729493_100000210326 [1,1,0,0,0,0|1,0,0]=3 9987 B10R0.71 CCCCCSCCCCO 62a_100000210326_100000210776 [1,1,0,0,0,0|1,0,0]=3 9988 B10R0.71 CCCCCSCCCCO 62a_100000210776_100000210326 [1,1,0,0,0,0|1,0,0]=3 9989 B10R0.71 CCCCCSCCCOC 62a_100000210326_100000709357 [1,1,0,0,0,0|1,0,0]=3 9990 B10R0.71 CCCCCSCCCOC 62a_100000709357_100000210326 [1,1,0,0,0,0|1,0,0]=3 9991 B10R0.71 CCCCCSCCOCC 62a_100000210147_100000210326 [1,1,0,0,0,0|1,0,0]=3 9992 B10R0.71 CCCCCSCCOCC 62a_100000210326_100011215890 [1,1,0,0,0,0|1,0,0]=3 9993 B10R0.71 CCCCCSCCSCC 62a_100000210326_100000757381 [1,1,0,0,0,0|1,0,0]=3 9994 B10R0.71 CCCCCSCCSCC 62a_100000757381_100000210326 [1,1,0,0,0,0|1,0,0]=3 9995 B10R0.71 CCCCNCCCCC#N 2230a_100000102301_100000211819 [1,1,0,0,0,0|1,0,1]=4 9996 B10R0.71 CCCCNCCCCC#N 7a_106832991798_100000211819 [1,1,0,0,0,0|1,0,1]=4 9997 B10R0.71 CCCCNCCCCC=O 2230a_100000102301_100000139335 [1,1,0,0,0,0|1,0,1]=4 9998 B10R0.71 CCCCNCCCCC=O 7a_106832991798_100000139335 [1,1,0,0,0,0|1,0,1]=4 9999 B10R0.71 CCCCNCCCCCF 2230a_100000102301_100000729378 [1,1,0,0,0,0|1,0,0]=3 10000 B10R0.71 CCCCNCCCCCF 7a_106832991798_100000729378 [1,1,0,0,0,0|1,0,0]=3 10001 B10R0.71 CCCCNCCCCCO 2230a_100000102301_100000746330 [1,1,0,0,0,0|1,0,0]=3 10002 B10R0.71 CCCCNCCCCCO 2230a_100000762737_100000210211 [1,1,0,0,0,0|1,0,0]=3 10003 B10R0.71 CCCCNCCCCCO 34a_100000762737_100000210210 [1,1,0,0,0,0|1,0,0]=3 10004 B10R0.71 CCCCNCCCCCO 7a_106832991798_100000746330 [1,1,0,0,0,0|1,0,0]=3 10005 B10R0.71 CCCCNCCCCOC 2230a_100000102301_100000730899 [1,1,0,0,0,0|1,0,0]=3 10006 B10R0.71 CCCCNCCCCOC 34a_200011216965_200000210301 [1,1,0,0,0,0|1,0,0]=3 10007 B10R0.71 CCCCNCCCCOC 7a_106832991798_100000730899 [1,1,0,0,0,0|1,0,0]=3 10008 B10R0.71 CCCCNCCCCO[13CH3] 34a_200011216965_200025704644 [1,1,0,0,0,0|1,0,0]=3 10009 B10R0.71 CCCCNCCCOCC 2230a_100000102301_100012232248 [1,1,0,0,0,0|1,0,0]=3 10010 B10R0.71 CCCCNCCCOCC 2230a_100000210961_100000210211 [1,1,0,0,0,0|1,0,0]=3 10011 B10R0.71 CCCCNCCCOCC 34a_100000210961_100000210210 [1,1,0,0,0,0|1,0,0]=3 10012 B10R0.71 CCCCNCCCOCC 7a_106832991798_100012232248 [1,1,0,0,0,0|1,0,0]=3 10013 B10R0.71 CCCCNCCOCCC 2230a_100000102301_100011215938 [1,1,0,0,0,0|1,0,0]=3 10014 B10R0.71 CCCCNCCOCCC 2230a_100161115042_100000210211 [1,1,0,0,0,0|1,0,0]=3 10015 B10R0.71 CCCCNCCOCCC 34a_100161115042_100000210210 [1,1,0,0,0,0|1,0,0]=3 10016 B10R0.71 CCCCNCCOCCC 7a_106832991798_100011215938 [1,1,0,0,0,0|1,0,0]=3 10017 B10R0.71 CCCCNCCOCCO 2230a_100000102301_100011215305 [1,1,0,0,0,0|2,0,0]=4 10018 B10R0.71 CCCCNCCOCCO 2230a_100000211614_100000210211 [1,1,0,0,0,0|2,0,0]=4 10019 B10R0.71 CCCCNCCOCCO 34a_100000211614_100000210210 [1,1,0,0,0,0|2,0,0]=4 10020 B10R0.71 CCCCNCCOCCO 7a_106832991798_100011215305 [1,1,0,0,0,0|2,0,0]=4 10021 B10R0.71 CCCCNCCSCCC 2230a_100020603323_100000210211 [1,1,0,0,0,0|1,0,0]=3 10022 B10R0.71 CCCCNCCSCCO 2230a_100011219999_100000210211 [1,1,0,0,0,0|2,0,0]=4 10023 B10R0.71 CCCCNCOCCCC 2230a_100000102301_100011995733 [1,1,0,0,0,0|1,0,0]=3 10024 B10R0.71 CCCCNCOCCOC 2230a_100000102301_100000231047 [1,1,0,0,0,0|2,0,0]=4 10025 B10R0.71 CCCCOCCCCC#N 7a_100000210227_100000211819 [1,1,0,0,0,0|1,0,1]=4 10026 B10R0.71 CCCCOCCCCC=O 7a_100000210227_100000139335 [1,1,0,0,0,0|1,0,1]=4 10027 B10R0.71 CCCCOCCCCCBr 34a_100000746331_100000210210 [1,1,0,0,0,0|1,0,0]=3 10028 B10R0.71 CCCCOCCCCCBr 7a_100000746331_100000210211 [1,1,0,0,0,0|1,0,0]=3 10029 B10R0.71 CCCCOCCCCCCl 34a_100000746330_100000210210 [1,1,0,0,0,0|1,0,0]=3 10030 B10R0.71 CCCCOCCCCCCl 7a_100000746330_100000210211 [1,1,0,0,0,0|1,0,0]=3 10031 B10R0.71 CCCCOCCCCCF 34a_100000210227_100000729378 [1,1,0,0,0,0|1,0,0]=3 10032 B10R0.71 CCCCOCCCCCF 7a_100000210227_100000729378 [1,1,0,0,0,0|1,0,0]=3 10033 B10R0.71 CCCCOCCCCCI 34a_200012148887_100000210210 [1,1,0,0,0,0|1,0,0]=3 10034 B10R0.71 CCCCOCCCCCI 7a_200012148887_100000210211 [1,1,0,0,0,0|1,0,0]=3 10035 B10R0.71 CCCCOCCCCCN 34a_100000762737_100000210210 [1,1,0,0,0,0|1,0,0]=3 10036 B10R0.71 CCCCOCCCCCO 34a_100000210227_100000746330 [1,1,0,0,0,0|1,0,0]=3 10037 B10R0.71 CCCCOCCCCCO 7a_100000210227_100000746330 [1,1,0,0,0,0|1,0,0]=3 10038 B10R0.71 CCCCOCCCCOC 34a_100000210227_100000755781 [1,1,0,0,0,0|1,0,0]=3 10039 B10R0.71 CCCCOCCCCOC 34a_100000740925_100000210210 [1,1,0,0,0,0|1,0,0]=3 10040 B10R0.71 CCCCOCCCCOC 34a_200000760531_200000210301 [1,1,0,0,0,0|1,0,0]=3 10041 B10R0.71 CCCCOCCCCOC 7a_100000210227_100000730899 [1,1,0,0,0,0|1,0,0]=3 10042 B10R0.71 CCCCOCCCCOC 7a_200000760531_200000210301 [1,1,0,0,0,0|1,0,0]=3 10043 B10R0.71 CCCCOCCCCO[13CH3] 34a_200000760531_200025704644 [1,1,0,0,0,0|1,0,0]=3 10044 B10R0.71 CCCCOCCCCO[13CH3] 7a_200000760531_200025704644 [1,1,0,0,0,0|1,0,0]=3 10045 B10R0.71 CCCCOCCCCSC 34a_100011217163_100000210210 [1,1,0,0,0,0|1,0,0]=3 10046 B10R0.71 CCCCOCCCCSC 7a_100011217163_100000210211 [1,1,0,0,0,0|1,0,0]=3 10047 B10R0.71 CCCCOCCCNCC 2230a_200000211371_100000210202 [1,1,0,0,0,0|1,0,0]=3 10048 B10R0.71 CCCCOCCCNCC 34a_200000211371_100000210202 [1,1,0,0,0,0|1,0,0]=3 10049 B10R0.71 CCCCOCCCNCF 34a_200000211371_100015361967 [1,1,0,0,0,0|2,0,0]=4 10050 B10R0.71 CCCCOCCCOCC 34a_100000210227_100012232248 [1,1,0,0,0,0|1,0,0]=3 10051 B10R0.71 CCCCOCCCOCC 34a_100000757476_100000210210 [1,1,0,0,0,0|1,0,0]=3 10052 B10R0.71 CCCCOCCCOCC 34a_200011215613_100000210202 [1,1,0,0,0,0|1,0,0]=3 10053 B10R0.71 CCCCOCCCOCC 7a_100000210227_100012232248 [1,1,0,0,0,0|1,0,0]=3 10054 B10R0.71 CCCCOCCCOCC 7a_100000757476_100000210211 [1,1,0,0,0,0|1,0,0]=3 10055 B10R0.71 CCCCOCCCOCC 7a_200011215613_100000210202 [1,1,0,0,0,0|1,0,0]=3 10056 B10R0.71 CCCCOCCCOCF 34a_200011215613_100015361967 [1,1,0,0,0,0|2,0,0]=4 10057 B10R0.71 CCCCOCCCOCF 7a_200011215613_100015361967 [1,1,0,0,0,0|2,0,0]=4 10058 B10R0.71 CCCCOCCCSCC 34a_100011216438_100000210210 [1,1,0,0,0,0|1,0,0]=3 10059 B10R0.71 CCCCOCCCSCC 7a_100011216438_100000210211 [1,1,0,0,0,0|1,0,0]=3 10060 B10R0.71 CCCCOCCNCCF 34a_100000724931_100000743108 [1,1,0,0,0,0|2,0,0]=4 10061 B10R0.71 CCCCOCCNCCO 2230a_100016997473_100000743108 [1,1,0,0,0,0|2,0,0]=4 10062 B10R0.71 CCCCOCCNCCO 34a_100016990907_100000743108 [1,1,0,0,0,0|2,0,0]=4 10063 B10R0.71 CCCCOCCOCCBr 34a_100000211926_100000743108 [1,1,0,0,0,0|2,0,0]=4 10064 B10R0.71 CCCCOCCOCCBr 34a_100000692535_100000210210 [1,1,0,0,0,0|2,0,0]=4 10065 B10R0.71 CCCCOCCOCCBr 7a_100000692535_100000210211 [1,1,0,0,0,0|2,0,0]=4 10066 B10R0.71 CCCCOCCOCCC 34a_100000210227_100011215938 [1,1,0,0,0,0|1,0,0]=3 10067 B10R0.71 CCCCOCCOCCC 34a_100000210238_100000210303 [1,1,0,0,0,0|1,0,0]=3 10068 B10R0.71 CCCCOCCOCCC 34a_100000210258_100000743108 [1,1,0,0,0,0|1,0,0]=3 10069 B10R0.71 CCCCOCCOCCC 34a_100000752267_100000210210 [1,1,0,0,0,0|1,0,0]=3 10070 B10R0.71 CCCCOCCOCCC 7a_100000210227_100011215938 [1,1,0,0,0,0|1,0,0]=3 10071 B10R0.71 CCCCOCCOCCC 7a_100000210238_100000210303 [1,1,0,0,0,0|1,0,0]=3 10072 B10R0.71 CCCCOCCOCCC 7a_100000752267_100000210211 [1,1,0,0,0,0|1,0,0]=3 10073 B10R0.71 CCCCOCCOCCCl 34a_100011215305_100000210210 [1,1,0,0,0,0|2,0,0]=4 10074 B10R0.71 CCCCOCCOCCCl 7a_100011215305_100000210211 [1,1,0,0,0,0|2,0,0]=4 10075 B10R0.71 CCCCOCCOCCF 34a_100000210238_100011217306 [1,1,0,0,0,0|2,0,0]=4 10076 B10R0.71 CCCCOCCOCCF 34a_200015357709_100000210210 [1,1,0,0,0,0|2,0,0]=4 10077 B10R0.71 CCCCOCCOCCF 7a_100000210238_100011217306 [1,1,0,0,0,0|2,0,0]=4 10078 B10R0.71 CCCCOCCOCCF 7a_200015357709_100000210211 [1,1,0,0,0,0|2,0,0]=4 10079 B10R0.71 CCCCOCCOCCI 34a_100012149058_100000210210 [1,1,0,0,0,0|2,0,0]=4 10080 B10R0.71 CCCCOCCOCCI 7a_100012149058_100000210211 [1,1,0,0,0,0|2,0,0]=4 10081 B10R0.71 CCCCOCCOCCN 34a_100000210304_100000743108 [1,1,0,0,0,0|2,0,0]=4 10082 B10R0.71 CCCCOCCOCCN 34a_100000211614_100000210210 [1,1,0,0,0,0|2,0,0]=4 10083 B10R0.71 CCCCOCCOCCO 34a_100000210227_100000692535 [1,1,0,0,0,0|2,0,0]=4 10084 B10R0.71 CCCCOCCOCCO 34a_100000210238_100000211926 [1,1,0,0,0,0|2,0,0]=4 10085 B10R0.71 CCCCOCCOCCO 7a_100000210227_100011215305 [1,1,0,0,0,0|2,0,0]=4 10086 B10R0.71 CCCCOCCOCCO 7a_100000210238_100000211926 [1,1,0,0,0,0|2,0,0]=4 10087 B10R0.71 CCCCOCCOCSC 34a_100000210238_100011218213 [1,1,0,0,0,0|2,0,0]=4 10088 B10R0.71 CCCCOCCSCCC 34a_200000230433_100000210210 [1,1,0,0,0,0|1,0,0]=3 10089 B10R0.71 CCCCOCCSCCC 62a_100000210303_100000743108 [1,1,0,0,0,0|1,0,0]=3 10090 B10R0.71 CCCCOCCSCCC 62a_100000743108_100000210303 [1,1,0,0,0,0|1,0,0]=3 10091 B10R0.71 CCCCOCCSCCC 7a_200000230433_100000210211 [1,1,0,0,0,0|1,0,0]=3 10092 B10R0.71 CCCCOCCSCCF 62a_100000743108_100011217306 [1,1,0,0,0,0|2,0,0]=4 10093 B10R0.71 CCCCOCCSCCF 62a_100011217306_100000743108 [1,1,0,0,0,0|2,0,0]=4 10094 B10R0.71 CCCCOCCSCCO 62a_100000211926_100000743108 [1,1,0,0,0,0|2,0,0]=4 10095 B10R0.71 CCCCOCCSCCO 62a_100000743108_100000211926 [1,1,0,0,0,0|2,0,0]=4 10096 B10R0.71 CCCCOCCSCOC 62a_100000743108_100000766300 [1,1,0,0,0,0|2,0,0]=4 10097 B10R0.71 CCCCOCCSCOC 62a_100000766300_100000743108 [1,1,0,0,0,0|2,0,0]=4 10098 B10R0.71 CCCCOCCSCSC 62a_100000743108_100011218213 [1,1,0,0,0,0|2,0,0]=4 10099 B10R0.71 CCCCOCCSCSC 62a_100011218213_100000743108 [1,1,0,0,0,0|2,0,0]=4 10100 B10R0.71 CCCCOCNCCCF 2230a_100015189416_100011995733 [1,1,0,0,0,0|2,0,0]=4 10101 B10R0.71 CCCCOCNCCCF 34a_100015189416_100011995733 [1,1,0,0,0,0|2,0,0]=4 10102 B10R0.71 CCCCOCNCCOC 2230a_100000209980_100011995733 [1,1,0,0,0,0|2,0,0]=4 10103 B10R0.71 CCCCOCNCCSC 2230a_100020590264_100011995733 [1,1,0,0,0,0|2,0,0]=4 10104 B10R0.71 CCCCOCOCCCBr 34a_100011217188_100011995733 [1,1,0,0,0,0|2,0,0]=4 10105 B10R0.71 CCCCOCOCCCC 34a_100000210227_100011995733 [1,1,0,0,0,0|1,0,0]=3 10106 B10R0.71 CCCCOCOCCCCl 34a_100000230001_100011995733 [1,1,0,0,0,0|2,0,0]=4 10107 B10R0.71 CCCCOCOCCCF 34a_100000759539_100011995733 [1,1,0,0,0,0|2,0,0]=4 10108 B10R0.71 CCCCOCOCCCN 34a_100000182051_100011995733 [1,1,0,0,0,0|2,0,0]=4 10109 B10R0.71 CCCCOCOCCOC 34a_100000210237_100011995733 [1,1,0,0,0,0|2,0,0]=4 10110 B10R0.71 CCCCOCOCCSC 34a_100000230434_100011995733 [1,1,0,0,0,0|2,0,0]=4 10111 B10R0.71 CCCCOCSCCCC 62a_100000210211_100011995733 [1,1,0,0,0,0|1,0,0]=3 10112 B10R0.71 CCCCOCSCCCC 62a_100011995733_100000210210 [1,1,0,0,0,0|1,0,0]=3 10113 B10R0.71 CCCCOCSCCCF 62a_100011934791_100011995733 [1,1,0,0,0,0|2,0,0]=4 10114 B10R0.71 CCCCOCSCCCF 62a_100011995733_100011934791 [1,1,0,0,0,0|2,0,0]=4 10115 B10R0.71 CCCCOCSCCCO 62a_100011215043_100011995733 [1,1,0,0,0,0|2,0,0]=4 10116 B10R0.71 CCCCOCSCCCO 62a_100011995733_100011215043 [1,1,0,0,0,0|2,0,0]=4 10117 B10R0.71 CCCCOCSCCOC 62a_100000233755_100011995733 [1,1,0,0,0,0|2,0,0]=4 10118 B10R0.71 CCCCOCSCCOC 62a_100011995733_100000233755 [1,1,0,0,0,0|2,0,0]=4 10119 B10R0.71 CCCCOCSCCSC 62a_100000212216_100011995733 [1,1,0,0,0,0|2,0,0]=4 10120 B10R0.71 CCCCOCSCCSC 62a_100011995733_100000751147 [1,1,0,0,0,0|2,0,0]=4 10121 B10R0.71 CCCCOCSCOCC 62a_100000739092_100011995733 [1,1,0,0,0,0|2,0,0]=4 10122 B10R0.71 CCCCOCSCOCC 62a_100011995733_100000739092 [1,1,0,0,0,0|2,0,0]=4 10123 B10R0.71 CCCCSCCCCC#N 62a_100000210211_100000211819 [1,1,0,0,0,0|1,0,1]=4 10124 B10R0.71 CCCCSCCCCC#N 62a_100011219923_100000210210 [1,1,0,0,0,0|1,0,1]=4 10125 B10R0.71 CCCCSCCCCC=O 62a_100000139335_100000210210 [1,1,0,0,0,0|1,0,1]=4 10126 B10R0.71 CCCCSCCCCC=O 62a_100000210211_100000139335 [1,1,0,0,0,0|1,0,1]=4 10127 B10R0.71 CCCCSCCCCCF 62a_100000210211_100000729378 [1,1,0,0,0,0|1,0,0]=3 10128 B10R0.71 CCCCSCCCCCF 62a_100000729378_100000210210 [1,1,0,0,0,0|1,0,0]=3 10129 B10R0.71 CCCCSCCCCCO 62a_100000210211_100000746330 [1,1,0,0,0,0|1,0,0]=3 10130 B10R0.71 CCCCSCCCCCO 62a_100000746330_100000210210 [1,1,0,0,0,0|1,0,0]=3 10131 B10R0.71 CCCCSCCCCOC 62a_100000210211_100000730899 [1,1,0,0,0,0|1,0,0]=3 10132 B10R0.71 CCCCSCCCCOC 62a_100000730899_100000210210 [1,1,0,0,0,0|1,0,0]=3 10133 B10R0.71 CCCCSCCCOCC 62a_100000210211_100012232248 [1,1,0,0,0,0|1,0,0]=3 10134 B10R0.71 CCCCSCCCOCC 62a_100012232248_100000210210 [1,1,0,0,0,0|1,0,0]=3 10135 B10R0.71 CCCCSCCNCCC 2230a_100025743550_100000210303 [1,1,0,0,0,0|1,0,0]=3 10136 B10R0.71 CCCCSCCNCCF 2230a_100025743550_100011217306 [1,1,0,0,0,0|2,0,0]=4 10137 B10R0.71 CCCCSCCNCCO 2230a_100025743550_100000211926 [1,1,0,0,0,0|2,0,0]=4 10138 B10R0.71 CCCCSCCNCOC 2230a_100025743550_100000766300 [1,1,0,0,0,0|2,0,0]=4 10139 B10R0.71 CCCCSCCNCSC 2230a_100025743550_100011218213 [1,1,0,0,0,0|2,0,0]=4 10140 B10R0.71 CCCCSCCOCCC 34a_200000230436_100000210303 [1,1,0,0,0,0|1,0,0]=3 10141 B10R0.71 CCCCSCCOCCC 62a_100000210211_100011215938 [1,1,0,0,0,0|1,0,0]=3 10142 B10R0.71 CCCCSCCOCCC 62a_100011215938_100000210210 [1,1,0,0,0,0|1,0,0]=3 10143 B10R0.71 CCCCSCCOCCC 7a_200000230436_100000210303 [1,1,0,0,0,0|1,0,0]=3 10144 B10R0.71 CCCCSCCOCCF 34a_200000230436_100011217306 [1,1,0,0,0,0|2,0,0]=4 10145 B10R0.71 CCCCSCCOCCF 7a_200000230436_100011217306 [1,1,0,0,0,0|2,0,0]=4 10146 B10R0.71 CCCCSCCOCCO 34a_200000230436_100000211926 [1,1,0,0,0,0|2,0,0]=4 10147 B10R0.71 CCCCSCCOCCO 62a_100000210211_100011215305 [1,1,0,0,0,0|2,0,0]=4 10148 B10R0.71 CCCCSCCOCCO 62a_100011215305_100000210210 [1,1,0,0,0,0|2,0,0]=4 10149 B10R0.71 CCCCSCCOCCO 7a_200000230436_100000211926 [1,1,0,0,0,0|2,0,0]=4 10150 B10R0.71 CCCCSCCOCSC 34a_200000230436_100011218213 [1,1,0,0,0,0|2,0,0]=4 10151 B10R0.71 CCCCSCOCCOC 62a_100000210211_100000231047 [1,1,0,0,0,0|2,0,0]=4 10152 B10R0.71 CCCCSCOCCOC 62a_100000231047_100000210210 [1,1,0,0,0,0|2,0,0]=4 10153 B10R0.71 CCCNCCCCCCO 2230a_100000686447_100000210303 [1,1,0,0,0,0|1,0,0]=3 10154 B10R0.71 CCCNCCCCCCO 34a_100000686447_100000210303 [1,1,0,0,0,0|1,0,0]=3 10155 B10R0.71 CCCNCCCCCOC 2230a_100000747528_100000210303 [1,1,0,0,0,0|1,0,0]=3 10156 B10R0.71 CCCNCCCCCOC 34a_100000747528_100000210303 [1,1,0,0,0,0|1,0,0]=3 10157 B10R0.71 CCCNCCCOCCC 2230a_100011217757_100000210303 [1,1,0,0,0,0|1,0,0]=3 10158 B10R0.71 CCCNCCCOCCC 34a_100011217757_100000210303 [1,1,0,0,0,0|1,0,0]=3 10159 B10R0.71 CCCNCCOCCOC 2230a_100000745349_100000210303 [1,1,0,0,0,0|2,0,0]=4 10160 B10R0.71 CCCNCCOCCOC 34a_100000745349_100000210303 [1,1,0,0,0,0|2,0,0]=4 10161 B10R0.71 CCCOCCCCCCBr 34a_100011215345_100000210303 [1,1,0,0,0,0|1,0,0]=3 10162 B10R0.71 CCCOCCCCCCBr 7a_100011215345_100000210303 [1,1,0,0,0,0|1,0,0]=3 10163 B10R0.71 CCCOCCCCCCCl 34a_100000766143_100000210303 [1,1,0,0,0,0|1,0,0]=3 10164 B10R0.71 CCCOCCCCCCCl 7a_100000766143_100000210303 [1,1,0,0,0,0|1,0,0]=3 10165 B10R0.71 CCCOCCCCCCF 34a_100000210258_100015922095 [1,1,0,0,0,0|1,0,0]=3 10166 B10R0.71 CCCOCCCCCCF 34a_100000732779_100000210303 [1,1,0,0,0,0|1,0,0]=3 10167 B10R0.71 CCCOCCCCCCF 7a_100000732779_100000210303 [1,1,0,0,0,0|1,0,0]=3 10168 B10R0.71 CCCOCCCCCCN 34a_100000686447_100000210303 [1,1,0,0,0,0|1,0,0]=3 10169 B10R0.71 CCCOCCCCCCO 34a_100000210258_100000766143 [1,1,0,0,0,0|1,0,0]=3 10170 B10R0.71 CCCOCCCCCNC 34a_100000722520_100000210303 [1,1,0,0,0,0|1,0,0]=3 10171 B10R0.71 CCCOCCCNCCF 2230a_100011217757_100011217306 [1,1,0,0,0,0|2,0,0]=4 10172 B10R0.71 CCCOCCCNCCF 34a_100011217757_100011217306 [1,1,0,0,0,0|2,0,0]=4 10173 B10R0.71 CCCOCCCNCCO 2230a_100011217757_100000211926 [1,1,0,0,0,0|2,0,0]=4 10174 B10R0.71 CCCOCCCNCCO 34a_100011217757_100000211926 [1,1,0,0,0,0|2,0,0]=4 10175 B10R0.71 CCCOCCCNCOC 2230a_100011217757_100000766300 [1,1,0,0,0,0|2,0,0]=4 10176 B10R0.71 CCCOCCCNCSC 2230a_100011217757_100011218213 [1,1,0,0,0,0|2,0,0]=4 10177 B10R0.71 CCCOCCCNCSC 34a_100011217757_100011218213 [1,1,0,0,0,0|2,0,0]=4 10178 B10R0.71 CCCOCCNCCCF 2230a_100015189416_100011215938 [1,1,0,0,0,0|2,0,0]=4 10179 B10R0.71 CCCOCCNCCCF 2230a_100161115042_100011934791 [1,1,0,0,0,0|2,0,0]=4 10180 B10R0.71 CCCOCCNCCCF 34a_100015189416_100011215938 [1,1,0,0,0,0|2,0,0]=4 10181 B10R0.71 CCCOCCNCCCF 34a_100161115042_100011934791 [1,1,0,0,0,0|2,0,0]=4 10182 B10R0.71 CCCOCCNCCCO 2230a_100161115042_100000230001 [1,1,0,0,0,0|2,0,0]=4 10183 B10R0.71 CCCOCCNCCCO 34a_100161115042_100000230001 [1,1,0,0,0,0|2,0,0]=4 10184 B10R0.71 CCCOCCNCCOC 2230a_100000209980_100011215938 [1,1,0,0,0,0|2,0,0]=4 10185 B10R0.71 CCCOCCNCCOC 2230a_100161115042_100011201679 [1,1,0,0,0,0|2,0,0]=4 10186 B10R0.71 CCCOCCNCCOC 34a_100161115042_100011201679 [1,1,0,0,0,0|2,0,0]=4 10187 B10R0.71 CCCOCCNCCSC 2230a_100020590264_100011215938 [1,1,0,0,0,0|2,0,0]=4 10188 B10R0.71 CCCOCCNCCSC 2230a_100161115042_100000751147 [1,1,0,0,0,0|2,0,0]=4 10189 B10R0.71 CCCOCCNCCSC 34a_100161115042_100000212216 [1,1,0,0,0,0|2,0,0]=4 10190 B10R0.71 CCCOCCOCCCBr 34a_100011217188_100011215938 [1,1,0,0,0,0|2,0,0]=4 10191 B10R0.71 CCCOCCOCCCCl 34a_100000230001_100011215938 [1,1,0,0,0,0|2,0,0]=4 10192 B10R0.71 CCCOCCOCCCF 34a_100000752267_100011934791 [1,1,0,0,0,0|2,0,0]=4 10193 B10R0.71 CCCOCCOCCCF 34a_100000759539_100011215938 [1,1,0,0,0,0|2,0,0]=4 10194 B10R0.71 CCCOCCOCCCF 7a_100000752267_100011934791 [1,1,0,0,0,0|2,0,0]=4 10195 B10R0.71 CCCOCCOCCCN 34a_100000182051_100011215938 [1,1,0,0,0,0|2,0,0]=4 10196 B10R0.71 CCCOCCOCCCO 34a_100000752267_100000230001 [1,1,0,0,0,0|2,0,0]=4 10197 B10R0.71 CCCOCCOCCCO 7a_100000752267_100011215043 [1,1,0,0,0,0|2,0,0]=4 10198 B10R0.71 CCCOCCOCCNC 2230a_200011904461_200000210301 [1,1,0,0,0,0|2,0,0]=4 10199 B10R0.71 CCCOCCOCCNC 34a_100000228057_100000210303 [1,1,0,0,0,0|2,0,0]=4 10200 B10R0.71 CCCOCCOCCNC 34a_200011904461_200000210301 [1,1,0,0,0,0|2,0,0]=4 10201 B10R0.71 CCCOCCOCCN[13CH3] 2230a_200011904461_200025704644 [1,1,0,0,0,0|2,0,0]=4 10202 B10R0.71 CCCOCCOCCN[13CH3] 34a_200011904461_200025704644 [1,1,0,0,0,0|2,0,0]=4 10203 B10R0.71 CCCOCCOCCOC 34a_100000210237_100011215938 [1,1,0,0,0,0|2,0,0]=4 10204 B10R0.71 CCCOCCOCCOC 34a_100000210258_100000695917 [1,1,0,0,0,0|2,0,0]=4 10205 B10R0.71 CCCOCCOCCOC 34a_100000752267_100011201679 [1,1,0,0,0,0|2,0,0]=4 10206 B10R0.71 CCCOCCOCCOC 34a_100011215163_100000210303 [1,1,0,0,0,0|2,0,0]=4 10207 B10R0.71 CCCOCCOCCOC 7a_100000752267_100000233755 [1,1,0,0,0,0|2,0,0]=4 10208 B10R0.71 CCCOCCOCCOC 7a_100011215163_100000210303 [1,1,0,0,0,0|2,0,0]=4 10209 B10R0.71 CCCOCCOCCSC 34a_100000230434_100011215938 [1,1,0,0,0,0|2,0,0]=4 10210 B10R0.71 CCCOCCOCCSC 34a_100000752267_100000212216 [1,1,0,0,0,0|2,0,0]=4 10211 B10R0.71 CCCOCCOCCSC 7a_100000230434_100011215938 [1,1,0,0,0,0|2,0,0]=4 10212 B10R0.71 CCCOCCOCCSC 7a_100000752267_100000212216 [1,1,0,0,0,0|2,0,0]=4 10213 B10R0.71 CCCOCCSCCCF 62a_100011215938_100011934791 [1,1,0,0,0,0|2,0,0]=4 10214 B10R0.71 CCCOCCSCCCF 62a_100011934791_100011215938 [1,1,0,0,0,0|2,0,0]=4 10215 B10R0.71 CCCOCCSCCCO 62a_100011215043_100011215938 [1,1,0,0,0,0|2,0,0]=4 10216 B10R0.71 CCCOCCSCCCO 62a_100011215938_100011215043 [1,1,0,0,0,0|2,0,0]=4 10217 B10R0.71 CCCOCCSCCOC 62a_100000233755_100011215938 [1,1,0,0,0,0|2,0,0]=4 10218 B10R0.71 CCCOCCSCCOC 62a_100011215938_100000233755 [1,1,0,0,0,0|2,0,0]=4 10219 B10R0.71 CCCOCCSCCSC 62a_100000212216_100011215938 [1,1,0,0,0,0|2,0,0]=4 10220 B10R0.71 CCCOCCSCCSC 62a_100011215938_100000751147 [1,1,0,0,0,0|2,0,0]=4 10221 B10R0.71 CCCOCCSCOCC 62a_100000739092_100011215938 [1,1,0,0,0,0|2,0,0]=4 10222 B10R0.71 CCCOCCSCOCC 62a_100011215938_100000739092 [1,1,0,0,0,0|2,0,0]=4 10223 B10R0.71 CCCSCCCCCC#N 62a_100000210303_100009813376 [1,1,0,0,0,0|1,0,1]=4 10224 B10R0.71 CCCSCCCCCC#N 62a_100009813376_100000210303 [1,1,0,0,0,0|1,0,1]=4 10225 B10R0.71 CCCSCCCCCC=O 62a_100000139337_100000210303 [1,1,0,0,0,0|1,0,1]=4 10226 B10R0.71 CCCSCCCCCC=O 62a_100000210303_100000139337 [1,1,0,0,0,0|1,0,1]=4 10227 B10R0.71 CCCSCCCCCCF 62a_100000210303_100015922095 [1,1,0,0,0,0|1,0,0]=3 10228 B10R0.71 CCCSCCCCCCF 62a_100015922095_100000210303 [1,1,0,0,0,0|1,0,0]=3 10229 B10R0.71 CCCSCCCCCCO 62a_100000210303_100000766143 [1,1,0,0,0,0|1,0,0]=3 10230 B10R0.71 CCCSCCCCCCO 62a_100000766143_100000210303 [1,1,0,0,0,0|1,0,0]=3 10231 B10R0.71 CCCSCCNCCCF 2230a_100020603323_100011934791 [1,1,0,0,0,0|2,0,0]=4 10232 B10R0.71 CCCSCCNCCCO 2230a_100020603323_100000230001 [1,1,0,0,0,0|2,0,0]=4 10233 B10R0.71 CCCSCCNCCOC 2230a_100020603323_100011201679 [1,1,0,0,0,0|2,0,0]=4 10234 B10R0.71 CCCSCCNCCSC 2230a_100020603323_100000751147 [1,1,0,0,0,0|2,0,0]=4 10235 B10R0.71 CCCSCCOCCCF 34a_200000230433_100011934791 [1,1,0,0,0,0|2,0,0]=4 10236 B10R0.71 CCCSCCOCCCF 7a_200000230433_100011934791 [1,1,0,0,0,0|2,0,0]=4 10237 B10R0.71 CCCSCCOCCCO 34a_200000230433_100000230001 [1,1,0,0,0,0|2,0,0]=4 10238 B10R0.71 CCCSCCOCCCO 7a_200000230433_100011215043 [1,1,0,0,0,0|2,0,0]=4 10239 B10R0.71 CCCSCCOCCOC 34a_200000230433_100011201679 [1,1,0,0,0,0|2,0,0]=4 10240 B10R0.71 CCCSCCOCCOC 62a_100000210303_100000695917 [1,1,0,0,0,0|2,0,0]=4 10241 B10R0.71 CCCSCCOCCOC 62a_100000695917_100000210303 [1,1,0,0,0,0|2,0,0]=4 10242 B10R0.71 CCCSCCOCCOC 7a_200000230433_100000233755 [1,1,0,0,0,0|2,0,0]=4 10243 B10R0.71 CCCSCCOCCSC 34a_200000230433_100000212216 [1,1,0,0,0,0|2,0,0]=4 10244 B10R0.71 CCCSCCOCCSC 7a_200000230433_100000212216 [1,1,0,0,0,0|2,0,0]=4 10245 B10R0.71 CCNCCCCCCC#N 2230a_100015525214_100009813337 [1,1,0,0,0,0|1,0,1]=4 10246 B10R0.71 CCNCCCCCCCO 2230a_100011996573_100000210202 [1,1,0,0,0,0|1,0,0]=3 10247 B10R0.71 CCNCCCCCCCO 2230a_100015525214_100000760002 [1,1,0,0,0,0|1,0,0]=3 10248 B10R0.71 CCNCCCCCCCO 34a_100011996573_100000210202 [1,1,0,0,0,0|1,0,0]=3 10249 B10R0.71 CCNCCCCCCOC 2230a_100015525214_100011998445 [1,1,0,0,0,0|1,0,0]=3 10250 B10R0.71 CCNCCCOCCCO 2230a_100011310245_100000210202 [1,1,0,0,0,0|2,0,0]=4 10251 B10R0.71 CCNCCCOCCCO 34a_100011310245_100000210202 [1,1,0,0,0,0|2,0,0]=4 10252 B10R0.71 CCNCCCOCCOC 2230a_100000206027_100000210202 [1,1,0,0,0,0|2,0,0]=4 10253 B10R0.71 CCNCCCOCCOC 2230a_100015525214_100011216529 [1,1,0,0,0,0|2,0,0]=4 10254 B10R0.71 CCNCCCOCCOC 34a_100000206027_100000210202 [1,1,0,0,0,0|2,0,0]=4 10255 B10R0.71 CCNCCOCCOCC 2230a_100015525214_100011211534 [1,1,0,0,0,0|2,0,0]=4 10256 B10R0.71 CCNCCOCCOCC 2230a_100102712874_100000210202 [1,1,0,0,0,0|2,0,0]=4 10257 B10R0.71 CCNCCOCCOCC 34a_100102712874_100000210202 [1,1,0,0,0,0|2,0,0]=4 10258 B10R0.71 CCOCCCCCCCBr 34a_100000760002_100000210202 [1,1,0,0,0,0|1,0,0]=3 10259 B10R0.71 CCOCCCCCCCBr 7a_100000760002_100000210202 [1,1,0,0,0,0|1,0,0]=3 10260 B10R0.71 CCOCCCCCCCN 34a_100011996573_100000210202 [1,1,0,0,0,0|1,0,0]=3 10261 B10R0.71 CCOCCCCCCCO 34a_100121572206_100000760002 [1,1,0,0,0,0|1,0,0]=3 10262 B10R0.71 CCOCCCCCCOC 34a_100121572206_100011998445 [1,1,0,0,0,0|1,0,0]=3 10263 B10R0.71 CCOCCCCCCOC 34a_200012092642_100000210202 [1,1,0,0,0,0|1,0,0]=3 10264 B10R0.71 CCOCCCCCCOC 7a_200012092642_100000210202 [1,1,0,0,0,0|1,0,0]=3 10265 B10R0.71 CCOCCCNCCCF 2230a_100000210961_100011934791 [1,1,0,0,0,0|2,0,0]=4 10266 B10R0.71 CCOCCCNCCCF 2230a_100015189416_100012232248 [1,1,0,0,0,0|2,0,0]=4 10267 B10R0.71 CCOCCCNCCCF 34a_100000210961_100011934791 [1,1,0,0,0,0|2,0,0]=4 10268 B10R0.71 CCOCCCNCCCF 34a_100015189416_100012232248 [1,1,0,0,0,0|2,0,0]=4 10269 B10R0.71 CCOCCCNCCCO 2230a_100000210961_100000230001 [1,1,0,0,0,0|2,0,0]=4 10270 B10R0.71 CCOCCCNCCCO 34a_100000210961_100000230001 [1,1,0,0,0,0|2,0,0]=4 10271 B10R0.71 CCOCCCNCCOC 2230a_100000209980_100012232248 [1,1,0,0,0,0|2,0,0]=4 10272 B10R0.71 CCOCCCNCCOC 2230a_100000210961_100011201679 [1,1,0,0,0,0|2,0,0]=4 10273 B10R0.71 CCOCCCNCCOC 34a_100000210961_100011201679 [1,1,0,0,0,0|2,0,0]=4 10274 B10R0.71 CCOCCCNCCSC 2230a_100000210961_100000751147 [1,1,0,0,0,0|2,0,0]=4 10275 B10R0.71 CCOCCCNCCSC 2230a_100020590264_100012232248 [1,1,0,0,0,0|2,0,0]=4 10276 B10R0.71 CCOCCCNCCSC 34a_100000210961_100000212216 [1,1,0,0,0,0|2,0,0]=4 10277 B10R0.71 CCOCCCOCCCBr 34a_100011217188_100012232248 [1,1,0,0,0,0|2,0,0]=4 10278 B10R0.71 CCOCCCOCCCCl 34a_100000230001_100012232248 [1,1,0,0,0,0|2,0,0]=4 10279 B10R0.71 CCOCCCOCCCF 34a_100000757476_100011934791 [1,1,0,0,0,0|2,0,0]=4 10280 B10R0.71 CCOCCCOCCCF 34a_100000759539_100012232248 [1,1,0,0,0,0|2,0,0]=4 10281 B10R0.71 CCOCCCOCCCF 7a_100000757476_100011934791 [1,1,0,0,0,0|2,0,0]=4 10282 B10R0.71 CCOCCCOCCCN 34a_100000182051_100012232248 [1,1,0,0,0,0|2,0,0]=4 10283 B10R0.71 CCOCCCOCCCN 34a_100011310245_100000210202 [1,1,0,0,0,0|2,0,0]=4 10284 B10R0.71 CCOCCCOCCCO 34a_100000757476_100000230001 [1,1,0,0,0,0|2,0,0]=4 10285 B10R0.71 CCOCCCOCCCO 7a_100000757476_100011215043 [1,1,0,0,0,0|2,0,0]=4 10286 B10R0.71 CCOCCCOCCOC 34a_100000210237_100012232248 [1,1,0,0,0,0|2,0,0]=4 10287 B10R0.71 CCOCCCOCCOC 34a_100000757476_100011201679 [1,1,0,0,0,0|2,0,0]=4 10288 B10R0.71 CCOCCCOCCOC 34a_100121572206_100011216529 [1,1,0,0,0,0|2,0,0]=4 10289 B10R0.71 CCOCCCOCCOC 7a_100000757476_100000233755 [1,1,0,0,0,0|2,0,0]=4 10290 B10R0.71 CCOCCCOCCSC 34a_100000230434_100012232248 [1,1,0,0,0,0|2,0,0]=4 10291 B10R0.71 CCOCCCOCCSC 34a_100000757476_100000212216 [1,1,0,0,0,0|2,0,0]=4 10292 B10R0.71 CCOCCCOCCSC 7a_100000230434_100012232248 [1,1,0,0,0,0|2,0,0]=4 10293 B10R0.71 CCOCCCOCCSC 7a_100000757476_100000212216 [1,1,0,0,0,0|2,0,0]=4 10294 B10R0.71 CCOCCCSCCCF 62a_100011934791_100012232248 [1,1,0,0,0,0|2,0,0]=4 10295 B10R0.71 CCOCCCSCCCF 62a_100012232248_100011934791 [1,1,0,0,0,0|2,0,0]=4 10296 B10R0.71 CCOCCCSCCCO 62a_100011215043_100012232248 [1,1,0,0,0,0|2,0,0]=4 10297 B10R0.71 CCOCCCSCCCO 62a_100012232248_100011215043 [1,1,0,0,0,0|2,0,0]=4 10298 B10R0.71 CCOCCCSCCOC 62a_100000233755_100012232248 [1,1,0,0,0,0|2,0,0]=4 10299 B10R0.71 CCOCCCSCCOC 62a_100012232248_100000233755 [1,1,0,0,0,0|2,0,0]=4 10300 B10R0.71 CCOCCCSCCSC 62a_100000212216_100012232248 [1,1,0,0,0,0|2,0,0]=4 10301 B10R0.71 CCOCCCSCCSC 62a_100012232248_100000751147 [1,1,0,0,0,0|2,0,0]=4 10302 B10R0.71 CCOCCCSCOCC 62a_100000739092_100012232248 [1,1,0,0,0,0|2,0,0]=4 10303 B10R0.71 CCOCCCSCOCC 62a_100012232248_100000739092 [1,1,0,0,0,0|2,0,0]=4 10304 B10R0.71 CCOCCNCCCCF 2230a_102516460346_100000729493 [1,1,0,0,0,0|2,0,0]=4 10305 B10R0.71 CCOCCNCCCCF 34a_102516460346_100000729493 [1,1,0,0,0,0|2,0,0]=4 10306 B10R0.71 CCOCCNCCCCO 2230a_100000750430_100011215890 [1,1,0,0,0,0|2,0,0]=4 10307 B10R0.71 CCOCCNCCCCO 2230a_102516460346_100000210776 [1,1,0,0,0,0|2,0,0]=4 10308 B10R0.71 CCOCCNCCCCO 34a_100000750430_100000210147 [1,1,0,0,0,0|2,0,0]=4 10309 B10R0.71 CCOCCNCCCCO 34a_102516460346_100011216708 [1,1,0,0,0,0|2,0,0]=4 10310 B10R0.71 CCOCCNCCCOC 2230a_102516460346_100000740836 [1,1,0,0,0,0|2,0,0]=4 10311 B10R0.71 CCOCCNCCCOC 34a_100150723488_100000210147 [1,1,0,0,0,0|2,0,0]=4 10312 B10R0.71 CCOCCNCCCOC 34a_102516460346_100000740836 [1,1,0,0,0,0|2,0,0]=4 10313 B10R0.71 CCOCCNCCCSC 2230a_100000749238_100011215890 [1,1,0,0,0,0|2,0,0]=4 10314 B10R0.71 CCOCCNCCOCC 2230a_102516460346_100011215890 [1,1,0,0,0,0|2,0,0]=4 10315 B10R0.71 CCOCCNCCOCC 34a_102516460346_100000210147 [1,1,0,0,0,0|2,0,0]=4 10316 B10R0.71 CCOCCNCCSCC 2230a_100000106463_100011215890 [1,1,0,0,0,0|2,0,0]=4 10317 B10R0.71 CCOCCNCCSCC 2230a_102516460346_100000757381 [1,1,0,0,0,0|2,0,0]=4 10318 B10R0.71 CCOCCNCCSCC 34a_102516460346_100000757381 [1,1,0,0,0,0|2,0,0]=4 10319 B10R0.71 CCOCCOCCCCBr 34a_100011216708_100000210147 [1,1,0,0,0,0|2,0,0]=4 10320 B10R0.71 CCOCCOCCCCCl 34a_100000210776_100000210147 [1,1,0,0,0,0|2,0,0]=4 10321 B10R0.71 CCOCCOCCCCCl 7a_100000210776_100011215890 [1,1,0,0,0,0|2,0,0]=4 10322 B10R0.71 CCOCCOCCCCF 34a_100000210136_100000729493 [1,1,0,0,0,0|2,0,0]=4 10323 B10R0.71 CCOCCOCCCCF 34a_100011995726_100000210147 [1,1,0,0,0,0|2,0,0]=4 10324 B10R0.71 CCOCCOCCCCF 7a_100000210136_100000729493 [1,1,0,0,0,0|2,0,0]=4 10325 B10R0.71 CCOCCOCCCCF 7a_100011995726_100011215890 [1,1,0,0,0,0|2,0,0]=4 10326 B10R0.71 CCOCCOCCCCI 34a_200012148704_100000210147 [1,1,0,0,0,0|2,0,0]=4 10327 B10R0.71 CCOCCOCCCCN 34a_100000750430_100000210147 [1,1,0,0,0,0|2,0,0]=4 10328 B10R0.71 CCOCCOCCCCO 34a_100000210136_100011216708 [1,1,0,0,0,0|2,0,0]=4 10329 B10R0.71 CCOCCOCCCCO 7a_100000210136_100000210776 [1,1,0,0,0,0|2,0,0]=4 10330 B10R0.71 CCOCCOCCCNC 34a_100000213112_100000210147 [1,1,0,0,0,0|2,0,0]=4 10331 B10R0.71 CCOCCOCCCOC 34a_100000210136_100000740836 [1,1,0,0,0,0|2,0,0]=4 10332 B10R0.71 CCOCCOCCCOC 34a_100000740835_100000210147 [1,1,0,0,0,0|2,0,0]=4 10333 B10R0.71 CCOCCOCCCOC 7a_100000210136_100000740836 [1,1,0,0,0,0|2,0,0]=4 10334 B10R0.71 CCOCCOCCCSC 34a_100000690336_100000210147 [1,1,0,0,0,0|2,0,0]=4 10335 B10R0.71 CCOCCOCCCSC 7a_100000690336_100011215890 [1,1,0,0,0,0|2,0,0]=4 10336 B10R0.71 CCOCCOCCOCC 34a_100000210136_100000210147 [1,1,0,0,0,0|2,0,0]=4 10337 B10R0.71 CCOCCOCCOCC 34a_100000210240_100000210202 [1,1,0,0,0,0|2,0,0]=4 10338 B10R0.71 CCOCCOCCOCC 34a_100121572206_100011211534 [1,1,0,0,0,0|2,0,0]=4 10339 B10R0.71 CCOCCOCCOCC 7a_100000210136_100011215890 [1,1,0,0,0,0|2,0,0]=4 10340 B10R0.71 CCOCCOCCOCC 7a_100000210240_100000210202 [1,1,0,0,0,0|2,0,0]=4 10341 B10R0.71 CCOCCOCCSCC 34a_100000210136_100000757381 [1,1,0,0,0,0|2,0,0]=4 10342 B10R0.71 CCOCCOCCSCC 34a_100000212035_100000210147 [1,1,0,0,0,0|2,0,0]=4 10343 B10R0.71 CCOCCOCCSCC 62a_100000210202_100011211534 [1,1,0,0,0,0|2,0,0]=4 10344 B10R0.71 CCOCCOCCSCC 62a_100011211534_100000210202 [1,1,0,0,0,0|2,0,0]=4 10345 B10R0.71 CCOCCOCCSCC 7a_100000210136_100000757381 [1,1,0,0,0,0|2,0,0]=4 10346 B10R0.71 CCOCCOCCSCC 7a_100000212035_100011215890 [1,1,0,0,0,0|2,0,0]=4 10347 B10R0.71 CCOCCSCCCCF 62a_100000210147_100000729493 [1,1,0,0,0,0|2,0,0]=4 10348 B10R0.71 CCOCCSCCCCF 62a_100000729493_100011215890 [1,1,0,0,0,0|2,0,0]=4 10349 B10R0.71 CCOCCSCCCCO 62a_100000210147_100000210776 [1,1,0,0,0,0|2,0,0]=4 10350 B10R0.71 CCOCCSCCCCO 62a_100000210776_100011215890 [1,1,0,0,0,0|2,0,0]=4 10351 B10R0.71 CCOCCSCCCOC 62a_100000210147_100000709357 [1,1,0,0,0,0|2,0,0]=4 10352 B10R0.71 CCOCCSCCCOC 62a_100000709357_100011215890 [1,1,0,0,0,0|2,0,0]=4 10353 B10R0.71 CCOCCSCCOCC 62a_100000210147_100011215890 [1,1,0,0,0,0|2,0,0]=4 10354 B10R0.71 CCOCCSCCSCC 62a_100000210147_100000757381 [1,1,0,0,0,0|2,0,0]=4 10355 B10R0.71 CCOCCSCCSCC 62a_100000757381_100011215890 [1,1,0,0,0,0|2,0,0]=4 10356 B10R0.71 CCOCSCCCCCF 62a_100000729378_100000739092 [1,1,0,0,0,0|2,0,0]=4 10357 B10R0.71 CCOCSCCCCCF 62a_100000739092_100000729378 [1,1,0,0,0,0|2,0,0]=4 10358 B10R0.71 CCOCSCCCCCO 62a_100000739092_100000746330 [1,1,0,0,0,0|2,0,0]=4 10359 B10R0.71 CCOCSCCCCCO 62a_100000746330_100000739092 [1,1,0,0,0,0|2,0,0]=4 10360 B10R0.71 CCOCSCCCCOC 62a_100000730899_100000739092 [1,1,0,0,0,0|2,0,0]=4 10361 B10R0.71 CCOCSCCCCOC 62a_100000739092_100000730899 [1,1,0,0,0,0|2,0,0]=4 10362 B10R0.71 CCSCCCCCCC#N 62a_100000210202_100009813337 [1,1,0,0,0,0|1,0,1]=4 10363 B10R0.71 CCSCCCCCCC#N 62a_100009813337_100000210202 [1,1,0,0,0,0|1,0,1]=4 10364 B10R0.71 CCSCCCCCCCO 62a_100000210202_100000760002 [1,1,0,0,0,0|1,0,0]=3 10365 B10R0.71 CCSCCCCCCCO 62a_100000760002_100000210202 [1,1,0,0,0,0|1,0,0]=3 10366 B10R0.71 CCSCCCCCCOC 62a_100000210202_100011998445 [1,1,0,0,0,0|1,0,0]=3 10367 B10R0.71 CCSCCCCCCOC 62a_100011998445_100000210202 [1,1,0,0,0,0|1,0,0]=3 10368 B10R0.71 CCSCCCOCCCF 34a_100011216438_100011934791 [1,1,0,0,0,0|2,0,0]=4 10369 B10R0.71 CCSCCCOCCCF 7a_100011216438_100011934791 [1,1,0,0,0,0|2,0,0]=4 10370 B10R0.71 CCSCCCOCCCO 34a_100011216438_100000230001 [1,1,0,0,0,0|2,0,0]=4 10371 B10R0.71 CCSCCCOCCCO 7a_100011216438_100011215043 [1,1,0,0,0,0|2,0,0]=4 10372 B10R0.71 CCSCCCOCCOC 34a_100011216438_100011201679 [1,1,0,0,0,0|2,0,0]=4 10373 B10R0.71 CCSCCCOCCOC 62a_100000210202_100011216529 [1,1,0,0,0,0|2,0,0]=4 10374 B10R0.71 CCSCCCOCCOC 62a_100011216529_100000210202 [1,1,0,0,0,0|2,0,0]=4 10375 B10R0.71 CCSCCCOCCOC 7a_100011216438_100000233755 [1,1,0,0,0,0|2,0,0]=4 10376 B10R0.71 CCSCCCOCCSC 34a_100011216438_100000212216 [1,1,0,0,0,0|2,0,0]=4 10377 B10R0.71 CCSCCCOCCSC 7a_100011216438_100000212216 [1,1,0,0,0,0|2,0,0]=4 10378 B10R0.71 CCSCCNCCCCF 2230a_100000106463_100000729493 [1,1,0,0,0,0|2,0,0]=4 10379 B10R0.71 CCSCCNCCCCO 2230a_100000106463_100000210776 [1,1,0,0,0,0|2,0,0]=4 10380 B10R0.71 CCSCCNCCCCO 2230a_100000750430_100000757381 [1,1,0,0,0,0|2,0,0]=4 10381 B10R0.71 CCSCCNCCCCO 34a_100000750430_100000757381 [1,1,0,0,0,0|2,0,0]=4 10382 B10R0.71 CCSCCNCCCOC 2230a_100000106463_100000740836 [1,1,0,0,0,0|2,0,0]=4 10383 B10R0.71 CCSCCNCCCOC 34a_100150723488_100000757381 [1,1,0,0,0,0|2,0,0]=4 10384 B10R0.71 CCSCCNCCCSC 2230a_100000749238_100000757381 [1,1,0,0,0,0|2,0,0]=4 10385 B10R0.71 CCSCCNCCSCC 2230a_100000106463_100000757381 [1,1,0,0,0,0|2,0,0]=4 10386 B10R0.71 CCSCCOCCCCBr 34a_100011216708_100000757381 [1,1,0,0,0,0|2,0,0]=4 10387 B10R0.71 CCSCCOCCCCCl 34a_100000210776_100000757381 [1,1,0,0,0,0|2,0,0]=4 10388 B10R0.71 CCSCCOCCCCCl 7a_100000210776_100000757381 [1,1,0,0,0,0|2,0,0]=4 10389 B10R0.71 CCSCCOCCCCF 34a_100000212035_100000729493 [1,1,0,0,0,0|2,0,0]=4 10390 B10R0.71 CCSCCOCCCCF 34a_100011995726_100000757381 [1,1,0,0,0,0|2,0,0]=4 10391 B10R0.71 CCSCCOCCCCF 7a_100000212035_100000729493 [1,1,0,0,0,0|2,0,0]=4 10392 B10R0.71 CCSCCOCCCCF 7a_100011995726_100000757381 [1,1,0,0,0,0|2,0,0]=4 10393 B10R0.71 CCSCCOCCCCI 34a_200012148704_100000757381 [1,1,0,0,0,0|2,0,0]=4 10394 B10R0.71 CCSCCOCCCCN 34a_100000750430_100000757381 [1,1,0,0,0,0|2,0,0]=4 10395 B10R0.71 CCSCCOCCCCO 34a_100000212035_100011216708 [1,1,0,0,0,0|2,0,0]=4 10396 B10R0.71 CCSCCOCCCCO 7a_100000212035_100000210776 [1,1,0,0,0,0|2,0,0]=4 10397 B10R0.71 CCSCCOCCCNC 34a_100000213112_100000757381 [1,1,0,0,0,0|2,0,0]=4 10398 B10R0.71 CCSCCOCCCOC 34a_100000212035_100000740836 [1,1,0,0,0,0|2,0,0]=4 10399 B10R0.71 CCSCCOCCCOC 34a_100000740835_100000757381 [1,1,0,0,0,0|2,0,0]=4 10400 B10R0.71 CCSCCOCCCOC 7a_100000212035_100000740836 [1,1,0,0,0,0|2,0,0]=4 10401 B10R0.71 CCSCCOCCCSC 34a_100000690336_100000757381 [1,1,0,0,0,0|2,0,0]=4 10402 B10R0.71 CCSCCOCCCSC 7a_100000690336_100000757381 [1,1,0,0,0,0|2,0,0]=4 10403 B10R0.71 CCSCCOCCSCC 34a_100000212035_100000757381 [1,1,0,0,0,0|2,0,0]=4 10404 B10R0.71 CCSCCOCCSCC 7a_100000212035_100000757381 [1,1,0,0,0,0|2,0,0]=4 10405 B10R0.71 CCSCCSCCCCF 62a_100000729493_100000757381 [1,1,0,0,0,0|2,0,0]=4 10406 B10R0.71 CCSCCSCCCCF 62a_100000757381_100000729493 [1,1,0,0,0,0|2,0,0]=4 10407 B10R0.71 CCSCCSCCCCO 62a_100000210776_100000757381 [1,1,0,0,0,0|2,0,0]=4 10408 B10R0.71 CCSCCSCCCCO 62a_100000757381_100000210776 [1,1,0,0,0,0|2,0,0]=4 10409 B10R0.71 CCSCCSCCCOC 62a_100000709357_100000757381 [1,1,0,0,0,0|2,0,0]=4 10410 B10R0.71 CCSCCSCCCOC 62a_100000757381_100000709357 [1,1,0,0,0,0|2,0,0]=4 10411 B10R0.71 CCSCCSCCSCC 62a_100000757381_100000757381 [1,1,0,0,0,0|2,0,0]=4 10412 B10R0.71 CNCCCCCCCCO 2230a_102515433106_200000210301 [1,1,0,0,0,0|1,0,0]=3 10413 B10R0.71 CNCCCCCCCCO 2230a_106832991635_100000033203 [1,1,0,0,0,0|1,0,0]=3 10414 B10R0.71 CNCCCCCCCCO 34a_100102657272_100000033203 [1,1,0,0,0,0|1,0,0]=3 10415 B10R0.71 CNCCCCCCCCO 34a_102515433106_200000210301 [1,1,0,0,0,0|1,0,0]=3 10416 B10R0.71 CNCCCCCCCCO 7a_106832991635_100000033203 [1,1,0,0,0,0|1,0,0]=3 10417 B10R0.71 CNCCCCCOCCF 34a_100000722520_100011217306 [1,1,0,0,0,0|2,0,0]=4 10418 B10R0.71 CNCCCCCOCCO 34a_100000722520_100000211926 [1,1,0,0,0,0|2,0,0]=4 10419 B10R0.71 CNCCCCCOCSC 34a_100000722520_100011218213 [1,1,0,0,0,0|2,0,0]=4 10420 B10R0.71 CNCCCOCCCCF 34a_100000213112_100000729493 [1,1,0,0,0,0|2,0,0]=4 10421 B10R0.71 CNCCCOCCCCO 34a_100000213112_100011216708 [1,1,0,0,0,0|2,0,0]=4 10422 B10R0.71 CNCCCOCCCOC 34a_100000213112_100000740836 [1,1,0,0,0,0|2,0,0]=4 10423 B10R0.71 COCCCCCCCCBr 34a_100009813846_200000210301 [1,1,0,0,0,0|1,0,0]=3 10424 B10R0.71 COCCCCCCCCBr 7a_100009813846_200000210301 [1,1,0,0,0,0|1,0,0]=3 10425 B10R0.71 COCCCCCCCCCl 34a_100000033203_200000210301 [1,1,0,0,0,0|1,0,0]=3 10426 B10R0.71 COCCCCCCCCCl 7a_100000033203_200000210301 [1,1,0,0,0,0|1,0,0]=3 10427 B10R0.71 COCCCCCCCCN 34a_102515433106_200000210301 [1,1,0,0,0,0|1,0,0]=3 10428 B10R0.71 COCCCCCCCCO 34a_100138415774_100000033203 [1,1,0,0,0,0|1,0,0]=3 10429 B10R0.71 COCCCCCCOCF 34a_200012092642_100015361967 [1,1,0,0,0,0|2,0,0]=4 10430 B10R0.71 COCCCCCCOCF 7a_200012092642_100015361967 [1,1,0,0,0,0|2,0,0]=4 10431 B10R0.71 COCCCCCCSCF 62a_100011998445_100015361967 [1,1,0,0,0,0|2,0,0]=4 10432 B10R0.71 COCCCCCCSCF 62a_100015361967_100011998445 [1,1,0,0,0,0|2,0,0]=4 10433 B10R0.71 COCCCCCNCCF 2230a_100000747528_100011217306 [1,1,0,0,0,0|2,0,0]=4 10434 B10R0.71 COCCCCCNCCF 34a_100000747528_100011217306 [1,1,0,0,0,0|2,0,0]=4 10435 B10R0.71 COCCCCCNCCN 34a_103619048469_200000210301 [1,1,0,0,0,0|2,0,0]=4 10436 B10R0.71 COCCCCCNCCO 2230a_100000747528_100000211926 [1,1,0,0,0,0|2,0,0]=4 10437 B10R0.71 COCCCCCNCCO 34a_100000747528_100000211926 [1,1,0,0,0,0|2,0,0]=4 10438 B10R0.71 COCCCCCNCOC 2230a_100000747528_100000766300 [1,1,0,0,0,0|2,0,0]=4 10439 B10R0.71 COCCCCCNCSC 2230a_100000747528_100011218213 [1,1,0,0,0,0|2,0,0]=4 10440 B10R0.71 COCCCCCNCSC 34a_100000747528_100011218213 [1,1,0,0,0,0|2,0,0]=4 10441 B10R0.71 COCCCCNCCCF 2230a_100015189416_100000730899 [1,1,0,0,0,0|2,0,0]=4 10442 B10R0.71 COCCCCNCCCF 34a_100015189416_100000755781 [1,1,0,0,0,0|2,0,0]=4 10443 B10R0.71 COCCCCNCCOC 2230a_100000209980_100000730899 [1,1,0,0,0,0|2,0,0]=4 10444 B10R0.71 COCCCCNCCSC 2230a_100020590264_100000730899 [1,1,0,0,0,0|2,0,0]=4 10445 B10R0.71 COCCCCOCCCBr 34a_100011217188_100000755781 [1,1,0,0,0,0|2,0,0]=4 10446 B10R0.71 COCCCCOCCCCl 34a_100000230001_100000755781 [1,1,0,0,0,0|2,0,0]=4 10447 B10R0.71 COCCCCOCCCF 34a_100000740925_100011934791 [1,1,0,0,0,0|2,0,0]=4 10448 B10R0.71 COCCCCOCCCF 34a_100000759539_100000755781 [1,1,0,0,0,0|2,0,0]=4 10449 B10R0.71 COCCCCOCCCN 34a_100000182051_100000755781 [1,1,0,0,0,0|2,0,0]=4 10450 B10R0.71 COCCCCOCCCO 34a_100000740925_100000230001 [1,1,0,0,0,0|2,0,0]=4 10451 B10R0.71 COCCCCOCCOC 34a_100000210237_100000755781 [1,1,0,0,0,0|2,0,0]=4 10452 B10R0.71 COCCCCOCCOC 34a_100000740925_100011201679 [1,1,0,0,0,0|2,0,0]=4 10453 B10R0.71 COCCCCOCCSC 34a_100000230434_100000755781 [1,1,0,0,0,0|2,0,0]=4 10454 B10R0.71 COCCCCOCCSC 34a_100000740925_100000212216 [1,1,0,0,0,0|2,0,0]=4 10455 B10R0.71 COCCCCOCCSC 7a_100000230434_100000730899 [1,1,0,0,0,0|2,0,0]=4 10456 B10R0.71 COCCCCSCCCF 62a_100000730899_100011934791 [1,1,0,0,0,0|2,0,0]=4 10457 B10R0.71 COCCCCSCCCF 62a_100011934791_100000730899 [1,1,0,0,0,0|2,0,0]=4 10458 B10R0.71 COCCCCSCCCO 62a_100000730899_100011215043 [1,1,0,0,0,0|2,0,0]=4 10459 B10R0.71 COCCCCSCCCO 62a_100011215043_100000730899 [1,1,0,0,0,0|2,0,0]=4 10460 B10R0.71 COCCCCSCCOC 62a_100000233755_100000730899 [1,1,0,0,0,0|2,0,0]=4 10461 B10R0.71 COCCCCSCCOC 62a_100000730899_100000233755 [1,1,0,0,0,0|2,0,0]=4 10462 B10R0.71 COCCCCSCCSC 62a_100000212216_100000730899 [1,1,0,0,0,0|2,0,0]=4 10463 B10R0.71 COCCCCSCCSC 62a_100000730899_100000751147 [1,1,0,0,0,0|2,0,0]=4 10464 B10R0.71 COCCCNCCCCF 34a_100150723488_100000729493 [1,1,0,0,0,0|2,0,0]=4 10465 B10R0.71 COCCCNCCCCO 2230a_100000750430_100000740836 [1,1,0,0,0,0|2,0,0]=4 10466 B10R0.71 COCCCNCCCCO 34a_100000750430_100000740836 [1,1,0,0,0,0|2,0,0]=4 10467 B10R0.71 COCCCNCCCCO 34a_100150723488_100011216708 [1,1,0,0,0,0|2,0,0]=4 10468 B10R0.71 COCCCNCCCOC 34a_100150723488_100000740836 [1,1,0,0,0,0|2,0,0]=4 10469 B10R0.71 COCCCNCCCSC 2230a_100000749238_100000740836 [1,1,0,0,0,0|2,0,0]=4 10470 B10R0.71 COCCCOCCCCBr 34a_100011216708_100000740836 [1,1,0,0,0,0|2,0,0]=4 10471 B10R0.71 COCCCOCCCCCl 34a_100000210776_100000740836 [1,1,0,0,0,0|2,0,0]=4 10472 B10R0.71 COCCCOCCCCCl 7a_100000210776_100000740836 [1,1,0,0,0,0|2,0,0]=4 10473 B10R0.71 COCCCOCCCCF 34a_100000740835_100000729493 [1,1,0,0,0,0|2,0,0]=4 10474 B10R0.71 COCCCOCCCCF 34a_100011995726_100000740836 [1,1,0,0,0,0|2,0,0]=4 10475 B10R0.71 COCCCOCCCCF 7a_100011995726_100000740836 [1,1,0,0,0,0|2,0,0]=4 10476 B10R0.71 COCCCOCCCCI 34a_200012148704_100000740836 [1,1,0,0,0,0|2,0,0]=4 10477 B10R0.71 COCCCOCCCCN 34a_100000750430_100000740836 [1,1,0,0,0,0|2,0,0]=4 10478 B10R0.71 COCCCOCCCCO 34a_100000740835_100011216708 [1,1,0,0,0,0|2,0,0]=4 10479 B10R0.71 COCCCOCCCOC 34a_100000740835_100000740836 [1,1,0,0,0,0|2,0,0]=4 10480 B10R0.71 COCCCOCCCOC 34a_200011215475_200000210301 [1,1,0,0,0,0|2,0,0]=4 10481 B10R0.71 COCCCOCCCOC 7a_200011215475_200000210301 [1,1,0,0,0,0|2,0,0]=4 10482 B10R0.71 COCCCOCCCO[13CH3] 34a_200011215475_200025704644 [1,1,0,0,0,0|2,0,0]=4 10483 B10R0.71 COCCCOCCCO[13CH3] 7a_200011215475_200025704644 [1,1,0,0,0,0|2,0,0]=4 10484 B10R0.71 COCCCOCCCSC 34a_100000690336_100000740836 [1,1,0,0,0,0|2,0,0]=4 10485 B10R0.71 COCCCOCCCSC 7a_100000690336_100000740836 [1,1,0,0,0,0|2,0,0]=4 10486 B10R0.71 COCCCSCCCCF 62a_100000709357_100000729493 [1,1,0,0,0,0|2,0,0]=4 10487 B10R0.71 COCCCSCCCCF 62a_100000729493_100000709357 [1,1,0,0,0,0|2,0,0]=4 10488 B10R0.71 COCCCSCCCCO 62a_100000210776_100000709357 [1,1,0,0,0,0|2,0,0]=4 10489 B10R0.71 COCCCSCCCCO 62a_100000709357_100000210776 [1,1,0,0,0,0|2,0,0]=4 10490 B10R0.71 COCCCSCCCOC 62a_100000709357_100000709357 [1,1,0,0,0,0|2,0,0]=4 10491 B10R0.71 COCCNCCCCCF 2230a_100000209980_100000729378 [1,1,0,0,0,0|2,0,0]=4 10492 B10R0.71 COCCNCCCCCO 2230a_100000209980_100000746330 [1,1,0,0,0,0|2,0,0]=4 10493 B10R0.71 COCCNCCCCCO 2230a_100000762737_100011201679 [1,1,0,0,0,0|2,0,0]=4 10494 B10R0.71 COCCNCCCCCO 34a_100000762737_100011201679 [1,1,0,0,0,0|2,0,0]=4 10495 B10R0.71 COCCOCCCCCBr 34a_100000746331_100011201679 [1,1,0,0,0,0|2,0,0]=4 10496 B10R0.71 COCCOCCCCCBr 7a_100000746331_100000233755 [1,1,0,0,0,0|2,0,0]=4 10497 B10R0.71 COCCOCCCCCCl 34a_100000746330_100011201679 [1,1,0,0,0,0|2,0,0]=4 10498 B10R0.71 COCCOCCCCCCl 7a_100000746330_100000233755 [1,1,0,0,0,0|2,0,0]=4 10499 B10R0.71 COCCOCCCCCF 34a_100000210237_100000729378 [1,1,0,0,0,0|2,0,0]=4 10500 B10R0.71 COCCOCCCCCI 34a_200012148887_100011201679 [1,1,0,0,0,0|2,0,0]=4 10501 B10R0.71 COCCOCCCCCI 7a_200012148887_100000233755 [1,1,0,0,0,0|2,0,0]=4 10502 B10R0.71 COCCOCCCCCN 34a_100000762737_100011201679 [1,1,0,0,0,0|2,0,0]=4 10503 B10R0.71 COCCOCCCCCO 34a_100000210237_100000746330 [1,1,0,0,0,0|2,0,0]=4 10504 B10R0.71 COCCOCCCCSC 34a_100011217163_100011201679 [1,1,0,0,0,0|2,0,0]=4 10505 B10R0.71 COCCOCCCCSC 7a_100011217163_100000233755 [1,1,0,0,0,0|2,0,0]=4 10506 B10R0.71 COCCSCCCCCF 62a_100000233755_100000729378 [1,1,0,0,0,0|2,0,0]=4 10507 B10R0.71 COCCSCCCCCF 62a_100000729378_100000233755 [1,1,0,0,0,0|2,0,0]=4 10508 B10R0.71 COCCSCCCCCO 62a_100000233755_100000746330 [1,1,0,0,0,0|2,0,0]=4 10509 B10R0.71 COCCSCCCCCO 62a_100000746330_100000233755 [1,1,0,0,0,0|2,0,0]=4 10510 B10R0.71 COCNCCCCCCO 2230a_100000686447_100000766300 [1,1,0,0,0,0|2,0,0]=4 10511 B10R0.71 COCSCCCCCCF 62a_100000766300_100015922095 [1,1,0,0,0,0|2,0,0]=4 10512 B10R0.71 COCSCCCCCCF 62a_100015922095_100000766300 [1,1,0,0,0,0|2,0,0]=4 10513 B10R0.71 COCSCCCCCCO 62a_100000766143_100000766300 [1,1,0,0,0,0|2,0,0]=4 10514 B10R0.71 COCSCCCCCCO 62a_100000766300_100000766143 [1,1,0,0,0,0|2,0,0]=4 10515 B10R0.71 CSCCCCCCCCO 62a_100000033203_200000210301 [1,1,0,0,0,0|1,0,0]=3 10516 B10R0.71 CSCCCCCCCCO 62a_200000210301_100000033203 [1,1,0,0,0,0|1,0,0]=3 10517 B10R0.71 CSCCCCOCCCF 34a_100011217163_100011934791 [1,1,0,0,0,0|2,0,0]=4 10518 B10R0.71 CSCCCCOCCCF 7a_100011217163_100011934791 [1,1,0,0,0,0|2,0,0]=4 10519 B10R0.71 CSCCCCOCCCO 34a_100011217163_100000230001 [1,1,0,0,0,0|2,0,0]=4 10520 B10R0.71 CSCCCCOCCCO 7a_100011217163_100011215043 [1,1,0,0,0,0|2,0,0]=4 10521 B10R0.71 CSCCCCOCCSC 34a_100011217163_100000212216 [1,1,0,0,0,0|2,0,0]=4 10522 B10R0.71 CSCCCCOCCSC 7a_100011217163_100000212216 [1,1,0,0,0,0|2,0,0]=4 10523 B10R0.71 CSCCCNCCCCF 2230a_100000749238_100000729493 [1,1,0,0,0,0|2,0,0]=4 10524 B10R0.71 CSCCCNCCCCO 2230a_100000749238_100000210776 [1,1,0,0,0,0|2,0,0]=4 10525 B10R0.71 CSCCCOCCCCF 34a_100000690336_100000729493 [1,1,0,0,0,0|2,0,0]=4 10526 B10R0.71 CSCCCOCCCCF 7a_100000690336_100000729493 [1,1,0,0,0,0|2,0,0]=4 10527 B10R0.71 CSCCCOCCCCO 34a_100000690336_100011216708 [1,1,0,0,0,0|2,0,0]=4 10528 B10R0.71 CSCCCOCCCCO 7a_100000690336_100000210776 [1,1,0,0,0,0|2,0,0]=4 10529 B10R0.71 CSCCNCCCCCF 2230a_100020590264_100000729378 [1,1,0,0,0,0|2,0,0]=4 10530 B10R0.71 CSCCNCCCCCO 2230a_100000762737_100000751147 [1,1,0,0,0,0|2,0,0]=4 10531 B10R0.71 CSCCNCCCCCO 2230a_100020590264_100000746330 [1,1,0,0,0,0|2,0,0]=4 10532 B10R0.71 CSCCNCCCCCO 34a_100000762737_100000212216 [1,1,0,0,0,0|2,0,0]=4 10533 B10R0.71 CSCCOCCCCCBr 34a_100000746331_100000212216 [1,1,0,0,0,0|2,0,0]=4 10534 B10R0.71 CSCCOCCCCCBr 7a_100000746331_100000212216 [1,1,0,0,0,0|2,0,0]=4 10535 B10R0.71 CSCCOCCCCCCl 34a_100000746330_100000212216 [1,1,0,0,0,0|2,0,0]=4 10536 B10R0.71 CSCCOCCCCCCl 7a_100000746330_100000212216 [1,1,0,0,0,0|2,0,0]=4 10537 B10R0.71 CSCCOCCCCCF 34a_100000230434_100000729378 [1,1,0,0,0,0|2,0,0]=4 10538 B10R0.71 CSCCOCCCCCF 7a_100000230434_100000729378 [1,1,0,0,0,0|2,0,0]=4 10539 B10R0.71 CSCCOCCCCCI 34a_200012148887_100000212216 [1,1,0,0,0,0|2,0,0]=4 10540 B10R0.71 CSCCOCCCCCI 7a_200012148887_100000212216 [1,1,0,0,0,0|2,0,0]=4 10541 B10R0.71 CSCCOCCCCCN 34a_100000762737_100000212216 [1,1,0,0,0,0|2,0,0]=4 10542 B10R0.71 CSCCOCCCCCO 34a_100000230434_100000746330 [1,1,0,0,0,0|2,0,0]=4 10543 B10R0.71 CSCCOCCCCCO 7a_100000230434_100000746330 [1,1,0,0,0,0|2,0,0]=4 10544 B10R0.71 CSCCSCCCCCF 62a_100000212216_100000729378 [1,1,0,0,0,0|2,0,0]=4 10545 B10R0.71 CSCCSCCCCCF 62a_100000729378_100000751147 [1,1,0,0,0,0|2,0,0]=4 10546 B10R0.71 CSCCSCCCCCO 62a_100000212216_100000746330 [1,1,0,0,0,0|2,0,0]=4 10547 B10R0.71 CSCCSCCCCCO 62a_100000746330_100000751147 [1,1,0,0,0,0|2,0,0]=4 10548 B10R0.71 CSCNCCCCCCO 2230a_100000686447_100011218213 [1,1,0,0,0,0|2,0,0]=4 10549 B10R0.71 CSCNCCCCCCO 34a_100000686447_100011218213 [1,1,0,0,0,0|2,0,0]=4 10550 B10R0.71 CSCOCCCCCCBr 34a_100011215345_100011218213 [1,1,0,0,0,0|2,0,0]=4 10551 B10R0.71 CSCOCCCCCCCl 34a_100000766143_100011218213 [1,1,0,0,0,0|2,0,0]=4 10552 B10R0.71 CSCOCCCCCCF 34a_100000732779_100011218213 [1,1,0,0,0,0|2,0,0]=4 10553 B10R0.71 CSCOCCCCCCN 34a_100000686447_100011218213 [1,1,0,0,0,0|2,0,0]=4 10554 B10R0.71 CSCSCCCCCCF 62a_100011218213_100015922095 [1,1,0,0,0,0|2,0,0]=4 10555 B10R0.71 CSCSCCCCCCF 62a_100015922095_100011218213 [1,1,0,0,0,0|2,0,0]=4 10556 B10R0.71 CSCSCCCCCCO 62a_100000766143_100011218213 [1,1,0,0,0,0|2,0,0]=4 10557 B10R0.71 CSCSCCCCCCO 62a_100011218213_100000766143 [1,1,0,0,0,0|2,0,0]=4 10558 B10R0.71 FCCCCCCNCCF 34a_100000724931_100015922095 [1,1,0,0,0,0|2,0,0]=4 10559 B10R0.71 FCCCCCCOCCBr 34a_100000211926_100015922095 [1,1,0,0,0,0|2,0,0]=4 10560 B10R0.71 FCCCCCCOCCF 34a_100000732779_100011217306 [1,1,0,0,0,0|2,0,0]=4 10561 B10R0.71 FCCCCCCOCCF 7a_100000732779_100011217306 [1,1,0,0,0,0|2,0,0]=4 10562 B10R0.71 FCCCCCCSCCF 62a_100011217306_100015922095 [1,1,0,0,0,0|2,0,0]=4 10563 B10R0.71 FCCCCCCSCCF 62a_100015922095_100011217306 [1,1,0,0,0,0|2,0,0]=4 10564 B10R0.71 FCCCCCNCCCF 2230a_100015189416_100000729378 [1,1,0,0,0,0|2,0,0]=4 10565 B10R0.71 FCCCCCNCCCF 34a_100015189416_100000729378 [1,1,0,0,0,0|2,0,0]=4 10566 B10R0.71 FCCCCCOCCCBr 34a_100011217188_100000729378 [1,1,0,0,0,0|2,0,0]=4 10567 B10R0.71 FCCCCCOCCCCl 34a_100000230001_100000729378 [1,1,0,0,0,0|2,0,0]=4 10568 B10R0.71 FCCCCCOCCCF 34a_100000759539_100000729378 [1,1,0,0,0,0|2,0,0]=4 10569 B10R0.71 FCCCCCSCCCF 62a_100000729378_100011934791 [1,1,0,0,0,0|2,0,0]=4 10570 B10R0.71 FCCCCCSCCCF 62a_100011934791_100000729378 [1,1,0,0,0,0|2,0,0]=4 10571 B10R0.71 FCCCCOCCCCBr 34a_100011216708_100000729493 [1,1,0,0,0,0|2,0,0]=4 10572 B10R0.71 FCCCCOCCCCCl 34a_100000210776_100000729493 [1,1,0,0,0,0|2,0,0]=4 10573 B10R0.71 FCCCCOCCCCCl 7a_100000210776_100000729493 [1,1,0,0,0,0|2,0,0]=4 10574 B10R0.71 FCCCCOCCCCF 34a_100011995726_100000729493 [1,1,0,0,0,0|2,0,0]=4 10575 B10R0.71 FCCCCOCCCCF 7a_100011995726_100000729493 [1,1,0,0,0,0|2,0,0]=4 10576 B10R0.71 FCCCCOCCCCI 34a_200012148704_100000729493 [1,1,0,0,0,0|2,0,0]=4 10577 B10R0.71 FCCCCSCCCCF 62a_100000729493_100000729493 [1,1,0,0,0,0|2,0,0]=4 10578 B10R0.71 FCCCOCCCCCBr 34a_100000746331_100011934791 [1,1,0,0,0,0|2,0,0]=4 10579 B10R0.71 FCCCOCCCCCBr 7a_100000746331_100011934791 [1,1,0,0,0,0|2,0,0]=4 10580 B10R0.71 FCCCOCCCCCCl 34a_100000746330_100011934791 [1,1,0,0,0,0|2,0,0]=4 10581 B10R0.71 FCCCOCCCCCCl 7a_100000746330_100011934791 [1,1,0,0,0,0|2,0,0]=4 10582 B10R0.71 FCCCOCCCCCI 34a_200012148887_100011934791 [1,1,0,0,0,0|2,0,0]=4 10583 B10R0.71 FCCCOCCCCCI 7a_200012148887_100011934791 [1,1,0,0,0,0|2,0,0]=4 10584 B10R0.71 FCCOCCCCCCBr 34a_100011215345_100011217306 [1,1,0,0,0,0|2,0,0]=4 10585 B10R0.71 FCCOCCCCCCBr 7a_100011215345_100011217306 [1,1,0,0,0,0|2,0,0]=4 10586 B10R0.71 FCCOCCCCCCCl 34a_100000766143_100011217306 [1,1,0,0,0,0|2,0,0]=4 10587 B10R0.71 FCCOCCCCCCCl 7a_100000766143_100011217306 [1,1,0,0,0,0|2,0,0]=4 10588 B10R0.71 FCOCCCCCCCBr 34a_100000760002_100015361967 [1,1,0,0,0,0|2,0,0]=4 10589 B10R0.71 FCOCCCCCCCBr 7a_100000760002_100015361967 [1,1,0,0,0,0|2,0,0]=4 10590 B10R0.71 NCCCCCCCOCF 34a_100011996573_100015361967 [1,1,0,0,0,0|2,0,0]=4 10591 B10R0.71 NCCCCCCOCCF 34a_100000686447_100011217306 [1,1,0,0,0,0|2,0,0]=4 10592 B10R0.71 NCCCCCCOCCO 34a_100000686447_100000211926 [1,1,0,0,0,0|2,0,0]=4 10593 B10R0.71 NCCCCCOCCCF 34a_100000762737_100011934791 [1,1,0,0,0,0|2,0,0]=4 10594 B10R0.71 NCCCCCOCCCO 34a_100000762737_100000230001 [1,1,0,0,0,0|2,0,0]=4 10595 B10R0.71 NCCCCOCCCCF 34a_100000750430_100000729493 [1,1,0,0,0,0|2,0,0]=4 10596 B10R0.71 NCCCCOCCCCO 34a_100000750430_100011216708 [1,1,0,0,0,0|2,0,0]=4 10597 B10R0.71 NCCCOCCCCCF 34a_100000182051_100000729378 [1,1,0,0,0,0|2,0,0]=4 10598 B10R0.71 NCCCOCCCCCO 34a_100000182051_100000746330 [1,1,0,0,0,0|2,0,0]=4 10599 B10R0.71 NCCOCCCCCCF 34a_100000210304_100015922095 [1,1,0,0,0,0|2,0,0]=4 10600 B10R0.71 NCCOCCCCCCO 34a_100000210304_100000766143 [1,1,0,0,0,0|2,0,0]=4 10601 B10R0.71 OCCCCCCCNCF 34a_100011996573_100015361967 [1,1,0,0,0,0|2,0,0]=4 10602 B10R0.71 OCCCCCCCSCF 62a_100000760002_100015361967 [1,1,0,0,0,0|2,0,0]=4 10603 B10R0.71 OCCCCCCCSCF 62a_100015361967_100000760002 [1,1,0,0,0,0|2,0,0]=4 10604 B10R0.71 OCCCCCCNCCF 2230a_100000686447_100011217306 [1,1,0,0,0,0|2,0,0]=4 10605 B10R0.71 OCCCCCCNCCF 34a_100000686447_100011217306 [1,1,0,0,0,0|2,0,0]=4 10606 B10R0.71 OCCCCCCNCCF 34a_100000724931_100000766143 [1,1,0,0,0,0|2,0,0]=4 10607 B10R0.71 OCCCCCCNCCO 2230a_100000686447_100000211926 [1,1,0,0,0,0|2,0,0]=4 10608 B10R0.71 OCCCCCCNCCO 2230a_100016997473_100000766143 [1,1,0,0,0,0|2,0,0]=4 10609 B10R0.71 OCCCCCCNCCO 34a_100000686447_100000211926 [1,1,0,0,0,0|2,0,0]=4 10610 B10R0.71 OCCCCCCNCCO 34a_100016990907_100000766143 [1,1,0,0,0,0|2,0,0]=4 10611 B10R0.71 OCCCCCCOCCBr 34a_100000211926_100000766143 [1,1,0,0,0,0|2,0,0]=4 10612 B10R0.71 OCCCCCCSCCF 62a_100000766143_100011217306 [1,1,0,0,0,0|2,0,0]=4 10613 B10R0.71 OCCCCCCSCCF 62a_100011217306_100000766143 [1,1,0,0,0,0|2,0,0]=4 10614 B10R0.71 OCCCCCCSCCO 62a_100000211926_100000766143 [1,1,0,0,0,0|2,0,0]=4 10615 B10R0.71 OCCCCCCSCCO 62a_100000766143_100000211926 [1,1,0,0,0,0|2,0,0]=4 10616 B10R0.71 OCCCCCNCCCF 2230a_100000762737_100011934791 [1,1,0,0,0,0|2,0,0]=4 10617 B10R0.71 OCCCCCNCCCF 2230a_100015189416_100000746330 [1,1,0,0,0,0|2,0,0]=4 10618 B10R0.71 OCCCCCNCCCF 34a_100000762737_100011934791 [1,1,0,0,0,0|2,0,0]=4 10619 B10R0.71 OCCCCCNCCCF 34a_100015189416_100000746330 [1,1,0,0,0,0|2,0,0]=4 10620 B10R0.71 OCCCCCNCCCO 2230a_100000762737_100000230001 [1,1,0,0,0,0|2,0,0]=4 10621 B10R0.71 OCCCCCNCCCO 34a_100000762737_100000230001 [1,1,0,0,0,0|2,0,0]=4 10622 B10R0.71 OCCCCCOCCCBr 34a_100011217188_100000746330 [1,1,0,0,0,0|2,0,0]=4 10623 B10R0.71 OCCCCCOCCCCl 34a_100000230001_100000746330 [1,1,0,0,0,0|2,0,0]=4 10624 B10R0.71 OCCCCCOCCCF 34a_100000759539_100000746330 [1,1,0,0,0,0|2,0,0]=4 10625 B10R0.71 OCCCCCSCCCF 62a_100000746330_100011934791 [1,1,0,0,0,0|2,0,0]=4 10626 B10R0.71 OCCCCCSCCCF 62a_100011934791_100000746330 [1,1,0,0,0,0|2,0,0]=4 10627 B10R0.71 OCCCCCSCCCO 62a_100000746330_100011215043 [1,1,0,0,0,0|2,0,0]=4 10628 B10R0.71 OCCCCCSCCCO 62a_100011215043_100000746330 [1,1,0,0,0,0|2,0,0]=4 10629 B10R0.71 OCCCCNCCCCF 2230a_100000750430_100000729493 [1,1,0,0,0,0|2,0,0]=4 10630 B10R0.71 OCCCCNCCCCF 34a_100000750430_100000729493 [1,1,0,0,0,0|2,0,0]=4 10631 B10R0.71 OCCCCNCCCCO 2230a_100000750430_100000210776 [1,1,0,0,0,0|2,0,0]=4 10632 B10R0.71 OCCCCNCCCCO 34a_100000750430_100011216708 [1,1,0,0,0,0|2,0,0]=4 10633 B10R0.71 OCCCCOCCCCBr 34a_100011216708_100011216708 [1,1,0,0,0,0|2,0,0]=4 10634 B10R0.71 OCCCCOCCCCCl 34a_100000210776_100011216708 [1,1,0,0,0,0|2,0,0]=4 10635 B10R0.71 OCCCCOCCCCCl 7a_100000210776_100000210776 [1,1,0,0,0,0|2,0,0]=4 10636 B10R0.71 OCCCCOCCCCF 34a_100011995726_100011216708 [1,1,0,0,0,0|2,0,0]=4 10637 B10R0.71 OCCCCOCCCCF 7a_100011995726_100000210776 [1,1,0,0,0,0|2,0,0]=4 10638 B10R0.71 OCCCCOCCCCI 34a_200012148704_100011216708 [1,1,0,0,0,0|2,0,0]=4 10639 B10R0.71 OCCCCSCCCCF 62a_100000210776_100000729493 [1,1,0,0,0,0|2,0,0]=4 10640 B10R0.71 OCCCCSCCCCF 62a_100000729493_100000210776 [1,1,0,0,0,0|2,0,0]=4 10641 B10R0.71 OCCCCSCCCCO 62a_100000210776_100000210776 [1,1,0,0,0,0|2,0,0]=4 10642 B10R0.71 OCCCOCCCCCBr 34a_100000746331_100000230001 [1,1,0,0,0,0|2,0,0]=4 10643 B10R0.71 OCCCOCCCCCBr 7a_100000746331_100011215043 [1,1,0,0,0,0|2,0,0]=4 10644 B10R0.71 OCCCOCCCCCCl 34a_100000746330_100000230001 [1,1,0,0,0,0|2,0,0]=4 10645 B10R0.71 OCCCOCCCCCCl 7a_100000746330_100011215043 [1,1,0,0,0,0|2,0,0]=4 10646 B10R0.71 OCCCOCCCCCI 34a_200012148887_100000230001 [1,1,0,0,0,0|2,0,0]=4 10647 B10R0.71 OCCCOCCCCCI 7a_200012148887_100011215043 [1,1,0,0,0,0|2,0,0]=4 10648 B10R0.71 OCCCSCCCCCF 62a_100000729378_100011215043 [1,1,0,0,0,0|2,0,0]=4 10649 B10R0.71 OCCCSCCCCCF 62a_100011215043_100000729378 [1,1,0,0,0,0|2,0,0]=4 10650 B10R0.71 OCCNCCCCCCF 2230a_100016997473_100015922095 [1,1,0,0,0,0|2,0,0]=4 10651 B10R0.71 OCCNCCCCCCF 34a_100016990907_100015922095 [1,1,0,0,0,0|2,0,0]=4 10652 B10R0.71 OCCOCCCCCCBr 34a_100011215345_100000211926 [1,1,0,0,0,0|2,0,0]=4 10653 B10R0.71 OCCOCCCCCCBr 7a_100011215345_100000211926 [1,1,0,0,0,0|2,0,0]=4 10654 B10R0.71 OCCOCCCCCCCl 34a_100000766143_100000211926 [1,1,0,0,0,0|2,0,0]=4 10655 B10R0.71 OCCOCCCCCCCl 7a_100000766143_100000211926 [1,1,0,0,0,0|2,0,0]=4 10656 B10R0.71 OCCOCCCCCCF 34a_100000732779_100000211926 [1,1,0,0,0,0|2,0,0]=4 10657 B10R0.71 OCCOCCCCCCF 7a_100000732779_100000211926 [1,1,0,0,0,0|2,0,0]=4 10658 B10R0.71 OCCSCCCCCCF 62a_100000211926_100015922095 [1,1,0,0,0,0|2,0,0]=4 10659 B10R0.71 OCCSCCCCCCF 62a_100015922095_100000211926 [1,1,0,0,0,0|2,0,0]=4 10660 B10R0.71 [13CH3]NCCCCCCCCO 2230a_102515433106_200025704644 [1,1,0,0,0,0|1,0,0]=3 10661 B10R0.71 [13CH3]NCCCCCCCCO 34a_102515433106_200025704644 [1,1,0,0,0,0|1,0,0]=3 10662 B10R0.71 [13CH3]OCCCCCCCCBr 34a_100009813846_200025704644 [1,1,0,0,0,0|1,0,0]=3 10663 B10R0.71 [13CH3]OCCCCCCCCBr 7a_100009813846_200025704644 [1,1,0,0,0,0|1,0,0]=3 10664 B10R0.71 [13CH3]OCCCCCCCCCl 34a_100000033203_200025704644 [1,1,0,0,0,0|1,0,0]=3 10665 B10R0.71 [13CH3]OCCCCCCCCCl 7a_100000033203_200025704644 [1,1,0,0,0,0|1,0,0]=3 10666 B10R0.71 [13CH3]OCCCCCCCCN 34a_102515433106_200025704644 [1,1,0,0,0,0|1,0,0]=3 10667 B10R0.71 [13CH3]OCCCCCNCCN 34a_103619048469_200025704644 [1,1,0,0,0,0|2,0,0]=4 10668 B10R0.71 [13CH3]SCCCCCCCCO 62a_100000033203_200025704644 [1,1,0,0,0,0|1,0,0]=3 10669 B10R0.71 [13CH3]SCCCCCCCCO 62a_200025704644_100000033203 [1,1,0,0,0,0|1,0,0]=3 10670 B10R0.91 CCCCC(=O)CCCCF 1458a_100000210183_100000729493 [1,1,0,0,0,0|1,0,1]=4 10671 B10R0.91 CCCCC(=O)CCCCO 1458a_100000210183_100000210776 [1,1,0,0,0,0|1,0,1]=4 10672 B10R0.91 CCCCC(=O)CCCCO 1458a_100000695505_100000210211 [1,1,0,0,0,0|1,0,1]=4 10673 B10R0.91 CCCCC(=O)CCCOC 1458a_100000210183_100000740836 [1,1,0,0,0,0|1,0,1]=4 10674 B10R0.91 CCCCC(=O)CCCOC 1458a_100000741012_100000210211 [1,1,0,0,0,0|1,0,1]=4 10675 B10R0.91 CCCCC(=O)CCCSC 1458a_100000173376_100000210211 [1,1,0,0,0,0|1,0,1]=4 10676 B10R0.91 CCCCC(=O)CCOCC 1458a_100000210183_100011215890 [1,1,0,0,0,0|1,0,1]=4 10677 B10R0.91 CCCCC(=O)CCOCC 1458a_100000749530_100000210211 [1,1,0,0,0,0|1,0,1]=4 10678 B10R0.91 CCCCC(=O)CCSCC 1458a_100000210183_100000757381 [1,1,0,0,0,0|1,0,1]=4 10679 B10R0.91 CCCCC(=O)CCSCC 1458a_100000230768_100000210211 [1,1,0,0,0,0|1,0,1]=4 10680 B10R0.91 CCCCC(=O)COCCC 1458a_100000745993_100000210211 [1,1,0,0,0,0|1,0,1]=4 10681 B10R0.91 CCCCC(=O)CSCCC 1458a_100000217233_100000210211 [1,1,0,0,0,0|1,0,1]=4 10682 B10R0.91 CCCCC(C)COCCC 34a_100011995851_100000210303 [1,1,0,0,0,0|1,0,0]=3 10683 B10R0.91 CCCCC(C)COCCC 7a_100011995851_100000210303 [1,1,0,0,0,0|1,0,0]=3 10684 B10R0.91 CCCCC(C)COCCF 34a_100011995851_100011217306 [1,1,0,0,0,0|2,0,0]=4 10685 B10R0.91 CCCCC(C)COCCF 7a_100011995851_100011217306 [1,1,0,0,0,0|2,0,0]=4 10686 B10R0.91 CCCCC(C)COCCO 34a_100011995851_100000211926 [1,1,0,0,0,0|2,0,0]=4 10687 B10R0.91 CCCCC(C)COCCO 7a_100011995851_100000211926 [1,1,0,0,0,0|2,0,0]=4 10688 B10R0.91 CCCCC(C)COCSC 34a_100011995851_100011218213 [1,1,0,0,0,0|2,0,0]=4 10689 B10R0.91 CCCCC(C)NCCCF 2230a_100000126638_100011934791 [1,1,0,0,0,0|2,0,0]=4 10690 B10R0.91 CCCCC(C)NCCCF 2230a_100015189416_200011215066 [1,1,0,0,0,0|2,0,0]=4 10691 B10R0.91 CCCCC(C)NCCCF 270004a_100015189416_100000210087 [1,1,0,0,0,0|2,0,0]=4 10692 B10R0.91 CCCCC(C)NCCCF 34a_100015189416_200011215066 [1,1,0,0,0,0|2,0,0]=4 10693 B10R0.91 CCCCC(C)NCCCO 2230a_100000126638_100000230001 [1,1,0,0,0,0|2,0,0]=4 10694 B10R0.91 CCCCC(C)NCCCO 270004a_100000182051_100000210087 [1,1,0,0,0,0|2,0,0]=4 10695 B10R0.91 CCCCC(C)NCCOC 2230a_100000126638_100011201679 [1,1,0,0,0,0|2,0,0]=4 10696 B10R0.91 CCCCC(C)NCCOC 2230a_100000209980_200011215066 [1,1,0,0,0,0|2,0,0]=4 10697 B10R0.91 CCCCC(C)NCCOC 270004a_100000209980_100000210087 [1,1,0,0,0,0|2,0,0]=4 10698 B10R0.91 CCCCC(C)NCCSC 2230a_100000126638_100000751147 [1,1,0,0,0,0|2,0,0]=4 10699 B10R0.91 CCCCC(C)NCCSC 2230a_100020590264_200011215066 [1,1,0,0,0,0|2,0,0]=4 10700 B10R0.91 CCCCC(C)NCCSC 270004a_100020590264_100000210087 [1,1,0,0,0,0|2,0,0]=4 10701 B10R0.91 CCCCC(C)OCCCBr 34a_100011217188_200011215066 [1,1,0,0,0,0|2,0,0]=4 10702 B10R0.91 CCCCC(C)OCCCCl 34a_100000230001_200011215066 [1,1,0,0,0,0|2,0,0]=4 10703 B10R0.91 CCCCC(C)OCCCF 34a_100000687866_100011934791 [1,1,0,0,0,0|2,0,0]=4 10704 B10R0.91 CCCCC(C)OCCCF 34a_100000759539_200011215066 [1,1,0,0,0,0|2,0,0]=4 10705 B10R0.91 CCCCC(C)OCCCF 7a_100000687866_100011934791 [1,1,0,0,0,0|2,0,0]=4 10706 B10R0.91 CCCCC(C)OCCCN 34a_100000182051_200011215066 [1,1,0,0,0,0|2,0,0]=4 10707 B10R0.91 CCCCC(C)OCCCO 34a_100000687866_100000230001 [1,1,0,0,0,0|2,0,0]=4 10708 B10R0.91 CCCCC(C)OCCCO 7a_100000687866_100011215043 [1,1,0,0,0,0|2,0,0]=4 10709 B10R0.91 CCCCC(C)OCCOC 34a_100000210237_200011215066 [1,1,0,0,0,0|2,0,0]=4 10710 B10R0.91 CCCCC(C)OCCOC 34a_100000687866_100011201679 [1,1,0,0,0,0|2,0,0]=4 10711 B10R0.91 CCCCC(C)OCCOC 7a_100000687866_100000233755 [1,1,0,0,0,0|2,0,0]=4 10712 B10R0.91 CCCCC(C)OCCSC 34a_100000230434_200011215066 [1,1,0,0,0,0|2,0,0]=4 10713 B10R0.91 CCCCC(C)OCCSC 34a_100000687866_100000212216 [1,1,0,0,0,0|2,0,0]=4 10714 B10R0.91 CCCCC(C)OCCSC 7a_100000230434_200011215066 [1,1,0,0,0,0|2,0,0]=4 10715 B10R0.91 CCCCC(C)OCCSC 7a_100000687866_100000212216 [1,1,0,0,0,0|2,0,0]=4 10716 B10R0.91 CCCCC(C)SCCCF 62a_100011934791_200011215066 [1,1,0,0,0,0|2,0,0]=4 10717 B10R0.91 CCCCC(C)SCCCF 62a_200011215066_100011934791 [1,1,0,0,0,0|2,0,0]=4 10718 B10R0.91 CCCCC(C)SCCCO 62a_100011215043_200011215066 [1,1,0,0,0,0|2,0,0]=4 10719 B10R0.91 CCCCC(C)SCCCO 62a_200011215066_100011215043 [1,1,0,0,0,0|2,0,0]=4 10720 B10R0.91 CCCCC(C)SCCOC 62a_100000233755_200011215066 [1,1,0,0,0,0|2,0,0]=4 10721 B10R0.91 CCCCC(C)SCCOC 62a_200011215066_100000233755 [1,1,0,0,0,0|2,0,0]=4 10722 B10R0.91 CCCCC(C)SCCSC 62a_100000212216_200011215066 [1,1,0,0,0,0|2,0,0]=4 10723 B10R0.91 CCCCC(C)SCCSC 62a_200011215066_100000751147 [1,1,0,0,0,0|2,0,0]=4 10724 B10R0.91 CCCCC(C)SCOCC 62a_100000739092_200011215066 [1,1,0,0,0,0|2,0,0]=4 10725 B10R0.91 CCCCC(C)SCOCC 62a_200011215066_100000739092 [1,1,0,0,0,0|2,0,0]=4 10726 B10R0.91 CCCCCC(=O)CCCC 1458a_100000210183_100000210326 [1,1,0,0,0,0|0,0,1]=3 10727 B10R0.91 CCCCCC(=O)CCCC 1458a_100000212188_100000210211 [1,1,0,0,0,0|0,0,1]=3 10728 B10R0.91 CCCCCC(=O)CCCF 1458a_100000212188_100011934791 [1,1,0,0,0,0|1,0,1]=4 10729 B10R0.91 CCCCCC(=O)CCCO 1458a_100000212188_100011215043 [1,1,0,0,0,0|1,0,1]=4 10730 B10R0.91 CCCCCC(=O)CCOC 1458a_100000212188_100000233755 [1,1,0,0,0,0|1,0,1]=4 10731 B10R0.91 CCCCCC(=O)CCOC 1458a_100000749529_100000210326 [1,1,0,0,0,0|1,0,1]=4 10732 B10R0.91 CCCCCC(=O)CCSC 1458a_100000174002_100000210326 [1,1,0,0,0,0|1,0,1]=4 10733 B10R0.91 CCCCCC(=O)CCSC 1458a_100000212188_100000751147 [1,1,0,0,0,0|1,0,1]=4 10734 B10R0.91 CCCCCC(=O)CNCC 2230a_100015525214_200012276598 [1,1,0,0,0,0|1,0,1]=4 10735 B10R0.91 CCCCCC(=O)COCC 1458a_100000211967_100000210326 [1,1,0,0,0,0|1,0,1]=4 10736 B10R0.91 CCCCCC(=O)COCC 34a_100121572206_200012276598 [1,1,0,0,0,0|1,0,1]=4 10737 B10R0.91 CCCCCC(=O)CSCC 1458a_100000230394_100000210326 [1,1,0,0,0,0|1,0,1]=4 10738 B10R0.91 CCCCCC(=O)CSCC 62a_100000210202_200012276598 [1,1,0,0,0,0|1,0,1]=4 10739 B10R0.91 CCCCCC(=O)CSCC 62a_200012276598_100000210202 [1,1,0,0,0,0|1,0,1]=4 10740 B10R0.91 CCCCCC(=O)NCCC 11a_100020643023_100000212188 [1,1,0,0,0,0|1,0,1]=4 10741 B10R0.91 CCCCCC(=O)NCCC 1626a_100020643023_100000212188 [1,1,0,0,0,0|1,0,1]=4 10742 B10R0.91 CCCCCC(=O)NCCC 240690a_100020643023_100000212188 [1,1,0,0,0,0|1,0,1]=4 10743 B10R0.91 CCCCCC(=O)NCCC 527a_100020643023_100000212188 [1,1,0,0,0,0|1,0,1]=4 10744 B10R0.91 CCCCCC(C)NCCC 2230a_100000211957_100000210303 [1,1,0,0,0,0|1,0,0]=3 10745 B10R0.91 CCCCCC(C)NCCC 270004a_100020643023_100000211708 [1,1,0,0,0,0|1,0,0]=3 10746 B10R0.91 CCCCCC(C)NCCF 2230a_100000211957_100011217306 [1,1,0,0,0,0|2,0,0]=4 10747 B10R0.91 CCCCCC(C)NCCF 34a_100000724931_200011218191 [1,1,0,0,0,0|2,0,0]=4 10748 B10R0.91 CCCCCC(C)NCCO 2230a_100000211957_100000211926 [1,1,0,0,0,0|2,0,0]=4 10749 B10R0.91 CCCCCC(C)NCCO 2230a_100016997473_200011218191 [1,1,0,0,0,0|2,0,0]=4 10750 B10R0.91 CCCCCC(C)NCCO 270004a_100000210304_100000211708 [1,1,0,0,0,0|2,0,0]=4 10751 B10R0.91 CCCCCC(C)NCCO 34a_100016990907_200011218191 [1,1,0,0,0,0|2,0,0]=4 10752 B10R0.91 CCCCCC(C)NCOC 2230a_100000211957_100000766300 [1,1,0,0,0,0|2,0,0]=4 10753 B10R0.91 CCCCCC(C)NCSC 2230a_100000211957_100011218213 [1,1,0,0,0,0|2,0,0]=4 10754 B10R0.91 CCCCCC(C)OCCBr 34a_100000211926_200011218191 [1,1,0,0,0,0|2,0,0]=4 10755 B10R0.91 CCCCCC(C)OCCC 34a_100000210258_200011218191 [1,1,0,0,0,0|1,0,0]=3 10756 B10R0.91 CCCCCC(C)OCCC 34a_100011215632_100000210303 [1,1,0,0,0,0|1,0,0]=3 10757 B10R0.91 CCCCCC(C)OCCC 7a_100011215632_100000210303 [1,1,0,0,0,0|1,0,0]=3 10758 B10R0.91 CCCCCC(C)OCCF 34a_100011215632_100011217306 [1,1,0,0,0,0|2,0,0]=4 10759 B10R0.91 CCCCCC(C)OCCF 7a_100011215632_100011217306 [1,1,0,0,0,0|2,0,0]=4 10760 B10R0.91 CCCCCC(C)OCCN 34a_100000210304_200011218191 [1,1,0,0,0,0|2,0,0]=4 10761 B10R0.91 CCCCCC(C)OCCO 34a_100011215632_100000211926 [1,1,0,0,0,0|2,0,0]=4 10762 B10R0.91 CCCCCC(C)OCCO 7a_100011215632_100000211926 [1,1,0,0,0,0|2,0,0]=4 10763 B10R0.91 CCCCCC(C)OCSC 34a_100011215632_100011218213 [1,1,0,0,0,0|2,0,0]=4 10764 B10R0.91 CCCCCC(C)SCCC 62a_100000210303_200011218191 [1,1,0,0,0,0|1,0,0]=3 10765 B10R0.91 CCCCCC(C)SCCC 62a_200011218191_100000210303 [1,1,0,0,0,0|1,0,0]=3 10766 B10R0.91 CCCCCC(C)SCCF 62a_100011217306_200011218191 [1,1,0,0,0,0|2,0,0]=4 10767 B10R0.91 CCCCCC(C)SCCF 62a_200011218191_100011217306 [1,1,0,0,0,0|2,0,0]=4 10768 B10R0.91 CCCCCC(C)SCCO 62a_100000211926_200011218191 [1,1,0,0,0,0|2,0,0]=4 10769 B10R0.91 CCCCCC(C)SCCO 62a_200011218191_100000211926 [1,1,0,0,0,0|2,0,0]=4 10770 B10R0.91 CCCCCC(C)SCOC 62a_100000766300_200011218191 [1,1,0,0,0,0|2,0,0]=4 10771 B10R0.91 CCCCCC(C)SCOC 62a_200011218191_100000766300 [1,1,0,0,0,0|2,0,0]=4 10772 B10R0.91 CCCCCC(C)SCSC 62a_100011218213_200011218191 [1,1,0,0,0,0|2,0,0]=4 10773 B10R0.91 CCCCCC(C)SCSC 62a_200011218191_100011218213 [1,1,0,0,0,0|2,0,0]=4 10774 B10R0.91 CCCCCN(C)CCCC 2230a_100000207549_100000210326 [1,1,0,0,0,0|1,0,0]=3 10775 B10R0.91 CCCCCN(C)CCCC 2230a_100000223495_100000210211 [1,1,0,0,0,0|1,0,0]=3 10776 B10R0.91 CCCCCN(C)CCCC 269982a_100000207549_100000210215 [1,1,0,0,0,0|1,0,0]=3 10777 B10R0.91 CCCCCN(C)CCCC 269982a_100000223495_100000210211 [1,1,0,0,0,0|1,0,0]=3 10778 B10R0.91 CCCCCN(C)CCCF 2230a_100000223495_100011934791 [1,1,0,0,0,0|2,0,0]=4 10779 B10R0.91 CCCCCN(C)CCCF 269982a_100000223495_100011934791 [1,1,0,0,0,0|2,0,0]=4 10780 B10R0.91 CCCCCN(C)CCCO 2230a_100000213112_100000210326 [1,1,0,0,0,0|2,0,0]=4 10781 B10R0.91 CCCCCN(C)CCCO 2230a_100000223495_100000230001 [1,1,0,0,0,0|2,0,0]=4 10782 B10R0.91 CCCCCN(C)CCCO 269982a_100000213112_100000210215 [1,1,0,0,0,0|2,0,0]=4 10783 B10R0.91 CCCCCN(C)CCCO 269982a_100000223495_100011215043 [1,1,0,0,0,0|2,0,0]=4 10784 B10R0.91 CCCCCN(C)CCOC 2230a_100000223495_100011201679 [1,1,0,0,0,0|2,0,0]=4 10785 B10R0.91 CCCCCN(C)CCOC 2230a_100000743101_100000210326 [1,1,0,0,0,0|2,0,0]=4 10786 B10R0.91 CCCCCN(C)CCOC 269982a_100000223495_100000233755 [1,1,0,0,0,0|2,0,0]=4 10787 B10R0.91 CCCCCN(C)CCOC 269982a_100000743101_100000210215 [1,1,0,0,0,0|2,0,0]=4 10788 B10R0.91 CCCCCN(C)CCSC 2230a_100000223495_100000751147 [1,1,0,0,0,0|2,0,0]=4 10789 B10R0.91 CCCCCN(C)CCSC 2230a_100000686725_100000210326 [1,1,0,0,0,0|2,0,0]=4 10790 B10R0.91 CCCCCN(C)CCSC 269982a_100000223495_100000212216 [1,1,0,0,0,0|2,0,0]=4 10791 B10R0.91 CCCCCN(C)CCSC 269982a_100000686725_100000210215 [1,1,0,0,0,0|2,0,0]=4 10792 B10R0.91 CCCCCN(C)COCC 269982a_100000223495_100000739092 [1,1,0,0,0,0|2,0,0]=4 10793 B10R0.91 CCCCN(C)CCCCF 2230a_100000207549_100000729493 [1,1,0,0,0,0|2,0,0]=4 10794 B10R0.91 CCCCN(C)CCCCF 269982a_100000207549_100000729493 [1,1,0,0,0,0|2,0,0]=4 10795 B10R0.91 CCCCN(C)CCCCO 2230a_100000207549_100000210776 [1,1,0,0,0,0|2,0,0]=4 10796 B10R0.91 CCCCN(C)CCCCO 2230a_100000717598_100000210211 [1,1,0,0,0,0|2,0,0]=4 10797 B10R0.91 CCCCN(C)CCCCO 2230a_200011216965_200000210301 [1,1,0,0,0,0|2,0,0]=4 10798 B10R0.91 CCCCN(C)CCCCO 269982a_100000207549_100000210776 [1,1,0,0,0,0|2,0,0]=4 10799 B10R0.91 CCCCN(C)CCCCO 269982a_100000717598_100000210211 [1,1,0,0,0,0|2,0,0]=4 10800 B10R0.91 CCCCN(C)CCCCO 269982a_200011216965_200000210301 [1,1,0,0,0,0|2,0,0]=4 10801 B10R0.91 CCCCN(C)CCCOC 2230a_100000207549_100000740836 [1,1,0,0,0,0|2,0,0]=4 10802 B10R0.91 CCCCN(C)CCCOC 2230a_100000224831_100000210211 [1,1,0,0,0,0|2,0,0]=4 10803 B10R0.91 CCCCN(C)CCCOC 269982a_100000207549_100000740836 [1,1,0,0,0,0|2,0,0]=4 10804 B10R0.91 CCCCN(C)CCCOC 269982a_100000224831_100000210211 [1,1,0,0,0,0|2,0,0]=4 10805 B10R0.91 CCCCN(C)CCOCC 2230a_100000207549_100011215890 [1,1,0,0,0,0|2,0,0]=4 10806 B10R0.91 CCCCN(C)CCOCC 269982a_100000207549_100011215890 [1,1,0,0,0,0|2,0,0]=4 10807 B10R0.91 CCCCN(C)CCSCC 2230a_100000207549_100000757381 [1,1,0,0,0,0|2,0,0]=4 10808 B10R0.91 CCCCN(C)CCSCC 269982a_100000207549_100000757381 [1,1,0,0,0,0|2,0,0]=4 10809 B10R0.91 CCCCN([13CH3])CCCCO 2230a_200011216965_200025704644 [1,1,0,0,0,0|2,0,0]=4 10810 B10R0.91 CCCCN([13CH3])CCCCO 269982a_200011216965_200025704644 [1,1,0,0,0,0|2,0,0]=4 10811 B10R0.91 CCCCNC(=O)CCCC 11a_100000102301_100000210183 [1,1,0,0,0,0|1,0,1]=4 10812 B10R0.91 CCCCNC(=O)CCCC 1626a_100000102301_100000210183 [1,1,0,0,0,0|1,0,1]=4 10813 B10R0.91 CCCCNC(=O)CCCC 240690a_100000102301_100000210183 [1,1,0,0,0,0|1,0,1]=4 10814 B10R0.91 CCCCNC(=O)CCCC 527a_100000102301_100000210183 [1,1,0,0,0,0|1,0,1]=4 10815 B10R0.91 CCCCNC(C)CCCC 2230a_100000102301_200011215066 [1,1,0,0,0,0|1,0,0]=3 10816 B10R0.91 CCCCNC(C)CCCC 2230a_100000126638_100000210211 [1,1,0,0,0,0|1,0,0]=3 10817 B10R0.91 CCCCNC(C)CCCC 270004a_100000102301_100000210087 [1,1,0,0,0,0|1,0,0]=3 10818 B10R0.91 CCCCNC(C)CCCC 7a_106832991798_200011215066 [1,1,0,0,0,0|1,0,0]=3 10819 B10R0.91 CCCCNC(C)CCOC 270004a_100000102301_100000742357 [1,1,0,0,0,0|2,0,0]=4 10820 B10R0.91 CCCCNC(C)CCSC 270004a_100000102301_100011217047 [1,1,0,0,0,0|2,0,0]=4 10821 B10R0.91 CCCCNC(C)CSCC 270004a_100000102301_200011216171 [1,1,0,0,0,0|2,0,0]=4 10822 B10R0.91 CCCCOC(C)CCCC 34a_100000210227_200011215066 [1,1,0,0,0,0|1,0,0]=3 10823 B10R0.91 CCCCOC(C)CCCC 34a_100000687866_100000210210 [1,1,0,0,0,0|1,0,0]=3 10824 B10R0.91 CCCCOC(C)CCCC 7a_100000210227_200011215066 [1,1,0,0,0,0|1,0,0]=3 10825 B10R0.91 CCCCOC(C)CCCC 7a_100000687866_100000210211 [1,1,0,0,0,0|1,0,0]=3 10826 B10R0.91 CCCCOC(C)CCCCl 34a_200000718107_100000210210 [1,1,0,0,0,0|2,0,0]=4 10827 B10R0.91 CCCCOC(C)CCCCl 7a_200000718107_100000210211 [1,1,0,0,0,0|2,0,0]=4 10828 B10R0.91 CCCCOC(C)COCC 34a_100000718985_100000210210 [1,1,0,0,0,0|2,0,0]=4 10829 B10R0.91 CCCCOC(C)COCC 7a_100000718985_100000210211 [1,1,0,0,0,0|2,0,0]=4 10830 B10R0.91 CCCCSC(C)CCCC 62a_100000210211_200011215066 [1,1,0,0,0,0|1,0,0]=3 10831 B10R0.91 CCCCSC(C)CCCC 62a_200011215066_100000210210 [1,1,0,0,0,0|1,0,0]=3 10832 B10R0.91 CCCC[C@H](N)COCCC 34a_100011934283_100000210303 [1,1,0,0,0,0|1,0,0]=3 10833 B10R0.91 CCCC[C@H](N)COCCF 34a_100011934283_100011217306 [1,1,0,0,0,0|2,0,0]=4 10834 B10R0.91 CCCC[C@H](N)COCCO 34a_100011934283_100000211926 [1,1,0,0,0,0|2,0,0]=4 10835 B10R0.91 CCCC[C@H](N)COCSC 34a_100011934283_100011218213 [1,1,0,0,0,0|2,0,0]=4 10836 B10R0.91 CCCNC(C)CCCSC 270004a_100020643023_100011399439 [1,1,0,0,0,0|2,0,0]=4 10837 B10R0.91 CCCNC(C)CCOCC 270004a_100020643023_200011216536 [1,1,0,0,0,0|2,0,0]=4 10838 B10R0.91 CCCNC(C)CSCCC 270004a_100020643023_100011343953 [1,1,0,0,0,0|2,0,0]=4 10839 B10R0.91 CCCNCC(C)OCCC 2230a_100015185124_100000210303 [1,1,0,0,0,0|2,0,0]=4 10840 B10R0.91 CCCNCC(C)OCCC 34a_100015185124_100000210303 [1,1,0,0,0,0|2,0,0]=4 10841 B10R0.91 CCCNCC(O)COCC 2230a_102515437182_100000210303 [1,1,0,0,0,0|2,0,0]=4 10842 B10R0.91 CCCNCC(O)COCC 34a_102515437182_100000210303 [1,1,0,0,0,0|2,0,0]=4 10843 B10R0.91 CCCNC[C@H](C)CCCO 2230a_100160569302_100000210303 [1,1,0,0,0,0|2,0,0]=4 10844 B10R0.91 CCCNC[C@H](C)CCCO 34a_100160569302_100000210303 [1,1,0,0,0,0|2,0,0]=4 10845 B10R0.91 CCCOC(C)CCCOC 34a_200011539412_100000210303 [1,1,0,0,0,0|2,0,0]=4 10846 B10R0.91 CCCOC(C)CCCOC 7a_200011539412_100000210303 [1,1,0,0,0,0|2,0,0]=4 10847 B10R0.91 CCCOC[C@@H](N)CCSC 34a_100011827619_100000210303 [1,1,0,0,0,0|2,0,0]=4 10848 B10R0.91 CCOC[C@@H](N)CCCCN 34a_100016993712_100000210202 [1,1,0,0,0,0|2,0,0]=4 10849 B10R0.18 CCC(O)CC(=O)CCCF 1458a_100011667805_100011934791 [1,1,0,0,0,0|1,0,1]=4 10850 B10R0.18 CCC(O)CC(=O)CCCO 1458a_100011667805_100011215043 [1,1,0,0,0,0|1,0,1]=4 10851 B10R0.18 CCC(O)CC(=O)CCOC 1458a_100000749529_100011218378 [1,1,0,0,0,0|1,0,1]=4 10852 B10R0.18 CCC(O)CC(=O)CCOC 1458a_100011667805_100000233755 [1,1,0,0,0,0|1,0,1]=4 10853 B10R0.18 CCC(O)CC(=O)CCSC 1458a_100000174002_100011218378 [1,1,0,0,0,0|1,0,1]=4 10854 B10R0.18 CCC(O)CC(=O)CCSC 1458a_100011667805_100000751147 [1,1,0,0,0,0|1,0,1]=4 10855 B10R0.18 CCC(O)CN(C)CCCO 2230a_100000213112_100011218378 [1,1,0,0,0,0|2,0,0]=4 10856 B10R0.18 CCC(O)CN(C)CCCO 269982a_100000213112_100011218378 [1,1,0,0,0,0|2,0,0]=4 10857 B10R0.18 CCC(O)CN(C)CCOC 2230a_100000743101_100011218378 [1,1,0,0,0,0|2,0,0]=4 10858 B10R0.18 CCC(O)CN(C)CCOC 269982a_100000743101_100011218378 [1,1,0,0,0,0|2,0,0]=4 10859 B10R0.18 CCC(O)CN(C)CCSC 2230a_100000686725_100011218378 [1,1,0,0,0,0|2,0,0]=4 10860 B10R0.18 CCC(O)CN(C)CCSC 269982a_100000686725_100011218378 [1,1,0,0,0,0|2,0,0]=4 10861 B10R0.18 CCCCC(=O)CC(C)CC 1458a_100000210183_100000748023 [1,1,0,0,0,0|1,0,1]=4 10862 B10R0.18 CCCCC(=O)CC(C)CC 1458a_100000708755_100000210211 [1,1,0,0,0,0|1,0,1]=4 10863 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100000210183_100011218378 [1,1,0,0,0,0|0,0,1]=3 10864 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100011667805_100000210211 [1,1,0,0,0,0|0,0,1]=3 10865 B10R0.18 CCCCC(=O)C[C@@H](C)CC 1458a_100000210183_100009816398 [1,1,0,0,0,0|1,0,1]=4 10866 B10R0.18 CCCCC(C)NC(C)CC 2230a_100000126638_100000758301 [1,1,0,0,0,0|2,0,0]=4 10867 B10R0.18 CCCCC(C)NC(C)CC 2230a_100000209981_200011215066 [1,1,0,0,0,0|2,0,0]=4 10868 B10R0.18 CCCCC(C)NC(C)CC 270004a_100000209981_100000210087 [1,1,0,0,0,0|2,0,0]=4 10869 B10R0.18 CCCCC(C)OC(C)CC 34a_100000687866_100011215416 [1,1,0,0,0,0|2,0,0]=4 10870 B10R0.18 CCCCC(C)OC(C)CC 7a_100000210228_200011215066 [1,1,0,0,0,0|2,0,0]=4 10871 B10R0.18 CCCCC(C)OC(C)CC 7a_100000687866_100000758301 [1,1,0,0,0,0|2,0,0]=4 10872 B10R0.18 CCCCC(C)SC(C)CC 62a_100000758301_200011215066 [1,1,0,0,0,0|2,0,0]=4 10873 B10R0.18 CCCCC(C)SC(C)CC 62a_200011215066_100000758301 [1,1,0,0,0,0|2,0,0]=4 10874 B10R0.18 CCCCN(C)CC(C)CC 2230a_100000207549_100000748023 [1,1,0,0,0,0|2,0,0]=4 10875 B10R0.18 CCCCN(C)CC(C)CC 2230a_100000753921_100000210211 [1,1,0,0,0,0|2,0,0]=4 10876 B10R0.18 CCCCN(C)CC(C)CC 269982a_100000207549_100000748023 [1,1,0,0,0,0|2,0,0]=4 10877 B10R0.18 CCCCN(C)CC(C)CC 269982a_100000753921_100000210211 [1,1,0,0,0,0|2,0,0]=4 10878 B10R0.18 CCCCN(C)CC(C)CC 270004a_100000207549_100000243153 [1,1,0,0,0,0|2,0,0]=4 10879 B10R0.18 CCCCN(C)CC(O)CC 2230a_100000207549_100011218378 [1,1,0,0,0,0|1,0,0]=3 10880 B10R0.18 CCCCN(C)CC(O)CC 269982a_100000207549_100011218378 [1,1,0,0,0,0|1,0,0]=3 10881 B10R0.18 CCCCN(C)CC(O)CO 2230a_100000207549_100011219619 [1,1,0,0,0,0|2,0,0]=4 10882 B10R0.18 CCCCN(C)CC(O)CO 2230a_100011216503_100000210211 [1,1,0,0,0,0|2,0,0]=4 10883 B10R0.18 CCCCN(C)CC(O)CO 269982a_100011216503_100000210211 [1,1,0,0,0,0|2,0,0]=4 10884 B10R0.18 CCCCN(C)C[C@@H](C)CC 2230a_100000207549_100009816398 [1,1,0,0,0,0|2,0,0]=4 10885 B10R0.18 CCCCN(C)C[C@@H](C)CC 269982a_100000207549_100009816398 [1,1,0,0,0,0|2,0,0]=4 10886 B10R0.18 CCCCN(C)C[C@@H](O)CF 2230a_100000207549_100015614560 [1,1,0,0,0,0|2,0,0]=4 10887 B10R0.18 CCCCN(C)C[C@@H](O)CO 2230a_100000207549_100009815848 [1,1,0,0,0,0|2,0,0]=4 10888 B10R0.18 CCCNC(=O)CC(O)CC 1626a_100020643023_100011667805 [1,1,0,0,0,0|1,0,1]=4 10889 B10R0.18 CCCNC(=O)CC(O)CC 240690a_100020643023_100011667805 [1,1,0,0,0,0|1,0,1]=4 10890 B10R0.18 CCCNC(C)CC(C)CC 2230a_100000763565_100000210303 [1,1,0,0,0,0|2,0,0]=4 10891 B10R0.18 CCCNC(C)CC(C)CC 270004a_100020643023_100011710205 [1,1,0,0,0,0|2,0,0]=4 10892 B10R0.18 CCOCC(=O)CC(O)CC 1458a_100000211967_100011218378 [1,1,0,0,0,0|1,0,1]=4 10893 B10R0.18 CCSCC(=O)CC(O)CC 1458a_100000230394_100011218378 [1,1,0,0,0,0|1,0,1]=4 10894 B10R0.41 C#CC(CC)OCCCCC 34a_100000758843_100000718602 [1,1,0,0,0,0|2,0,0]=4 10895 B10R0.41 C#CC(CC)OCCCCC 7a_100000758843_100000210326 [1,1,0,0,0,0|2,0,0]=4 10896 B10R0.41 C=CC(CC)OCCCCC 34a_100000766422_100000718602 [1,1,0,0,0,0|2,0,0]=4 10897 B10R0.41 C=CC(CC)OCCCCC 7a_100000766422_100000210326 [1,1,0,0,0,0|2,0,0]=4 10898 B10R0.41 C=CC(CCCCCC)OC 34a_200011215977_200000210301 [1,1,0,0,0,0|0,0,2]=4 10899 B10R0.41 C=CC(CCCCCC)OC 7a_200011215977_200000210301 [1,1,0,0,0,0|0,0,2]=4 10900 B10R0.41 C=CC(CCCCCC)O[13CH3] 34a_200011215977_200025704644 [1,1,0,0,0,0|0,0,2]=4 10901 B10R0.41 C=CC(CCCCCC)O[13CH3] 7a_200011215977_200025704644 [1,1,0,0,0,0|0,0,2]=4 10902 B10R0.41 CCC(COCCCF)OC 34a_100011934954_100011934791 [1,1,0,0,0,0|2,0,0]=4 10903 B10R0.41 CCC(COCCCF)OC 7a_100011934954_100011934791 [1,1,0,0,0,0|2,0,0]=4 10904 B10R0.41 CCC(COCCCO)OC 34a_100011934954_100000230001 [1,1,0,0,0,0|2,0,0]=4 10905 B10R0.41 CCC(COCCCO)OC 7a_100011934954_100011215043 [1,1,0,0,0,0|2,0,0]=4 10906 B10R0.41 CCC(COCCOC)OC 34a_100011934954_100011201679 [1,1,0,0,0,0|2,0,0]=4 10907 B10R0.41 CCC(COCCOC)OC 7a_100011934954_100000233755 [1,1,0,0,0,0|2,0,0]=4 10908 B10R0.41 CCC(COCCSC)OC 34a_100011934954_100000212216 [1,1,0,0,0,0|2,0,0]=4 10909 B10R0.41 CCC(COCCSC)OC 7a_100011934954_100000212216 [1,1,0,0,0,0|2,0,0]=4 10910 B10R0.41 CCCCCCC(CC)NC 270004a_106832991635_100011219640 [1,1,0,0,0,0|1,0,0]=3 10911 B10R0.41 CCCCCCC(CC)OC 34a_100011215785_200000210301 [1,1,0,0,0,0|0,0,0]=2 10912 B10R0.41 CCCCCCC(CC)OC 7a_100011215785_200000210301 [1,1,0,0,0,0|0,0,0]=2 10913 B10R0.41 CCCCCCC(CC)O[13CH3] 34a_100011215785_200025704644 [1,1,0,0,0,0|0,0,0]=2 10914 B10R0.41 CCCCCCC(CC)O[13CH3] 7a_100011215785_200025704644 [1,1,0,0,0,0|0,0,0]=2 10915 B10R0.41 CCCCCCN(CC)CC 2230a_100000724800_100000210314 [1,1,0,0,0,0|2,0,0]=4 10916 B10R0.41 CCCCCCN(CC)CC 269956a_100000042499_100000210757 [1,1,0,0,0,0|2,0,0]=4 10917 B10R0.41 CCCCCCN(CC)CC 269982a_100000724800_100000210757 [1,1,0,0,0,0|2,0,0]=4 10918 B10R0.41 CCCCCNC(CC)CC 2230a_100000199018_100000210326 [1,1,0,0,0,0|2,0,0]=4 10919 B10R0.41 CCCCCNC(CC)CC 270004a_100000209983_100000210860 [1,1,0,0,0,0|2,0,0]=4 10920 B10R0.41 CCCCCNC(CO)CO 2230a_100000759517_100000210326 [1,1,0,0,0,0|2,0,0]=4 10921 B10R0.41 CCCCCN[C@@H](CC)CO 2230a_100000709445_100000210326 [1,1,0,0,0,0|1,0,0]=3 10922 B10R0.41 CCCCCOC(CC)CC 7a_100000210253_100000210505 [1,1,0,0,0,0|2,0,0]=4 10923 B10R0.41 CCCCCOC(CC)CC 7a_100000688536_100000210326 [1,1,0,0,0,0|2,0,0]=4 10924 B10R0.41 CCCCCSC(CC)CC 62a_100000210326_100000210505 [1,1,0,0,0,0|2,0,0]=4 10925 B10R0.41 CCCCCSC(CC)CC 62a_100000210505_100000210326 [1,1,0,0,0,0|2,0,0]=4 10926 B10R0.41 CCCCNCC(CC)CC 2230a_100000102301_100011215472 [1,1,0,0,0,0|2,0,0]=4 10927 B10R0.41 CCCCNCC(CC)CC 2230a_100102946423_100000210211 [1,1,0,0,0,0|2,0,0]=4 10928 B10R0.41 CCCCNCC(CC)CC 269862a_100000102301_100000211137 [1,1,0,0,0,0|2,0,0]=4 10929 B10R0.41 CCCCNCC(CC)CC 270004a_100000102301_100000211137 [1,1,0,0,0,0|2,0,0]=4 10930 B10R0.41 CCCCNCC(CC)CC 7a_106832991798_100011215472 [1,1,0,0,0,0|2,0,0]=4 10931 B10R0.41 CCCCNCC(OC)OC 2230a_100000102301_100000751394 [1,1,0,0,0,0|2,0,0]=4 10932 B10R0.41 CCCCNCC(OC)OC 270004a_100000102301_100000752162 [1,1,0,0,0,0|2,0,0]=4 10933 B10R0.41 CCCCNCC(OC)OC 7a_106832991798_100000751394 [1,1,0,0,0,0|2,0,0]=4 10934 B10R0.41 CCCCOCC(CC)CC 34a_100000210227_100011215472 [1,1,0,0,0,0|2,0,0]=4 10935 B10R0.41 CCCCOCC(CC)CC 7a_100000210227_100011215472 [1,1,0,0,0,0|2,0,0]=4 10936 B10R0.41 CCCCOCC(CC)CC 7a_100000703878_100000210211 [1,1,0,0,0,0|2,0,0]=4 10937 B10R0.41 CCCCOCC(CC)OC 34a_100011934954_100000210210 [1,1,0,0,0,0|1,0,0]=3 10938 B10R0.41 CCCCOCC(CC)OC 7a_100011934954_100000210211 [1,1,0,0,0,0|1,0,0]=3 10939 B10R0.41 CCCCOCC(OC)OC 34a_100000210227_100000211822 [1,1,0,0,0,0|2,0,0]=4 10940 B10R0.41 CCCCOCC(OC)OC 34a_100011216393_100000210210 [1,1,0,0,0,0|2,0,0]=4 10941 B10R0.41 CCCCOCC(OC)OC 7a_100000210227_100000751394 [1,1,0,0,0,0|2,0,0]=4 10942 B10R0.41 CCCCSCC(CC)CC 62a_100000210211_100011215472 [1,1,0,0,0,0|2,0,0]=4 10943 B10R0.41 CCCCSCC(CC)CC 62a_100011215472_100000210210 [1,1,0,0,0,0|2,0,0]=4 10944 B10R0.41 CCCCSCC(OC)OC 62a_100000210211_100000751394 [1,1,0,0,0,0|2,0,0]=4 10945 B10R0.41 CCCCSCC(OC)OC 62a_100000751394_100000210210 [1,1,0,0,0,0|2,0,0]=4 10946 B10R0.41 CCCOCCC(OC)OC 34a_100000210258_100000139399 [1,1,0,0,0,0|2,0,0]=4 10947 B10R0.41 CCCSCCC(OC)OC 62a_100000139399_100000210303 [1,1,0,0,0,0|2,0,0]=4 10948 B10R0.41 CCCSCCC(OC)OC 62a_100000210303_100000139399 [1,1,0,0,0,0|2,0,0]=4 10949 B10R0.41 CCNCCCC(OC)OC 2230a_100015525214_100000069011 [1,1,0,0,0,0|2,0,0]=4 10950 B10R0.41 CCOCCCC(OC)OC 34a_100121572206_100000069011 [1,1,0,0,0,0|2,0,0]=4 10951 B10R0.41 CCOCCN[C@@H](CC)CO 2230a_100000709445_100011215890 [1,1,0,0,0,0|2,0,0]=4 10952 B10R0.41 CCSCCCC(OC)OC 62a_100000069011_100000210202 [1,1,0,0,0,0|2,0,0]=4 10953 B10R0.41 CCSCCCC(OC)OC 62a_100000210202_100000069011 [1,1,0,0,0,0|2,0,0]=4 10954 B10R0.41 CCSCCN[C@@H](CC)CO 2230a_100000709445_100000757381 [1,1,0,0,0,0|2,0,0]=4 10955 B10R0.41 CC[C@@H](CO)NCCCCF 2230a_100000709445_100000729493 [1,1,0,0,0,0|2,0,0]=4 10956 B10R0.41 CC[C@@H](CO)NCCCCO 2230a_100000709445_100000210776 [1,1,0,0,0,0|2,0,0]=4 10957 B10R0.41 CC[C@@H](CO)NCCCOC 2230a_100000709445_100000740836 [1,1,0,0,0,0|2,0,0]=4 10958 B10R0.59 CCC(=O)COCC(O)CC 34a_100000725409_100011218378 [1,1,0,0,0,0|1,0,1]=4 10959 B10R0.59 CCC(=O)CSCC(O)CC 62a_100000747405_100011218378 [1,1,0,0,0,0|1,0,1]=4 10960 B10R0.59 CCC(=O)CSCC(O)CC 62a_100011218378_100000747405 [1,1,0,0,0,0|1,0,1]=4 10961 B10R0.59 CCC(C)CCNC(C)CC 2230a_100020591266_100000758301 [1,1,0,0,0,0|2,0,0]=4 10962 B10R0.59 CCC(C)CCOC(C)CC 7a_100011215188_100000758301 [1,1,0,0,0,0|2,0,0]=4 10963 B10R0.59 CCC(C)CNCC(C)CC 2230a_100020588543_100000748023 [1,1,0,0,0,0|2,0,0]=4 10964 B10R0.59 CCC(C)CNCC(C)CC 270004a_100020588543_100000243153 [1,1,0,0,0,0|2,0,0]=4 10965 B10R0.59 CCC(C)CNCC(O)CC 2230a_100011218483_100000748023 [1,1,0,0,0,0|1,0,0]=3 10966 B10R0.59 CCC(C)CNCC(O)CC 2230a_100020588543_100011218378 [1,1,0,0,0,0|1,0,0]=3 10967 B10R0.59 CCC(C)CNCC(O)CC 270004a_100011218483_100000243153 [1,1,0,0,0,0|1,0,0]=3 10968 B10R0.59 CCC(C)CNCC(O)CO 2230a_100020588543_100011219619 [1,1,0,0,0,0|2,0,0]=4 10969 B10R0.59 CCC(C)CNC[C@@H](C)CC 2230a_100020588543_100009816398 [1,1,0,0,0,0|2,0,0]=4 10970 B10R0.59 CCC(C)CNC[C@@H](O)CF 2230a_100020588543_100015614560 [1,1,0,0,0,0|2,0,0]=4 10971 B10R0.59 CCC(C)CNC[C@@H](O)CO 2230a_100020588543_100009815848 [1,1,0,0,0,0|2,0,0]=4 10972 B10R0.59 CCC(C)CNC[C@H](O)CO 2230a_100020644852_100000748023 [1,1,0,0,0,0|2,0,0]=4 10973 B10R0.59 CCC(C)COC[C@@H](C)CC 7a_100009816381_100000748023 [1,1,0,0,0,0|2,0,0]=4 10974 B10R0.59 CCC(C)CSCC(C)CC 62a_100000748023_100000748023 [1,1,0,0,0,0|2,0,0]=4 10975 B10R0.59 CCC(C)CSCC(O)CC 62a_100000748023_100011218378 [1,1,0,0,0,0|1,0,0]=3 10976 B10R0.59 CCC(C)CSCC(O)CC 62a_100011218378_100000748023 [1,1,0,0,0,0|1,0,0]=3 10977 B10R0.59 CCC(C)CSCC(O)CO 62a_100000748023_100011219619 [1,1,0,0,0,0|2,0,0]=4 10978 B10R0.59 CCC(C)CSCC(O)CO 62a_100011219619_100000748023 [1,1,0,0,0,0|2,0,0]=4 10979 B10R0.59 CCC(C)CSC[C@@H](C)CC 62a_100000748023_100009816398 [1,1,0,0,0,0|2,0,0]=4 10980 B10R0.59 CCC(C)CSC[C@@H](C)CC 62a_100009816398_100000748023 [1,1,0,0,0,0|2,0,0]=4 10981 B10R0.59 CCC(C)CSC[C@@H](O)CF 62a_100000748023_100015614560 [1,1,0,0,0,0|2,0,0]=4 10982 B10R0.59 CCC(C)CSC[C@@H](O)CF 62a_100015614560_100000748023 [1,1,0,0,0,0|2,0,0]=4 10983 B10R0.59 CCC(C)CSC[C@@H](O)CO 62a_100000748023_100009815848 [1,1,0,0,0,0|2,0,0]=4 10984 B10R0.59 CCC(C)CSC[C@@H](O)CO 62a_100009815848_100000748023 [1,1,0,0,0,0|2,0,0]=4 10985 B10R0.59 CCC(O)CNCC(C)CO 34a_100000744482_100011218378 [1,1,0,0,0,0|2,0,0]=4 10986 B10R0.59 CCC(O)CNCC(O)CC 2230a_100011218483_100011218378 [1,1,0,0,0,0|1,0,0]=3 10987 B10R0.59 CCC(O)CNCC(O)CO 2230a_100011218483_100011219619 [1,1,0,0,0,0|2,0,0]=4 10988 B10R0.59 CCC(O)CNC[C@@H](C)CC 2230a_100011218483_100009816398 [1,1,0,0,0,0|1,0,0]=3 10989 B10R0.59 CCC(O)CNC[C@@H](C)CO 2230a_100011218483_100000059175 [1,1,0,0,0,0|2,0,0]=4 10990 B10R0.59 CCC(O)CNC[C@@H](C)OC 2230a_100020591295_100011218378 [1,1,0,0,0,0|2,0,0]=4 10991 B10R0.59 CCC(O)CNC[C@@H](F)CO 34a_100015665980_100011218378 [1,1,0,0,0,0|2,0,0]=4 10992 B10R0.59 CCC(O)CNC[C@@H](O)CF 2230a_100011218483_100015614560 [1,1,0,0,0,0|2,0,0]=4 10993 B10R0.59 CCC(O)CNC[C@@H](O)CO 2230a_100011218483_100009815848 [1,1,0,0,0,0|2,0,0]=4 10994 B10R0.59 CCC(O)CNC[C@H](O)CO 2230a_100020644852_100011218378 [1,1,0,0,0,0|2,0,0]=4 10995 B10R0.59 CCC(O)COCC(C)CN 34a_100000744482_100011218378 [1,1,0,0,0,0|2,0,0]=4 10996 B10R0.59 CCC(O)COCC(C)OC 34a_100000690652_100011218378 [1,1,0,0,0,0|2,0,0]=4 10997 B10R0.59 CCC(O)COCC(Cl)CCl 34a_100000033668_100011218378 [1,1,0,0,0,0|2,0,0]=4 10998 B10R0.59 CCC(O)COC[C@@H](C)CC 7a_100009816381_100011218378 [1,1,0,0,0,0|1,0,0]=3 10999 B10R0.59 CCC(O)COC[C@H](F)CN 34a_100015665980_100011218378 [1,1,0,0,0,0|2,0,0]=4 11000 B10R0.59 CCC(O)CSCC(O)CC 62a_100011218378_100011218378 [1,1,0,0,0,0|1,0,0]=3 11001 B10R0.59 CCC(O)CSCC(O)CO 62a_100011218378_100011219619 [1,1,0,0,0,0|2,0,0]=4 11002 B10R0.59 CCC(O)CSCC(O)CO 62a_100011219619_100011218378 [1,1,0,0,0,0|2,0,0]=4 11003 B10R0.59 CCC(O)CSC[C@@H](C)CC 62a_100009816398_100011218378 [1,1,0,0,0,0|1,0,0]=3 11004 B10R0.59 CCC(O)CSC[C@@H](C)CC 62a_100011218378_100009816398 [1,1,0,0,0,0|1,0,0]=3 11005 B10R0.59 CCC(O)CSC[C@@H](C)CO 62a_100000059175_100011218378 [1,1,0,0,0,0|2,0,0]=4 11006 B10R0.59 CCC(O)CSC[C@@H](C)CO 62a_100011218378_100000059175 [1,1,0,0,0,0|2,0,0]=4 11007 B10R0.59 CCC(O)CSC[C@@H](O)CF 62a_100011218378_100015614560 [1,1,0,0,0,0|2,0,0]=4 11008 B10R0.59 CCC(O)CSC[C@@H](O)CF 62a_100015614560_100011218378 [1,1,0,0,0,0|2,0,0]=4 11009 B10R0.59 CCC(O)CSC[C@@H](O)CO 62a_100009815848_100011218378 [1,1,0,0,0,0|2,0,0]=4 11010 B10R0.59 CCC(O)CSC[C@@H](O)CO 62a_100011218378_100009815848 [1,1,0,0,0,0|2,0,0]=4 11011 B10R0.59 CC[C@H](C)CNC[C@H](O)CO 2230a_100020644852_100009816398 [1,1,0,0,0,0|2,0,0]=4 11012 B10R0.59 CC[C@H](C)COCC(O)CO 7a_100009816381_100011219619 [1,1,0,0,0,0|2,0,0]=4 11013 B10R0.59 CC[C@H](C)COC[C@@H](C)CC 7a_100009816381_100009816398 [1,1,0,0,0,0|2,0,0]=4 11014 B10R0.59 CC[C@H](C)COC[C@@H](O)CF 7a_100009816381_100015614560 [1,1,0,0,0,0|2,0,0]=4 11015 B10R0.59 CC[C@H](C)COC[C@@H](O)CO 7a_100009816381_100009815848 [1,1,0,0,0,0|2,0,0]=4 11016 B10R0.59 CC[C@H](C)CSCC(O)CO 62a_100009816398_100011219619 [1,1,0,0,0,0|2,0,0]=4 11017 B10R0.59 CC[C@H](C)CSCC(O)CO 62a_100011219619_100009816398 [1,1,0,0,0,0|2,0,0]=4 11018 B10R0.59 CC[C@H](C)CSC[C@@H](C)CC 62a_100009816398_100009816398 [1,1,0,0,0,0|2,0,0]=4 11019 B10R0.59 CC[C@H](C)CSC[C@@H](O)CF 62a_100009816398_100015614560 [1,1,0,0,0,0|2,0,0]=4 11020 B10R0.59 CC[C@H](C)CSC[C@@H](O)CF 62a_100015614560_100009816398 [1,1,0,0,0,0|2,0,0]=4 11021 B10R0.59 CC[C@H](C)CSC[C@@H](O)CO 62a_100009815848_100009816398 [1,1,0,0,0,0|2,0,0]=4 11022 B10R0.59 CC[C@H](C)CSC[C@@H](O)CO 62a_100009816398_100009815848 [1,1,0,0,0,0|2,0,0]=4 11023 B10R0.62 CCCCCCC(C)(C)OC 7a_200011995690_200000210301 [1,1,0,0,0,0|2,0,0]=4 11024 B10R0.62 CCCCCCC(C)(C)O[13CH3] 7a_200011995690_200025704644 [1,1,0,0,0,0|2,0,0]=4 11025 B10R0.62 CCCCCNC(C)(C)CC 2230a_100000211385_100000210326 [1,1,0,0,0,0|2,0,0]=4 11026 B10R0.62 CCCCCOC(C)(C)CC 7a_100000210230_100000210326 [1,1,0,0,0,0|2,0,0]=4 11027 B10R0.62 CCCCCOC(C)(C)CC 7a_100000210253_100000210677 [1,1,0,0,0,0|2,0,0]=4 11028 B10R0.62 CCCCCSC(C)(C)CC 62a_100000032637_100000210326 [1,1,0,0,0,0|2,0,0]=4 11029 B10R0.62 CCCCCSC(C)(C)CC 62a_100000210326_100000032637 [1,1,0,0,0,0|2,0,0]=4 11030 B10R0.62 CCCCOCC(C)(C)CC 7a_100000765029_100000210211 [1,1,0,0,0,0|2,0,0]=4 11031 B10R0.83 CCC(O)C(=O)CCCCF 1458a_100011196387_100000729493 [1,1,0,0,0,0|1,0,1]=4 11032 B10R0.83 CCC(O)C(=O)CCCCO 1458a_100011196387_100000210776 [1,1,0,0,0,0|1,0,1]=4 11033 B10R0.83 CCC(O)C(=O)CCCOC 1458a_100011196387_100000740836 [1,1,0,0,0,0|1,0,1]=4 11034 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100000212188_100000758301 [1,1,0,0,0,0|1,0,1]=4 11035 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100011192722_100000210326 [1,1,0,0,0,0|1,0,1]=4 11036 B10R0.83 CCCCCC(=O)C(O)CC 1458a_100011196387_100000210326 [1,1,0,0,0,0|0,0,1]=3 11037 B10R0.83 CCCCCC(=O)C(O)CO 1458a_100011215603_100000210326 [1,1,0,0,0,0|1,0,1]=4 11038 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100000210414_200011218191 [1,1,0,0,0,0|0,0,2]=4 11039 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100011215998_100000210202 [1,1,0,0,0,0|0,0,2]=4 11040 B10R0.83 CCCCCC(C)N(C)CC 2230a_100000225621_200011218191 [1,1,0,0,0,0|2,0,0]=4 11041 B10R0.83 CCCCCC(C)N(C)CC 269982a_100000225621_200011218191 [1,1,0,0,0,0|2,0,0]=4 11042 B10R0.83 CCCCCN(C)C(C)CC 2230a_100000223495_100000758301 [1,1,0,0,0,0|2,0,0]=4 11043 B10R0.83 CCCCCN(C)C(C)CC 2230a_100000741768_100000210326 [1,1,0,0,0,0|2,0,0]=4 11044 B10R0.83 CCCCCN(C)C(C)CC 269982a_100000223495_100000758301 [1,1,0,0,0,0|2,0,0]=4 11045 B10R0.83 CCCCCN(C)C(C)CC 269982a_100000741768_100000210215 [1,1,0,0,0,0|2,0,0]=4 11046 B10R0.83 CCCCNC(=O)C(O)CC 240690a_100000102301_100011196387 [1,1,0,0,0,0|1,0,1]=4 11047 B10R0.83 CCCCNC(C)C(C)CC 269862a_100000102301_100000210599 [1,1,0,0,0,0|2,0,0]=4 11048 B10R0.83 CCCCNC(C)C(C)CC 270004a_100000102301_100000210599 [1,1,0,0,0,0|2,0,0]=4 11049 B10R0.83 CCCCOC(C)C(C)CC 7a_100011215189_100000210211 [1,1,0,0,0,0|2,0,0]=4 11050 B10R0.83 CCOCCC(=O)C(O)CC 1458a_100011196387_100011215890 [1,1,0,0,0,0|1,0,1]=4 11051 B10R0.83 CCSCCC(=O)C(O)CC 1458a_100011196387_100000757381 [1,1,0,0,0,0|1,0,1]=4 11052 B10R0.108 CCC(O)CNC(C)CCO 2230a_100011218483_100009893172 [1,1,0,0,0,0|2,0,0]=4 11053 B10R0.108 CCC(O)CNC(C)COC 2230a_100011218483_100000765312 [1,1,0,0,0,0|2,0,0]=4 11054 B10R0.108 CCC(O)CNC(C)COC 270004a_100011218483_100000749346 [1,1,0,0,0,0|2,0,0]=4 11055 B10R0.108 CCC(O)CNC(C)CSC 270004a_100011218483_100011216314 [1,1,0,0,0,0|2,0,0]=4 11056 B10R0.108 CCC(O)CN[C@H](C)CCO 2230a_100000706166_100011218378 [1,1,0,0,0,0|2,0,0]=4 11057 B10R0.108 CCC(O)CN[C@H](C)CCO 34a_100000706166_100011218378 [1,1,0,0,0,0|2,0,0]=4 11058 B10R0.108 CCC(O)CN[C@H](C)COC 2230a_100000764878_100011218378 [1,1,0,0,0,0|2,0,0]=4 11059 B10R0.108 CCC(O)COC(C)CCBr 34a_100012276601_100011218378 [1,1,0,0,0,0|2,0,0]=4 11060 B10R0.108 CCC(O)CO[C@H](C)COC 34a_100011934205_100011218378 [1,1,0,0,0,0|2,0,0]=4 11061 B10R0.108 CCC(O)CSC(C)CCO 62a_100009893172_100011218378 [1,1,0,0,0,0|2,0,0]=4 11062 B10R0.108 CCC(O)CSC(C)CCO 62a_100011218378_100009893172 [1,1,0,0,0,0|2,0,0]=4 11063 B10R0.108 CCC(O)CSC(C)COC 62a_100000765312_100011218378 [1,1,0,0,0,0|2,0,0]=4 11064 B10R0.108 CCC(O)CSC(C)COC 62a_100011218378_100000765312 [1,1,0,0,0,0|2,0,0]=4 11065 B10R0.108 CCCC(=O)CCC(C)CC 1458a_100000701222_100000210303 [1,1,0,0,0,0|1,0,1]=4 11066 B10R0.108 CCCC(=O)NCC(O)CC 11a_100011218483_100000211992 [1,1,0,0,0,0|1,0,1]=4 11067 B10R0.108 CCCC(=O)NCC(O)CC 240690a_100011218483_100000211992 [1,1,0,0,0,0|1,0,1]=4 11068 B10R0.108 CCCC(=O)NCC(O)CC 527a_100011218483_100000211992 [1,1,0,0,0,0|1,0,1]=4 11069 B10R0.108 CCCC(C)CCC(C)NC 270004a_106832991635_200011216527 [1,1,0,0,0,0|2,0,0]=4 11070 B10R0.108 CCCC(C)CNC(C)CC 2230a_100000209981_100011216630 [1,1,0,0,0,0|2,0,0]=4 11071 B10R0.108 CCCC(C)CNC(C)CC 270004a_100000209981_100000243154 [1,1,0,0,0,0|2,0,0]=4 11072 B10R0.108 CCCC(C)COC(C)CC 34a_100000688023_100011215416 [1,1,0,0,0,0|2,0,0]=4 11073 B10R0.108 CCCC(C)COC(C)CC 7a_100000210228_100011216630 [1,1,0,0,0,0|2,0,0]=4 11074 B10R0.108 CCCC(C)COC(C)CC 7a_100000688023_100000758301 [1,1,0,0,0,0|2,0,0]=4 11075 B10R0.108 CCCC(C)CSC(C)CC 62a_100000758301_100011216630 [1,1,0,0,0,0|2,0,0]=4 11076 B10R0.108 CCCC(C)CSC(C)CC 62a_100011216630_100000758301 [1,1,0,0,0,0|2,0,0]=4 11077 B10R0.108 CCCC(C)NCC(C)CC 2230a_100000741246_100000748023 [1,1,0,0,0,0|2,0,0]=4 11078 B10R0.108 CCCC(C)NCC(C)CC 2230a_100020588543_100000766640 [1,1,0,0,0,0|2,0,0]=4 11079 B10R0.108 CCCC(C)NCC(C)CC 270004a_100000741246_100000243153 [1,1,0,0,0,0|2,0,0]=4 11080 B10R0.108 CCCC(C)NCC(C)CC 270004a_100020588543_100000211909 [1,1,0,0,0,0|2,0,0]=4 11081 B10R0.108 CCCC(C)NCC(O)CC 2230a_100000741246_100011218378 [1,1,0,0,0,0|1,0,0]=3 11082 B10R0.108 CCCC(C)NCC(O)CC 2230a_100011218483_100000766640 [1,1,0,0,0,0|1,0,0]=3 11083 B10R0.108 CCCC(C)NCC(O)CC 270004a_100011218483_100000211909 [1,1,0,0,0,0|1,0,0]=3 11084 B10R0.108 CCCC(C)NCC(O)CO 2230a_100000741246_100011219619 [1,1,0,0,0,0|2,0,0]=4 11085 B10R0.108 CCCC(C)NC[C@@H](C)CC 2230a_100000741246_100009816398 [1,1,0,0,0,0|2,0,0]=4 11086 B10R0.108 CCCC(C)NC[C@@H](O)CF 2230a_100000741246_100015614560 [1,1,0,0,0,0|2,0,0]=4 11087 B10R0.108 CCCC(C)NC[C@@H](O)CO 2230a_100000741246_100009815848 [1,1,0,0,0,0|2,0,0]=4 11088 B10R0.108 CCCC(C)NC[C@H](O)CO 2230a_100020644852_100000766640 [1,1,0,0,0,0|2,0,0]=4 11089 B10R0.108 CCCC(C)OCC(C)CC 34a_100000764384_100000748023 [1,1,0,0,0,0|2,0,0]=4 11090 B10R0.108 CCCC(C)OCC(C)CC 7a_100000764384_100000748023 [1,1,0,0,0,0|2,0,0]=4 11091 B10R0.108 CCCC(C)OCC(O)CC 34a_100000764384_100011218378 [1,1,0,0,0,0|1,0,0]=3 11092 B10R0.108 CCCC(C)OCC(O)CC 7a_100000764384_100011218378 [1,1,0,0,0,0|1,0,0]=3 11093 B10R0.108 CCCC(C)OCC(O)CO 34a_100000764384_100011219619 [1,1,0,0,0,0|2,0,0]=4 11094 B10R0.108 CCCC(C)OCC(O)CO 7a_100000764384_100011219619 [1,1,0,0,0,0|2,0,0]=4 11095 B10R0.108 CCCC(C)OC[C@@H](C)CC 34a_100000764384_100009816398 [1,1,0,0,0,0|2,0,0]=4 11096 B10R0.108 CCCC(C)OC[C@@H](C)CC 7a_100000764384_100009816398 [1,1,0,0,0,0|2,0,0]=4 11097 B10R0.108 CCCC(C)OC[C@@H](C)CC 7a_100009816381_100000766640 [1,1,0,0,0,0|2,0,0]=4 11098 B10R0.108 CCCC(C)OC[C@@H](O)CF 34a_100000764384_100015614560 [1,1,0,0,0,0|2,0,0]=4 11099 B10R0.108 CCCC(C)OC[C@@H](O)CF 7a_100000764384_100015614560 [1,1,0,0,0,0|2,0,0]=4 11100 B10R0.108 CCCC(C)OC[C@@H](O)CO 34a_100000764384_100009815848 [1,1,0,0,0,0|2,0,0]=4 11101 B10R0.108 CCCC(C)OC[C@@H](O)CO 7a_100000764384_100009815848 [1,1,0,0,0,0|2,0,0]=4 11102 B10R0.108 CCCC(C)SCC(C)CC 62a_100000748023_100000766640 [1,1,0,0,0,0|2,0,0]=4 11103 B10R0.108 CCCC(C)SCC(C)CC 62a_100000766640_100000748023 [1,1,0,0,0,0|2,0,0]=4 11104 B10R0.108 CCCC(C)SCC(O)CC 62a_100000766640_100011218378 [1,1,0,0,0,0|1,0,0]=3 11105 B10R0.108 CCCC(C)SCC(O)CC 62a_100011218378_100000766640 [1,1,0,0,0,0|1,0,0]=3 11106 B10R0.108 CCCC(C)SCC(O)CO 62a_100000766640_100011219619 [1,1,0,0,0,0|2,0,0]=4 11107 B10R0.108 CCCC(C)SCC(O)CO 62a_100011219619_100000766640 [1,1,0,0,0,0|2,0,0]=4 11108 B10R0.108 CCCC(C)SC[C@@H](C)CC 62a_100000766640_100009816398 [1,1,0,0,0,0|2,0,0]=4 11109 B10R0.108 CCCC(C)SC[C@@H](C)CC 62a_100009816398_100000766640 [1,1,0,0,0,0|2,0,0]=4 11110 B10R0.108 CCCC(C)SC[C@@H](O)CF 62a_100000766640_100015614560 [1,1,0,0,0,0|2,0,0]=4 11111 B10R0.108 CCCC(C)SC[C@@H](O)CF 62a_100015614560_100000766640 [1,1,0,0,0,0|2,0,0]=4 11112 B10R0.108 CCCC(C)SC[C@@H](O)CO 62a_100000766640_100009815848 [1,1,0,0,0,0|2,0,0]=4 11113 B10R0.108 CCCC(C)SC[C@@H](O)CO 62a_100009815848_100000766640 [1,1,0,0,0,0|2,0,0]=4 11114 B10R0.108 CCC[C@H](N)COC(C)CC 34a_100000732646_100011215416 [1,1,0,0,0,0|2,0,0]=4 11115 B10R0.108 CCNC(=O)CCC(O)CC 240690a_100015525214_203496584001 [1,1,0,0,0,0|1,0,1]=4 11116 B10R0.108 CCOC(C)CCC(C)CC 7a_200011216552_100000210202 [1,1,0,0,0,0|2,0,0]=4 11117 B12R0.1 C#CCC(C)OCCCCCCC 34a_100000685586_100000210614 [0,2,0,0,0,0|1,0,1]=4 11118 B12R0.1 C#CCC(C)OCCCCCCC 7a_100000685586_100000210614 [0,2,0,0,0,0|1,0,1]=4 11119 B12R0.1 C#CCCCCNCC(O)COC 2230a_100000756049_100010269958 [0,2,0,0,0,0|0,0,2]=4 11120 B12R0.1 C#CCCCCNCC(O)COC 34a_100000706060_100011215053 [0,2,0,0,0,0|0,0,2]=4 11121 B12R0.1 C#CCCCCNCC(O)COC 34a_100000756049_100010269958 [0,2,0,0,0,0|0,0,2]=4 11122 B12R0.1 C#CCCCCOCC(O)COC 34a_100000766709_100011215053 [0,2,0,0,0,0|0,0,2]=4 11123 B12R0.1 C#CCCCCOCC(O)COC 7a_100000766709_100011215053 [0,2,0,0,0,0|0,0,2]=4 11124 B12R0.1 C#CCCCCSCC(O)COC 62a_100010269958_100011215053 [0,2,0,0,0,0|0,0,2]=4 11125 B12R0.1 C#CCCCCSCC(O)COC 62a_100011215053_100010269958 [0,2,0,0,0,0|0,0,2]=4 11126 B12R0.1 C/C=C/C(C)OCCCCCCC 34a_200102604097_100000210614 [0,2,0,0,0,0|1,0,1]=4 11127 B12R0.1 C=CCC(C)COCCCCCC 34a_100009832082_100000210314 [0,2,0,0,0,0|1,0,1]=4 11128 B12R0.1 C=CCC(C)COCCCCCC 7a_100009832082_100000210314 [0,2,0,0,0,0|1,0,1]=4 11129 B12R0.1 C=CCCCCNCC(O)COC 2230a_100000756049_100011215482 [0,2,0,0,0,0|0,0,2]=4 11130 B12R0.1 C=CCCCCNCC(O)COC 34a_100000703577_100011215053 [0,2,0,0,0,0|0,0,2]=4 11131 B12R0.1 C=CCCCCNCC(O)COC 34a_100000756049_100011215482 [0,2,0,0,0,0|0,0,2]=4 11132 B12R0.1 C=CCCCCOCC(O)COC 34a_100000766645_100011215053 [0,2,0,0,0,0|0,0,2]=4 11133 B12R0.1 C=CCCCCOCC(O)COC 7a_100000766645_100011215053 [0,2,0,0,0,0|0,0,2]=4 11134 B12R0.1 C=CCCCCSCC(O)COC 62a_100011215053_100011215482 [0,2,0,0,0,0|0,0,2]=4 11135 B12R0.1 C=CCCCCSCC(O)COC 62a_100011215482_100011215053 [0,2,0,0,0,0|0,0,2]=4 11136 B12R0.1 C=CC[C@@H](C)OCCCCCCC 34a_100000731007_100000210614 [0,2,0,0,0,0|1,0,1]=4 11137 B12R0.1 C=CC[C@@H](C)OCCCCCCC 7a_100000731007_100000210614 [0,2,0,0,0,0|1,0,1]=4 11138 B12R0.1 C=CC[C@@H](N)COCCCCCC 34a_100020615467_100000210314 [0,2,0,0,0,0|1,0,1]=4 11139 B12R0.1 CC#CC(C)OCCCCCCC 34a_100011216543_100000210614 [0,2,0,0,0,0|1,0,1]=4 11140 B12R0.1 CC(CCBr)OCCCCCCF 34a_100012276601_100015922095 [0,2,0,0,0,0|2,0,0]=4 11141 B12R0.1 CC(CCBr)OCCCCCCO 34a_100012276601_100000766143 [0,2,0,0,0,0|2,0,0]=4 11142 B12R0.1 CC(CCN)COCCCCCF 34a_106354213184_100000729378 [0,2,0,0,0,0|2,0,0]=4 11143 B12R0.1 CC(CCN)COCCCCCO 34a_106354213184_100000746330 [0,2,0,0,0,0|2,0,0]=4 11144 B12R0.1 CC(CCO)NCCCCCCO 2230a_100000686447_100009893172 [0,2,0,0,0,0|2,0,0]=4 11145 B12R0.1 CC(CCO)NCCCCCCO 34a_100000686447_100009893172 [0,2,0,0,0,0|2,0,0]=4 11146 B12R0.1 CC(CCO)OCCCCCCBr 34a_100011215345_100009893172 [0,2,0,0,0,0|2,0,0]=4 11147 B12R0.1 CC(CCO)OCCCCCCBr 7a_100011215345_100009893172 [0,2,0,0,0,0|2,0,0]=4 11148 B12R0.1 CC(CCO)OCCCCCCCl 34a_100000766143_100009893172 [0,2,0,0,0,0|2,0,0]=4 11149 B12R0.1 CC(CCO)OCCCCCCCl 7a_100000766143_100009893172 [0,2,0,0,0,0|2,0,0]=4 11150 B12R0.1 CC(CCO)OCCCCCCF 34a_100000732779_100009893172 [0,2,0,0,0,0|2,0,0]=4 11151 B12R0.1 CC(CCO)OCCCCCCF 7a_100000732779_100009893172 [0,2,0,0,0,0|2,0,0]=4 11152 B12R0.1 CC(CCO)OCCCCCCN 34a_100000686447_100009893172 [0,2,0,0,0,0|2,0,0]=4 11153 B12R0.1 CC(CCO)SCCCCCCF 62a_100009893172_100015922095 [0,2,0,0,0,0|2,0,0]=4 11154 B12R0.1 CC(CCO)SCCCCCCF 62a_100015922095_100009893172 [0,2,0,0,0,0|2,0,0]=4 11155 B12R0.1 CC(CCO)SCCCCCCO 62a_100000766143_100009893172 [0,2,0,0,0,0|2,0,0]=4 11156 B12R0.1 CC(CCO)SCCCCCCO 62a_100009893172_100000766143 [0,2,0,0,0,0|2,0,0]=4 11157 B12R0.1 CC/C=C\CCNCC(O)COC 2230a_100000756049_100015370543 [0,2,0,0,0,0|0,0,2]=4 11158 B12R0.1 CC/C=C\CCNCC(O)COC 34a_100000756049_100015370543 [0,2,0,0,0,0|0,0,2]=4 11159 B12R0.1 CC/C=C\CCOCC(O)COC 34a_100016288707_100011215053 [0,2,0,0,0,0|0,0,2]=4 11160 B12R0.1 CC/C=C\CCOCC(O)COC 7a_100016288707_100011215053 [0,2,0,0,0,0|0,0,2]=4 11161 B12R0.1 CC/C=C\CCSCC(O)COC 62a_100011215053_100015370543 [0,2,0,0,0,0|0,0,2]=4 11162 B12R0.1 CC/C=C\CCSCC(O)COC 62a_100015370543_100011215053 [0,2,0,0,0,0|0,0,2]=4 11163 B12R0.1 CC=CCCCOCC(O)COC 34a_100020645299_100011215053 [0,2,0,0,0,0|0,0,2]=4 11164 B12R0.1 CCC#CCCOCC(O)COC 34a_100000036655_100011215053 [0,2,0,0,0,0|0,0,2]=4 11165 B12R0.1 CCC#CCCOCC(O)COC 7a_100000036655_100011215053 [0,2,0,0,0,0|0,0,2]=4 11166 B12R0.1 CCC/C=C/COCC(O)COC 34a_100016278788_100011215053 [0,2,0,0,0,0|0,0,2]=4 11167 B12R0.1 CCC/C=C/COCC(O)COC 7a_100016278788_100011215053 [0,2,0,0,0,0|0,0,2]=4 11168 B12R0.1 CCCC#CCOCC(O)COC 34a_100000034806_100011215053 [0,2,0,0,0,0|0,0,2]=4 11169 B12R0.1 CCCC#CCOCC(O)COC 7a_100000034806_100011215053 [0,2,0,0,0,0|0,0,2]=4 11170 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100000211992_100000760002 [0,2,0,0,0,0|0,0,2]=4 11171 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100011219782_100000210303 [0,2,0,0,0,0|0,0,2]=4 11172 B12R0.1 CCCC(=O)CCCCCCOC 1458a_100000211992_100011998445 [0,2,0,0,0,0|0,0,2]=4 11173 B12R0.1 CCCC(C)CCCOCCCF 34a_100011713154_100011934791 [0,2,0,0,0,0|2,0,0]=4 11174 B12R0.1 CCCC(C)CCCOCCCF 7a_100011713154_100011934791 [0,2,0,0,0,0|2,0,0]=4 11175 B12R0.1 CCCC(C)CCCOCCCO 34a_100011713154_100000230001 [0,2,0,0,0,0|2,0,0]=4 11176 B12R0.1 CCCC(C)CCCOCCCO 7a_100011713154_100011215043 [0,2,0,0,0,0|2,0,0]=4 11177 B12R0.1 CCCC(C)CCCOCCOC 34a_100011713154_100011201679 [0,2,0,0,0,0|2,0,0]=4 11178 B12R0.1 CCCC(C)CCCOCCOC 7a_100011713154_100000233755 [0,2,0,0,0,0|2,0,0]=4 11179 B12R0.1 CCCC(C)CCCOCCSC 34a_100011713154_100000212216 [0,2,0,0,0,0|2,0,0]=4 11180 B12R0.1 CCCC(C)CCCOCCSC 7a_100011713154_100000212216 [0,2,0,0,0,0|2,0,0]=4 11181 B12R0.1 CCCC(C)CCOCCCCF 34a_100011217855_100000729493 [0,2,0,0,0,0|2,0,0]=4 11182 B12R0.1 CCCC(C)CCOCCCCF 7a_100011217855_100000729493 [0,2,0,0,0,0|2,0,0]=4 11183 B12R0.1 CCCC(C)CCOCCCCO 34a_100011217855_100011216708 [0,2,0,0,0,0|2,0,0]=4 11184 B12R0.1 CCCC(C)CCOCCCCO 7a_100011217855_100000210776 [0,2,0,0,0,0|2,0,0]=4 11185 B12R0.1 CCCC(C)CCOCCCOC 34a_100011217855_100000740836 [0,2,0,0,0,0|2,0,0]=4 11186 B12R0.1 CCCC(C)CCOCCCOC 7a_100011217855_100000740836 [0,2,0,0,0,0|2,0,0]=4 11187 B12R0.1 CCCC(C)CCOCCOCC 34a_100011217855_100000210147 [0,2,0,0,0,0|2,0,0]=4 11188 B12R0.1 CCCC(C)CCOCCOCC 7a_100011217855_100011215890 [0,2,0,0,0,0|2,0,0]=4 11189 B12R0.1 CCCC(C)CCOCCSCC 34a_100011217855_100000757381 [0,2,0,0,0,0|2,0,0]=4 11190 B12R0.1 CCCC(C)CCOCCSCC 7a_100011217855_100000757381 [0,2,0,0,0,0|2,0,0]=4 11191 B12R0.1 CCCC(C)CNCCCCCO 2230a_100000762737_100011216630 [0,2,0,0,0,0|2,0,0]=4 11192 B12R0.1 CCCC(C)CNCCCCCO 270004a_100000762737_100000243154 [0,2,0,0,0,0|2,0,0]=4 11193 B12R0.1 CCCC(C)CNCCCCCO 34a_100000762737_100011216630 [0,2,0,0,0,0|2,0,0]=4 11194 B12R0.1 CCCC(C)CNCCCOCC 2230a_100000210961_100011216630 [0,2,0,0,0,0|2,0,0]=4 11195 B12R0.1 CCCC(C)CNCCCOCC 270004a_100000210961_100000243154 [0,2,0,0,0,0|2,0,0]=4 11196 B12R0.1 CCCC(C)CNCCCOCC 34a_100000210961_100011216630 [0,2,0,0,0,0|2,0,0]=4 11197 B12R0.1 CCCC(C)COCCCCCBr 34a_100000746331_100011216630 [0,2,0,0,0,0|2,0,0]=4 11198 B12R0.1 CCCC(C)COCCCCCBr 7a_100000746331_100011216630 [0,2,0,0,0,0|2,0,0]=4 11199 B12R0.1 CCCC(C)COCCCCCCl 34a_100000746330_100011216630 [0,2,0,0,0,0|2,0,0]=4 11200 B12R0.1 CCCC(C)COCCCCCCl 7a_100000746330_100011216630 [0,2,0,0,0,0|2,0,0]=4 11201 B12R0.1 CCCC(C)COCCCCCF 34a_100000688023_100000729378 [0,2,0,0,0,0|2,0,0]=4 11202 B12R0.1 CCCC(C)COCCCCCF 7a_100000688023_100000729378 [0,2,0,0,0,0|2,0,0]=4 11203 B12R0.1 CCCC(C)COCCCCCI 34a_200012148887_100011216630 [0,2,0,0,0,0|2,0,0]=4 11204 B12R0.1 CCCC(C)COCCCCCI 7a_200012148887_100011216630 [0,2,0,0,0,0|2,0,0]=4 11205 B12R0.1 CCCC(C)COCCCCCN 34a_100000762737_100011216630 [0,2,0,0,0,0|2,0,0]=4 11206 B12R0.1 CCCC(C)COCCCCCO 34a_100000688023_100000746330 [0,2,0,0,0,0|2,0,0]=4 11207 B12R0.1 CCCC(C)COCCCCCO 7a_100000688023_100000746330 [0,2,0,0,0,0|2,0,0]=4 11208 B12R0.1 CCCC(C)COCCCCOC 34a_100000688023_100000755781 [0,2,0,0,0,0|2,0,0]=4 11209 B12R0.1 CCCC(C)COCCCCOC 34a_100000740925_100011216630 [0,2,0,0,0,0|2,0,0]=4 11210 B12R0.1 CCCC(C)COCCCCOC 7a_100000688023_100000730899 [0,2,0,0,0,0|2,0,0]=4 11211 B12R0.1 CCCC(C)COCCCCSC 34a_100011217163_100011216630 [0,2,0,0,0,0|2,0,0]=4 11212 B12R0.1 CCCC(C)COCCCCSC 7a_100011217163_100011216630 [0,2,0,0,0,0|2,0,0]=4 11213 B12R0.1 CCCC(C)COCCCOCC 34a_100000688023_100012232248 [0,2,0,0,0,0|2,0,0]=4 11214 B12R0.1 CCCC(C)COCCCOCC 34a_100000757476_100011216630 [0,2,0,0,0,0|2,0,0]=4 11215 B12R0.1 CCCC(C)COCCCOCC 7a_100000688023_100012232248 [0,2,0,0,0,0|2,0,0]=4 11216 B12R0.1 CCCC(C)COCCCOCC 7a_100000757476_100011216630 [0,2,0,0,0,0|2,0,0]=4 11217 B12R0.1 CCCC(C)COCCCSCC 34a_100011216438_100011216630 [0,2,0,0,0,0|2,0,0]=4 11218 B12R0.1 CCCC(C)COCCCSCC 7a_100011216438_100011216630 [0,2,0,0,0,0|2,0,0]=4 11219 B12R0.1 CCCC(C)CSCCCCCF 62a_100000729378_100011216630 [0,2,0,0,0,0|2,0,0]=4 11220 B12R0.1 CCCC(C)CSCCCCCF 62a_100011216630_100000729378 [0,2,0,0,0,0|2,0,0]=4 11221 B12R0.1 CCCC(C)CSCCCCCO 62a_100000746330_100011216630 [0,2,0,0,0,0|2,0,0]=4 11222 B12R0.1 CCCC(C)CSCCCCCO 62a_100011216630_100000746330 [0,2,0,0,0,0|2,0,0]=4 11223 B12R0.1 CCCC(C)CSCCCCOC 62a_100000730899_100011216630 [0,2,0,0,0,0|2,0,0]=4 11224 B12R0.1 CCCC(C)CSCCCCOC 62a_100011216630_100000730899 [0,2,0,0,0,0|2,0,0]=4 11225 B12R0.1 CCCC(C)CSCCCOCC 62a_100011216630_100012232248 [0,2,0,0,0,0|2,0,0]=4 11226 B12R0.1 CCCC(C)CSCCCOCC 62a_100012232248_100011216630 [0,2,0,0,0,0|2,0,0]=4 11227 B12R0.1 CCCC(C)NCCCCCCF 2230a_100000741246_100015922095 [0,2,0,0,0,0|2,0,0]=4 11228 B12R0.1 CCCC(C)NCCCCCCO 2230a_100000686447_100000766640 [0,2,0,0,0,0|2,0,0]=4 11229 B12R0.1 CCCC(C)NCCCCCCO 2230a_100000741246_100000766143 [0,2,0,0,0,0|2,0,0]=4 11230 B12R0.1 CCCC(C)NCCCCCCO 270004a_100000686447_100000211909 [0,2,0,0,0,0|2,0,0]=4 11231 B12R0.1 CCCC(C)NCCCCCCO 34a_100000686447_100000766640 [0,2,0,0,0,0|2,0,0]=4 11232 B12R0.1 CCCC(C)NCCCCCOC 2230a_100000747528_100000766640 [0,2,0,0,0,0|2,0,0]=4 11233 B12R0.1 CCCC(C)NCCCCCOC 270004a_100000747528_100000211909 [0,2,0,0,0,0|2,0,0]=4 11234 B12R0.1 CCCC(C)NCCCCCOC 34a_100000747528_100000766640 [0,2,0,0,0,0|2,0,0]=4 11235 B12R0.1 CCCC(C)OCCCCCCBr 34a_100011215345_100000766640 [0,2,0,0,0,0|2,0,0]=4 11236 B12R0.1 CCCC(C)OCCCCCCBr 7a_100011215345_100000766640 [0,2,0,0,0,0|2,0,0]=4 11237 B12R0.1 CCCC(C)OCCCCCCCl 34a_100000766143_100000766640 [0,2,0,0,0,0|2,0,0]=4 11238 B12R0.1 CCCC(C)OCCCCCCCl 7a_100000766143_100000766640 [0,2,0,0,0,0|2,0,0]=4 11239 B12R0.1 CCCC(C)OCCCCCCF 34a_100000732779_100000766640 [0,2,0,0,0,0|2,0,0]=4 11240 B12R0.1 CCCC(C)OCCCCCCF 34a_100000764384_100015922095 [0,2,0,0,0,0|2,0,0]=4 11241 B12R0.1 CCCC(C)OCCCCCCF 7a_100000732779_100000766640 [0,2,0,0,0,0|2,0,0]=4 11242 B12R0.1 CCCC(C)OCCCCCCF 7a_100000764384_100015922095 [0,2,0,0,0,0|2,0,0]=4 11243 B12R0.1 CCCC(C)OCCCCCCN 34a_100000686447_100000766640 [0,2,0,0,0,0|2,0,0]=4 11244 B12R0.1 CCCC(C)OCCCCCCO 34a_100000764384_100000766143 [0,2,0,0,0,0|2,0,0]=4 11245 B12R0.1 CCCC(C)OCCCCCCO 7a_100000764384_100000766143 [0,2,0,0,0,0|2,0,0]=4 11246 B12R0.1 CCCC(C)OCCCCCNC 34a_100000722520_100000766640 [0,2,0,0,0,0|2,0,0]=4 11247 B12R0.1 CCCC(C)SCCCCCCF 62a_100000766640_100015922095 [0,2,0,0,0,0|2,0,0]=4 11248 B12R0.1 CCCC(C)SCCCCCCF 62a_100015922095_100000766640 [0,2,0,0,0,0|2,0,0]=4 11249 B12R0.1 CCCC(C)SCCCCCCO 62a_100000766143_100000766640 [0,2,0,0,0,0|2,0,0]=4 11250 B12R0.1 CCCC(C)SCCCCCCO 62a_100000766640_100000766143 [0,2,0,0,0,0|2,0,0]=4 11251 B12R0.1 CCCCC=NNCC(O)CSC 4a_200000122717_100000210104 [0,2,0,0,0,0|1,0,1]=4 11252 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000210188_100000210303 [0,2,0,0,0,0|0,0,2]=4 11253 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000211992_100000210759 [0,2,0,0,0,0|0,0,2]=4 11254 B12R0.1 CCCCCCCCC(=O)CCF 1458a_100000210188_100011217306 [0,2,0,0,0,0|0,0,2]=4 11255 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100000210188_100000211926 [0,2,0,0,0,0|0,0,2]=4 11256 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100011216618_100000210759 [0,2,0,0,0,0|0,0,2]=4 11257 B12R0.1 CCCCCCCCC(=O)COC 1458a_100000210968_100000210759 [0,2,0,0,0,0|0,0,2]=4 11258 B12R0.1 CCCCCCCCC(=O)CSC 1458a_100000184570_100000210759 [0,2,0,0,0,0|0,0,2]=4 11259 B12R0.1 CCCCCCCCC(=O)NCC 11a_100015525214_100000210188 [0,2,0,0,0,0|0,0,2]=4 11260 B12R0.1 CCCCCCCCC(=O)NCC 240690a_100015525214_100000210188 [0,2,0,0,0,0|0,0,2]=4 11261 B12R0.1 CCCCCCCCC(=O)NCC 527a_100015525214_100000210188 [0,2,0,0,0,0|0,0,2]=4 11262 B12R0.1 CCCCCCCCC(C)CNC 270004a_106832991635_100011995885 [0,2,0,0,0,0|1,0,0]=3 11263 B12R0.1 CCCCCCCCC(C)COC 34a_200012125181_200000210301 [0,2,0,0,0,0|1,0,0]=3 11264 B12R0.1 CCCCCCCCC(C)COC 7a_200012125181_200000210301 [0,2,0,0,0,0|1,0,0]=3 11265 B12R0.1 CCCCCCCCC(C)CO[13CH3] 34a_200012125181_200025704644 [0,2,0,0,0,0|1,0,0]=3 11266 B12R0.1 CCCCCCCCC(C)CO[13CH3] 7a_200012125181_200025704644 [0,2,0,0,0,0|1,0,0]=3 11267 B12R0.1 CCCCCCCCC(C)NCC 270004a_100015525214_100011216694 [0,2,0,0,0,0|1,0,0]=3 11268 B12R0.1 CCCCCCCCC(C)OCC 34a_100000210740_100000210202 [0,2,0,0,0,0|1,0,0]=3 11269 B12R0.1 CCCCCCCCC(C)OCC 7a_100000210740_100000210202 [0,2,0,0,0,0|1,0,0]=3 11270 B12R0.1 CCCCCCCCC(C)OCF 34a_100000210740_100015361967 [0,2,0,0,0,0|2,0,0]=4 11271 B12R0.1 CCCCCCCCC(C)OCF 7a_100000210740_100015361967 [0,2,0,0,0,0|2,0,0]=4 11272 B12R0.1 CCCCCCCCN(C)CCC 2230a_100000207567_100000210303 [0,2,0,0,0,0|2,0,0]=4 11273 B12R0.1 CCCCCCCCN(C)CCC 2230a_100000747261_100000210759 [0,2,0,0,0,0|2,0,0]=4 11274 B12R0.1 CCCCCCCCN(C)CCC 269982a_100000207567_100000210303 [0,2,0,0,0,0|2,0,0]=4 11275 B12R0.1 CCCCCCCCN(C)CCC 269982a_100000747261_100000210759 [0,2,0,0,0,0|2,0,0]=4 11276 B12R0.1 CCCCCCCCN(C)CCF 2230a_100000207567_100011217306 [0,2,0,0,0,0|2,0,0]=4 11277 B12R0.1 CCCCCCCCN(C)CCF 269982a_100000207567_100011217306 [0,2,0,0,0,0|2,0,0]=4 11278 B12R0.1 CCCCCCCCN(C)CCO 2230a_100000207567_100000211926 [0,2,0,0,0,0|2,0,0]=4 11279 B12R0.1 CCCCCCCCN(C)CCO 2230a_100000210263_100000210759 [0,2,0,0,0,0|2,0,0]=4 11280 B12R0.1 CCCCCCCCN(C)CCO 269982a_100000207567_100000211926 [0,2,0,0,0,0|2,0,0]=4 11281 B12R0.1 CCCCCCCCN(C)CCO 269982a_100000210263_100000210759 [0,2,0,0,0,0|2,0,0]=4 11282 B12R0.1 CCCCCCCCN(C)COC 2230a_100000207567_100000766300 [0,2,0,0,0,0|2,0,0]=4 11283 B12R0.1 CCCCCCCCN(C)COC 269982a_100000207567_100000766300 [0,2,0,0,0,0|2,0,0]=4 11284 B12R0.1 CCCCCCCCN(C)CSC 2230a_100000207567_100011218213 [0,2,0,0,0,0|2,0,0]=4 11285 B12R0.1 CCCCCCCCN(C)CSC 269982a_100000207567_100011218213 [0,2,0,0,0,0|2,0,0]=4 11286 B12R0.1 CCCCCCCNC(=O)CCC 11a_100000229938_100000211992 [0,2,0,0,0,0|0,0,2]=4 11287 B12R0.1 CCCCCCCNC(=O)CCC 1626a_100000229938_100000211992 [0,2,0,0,0,0|0,0,2]=4 11288 B12R0.1 CCCCCCCNC(=O)CCC 240690a_100000229938_100000211992 [0,2,0,0,0,0|0,0,2]=4 11289 B12R0.1 CCCCCCCNC(=O)CCC 527a_100000229938_100000211992 [0,2,0,0,0,0|0,0,2]=4 11290 B12R0.1 CCCCCCCNC(=O)CCO 240690a_100000229938_100011216618 [0,2,0,0,0,0|0,0,2]=4 11291 B12R0.1 CCCCCCCNC(=O)COC 11a_100000229938_100000210968 [0,2,0,0,0,0|0,0,2]=4 11292 B12R0.1 CCCCCCCNC(=O)COC 1626a_100000229938_100000210968 [0,2,0,0,0,0|0,0,2]=4 11293 B12R0.1 CCCCCCCNC(=O)COC 240690a_100000229938_100000210968 [0,2,0,0,0,0|0,0,2]=4 11294 B12R0.1 CCCCCCCNC(=O)COC 527a_100000229938_100000210968 [0,2,0,0,0,0|0,0,2]=4 11295 B12R0.1 CCCCCCCNC(=O)CSC 11a_100000229938_100000184570 [0,2,0,0,0,0|0,0,2]=4 11296 B12R0.1 CCCCCCCNC(=O)CSC 1626a_100000229938_100000184570 [0,2,0,0,0,0|0,0,2]=4 11297 B12R0.1 CCCCCCCNC(=O)CSC 240690a_100000229938_100000184570 [0,2,0,0,0,0|0,0,2]=4 11298 B12R0.1 CCCCCCCNC(=O)CSC 527a_100000229938_100000184570 [0,2,0,0,0,0|0,0,2]=4 11299 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100000229938_100015525214 [0,2,0,0,0,0|0,0,2]=4 11300 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100015525214_100000229938 [0,2,0,0,0,0|0,0,2]=4 11301 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100000229938_100015525214 [0,2,0,0,0,0|0,0,2]=4 11302 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100015525214_100000229938 [0,2,0,0,0,0|0,0,2]=4 11303 B12R0.1 CCCCCCCNC(=O)NCC 512a_100000229938_100015525214 [0,2,0,0,0,0|0,0,2]=4 11304 B12R0.1 CCCCCCCNC(=O)NCC 512a_100015525214_100000229938 [0,2,0,0,0,0|0,0,2]=4 11305 B12R0.1 CCCCCCCNC(C)CC#N 2230a_100000229938_100009813641 [0,2,0,0,0,0|1,0,1]=4 11306 B12R0.1 CCCCCCCNC(C)CCC 2230a_100000229938_100000766640 [0,2,0,0,0,0|1,0,0]=3 11307 B12R0.1 CCCCCCCNC(C)CCC 2230a_100000741246_100000210681 [0,2,0,0,0,0|1,0,0]=3 11308 B12R0.1 CCCCCCCNC(C)CCC 270004a_100000229938_100000211909 [0,2,0,0,0,0|1,0,0]=3 11309 B12R0.1 CCCCCCCNC(C)CCO 2230a_100000229938_100009893172 [0,2,0,0,0,0|1,0,0]=3 11310 B12R0.1 CCCCCCCNC(C)COC 2230a_100000229938_100000765312 [0,2,0,0,0,0|1,0,0]=3 11311 B12R0.1 CCCCCCCNC(C)COC 270004a_100000229938_100000749346 [0,2,0,0,0,0|1,0,0]=3 11312 B12R0.1 CCCCCCCNC(C)CSC 270004a_100000229938_100011216314 [0,2,0,0,0,0|1,0,0]=3 11313 B12R0.1 CCCCCCCN[C@@H](C)CC#N 2230a_100016994482_100000210681 [0,2,0,0,0,0|1,0,1]=4 11314 B12R0.1 CCCCCCCN[C@H](C)CCO 2230a_100000706166_100000210681 [0,2,0,0,0,0|1,0,0]=3 11315 B12R0.1 CCCCCCCN[C@H](C)CCO 34a_100000706166_100000210614 [0,2,0,0,0,0|1,0,0]=3 11316 B12R0.1 CCCCCCCN[C@H](C)COC 2230a_100000764878_100000210681 [0,2,0,0,0,0|1,0,0]=3 11317 B12R0.1 CCCCCCCOC(C)CC#N 7a_100000210272_100009813641 [0,2,0,0,0,0|1,0,1]=4 11318 B12R0.1 CCCCCCCOC(C)CCBr 34a_100012276601_100000210614 [0,2,0,0,0,0|1,0,0]=3 11319 B12R0.1 CCCCCCCOC(C)CCC 34a_100000210272_100000766640 [0,2,0,0,0,0|1,0,0]=3 11320 B12R0.1 CCCCCCCOC(C)CCC 34a_100000764384_100000210614 [0,2,0,0,0,0|1,0,0]=3 11321 B12R0.1 CCCCCCCOC(C)CCC 7a_100000210272_100000766640 [0,2,0,0,0,0|1,0,0]=3 11322 B12R0.1 CCCCCCCOC(C)CCC 7a_100000764384_100000210614 [0,2,0,0,0,0|1,0,0]=3 11323 B12R0.1 CCCCCCCOC(C)CCO 34a_100000210272_100009893172 [0,2,0,0,0,0|1,0,0]=3 11324 B12R0.1 CCCCCCCOC(C)CCO 7a_100000210272_100009893172 [0,2,0,0,0,0|1,0,0]=3 11325 B12R0.1 CCCCCCCOC(C)COC 34a_100000210272_100000765312 [0,2,0,0,0,0|1,0,0]=3 11326 B12R0.1 CCCCCCCOC(C)COC 7a_100000210272_100000765312 [0,2,0,0,0,0|1,0,0]=3 11327 B12R0.1 CCCCCCCO[C@H](C)COC 34a_100011934205_100000210614 [0,2,0,0,0,0|1,0,0]=3 11328 B12R0.1 CCCCCCCSC(C)CC#N 62a_100000210614_100009813641 [0,2,0,0,0,0|1,0,1]=4 11329 B12R0.1 CCCCCCCSC(C)CC#N 62a_100009813641_100000210316 [0,2,0,0,0,0|1,0,1]=4 11330 B12R0.1 CCCCCCCSC(C)CCC 62a_100000210614_100000766640 [0,2,0,0,0,0|1,0,0]=3 11331 B12R0.1 CCCCCCCSC(C)CCC 62a_100000766640_100000210316 [0,2,0,0,0,0|1,0,0]=3 11332 B12R0.1 CCCCCCCSC(C)CCO 62a_100000210614_100009893172 [0,2,0,0,0,0|1,0,0]=3 11333 B12R0.1 CCCCCCCSC(C)CCO 62a_100009893172_100000210316 [0,2,0,0,0,0|1,0,0]=3 11334 B12R0.1 CCCCCCCSC(C)COC 62a_100000210614_100000765312 [0,2,0,0,0,0|1,0,0]=3 11335 B12R0.1 CCCCCCCSC(C)COC 62a_100000765312_100000210316 [0,2,0,0,0,0|1,0,0]=3 11336 B12R0.1 CCCCCCNCC(=O)CCC 2230a_100000210581_100000747444 [0,2,0,0,0,0|0,0,2]=4 11337 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100000210581_100000183381 [0,2,0,0,0,0|0,0,2]=4 11338 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100016988866_100000210314 [0,2,0,0,0,0|0,0,2]=4 11339 B12R0.1 CCCCCCNCC(=O)OCC 2230a_100000210581_100000188475 [0,2,0,0,0,0|0,0,2]=4 11340 B12R0.1 CCCCCCNCC(C)CCC 2230a_100000210581_100011216630 [0,2,0,0,0,0|1,0,0]=3 11341 B12R0.1 CCCCCCNCC(C)CCC 270004a_100000210581_100000243154 [0,2,0,0,0,0|1,0,0]=3 11342 B12R0.1 CCCCCCNCC(O)COC 2230a_100000756049_100000210314 [0,2,0,0,0,0|0,0,0]=2 11343 B12R0.1 CCCCCCNCC(O)COC 34a_100000756049_100000210314 [0,2,0,0,0,0|0,0,0]=2 11344 B12R0.1 CCCCCCNC[C@@H](O)CC#N 2230a_100000210581_100000001066 [0,2,0,0,0,0|0,0,1]=3 11345 B12R0.1 CCCCCCOCC(=O)CCC 7a_100000210259_100000747444 [0,2,0,0,0,0|0,0,2]=4 11346 B12R0.1 CCCCCCOCC(=O)NCC 34a_100000210259_100000183381 [0,2,0,0,0,0|0,0,2]=4 11347 B12R0.1 CCCCCCOCC(=O)NCC 7a_100000210259_100000183381 [0,2,0,0,0,0|0,0,2]=4 11348 B12R0.1 CCCCCCOCC(=O)OCC 34a_100000210259_100000188475 [0,2,0,0,0,0|0,0,2]=4 11349 B12R0.1 CCCCCCOCC(=O)OCC 7a_100000210259_100000188475 [0,2,0,0,0,0|0,0,2]=4 11350 B12R0.1 CCCCCCOCC(C)CCC 34a_100000210259_100011216630 [0,2,0,0,0,0|1,0,0]=3 11351 B12R0.1 CCCCCCOCC(C)CCC 34a_100000688023_100000210314 [0,2,0,0,0,0|1,0,0]=3 11352 B12R0.1 CCCCCCOCC(C)CCC 7a_100000210259_100011216630 [0,2,0,0,0,0|1,0,0]=3 11353 B12R0.1 CCCCCCOCC(C)CCC 7a_100000688023_100000210314 [0,2,0,0,0,0|1,0,0]=3 11354 B12R0.1 CCCCCCOCC(C)CCN 34a_106354213184_100000210314 [0,2,0,0,0,0|1,0,0]=3 11355 B12R0.1 CCCCCCOCC(N)COC 34a_100000724102_100000210314 [0,2,0,0,0,0|1,0,0]=3 11356 B12R0.1 CCCCCCOCC(O)COC 34a_100000210259_100011215053 [0,2,0,0,0,0|0,0,0]=2 11357 B12R0.1 CCCCCCOCC(O)COC 7a_100000210259_100011215053 [0,2,0,0,0,0|0,0,0]=2 11358 B12R0.1 CCCCCCOC[C@@H](N)CCC 34a_100000732646_100000210314 [0,2,0,0,0,0|1,0,0]=3 11359 B12R0.1 CCCCCCOC[C@@H](O)CC#N 7a_100000210259_100000001066 [0,2,0,0,0,0|0,0,1]=3 11360 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000210314_100000747444 [0,2,0,0,0,0|0,0,2]=4 11361 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000747444_100000210757 [0,2,0,0,0,0|0,0,2]=4 11362 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000183381_100000210757 [0,2,0,0,0,0|0,0,2]=4 11363 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000210314_100000183381 [0,2,0,0,0,0|0,0,2]=4 11364 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000188475_100000210757 [0,2,0,0,0,0|0,0,2]=4 11365 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000210314_100000188475 [0,2,0,0,0,0|0,0,2]=4 11366 B12R0.1 CCCCCCSCC(C)CCC 62a_100000210314_100011216630 [0,2,0,0,0,0|1,0,0]=3 11367 B12R0.1 CCCCCCSCC(C)CCC 62a_100011216630_100000210757 [0,2,0,0,0,0|1,0,0]=3 11368 B12R0.1 CCCCCCSCC(O)COC 62a_100000210314_100011215053 [0,2,0,0,0,0|0,0,0]=2 11369 B12R0.1 CCCCCCSCC(O)COC 62a_100011215053_100000210757 [0,2,0,0,0,0|0,0,0]=2 11370 B12R0.1 CCCCCCSC[C@@H](O)CC#N 62a_100000001066_100000210757 [0,2,0,0,0,0|0,0,1]=3 11371 B12R0.1 CCCCCCSC[C@@H](O)CC#N 62a_100000210314_100000001066 [0,2,0,0,0,0|0,0,1]=3 11372 B12R0.1 CCCCCNCCC(=O)NCC 2230a_100000209983_100000737597 [0,2,0,0,0,0|0,0,2]=4 11373 B12R0.1 CCCCCNCCC(=O)NCC 34a_100025743525_100000718602 [0,2,0,0,0,0|0,0,2]=4 11374 B12R0.1 CCCCCNCCC(=O)OCC 2230a_100000209983_100011206558 [0,2,0,0,0,0|0,0,2]=4 11375 B12R0.1 CCCCCOCCC(=O)NCC 7a_100000210253_100000737597 [0,2,0,0,0,0|0,0,2]=4 11376 B12R0.1 CCCCCOCCC(=O)OCC 34a_100000210253_100000765890 [0,2,0,0,0,0|0,0,2]=4 11377 B12R0.1 CCCCCOCCC(=O)OCC 7a_100000210253_100011206558 [0,2,0,0,0,0|0,0,2]=4 11378 B12R0.1 CCCCCOCCC(C)CCC 34a_100011217855_100000718602 [0,2,0,0,0,0|1,0,0]=3 11379 B12R0.1 CCCCCOCCC(C)CCC 7a_100011217855_100000210326 [0,2,0,0,0,0|1,0,0]=3 11380 B12R0.1 CCCCCOCC[C@@H](N)CCC 34a_100015193777_100000718602 [0,2,0,0,0,0|1,0,0]=3 11381 B12R0.1 CCCCCSCCC(=O)NCC 62a_100000210326_100000737597 [0,2,0,0,0,0|0,0,2]=4 11382 B12R0.1 CCCCCSCCC(=O)NCC 62a_100000737597_100000210326 [0,2,0,0,0,0|0,0,2]=4 11383 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000210326_100000765890 [0,2,0,0,0,0|0,0,2]=4 11384 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000765890_100000210326 [0,2,0,0,0,0|0,0,2]=4 11385 B12R0.1 CCCCNCCCC(=O)OCC 2230a_100000102301_100009991533 [0,2,0,0,0,0|0,0,2]=4 11386 B12R0.1 CCCCNCCCC(=O)OCC 7a_106832991798_100011215271 [0,2,0,0,0,0|0,0,2]=4 11387 B12R0.1 CCCCOCCCC(=O)OCC 34a_100000210227_100009991533 [0,2,0,0,0,0|0,0,2]=4 11388 B12R0.1 CCCCOCCCC(=O)OCC 7a_100000210227_100011215271 [0,2,0,0,0,0|0,0,2]=4 11389 B12R0.1 CCCCOCCCC(=O)OCC 7a_100012001163_100000210211 [0,2,0,0,0,0|0,0,2]=4 11390 B12R0.1 CCCCOCCCC(C)CCC 34a_100011713154_100000210210 [0,2,0,0,0,0|1,0,0]=3 11391 B12R0.1 CCCCOCCCC(C)CCC 7a_100011713154_100000210211 [0,2,0,0,0,0|1,0,0]=3 11392 B12R0.1 CCCCOCCNC(C)CCC 2230a_100000741246_100000743108 [0,2,0,0,0,0|2,0,0]=4 11393 B12R0.1 CCCCOCCN[C@H](C)CCO 2230a_100000706166_100000743108 [0,2,0,0,0,0|2,0,0]=4 11394 B12R0.1 CCCCOCCN[C@H](C)CCO 34a_100000706166_100000743108 [0,2,0,0,0,0|2,0,0]=4 11395 B12R0.1 CCCCOCCN[C@H](C)COC 2230a_100000764878_100000743108 [0,2,0,0,0,0|2,0,0]=4 11396 B12R0.1 CCCCOCCOC(C)CCBr 34a_100012276601_100000743108 [0,2,0,0,0,0|2,0,0]=4 11397 B12R0.1 CCCCOCCOC(C)CCC 34a_100000210238_100000766640 [0,2,0,0,0,0|2,0,0]=4 11398 B12R0.1 CCCCOCCOC(C)CCC 34a_100000764384_100000743108 [0,2,0,0,0,0|2,0,0]=4 11399 B12R0.1 CCCCOCCOC(C)CCC 7a_100000210238_100000766640 [0,2,0,0,0,0|2,0,0]=4 11400 B12R0.1 CCCCOCCOC(C)CCC 7a_100000764384_100000743108 [0,2,0,0,0,0|2,0,0]=4 11401 B12R0.1 CCCCOCCOC(C)CCO 34a_100000210238_100009893172 [0,2,0,0,0,0|2,0,0]=4 11402 B12R0.1 CCCCOCCOC(C)CCO 7a_100000210238_100009893172 [0,2,0,0,0,0|2,0,0]=4 11403 B12R0.1 CCCCOCCOC(C)COC 34a_100000210238_100000765312 [0,2,0,0,0,0|2,0,0]=4 11404 B12R0.1 CCCCOCCOC(C)COC 7a_100000210238_100000765312 [0,2,0,0,0,0|2,0,0]=4 11405 B12R0.1 CCCCOCCO[C@H](C)COC 34a_100011934205_100000743108 [0,2,0,0,0,0|2,0,0]=4 11406 B12R0.1 CCCCOCCSC(C)CCC 62a_100000743108_100000766640 [0,2,0,0,0,0|2,0,0]=4 11407 B12R0.1 CCCCOCCSC(C)CCC 62a_100000766640_100000743108 [0,2,0,0,0,0|2,0,0]=4 11408 B12R0.1 CCCCOCCSC(C)CCO 62a_100000743108_100009893172 [0,2,0,0,0,0|2,0,0]=4 11409 B12R0.1 CCCCOCCSC(C)CCO 62a_100009893172_100000743108 [0,2,0,0,0,0|2,0,0]=4 11410 B12R0.1 CCCCOCCSC(C)COC 62a_100000743108_100000765312 [0,2,0,0,0,0|2,0,0]=4 11411 B12R0.1 CCCCOCCSC(C)COC 62a_100000765312_100000743108 [0,2,0,0,0,0|2,0,0]=4 11412 B12R0.1 CCCCOCNCC(O)COC 2230a_100000756049_100011995733 [0,2,0,0,0,0|1,0,0]=3 11413 B12R0.1 CCCCOCNCC(O)COC 34a_100000756049_100011995733 [0,2,0,0,0,0|1,0,0]=3 11414 B12R0.1 CCCCOCOCC(C)CCC 34a_100000688023_100011995733 [0,2,0,0,0,0|2,0,0]=4 11415 B12R0.1 CCCCOCOCC(C)CCN 34a_106354213184_100011995733 [0,2,0,0,0,0|2,0,0]=4 11416 B12R0.1 CCCCOCOCC(N)COC 34a_100000724102_100011995733 [0,2,0,0,0,0|2,0,0]=4 11417 B12R0.1 CCCCOCOC[C@@H](N)CCC 34a_100000732646_100011995733 [0,2,0,0,0,0|2,0,0]=4 11418 B12R0.1 CCCCOCSCC(C)CCC 62a_100011216630_100011995733 [0,2,0,0,0,0|2,0,0]=4 11419 B12R0.1 CCCCOCSCC(C)CCC 62a_100011995733_100011216630 [0,2,0,0,0,0|2,0,0]=4 11420 B12R0.1 CCCCOCSCC(O)COC 62a_100011215053_100011995733 [0,2,0,0,0,0|1,0,0]=3 11421 B12R0.1 CCCCOCSCC(O)COC 62a_100011995733_100011215053 [0,2,0,0,0,0|1,0,0]=3 11422 B12R0.1 CCCCOCSC[C@@H](O)CC#N 62a_100000001066_100011995733 [0,2,0,0,0,0|1,0,1]=4 11423 B12R0.1 CCCCOCSC[C@@H](O)CC#N 62a_100011995733_100000001066 [0,2,0,0,0,0|1,0,1]=4 11424 B12R0.1 CCCCSCCCC(=O)OCC 62a_100000210211_100009991533 [0,2,0,0,0,0|0,0,2]=4 11425 B12R0.1 CCCCSCCCC(=O)OCC 62a_100009991533_100000210210 [0,2,0,0,0,0|0,0,2]=4 11426 B12R0.1 CCCCSCCNC(C)CCC 2230a_100025743550_100000766640 [0,2,0,0,0,0|2,0,0]=4 11427 B12R0.1 CCCCSCCNC(C)CCC 270004a_100025743550_100000211909 [0,2,0,0,0,0|2,0,0]=4 11428 B12R0.1 CCCCSCCNC(C)CCO 2230a_100025743550_100009893172 [0,2,0,0,0,0|2,0,0]=4 11429 B12R0.1 CCCCSCCNC(C)COC 2230a_100025743550_100000765312 [0,2,0,0,0,0|2,0,0]=4 11430 B12R0.1 CCCCSCCNC(C)COC 270004a_100025743550_100000749346 [0,2,0,0,0,0|2,0,0]=4 11431 B12R0.1 CCCCSCCNC(C)CSC 270004a_100025743550_100011216314 [0,2,0,0,0,0|2,0,0]=4 11432 B12R0.1 CCCCSCCOC(C)CCC 34a_200000230436_100000766640 [0,2,0,0,0,0|2,0,0]=4 11433 B12R0.1 CCCCSCCOC(C)CCC 7a_200000230436_100000766640 [0,2,0,0,0,0|2,0,0]=4 11434 B12R0.1 CCCCSCCOC(C)CCO 34a_200000230436_100009893172 [0,2,0,0,0,0|2,0,0]=4 11435 B12R0.1 CCCCSCCOC(C)CCO 7a_200000230436_100009893172 [0,2,0,0,0,0|2,0,0]=4 11436 B12R0.1 CCCCSCCOC(C)COC 34a_200000230436_100000765312 [0,2,0,0,0,0|2,0,0]=4 11437 B12R0.1 CCCCSCCOC(C)COC 7a_200000230436_100000765312 [0,2,0,0,0,0|2,0,0]=4 11438 B12R0.1 CCCN(C)CCCCCCCO 2230a_100000747261_100000760002 [0,2,0,0,0,0|2,0,0]=4 11439 B12R0.1 CCCN(C)CCCCCCCO 269982a_100000747261_100000760002 [0,2,0,0,0,0|2,0,0]=4 11440 B12R0.1 CCCN(C)CCCCCCOC 2230a_100000747261_100011998445 [0,2,0,0,0,0|2,0,0]=4 11441 B12R0.1 CCCN(C)CCCCCCOC 269982a_100000747261_100011998445 [0,2,0,0,0,0|2,0,0]=4 11442 B12R0.1 CCCOCCCCC(=O)OCC 34a_100000210258_100000750268 [0,2,0,0,0,0|0,0,2]=4 11443 B12R0.1 CCCOCCCNC(C)CCC 2230a_100011217757_100000766640 [0,2,0,0,0,0|2,0,0]=4 11444 B12R0.1 CCCOCCCNC(C)CCC 270004a_100011217757_100000211909 [0,2,0,0,0,0|2,0,0]=4 11445 B12R0.1 CCCOCCCNC(C)CCC 34a_100011217757_100000766640 [0,2,0,0,0,0|2,0,0]=4 11446 B12R0.1 CCCOCCCNC(C)CCO 2230a_100011217757_100009893172 [0,2,0,0,0,0|2,0,0]=4 11447 B12R0.1 CCCOCCCNC(C)CCO 34a_100011217757_100009893172 [0,2,0,0,0,0|2,0,0]=4 11448 B12R0.1 CCCOCCCNC(C)COC 2230a_100011217757_100000765312 [0,2,0,0,0,0|2,0,0]=4 11449 B12R0.1 CCCOCCCNC(C)COC 270004a_100011217757_100000749346 [0,2,0,0,0,0|2,0,0]=4 11450 B12R0.1 CCCOCCCNC(C)COC 34a_100011217757_100000765312 [0,2,0,0,0,0|2,0,0]=4 11451 B12R0.1 CCCOCCCNC(C)CSC 270004a_100011217757_100011216314 [0,2,0,0,0,0|2,0,0]=4 11452 B12R0.1 CCCOCCNCC(C)CCC 2230a_100161115042_100011216630 [0,2,0,0,0,0|2,0,0]=4 11453 B12R0.1 CCCOCCNCC(C)CCC 270004a_100161115042_100000243154 [0,2,0,0,0,0|2,0,0]=4 11454 B12R0.1 CCCOCCNCC(C)CCC 34a_100161115042_100011216630 [0,2,0,0,0,0|2,0,0]=4 11455 B12R0.1 CCCOCCNCC(O)COC 2230a_100000756049_100011215938 [0,2,0,0,0,0|1,0,0]=3 11456 B12R0.1 CCCOCCNCC(O)COC 34a_100000756049_100011215938 [0,2,0,0,0,0|1,0,0]=3 11457 B12R0.1 CCCOCCNCC(O)COC 34a_100161115042_100011215053 [0,2,0,0,0,0|1,0,0]=3 11458 B12R0.1 CCCOCCNC[C@@H](O)CC#N 2230a_100161115042_100000001066 [0,2,0,0,0,0|1,0,1]=4 11459 B12R0.1 CCCOCCOCC(C)CCC 34a_100000688023_100011215938 [0,2,0,0,0,0|2,0,0]=4 11460 B12R0.1 CCCOCCOCC(C)CCC 34a_100000752267_100011216630 [0,2,0,0,0,0|2,0,0]=4 11461 B12R0.1 CCCOCCOCC(C)CCC 7a_100000688023_100011215938 [0,2,0,0,0,0|2,0,0]=4 11462 B12R0.1 CCCOCCOCC(C)CCC 7a_100000752267_100011216630 [0,2,0,0,0,0|2,0,0]=4 11463 B12R0.1 CCCOCCOCC(C)CCN 34a_106354213184_100011215938 [0,2,0,0,0,0|2,0,0]=4 11464 B12R0.1 CCCOCCOCC(N)COC 34a_100000724102_100011215938 [0,2,0,0,0,0|2,0,0]=4 11465 B12R0.1 CCCOCCOCC(O)COC 34a_100000752267_100011215053 [0,2,0,0,0,0|1,0,0]=3 11466 B12R0.1 CCCOCCOCC(O)COC 7a_100000752267_100011215053 [0,2,0,0,0,0|1,0,0]=3 11467 B12R0.1 CCCOCCOC[C@@H](N)CCC 34a_100000732646_100011215938 [0,2,0,0,0,0|2,0,0]=4 11468 B12R0.1 CCCOCCOC[C@@H](O)CC#N 7a_100000752267_100000001066 [0,2,0,0,0,0|1,0,1]=4 11469 B12R0.1 CCCOCCSCC(C)CCC 62a_100011215938_100011216630 [0,2,0,0,0,0|2,0,0]=4 11470 B12R0.1 CCCOCCSCC(C)CCC 62a_100011216630_100011215938 [0,2,0,0,0,0|2,0,0]=4 11471 B12R0.1 CCCOCCSCC(O)COC 62a_100011215053_100011215938 [0,2,0,0,0,0|1,0,0]=3 11472 B12R0.1 CCCOCCSCC(O)COC 62a_100011215938_100011215053 [0,2,0,0,0,0|1,0,0]=3 11473 B12R0.1 CCCOCCSC[C@@H](O)CC#N 62a_100000001066_100011215938 [0,2,0,0,0,0|1,0,1]=4 11474 B12R0.1 CCCOCCSC[C@@H](O)CC#N 62a_100011215938_100000001066 [0,2,0,0,0,0|1,0,1]=4 11475 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000210303_100000750268 [0,2,0,0,0,0|0,0,2]=4 11476 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000750268_100000210303 [0,2,0,0,0,0|0,0,2]=4 11477 B12R0.1 CCCSCCNCC(C)CCC 2230a_100020603323_100011216630 [0,2,0,0,0,0|2,0,0]=4 11478 B12R0.1 CCCSCCNCC(C)CCC 270004a_100020603323_100000243154 [0,2,0,0,0,0|2,0,0]=4 11479 B12R0.1 CCCSCCNC[C@@H](O)CC#N 2230a_100020603323_100000001066 [0,2,0,0,0,0|1,0,1]=4 11480 B12R0.1 CCCSCCOCC(C)CCC 34a_200000230433_100011216630 [0,2,0,0,0,0|2,0,0]=4 11481 B12R0.1 CCCSCCOCC(C)CCC 7a_200000230433_100011216630 [0,2,0,0,0,0|2,0,0]=4 11482 B12R0.1 CCCSCCOCC(O)COC 34a_200000230433_100011215053 [0,2,0,0,0,0|1,0,0]=3 11483 B12R0.1 CCCSCCOCC(O)COC 7a_200000230433_100011215053 [0,2,0,0,0,0|1,0,0]=3 11484 B12R0.1 CCCSCCOC[C@@H](O)CC#N 7a_200000230433_100000001066 [0,2,0,0,0,0|1,0,1]=4 11485 B12R0.1 CCC[C@H](N)CCOCCCCF 34a_100015193777_100000729493 [0,2,0,0,0,0|2,0,0]=4 11486 B12R0.1 CCC[C@H](N)CCOCCCCO 34a_100015193777_100011216708 [0,2,0,0,0,0|2,0,0]=4 11487 B12R0.1 CCC[C@H](N)CCOCCCOC 34a_100015193777_100000740836 [0,2,0,0,0,0|2,0,0]=4 11488 B12R0.1 CCC[C@H](N)CCOCCOCC 34a_100015193777_100000210147 [0,2,0,0,0,0|2,0,0]=4 11489 B12R0.1 CCC[C@H](N)CCOCCSCC 34a_100015193777_100000757381 [0,2,0,0,0,0|2,0,0]=4 11490 B12R0.1 CCC[C@H](N)COCCCCCF 34a_100000732646_100000729378 [0,2,0,0,0,0|2,0,0]=4 11491 B12R0.1 CCC[C@H](N)COCCCCCO 34a_100000732646_100000746330 [0,2,0,0,0,0|2,0,0]=4 11492 B12R0.1 CCC[C@H](N)COCCCCOC 34a_100000732646_100000755781 [0,2,0,0,0,0|2,0,0]=4 11493 B12R0.1 CCC[C@H](N)COCCCOCC 34a_100000732646_100012232248 [0,2,0,0,0,0|2,0,0]=4 11494 B12R0.1 CCNC(=O)CCCCCCCO 240690a_100015525214_100011219782 [0,2,0,0,0,0|0,0,2]=4 11495 B12R0.1 CCNCCCCCC(=O)OCC 2230a_100015525214_100000755133 [0,2,0,0,0,0|0,0,2]=4 11496 B12R0.1 CCOC(=O)CCCCCCNC 2230a_106832991635_100009814379 [0,2,0,0,0,0|0,0,2]=4 11497 B12R0.1 CCOC(=O)CCCCCCNC 34a_100102657272_100009814379 [0,2,0,0,0,0|0,0,2]=4 11498 B12R0.1 CCOC(=O)CCCCCCNC 7a_106832991635_100009814379 [0,2,0,0,0,0|0,0,2]=4 11499 B12R0.1 CCOC(=O)CCCCCCOC 34a_100138415774_100009814379 [0,2,0,0,0,0|0,0,2]=4 11500 B12R0.1 CCOC(=O)CCCCCCSC 62a_200000210301_100009814379 [0,2,0,0,0,0|0,0,2]=4 11501 B12R0.1 CCOC(=O)CCCCCCS[13CH3] 62a_200025704644_100009814379 [0,2,0,0,0,0|0,0,2]=4 11502 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000210202_100000755133 [0,2,0,0,0,0|0,0,2]=4 11503 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000755133_100000210202 [0,2,0,0,0,0|0,0,2]=4 11504 B12R0.1 CCOCCCCCC(=O)OCC 34a_100121572206_100000755133 [0,2,0,0,0,0|0,0,2]=4 11505 B12R0.1 CCOCCCCCC(=O)OCC 7a_100011214988_100000210202 [0,2,0,0,0,0|0,0,2]=4 11506 B12R0.1 CCOCCCNCC(O)COC 2230a_100000756049_100012232248 [0,2,0,0,0,0|1,0,0]=3 11507 B12R0.1 CCOCCCNCC(O)COC 34a_100000210961_100011215053 [0,2,0,0,0,0|1,0,0]=3 11508 B12R0.1 CCOCCCNCC(O)COC 34a_100000756049_100012232248 [0,2,0,0,0,0|1,0,0]=3 11509 B12R0.1 CCOCCCNC[C@@H](O)CC#N 2230a_100000210961_100000001066 [0,2,0,0,0,0|1,0,1]=4 11510 B12R0.1 CCOCCCOCC(C)CCN 34a_106354213184_100012232248 [0,2,0,0,0,0|2,0,0]=4 11511 B12R0.1 CCOCCCOCC(N)COC 34a_100000724102_100012232248 [0,2,0,0,0,0|2,0,0]=4 11512 B12R0.1 CCOCCCOCC(O)COC 34a_100000757476_100011215053 [0,2,0,0,0,0|1,0,0]=3 11513 B12R0.1 CCOCCCOCC(O)COC 7a_100000757476_100011215053 [0,2,0,0,0,0|1,0,0]=3 11514 B12R0.1 CCOCCCOC[C@@H](O)CC#N 7a_100000757476_100000001066 [0,2,0,0,0,0|1,0,1]=4 11515 B12R0.1 CCOCCCSCC(O)COC 62a_100011215053_100012232248 [0,2,0,0,0,0|1,0,0]=3 11516 B12R0.1 CCOCCCSCC(O)COC 62a_100012232248_100011215053 [0,2,0,0,0,0|1,0,0]=3 11517 B12R0.1 CCOCCCSC[C@@H](O)CC#N 62a_100000001066_100012232248 [0,2,0,0,0,0|1,0,1]=4 11518 B12R0.1 CCOCCCSC[C@@H](O)CC#N 62a_100012232248_100000001066 [0,2,0,0,0,0|1,0,1]=4 11519 B12R0.1 CCSCCCOCC(O)COC 34a_100011216438_100011215053 [0,2,0,0,0,0|1,0,0]=3 11520 B12R0.1 CCSCCCOCC(O)COC 7a_100011216438_100011215053 [0,2,0,0,0,0|1,0,0]=3 11521 B12R0.1 CCSCCCOC[C@@H](O)CC#N 7a_100011216438_100000001066 [0,2,0,0,0,0|1,0,1]=4 11522 B12R0.1 CN(CCO)CCCCCCCO 2230a_100000210263_100000760002 [0,2,0,0,0,0|2,0,0]=4 11523 B12R0.1 CN(CCO)CCCCCCCO 269982a_100000210263_100000760002 [0,2,0,0,0,0|2,0,0]=4 11524 B12R0.1 CNCCCCCOC(C)CCO 34a_100000722520_100009893172 [0,2,0,0,0,0|2,0,0]=4 11525 B12R0.1 CNCCCCCOC(C)COC 34a_100000722520_100000765312 [0,2,0,0,0,0|2,0,0]=4 11526 B12R0.1 COCC(=O)CCCCCCCO 1458a_100000210968_100000760002 [0,2,0,0,0,0|0,0,2]=4 11527 B12R0.1 COCC(C)NCCCCCCO 2230a_100000686447_100000765312 [0,2,0,0,0,0|2,0,0]=4 11528 B12R0.1 COCC(C)NCCCCCCO 270004a_100000686447_100000749346 [0,2,0,0,0,0|2,0,0]=4 11529 B12R0.1 COCC(C)NCCCCCCO 34a_100000686447_100000765312 [0,2,0,0,0,0|2,0,0]=4 11530 B12R0.1 COCC(C)OCCCCCCBr 34a_100011215345_100000765312 [0,2,0,0,0,0|2,0,0]=4 11531 B12R0.1 COCC(C)OCCCCCCBr 7a_100011215345_100000765312 [0,2,0,0,0,0|2,0,0]=4 11532 B12R0.1 COCC(C)OCCCCCCCl 34a_100000766143_100000765312 [0,2,0,0,0,0|2,0,0]=4 11533 B12R0.1 COCC(C)OCCCCCCCl 7a_100000766143_100000765312 [0,2,0,0,0,0|2,0,0]=4 11534 B12R0.1 COCC(C)OCCCCCCF 34a_100000732779_100000765312 [0,2,0,0,0,0|2,0,0]=4 11535 B12R0.1 COCC(C)OCCCCCCF 7a_100000732779_100000765312 [0,2,0,0,0,0|2,0,0]=4 11536 B12R0.1 COCC(C)OCCCCCCN 34a_100000686447_100000765312 [0,2,0,0,0,0|2,0,0]=4 11537 B12R0.1 COCC(C)SCCCCCCF 62a_100000765312_100015922095 [0,2,0,0,0,0|2,0,0]=4 11538 B12R0.1 COCC(C)SCCCCCCF 62a_100015922095_100000765312 [0,2,0,0,0,0|2,0,0]=4 11539 B12R0.1 COCC(C)SCCCCCCO 62a_100000765312_100000766143 [0,2,0,0,0,0|2,0,0]=4 11540 B12R0.1 COCC(C)SCCCCCCO 62a_100000766143_100000765312 [0,2,0,0,0,0|2,0,0]=4 11541 B12R0.1 COCC(N)COCCCCCF 34a_100000724102_100000729378 [0,2,0,0,0,0|2,0,0]=4 11542 B12R0.1 COCC(N)COCCCCCO 34a_100000724102_100000746330 [0,2,0,0,0,0|2,0,0]=4 11543 B12R0.1 COCC(O)CNCCCCC#N 2230a_100000756049_100000211819 [0,2,0,0,0,0|1,0,1]=4 11544 B12R0.1 COCC(O)CNCCCCC=O 2230a_100000756049_100000139335 [0,2,0,0,0,0|1,0,1]=4 11545 B12R0.1 COCC(O)CNCCCCCF 2230a_100000756049_100000729378 [0,2,0,0,0,0|1,0,0]=3 11546 B12R0.1 COCC(O)CNCCCCCF 34a_100000756049_100000729378 [0,2,0,0,0,0|1,0,0]=3 11547 B12R0.1 COCC(O)CNCCCCCO 2230a_100000756049_100000746330 [0,2,0,0,0,0|1,0,0]=3 11548 B12R0.1 COCC(O)CNCCCCCO 34a_100000756049_100000746330 [0,2,0,0,0,0|1,0,0]=3 11549 B12R0.1 COCC(O)CNCCCCCO 34a_100000762737_100011215053 [0,2,0,0,0,0|1,0,0]=3 11550 B12R0.1 COCC(O)CNCCOCCO 2230a_100000756049_100011215305 [0,2,0,0,0,0|2,0,0]=4 11551 B12R0.1 COCC(O)CNCCOCCO 34a_100000211614_100011215053 [0,2,0,0,0,0|2,0,0]=4 11552 B12R0.1 COCC(O)CNCCOCCO 34a_100000756049_100000692535 [0,2,0,0,0,0|2,0,0]=4 11553 B12R0.1 COCC(O)COCCCCCBr 34a_100000746331_100011215053 [0,2,0,0,0,0|1,0,0]=3 11554 B12R0.1 COCC(O)COCCCCCBr 7a_100000746331_100011215053 [0,2,0,0,0,0|1,0,0]=3 11555 B12R0.1 COCC(O)COCCCCCCl 34a_100000746330_100011215053 [0,2,0,0,0,0|1,0,0]=3 11556 B12R0.1 COCC(O)COCCCCCCl 7a_100000746330_100011215053 [0,2,0,0,0,0|1,0,0]=3 11557 B12R0.1 COCC(O)COCCCCCI 34a_200012148887_100011215053 [0,2,0,0,0,0|1,0,0]=3 11558 B12R0.1 COCC(O)COCCCCCI 7a_200012148887_100011215053 [0,2,0,0,0,0|1,0,0]=3 11559 B12R0.1 COCC(O)COCCCCCN 34a_100000762737_100011215053 [0,2,0,0,0,0|1,0,0]=3 11560 B12R0.1 COCC(O)COCCCCSC 34a_100011217163_100011215053 [0,2,0,0,0,0|1,0,0]=3 11561 B12R0.1 COCC(O)COCCCCSC 7a_100011217163_100011215053 [0,2,0,0,0,0|1,0,0]=3 11562 B12R0.1 COCC(O)COCCOCCBr 34a_100000692535_100011215053 [0,2,0,0,0,0|2,0,0]=4 11563 B12R0.1 COCC(O)COCCOCCBr 7a_100000692535_100011215053 [0,2,0,0,0,0|2,0,0]=4 11564 B12R0.1 COCC(O)COCCOCCCl 34a_100011215305_100011215053 [0,2,0,0,0,0|2,0,0]=4 11565 B12R0.1 COCC(O)COCCOCCCl 7a_100011215305_100011215053 [0,2,0,0,0,0|2,0,0]=4 11566 B12R0.1 COCC(O)COCCOCCF 34a_200015357709_100011215053 [0,2,0,0,0,0|2,0,0]=4 11567 B12R0.1 COCC(O)COCCOCCF 7a_200015357709_100011215053 [0,2,0,0,0,0|2,0,0]=4 11568 B12R0.1 COCC(O)COCCOCCI 34a_100012149058_100011215053 [0,2,0,0,0,0|2,0,0]=4 11569 B12R0.1 COCC(O)COCCOCCI 7a_100012149058_100011215053 [0,2,0,0,0,0|2,0,0]=4 11570 B12R0.1 COCC(O)COCCOCCN 34a_100000211614_100011215053 [0,2,0,0,0,0|2,0,0]=4 11571 B12R0.1 COCC(O)CSCCCCC#N 62a_100011215053_100000211819 [0,2,0,0,0,0|1,0,1]=4 11572 B12R0.1 COCC(O)CSCCCCC#N 62a_100011219923_100011215053 [0,2,0,0,0,0|1,0,1]=4 11573 B12R0.1 COCC(O)CSCCCCC=O 62a_100000139335_100011215053 [0,2,0,0,0,0|1,0,1]=4 11574 B12R0.1 COCC(O)CSCCCCC=O 62a_100011215053_100000139335 [0,2,0,0,0,0|1,0,1]=4 11575 B12R0.1 COCC(O)CSCCCCCF 62a_100000729378_100011215053 [0,2,0,0,0,0|1,0,0]=3 11576 B12R0.1 COCC(O)CSCCCCCF 62a_100011215053_100000729378 [0,2,0,0,0,0|1,0,0]=3 11577 B12R0.1 COCC(O)CSCCCCCO 62a_100000746330_100011215053 [0,2,0,0,0,0|1,0,0]=3 11578 B12R0.1 COCC(O)CSCCCCCO 62a_100011215053_100000746330 [0,2,0,0,0,0|1,0,0]=3 11579 B12R0.1 COCC(O)CSCCOCCO 62a_100011215053_100011215305 [0,2,0,0,0,0|2,0,0]=4 11580 B12R0.1 COCC(O)CSCCOCCO 62a_100011215305_100011215053 [0,2,0,0,0,0|2,0,0]=4 11581 B12R0.1 COCCCCCCC(=O)CCO 1458a_100011216618_100011998445 [0,2,0,0,0,0|0,0,2]=4 11582 B12R0.1 COCCCCCCC(=O)COC 1458a_100000210968_100011998445 [0,2,0,0,0,0|0,0,2]=4 11583 B12R0.1 COCCCCCCC(=O)CSC 1458a_100000184570_100011998445 [0,2,0,0,0,0|0,0,2]=4 11584 B12R0.1 COCCCCCCN(C)CCO 2230a_100000210263_100011998445 [0,2,0,0,0,0|2,0,0]=4 11585 B12R0.1 COCCCCCCN(C)CCO 269982a_100000210263_100011998445 [0,2,0,0,0,0|2,0,0]=4 11586 B12R0.1 COCCCCCNC(C)CCO 2230a_100000747528_100009893172 [0,2,0,0,0,0|2,0,0]=4 11587 B12R0.1 COCCCCCNC(C)CCO 34a_100000747528_100009893172 [0,2,0,0,0,0|2,0,0]=4 11588 B12R0.1 COCCCCCNC(C)COC 2230a_100000747528_100000765312 [0,2,0,0,0,0|2,0,0]=4 11589 B12R0.1 COCCCCCNC(C)COC 270004a_100000747528_100000749346 [0,2,0,0,0,0|2,0,0]=4 11590 B12R0.1 COCCCCCNC(C)COC 34a_100000747528_100000765312 [0,2,0,0,0,0|2,0,0]=4 11591 B12R0.1 COCCCCCNC(C)CSC 270004a_100000747528_100011216314 [0,2,0,0,0,0|2,0,0]=4 11592 B12R0.1 COCCCCNCC(O)COC 2230a_100000756049_100000730899 [0,2,0,0,0,0|1,0,0]=3 11593 B12R0.1 COCCCCNCC(O)COC 34a_100000756049_100000755781 [0,2,0,0,0,0|1,0,0]=3 11594 B12R0.1 COCCCCOCC(C)CCN 34a_106354213184_100000755781 [0,2,0,0,0,0|2,0,0]=4 11595 B12R0.1 COCCCCOCC(N)COC 34a_100000724102_100000755781 [0,2,0,0,0,0|2,0,0]=4 11596 B12R0.1 COCCCCOCC(O)COC 34a_100000740925_100011215053 [0,2,0,0,0,0|1,0,0]=3 11597 B12R0.1 COCCCCSCC(O)COC 62a_100000730899_100011215053 [0,2,0,0,0,0|1,0,0]=3 11598 B12R0.1 COCCCCSCC(O)COC 62a_100011215053_100000730899 [0,2,0,0,0,0|1,0,0]=3 11599 B12R0.1 COCCCCSC[C@@H](O)CC#N 62a_100000001066_100000730899 [0,2,0,0,0,0|1,0,1]=4 11600 B12R0.1 COCCCCSC[C@@H](O)CC#N 62a_100000730899_100000001066 [0,2,0,0,0,0|1,0,1]=4 11601 B12R0.1 COCCOCNCC(O)COC 2230a_100000756049_100000231047 [0,2,0,0,0,0|2,0,0]=4 11602 B12R0.1 COCCOCSCC(O)COC 62a_100000231047_100011215053 [0,2,0,0,0,0|2,0,0]=4 11603 B12R0.1 COCCOCSCC(O)COC 62a_100011215053_100000231047 [0,2,0,0,0,0|2,0,0]=4 11604 B12R0.1 COC[C@@H](C)NCCCCCCF 2230a_100000764878_100015922095 [0,2,0,0,0,0|2,0,0]=4 11605 B12R0.1 COC[C@@H](C)NCCCCCCO 2230a_100000764878_100000766143 [0,2,0,0,0,0|2,0,0]=4 11606 B12R0.1 COC[C@@H](C)OCCCCCCF 34a_100011934205_100015922095 [0,2,0,0,0,0|2,0,0]=4 11607 B12R0.1 COC[C@@H](C)OCCCCCCO 34a_100011934205_100000766143 [0,2,0,0,0,0|2,0,0]=4 11608 B12R0.1 CSCC(=O)CCCCCCCO 1458a_100000184570_100000760002 [0,2,0,0,0,0|0,0,2]=4 11609 B12R0.1 CSCC(C)NCCCCCCO 270004a_100000686447_100011216314 [0,2,0,0,0,0|2,0,0]=4 11610 B12R0.1 CSCCCCOC[C@@H](O)CC#N 7a_100011217163_100000001066 [0,2,0,0,0,0|1,0,1]=4 11611 B12R0.1 C[C@H](CCO)NCCCCCCF 2230a_100000706166_100015922095 [0,2,0,0,0,0|2,0,0]=4 11612 B12R0.1 C[C@H](CCO)NCCCCCCF 34a_100000706166_100015922095 [0,2,0,0,0,0|2,0,0]=4 11613 B12R0.1 C[C@H](CCO)NCCCCCCO 2230a_100000706166_100000766143 [0,2,0,0,0,0|2,0,0]=4 11614 B12R0.1 C[C@H](CCO)NCCCCCCO 34a_100000706166_100000766143 [0,2,0,0,0,0|2,0,0]=4 11615 B12R0.1 N#CC[C@H](O)CNCCCCCO 2230a_100000762737_100000001066 [0,2,0,0,0,0|1,0,1]=4 11616 B12R0.1 N#CC[C@H](O)COCCCCCBr 7a_100000746331_100000001066 [0,2,0,0,0,0|1,0,1]=4 11617 B12R0.1 N#CC[C@H](O)COCCCCCCl 7a_100000746330_100000001066 [0,2,0,0,0,0|1,0,1]=4 11618 B12R0.1 N#CC[C@H](O)COCCCCCI 7a_200012148887_100000001066 [0,2,0,0,0,0|1,0,1]=4 11619 B12R0.1 N#CC[C@H](O)CSCCCCCF 62a_100000001066_100000729378 [0,2,0,0,0,0|1,0,1]=4 11620 B12R0.1 N#CC[C@H](O)CSCCCCCF 62a_100000729378_100000001066 [0,2,0,0,0,0|1,0,1]=4 11621 B12R0.1 N#CC[C@H](O)CSCCCCCO 62a_100000001066_100000746330 [0,2,0,0,0,0|1,0,1]=4 11622 B12R0.1 N#CC[C@H](O)CSCCCCCO 62a_100000746330_100000001066 [0,2,0,0,0,0|1,0,1]=4 11623 B12R0.1 O=C(CCF)CCCCCCCO 1458a_100011219782_100011217306 [0,2,0,0,0,0|0,0,2]=4 11624 B12R0.1 O=C(CCO)CCCCCCCO 1458a_100011216618_100000760002 [0,2,0,0,0,0|0,0,2]=4 11625 B12R0.1 O=C(CCO)CCCCCCCO 1458a_100011219782_100000211926 [0,2,0,0,0,0|0,0,2]=4 11626 B12R0.4 C=C(C)CC(=O)CCCCCCC 1458a_100000211969_100000748629 [0,2,0,0,0,0|0,0,2]=4 11627 B12R0.4 C=C(C)CN(C)CCCCCCC 2230a_100000225649_100000210681 [0,2,0,0,0,0|2,0,0]=4 11628 B12R0.4 C=C(C)CN(C)CCCCCCC 2230a_100000228206_100000748629 [0,2,0,0,0,0|2,0,0]=4 11629 B12R0.4 C=C(C)CN(C)CCCCCCC 269982a_100000225649_100000210681 [0,2,0,0,0,0|2,0,0]=4 11630 B12R0.4 C=C(C)CN(C)CCCCCCC 269982a_100000228206_100000748629 [0,2,0,0,0,0|2,0,0]=4 11631 B12R0.4 CCCCCCCC(=O)CC(C)C 1458a_100000210554_100000210614 [0,2,0,0,0,0|0,0,2]=4 11632 B12R0.4 CCCCCCCC(=O)CC(C)C 1458a_100000211969_100000210624 [0,2,0,0,0,0|0,0,2]=4 11633 B12R0.4 CCCCCCCC(=O)CC(C)O 1458a_100000211969_100011218427 [0,2,0,0,0,0|0,0,2]=4 11634 B12R0.4 CCCCCCCC(=O)CC(F)F 1458a_100000211969_100011934356 [0,2,0,0,0,0|0,0,2]=4 11635 B12R0.4 CCCCCCCC(=O)CN(C)C 1458a_100000750896_100000210614 [0,2,0,0,0,0|0,0,2]=4 11636 B12R0.4 CCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210614 [0,2,0,0,0,0|0,0,2]=4 11637 B12R0.4 CCCCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210614 [0,2,0,0,0,0|0,0,2]=4 11638 B12R0.4 CCCCCCCC(=O)NC(C)C 11a_100138425928_100000211969 [0,2,0,0,0,0|0,0,2]=4 11639 B12R0.4 CCCCCCCC(=O)NC(C)C 1626a_100138425928_100000211969 [0,2,0,0,0,0|0,0,2]=4 11640 B12R0.4 CCCCCCCC(=O)NC(C)C 240690a_100138425928_100000211969 [0,2,0,0,0,0|0,0,2]=4 11641 B12R0.4 CCCCCCCC(=O)NC(C)C 527a_100138425928_100000211969 [0,2,0,0,0,0|0,0,2]=4 11642 B12R0.4 CCCCCCCC(C)NC(C)C 2230a_100138425928_200011218727 [0,2,0,0,0,0|1,0,0]=3 11643 B12R0.4 CCCCCCCC(C)NC(C)C 34a_100138425928_200011218727 [0,2,0,0,0,0|1,0,0]=3 11644 B12R0.4 CCCCCCCC(C)OC(C)C 34a_100000212225_200011218727 [0,2,0,0,0,0|1,0,0]=3 11645 B12R0.4 CCCCCCCC(C)OC(C)C 34a_200011215852_100000210206 [0,2,0,0,0,0|1,0,0]=3 11646 B12R0.4 CCCCCCCC(C)OC(C)C 7a_200011215852_100000210206 [0,2,0,0,0,0|1,0,0]=3 11647 B12R0.4 CCCCCCCC(C)SC(C)C 62a_100000210206_200011218727 [0,2,0,0,0,0|1,0,0]=3 11648 B12R0.4 CCCCCCCC(C)SC(C)C 62a_200011218727_100000210206 [0,2,0,0,0,0|1,0,0]=3 11649 B12R0.4 CCCCCCCC(O)CC(=O)C 1458a_200011667753_200000210301 [0,2,0,0,0,0|0,0,0]=2 11650 B12R0.4 CCCCCCCC(O)CC(=O)[13CH3] 1458a_200011667753_200025704644 [0,2,0,0,0,0|0,0,0]=2 11651 B12R0.4 CCCCCCCN(C)CC(C)C 2230a_100000228206_100000210760 [0,2,0,0,0,0|2,0,0]=4 11652 B12R0.4 CCCCCCCN(C)CC(C)C 2230a_100000747067_100000210681 [0,2,0,0,0,0|2,0,0]=4 11653 B12R0.4 CCCCCCCN(C)CC(C)C 269982a_100000228206_100000210624 [0,2,0,0,0,0|2,0,0]=4 11654 B12R0.4 CCCCCCCN(C)CC(C)C 269982a_100000747067_100000210681 [0,2,0,0,0,0|2,0,0]=4 11655 B12R0.4 CCCCCCCN(C)CC(C)C 270004a_100000228206_100000210432 [0,2,0,0,0,0|2,0,0]=4 11656 B12R0.4 CCCCCCCN(C)CC(C)O 2230a_100000227577_100000210681 [0,2,0,0,0,0|2,0,0]=4 11657 B12R0.4 CCCCCCCN(C)CC(C)O 2230a_100000228206_100011218427 [0,2,0,0,0,0|2,0,0]=4 11658 B12R0.4 CCCCCCCN(C)CC(C)O 269982a_100000227577_100000210681 [0,2,0,0,0,0|2,0,0]=4 11659 B12R0.4 CCCCCCCN(C)CC(C)O 269982a_100000228206_100011218427 [0,2,0,0,0,0|2,0,0]=4 11660 B12R0.4 CCCCCCCN(C)CC(F)F 2230a_100000228206_100011934356 [0,2,0,0,0,0|2,0,0]=4 11661 B12R0.4 CCCCCCCN(C)CC(F)F 269982a_100000228206_100011934356 [0,2,0,0,0,0|2,0,0]=4 11662 B12R0.4 CCCCCCCN(C)C[C@@H](C)O 2230a_100000228206_100009817552 [0,2,0,0,0,0|2,0,0]=4 11663 B12R0.4 CCCCCCCN(C)C[C@@H](C)O 269982a_100000228206_100009817552 [0,2,0,0,0,0|2,0,0]=4 11664 B12R0.4 CCCCCCNC(C)CC(C)C 2230a_100000210581_100000731052 [0,2,0,0,0,0|2,0,0]=4 11665 B12R0.4 CCCCCCNC(C)CC(C)C 2230a_100000692259_100000210314 [0,2,0,0,0,0|2,0,0]=4 11666 B12R0.4 CCCCCCOC(C)CC(C)C 34a_100000210259_100000731052 [0,2,0,0,0,0|2,0,0]=4 11667 B12R0.4 CCCCCCOC(C)CC(C)C 34a_100000211805_100000210314 [0,2,0,0,0,0|2,0,0]=4 11668 B12R0.4 CCCCCCOC(C)CC(C)C 7a_100000210259_100000731052 [0,2,0,0,0,0|2,0,0]=4 11669 B12R0.4 CCCCCCOC(C)CC(C)C 7a_100000211805_100000210314 [0,2,0,0,0,0|2,0,0]=4 11670 B12R0.4 CCCCCCSC(C)CC(C)C 62a_100000210314_100000731052 [0,2,0,0,0,0|2,0,0]=4 11671 B12R0.4 CCCCCCSC(C)CC(C)C 62a_100000731052_100000210757 [0,2,0,0,0,0|2,0,0]=4 11672 B12R0.4 CCCCCCSC(C)CN(C)C 62a_100000210314_100020606517 [0,2,0,0,0,0|2,0,0]=4 11673 B12R0.4 CCCCCCSC(C)CN(C)C 62a_100020606517_100000210757 [0,2,0,0,0,0|2,0,0]=4 11674 B12R0.4 CCCCCNCC(C)CN(C)C 2230a_100000209983_100015348159 [0,2,0,0,0,0|2,0,0]=4 11675 B12R0.4 CCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210326 [0,2,0,0,0,0|1,0,1]=4 11676 B12R0.4 CCCCCOCC(C)CN(C)C 7a_100000210253_100015348159 [0,2,0,0,0,0|2,0,0]=4 11677 B12R0.4 CCCCCOC[C@@H](N)CC(C)C 34a_100011830311_100000718602 [0,2,0,0,0,0|2,0,0]=4 11678 B12R0.4 CCCCCSCC(C)CN(C)C 62a_100000210326_100015348159 [0,2,0,0,0,0|2,0,0]=4 11679 B12R0.4 CCCCCSCC(C)CN(C)C 62a_100015348159_100000210326 [0,2,0,0,0,0|2,0,0]=4 11680 B12R0.4 CCCCOCC[C@@H](N)CC(C)C 34a_100161151251_100000210210 [0,2,0,0,0,0|2,0,0]=4 11681 B12R0.49 C#CC(C)C(=O)CCCCCCC 1458a_100000211969_200000035995 [0,2,0,0,0,0|0,0,2]=4 11682 B12R0.49 C#CCCCCCC(=O)C(O)CC 1458a_100011196387_100012094781 [0,2,0,0,0,0|0,0,2]=4 11683 B12R0.49 C=CC(C)C(=O)CCCCCCC 1458a_100011216780_100000210614 [0,2,0,0,0,0|0,0,2]=4 11684 B12R0.49 C=CC(C)N(C)CCCCCCC 269982a_100000228206_100011215867 [0,2,0,0,0,0|2,0,0]=4 11685 B12R0.49 C=CCCCCCC(=O)C(O)CC 1458a_100011196387_100000700193 [0,2,0,0,0,0|0,0,2]=4 11686 B12R0.49 C=C[C@@H](C)[C@@H](C)OCCCCCC 34a_100015455354_100000210314 [0,2,0,0,0,0|2,0,0]=4 11687 B12R0.49 C=C[C@@H](C)[C@@H](C)OCCCCCC 7a_100015455354_100000210314 [0,2,0,0,0,0|2,0,0]=4 11688 B12R0.49 CCC(C)C(=O)CCCCCCF 1458a_100011192722_100015922095 [0,2,0,0,0,0|1,0,1]=4 11689 B12R0.49 CCC(C)C(=O)CCCCCCO 1458a_100011192722_100000766143 [0,2,0,0,0,0|1,0,1]=4 11690 B12R0.49 CCC(C)C(=O)CCCCCCO 1458a_100011996774_100000758301 [0,2,0,0,0,0|1,0,1]=4 11691 B12R0.49 CCC(C)C(=O)CCCCCOC 1458a_100011935119_100000758301 [0,2,0,0,0,0|1,0,1]=4 11692 B12R0.49 CCC(C)C(C)NCCCCCO 269862a_100000762737_100000210599 [0,2,0,0,0,0|2,0,0]=4 11693 B12R0.49 CCC(C)C(C)NCCCCCO 270004a_100000762737_100000210599 [0,2,0,0,0,0|2,0,0]=4 11694 B12R0.49 CCC(C)C(C)OCCCCCF 7a_100011215189_100000729378 [0,2,0,0,0,0|2,0,0]=4 11695 B12R0.49 CCC(C)C(C)OCCCCCO 7a_100011215189_100000746330 [0,2,0,0,0,0|2,0,0]=4 11696 B12R0.49 CCC(C)C(C)OCCCCOC 7a_100011215189_100000730899 [0,2,0,0,0,0|2,0,0]=4 11697 B12R0.49 CCC(C)N(C)CCCCCCF 2230a_100000741768_100015922095 [0,2,0,0,0,0|2,0,0]=4 11698 B12R0.49 CCC(C)N(C)CCCCCCF 269982a_100000741768_100015922095 [0,2,0,0,0,0|2,0,0]=4 11699 B12R0.49 CCC(C)N(C)CCCCCCO 2230a_100000741768_100000766143 [0,2,0,0,0,0|2,0,0]=4 11700 B12R0.49 CCC(C)N(C)CCCCCCO 269982a_100000741768_100000766143 [0,2,0,0,0,0|2,0,0]=4 11701 B12R0.49 CCC(O)C(=O)CCCCCC#N 1458a_100011196387_100009813376 [0,2,0,0,0,0|0,0,2]=4 11702 B12R0.49 CCC(O)C(=O)CCCCCCF 1458a_100011196387_100015922095 [0,2,0,0,0,0|0,0,1]=3 11703 B12R0.49 CCC(O)C(=O)CCCCCCO 1458a_100011196387_100000766143 [0,2,0,0,0,0|0,0,1]=3 11704 B12R0.49 CCC(O)C(=O)CCOCCOC 1458a_100011196387_100000695917 [0,2,0,0,0,0|1,0,1]=4 11705 B12R0.49 CCC(O)C(=O)NCCCCCO 240690a_100000762737_100011196387 [0,2,0,0,0,0|1,0,1]=4 11706 B12R0.49 CCCCCCCC(=O)C(C)C#N 1458a_100000211969_100000703298 [0,2,0,0,0,0|0,0,2]=4 11707 B12R0.49 CCCCCCCC(=O)C(C)C#N 1458a_100000753662_100000210614 [0,2,0,0,0,0|0,0,2]=4 11708 B12R0.49 CCCCCCCC(=O)C(C)CC 1458a_100000211969_100000758301 [0,2,0,0,0,0|1,0,0]=3 11709 B12R0.49 CCCCCCCC(=O)C(C)CC 1458a_100011192722_100000210614 [0,2,0,0,0,0|1,0,0]=3 11710 B12R0.49 CCCCCCCC(=O)C(C)OC 1458a_100000743197_100000210614 [0,2,0,0,0,0|0,0,2]=4 11711 B12R0.49 CCCCCCCC(=O)C(C)SC 1458a_100000149566_100000210614 [0,2,0,0,0,0|0,0,2]=4 11712 B12R0.49 CCCCCCCC(=O)C(O)CC 1458a_100011196387_100000210614 [0,2,0,0,0,0|0,0,0]=2 11713 B12R0.49 CCCCCCCC(=O)C(O)CO 1458a_100011215603_100000210614 [0,2,0,0,0,0|1,0,0]=3 11714 B12R0.49 CCCCCCCC(=O)N(C)CC 11a_100000225621_100000211969 [0,2,0,0,0,0|0,0,2]=4 11715 B12R0.49 CCCCCCCC(=O)N(C)CC 1626a_100000225621_100000211969 [0,2,0,0,0,0|0,0,2]=4 11716 B12R0.49 CCCCCCCC(=O)N(C)CC 240690a_100000225621_100000211969 [0,2,0,0,0,0|0,0,2]=4 11717 B12R0.49 CCCCCCCC(=O)N(C)CC 527a_100000225621_100000211969 [0,2,0,0,0,0|0,0,2]=4 11718 B12R0.49 CCCCCCCC(C)C(=O)CC 1458a_100000210414_200011218727 [0,2,0,0,0,0|1,0,0]=3 11719 B12R0.49 CCCCCCCC(C)C(=O)CO 1458a_100000210174_200011218727 [0,2,0,0,0,0|1,0,1]=4 11720 B12R0.49 CCCCCCCC(C)N(C)CC 2230a_100000225621_200011218727 [0,2,0,0,0,0|1,0,0]=3 11721 B12R0.49 CCCCCCCC(C)N(C)CC 269982a_100000225621_200011218727 [0,2,0,0,0,0|1,0,0]=3 11722 B12R0.49 CCCCCCCN(C)C(=O)CC 11a_100000228206_100000210414 [0,2,0,0,0,0|0,0,2]=4 11723 B12R0.49 CCCCCCCN(C)C(=O)CC 1626a_100000228206_100000210414 [0,2,0,0,0,0|0,0,2]=4 11724 B12R0.49 CCCCCCCN(C)C(=O)CC 240690a_100000228206_100000210414 [0,2,0,0,0,0|0,0,2]=4 11725 B12R0.49 CCCCCCCN(C)C(=O)CC 527a_100000228206_100000210414 [0,2,0,0,0,0|0,0,2]=4 11726 B12R0.49 CCCCCCCN(C)C(C)C#N 2230a_100000228206_100000184139 [0,2,0,0,0,0|2,0,0]=4 11727 B12R0.49 CCCCCCCN(C)C(C)C#N 269982a_100000228206_100000703298 [0,2,0,0,0,0|2,0,0]=4 11728 B12R0.49 CCCCCCCN(C)C(C)CC 2230a_100000228206_100000758301 [0,2,0,0,0,0|1,0,0]=3 11729 B12R0.49 CCCCCCCN(C)C(C)CC 2230a_100000741768_100000210681 [0,2,0,0,0,0|1,0,0]=3 11730 B12R0.49 CCCCCCCN(C)C(C)CC 269982a_100000228206_100000758301 [0,2,0,0,0,0|1,0,0]=3 11731 B12R0.49 CCCCCCCN(C)C(C)CC 269982a_100000741768_100000210681 [0,2,0,0,0,0|1,0,0]=3 11732 B12R0.49 CCCCCCCN(C)C(C)CO 2230a_100000228206_100012180447 [0,2,0,0,0,0|2,0,0]=4 11733 B12R0.49 CCCCCCCN(C)C(C)CO 2230a_100000693034_100000210681 [0,2,0,0,0,0|2,0,0]=4 11734 B12R0.49 CCCCCCCN(C)C(C)CO 269982a_100000693034_100000210681 [0,2,0,0,0,0|2,0,0]=4 11735 B12R0.49 CCCCCCCN(C)C(C)OC 269982a_100000228206_100009879195 [0,2,0,0,0,0|2,0,0]=4 11736 B12R0.49 CCCCCCCN(C)[C@H](C)CO 269982a_100000228206_100016084084 [0,2,0,0,0,0|2,0,0]=4 11737 B12R0.49 CCCCCCNC(=O)C(C)CC 11a_100000210581_100011192722 [0,2,0,0,0,0|1,0,1]=4 11738 B12R0.49 CCCCCCNC(=O)C(C)CC 1626a_100000210581_100011192722 [0,2,0,0,0,0|1,0,1]=4 11739 B12R0.49 CCCCCCNC(=O)C(C)CC 240690a_100000210581_100011192722 [0,2,0,0,0,0|1,0,1]=4 11740 B12R0.49 CCCCCCNC(=O)C(C)CC 527a_100000210581_100011192722 [0,2,0,0,0,0|1,0,1]=4 11741 B12R0.49 CCCCCCNC(=O)C(O)CC 240690a_100000210581_100011196387 [0,2,0,0,0,0|0,0,1]=3 11742 B12R0.49 CCCCCCNC(=O)C(O)CO 240690a_100000210581_100011215603 [0,2,0,0,0,0|1,0,1]=4 11743 B12R0.49 CCCCCCNC(C)C(=O)CC 2230a_100000210581_100000742827 [0,2,0,0,0,0|0,0,2]=4 11744 B12R0.49 CCCCCCNC(C)C(C)CC 269862a_100000210581_100000210599 [0,2,0,0,0,0|1,0,0]=3 11745 B12R0.49 CCCCCCNC(C)C(C)CC 270004a_100000210581_100000210599 [0,2,0,0,0,0|1,0,0]=3 11746 B12R0.49 CCCCCCOC(C)C(=O)CC 7a_100000210259_100000742827 [0,2,0,0,0,0|0,0,2]=4 11747 B12R0.49 CCCCCCOC(C)C(C)CC 7a_100011215189_100000210314 [0,2,0,0,0,0|1,0,0]=3 11748 B12R0.49 CCCCCCSC(C)C(=O)CC 62a_100000210314_100000742827 [0,2,0,0,0,0|0,0,2]=4 11749 B12R0.49 CCCCCCSC(C)C(=O)CC 62a_100000742827_100000210757 [0,2,0,0,0,0|0,0,2]=4 11750 B12R0.49 CCCCCNNC(=O)C(O)CC 22a_100000694160_100011196387 [0,2,0,0,0,0|1,0,1]=4 11751 B12R0.49 CCCCCOCC(C)N(C)CC 7a_100000732741_100000210326 [0,2,0,0,0,0|2,0,0]=4 11752 B12R0.49 CCCCOCCC(=O)C(C)CC 1458a_100011192722_100000743108 [0,2,0,0,0,0|1,0,1]=4 11753 B12R0.49 CCCCOCCC(=O)C(O)CC 1458a_100011196387_100000743108 [0,2,0,0,0,0|0,0,1]=3 11754 B12R0.49 CCCCOCCC(=O)C(O)CO 1458a_100011215603_100000743108 [0,2,0,0,0,0|1,0,1]=4 11755 B12R0.49 CCCCOCCN(C)C(C)CC 2230a_100000741768_100000743108 [0,2,0,0,0,0|2,0,0]=4 11756 B12R0.49 CCCCOCCN(C)C(C)CC 269982a_100000741768_100000743108 [0,2,0,0,0,0|2,0,0]=4 11757 B12R0.49 CCCOCCNC(=O)C(O)CC 240690a_100161115042_100011196387 [0,2,0,0,0,0|1,0,1]=4 11758 B12R0.49 CCCOCCNC(C)C(C)CC 269862a_100161115042_100000210599 [0,2,0,0,0,0|2,0,0]=4 11759 B12R0.49 CCCOCCNC(C)C(C)CC 270004a_100161115042_100000210599 [0,2,0,0,0,0|2,0,0]=4 11760 B12R0.49 CCCOCCOC(C)C(C)CC 7a_100011215189_100011215938 [0,2,0,0,0,0|2,0,0]=4 11761 B12R0.49 CCCSCCNC(=O)C(O)CC 240690a_100020603323_100011196387 [0,2,0,0,0,0|1,0,1]=4 11762 B12R0.49 CCCSCCNC(C)C(C)CC 269862a_100020603323_100000210599 [0,2,0,0,0,0|2,0,0]=4 11763 B12R0.49 CCCSCCNC(C)C(C)CC 270004a_100020603323_100000210599 [0,2,0,0,0,0|2,0,0]=4 11764 B12R0.49 CCOCCCNC(=O)C(O)CC 240690a_100000210961_100011196387 [0,2,0,0,0,0|1,0,1]=4 11765 B12R0.49 CCOCCCNC(C)C(C)CC 269862a_100000210961_100000210599 [0,2,0,0,0,0|2,0,0]=4 11766 B12R0.49 CCOCCCNC(C)C(C)CC 270004a_100000210961_100000210599 [0,2,0,0,0,0|2,0,0]=4 11767 B12R0.49 CCOCCCOC(C)C(C)CC 7a_100011215189_100012232248 [0,2,0,0,0,0|2,0,0]=4 11768 B12R0.49 O=C(CCCCCCF)C(O)CO 1458a_100011215603_100015922095 [0,2,0,0,0,0|1,0,1]=4 11769 B12R0.49 O=C(CCCCCCO)C(O)CO 1458a_100011215603_100000766143 [0,2,0,0,0,0|1,0,1]=4 11770 B12R0.101 CCCCC(=O)NCC(O)COC 240690a_100000756049_100000210183 [0,2,0,0,0,0|1,0,1]=4 11771 B12R0.101 CCCCC(=O)NCC(O)COC 527a_100000756049_100000210183 [0,2,0,0,0,0|1,0,1]=4 11772 B12R0.101 CCCCC(C)CCC(=O)CCC 1458a_100000033779_100000210303 [0,2,0,0,0,0|0,0,2]=4 11773 B12R0.101 CCCCC(C)CCC(=O)CCF 1458a_100000033779_100011217306 [0,2,0,0,0,0|0,0,2]=4 11774 B12R0.101 CCCCC(C)CCC(=O)CCO 1458a_100000033779_100000211926 [0,2,0,0,0,0|0,0,2]=4 11775 B12R0.101 CCCCC(C)CCC(=O)NCC 11a_100015525214_100000033779 [0,2,0,0,0,0|0,0,2]=4 11776 B12R0.101 CCCCC(C)CCC(=O)NCC 240690a_100015525214_100000033779 [0,2,0,0,0,0|0,0,2]=4 11777 B12R0.101 CCCCC(C)CCC(=O)NCC 527a_100015525214_100000033779 [0,2,0,0,0,0|0,0,2]=4 11778 B12R0.101 CCCCC(C)COC(C)CCC 34a_100011995851_100000766640 [0,2,0,0,0,0|2,0,0]=4 11779 B12R0.101 CCCCC(C)COC(C)CCC 7a_100011995851_100000766640 [0,2,0,0,0,0|2,0,0]=4 11780 B12R0.101 CCCCC(C)COC(C)CCO 34a_100011995851_100009893172 [0,2,0,0,0,0|2,0,0]=4 11781 B12R0.101 CCCCC(C)COC(C)CCO 7a_100011995851_100009893172 [0,2,0,0,0,0|2,0,0]=4 11782 B12R0.101 CCCCC(C)COC(C)COC 34a_100011995851_100000765312 [0,2,0,0,0,0|2,0,0]=4 11783 B12R0.101 CCCCC(C)COC(C)COC 7a_100011995851_100000765312 [0,2,0,0,0,0|2,0,0]=4 11784 B12R0.101 CCCCC(C)NCC(C)CCC 2230a_100000126638_100011216630 [0,2,0,0,0,0|2,0,0]=4 11785 B12R0.101 CCCCC(C)NCC(C)CCC 270004a_100000126638_100000243154 [0,2,0,0,0,0|2,0,0]=4 11786 B12R0.101 CCCCC(C)NCC(O)COC 2230a_100000756049_200011215066 [0,2,0,0,0,0|1,0,0]=3 11787 B12R0.101 CCCCC(C)NCC(O)COC 270004a_100000756049_100000210087 [0,2,0,0,0,0|1,0,0]=3 11788 B12R0.101 CCCCC(C)NCC(O)COC 34a_100000756049_200011215066 [0,2,0,0,0,0|1,0,0]=3 11789 B12R0.101 CCCCC(C)NC[C@@H](O)CC#N 2230a_100000126638_100000001066 [0,2,0,0,0,0|1,0,1]=4 11790 B12R0.101 CCCCC(C)OCC(C)CCC 34a_100000687866_100011216630 [0,2,0,0,0,0|2,0,0]=4 11791 B12R0.101 CCCCC(C)OCC(C)CCC 34a_100000688023_200011215066 [0,2,0,0,0,0|2,0,0]=4 11792 B12R0.101 CCCCC(C)OCC(C)CCC 7a_100000687866_100011216630 [0,2,0,0,0,0|2,0,0]=4 11793 B12R0.101 CCCCC(C)OCC(C)CCC 7a_100000688023_200011215066 [0,2,0,0,0,0|2,0,0]=4 11794 B12R0.101 CCCCC(C)OCC(C)CCN 34a_106354213184_200011215066 [0,2,0,0,0,0|2,0,0]=4 11795 B12R0.101 CCCCC(C)OCC(N)COC 34a_100000724102_200011215066 [0,2,0,0,0,0|2,0,0]=4 11796 B12R0.101 CCCCC(C)OCC(O)COC 34a_100000687866_100011215053 [0,2,0,0,0,0|1,0,0]=3 11797 B12R0.101 CCCCC(C)OCC(O)COC 7a_100000687866_100011215053 [0,2,0,0,0,0|1,0,0]=3 11798 B12R0.101 CCCCC(C)OC[C@@H](N)CCC 34a_100000732646_200011215066 [0,2,0,0,0,0|2,0,0]=4 11799 B12R0.101 CCCCC(C)OC[C@@H](O)CC#N 7a_100000687866_100000001066 [0,2,0,0,0,0|1,0,1]=4 11800 B12R0.101 CCCCC(C)SCC(C)CCC 62a_100011216630_200011215066 [0,2,0,0,0,0|2,0,0]=4 11801 B12R0.101 CCCCC(C)SCC(C)CCC 62a_200011215066_100011216630 [0,2,0,0,0,0|2,0,0]=4 11802 B12R0.101 CCCCC(C)SCC(O)COC 62a_100011215053_200011215066 [0,2,0,0,0,0|1,0,0]=3 11803 B12R0.101 CCCCC(C)SCC(O)COC 62a_200011215066_100011215053 [0,2,0,0,0,0|1,0,0]=3 11804 B12R0.101 CCCCC(C)SC[C@@H](O)CC#N 62a_100000001066_200011215066 [0,2,0,0,0,0|1,0,1]=4 11805 B12R0.101 CCCCC(C)SC[C@@H](O)CC#N 62a_200011215066_100000001066 [0,2,0,0,0,0|1,0,1]=4 11806 B12R0.101 CCCC[C@H](N)COC(C)CCC 34a_100011934283_100000766640 [0,2,0,0,0,0|2,0,0]=4 11807 B12R0.101 CCCC[C@H](N)COC(C)CCO 34a_100011934283_100009893172 [0,2,0,0,0,0|2,0,0]=4 11808 B12R0.101 CCCC[C@H](N)COC(C)COC 34a_100011934283_100000765312 [0,2,0,0,0,0|2,0,0]=4 11809 B12R0.101 CCCNC(C)CCC(C)CCC 270004a_100020643023_200011216527 [0,2,0,0,0,0|2,0,0]=4 11810 B12R0.101 CCOCC(C)OCC(O)COC 34a_100000718985_100011215053 [0,2,0,0,0,0|2,0,0]=4 11811 B12R0.101 CCOCC(C)OCC(O)COC 7a_100000718985_100011215053 [0,2,0,0,0,0|2,0,0]=4 11812 B12R0.101 CCSCC(C)NCC(O)COC 270004a_100000756049_200011216171 [0,2,0,0,0,0|2,0,0]=4 11813 B12R0.101 COCC(O)CNC(C)CCSC 270004a_100000756049_100011217047 [0,2,0,0,0,0|2,0,0]=4 11814 B12R0.101 COCC(O)COC(C)CCCCl 34a_200000718107_100011215053 [0,2,0,0,0,0|2,0,0]=4 11815 B12R0.101 COCC(O)COC(C)CCCCl 7a_200000718107_100011215053 [0,2,0,0,0,0|2,0,0]=4 11816 B12R0.101 COCCC(C)NCC(O)COC 270004a_100000756049_100000742357 [0,2,0,0,0,0|2,0,0]=4 11817 B12R0.114 CCCCCCC(=O)C(C)CCC 1458a_100000210906_100000210757 [0,2,0,0,0,0|1,0,1]=4 11818 B12R0.114 CCCCCCC(=O)C(C)CCC 1458a_100102632555_100000766640 [0,2,0,0,0,0|1,0,1]=4 11819 B12R0.114 CCCCCCC(=O)C(C)CCO 1458a_100102632555_100009893172 [0,2,0,0,0,0|1,0,1]=4 11820 B12R0.114 CCCCCCC(=O)C(C)COC 1458a_100000751857_100000210757 [0,2,0,0,0,0|1,0,1]=4 11821 B12R0.114 CCCCCCC(=O)C(C)COC 1458a_100102632555_100000765312 [0,2,0,0,0,0|1,0,1]=4 11822 B12R0.114 CCCCCCC(=O)C(C)CSC 1458a_100000753918_100000210757 [0,2,0,0,0,0|1,0,1]=4 11823 B12R0.114 CCCCCCC(=O)C(C)OCC 1458a_100000739345_100000210757 [0,2,0,0,0,0|1,0,1]=4 11824 B12R0.114 CCCCCCC(=O)C(C)SCC 1458a_100000230601_100000210757 [0,2,0,0,0,0|1,0,1]=4 11825 B12R0.114 CCCCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210757 [0,2,0,0,0,0|0,0,1]=3 11826 B12R0.114 CCCCCCC(C)C(=O)CCC 1458a_100000211992_100011215978 [0,2,0,0,0,0|0,0,2]=4 11827 B12R0.114 CCCCCCC(C)C(=O)CCO 1458a_100011216618_100011215978 [0,2,0,0,0,0|0,0,2]=4 11828 B12R0.114 CCCCCCC(C)C(=O)COC 1458a_100000210968_100011215978 [0,2,0,0,0,0|0,0,2]=4 11829 B12R0.114 CCCCCCC(C)C(=O)CSC 1458a_100000184570_100011215978 [0,2,0,0,0,0|0,0,2]=4 11830 B12R0.114 CCCCCCC(C)N(C)CCC 2230a_100000747261_100011215978 [0,2,0,0,0,0|2,0,0]=4 11831 B12R0.114 CCCCCCC(C)N(C)CCC 269982a_100000747261_100011215978 [0,2,0,0,0,0|2,0,0]=4 11832 B12R0.114 CCCCCCC(C)N(C)CCC 270004a_100000747261_100000210826 [0,2,0,0,0,0|2,0,0]=4 11833 B12R0.114 CCCCCCC(C)N(C)CCO 2230a_100000210263_100011215978 [0,2,0,0,0,0|2,0,0]=4 11834 B12R0.114 CCCCCCC(C)N(C)CCO 269982a_100000210263_100011215978 [0,2,0,0,0,0|2,0,0]=4 11835 B12R0.114 CCCCCCC(C)N(C)CCO 270004a_100000210263_100000210826 [0,2,0,0,0,0|2,0,0]=4 11836 B12R0.114 CCCCCCC(O)C(=O)CCC 1458a_100011215828_100000210303 [0,2,0,0,0,0|0,0,2]=4 11837 B12R0.114 CCCCCCC(O)C(=O)CCF 1458a_100011215828_100011217306 [0,2,0,0,0,0|0,0,2]=4 11838 B12R0.114 CCCCCCC(O)C(=O)CCO 1458a_100011215828_100000211926 [0,2,0,0,0,0|0,0,2]=4 11839 B12R0.114 CCCCCCC(O)C(=O)NCC 240690a_100015525214_100011215828 [0,2,0,0,0,0|0,0,2]=4 11840 B12R0.114 CCCCCCN(C)C(C)CCC 2230a_106256046315_100000766640 [0,2,0,0,0,0|2,0,0]=4 11841 B12R0.114 CCCCCCN(C)C(C)CCC 269982a_106256046315_100000766640 [0,2,0,0,0,0|2,0,0]=4 11842 B12R0.114 CCCCCCN(C)C(C)CCC 270004a_106256046315_100000211909 [0,2,0,0,0,0|2,0,0]=4 11843 B12R0.114 CCCCCCN(C)C(C)CCO 2230a_100000731037_100000210314 [0,2,0,0,0,0|2,0,0]=4 11844 B12R0.114 CCCCCCN(C)C(C)CCO 2230a_106256046315_100009893172 [0,2,0,0,0,0|2,0,0]=4 11845 B12R0.114 CCCCCCN(C)C(C)CCO 269982a_100000731037_100000210757 [0,2,0,0,0,0|2,0,0]=4 11846 B12R0.114 CCCCCCN(C)C(C)CCO 269982a_106256046315_100009893172 [0,2,0,0,0,0|2,0,0]=4 11847 B12R0.114 CCCCCCN(C)C(C)COC 2230a_106256046315_100000765312 [0,2,0,0,0,0|2,0,0]=4 11848 B12R0.114 CCCCCCN(C)C(C)COC 269982a_106256046315_100000765312 [0,2,0,0,0,0|2,0,0]=4 11849 B12R0.114 CCCCCCN(C)C(C)COC 270004a_106256046315_100000749346 [0,2,0,0,0,0|2,0,0]=4 11850 B12R0.114 CCCCCCN(C)C(C)CSC 270004a_106256046315_100011216314 [0,2,0,0,0,0|2,0,0]=4 11851 B12R0.114 CCCCCNC(=O)[C@@H](O)CCC 240690a_100000209983_100009822183 [0,2,0,0,0,0|1,0,1]=4 11852 B12R0.114 CCCCCNC(C)C(C)CCC 270004a_100000209983_100011216282 [0,2,0,0,0,0|2,0,0]=4 11853 B12R0.114 CCCCCOC(C)C(C)CCC 34a_100000708338_100000718602 [0,2,0,0,0,0|2,0,0]=4 11854 B12R0.114 CCCCCOC(C)C(C)CCC 7a_100000708338_100000210326 [0,2,0,0,0,0|2,0,0]=4 11855 B12R0.114 CCCCOCC(=O)[C@@H](O)CCC 1458a_100009822183_100011995733 [0,2,0,0,0,0|1,0,1]=4 11856 B12R0.114 CCCOCCC(=O)[C@@H](O)CCC 1458a_100009822183_100011215938 [0,2,0,0,0,0|1,0,1]=4 11857 B12R0.114 CCC[C@H](O)C(=O)CCCCCF 1458a_100009822183_100000729378 [0,2,0,0,0,0|1,0,1]=4 11858 B12R0.114 CCC[C@H](O)C(=O)CCCCCO 1458a_100009822183_100000746330 [0,2,0,0,0,0|1,0,1]=4 11859 B12R0.114 CCC[C@H](O)C(=O)CCCCOC 1458a_100009822183_100000755781 [0,2,0,0,0,0|1,0,1]=4 11860 B12R0.114 CCC[C@H](O)C(=O)CCCOCC 1458a_100009822183_100012232248 [0,2,0,0,0,0|1,0,1]=4 11861 B12R0.121 C#CC(CCC)OCCCCCC 34a_200011217317_100000210314 [0,2,0,0,0,0|2,0,0]=4 11862 B12R0.121 C#CC(CCC)OCCCCCC 7a_200011217317_100000210314 [0,2,0,0,0,0|2,0,0]=4 11863 B12R0.121 C#CCC(CC)OCCCCCC 34a_200011217983_100000210314 [0,2,0,0,0,0|2,0,0]=4 11864 B12R0.121 C#CCC(CC)OCCCCCC 7a_200011217983_100000210314 [0,2,0,0,0,0|2,0,0]=4 11865 B12R0.121 C#CCN(CC)CCCCCCC 2230a_100000228213_100000038162 [0,2,0,0,0,0|2,0,0]=4 11866 B12R0.121 C#CCN(CC)CCCCCCC 2230a_100000744766_100000210681 [0,2,0,0,0,0|2,0,0]=4 11867 B12R0.121 C#CCN(CC)CCCCCCC 269982a_100000744766_100000210681 [0,2,0,0,0,0|2,0,0]=4 11868 B12R0.121 C=CC(CCC)OCCCCCC 34a_100011216692_100000210314 [0,2,0,0,0,0|2,0,0]=4 11869 B12R0.121 C=CC(CCC)OCCCCCC 7a_100011216692_100000210314 [0,2,0,0,0,0|2,0,0]=4 11870 B12R0.121 C=CC(CCCCCCC)OCC 34a_200011934235_100000210202 [0,2,0,0,0,0|1,0,0]=3 11871 B12R0.121 C=CC(CCCCCCC)OCC 7a_200011934235_100000210202 [0,2,0,0,0,0|1,0,0]=3 11872 B12R0.121 C=CC(CCCCCCC)OCF 34a_200011934235_100015361967 [0,2,0,0,0,0|0,0,2]=4 11873 B12R0.121 C=CC(CCCCCCC)OCF 7a_200011934235_100015361967 [0,2,0,0,0,0|0,0,2]=4 11874 B12R0.121 C=CCN(CC)CCCCCCC 2230a_100000228213_100000210623 [0,2,0,0,0,0|2,0,0]=4 11875 B12R0.121 C=CCN(CC)CCCCCCC 269982a_100000228213_100000210623 [0,2,0,0,0,0|2,0,0]=4 11876 B12R0.121 C=CC[C@H](CO)NCCCCCC 2230a_100020615467_100000210314 [0,2,0,0,0,0|1,0,1]=4 11877 B12R0.121 CC#CC(CC)OCCCCCC 34a_200011219922_100000210314 [0,2,0,0,0,0|2,0,0]=4 11878 B12R0.121 CC#CC(CC)OCCCCCC 7a_200011219922_100000210314 [0,2,0,0,0,0|2,0,0]=4 11879 B12R0.121 CCC(COC)NCCCCCF 2230a_100000757820_100000729378 [0,2,0,0,0,0|2,0,0]=4 11880 B12R0.121 CCC(COC)NCCCCCO 2230a_100000757820_100000746330 [0,2,0,0,0,0|2,0,0]=4 11881 B12R0.121 CCC(COC)NCCCCCO 270004a_100000762737_100000757811 [0,2,0,0,0,0|2,0,0]=4 11882 B12R0.121 CCC(COC)NCCCCOC 2230a_100000757820_100000730899 [0,2,0,0,0,0|2,0,0]=4 11883 B12R0.121 CCC(COC)OCCCCCF 7a_200011214946_100000729378 [0,2,0,0,0,0|2,0,0]=4 11884 B12R0.121 CCC(COC)OCCCCCO 7a_200011214946_100000746330 [0,2,0,0,0,0|2,0,0]=4 11885 B12R0.121 CCC(COC)OCCCCOC 7a_200011214946_100000730899 [0,2,0,0,0,0|2,0,0]=4 11886 B12R0.121 CCCCCCCC(CC)NCC 270004a_100015525214_200011217162 [0,2,0,0,0,0|1,0,0]=3 11887 B12R0.121 CCCCCCCC(CC)OCC 34a_200011217053_100000210202 [0,2,0,0,0,0|0,0,0]=2 11888 B12R0.121 CCCCCCCC(CC)OCC 7a_200011217053_100000210202 [0,2,0,0,0,0|0,0,0]=2 11889 B12R0.121 CCCCCCCC(CC)OCF 34a_200011217053_100015361967 [0,2,0,0,0,0|0,0,0]=2 11890 B12R0.121 CCCCCCCC(CC)OCF 7a_200011217053_100015361967 [0,2,0,0,0,0|0,0,0]=2 11891 B12R0.121 CCCCCCCC(CCC)NC 270004a_106832991635_200011216337 [0,2,0,0,0,0|1,0,0]=3 11892 B12R0.121 CCCCCCCN(CC)CC#N 2230a_100000228213_100011215382 [0,2,0,0,0,0|2,0,0]=4 11893 B12R0.121 CCCCCCCN(CC)CC#N 269982a_100000228213_100011214920 [0,2,0,0,0,0|2,0,0]=4 11894 B12R0.121 CCCCCCCN(CC)CC=O 2230a_100000228213_200015260668 [0,2,0,0,0,0|1,0,1]=4 11895 B12R0.121 CCCCCCCN(CC)CC=O 269982a_100000228213_200015260668 [0,2,0,0,0,0|1,0,1]=4 11896 B12R0.121 CCCCCCCN(CC)CCC 2230a_100000226822_100000210681 [0,2,0,0,0,0|2,0,0]=4 11897 B12R0.121 CCCCCCCN(CC)CCC 2230a_100000228213_100000210303 [0,2,0,0,0,0|2,0,0]=4 11898 B12R0.121 CCCCCCCN(CC)CCC 269982a_100000226822_100000210681 [0,2,0,0,0,0|2,0,0]=4 11899 B12R0.121 CCCCCCCN(CC)CCC 269982a_100000228213_100000210303 [0,2,0,0,0,0|2,0,0]=4 11900 B12R0.121 CCCCCCCN(CC)CCF 2230a_100000228213_100011217306 [0,2,0,0,0,0|2,0,0]=4 11901 B12R0.121 CCCCCCCN(CC)CCF 269982a_100000228213_100011217306 [0,2,0,0,0,0|2,0,0]=4 11902 B12R0.121 CCCCCCCN(CC)CCO 2230a_100000210973_100000210681 [0,2,0,0,0,0|1,0,0]=3 11903 B12R0.121 CCCCCCCN(CC)CCO 2230a_100000228213_100000211926 [0,2,0,0,0,0|1,0,0]=3 11904 B12R0.121 CCCCCCCN(CC)CCO 269982a_100000210973_100000210681 [0,2,0,0,0,0|1,0,0]=3 11905 B12R0.121 CCCCCCCN(CC)CCO 269982a_100000228213_100000211926 [0,2,0,0,0,0|1,0,0]=3 11906 B12R0.121 CCCCCCCN(CC)COC 2230a_100000228213_100000766300 [0,2,0,0,0,0|1,0,0]=3 11907 B12R0.121 CCCCCCCN(CC)COC 269982a_100000228213_100000766300 [0,2,0,0,0,0|1,0,0]=3 11908 B12R0.121 CCCCCCCN(CC)CSC 2230a_100000228213_100011218213 [0,2,0,0,0,0|1,1,0]=4 11909 B12R0.121 CCCCCCCN(CC)CSC 269982a_100000228213_100011218213 [0,2,0,0,0,0|1,1,0]=4 11910 B12R0.121 CCCCCCNC(CC)CCC 2230a_100000747048_100000210314 [0,2,0,0,0,0|2,0,0]=4 11911 B12R0.121 CCCCCCNC(CC)CCC 270004a_100000210581_100000687865 [0,2,0,0,0,0|2,0,0]=4 11912 B12R0.121 CCCCCCNC(CC)COC 2230a_100000757820_100000210314 [0,2,0,0,0,0|1,0,0]=3 11913 B12R0.121 CCCCCCNC(CC)COC 270004a_100000210581_100000757811 [0,2,0,0,0,0|1,0,0]=3 11914 B12R0.121 CCCCCCNC(CO)COC 2230a_100000724102_100000210314 [0,2,0,0,0,0|1,0,0]=3 11915 B12R0.121 CCCCCCNC(CO)COC 34a_100000724102_100000210314 [0,2,0,0,0,0|1,0,0]=3 11916 B12R0.121 CCCCCCN[C@H](CC)CC#N 2230a_200009818565_100000210314 [0,2,0,0,0,0|2,0,0]=4 11917 B12R0.121 CCCCCCN[C@H](CO)CCC 2230a_100000732646_100000210314 [0,2,0,0,0,0|1,0,0]=3 11918 B12R0.121 CCCCCCN[C@H](CO)CCC 34a_100000732646_100000210314 [0,2,0,0,0,0|1,0,0]=3 11919 B12R0.121 CCCCCCOC(C#N)CCC 34a_100000686963_100000210314 [0,2,0,0,0,0|2,0,0]=4 11920 B12R0.121 CCCCCCOC(C#N)CCC 7a_100000686963_100000210314 [0,2,0,0,0,0|2,0,0]=4 11921 B12R0.121 CCCCCCOC(CC)CCC 34a_100000687864_100000210314 [0,2,0,0,0,0|2,0,0]=4 11922 B12R0.121 CCCCCCOC(CC)CCC 7a_100000210259_100011219200 [0,2,0,0,0,0|2,0,0]=4 11923 B12R0.121 CCCCCCOC(CC)CCC 7a_100000687864_100000210314 [0,2,0,0,0,0|2,0,0]=4 11924 B12R0.121 CCCCCCOC(CC)COC 7a_200011214946_100000210314 [0,2,0,0,0,0|1,0,0]=3 11925 B12R0.121 CCCCCCOC(CCl)COC 34a_100011215053_100000210314 [0,2,0,0,0,0|2,0,0]=4 11926 B12R0.121 CCCCCCOC(CN)COC 34a_100000756049_100000210314 [0,2,0,0,0,0|2,0,0]=4 11927 B12R0.121 CCCCCCSC(CC)CCC 62a_100000210314_100011219200 [0,2,0,0,0,0|2,0,0]=4 11928 B12R0.121 CCCCCCSC(CC)CCC 62a_100011219200_100000210757 [0,2,0,0,0,0|2,0,0]=4 11929 B12R0.121 CCCCCNCC(CC)OCC 2230a_100015183923_100000210326 [0,2,0,0,0,0|1,0,0]=3 11930 B12R0.121 CCCCCNCC(CC)OCC 34a_100015183923_100000718602 [0,2,0,0,0,0|1,0,0]=3 11931 B12R0.121 CCCCOCCC(CCC)SC 34a_100000032865_100000210210 [0,2,0,0,0,0|1,1,0]=4 11932 B12R0.121 CCCCOCCC(CCC)SC 7a_100000032865_100000210211 [0,2,0,0,0,0|1,1,0]=4 11933 B12R0.121 CCCCOCCN(CC)CCO 2230a_100000210973_100000743108 [0,2,0,0,0,0|2,0,0]=4 11934 B12R0.121 CCCCOCCN(CC)CCO 269982a_100000210973_100000743108 [0,2,0,0,0,0|2,0,0]=4 11935 B12R0.121 CCCCOCNC(CC)COC 2230a_100000757820_100011995733 [0,2,0,0,0,0|2,0,0]=4 11936 B12R0.121 CCCCOCNC(CO)COC 2230a_100000724102_100011995733 [0,2,0,0,0,0|2,0,0]=4 11937 B12R0.121 CCCCOCNC(CO)COC 34a_100000724102_100011995733 [0,2,0,0,0,0|2,0,0]=4 11938 B12R0.121 CCCCOCN[C@H](CO)CCC 2230a_100000732646_100011995733 [0,2,0,0,0,0|2,0,0]=4 11939 B12R0.121 CCCCOCN[C@H](CO)CCC 34a_100000732646_100011995733 [0,2,0,0,0,0|2,0,0]=4 11940 B12R0.121 CCCOCCNC(CC)COC 2230a_100000757820_100011215938 [0,2,0,0,0,0|2,0,0]=4 11941 B12R0.121 CCCOCCNC(CC)COC 270004a_100161115042_100000757811 [0,2,0,0,0,0|2,0,0]=4 11942 B12R0.121 CCCOCCNC(CO)COC 2230a_100000724102_100011215938 [0,2,0,0,0,0|2,0,0]=4 11943 B12R0.121 CCCOCCNC(CO)COC 34a_100000724102_100011215938 [0,2,0,0,0,0|2,0,0]=4 11944 B12R0.121 CCCOCCN[C@H](CO)CCC 2230a_100000732646_100011215938 [0,2,0,0,0,0|2,0,0]=4 11945 B12R0.121 CCCOCCN[C@H](CO)CCC 34a_100000732646_100011215938 [0,2,0,0,0,0|2,0,0]=4 11946 B12R0.121 CCCOCCOC(CC)COC 7a_200011214946_100011215938 [0,2,0,0,0,0|2,0,0]=4 11947 B12R0.121 CCCSCCNC(CC)COC 270004a_100020603323_100000757811 [0,2,0,0,0,0|2,0,0]=4 11948 B12R0.121 CCC[C@@H](CO)NCCCCCF 2230a_100000732646_100000729378 [0,2,0,0,0,0|2,0,0]=4 11949 B12R0.121 CCC[C@@H](CO)NCCCCCF 34a_100000732646_100000729378 [0,2,0,0,0,0|2,0,0]=4 11950 B12R0.121 CCC[C@@H](CO)NCCCCCO 2230a_100000732646_100000746330 [0,2,0,0,0,0|2,0,0]=4 11951 B12R0.121 CCC[C@@H](CO)NCCCCCO 34a_100000732646_100000746330 [0,2,0,0,0,0|2,0,0]=4 11952 B12R0.121 CCC[C@@H](CO)NCCCCOC 2230a_100000732646_100000730899 [0,2,0,0,0,0|2,0,0]=4 11953 B12R0.121 CCC[C@@H](CO)NCCCCOC 34a_100000732646_100000755781 [0,2,0,0,0,0|2,0,0]=4 11954 B12R0.121 CCC[C@@H](CO)NCCCOCC 2230a_100000732646_100012232248 [0,2,0,0,0,0|2,0,0]=4 11955 B12R0.121 CCC[C@@H](CO)NCCCOCC 34a_100000732646_100012232248 [0,2,0,0,0,0|2,0,0]=4 11956 B12R0.121 CCN(CCO)CCCCCCF 2230a_100000210973_100015922095 [0,2,0,0,0,0|2,0,0]=4 11957 B12R0.121 CCN(CCO)CCCCCCF 269982a_100000210973_100015922095 [0,2,0,0,0,0|2,0,0]=4 11958 B12R0.121 CCN(CCO)CCCCCCO 2230a_100000210973_100000766143 [0,2,0,0,0,0|2,0,0]=4 11959 B12R0.121 CCN(CCO)CCCCCCO 269982a_100000210973_100000766143 [0,2,0,0,0,0|2,0,0]=4 11960 B12R0.121 CCOC(CC)CNCCCCF 2230a_100015183923_100000729493 [0,2,0,0,0,0|2,0,0]=4 11961 B12R0.121 CCOC(CC)CNCCCCF 34a_100015183923_100000729493 [0,2,0,0,0,0|2,0,0]=4 11962 B12R0.121 CCOC(CC)CNCCCCO 2230a_100015183923_100000210776 [0,2,0,0,0,0|2,0,0]=4 11963 B12R0.121 CCOC(CC)CNCCCCO 34a_100015183923_100011216708 [0,2,0,0,0,0|2,0,0]=4 11964 B12R0.121 CCOC(CC)CNCCCOC 2230a_100015183923_100000740836 [0,2,0,0,0,0|2,0,0]=4 11965 B12R0.121 CCOC(CC)CNCCCOC 34a_100015183923_100000740836 [0,2,0,0,0,0|2,0,0]=4 11966 B12R0.121 CCOC(CC)CNCCSCC 2230a_100015183923_100000757381 [0,2,0,0,0,0|2,0,0]=4 11967 B12R0.121 CCOC(CC)CNCCSCC 34a_100015183923_100000757381 [0,2,0,0,0,0|2,0,0]=4 11968 B12R0.121 CCOCCCNC(CC)COC 2230a_100000757820_100012232248 [0,2,0,0,0,0|2,0,0]=4 11969 B12R0.121 CCOCCCNC(CC)COC 270004a_100000210961_100000757811 [0,2,0,0,0,0|2,0,0]=4 11970 B12R0.121 CCOCCCNC(CO)COC 2230a_100000724102_100012232248 [0,2,0,0,0,0|2,0,0]=4 11971 B12R0.121 CCOCCCNC(CO)COC 34a_100000724102_100012232248 [0,2,0,0,0,0|2,0,0]=4 11972 B12R0.121 CCOCCCOC(CC)COC 7a_200011214946_100012232248 [0,2,0,0,0,0|2,0,0]=4 11973 B12R0.121 CCOCCNCC(CC)OCC 2230a_100015183923_100011215890 [0,2,0,0,0,0|2,0,0]=4 11974 B12R0.121 CCOCCNCC(CC)OCC 34a_100015183923_100000210147 [0,2,0,0,0,0|2,0,0]=4 11975 B12R0.121 COCC(CO)NCCCCCF 2230a_100000724102_100000729378 [0,2,0,0,0,0|2,0,0]=4 11976 B12R0.121 COCC(CO)NCCCCCF 34a_100000724102_100000729378 [0,2,0,0,0,0|2,0,0]=4 11977 B12R0.121 COCC(CO)NCCCCCO 2230a_100000724102_100000746330 [0,2,0,0,0,0|2,0,0]=4 11978 B12R0.121 COCC(CO)NCCCCCO 34a_100000724102_100000746330 [0,2,0,0,0,0|2,0,0]=4 11979 B12R0.121 COCCCCNC(CO)COC 2230a_100000724102_100000730899 [0,2,0,0,0,0|2,0,0]=4 11980 B12R0.121 COCCCCNC(CO)COC 34a_100000724102_100000755781 [0,2,0,0,0,0|2,0,0]=4 11981 B12R0.206 C#CCCC(=O)CCCCCCC 1458a_100000211969_100000753159 [0,2,0,0,0,0|0,0,2]=4 11982 B12R0.206 C#CCCC(=O)CCCCCCC 1458a_100000692101_100000210614 [0,2,0,0,0,0|0,0,2]=4 11983 B12R0.206 C#CCCN(C)CCCCCCC 2230a_100000228206_100000688953 [0,2,0,0,0,0|2,0,0]=4 11984 B12R0.206 C#CCCN(C)CCCCCCC 269982a_100000228206_100000730999 [0,2,0,0,0,0|2,0,0]=4 11985 B12R0.206 C#CCNC(C)CCCCCCC 34a_100000212058_200011218727 [0,2,0,0,0,0|1,0,1]=4 11986 B12R0.206 C#CCOC(C)CCCCCCC 34a_100000210247_200011218727 [0,2,0,0,0,0|1,0,1]=4 11987 B12R0.206 C#CCOC(C)CCCCCCC 34a_200011215852_100000184674 [0,2,0,0,0,0|1,0,1]=4 11988 B12R0.206 C#CCOC(C)CCCCCCC 7a_200011215852_100000038162 [0,2,0,0,0,0|1,0,1]=4 11989 B12R0.206 C#CCSC(C)CCCCCCC 62a_100000038162_200011218727 [0,2,0,0,0,0|1,0,1]=4 11990 B12R0.206 C/C=C/CC(=O)CCCCCCC 1458a_100000211969_100102629194 [0,2,0,0,0,0|0,0,2]=4 11991 B12R0.206 C/C=C/CN(C)CCCCCCC 269982a_100000228206_100102629194 [0,2,0,0,0,0|2,0,0]=4 11992 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000211969_100000754431 [0,2,0,0,0,0|0,0,2]=4 11993 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000749702_100000210614 [0,2,0,0,0,0|0,0,2]=4 11994 B12R0.206 C=CCCC(C)NCCCCCC 270004a_100000210581_100000762624 [0,2,0,0,0,0|2,0,0]=4 11995 B12R0.206 C=CCCC(C)OCCCCCC 34a_100000765329_100000210314 [0,2,0,0,0,0|2,0,0]=4 11996 B12R0.206 C=CCCC(C)OCCCCCC 7a_100000765329_100000210314 [0,2,0,0,0,0|2,0,0]=4 11997 B12R0.206 C=CCCN(C)CCCCCCC 2230a_100000228206_100000754431 [0,2,0,0,0,0|2,0,0]=4 11998 B12R0.206 C=CCCN(C)CCCCCCC 2230a_100020639649_100000210681 [0,2,0,0,0,0|2,0,0]=4 11999 B12R0.206 C=CCCN(C)CCCCCCC 269982a_100000228206_100000754431 [0,2,0,0,0,0|2,0,0]=4 12000 B12R0.206 C=CCCN(C)CCCCCCC 269982a_100020639649_100000210681 [0,2,0,0,0,0|2,0,0]=4 12001 B12R0.206 C=CCNC(C)CCCCCCC 2230a_100020586998_200011218727 [0,2,0,0,0,0|1,0,1]=4 12002 B12R0.206 C=CCNC(C)CCCCCCC 270004a_100020586998_100000210596 [0,2,0,0,0,0|1,0,1]=4 12003 B12R0.206 C=CCOC(C)CCCCCCC 34a_200000210373_200011218727 [0,2,0,0,0,0|1,0,1]=4 12004 B12R0.206 C=CCOC(C)CCCCCCC 34a_200011215852_100015514636 [0,2,0,0,0,0|1,0,1]=4 12005 B12R0.206 C=CCOC(C)CCCCCCC 7a_200011215852_100015514636 [0,2,0,0,0,0|1,0,1]=4 12006 B12R0.206 C=CCSC(C)CCCCCCC 62a_100000210623_200011218727 [0,2,0,0,0,0|1,0,1]=4 12007 B12R0.206 C=CCSC(C)CCCCCCC 62a_200011218727_100000210623 [0,2,0,0,0,0|1,0,1]=4 12008 B12R0.206 CC#CCC(=O)CCCCCCC 1458a_100000211969_100000748600 [0,2,0,0,0,0|0,0,2]=4 12009 B12R0.206 CC#CCN(C)CCCCCCC 2230a_100000228206_100000748600 [0,2,0,0,0,0|2,0,0]=4 12010 B12R0.206 CC=CCC(=O)CCCCCCC 1458a_100000211969_100000070051 [0,2,0,0,0,0|0,0,2]=4 12011 B12R0.206 CC=CCC(=O)CCCCCCC 1458a_100121576822_100000210614 [0,2,0,0,0,0|0,0,2]=4 12012 B12R0.206 CC=CCN(C)CCCCCCC 2230a_100000228206_100000070051 [0,2,0,0,0,0|2,0,0]=4 12013 B12R0.206 CCC#CC(=O)CCCCCCC 1458a_100011827653_100000210614 [0,2,0,0,0,0|0,0,2]=4 12014 B12R0.206 CCC#CC(C)OCCCCCC 34a_100000033903_100000210314 [0,2,0,0,0,0|2,0,0]=4 12015 B12R0.206 CCC#CC(C)OCCCCCC 7a_100000033903_100000210314 [0,2,0,0,0,0|2,0,0]=4 12016 B12R0.206 CCC=CC(=O)CCCCCCC 1458a_100000212282_100000210614 [0,2,0,0,0,0|0,0,2]=4 12017 B12R0.206 CCCCC(C)CCCCOCC 34a_200011021034_100000210202 [0,2,0,0,0,0|2,0,0]=4 12018 B12R0.206 CCCCC(C)CCCCOCC 7a_200011021034_100000210202 [0,2,0,0,0,0|2,0,0]=4 12019 B12R0.206 CCCCCCCC(=NNCC)C 4a_100000756455_100000210596 [0,2,0,0,0,0|1,0,1]=4 12020 B12R0.206 CCCCCCCC(=O)CCC#N 1458a_100000211969_100011215226 [0,2,0,0,0,0|0,0,2]=4 12021 B12R0.206 CCCCCCCC(=O)CCC#N 1458a_100011934036_100000210614 [0,2,0,0,0,0|0,0,2]=4 12022 B12R0.206 CCCCCCCC(=O)CCCC 1458a_100000210183_100000210614 [0,2,0,0,0,0|0,0,2]=4 12023 B12R0.206 CCCCCCCC(=O)CCCC 1458a_100000211969_100000210211 [0,2,0,0,0,0|0,0,2]=4 12024 B12R0.206 CCCCCCCC(=O)CCCF 1458a_100000211969_100011934791 [0,2,0,0,0,0|0,0,2]=4 12025 B12R0.206 CCCCCCCC(=O)CCCO 1458a_100000211969_100011215043 [0,2,0,0,0,0|0,0,2]=4 12026 B12R0.206 CCCCCCCC(=O)CCOC 1458a_100000211969_100000233755 [0,2,0,0,0,0|0,0,2]=4 12027 B12R0.206 CCCCCCCC(=O)CCOC 1458a_100000749529_100000210614 [0,2,0,0,0,0|0,0,2]=4 12028 B12R0.206 CCCCCCCC(=O)CCSC 1458a_100000174002_100000210614 [0,2,0,0,0,0|0,0,2]=4 12029 B12R0.206 CCCCCCCC(=O)CCSC 1458a_100000211969_100000751147 [0,2,0,0,0,0|0,0,2]=4 12030 B12R0.206 CCCCCCCC(=O)COCC 1458a_100000211967_100000210614 [0,2,0,0,0,0|0,0,2]=4 12031 B12R0.206 CCCCCCCC(=O)CSCC 1458a_100000230394_100000210614 [0,2,0,0,0,0|0,0,2]=4 12032 B12R0.206 CCCCCCCC(=O)NCCC 11a_100020643023_100000211969 [0,2,0,0,0,0|0,0,2]=4 12033 B12R0.206 CCCCCCCC(=O)NCCC 1626a_100020643023_100000211969 [0,2,0,0,0,0|0,0,2]=4 12034 B12R0.206 CCCCCCCC(=O)NCCC 240690a_100020643023_100000211969 [0,2,0,0,0,0|0,0,2]=4 12035 B12R0.206 CCCCCCCC(=O)NCCC 527a_100020643023_100000211969 [0,2,0,0,0,0|0,0,2]=4 12036 B12R0.206 CCCCCCCC(=O)NCCF 11a_100000724931_100000211969 [0,2,0,0,0,0|0,0,2]=4 12037 B12R0.206 CCCCCCCC(=O)NCCF 1626a_100000724931_100000211969 [0,2,0,0,0,0|0,0,2]=4 12038 B12R0.206 CCCCCCCC(=O)NCCF 240690a_100000724931_100000211969 [0,2,0,0,0,0|0,0,2]=4 12039 B12R0.206 CCCCCCCC(=O)NCCF 527a_100000724931_100000211969 [0,2,0,0,0,0|0,0,2]=4 12040 B12R0.206 CCCCCCCC(=O)NCCO 240690a_100000210304_100000211969 [0,2,0,0,0,0|0,0,2]=4 12041 B12R0.206 CCCCCCCC(=O)NCCO 527a_100000210304_100000211969 [0,2,0,0,0,0|0,0,2]=4 12042 B12R0.206 CCCCCCCC(=O)NNCC 22a_100000756455_100000211969 [0,2,0,0,0,0|0,0,2]=4 12043 B12R0.206 CCCCCCCC(=O)OCNC 2230a_106832991635_100009852258 [0,2,0,0,0,0|0,0,2]=4 12044 B12R0.206 CCCCCCCC(=O)OCNC 34a_100102657272_100009852258 [0,2,0,0,0,0|0,0,2]=4 12045 B12R0.206 CCCCCCCC(=O)OCNC 7a_106832991635_100009852258 [0,2,0,0,0,0|0,0,2]=4 12046 B12R0.206 CCCCCCCC(=O)OCOC 34a_100138415774_100009852258 [0,2,0,0,0,0|0,0,2]=4 12047 B12R0.206 CCCCCCCC(=O)OCSC 62a_200000210301_100009852258 [0,2,0,0,0,0|0,0,2]=4 12048 B12R0.206 CCCCCCCC(=O)OCS[13CH3] 62a_200025704644_100009852258 [0,2,0,0,0,0|0,0,2]=4 12049 B12R0.206 CCCCCCCC(C)NCCC 270004a_100020643023_100000210596 [0,2,0,0,0,0|1,0,0]=3 12050 B12R0.206 CCCCCCCC(C)NCCF 34a_100000724931_200011218727 [0,2,0,0,0,0|1,0,0]=3 12051 B12R0.206 CCCCCCCC(C)NCCO 2230a_100016997473_200011218727 [0,2,0,0,0,0|1,0,0]=3 12052 B12R0.206 CCCCCCCC(C)NCCO 270004a_100000210304_100000210596 [0,2,0,0,0,0|1,0,0]=3 12053 B12R0.206 CCCCCCCC(C)NCCO 34a_100016990907_200011218727 [0,2,0,0,0,0|1,0,0]=3 12054 B12R0.206 CCCCCCCC(C)OCC#N 7a_200011215852_100011215382 [0,2,0,0,0,0|1,0,1]=4 12055 B12R0.206 CCCCCCCC(C)OCC=O 34a_200011215852_200009817547 [0,2,0,0,0,0|1,0,1]=4 12056 B12R0.206 CCCCCCCC(C)OCC=O 7a_200011215852_200015260668 [0,2,0,0,0,0|1,0,1]=4 12057 B12R0.206 CCCCCCCC(C)OCCBr 34a_100000211926_200011218727 [0,2,0,0,0,0|1,0,0]=3 12058 B12R0.206 CCCCCCCC(C)OCCC 34a_100000210258_200011218727 [0,2,0,0,0,0|1,0,0]=3 12059 B12R0.206 CCCCCCCC(C)OCCC 34a_200011215852_100000210303 [0,2,0,0,0,0|1,0,0]=3 12060 B12R0.206 CCCCCCCC(C)OCCC 7a_200011215852_100000210303 [0,2,0,0,0,0|1,0,0]=3 12061 B12R0.206 CCCCCCCC(C)OCCF 34a_200011215852_100011217306 [0,2,0,0,0,0|1,0,0]=3 12062 B12R0.206 CCCCCCCC(C)OCCF 7a_200011215852_100011217306 [0,2,0,0,0,0|1,0,0]=3 12063 B12R0.206 CCCCCCCC(C)OCCN 34a_100000210304_200011218727 [0,2,0,0,0,0|1,0,0]=3 12064 B12R0.206 CCCCCCCC(C)OCCO 34a_200011215852_100000211926 [0,2,0,0,0,0|1,0,0]=3 12065 B12R0.206 CCCCCCCC(C)OCCO 7a_200011215852_100000211926 [0,2,0,0,0,0|1,0,0]=3 12066 B12R0.206 CCCCCCCC(C)OCSC 34a_200011215852_100011218213 [0,2,0,0,0,0|1,0,0]=3 12067 B12R0.206 CCCCCCCC(C)SCC#N 62a_100011215382_200011218727 [0,2,0,0,0,0|1,0,1]=4 12068 B12R0.206 CCCCCCCC(C)SCC#N 62a_200011218727_100011215382 [0,2,0,0,0,0|1,0,1]=4 12069 B12R0.206 CCCCCCCC(C)SCC=O 62a_200011218727_200015260668 [0,2,0,0,0,0|1,0,1]=4 12070 B12R0.206 CCCCCCCC(C)SCC=O 62a_200015260668_200011218727 [0,2,0,0,0,0|1,0,1]=4 12071 B12R0.206 CCCCCCCC(C)SCCC 62a_100000210303_200011218727 [0,2,0,0,0,0|1,0,0]=3 12072 B12R0.206 CCCCCCCC(C)SCCC 62a_200011218727_100000210303 [0,2,0,0,0,0|1,0,0]=3 12073 B12R0.206 CCCCCCCC(C)SCCF 62a_100011217306_200011218727 [0,2,0,0,0,0|1,0,0]=3 12074 B12R0.206 CCCCCCCC(C)SCCF 62a_200011218727_100011217306 [0,2,0,0,0,0|1,0,0]=3 12075 B12R0.206 CCCCCCCC(C)SCCO 62a_100000211926_200011218727 [0,2,0,0,0,0|1,0,0]=3 12076 B12R0.206 CCCCCCCC(C)SCCO 62a_200011218727_100000211926 [0,2,0,0,0,0|1,0,0]=3 12077 B12R0.206 CCCCCCCC(C)SCOC 62a_100000766300_200011218727 [0,2,0,0,0,0|1,0,0]=3 12078 B12R0.206 CCCCCCCC(C)SCOC 62a_200011218727_100000766300 [0,2,0,0,0,0|1,0,0]=3 12079 B12R0.206 CCCCCCCC(C)SCSC 62a_100011218213_200011218727 [0,2,0,0,0,0|1,0,0]=3 12080 B12R0.206 CCCCCCCC(C)SCSC 62a_200011218727_100011218213 [0,2,0,0,0,0|1,0,0]=3 12081 B12R0.206 CCCCCCCN(C)CCC#N 2230a_100000184479_100000210681 [0,2,0,0,0,0|2,0,0]=4 12082 B12R0.206 CCCCCCCN(C)CCC#N 2230a_100000228206_100011215226 [0,2,0,0,0,0|2,0,0]=4 12083 B12R0.206 CCCCCCCN(C)CCC#N 269982a_100000228206_100011215226 [0,2,0,0,0,0|2,0,0]=4 12084 B12R0.206 CCCCCCCN(C)CCCC 2230a_100000207549_100000210681 [0,2,0,0,0,0|2,0,0]=4 12085 B12R0.206 CCCCCCCN(C)CCCC 2230a_100000228206_100000210211 [0,2,0,0,0,0|2,0,0]=4 12086 B12R0.206 CCCCCCCN(C)CCCC 269982a_100000207549_100000210681 [0,2,0,0,0,0|2,0,0]=4 12087 B12R0.206 CCCCCCCN(C)CCCC 269982a_100000228206_100000210211 [0,2,0,0,0,0|2,0,0]=4 12088 B12R0.206 CCCCCCCN(C)CCCF 2230a_100000228206_100011934791 [0,2,0,0,0,0|2,0,0]=4 12089 B12R0.206 CCCCCCCN(C)CCCF 269982a_100000228206_100011934791 [0,2,0,0,0,0|2,0,0]=4 12090 B12R0.206 CCCCCCCN(C)CCCO 2230a_100000213112_100000210681 [0,2,0,0,0,0|2,0,0]=4 12091 B12R0.206 CCCCCCCN(C)CCCO 2230a_100000228206_100000230001 [0,2,0,0,0,0|2,0,0]=4 12092 B12R0.206 CCCCCCCN(C)CCCO 269982a_100000213112_100000210681 [0,2,0,0,0,0|2,0,0]=4 12093 B12R0.206 CCCCCCCN(C)CCCO 269982a_100000228206_100011215043 [0,2,0,0,0,0|2,0,0]=4 12094 B12R0.206 CCCCCCCN(C)CCOC 2230a_100000228206_100011201679 [0,2,0,0,0,0|2,0,0]=4 12095 B12R0.206 CCCCCCCN(C)CCOC 2230a_100000743101_100000210681 [0,2,0,0,0,0|2,0,0]=4 12096 B12R0.206 CCCCCCCN(C)CCOC 269982a_100000228206_100000233755 [0,2,0,0,0,0|2,0,0]=4 12097 B12R0.206 CCCCCCCN(C)CCOC 269982a_100000743101_100000210681 [0,2,0,0,0,0|2,0,0]=4 12098 B12R0.206 CCCCCCCN(C)CCSC 2230a_100000228206_100000751147 [0,2,0,0,0,0|2,0,0]=4 12099 B12R0.206 CCCCCCCN(C)CCSC 2230a_100000686725_100000210681 [0,2,0,0,0,0|2,0,0]=4 12100 B12R0.206 CCCCCCCN(C)CCSC 269982a_100000228206_100000212216 [0,2,0,0,0,0|2,0,0]=4 12101 B12R0.206 CCCCCCCN(C)CCSC 269982a_100000686725_100000210681 [0,2,0,0,0,0|2,0,0]=4 12102 B12R0.206 CCCCCCCN(C)COCC 269982a_100000228206_100000739092 [0,2,0,0,0,0|2,0,0]=4 12103 B12R0.206 CCCCCCNC(C)CCCC 2230a_100000126638_100000210314 [0,2,0,0,0,0|2,0,0]=4 12104 B12R0.206 CCCCCCNC(C)CCCC 2230a_100000210581_200011215066 [0,2,0,0,0,0|2,0,0]=4 12105 B12R0.206 CCCCCCNC(C)CCCC 270004a_100000210581_100000210087 [0,2,0,0,0,0|2,0,0]=4 12106 B12R0.206 CCCCCCNC(C)CCOC 270004a_100000210581_100000742357 [0,2,0,0,0,0|2,0,0]=4 12107 B12R0.206 CCCCCCNC(C)CCSC 270004a_100000210581_100011217047 [0,2,0,0,0,0|2,0,0]=4 12108 B12R0.206 CCCCCCNC(C)CSCC 270004a_100000210581_200011216171 [0,2,0,0,0,0|2,0,0]=4 12109 B12R0.206 CCCCCCOC(C)CCCC 34a_100000210259_200011215066 [0,2,0,0,0,0|2,0,0]=4 12110 B12R0.206 CCCCCCOC(C)CCCC 34a_100000687866_100000210314 [0,2,0,0,0,0|2,0,0]=4 12111 B12R0.206 CCCCCCOC(C)CCCC 7a_100000210259_200011215066 [0,2,0,0,0,0|2,0,0]=4 12112 B12R0.206 CCCCCCOC(C)CCCC 7a_100000687866_100000210314 [0,2,0,0,0,0|2,0,0]=4 12113 B12R0.206 CCCCCCOC(C)CCCCl 34a_200000718107_100000210314 [0,2,0,0,0,0|2,0,0]=4 12114 B12R0.206 CCCCCCOC(C)CCCCl 7a_200000718107_100000210314 [0,2,0,0,0,0|2,0,0]=4 12115 B12R0.206 CCCCCCOC(C)COCC 34a_100000718985_100000210314 [0,2,0,0,0,0|2,0,0]=4 12116 B12R0.206 CCCCCCOC(C)COCC 7a_100000718985_100000210314 [0,2,0,0,0,0|2,0,0]=4 12117 B12R0.206 CCCCCCSC(C)CCCC 62a_100000210314_200011215066 [0,2,0,0,0,0|2,0,0]=4 12118 B12R0.206 CCCCCCSC(C)CCCC 62a_200011215066_100000210757 [0,2,0,0,0,0|2,0,0]=4 12119 B12R0.206 CCCCCNCC(C)OCCC 2230a_100015185124_100000210326 [0,2,0,0,0,0|2,0,0]=4 12120 B12R0.206 CCCCCNCC(C)OCCC 34a_100015185124_100000718602 [0,2,0,0,0,0|2,0,0]=4 12121 B12R0.206 CCCCCNCC(O)COCC 2230a_102515437182_100000210326 [0,2,0,0,0,0|1,0,0]=3 12122 B12R0.206 CCCCCNCC(O)COCC 34a_102515437182_100000718602 [0,2,0,0,0,0|1,0,0]=3 12123 B12R0.206 CCCCCNC[C@H](C)CCCO 2230a_100160569302_100000210326 [0,2,0,0,0,0|2,0,0]=4 12124 B12R0.206 CCCCCNC[C@H](C)CCCO 34a_100160569302_100000718602 [0,2,0,0,0,0|2,0,0]=4 12125 B12R0.206 CCCCCOCC(C)CCCC 34a_100011995851_100000718602 [0,2,0,0,0,0|2,0,0]=4 12126 B12R0.206 CCCCCOCC(C)CCCC 7a_100011995851_100000210326 [0,2,0,0,0,0|2,0,0]=4 12127 B12R0.206 CCCCCOC[C@@H](C)OCOC 34a_100016172286_100000718602 [0,2,0,0,0,0|2,0,0]=4 12128 B12R0.206 CCCCCOC[C@@H](C)OCOC 7a_100016172286_100000210326 [0,2,0,0,0,0|2,0,0]=4 12129 B12R0.206 CCCCCOC[C@@H](N)CCCC 34a_100011934283_100000718602 [0,2,0,0,0,0|2,0,0]=4 12130 B12R0.206 CCCCCOC[C@@H](N)CCSC 34a_100011827619_100000718602 [0,2,0,0,0,0|2,0,0]=4 12131 B12R0.206 CCOCC(O)CNCCCCF 2230a_102515437182_100000729493 [0,2,0,0,0,0|2,0,0]=4 12132 B12R0.206 CCOCC(O)CNCCCCF 34a_102515437182_100000729493 [0,2,0,0,0,0|2,0,0]=4 12133 B12R0.206 CCOCC(O)CNCCCCO 2230a_102515437182_100000210776 [0,2,0,0,0,0|2,0,0]=4 12134 B12R0.206 CCOCC(O)CNCCCCO 34a_102515437182_100011216708 [0,2,0,0,0,0|2,0,0]=4 12135 B12R0.206 CCOCC(O)CNCCCOC 2230a_102515437182_100000740836 [0,2,0,0,0,0|2,0,0]=4 12136 B12R0.206 CCOCC(O)CNCCCOC 34a_102515437182_100000740836 [0,2,0,0,0,0|2,0,0]=4 12137 B12R0.206 CCOCC(O)CNCCSCC 2230a_102515437182_100000757381 [0,2,0,0,0,0|2,0,0]=4 12138 B12R0.206 CCOCC(O)CNCCSCC 34a_102515437182_100000757381 [0,2,0,0,0,0|2,0,0]=4 12139 B12R0.206 CCOCCNCC(O)COCC 2230a_102515437182_100011215890 [0,2,0,0,0,0|2,0,0]=4 12140 B12R0.206 CCOCCNCC(O)COCC 34a_102515437182_100000210147 [0,2,0,0,0,0|2,0,0]=4 12141 B12R0.239 CCCCCC(=O)CC(C)CCC 1458a_100000212188_100011216630 [0,2,0,0,0,0|1,0,1]=4 12142 B12R0.239 CCCCCC(=O)CC(C)CCC 1458a_100000748435_100000210326 [0,2,0,0,0,0|1,0,1]=4 12143 B12R0.239 CCCCCC(=O)CC(C)SCC 1458a_200011311441_100000210326 [0,2,0,0,0,0|1,0,1]=4 12144 B12R0.239 CCCCCC(C)NC(C)CCC 2230a_100000211957_100000766640 [0,2,0,0,0,0|2,0,0]=4 12145 B12R0.239 CCCCCC(C)NC(C)CCC 2230a_100000741246_200011218191 [0,2,0,0,0,0|2,0,0]=4 12146 B12R0.239 CCCCCC(C)NC(C)CCC 270004a_100000211957_100000211909 [0,2,0,0,0,0|2,0,0]=4 12147 B12R0.239 CCCCCC(C)NC(C)CCC 270004a_100000741246_100000211708 [0,2,0,0,0,0|2,0,0]=4 12148 B12R0.239 CCCCCC(C)NC(C)CCO 2230a_100000211957_100009893172 [0,2,0,0,0,0|2,0,0]=4 12149 B12R0.239 CCCCCC(C)NC(C)COC 2230a_100000211957_100000765312 [0,2,0,0,0,0|2,0,0]=4 12150 B12R0.239 CCCCCC(C)NC(C)COC 270004a_100000211957_100000749346 [0,2,0,0,0,0|2,0,0]=4 12151 B12R0.239 CCCCCC(C)NC(C)CSC 270004a_100000211957_100011216314 [0,2,0,0,0,0|2,0,0]=4 12152 B12R0.239 CCCCCC(C)N[C@H](C)CCO 2230a_100000706166_200011218191 [0,2,0,0,0,0|2,0,0]=4 12153 B12R0.239 CCCCCC(C)N[C@H](C)CCO 270004a_100000706166_100000211708 [0,2,0,0,0,0|2,0,0]=4 12154 B12R0.239 CCCCCC(C)N[C@H](C)CCO 34a_100000706166_200011218191 [0,2,0,0,0,0|2,0,0]=4 12155 B12R0.239 CCCCCC(C)N[C@H](C)COC 2230a_100000764878_200011218191 [0,2,0,0,0,0|2,0,0]=4 12156 B12R0.239 CCCCCC(C)N[C@H](C)COC 270004a_100000764878_100000211708 [0,2,0,0,0,0|2,0,0]=4 12157 B12R0.239 CCCCCC(C)OC(C)CCBr 34a_100012276601_200011218191 [0,2,0,0,0,0|2,0,0]=4 12158 B12R0.239 CCCCCC(C)OC(C)CCC 34a_100000764384_200011218191 [0,2,0,0,0,0|2,0,0]=4 12159 B12R0.239 CCCCCC(C)OC(C)CCC 34a_100011215632_100000766640 [0,2,0,0,0,0|2,0,0]=4 12160 B12R0.239 CCCCCC(C)OC(C)CCC 7a_100000764384_200011218191 [0,2,0,0,0,0|2,0,0]=4 12161 B12R0.239 CCCCCC(C)OC(C)CCC 7a_100011215632_100000766640 [0,2,0,0,0,0|2,0,0]=4 12162 B12R0.239 CCCCCC(C)OC(C)CCO 34a_100011215632_100009893172 [0,2,0,0,0,0|2,0,0]=4 12163 B12R0.239 CCCCCC(C)OC(C)CCO 7a_100011215632_100009893172 [0,2,0,0,0,0|2,0,0]=4 12164 B12R0.239 CCCCCC(C)OC(C)COC 34a_100011215632_100000765312 [0,2,0,0,0,0|2,0,0]=4 12165 B12R0.239 CCCCCC(C)OC(C)COC 7a_100011215632_100000765312 [0,2,0,0,0,0|2,0,0]=4 12166 B12R0.239 CCCCCC(C)O[C@H](C)COC 34a_100011934205_200011218191 [0,2,0,0,0,0|2,0,0]=4 12167 B12R0.239 CCCCCC(C)SC(C)CCC 62a_100000766640_200011218191 [0,2,0,0,0,0|2,0,0]=4 12168 B12R0.239 CCCCCC(C)SC(C)CCC 62a_200011218191_100000766640 [0,2,0,0,0,0|2,0,0]=4 12169 B12R0.239 CCCCCC(C)SC(C)CCO 62a_100009893172_200011218191 [0,2,0,0,0,0|2,0,0]=4 12170 B12R0.239 CCCCCC(C)SC(C)CCO 62a_200011218191_100009893172 [0,2,0,0,0,0|2,0,0]=4 12171 B12R0.239 CCCCCC(C)SC(C)COC 62a_100000765312_200011218191 [0,2,0,0,0,0|2,0,0]=4 12172 B12R0.239 CCCCCC(C)SC(C)COC 62a_200011218191_100000765312 [0,2,0,0,0,0|2,0,0]=4 12173 B12R0.239 CCCCCN(C)CC(C)CCC 2230a_100000223495_100011216630 [0,2,0,0,0,0|2,0,0]=4 12174 B12R0.239 CCCCCN(C)CC(C)CCC 269982a_100000223495_100011216630 [0,2,0,0,0,0|2,0,0]=4 12175 B12R0.239 CCCCCN(C)CC(C)CCC 270004a_100000223495_100000243154 [0,2,0,0,0,0|2,0,0]=4 12176 B12R0.239 CCCCCN(C)CC(O)COC 2230a_100000739405_100000210326 [0,2,0,0,0,0|1,0,0]=3 12177 B12R0.239 CCCCCN(C)CC(O)COC 269982a_100000739405_100000210215 [0,2,0,0,0,0|1,0,0]=3 12178 B12R0.239 CCCCCN(C)C[C@@H](O)CC#N 2230a_100000223495_100000001066 [0,2,0,0,0,0|1,0,1]=4 12179 B12R0.239 CCOCCN(C)CC(O)COC 2230a_100000739405_100011215890 [0,2,0,0,0,0|2,0,0]=4 12180 B12R0.239 CCOCCN(C)CC(O)COC 269982a_100000739405_100011215890 [0,2,0,0,0,0|2,0,0]=4 12181 B12R0.239 CCSCCN(C)CC(O)COC 2230a_100000739405_100000757381 [0,2,0,0,0,0|2,0,0]=4 12182 B12R0.239 CCSCCN(C)CC(O)COC 269982a_100000739405_100000757381 [0,2,0,0,0,0|2,0,0]=4 12183 B12R0.239 COCC(O)CN(C)CCCCF 2230a_100000739405_100000729493 [0,2,0,0,0,0|2,0,0]=4 12184 B12R0.239 COCC(O)CN(C)CCCCF 269982a_100000739405_100000729493 [0,2,0,0,0,0|2,0,0]=4 12185 B12R0.239 COCC(O)CN(C)CCCCO 2230a_100000739405_100000210776 [0,2,0,0,0,0|2,0,0]=4 12186 B12R0.239 COCC(O)CN(C)CCCCO 269982a_100000739405_100000210776 [0,2,0,0,0,0|2,0,0]=4 12187 B12R0.239 COCCCN(C)CC(O)COC 2230a_100000739405_100000740836 [0,2,0,0,0,0|2,0,0]=4 12188 B12R0.239 COCCCN(C)CC(O)COC 269982a_100000739405_100000740836 [0,2,0,0,0,0|2,0,0]=4 12189 B12R0.276 C=CC(O)COCCC(C)CCC 34a_100011217855_100000730141 [0,2,0,0,0,0|0,0,2]=4 12190 B12R0.276 C=CC(O)COCCC(C)CCC 7a_100011217855_100000730141 [0,2,0,0,0,0|0,0,2]=4 12191 B12R0.276 C=CC(O)COCC[C@@H](N)CCC 34a_100015193777_100000730141 [0,2,0,0,0,0|0,0,2]=4 12192 B12R0.276 CCC(C)CCCOC(C)CCO 7a_100011216074_100009893172 [0,2,0,0,0,0|2,0,0]=4 12193 B12R0.276 CCC(C)CCCOC(C)COC 7a_100011216074_100000765312 [0,2,0,0,0,0|2,0,0]=4 12194 B12R0.276 CCC(C)CCNC[C@@H](O)CC#N 2230a_100020591266_100000001066 [0,2,0,0,0,0|1,0,1]=4 12195 B12R0.276 CCC(C)CCOCC(O)COC 7a_100011215188_100011215053 [0,2,0,0,0,0|1,0,0]=3 12196 B12R0.276 CCC(C)CCOC[C@@H](O)CC#N 7a_100011215188_100000001066 [0,2,0,0,0,0|1,0,1]=4 12197 B12R0.276 CCCC(=O)CNCCC(C)CC 2230a_100020591266_100000747444 [0,2,0,0,0,0|1,0,1]=4 12198 B12R0.276 CCCC(=O)COCCC(C)CC 7a_100011215188_100000747444 [0,2,0,0,0,0|1,0,1]=4 12199 B12R0.276 CCCC(=O)OCNCC(O)CC 2230a_100011218483_100000034017 [0,2,0,0,0,0|1,0,1]=4 12200 B12R0.276 CCCC(=O)OCSCC(O)CC 62a_100011218378_100000034017 [0,2,0,0,0,0|1,0,1]=4 12201 B12R0.276 CCCC(C)C=NNCC(O)CC 4a_100015206393_100000243154 [0,2,0,0,0,0|1,0,1]=4 12202 B12R0.276 CCCC(C)CCCOC(C)CC 34a_100011713154_100011215416 [0,2,0,0,0,0|1,0,0]=3 12203 B12R0.276 CCCC(C)CCCOC(C)CC 7a_100011713154_100000758301 [0,2,0,0,0,0|1,0,0]=3 12204 B12R0.276 CCCC(C)CCCOC(C)CO 34a_100011713154_100012180447 [0,2,0,0,0,0|2,0,0]=4 12205 B12R0.276 CCCC(C)CCCOC(C)CO 7a_100011713154_100012180447 [0,2,0,0,0,0|2,0,0]=4 12206 B12R0.276 CCCC(C)CCOCC(=O)CC 7a_100011217855_100000747405 [0,2,0,0,0,0|0,0,2]=4 12207 B12R0.276 CCCC(C)CCOCC(C)CC 34a_100011217855_100000748023 [0,2,0,0,0,0|1,0,0]=3 12208 B12R0.276 CCCC(C)CCOCC(C)CC 7a_100011217855_100000748023 [0,2,0,0,0,0|1,0,0]=3 12209 B12R0.276 CCCC(C)CCOCC(O)CC 34a_100011217855_100011218378 [0,2,0,0,0,0|0,0,0]=2 12210 B12R0.276 CCCC(C)CCOCC(O)CC 7a_100011217855_100011218378 [0,2,0,0,0,0|0,0,0]=2 12211 B12R0.276 CCCC(C)CCOCC(O)CO 34a_100011217855_100011219619 [0,2,0,0,0,0|1,0,0]=3 12212 B12R0.276 CCCC(C)CCOCC(O)CO 7a_100011217855_100011219619 [0,2,0,0,0,0|1,0,0]=3 12213 B12R0.276 CCCC(C)CCOC[C@@H](C)CC 34a_100011217855_100009816398 [0,2,0,0,0,0|1,0,0]=3 12214 B12R0.276 CCCC(C)CCOC[C@@H](C)CC 7a_100011217855_100009816398 [0,2,0,0,0,0|1,0,0]=3 12215 B12R0.276 CCCC(C)CCOC[C@@H](C)CO 34a_100011217855_100000059175 [0,2,0,0,0,0|2,0,0]=4 12216 B12R0.276 CCCC(C)CCOC[C@@H](C)CO 7a_100011217855_100000059175 [0,2,0,0,0,0|2,0,0]=4 12217 B12R0.276 CCCC(C)CCOC[C@@H](O)CF 34a_100011217855_100015614560 [0,2,0,0,0,0|1,0,0]=3 12218 B12R0.276 CCCC(C)CCOC[C@@H](O)CF 7a_100011217855_100015614560 [0,2,0,0,0,0|1,0,0]=3 12219 B12R0.276 CCCC(C)CCOC[C@@H](O)CO 34a_100011217855_100009815848 [0,2,0,0,0,0|1,0,0]=3 12220 B12R0.276 CCCC(C)CCOC[C@@H](O)CO 7a_100011217855_100009815848 [0,2,0,0,0,0|1,0,0]=3 12221 B12R0.276 CCCC(C)CNCCC(C)CC 2230a_100020591266_100011216630 [0,2,0,0,0,0|1,0,0]=3 12222 B12R0.276 CCCC(C)CNCCC(C)CC 270004a_100020591266_100000243154 [0,2,0,0,0,0|1,0,0]=3 12223 B12R0.276 CCCC(C)CNCCC(C)CO 2230a_106354213184_100011216630 [0,2,0,0,0,0|2,0,0]=4 12224 B12R0.276 CCCC(C)CNCCC(C)CO 270004a_106354213184_100000243154 [0,2,0,0,0,0|2,0,0]=4 12225 B12R0.276 CCCC(C)CNCCC(C)CO 34a_106354213184_100011216630 [0,2,0,0,0,0|2,0,0]=4 12226 B12R0.276 CCCC(C)COCCC(C)CC 7a_100011215188_100011216630 [0,2,0,0,0,0|1,0,0]=3 12227 B12R0.276 CCCC(C)COCCC(C)OC 7a_100000764861_100011216630 [0,2,0,0,0,0|2,0,0]=4 12228 B12R0.276 CCCC(C)NCCCN(C)CC 2230a_100000741246_100015186262 [0,2,0,0,0,0|2,0,0]=4 12229 B12R0.276 CCCC(C)OCCCC(C)CC 7a_100011216074_100000766640 [0,2,0,0,0,0|1,0,0]=3 12230 B12R0.276 CCCC(C)OCCCN(C)CC 7a_100000764384_100015186262 [0,2,0,0,0,0|2,0,0]=4 12231 B12R0.276 CCCC(C)OCCC[C@@H](C)CN 34a_100160569302_100000766640 [0,2,0,0,0,0|2,0,0]=4 12232 B12R0.276 CCCC(C)SCCCN(C)CC 62a_100000766640_100015186262 [0,2,0,0,0,0|2,0,0]=4 12233 B12R0.276 CCC[C@H](N)CCOCC(C)CC 34a_100015193777_100000748023 [0,2,0,0,0,0|1,0,0]=3 12234 B12R0.276 CCC[C@H](N)CCOCC(O)CC 34a_100015193777_100011218378 [0,2,0,0,0,0|0,0,0]=2 12235 B12R0.276 CCC[C@H](N)CCOCC(O)CO 34a_100015193777_100011219619 [0,2,0,0,0,0|1,0,0]=3 12236 B12R0.276 CCC[C@H](N)CCOC[C@@H](C)CC 34a_100015193777_100009816398 [0,2,0,0,0,0|1,0,0]=3 12237 B12R0.276 CCC[C@H](N)CCOC[C@@H](C)CO 34a_100015193777_100000059175 [0,2,0,0,0,0|2,0,0]=4 12238 B12R0.276 CCC[C@H](N)CCOC[C@@H](O)CF 34a_100015193777_100015614560 [0,2,0,0,0,0|1,0,0]=3 12239 B12R0.276 CCC[C@H](N)CCOC[C@@H](O)CO 34a_100015193777_100009815848 [0,2,0,0,0,0|1,0,0]=3 12240 B12R0.276 CCNC(=O)CCNCC(O)CC 2230a_100011218483_100000737597 [0,2,0,0,0,0|1,0,1]=4 12241 B12R0.276 CCNC(=O)CCNCC(O)CC 34a_100025743525_100011218378 [0,2,0,0,0,0|1,0,1]=4 12242 B12R0.276 CCNC(=O)CCSCC(O)CC 62a_100000737597_100011218378 [0,2,0,0,0,0|1,0,1]=4 12243 B12R0.276 CCNC(=O)CCSCC(O)CC 62a_100011218378_100000737597 [0,2,0,0,0,0|1,0,1]=4 12244 B12R0.276 CCOC(=O)CCNCC(O)CC 2230a_100011218483_100011206558 [0,2,0,0,0,0|1,0,1]=4 12245 B12R0.276 CCOC(=O)CCSCC(O)CC 62a_100000765890_100011218378 [0,2,0,0,0,0|1,0,1]=4 12246 B12R0.276 CCOC(=O)CCSCC(O)CC 62a_100011218378_100000765890 [0,2,0,0,0,0|1,0,1]=4 12247 B12R0.276 COCC(O)CNCCC(C)CO 34a_106354213184_100011215053 [0,2,0,0,0,0|2,0,0]=4 12248 B12R0.276 COCC(O)COCCC(C)OC 7a_100000764861_100011215053 [0,2,0,0,0,0|2,0,0]=4 12249 B12R0.277 CC(C)CCCCCC(=O)CCF 1458a_100000766313_100011217306 [0,2,0,0,0,0|0,0,2]=4 12250 B12R0.277 CC(C)CCCCCC(=O)CCO 1458a_100000766313_100000211926 [0,2,0,0,0,0|0,0,2]=4 12251 B12R0.277 CC(C)CCCCCC(=O)CCO 1458a_100011216618_100000210682 [0,2,0,0,0,0|0,0,2]=4 12252 B12R0.277 CC(C)CCCCCN(C)CCO 2230a_100000210263_100000210682 [0,2,0,0,0,0|2,0,0]=4 12253 B12R0.277 CC(C)CCCCCN(C)CCO 269982a_100000210263_100000210682 [0,2,0,0,0,0|2,0,0]=4 12254 B12R0.277 CC(C)CCCCN[C@H](C)CCO 2230a_100000706166_100011216152 [0,2,0,0,0,0|2,0,0]=4 12255 B12R0.277 CC(C)CCCCN[C@H](C)CCO 34a_100000706166_100011216152 [0,2,0,0,0,0|2,0,0]=4 12256 B12R0.277 CC(C)CCCCOC(C)CCBr 34a_100012276601_100011216152 [0,2,0,0,0,0|2,0,0]=4 12257 B12R0.277 CC(C)CCCCOC(C)CCO 34a_100011214890_100009893172 [0,2,0,0,0,0|2,0,0]=4 12258 B12R0.277 CC(C)CCCCOC(C)CCO 7a_100011214890_100009893172 [0,2,0,0,0,0|2,0,0]=4 12259 B12R0.277 CC(C)CCCCSC(C)CCO 62a_100009893172_100011216152 [0,2,0,0,0,0|2,0,0]=4 12260 B12R0.277 CC(C)CCCCSC(C)CCO 62a_100011216152_100009893172 [0,2,0,0,0,0|2,0,0]=4 12261 B12R0.277 CC(C)CCCNC[C@@H](O)CC#N 2230a_200000737386_100000001066 [0,2,0,0,0,0|1,0,1]=4 12262 B12R0.277 CC(C)CCCOCC(C)CCN 34a_106354213184_100011214892 [0,2,0,0,0,0|2,0,0]=4 12263 B12R0.277 CC(C)CCCOC[C@@H](O)CC#N 7a_100000210774_100000001066 [0,2,0,0,0,0|1,0,1]=4 12264 B12R0.277 CC(C)CCCSC[C@@H](O)CC#N 62a_100000001066_100011214892 [0,2,0,0,0,0|1,0,1]=4 12265 B12R0.277 CC(C)CCCSC[C@@H](O)CC#N 62a_100011214892_100000001066 [0,2,0,0,0,0|1,0,1]=4 12266 B12R0.277 CC(O)CCCOCC(C)CCN 34a_106354213184_200000718107 [0,2,0,0,0,0|2,0,0]=4 12267 B12R0.277 CC(O)CCCSC[C@@H](O)CC#N 62a_100000001066_200000718107 [0,2,0,0,0,0|1,0,1]=4 12268 B12R0.277 CC(O)CCCSC[C@@H](O)CC#N 62a_200000718107_100000001066 [0,2,0,0,0,0|1,0,1]=4 12269 B12R0.277 CCCC(=O)CCCCCC(C)C 1458a_100000211992_100000210682 [0,2,0,0,0,0|0,0,2]=4 12270 B12R0.277 CCCC(=O)CCCCCC(C)C 1458a_100000766313_100000210303 [0,2,0,0,0,0|0,0,2]=4 12271 B12R0.277 CCCC(C)CCCOCC(C)C 34a_100011713154_100000210624 [0,2,0,0,0,0|2,0,0]=4 12272 B12R0.277 CCCC(C)CCCOCC(C)C 7a_100011713154_100000210760 [0,2,0,0,0,0|2,0,0]=4 12273 B12R0.277 CCCC(C)CCCOCC(C)O 34a_100011713154_100011218427 [0,2,0,0,0,0|2,0,0]=4 12274 B12R0.277 CCCC(C)CCCOCC(C)O 7a_100011713154_100011218427 [0,2,0,0,0,0|2,0,0]=4 12275 B12R0.277 CCCC(C)CCCOC[C@@H](C)O 34a_100011713154_100009817552 [0,2,0,0,0,0|2,0,0]=4 12276 B12R0.277 CCCC(C)CCCOC[C@@H](C)O 7a_100011713154_100009817552 [0,2,0,0,0,0|2,0,0]=4 12277 B12R0.277 CCCC(C)CCOCCC(C)C 34a_100011217855_100000210312 [0,2,0,0,0,0|2,0,0]=4 12278 B12R0.277 CCCC(C)CCOCCC(C)C 7a_100011217855_100000210626 [0,2,0,0,0,0|2,0,0]=4 12279 B12R0.277 CCCC(C)CCOCCC(C)O 34a_100011217855_100012276601 [0,2,0,0,0,0|2,0,0]=4 12280 B12R0.277 CCCC(C)CCOCCC(C)O 7a_100011217855_100012276601 [0,2,0,0,0,0|2,0,0]=4 12281 B12R0.277 CCCC(C)CNCCCC(C)C 2230a_200000737386_100011216630 [0,2,0,0,0,0|2,0,0]=4 12282 B12R0.277 CCCC(C)CNCCCC(C)C 270004a_200000737386_100000243154 [0,2,0,0,0,0|2,0,0]=4 12283 B12R0.277 CCCC(C)CNCCCC(C)C 34a_200000737386_100011216630 [0,2,0,0,0,0|2,0,0]=4 12284 B12R0.277 CCCC(C)COCCCC(C)C 34a_100000210774_100011216630 [0,2,0,0,0,0|2,0,0]=4 12285 B12R0.277 CCCC(C)COCCCC(C)C 34a_100000688023_100011214892 [0,2,0,0,0,0|2,0,0]=4 12286 B12R0.277 CCCC(C)COCCCC(C)C 7a_100000210774_100011216630 [0,2,0,0,0,0|2,0,0]=4 12287 B12R0.277 CCCC(C)COCCCC(C)C 7a_100000688023_100011214892 [0,2,0,0,0,0|2,0,0]=4 12288 B12R0.277 CCCC(C)COCCCC(C)O 34a_100000688023_200000718107 [0,2,0,0,0,0|2,0,0]=4 12289 B12R0.277 CCCC(C)COCCCC(C)O 7a_100000688023_200000718107 [0,2,0,0,0,0|2,0,0]=4 12290 B12R0.277 CCCC(C)CSCCCC(C)C 62a_100011214892_100011216630 [0,2,0,0,0,0|2,0,0]=4 12291 B12R0.277 CCCC(C)CSCCCC(C)C 62a_100011216630_100011214892 [0,2,0,0,0,0|2,0,0]=4 12292 B12R0.277 CCCC(C)CSCCCC(C)O 62a_100011216630_200000718107 [0,2,0,0,0,0|2,0,0]=4 12293 B12R0.277 CCCC(C)CSCCCC(C)O 62a_200000718107_100011216630 [0,2,0,0,0,0|2,0,0]=4 12294 B12R0.277 CCCC(C)NCCCCC(C)C 2230a_100000741246_100011216152 [0,2,0,0,0,0|2,0,0]=4 12295 B12R0.277 CCCC(C)OCCCCC(C)C 34a_100000764384_100011216152 [0,2,0,0,0,0|2,0,0]=4 12296 B12R0.277 CCCC(C)OCCCCC(C)C 34a_100011214890_100000766640 [0,2,0,0,0,0|2,0,0]=4 12297 B12R0.277 CCCC(C)OCCCCC(C)C 7a_100000764384_100011216152 [0,2,0,0,0,0|2,0,0]=4 12298 B12R0.277 CCCC(C)OCCCCC(C)C 7a_100011214890_100000766640 [0,2,0,0,0,0|2,0,0]=4 12299 B12R0.277 CCCC(C)SCCCCC(C)C 62a_100000766640_100011216152 [0,2,0,0,0,0|2,0,0]=4 12300 B12R0.277 CCCC(C)SCCCCC(C)C 62a_100011216152_100000766640 [0,2,0,0,0,0|2,0,0]=4 12301 B12R0.277 CCCN(C)CCCCCC(C)C 2230a_100000747261_100000210682 [0,2,0,0,0,0|2,0,0]=4 12302 B12R0.277 CCCN(C)CCCCCC(C)C 269982a_100000747261_100000210682 [0,2,0,0,0,0|2,0,0]=4 12303 B12R0.277 CCC[C@H](N)CCOCCC(C)C 34a_100015193777_100000210312 [0,2,0,0,0,0|2,0,0]=4 12304 B12R0.277 CCC[C@H](N)CCOCCC(C)O 34a_100015193777_100012276601 [0,2,0,0,0,0|2,0,0]=4 12305 B12R0.277 CCC[C@H](N)COCCCC(C)C 34a_100000732646_100011214892 [0,2,0,0,0,0|2,0,0]=4 12306 B12R0.277 CCC[C@H](N)COCCCC(C)O 34a_100000732646_200000718107 [0,2,0,0,0,0|2,0,0]=4 12307 B12R0.277 CCNC(=O)CCCCCC(C)C 11a_100015525214_100000766313 [0,2,0,0,0,0|0,0,2]=4 12308 B12R0.277 CCNC(=O)CCCCCC(C)C 240690a_100015525214_100000766313 [0,2,0,0,0,0|0,0,2]=4 12309 B12R0.277 CCNC(=O)CCCCCC(C)C 527a_100015525214_100000766313 [0,2,0,0,0,0|0,0,2]=4 12310 B12R0.277 COCC(=O)CCCCCC(C)C 1458a_100000210968_100000210682 [0,2,0,0,0,0|0,0,2]=4 12311 B12R0.277 COCC(C)OCCCCC(C)C 34a_100011214890_100000765312 [0,2,0,0,0,0|2,0,0]=4 12312 B12R0.277 COCC(C)OCCCCC(C)C 7a_100011214890_100000765312 [0,2,0,0,0,0|2,0,0]=4 12313 B12R0.277 COCC(C)SCCCCC(C)C 62a_100000765312_100011216152 [0,2,0,0,0,0|2,0,0]=4 12314 B12R0.277 COCC(C)SCCCCC(C)C 62a_100011216152_100000765312 [0,2,0,0,0,0|2,0,0]=4 12315 B12R0.277 COCC(N)COCCCC(C)C 34a_100000724102_100011214892 [0,2,0,0,0,0|2,0,0]=4 12316 B12R0.277 COCC(N)COCCCC(C)O 34a_100000724102_200000718107 [0,2,0,0,0,0|2,0,0]=4 12317 B12R0.277 COCC(O)CNCCCC(=O)C 34a_100000756049_100000685027 [0,2,0,0,0,0|1,0,1]=4 12318 B12R0.277 COCC(O)CNCCCC(C)C 2230a_100000756049_100011214892 [0,2,0,0,0,0|1,0,0]=3 12319 B12R0.277 COCC(O)CNCCCC(C)C 34a_100000756049_100011214892 [0,2,0,0,0,0|1,0,0]=3 12320 B12R0.277 COCC(O)CNCCCC(C)C 34a_200000737386_100011215053 [0,2,0,0,0,0|1,0,0]=3 12321 B12R0.277 COCC(O)CNCCCC(C)O 2230a_100000756049_200000718107 [0,2,0,0,0,0|1,0,0]=3 12322 B12R0.277 COCC(O)CNCCCC(C)O 34a_100000756049_200000718107 [0,2,0,0,0,0|1,0,0]=3 12323 B12R0.277 COCC(O)CNCCOC(C)C 2230a_100000756049_100000211751 [0,2,0,0,0,0|2,0,0]=4 12324 B12R0.277 COCC(O)CNCCOC(C)C 34a_100000701111_100011215053 [0,2,0,0,0,0|2,0,0]=4 12325 B12R0.277 COCC(O)CNCCOC(C)C 34a_100000756049_100000211751 [0,2,0,0,0,0|2,0,0]=4 12326 B12R0.277 COCC(O)CNCCSC(C)C 2230a_100000756049_100000730970 [0,2,0,0,0,0|2,0,0]=4 12327 B12R0.277 COCC(O)CNCCSC(C)C 34a_100000731138_100011215053 [0,2,0,0,0,0|2,0,0]=4 12328 B12R0.277 COCC(O)CNCCSC(C)C 34a_100000756049_100000730970 [0,2,0,0,0,0|2,0,0]=4 12329 B12R0.277 COCC(O)COCCCC(=O)C 34a_100000759063_100011215053 [0,2,0,0,0,0|1,0,1]=4 12330 B12R0.277 COCC(O)COCCCC(=O)C 7a_100000759063_100011215053 [0,2,0,0,0,0|1,0,1]=4 12331 B12R0.277 COCC(O)COCCCC(C)C 34a_100000210774_100011215053 [0,2,0,0,0,0|1,0,0]=3 12332 B12R0.277 COCC(O)COCCCC(C)C 7a_100000210774_100011215053 [0,2,0,0,0,0|1,0,0]=3 12333 B12R0.277 COCC(O)COCCNC(C)C 34a_100000224655_100011215053 [0,2,0,0,0,0|2,0,0]=4 12334 B12R0.277 COCC(O)COCCOC(C)C 34a_100000211219_100011215053 [0,2,0,0,0,0|2,0,0]=4 12335 B12R0.277 COCC(O)COCCOC(C)C 7a_100000211219_100011215053 [0,2,0,0,0,0|2,0,0]=4 12336 B12R0.277 COCC(O)COCCSC(C)C 34a_200011212901_100011215053 [0,2,0,0,0,0|2,0,0]=4 12337 B12R0.277 COCC(O)COCCSC(C)C 7a_200011212901_100011215053 [0,2,0,0,0,0|2,0,0]=4 12338 B12R0.277 COCC(O)CSCCCC(=O)C 62a_100011215053_100011215641 [0,2,0,0,0,0|1,0,1]=4 12339 B12R0.277 COCC(O)CSCCCC(=O)C 62a_100011215641_100011215053 [0,2,0,0,0,0|1,0,1]=4 12340 B12R0.277 COCC(O)CSCCCC(C)C 62a_100011214892_100011215053 [0,2,0,0,0,0|1,0,0]=3 12341 B12R0.277 COCC(O)CSCCCC(C)C 62a_100011215053_100011214892 [0,2,0,0,0,0|1,0,0]=3 12342 B12R0.277 COCC(O)CSCCCC(C)O 62a_100011215053_200000718107 [0,2,0,0,0,0|1,0,0]=3 12343 B12R0.277 COCC(O)CSCCCC(C)O 62a_200000718107_100011215053 [0,2,0,0,0,0|1,0,0]=3 12344 B12R0.277 COCC(O)CSCCCN(C)C 62a_100011215053_100000757444 [0,2,0,0,0,0|2,0,0]=4 12345 B12R0.277 COCC(O)CSCCOC(C)C 62a_100000211751_100011215053 [0,2,0,0,0,0|2,0,0]=4 12346 B12R0.277 COCC(O)CSCCOC(C)C 62a_100011215053_100000211751 [0,2,0,0,0,0|2,0,0]=4 12347 B12R0.277 COCC(O)CSCCSC(C)C 62a_100000730970_100011215053 [0,2,0,0,0,0|2,0,0]=4 12348 B12R0.277 COCC(O)CSCCSC(C)C 62a_100011215053_100000730970 [0,2,0,0,0,0|2,0,0]=4 12349 B12R0.277 COC[C@@H](C)NCCCCC(C)C 2230a_100000764878_100011216152 [0,2,0,0,0,0|2,0,0]=4 12350 B12R0.277 COC[C@@H](C)OCCCCC(C)C 34a_100011934205_100011216152 [0,2,0,0,0,0|2,0,0]=4 12351 B12R0.277 CSCC(=O)CCCCCC(C)C 1458a_100000184570_100000210682 [0,2,0,0,0,0|0,0,2]=4 12352 B12R0.285 CCCC(=O)CNCC(O)COC 2230a_100000756049_100000747444 [0,2,0,0,0,0|1,0,1]=4 12353 B12R0.285 CCCC(=O)CSCC(O)COC 62a_100000747444_100011215053 [0,2,0,0,0,0|1,0,1]=4 12354 B12R0.285 CCCC(=O)CSCC(O)COC 62a_100011215053_100000747444 [0,2,0,0,0,0|1,0,1]=4 12355 B12R0.285 CCCC(C)CCOC(C)CCC 34a_100011217855_100000766640 [0,2,0,0,0,0|2,0,0]=4 12356 B12R0.285 CCCC(C)CCOC(C)CCC 7a_100011217855_100000766640 [0,2,0,0,0,0|2,0,0]=4 12357 B12R0.285 CCCC(C)CCOC(C)CCO 34a_100011217855_100009893172 [0,2,0,0,0,0|2,0,0]=4 12358 B12R0.285 CCCC(C)CCOC(C)CCO 7a_100011217855_100009893172 [0,2,0,0,0,0|2,0,0]=4 12359 B12R0.285 CCCC(C)CCOC(C)COC 34a_100011217855_100000765312 [0,2,0,0,0,0|2,0,0]=4 12360 B12R0.285 CCCC(C)CCOC(C)COC 7a_100011217855_100000765312 [0,2,0,0,0,0|2,0,0]=4 12361 B12R0.285 CCCC(C)CNCC(O)COC 2230a_100000756049_100011216630 [0,2,0,0,0,0|1,0,0]=3 12362 B12R0.285 CCCC(C)CNCC(O)COC 270004a_100000756049_100000243154 [0,2,0,0,0,0|1,0,0]=3 12363 B12R0.285 CCCC(C)CNCC(O)COC 34a_100000756049_100011216630 [0,2,0,0,0,0|1,0,0]=3 12364 B12R0.285 CCCC(C)COCC(C)CCC 34a_100000688023_100011216630 [0,2,0,0,0,0|2,0,0]=4 12365 B12R0.285 CCCC(C)COCC(C)CCC 7a_100000688023_100011216630 [0,2,0,0,0,0|2,0,0]=4 12366 B12R0.285 CCCC(C)COCC(C)CCN 34a_106354213184_100011216630 [0,2,0,0,0,0|2,0,0]=4 12367 B12R0.285 CCCC(C)COCC(N)COC 34a_100000724102_100011216630 [0,2,0,0,0,0|2,0,0]=4 12368 B12R0.285 CCCC(C)COCC(O)COC 34a_100000688023_100011215053 [0,2,0,0,0,0|1,0,0]=3 12369 B12R0.285 CCCC(C)COCC(O)COC 7a_100000688023_100011215053 [0,2,0,0,0,0|1,0,0]=3 12370 B12R0.285 CCCC(C)COC[C@@H](N)CCC 34a_100000732646_100011216630 [0,2,0,0,0,0|2,0,0]=4 12371 B12R0.285 CCCC(C)COC[C@@H](O)CC#N 7a_100000688023_100000001066 [0,2,0,0,0,0|1,0,1]=4 12372 B12R0.285 CCCC(C)CSCC(C)CCC 62a_100011216630_100011216630 [0,2,0,0,0,0|2,0,0]=4 12373 B12R0.285 CCCC(C)CSCC(O)COC 62a_100011215053_100011216630 [0,2,0,0,0,0|1,0,0]=3 12374 B12R0.285 CCCC(C)CSCC(O)COC 62a_100011216630_100011215053 [0,2,0,0,0,0|1,0,0]=3 12375 B12R0.285 CCCC(C)CSC[C@@H](O)CC#N 62a_100000001066_100011216630 [0,2,0,0,0,0|1,0,1]=4 12376 B12R0.285 CCCC(C)CSC[C@@H](O)CC#N 62a_100011216630_100000001066 [0,2,0,0,0,0|1,0,1]=4 12377 B12R0.285 CCCC(C)OCC[C@@H](N)CCC 34a_100015193777_100000766640 [0,2,0,0,0,0|2,0,0]=4 12378 B12R0.285 CCC[C@H](N)CCOC(C)CCO 34a_100015193777_100009893172 [0,2,0,0,0,0|2,0,0]=4 12379 B12R0.285 CCC[C@H](N)CCOC(C)COC 34a_100015193777_100000765312 [0,2,0,0,0,0|2,0,0]=4 12380 B12R0.285 CCC[C@H](N)COCC(O)COC 34a_100000732646_100011215053 [0,2,0,0,0,0|1,0,0]=3 12381 B12R0.285 COCC(N)COCC(O)COC 34a_100000724102_100011215053 [0,2,0,0,0,0|2,0,0]=4 12382 B12R0.285 COCC(O)CNCC(O)COC 34a_100000756049_100011215053 [0,2,0,0,0,0|2,0,0]=4 12383 B12R0.285 COCC(O)COCC(C)CCN 34a_106354213184_100011215053 [0,2,0,0,0,0|2,0,0]=4 12384 B12R0.285 COCC(O)CSCC(O)COC 62a_100011215053_100011215053 [0,2,0,0,0,0|2,0,0]=4 12385 B12R0.434 CCCCCCCC(C)(C)OCC 34a_100121572206_200000046972 [0,2,0,0,0,0|1,0,0]=3 12386 B12R0.434 CCCCCCCC(C)(C)SCC 62a_100000210202_200000046972 [0,2,0,0,0,0|1,0,0]=3 12387 B12R0.434 CCCCCCCC(C)(C)SCC 62a_200000046972_100000210202 [0,2,0,0,0,0|1,0,0]=3 12388 B12R0.434 CCCCCCCC(C)(C)SCF 62a_100015361967_200000046972 [0,2,0,0,0,0|2,0,0]=4 12389 B12R0.434 CCCCCCCC(C)(C)SCF 62a_200000046972_100015361967 [0,2,0,0,0,0|2,0,0]=4 12390 B12R0.434 CCCCCCNC(C)(C)COC 2230a_100000752728_100000210314 [0,2,0,0,0,0|2,0,0]=4 12391 B12R0.434 CCCCCCNC(C)(C)CSC 2230a_100000759623_100000210314 [0,2,0,0,0,0|2,0,0]=4 12392 B12R0.434 CCCCCCNC(C)(C)CSC 7a_100000759623_100000210314 [0,2,0,0,0,0|2,0,0]=4 12393 B12R0.434 CCCCCCOC(C)(C)CCBr 7a_100000702414_100000210314 [0,2,0,0,0,0|2,0,0]=4 12394 B12R0.434 CCCCCCOC(C)(C)CCC 7a_100000748436_100000210314 [0,2,0,0,0,0|2,0,0]=4 12395 B12R0.434 CCCCCNCC(C)(C)COC 2230a_100000734190_100000210326 [0,2,0,0,0,0|2,0,0]=4 12396 B12R0.434 CCCCCOCC(C)(C)CCC 7a_100011995695_100000210326 [0,2,0,0,0,0|2,0,0]=4 12397 B12R0.434 CCCCCOCC(C)(C)NCC 7a_100000747347_100000210326 [0,2,0,0,0,0|2,0,0]=4 12398 B12R0.57 C#CC(CC)OCCCCCCC 34a_100000758843_100000210614 [0,2,0,0,0,0|1,0,0]=3 12399 B12R0.57 C#CC(CC)OCCCCCCC 7a_100000758843_100000210614 [0,2,0,0,0,0|1,0,0]=3 12400 B12R0.57 C#CC(CC)OCCCCCCF 34a_100000758843_100015922095 [0,2,0,0,0,0|2,0,0]=4 12401 B12R0.57 C#CC(CC)OCCCCCCF 7a_100000758843_100015922095 [0,2,0,0,0,0|2,0,0]=4 12402 B12R0.57 C#CC(CC)OCCCCCCO 34a_100000758843_100000766143 [0,2,0,0,0,0|2,0,0]=4 12403 B12R0.57 C#CC(CC)OCCCCCCO 7a_100000758843_100000766143 [0,2,0,0,0,0|2,0,0]=4 12404 B12R0.57 C#CC(CC)OCCOCCCC 34a_100000758843_100000743108 [0,2,0,0,0,0|2,0,0]=4 12405 B12R0.57 C#CC(CC)OCCOCCCC 7a_100000758843_100000743108 [0,2,0,0,0,0|2,0,0]=4 12406 B12R0.57 C#CCCCCCN[C@@H](CC)CO 2230a_100000709445_100012094781 [0,2,0,0,0,0|0,0,2]=4 12407 B12R0.57 C#CCCCCOCC(CC)OC 34a_100011934954_100010269958 [0,2,0,0,0,0|0,0,2]=4 12408 B12R0.57 C#CCCCCOCC(CC)OC 7a_100011934954_100010269958 [0,2,0,0,0,0|0,0,2]=4 12409 B12R0.57 C=CC(CC)OCCCCCCC 34a_100000766422_100000210614 [0,2,0,0,0,0|1,0,0]=3 12410 B12R0.57 C=CC(CC)OCCCCCCC 7a_100000766422_100000210614 [0,2,0,0,0,0|1,0,0]=3 12411 B12R0.57 C=CC(CC)OCCCCCCF 34a_100000766422_100015922095 [0,2,0,0,0,0|2,0,0]=4 12412 B12R0.57 C=CC(CC)OCCCCCCF 7a_100000766422_100015922095 [0,2,0,0,0,0|2,0,0]=4 12413 B12R0.57 C=CC(CC)OCCCCCCO 34a_100000766422_100000766143 [0,2,0,0,0,0|2,0,0]=4 12414 B12R0.57 C=CC(CC)OCCCCCCO 7a_100000766422_100000766143 [0,2,0,0,0,0|2,0,0]=4 12415 B12R0.57 C=CC(CC)OCCOCCCC 34a_100000766422_100000743108 [0,2,0,0,0,0|2,0,0]=4 12416 B12R0.57 C=CC(CC)OCCOCCCC 7a_100000766422_100000743108 [0,2,0,0,0,0|2,0,0]=4 12417 B12R0.57 C=CCCCCCN[C@@H](CC)CO 2230a_100000709445_100000700193 [0,2,0,0,0,0|0,0,2]=4 12418 B12R0.57 C=CCCCCOCC(CC)OC 34a_100011934954_100011215482 [0,2,0,0,0,0|0,0,2]=4 12419 B12R0.57 C=CCCCCOCC(CC)OC 7a_100011934954_100011215482 [0,2,0,0,0,0|0,0,2]=4 12420 B12R0.57 C=C[C@@H](CO)NCCCCCCC 2230a_100016989147_100000210681 [0,2,0,0,0,0|0,0,2]=4 12421 B12R0.57 C=C[C@@H](CO)NCCCCCCC 34a_100016989147_100000210614 [0,2,0,0,0,0|0,0,2]=4 12422 B12R0.57 CC/C=C\CCOCC(CC)OC 34a_100011934954_100015370543 [0,2,0,0,0,0|0,0,2]=4 12423 B12R0.57 CC/C=C\CCOCC(CC)OC 7a_100011934954_100015370543 [0,2,0,0,0,0|0,0,2]=4 12424 B12R0.57 CCC(CC)CNCCCCCF 2230a_100102946423_100000729378 [0,2,0,0,0,0|2,0,0]=4 12425 B12R0.57 CCC(CC)CNCCCCCO 2230a_100000762737_100011215472 [0,2,0,0,0,0|2,0,0]=4 12426 B12R0.57 CCC(CC)CNCCCCCO 2230a_100102946423_100000746330 [0,2,0,0,0,0|2,0,0]=4 12427 B12R0.57 CCC(CC)CNCCCCCO 269862a_100000762737_100000211137 [0,2,0,0,0,0|2,0,0]=4 12428 B12R0.57 CCC(CC)CNCCCCCO 270004a_100000762737_100000211137 [0,2,0,0,0,0|2,0,0]=4 12429 B12R0.57 CCC(CC)CNCCCCCO 34a_100000762737_100011215472 [0,2,0,0,0,0|2,0,0]=4 12430 B12R0.57 CCC(CC)CNCCCCOC 2230a_100102946423_100000730899 [0,2,0,0,0,0|2,0,0]=4 12431 B12R0.57 CCC(CC)COCCCCCBr 34a_100000746331_100011215472 [0,2,0,0,0,0|2,0,0]=4 12432 B12R0.57 CCC(CC)COCCCCCBr 7a_100000746331_100011215472 [0,2,0,0,0,0|2,0,0]=4 12433 B12R0.57 CCC(CC)COCCCCCCl 34a_100000746330_100011215472 [0,2,0,0,0,0|2,0,0]=4 12434 B12R0.57 CCC(CC)COCCCCCCl 7a_100000746330_100011215472 [0,2,0,0,0,0|2,0,0]=4 12435 B12R0.57 CCC(CC)COCCCCCF 7a_100000703878_100000729378 [0,2,0,0,0,0|2,0,0]=4 12436 B12R0.57 CCC(CC)COCCCCCI 34a_200012148887_100011215472 [0,2,0,0,0,0|2,0,0]=4 12437 B12R0.57 CCC(CC)COCCCCCI 7a_200012148887_100011215472 [0,2,0,0,0,0|2,0,0]=4 12438 B12R0.57 CCC(CC)COCCCCCN 34a_100000762737_100011215472 [0,2,0,0,0,0|2,0,0]=4 12439 B12R0.57 CCC(CC)COCCCCCO 7a_100000703878_100000746330 [0,2,0,0,0,0|2,0,0]=4 12440 B12R0.57 CCC(CC)COCCCCOC 34a_100000740925_100011215472 [0,2,0,0,0,0|2,0,0]=4 12441 B12R0.57 CCC(CC)COCCCCOC 7a_100000703878_100000730899 [0,2,0,0,0,0|2,0,0]=4 12442 B12R0.57 CCC(CC)COCCCCSC 34a_100011217163_100011215472 [0,2,0,0,0,0|2,0,0]=4 12443 B12R0.57 CCC(CC)COCCCCSC 7a_100011217163_100011215472 [0,2,0,0,0,0|2,0,0]=4 12444 B12R0.57 CCC(CC)CSCCCCCF 62a_100000729378_100011215472 [0,2,0,0,0,0|2,0,0]=4 12445 B12R0.57 CCC(CC)CSCCCCCF 62a_100011215472_100000729378 [0,2,0,0,0,0|2,0,0]=4 12446 B12R0.57 CCC(CC)CSCCCCCO 62a_100000746330_100011215472 [0,2,0,0,0,0|2,0,0]=4 12447 B12R0.57 CCC(CC)CSCCCCCO 62a_100011215472_100000746330 [0,2,0,0,0,0|2,0,0]=4 12448 B12R0.57 CCC(CC)CSCCCCOC 62a_100000730899_100011215472 [0,2,0,0,0,0|2,0,0]=4 12449 B12R0.57 CCC(CC)CSCCCCOC 62a_100011215472_100000730899 [0,2,0,0,0,0|2,0,0]=4 12450 B12R0.57 CCC(CC)NCCCCCCF 2230a_100000199018_100015922095 [0,2,0,0,0,0|2,0,0]=4 12451 B12R0.57 CCC(CC)NCCCCCCO 2230a_100000199018_100000766143 [0,2,0,0,0,0|2,0,0]=4 12452 B12R0.57 CCC(CC)NCCCCCCO 270004a_100000686447_100000210860 [0,2,0,0,0,0|2,0,0]=4 12453 B12R0.57 CCC(CC)NCCCCCOC 270004a_100000747528_100000210860 [0,2,0,0,0,0|2,0,0]=4 12454 B12R0.57 CCC(CC)OCCCCCCBr 7a_100011215345_100000210505 [0,2,0,0,0,0|2,0,0]=4 12455 B12R0.57 CCC(CC)OCCCCCCCl 7a_100000766143_100000210505 [0,2,0,0,0,0|2,0,0]=4 12456 B12R0.57 CCC(CC)OCCCCCCF 7a_100000688536_100015922095 [0,2,0,0,0,0|2,0,0]=4 12457 B12R0.57 CCC(CC)OCCCCCCF 7a_100000732779_100000210505 [0,2,0,0,0,0|2,0,0]=4 12458 B12R0.57 CCC(CC)OCCCCCCO 7a_100000688536_100000766143 [0,2,0,0,0,0|2,0,0]=4 12459 B12R0.57 CCC(CC)SCCCCCCF 62a_100000210505_100015922095 [0,2,0,0,0,0|2,0,0]=4 12460 B12R0.57 CCC(CC)SCCCCCCF 62a_100015922095_100000210505 [0,2,0,0,0,0|2,0,0]=4 12461 B12R0.57 CCC(CC)SCCCCCCO 62a_100000210505_100000766143 [0,2,0,0,0,0|2,0,0]=4 12462 B12R0.57 CCC(CC)SCCCCCCO 62a_100000766143_100000210505 [0,2,0,0,0,0|2,0,0]=4 12463 B12R0.57 CCC(COCCCCC#N)OC 7a_100011934954_100000211819 [0,2,0,0,0,0|1,0,1]=4 12464 B12R0.57 CCC(COCCCCC=O)OC 7a_100011934954_100000139335 [0,2,0,0,0,0|1,0,1]=4 12465 B12R0.57 CCC(COCCCCCF)OC 34a_100011934954_100000729378 [0,2,0,0,0,0|1,0,0]=3 12466 B12R0.57 CCC(COCCCCCF)OC 7a_100011934954_100000729378 [0,2,0,0,0,0|1,0,0]=3 12467 B12R0.57 CCC(COCCCCCO)OC 34a_100011934954_100000746330 [0,2,0,0,0,0|1,0,0]=3 12468 B12R0.57 CCC(COCCCCCO)OC 7a_100011934954_100000746330 [0,2,0,0,0,0|1,0,0]=3 12469 B12R0.57 CCC(COCCCCOC)OC 34a_100011934954_100000755781 [0,2,0,0,0,0|1,0,0]=3 12470 B12R0.57 CCC(COCCCCOC)OC 7a_100011934954_100000730899 [0,2,0,0,0,0|1,0,0]=3 12471 B12R0.57 CCC(COCCOCCO)OC 34a_100011934954_100000692535 [0,2,0,0,0,0|2,0,0]=4 12472 B12R0.57 CCC(COCCOCCO)OC 7a_100011934954_100011215305 [0,2,0,0,0,0|2,0,0]=4 12473 B12R0.57 CCCCCCCCC(CC)NC 270004a_106832991635_200011217995 [0,2,0,0,0,0|1,0,0]=3 12474 B12R0.57 CCCCCCCCC(CC)OC 34a_200011216270_200000210301 [0,2,0,0,0,0|0,0,0]=2 12475 B12R0.57 CCCCCCCCC(CC)OC 7a_200011216270_200000210301 [0,2,0,0,0,0|0,0,0]=2 12476 B12R0.57 CCCCCCCCC(CC)O[13CH3] 34a_200011216270_200025704644 [0,2,0,0,0,0|0,0,0]=2 12477 B12R0.57 CCCCCCCCC(CC)O[13CH3] 7a_200011216270_200025704644 [0,2,0,0,0,0|0,0,0]=2 12478 B12R0.57 CCCCCCCCN(CC)CC 2230a_100000724800_100000210759 [0,2,0,0,0,0|2,0,0]=4 12479 B12R0.57 CCCCCCCCN(CC)CC 269956a_100000042499_100000210759 [0,2,0,0,0,0|2,0,0]=4 12480 B12R0.57 CCCCCCCCN(CC)CC 269982a_100000724800_100000210759 [0,2,0,0,0,0|2,0,0]=4 12481 B12R0.57 CCCCCCCNC(CC)CC 2230a_100000199018_100000210681 [0,2,0,0,0,0|1,0,0]=3 12482 B12R0.57 CCCCCCCNC(CC)CC 270004a_100000229938_100000210860 [0,2,0,0,0,0|1,0,0]=3 12483 B12R0.57 CCCCCCCNC(CO)CO 2230a_100000759517_100000210681 [0,2,0,0,0,0|1,0,0]=3 12484 B12R0.57 CCCCCCCN[C@@H](CC)CO 2230a_100000709445_100000210681 [0,2,0,0,0,0|0,0,0]=2 12485 B12R0.57 CCCCCCCOC(CC)CC 7a_100000210272_100000210505 [0,2,0,0,0,0|1,0,0]=3 12486 B12R0.57 CCCCCCCOC(CC)CC 7a_100000688536_100000210614 [0,2,0,0,0,0|1,0,0]=3 12487 B12R0.57 CCCCCCCOC(CCl)CCl 7a_100000737055_100000210614 [0,2,0,0,0,0|2,0,0]=4 12488 B12R0.57 CCCCCCCOC(CF)CF 34a_100000032261_100000210614 [0,2,0,0,0,0|2,0,0]=4 12489 B12R0.57 CCCCCCCOC(CF)CF 7a_100000032261_100000210614 [0,2,0,0,0,0|2,0,0]=4 12490 B12R0.57 CCCCCCCOC(CN)CN 34a_100000031598_100000210614 [0,2,0,0,0,0|2,0,0]=4 12491 B12R0.57 CCCCCCCO[C@@H](CF)CCl 34a_100015614560_100000210614 [0,2,0,0,0,0|2,0,0]=4 12492 B12R0.57 CCCCCCCO[C@@H](CF)CCl 7a_100015614560_100000210614 [0,2,0,0,0,0|2,0,0]=4 12493 B12R0.57 CCCCCCCSC(CC)CC 62a_100000210505_100000210316 [0,2,0,0,0,0|1,0,0]=3 12494 B12R0.57 CCCCCCCSC(CC)CC 62a_100000210614_100000210505 [0,2,0,0,0,0|1,0,0]=3 12495 B12R0.57 CCCCCCNCC(CC)CC 2230a_100000210581_100011215472 [0,2,0,0,0,0|1,0,0]=3 12496 B12R0.57 CCCCCCNCC(CC)CC 2230a_100102946423_100000210314 [0,2,0,0,0,0|1,0,0]=3 12497 B12R0.57 CCCCCCNCC(CC)CC 269862a_100000210581_100000211137 [0,2,0,0,0,0|1,0,0]=3 12498 B12R0.57 CCCCCCNCC(CC)CC 270004a_100000210581_100000211137 [0,2,0,0,0,0|1,0,0]=3 12499 B12R0.57 CCCCCCNCC(OC)OC 2230a_100000210581_100000751394 [0,2,0,0,0,0|1,0,0]=3 12500 B12R0.57 CCCCCCNCC(OC)OC 270004a_100000210581_100000752162 [0,2,0,0,0,0|1,0,0]=3 12501 B12R0.57 CCCCCCOCC(CC)CC 34a_100000210259_100011215472 [0,2,0,0,0,0|1,0,0]=3 12502 B12R0.57 CCCCCCOCC(CC)CC 7a_100000210259_100011215472 [0,2,0,0,0,0|1,0,0]=3 12503 B12R0.57 CCCCCCOCC(CC)CC 7a_100000703878_100000210314 [0,2,0,0,0,0|1,0,0]=3 12504 B12R0.57 CCCCCCOCC(CC)OC 34a_100011934954_100000210314 [0,2,0,0,0,0|0,0,0]=2 12505 B12R0.57 CCCCCCOCC(CC)OC 7a_100011934954_100000210314 [0,2,0,0,0,0|0,0,0]=2 12506 B12R0.57 CCCCCCOCC(OC)OC 34a_100000210259_100000211822 [0,2,0,0,0,0|1,0,0]=3 12507 B12R0.57 CCCCCCOCC(OC)OC 34a_100011216393_100000210314 [0,2,0,0,0,0|1,0,0]=3 12508 B12R0.57 CCCCCCOCC(OC)OC 7a_100000210259_100000751394 [0,2,0,0,0,0|1,0,0]=3 12509 B12R0.57 CCCCCCOCN(CC)CC 7a_200015374951_100000210314 [0,2,0,0,0,0|2,0,0]=4 12510 B12R0.57 CCCCCCSCC(CC)CC 62a_100000210314_100011215472 [0,2,0,0,0,0|1,0,0]=3 12511 B12R0.57 CCCCCCSCC(CC)CC 62a_100011215472_100000210757 [0,2,0,0,0,0|1,0,0]=3 12512 B12R0.57 CCCCCCSCC(OC)OC 62a_100000210314_100000751394 [0,2,0,0,0,0|1,0,0]=3 12513 B12R0.57 CCCCCCSCC(OC)OC 62a_100000751394_100000210757 [0,2,0,0,0,0|1,0,0]=3 12514 B12R0.57 CCCCCNCCC(OC)OC 2230a_100000209983_100009813347 [0,2,0,0,0,0|1,0,0]=3 12515 B12R0.57 CCCCCNCCN(CC)CC 2230a_100000209983_100000700428 [0,2,0,0,0,0|2,0,0]=4 12516 B12R0.57 CCCCCNCCN(CC)CC 2230a_100015382049_100000210326 [0,2,0,0,0,0|2,0,0]=4 12517 B12R0.57 CCCCCOCCC(OC)OC 34a_100000210253_100000139399 [0,2,0,0,0,0|1,0,0]=3 12518 B12R0.57 CCCCCOCCC(OC)OC 7a_100000210253_100009813347 [0,2,0,0,0,0|1,0,0]=3 12519 B12R0.57 CCCCCOCCN(CC)CC 7a_100000210253_100000700428 [0,2,0,0,0,0|2,0,0]=4 12520 B12R0.57 CCCCCOCCN(CC)CC 7a_100016990331_100000210326 [0,2,0,0,0,0|2,0,0]=4 12521 B12R0.57 CCCCCSCCC(OC)OC 62a_100000139399_100000210326 [0,2,0,0,0,0|1,0,0]=3 12522 B12R0.57 CCCCCSCCC(OC)OC 62a_100000210326_100000139399 [0,2,0,0,0,0|1,0,0]=3 12523 B12R0.57 CCCCCSCCN(CC)CC 62a_100000210326_100000700428 [0,2,0,0,0,0|2,0,0]=4 12524 B12R0.57 CCCCNCCCC(OC)OC 2230a_100000102301_100000069011 [0,2,0,0,0,0|1,0,0]=3 12525 B12R0.57 CCCCNCCCC(OC)OC 7a_106832991798_100000069011 [0,2,0,0,0,0|1,0,0]=3 12526 B12R0.57 CCCCNCCCN(CC)CC 2230a_100000102301_100000709985 [0,2,0,0,0,0|2,0,0]=4 12527 B12R0.57 CCCCNCCCN(CC)CC 7a_106832991798_100000709985 [0,2,0,0,0,0|2,0,0]=4 12528 B12R0.57 CCCCOCCCC(OC)OC 34a_100000210227_100000069011 [0,2,0,0,0,0|1,0,0]=3 12529 B12R0.57 CCCCOCCCC(OC)OC 7a_100000210227_100000069011 [0,2,0,0,0,0|1,0,0]=3 12530 B12R0.57 CCCCOCCCN(CC)CC 7a_100000210227_100000709985 [0,2,0,0,0,0|2,0,0]=4 12531 B12R0.57 CCCCOCCCN(CC)CC 7a_100000212844_100000210211 [0,2,0,0,0,0|2,0,0]=4 12532 B12R0.57 CCCCOCCNC(CC)CC 2230a_100000199018_100000743108 [0,2,0,0,0,0|2,0,0]=4 12533 B12R0.57 CCCCOCCNC(CO)CO 2230a_100000759517_100000743108 [0,2,0,0,0,0|2,0,0]=4 12534 B12R0.57 CCCCOCCN[C@@H](CC)CO 2230a_100000709445_100000743108 [0,2,0,0,0,0|1,0,0]=3 12535 B12R0.57 CCCCOCCOC(CC)CC 7a_100000210238_100000210505 [0,2,0,0,0,0|2,0,0]=4 12536 B12R0.57 CCCCOCCOC(CC)CC 7a_100000688536_100000743108 [0,2,0,0,0,0|2,0,0]=4 12537 B12R0.57 CCCCOCCSC(CC)CC 62a_100000210505_100000743108 [0,2,0,0,0,0|2,0,0]=4 12538 B12R0.57 CCCCOCCSC(CC)CC 62a_100000743108_100000210505 [0,2,0,0,0,0|2,0,0]=4 12539 B12R0.57 CCCCOCNCC(CC)CC 2230a_100102946423_100011995733 [0,2,0,0,0,0|2,0,0]=4 12540 B12R0.57 CCCCOCOCC(CC)OC 34a_100011934954_100011995733 [0,2,0,0,0,0|1,0,0]=3 12541 B12R0.57 CCCCOCOCC(OC)OC 34a_100011216393_100011995733 [0,2,0,0,0,0|2,0,0]=4 12542 B12R0.57 CCCCOCSCC(CC)CC 62a_100011215472_100011995733 [0,2,0,0,0,0|2,0,0]=4 12543 B12R0.57 CCCCOCSCC(CC)CC 62a_100011995733_100011215472 [0,2,0,0,0,0|2,0,0]=4 12544 B12R0.57 CCCCOCSCC(OC)OC 62a_100000751394_100011995733 [0,2,0,0,0,0|2,0,0]=4 12545 B12R0.57 CCCCOCSCC(OC)OC 62a_100011995733_100000751394 [0,2,0,0,0,0|2,0,0]=4 12546 B12R0.57 CCCCSCCCC(OC)OC 62a_100000069011_100000210210 [0,2,0,0,0,0|1,0,0]=3 12547 B12R0.57 CCCCSCCCC(OC)OC 62a_100000210211_100000069011 [0,2,0,0,0,0|1,0,0]=3 12548 B12R0.57 CCCCSCCCN(CC)CC 62a_100000210211_100000709985 [0,2,0,0,0,0|2,0,0]=4 12549 B12R0.57 CCCCSCCNC(CC)CC 270004a_100025743550_100000210860 [0,2,0,0,0,0|2,0,0]=4 12550 B12R0.57 CCCCSCCOC(CC)CC 7a_200000230436_100000210505 [0,2,0,0,0,0|2,0,0]=4 12551 B12R0.57 CCCNCCCCN(CC)CC 2230a_100000743895_100000210303 [0,2,0,0,0,0|2,0,0]=4 12552 B12R0.57 CCCOCCCCN(CC)CC 7a_100011305530_100000210303 [0,2,0,0,0,0|2,0,0]=4 12553 B12R0.57 CCCOCCCCN(CC)N=O 34a_200000035056_100000210303 [0,2,0,0,0,0|1,0,1]=4 12554 B12R0.57 CCCOCCCNC(CC)CC 270004a_100011217757_100000210860 [0,2,0,0,0,0|2,0,0]=4 12555 B12R0.57 CCCOCCNCC(CC)CC 2230a_100102946423_100011215938 [0,2,0,0,0,0|2,0,0]=4 12556 B12R0.57 CCCOCCNCC(CC)CC 2230a_100161115042_100011215472 [0,2,0,0,0,0|2,0,0]=4 12557 B12R0.57 CCCOCCNCC(CC)CC 269862a_100161115042_100000211137 [0,2,0,0,0,0|2,0,0]=4 12558 B12R0.57 CCCOCCNCC(CC)CC 270004a_100161115042_100000211137 [0,2,0,0,0,0|2,0,0]=4 12559 B12R0.57 CCCOCCNCC(CC)CC 34a_100161115042_100011215472 [0,2,0,0,0,0|2,0,0]=4 12560 B12R0.57 CCCOCCNCC(OC)OC 2230a_100161115042_100000751394 [0,2,0,0,0,0|2,0,0]=4 12561 B12R0.57 CCCOCCNCC(OC)OC 270004a_100161115042_100000752162 [0,2,0,0,0,0|2,0,0]=4 12562 B12R0.57 CCCOCCNCC(OC)OC 34a_100161115042_100000211822 [0,2,0,0,0,0|2,0,0]=4 12563 B12R0.57 CCCOCCOCC(CC)CC 34a_100000752267_100011215472 [0,2,0,0,0,0|2,0,0]=4 12564 B12R0.57 CCCOCCOCC(CC)CC 7a_100000703878_100011215938 [0,2,0,0,0,0|2,0,0]=4 12565 B12R0.57 CCCOCCOCC(CC)CC 7a_100000752267_100011215472 [0,2,0,0,0,0|2,0,0]=4 12566 B12R0.57 CCCOCCOCC(CC)OC 34a_100011934954_100011215938 [0,2,0,0,0,0|1,0,0]=3 12567 B12R0.57 CCCOCCOCC(CC)OC 7a_100011934954_100011215938 [0,2,0,0,0,0|1,0,0]=3 12568 B12R0.57 CCCOCCOCC(OC)OC 34a_100000752267_100000211822 [0,2,0,0,0,0|2,0,0]=4 12569 B12R0.57 CCCOCCOCC(OC)OC 34a_100011216393_100011215938 [0,2,0,0,0,0|2,0,0]=4 12570 B12R0.57 CCCOCCOCC(OC)OC 7a_100000752267_100000751394 [0,2,0,0,0,0|2,0,0]=4 12571 B12R0.57 CCCOCCSCC(CC)CC 62a_100011215472_100011215938 [0,2,0,0,0,0|2,0,0]=4 12572 B12R0.57 CCCOCCSCC(CC)CC 62a_100011215938_100011215472 [0,2,0,0,0,0|2,0,0]=4 12573 B12R0.57 CCCOCCSCC(OC)OC 62a_100000751394_100011215938 [0,2,0,0,0,0|2,0,0]=4 12574 B12R0.57 CCCOCCSCC(OC)OC 62a_100011215938_100000751394 [0,2,0,0,0,0|2,0,0]=4 12575 B12R0.57 CCCSCCNCC(CC)CC 2230a_100020603323_100011215472 [0,2,0,0,0,0|2,0,0]=4 12576 B12R0.57 CCCSCCNCC(CC)CC 269862a_100020603323_100000211137 [0,2,0,0,0,0|2,0,0]=4 12577 B12R0.57 CCCSCCNCC(CC)CC 270004a_100020603323_100000211137 [0,2,0,0,0,0|2,0,0]=4 12578 B12R0.57 CCCSCCNCC(OC)OC 2230a_100020603323_100000751394 [0,2,0,0,0,0|2,0,0]=4 12579 B12R0.57 CCCSCCNCC(OC)OC 270004a_100020603323_100000752162 [0,2,0,0,0,0|2,0,0]=4 12580 B12R0.57 CCCSCCOCC(CC)CC 34a_200000230433_100011215472 [0,2,0,0,0,0|2,0,0]=4 12581 B12R0.57 CCCSCCOCC(CC)CC 7a_200000230433_100011215472 [0,2,0,0,0,0|2,0,0]=4 12582 B12R0.57 CCCSCCOCC(OC)OC 34a_200000230433_100000211822 [0,2,0,0,0,0|2,0,0]=4 12583 B12R0.57 CCCSCCOCC(OC)OC 7a_200000230433_100000751394 [0,2,0,0,0,0|2,0,0]=4 12584 B12R0.57 CCN(CC)CCCCCCCO 2230a_100000724800_100000760002 [0,2,0,0,0,0|2,0,0]=4 12585 B12R0.57 CCN(CC)CCCCCCCO 269956a_100000042499_100000760002 [0,2,0,0,0,0|2,0,0]=4 12586 B12R0.57 CCN(CC)CCCCCCCO 269982a_100000724800_100000760002 [0,2,0,0,0,0|2,0,0]=4 12587 B12R0.57 CCN(CC)CCCCCCOC 2230a_100000724800_100011998445 [0,2,0,0,0,0|2,0,0]=4 12588 B12R0.57 CCN(CC)CCCCCCOC 269956a_100000042499_100011998445 [0,2,0,0,0,0|2,0,0]=4 12589 B12R0.57 CCN(CC)CCCCCCOC 269982a_100000724800_100011998445 [0,2,0,0,0,0|2,0,0]=4 12590 B12R0.57 CCN(CC)CCCCCCOC 7a_100011632896_200000210301 [0,2,0,0,0,0|2,0,0]=4 12591 B12R0.57 CCN(CC)CCCCCCO[13CH3] 7a_100011632896_200025704644 [0,2,0,0,0,0|2,0,0]=4 12592 B12R0.57 CCNCCCCCN(CC)CC 2230a_100011491781_100000210202 [0,2,0,0,0,0|2,0,0]=4 12593 B12R0.57 CCOCCCCCN(CC)CC 7a_200011629222_100000210202 [0,2,0,0,0,0|2,0,0]=4 12594 B12R0.57 CCOCCCNCC(CC)CC 2230a_100000210961_100011215472 [0,2,0,0,0,0|2,0,0]=4 12595 B12R0.57 CCOCCCNCC(CC)CC 2230a_100102946423_100012232248 [0,2,0,0,0,0|2,0,0]=4 12596 B12R0.57 CCOCCCNCC(CC)CC 269862a_100000210961_100000211137 [0,2,0,0,0,0|2,0,0]=4 12597 B12R0.57 CCOCCCNCC(CC)CC 270004a_100000210961_100000211137 [0,2,0,0,0,0|2,0,0]=4 12598 B12R0.57 CCOCCCNCC(CC)CC 34a_100000210961_100011215472 [0,2,0,0,0,0|2,0,0]=4 12599 B12R0.57 CCOCCCNCC(OC)OC 2230a_100000210961_100000751394 [0,2,0,0,0,0|2,0,0]=4 12600 B12R0.57 CCOCCCNCC(OC)OC 270004a_100000210961_100000752162 [0,2,0,0,0,0|2,0,0]=4 12601 B12R0.57 CCOCCCNCC(OC)OC 34a_100000210961_100000211822 [0,2,0,0,0,0|2,0,0]=4 12602 B12R0.57 CCOCCCOCC(CC)CC 34a_100000757476_100011215472 [0,2,0,0,0,0|2,0,0]=4 12603 B12R0.57 CCOCCCOCC(CC)CC 7a_100000703878_100012232248 [0,2,0,0,0,0|2,0,0]=4 12604 B12R0.57 CCOCCCOCC(CC)CC 7a_100000757476_100011215472 [0,2,0,0,0,0|2,0,0]=4 12605 B12R0.57 CCOCCCOCC(CC)OC 34a_100011934954_100012232248 [0,2,0,0,0,0|1,0,0]=3 12606 B12R0.57 CCOCCCOCC(CC)OC 7a_100011934954_100012232248 [0,2,0,0,0,0|1,0,0]=3 12607 B12R0.57 CCOCCCOCC(OC)OC 34a_100000757476_100000211822 [0,2,0,0,0,0|2,0,0]=4 12608 B12R0.57 CCOCCCOCC(OC)OC 34a_100011216393_100012232248 [0,2,0,0,0,0|2,0,0]=4 12609 B12R0.57 CCOCCCOCC(OC)OC 7a_100000757476_100000751394 [0,2,0,0,0,0|2,0,0]=4 12610 B12R0.57 CCOCCCSCC(CC)CC 62a_100011215472_100012232248 [0,2,0,0,0,0|2,0,0]=4 12611 B12R0.57 CCOCCCSCC(CC)CC 62a_100012232248_100011215472 [0,2,0,0,0,0|2,0,0]=4 12612 B12R0.57 CCOCCCSCC(OC)OC 62a_100000751394_100012232248 [0,2,0,0,0,0|2,0,0]=4 12613 B12R0.57 CCOCCCSCC(OC)OC 62a_100012232248_100000751394 [0,2,0,0,0,0|2,0,0]=4 12614 B12R0.57 CCOCCNCCC(OC)OC 2230a_102516460346_100009813347 [0,2,0,0,0,0|2,0,0]=4 12615 B12R0.57 CCOCCNCCC(OC)OC 34a_102516460346_100000139399 [0,2,0,0,0,0|2,0,0]=4 12616 B12R0.57 CCOCCOCCC(OC)OC 34a_100000210136_100000139399 [0,2,0,0,0,0|2,0,0]=4 12617 B12R0.57 CCOCCOCCC(OC)OC 7a_100000210136_100009813347 [0,2,0,0,0,0|2,0,0]=4 12618 B12R0.57 CCOCCSCCC(OC)OC 62a_100000139399_100011215890 [0,2,0,0,0,0|2,0,0]=4 12619 B12R0.57 CCOCCSCCC(OC)OC 62a_100000210147_100000139399 [0,2,0,0,0,0|2,0,0]=4 12620 B12R0.57 CCOCSCCCC(OC)OC 62a_100000069011_100000739092 [0,2,0,0,0,0|2,0,0]=4 12621 B12R0.57 CCOCSCCCC(OC)OC 62a_100000739092_100000069011 [0,2,0,0,0,0|2,0,0]=4 12622 B12R0.57 CCSCCCOCC(CC)CC 34a_100011216438_100011215472 [0,2,0,0,0,0|2,0,0]=4 12623 B12R0.57 CCSCCCOCC(CC)CC 7a_100011216438_100011215472 [0,2,0,0,0,0|2,0,0]=4 12624 B12R0.57 CCSCCCOCC(OC)OC 34a_100011216438_100000211822 [0,2,0,0,0,0|2,0,0]=4 12625 B12R0.57 CCSCCCOCC(OC)OC 7a_100011216438_100000751394 [0,2,0,0,0,0|2,0,0]=4 12626 B12R0.57 CCSCCNCCC(OC)OC 2230a_100000106463_100009813347 [0,2,0,0,0,0|2,0,0]=4 12627 B12R0.57 CCSCCOCCC(OC)OC 34a_100000212035_100000139399 [0,2,0,0,0,0|2,0,0]=4 12628 B12R0.57 CCSCCOCCC(OC)OC 7a_100000212035_100009813347 [0,2,0,0,0,0|2,0,0]=4 12629 B12R0.57 CCSCCSCCC(OC)OC 62a_100000139399_100000757381 [0,2,0,0,0,0|2,0,0]=4 12630 B12R0.57 CCSCCSCCC(OC)OC 62a_100000757381_100000139399 [0,2,0,0,0,0|2,0,0]=4 12631 B12R0.57 CC[C@@H](CO)NCCCCCC#N 2230a_100000709445_100009813376 [0,2,0,0,0,0|1,0,1]=4 12632 B12R0.57 CC[C@@H](CO)NCCCCCC=O 2230a_100000709445_100000139337 [0,2,0,0,0,0|1,0,1]=4 12633 B12R0.57 CC[C@@H](CO)NCCCCCCF 2230a_100000709445_100015922095 [0,2,0,0,0,0|1,0,0]=3 12634 B12R0.57 CC[C@@H](CO)NCCCCCCO 2230a_100000709445_100000766143 [0,2,0,0,0,0|1,0,0]=3 12635 B12R0.57 CC[C@@H](CO)NCCOCCOC 2230a_100000709445_100000695917 [0,2,0,0,0,0|2,0,0]=4 12636 B12R0.57 CNCCCOCCC(OC)OC 34a_100000213112_100000139399 [0,2,0,0,0,0|2,0,0]=4 12637 B12R0.57 COC(CCCNCCCF)OC 2230a_100015189416_100000069011 [0,2,0,0,0,0|2,0,0]=4 12638 B12R0.57 COC(CCCNCCCF)OC 34a_100015189416_100000069011 [0,2,0,0,0,0|2,0,0]=4 12639 B12R0.57 COC(CCCNCCSC)OC 2230a_100020590264_100000069011 [0,2,0,0,0,0|2,0,0]=4 12640 B12R0.57 COC(CCCOCCCBr)OC 34a_100011217188_100000069011 [0,2,0,0,0,0|2,0,0]=4 12641 B12R0.57 COC(CCCOCCCCl)OC 34a_100000230001_100000069011 [0,2,0,0,0,0|2,0,0]=4 12642 B12R0.57 COC(CCCOCCCF)OC 34a_100000759539_100000069011 [0,2,0,0,0,0|2,0,0]=4 12643 B12R0.57 COC(CCCOCCCN)OC 34a_100000182051_100000069011 [0,2,0,0,0,0|2,0,0]=4 12644 B12R0.57 COC(CCCOCCSC)OC 34a_100000230434_100000069011 [0,2,0,0,0,0|2,0,0]=4 12645 B12R0.57 COC(CCCOCCSC)OC 7a_100000230434_100000069011 [0,2,0,0,0,0|2,0,0]=4 12646 B12R0.57 COC(CCCSCCCF)OC 62a_100000069011_100011934791 [0,2,0,0,0,0|2,0,0]=4 12647 B12R0.57 COC(CCCSCCCF)OC 62a_100011934791_100000069011 [0,2,0,0,0,0|2,0,0]=4 12648 B12R0.57 COC(CCCSCCCO)OC 62a_100000069011_100011215043 [0,2,0,0,0,0|2,0,0]=4 12649 B12R0.57 COC(CCCSCCCO)OC 62a_100011215043_100000069011 [0,2,0,0,0,0|2,0,0]=4 12650 B12R0.57 COC(CCCSCCSC)OC 62a_100000069011_100000751147 [0,2,0,0,0,0|2,0,0]=4 12651 B12R0.57 COC(CCCSCCSC)OC 62a_100000212216_100000069011 [0,2,0,0,0,0|2,0,0]=4 12652 B12R0.57 COC(CCNCCCCO)OC 2230a_100000750430_100009813347 [0,2,0,0,0,0|2,0,0]=4 12653 B12R0.57 COC(CCNCCCCO)OC 34a_100000750430_100000139399 [0,2,0,0,0,0|2,0,0]=4 12654 B12R0.57 COC(CCNCCCSC)OC 2230a_100000749238_100009813347 [0,2,0,0,0,0|2,0,0]=4 12655 B12R0.57 COC(CCOCCCCBr)OC 34a_100011216708_100000139399 [0,2,0,0,0,0|2,0,0]=4 12656 B12R0.57 COC(CCOCCCCCl)OC 34a_100000210776_100000139399 [0,2,0,0,0,0|2,0,0]=4 12657 B12R0.57 COC(CCOCCCCCl)OC 7a_100000210776_100009813347 [0,2,0,0,0,0|2,0,0]=4 12658 B12R0.57 COC(CCOCCCCF)OC 34a_100011995726_100000139399 [0,2,0,0,0,0|2,0,0]=4 12659 B12R0.57 COC(CCOCCCCF)OC 7a_100011995726_100009813347 [0,2,0,0,0,0|2,0,0]=4 12660 B12R0.57 COC(CCOCCCCI)OC 34a_200012148704_100000139399 [0,2,0,0,0,0|2,0,0]=4 12661 B12R0.57 COC(CCOCCCCN)OC 34a_100000750430_100000139399 [0,2,0,0,0,0|2,0,0]=4 12662 B12R0.57 COC(CCOCCCSC)OC 34a_100000690336_100000139399 [0,2,0,0,0,0|2,0,0]=4 12663 B12R0.57 COC(CCOCCCSC)OC 7a_100000690336_100009813347 [0,2,0,0,0,0|2,0,0]=4 12664 B12R0.57 COC(CCSCCCCF)OC 62a_100000139399_100000729493 [0,2,0,0,0,0|2,0,0]=4 12665 B12R0.57 COC(CCSCCCCF)OC 62a_100000729493_100000139399 [0,2,0,0,0,0|2,0,0]=4 12666 B12R0.57 COC(CCSCCCCO)OC 62a_100000139399_100000210776 [0,2,0,0,0,0|2,0,0]=4 12667 B12R0.57 COC(CCSCCCCO)OC 62a_100000210776_100000139399 [0,2,0,0,0,0|2,0,0]=4 12668 B12R0.57 COC(CNCCCCCO)OC 2230a_100000762737_100000751394 [0,2,0,0,0,0|2,0,0]=4 12669 B12R0.57 COC(CNCCCCCO)OC 270004a_100000762737_100000752162 [0,2,0,0,0,0|2,0,0]=4 12670 B12R0.57 COC(CNCCCCCO)OC 34a_100000762737_100000211822 [0,2,0,0,0,0|2,0,0]=4 12671 B12R0.57 COC(COCCCCCBr)OC 34a_100000746331_100000211822 [0,2,0,0,0,0|2,0,0]=4 12672 B12R0.57 COC(COCCCCCBr)OC 7a_100000746331_100000751394 [0,2,0,0,0,0|2,0,0]=4 12673 B12R0.57 COC(COCCCCCCl)OC 34a_100000746330_100000211822 [0,2,0,0,0,0|2,0,0]=4 12674 B12R0.57 COC(COCCCCCCl)OC 7a_100000746330_100000751394 [0,2,0,0,0,0|2,0,0]=4 12675 B12R0.57 COC(COCCCCCF)OC 34a_100011216393_100000729378 [0,2,0,0,0,0|2,0,0]=4 12676 B12R0.57 COC(COCCCCCI)OC 34a_200012148887_100000211822 [0,2,0,0,0,0|2,0,0]=4 12677 B12R0.57 COC(COCCCCCI)OC 7a_200012148887_100000751394 [0,2,0,0,0,0|2,0,0]=4 12678 B12R0.57 COC(COCCCCCN)OC 34a_100000762737_100000211822 [0,2,0,0,0,0|2,0,0]=4 12679 B12R0.57 COC(COCCCCCO)OC 34a_100011216393_100000746330 [0,2,0,0,0,0|2,0,0]=4 12680 B12R0.57 COC(COCCCCSC)OC 34a_100011217163_100000211822 [0,2,0,0,0,0|2,0,0]=4 12681 B12R0.57 COC(COCCCCSC)OC 7a_100011217163_100000751394 [0,2,0,0,0,0|2,0,0]=4 12682 B12R0.57 COC(CSCCCCCF)OC 62a_100000729378_100000751394 [0,2,0,0,0,0|2,0,0]=4 12683 B12R0.57 COC(CSCCCCCF)OC 62a_100000751394_100000729378 [0,2,0,0,0,0|2,0,0]=4 12684 B12R0.57 COC(CSCCCCCO)OC 62a_100000746330_100000751394 [0,2,0,0,0,0|2,0,0]=4 12685 B12R0.57 COC(CSCCCCCO)OC 62a_100000751394_100000746330 [0,2,0,0,0,0|2,0,0]=4 12686 B12R0.57 COCCCCOCC(OC)OC 34a_100000740925_100000211822 [0,2,0,0,0,0|2,0,0]=4 12687 B12R0.57 COCCCCOCC(OC)OC 34a_100011216393_100000755781 [0,2,0,0,0,0|2,0,0]=4 12688 B12R0.57 COCCCCSCC(OC)OC 62a_100000730899_100000751394 [0,2,0,0,0,0|2,0,0]=4 12689 B12R0.57 COCCCCSCC(OC)OC 62a_100000751394_100000730899 [0,2,0,0,0,0|2,0,0]=4 12690 B12R0.57 COCCCNCCC(OC)OC 34a_100150723488_100000139399 [0,2,0,0,0,0|2,0,0]=4 12691 B12R0.57 COCCCOCCC(OC)OC 34a_100000740835_100000139399 [0,2,0,0,0,0|2,0,0]=4 12692 B12R0.57 COCCCSCCC(OC)OC 62a_100000139399_100000709357 [0,2,0,0,0,0|2,0,0]=4 12693 B12R0.57 COCCCSCCC(OC)OC 62a_100000709357_100000139399 [0,2,0,0,0,0|2,0,0]=4 12694 B12R0.57 COCCNCCCC(OC)OC 2230a_100000209980_100000069011 [0,2,0,0,0,0|2,0,0]=4 12695 B12R0.57 COCCOCCCC(OC)OC 34a_100000210237_100000069011 [0,2,0,0,0,0|2,0,0]=4 12696 B12R0.57 COCCSCCCC(OC)OC 62a_100000069011_100000233755 [0,2,0,0,0,0|2,0,0]=4 12697 B12R0.57 COCCSCCCC(OC)OC 62a_100000233755_100000069011 [0,2,0,0,0,0|2,0,0]=4 12698 B12R0.57 OCC(CO)NCCCCCCF 2230a_100000759517_100015922095 [0,2,0,0,0,0|2,0,0]=4 12699 B12R0.57 OCCCCCCNC(CO)CO 2230a_100000759517_100000766143 [0,2,0,0,0,0|2,0,0]=4 12700 B12R0.102 C=CC(O)COCC(C)CCCC 34a_100011995851_100000730141 [0,2,0,0,0,0|0,0,2]=4 12701 B12R0.102 C=CC(O)COCC(C)CCCC 7a_100011995851_100000730141 [0,2,0,0,0,0|0,0,2]=4 12702 B12R0.102 C=CC(O)COC[C@@H](N)CCCC 34a_100011934283_100000730141 [0,2,0,0,0,0|0,0,2]=4 12703 B12R0.102 CCC(C)CCNC(C)CCOC 270004a_100020591266_100000742357 [0,2,0,0,0,0|2,0,0]=4 12704 B12R0.102 CCC(C)CCNC(C)CCSC 270004a_100020591266_100011217047 [0,2,0,0,0,0|2,0,0]=4 12705 B12R0.102 CCC(C)CNC[C@H](C)CCCO 2230a_100160569302_100000748023 [0,2,0,0,0,0|2,0,0]=4 12706 B12R0.102 CCC(C)CNC[C@H](C)CCCO 270004a_100160569302_100000243153 [0,2,0,0,0,0|2,0,0]=4 12707 B12R0.102 CCC(C)CNC[C@H](C)CCCO 34a_100160569302_100000748023 [0,2,0,0,0,0|2,0,0]=4 12708 B12R0.102 CCC(C)COC[C@@H](N)CCSC 34a_100011827619_100000748023 [0,2,0,0,0,0|2,0,0]=4 12709 B12R0.102 CCC(O)CNC[C@H](C)CCCO 2230a_100160569302_100011218378 [0,2,0,0,0,0|1,0,0]=3 12710 B12R0.102 CCC(O)CNC[C@H](C)CCCO 34a_100160569302_100011218378 [0,2,0,0,0,0|1,0,0]=3 12711 B12R0.102 CCC(O)COC[C@@H](C)OCOC 34a_100016172286_100011218378 [0,2,0,0,0,0|2,0,0]=4 12712 B12R0.102 CCC(O)COC[C@@H](C)OCOC 7a_100016172286_100011218378 [0,2,0,0,0,0|2,0,0]=4 12713 B12R0.102 CCC(O)COC[C@@H](N)CCSC 34a_100011827619_100011218378 [0,2,0,0,0,0|1,0,0]=3 12714 B12R0.102 CCCCC(=NNCC(O)CC)C 4a_100015206393_100000210087 [0,2,0,0,0,0|1,0,1]=4 12715 B12R0.102 CCCCC(=O)CCCN(C)CC 1458a_100000210183_100015186262 [0,2,0,0,0,0|2,0,0]=4 12716 B12R0.102 CCCCC(=O)NCCC(C)CC 11a_100020591266_100000210183 [0,2,0,0,0,0|1,0,1]=4 12717 B12R0.102 CCCCC(=O)NCCC(C)CC 1626a_100020591266_100000210183 [0,2,0,0,0,0|1,0,1]=4 12718 B12R0.102 CCCCC(=O)NCCC(C)CC 240690a_100020591266_100000210183 [0,2,0,0,0,0|1,0,1]=4 12719 B12R0.102 CCCCC(=O)NCCC(C)CC 527a_100020591266_100000210183 [0,2,0,0,0,0|1,0,1]=4 12720 B12R0.102 CCCCC(=O)NNCC(O)CC 22a_100015206393_100000210183 [0,2,0,0,0,0|1,0,1]=4 12721 B12R0.102 CCCCC(C)COCC(=O)CC 7a_100011995851_100000747405 [0,2,0,0,0,0|0,0,2]=4 12722 B12R0.102 CCCCC(C)COCC(C)CC 34a_100011995851_100000748023 [0,2,0,0,0,0|1,0,0]=3 12723 B12R0.102 CCCCC(C)COCC(C)CC 7a_100011995851_100000748023 [0,2,0,0,0,0|1,0,0]=3 12724 B12R0.102 CCCCC(C)COCC(O)CC 34a_100011995851_100011218378 [0,2,0,0,0,0|0,0,0]=2 12725 B12R0.102 CCCCC(C)COCC(O)CC 7a_100011995851_100011218378 [0,2,0,0,0,0|0,0,0]=2 12726 B12R0.102 CCCCC(C)COCC(O)CO 34a_100011995851_100011219619 [0,2,0,0,0,0|1,0,0]=3 12727 B12R0.102 CCCCC(C)COCC(O)CO 7a_100011995851_100011219619 [0,2,0,0,0,0|1,0,0]=3 12728 B12R0.102 CCCCC(C)COC[C@@H](C)CC 34a_100011995851_100009816398 [0,2,0,0,0,0|1,0,0]=3 12729 B12R0.102 CCCCC(C)COC[C@@H](C)CC 7a_100011995851_100009816398 [0,2,0,0,0,0|1,0,0]=3 12730 B12R0.102 CCCCC(C)COC[C@@H](C)CO 34a_100011995851_100000059175 [0,2,0,0,0,0|2,0,0]=4 12731 B12R0.102 CCCCC(C)COC[C@@H](C)CO 7a_100011995851_100000059175 [0,2,0,0,0,0|2,0,0]=4 12732 B12R0.102 CCCCC(C)COC[C@@H](O)CF 34a_100011995851_100015614560 [0,2,0,0,0,0|1,0,0]=3 12733 B12R0.102 CCCCC(C)COC[C@@H](O)CF 7a_100011995851_100015614560 [0,2,0,0,0,0|1,0,0]=3 12734 B12R0.102 CCCCC(C)COC[C@@H](O)CO 34a_100011995851_100009815848 [0,2,0,0,0,0|1,0,0]=3 12735 B12R0.102 CCCCC(C)COC[C@@H](O)CO 7a_100011995851_100009815848 [0,2,0,0,0,0|1,0,0]=3 12736 B12R0.102 CCCCC(C)NCCC(C)CC 2230a_100020591266_200011215066 [0,2,0,0,0,0|1,0,0]=3 12737 B12R0.102 CCCCC(C)NCCC(C)CC 270004a_100020591266_100000210087 [0,2,0,0,0,0|1,0,0]=3 12738 B12R0.102 CCCCC(C)NCCC(C)CO 2230a_106354213184_200011215066 [0,2,0,0,0,0|2,0,0]=4 12739 B12R0.102 CCCCC(C)NCCC(C)CO 270004a_106354213184_100000210087 [0,2,0,0,0,0|2,0,0]=4 12740 B12R0.102 CCCCC(C)NCCC(C)CO 34a_106354213184_200011215066 [0,2,0,0,0,0|2,0,0]=4 12741 B12R0.102 CCCCC(C)OCCC(C)CC 7a_100011215188_200011215066 [0,2,0,0,0,0|1,0,0]=3 12742 B12R0.102 CCCCC(C)OCCC(C)OC 7a_100000764861_200011215066 [0,2,0,0,0,0|2,0,0]=4 12743 B12R0.102 CCCCN(C)CCCN(C)CC 2230a_100000207549_100015186262 [0,2,0,0,0,0|2,0,0]=4 12744 B12R0.102 CCCCN(C)CCCN(C)CC 269982a_100000207549_100015186262 [0,2,0,0,0,0|2,0,0]=4 12745 B12R0.102 CCCC[C@H](N)COCC(C)CC 34a_100011934283_100000748023 [0,2,0,0,0,0|1,0,0]=3 12746 B12R0.102 CCCC[C@H](N)COCC(O)CC 34a_100011934283_100011218378 [0,2,0,0,0,0|0,0,0]=2 12747 B12R0.102 CCCC[C@H](N)COCC(O)CO 34a_100011934283_100011219619 [0,2,0,0,0,0|1,0,0]=3 12748 B12R0.102 CCCC[C@H](N)COC[C@@H](C)CC 34a_100011934283_100009816398 [0,2,0,0,0,0|1,0,0]=3 12749 B12R0.102 CCCC[C@H](N)COC[C@@H](C)CO 34a_100011934283_100000059175 [0,2,0,0,0,0|2,0,0]=4 12750 B12R0.102 CCCC[C@H](N)COC[C@@H](O)CF 34a_100011934283_100015614560 [0,2,0,0,0,0|1,0,0]=3 12751 B12R0.102 CCCC[C@H](N)COC[C@@H](O)CO 34a_100011934283_100009815848 [0,2,0,0,0,0|1,0,0]=3 12752 B12R0.102 CCCNC(=O)CNCC(O)CC 2230a_100000174927_100011218378 [0,2,0,0,0,0|1,0,1]=4 12753 B12R0.102 CCCNC(=O)CNCC(O)CC 2230a_100011218483_100000183358 [0,2,0,0,0,0|1,0,1]=4 12754 B12R0.102 CCCNC(=O)CSCC(O)CC 62a_100000183358_100011218378 [0,2,0,0,0,0|1,0,1]=4 12755 B12R0.102 CCCNC(=O)CSCC(O)CC 62a_100011218378_100000183358 [0,2,0,0,0,0|1,0,1]=4 12756 B12R0.102 CCCOC(=O)CNCC(O)CC 2230a_100011218483_200011215008 [0,2,0,0,0,0|1,0,1]=4 12757 B12R0.102 CCCOC(=O)CSCC(O)CC 62a_100011218378_200011215008 [0,2,0,0,0,0|1,0,1]=4 12758 B12R0.102 CCCOC(=O)CSCC(O)CC 62a_200011215008_100011218378 [0,2,0,0,0,0|1,0,1]=4 12759 B12R0.102 CCCOC(C)CNCC(C)CC 2230a_100015185124_100000748023 [0,2,0,0,0,0|2,0,0]=4 12760 B12R0.102 CCCOC(C)CNCC(C)CC 270004a_100015185124_100000243153 [0,2,0,0,0,0|2,0,0]=4 12761 B12R0.102 CCCOC(C)CNCC(C)CC 34a_100015185124_100000748023 [0,2,0,0,0,0|2,0,0]=4 12762 B12R0.102 CCCOC(C)CNCC(O)CC 2230a_100015185124_100011218378 [0,2,0,0,0,0|1,0,0]=3 12763 B12R0.102 CCCOC(C)CNCC(O)CC 34a_100015185124_100011218378 [0,2,0,0,0,0|1,0,0]=3 12764 B12R0.102 CCCOC(C)CNCC(O)CO 2230a_100015185124_100011219619 [0,2,0,0,0,0|2,0,0]=4 12765 B12R0.102 CCCOC(C)CNCC(O)CO 34a_100015185124_100011219619 [0,2,0,0,0,0|2,0,0]=4 12766 B12R0.102 CCCOC(C)CNC[C@@H](C)CC 2230a_100015185124_100009816398 [0,2,0,0,0,0|2,0,0]=4 12767 B12R0.102 CCCOC(C)CNC[C@@H](C)CC 34a_100015185124_100009816398 [0,2,0,0,0,0|2,0,0]=4 12768 B12R0.102 CCCOC(C)CNC[C@@H](O)CF 2230a_100015185124_100015614560 [0,2,0,0,0,0|2,0,0]=4 12769 B12R0.102 CCCOC(C)CNC[C@@H](O)CF 34a_100015185124_100015614560 [0,2,0,0,0,0|2,0,0]=4 12770 B12R0.102 CCCOC(C)CNC[C@@H](O)CO 2230a_100015185124_100009815848 [0,2,0,0,0,0|2,0,0]=4 12771 B12R0.102 CCCOC(C)CNC[C@@H](O)CO 34a_100015185124_100009815848 [0,2,0,0,0,0|2,0,0]=4 12772 B12R0.102 CCOCC(O)CNCC(C)CC 2230a_102515437182_100000748023 [0,2,0,0,0,0|2,0,0]=4 12773 B12R0.102 CCOCC(O)CNCC(C)CC 270004a_102515437182_100000243153 [0,2,0,0,0,0|2,0,0]=4 12774 B12R0.102 CCOCC(O)CNCC(C)CC 34a_102515437182_100000748023 [0,2,0,0,0,0|2,0,0]=4 12775 B12R0.102 CCOCC(O)CNCC(O)CC 2230a_102515437182_100011218378 [0,2,0,0,0,0|1,0,0]=3 12776 B12R0.102 CCOCC(O)CNCC(O)CC 34a_102515437182_100011218378 [0,2,0,0,0,0|1,0,0]=3 12777 B12R0.102 CCOCC(O)CNCC(O)CO 2230a_102515437182_100011219619 [0,2,0,0,0,0|2,0,0]=4 12778 B12R0.102 CCOCC(O)CNCC(O)CO 34a_102515437182_100011219619 [0,2,0,0,0,0|2,0,0]=4 12779 B12R0.102 CCOCC(O)CNC[C@@H](C)CC 2230a_102515437182_100009816398 [0,2,0,0,0,0|2,0,0]=4 12780 B12R0.102 CCOCC(O)CNC[C@@H](C)CC 34a_102515437182_100009816398 [0,2,0,0,0,0|2,0,0]=4 12781 B12R0.102 CCOCC(O)CNC[C@@H](O)CF 2230a_102515437182_100015614560 [0,2,0,0,0,0|2,0,0]=4 12782 B12R0.102 CCOCC(O)CNC[C@@H](O)CF 34a_102515437182_100015614560 [0,2,0,0,0,0|2,0,0]=4 12783 B12R0.102 CCOCC(O)CNC[C@@H](O)CO 2230a_102515437182_100009815848 [0,2,0,0,0,0|2,0,0]=4 12784 B12R0.102 CCOCC(O)CNC[C@@H](O)CO 34a_102515437182_100009815848 [0,2,0,0,0,0|2,0,0]=4 12785 B12R0.102 CCSCC(C)NCCC(C)CC 270004a_100020591266_200011216171 [0,2,0,0,0,0|2,0,0]=4 12786 B12R0.102 CC[C@H](C)CNC[C@H](C)CCCO 2230a_100160569302_100009816398 [0,2,0,0,0,0|2,0,0]=4 12787 B12R0.102 CC[C@H](C)CNC[C@H](C)CCCO 34a_100160569302_100009816398 [0,2,0,0,0,0|2,0,0]=4 12788 B12R0.102 CC[C@H](C)COC[C@@H](N)CCSC 34a_100011827619_100009816398 [0,2,0,0,0,0|2,0,0]=4 12789 B12R0.102 CSCC[C@H](N)COCC(O)CO 34a_100011827619_100011219619 [0,2,0,0,0,0|2,0,0]=4 12790 B12R0.102 CSCC[C@H](N)COC[C@@H](O)CF 34a_100011827619_100015614560 [0,2,0,0,0,0|2,0,0]=4 12791 B12R0.102 CSCC[C@H](N)COC[C@@H](O)CO 34a_100011827619_100009815848 [0,2,0,0,0,0|2,0,0]=4 12792 B12R0.102 C[C@H](CCCO)CNCC(O)CO 2230a_100160569302_100011219619 [0,2,0,0,0,0|2,0,0]=4 12793 B12R0.102 C[C@H](CCCO)CNCC(O)CO 34a_100160569302_100011219619 [0,2,0,0,0,0|2,0,0]=4 12794 B12R0.102 C[C@H](CCCO)CNC[C@@H](O)CF 2230a_100160569302_100015614560 [0,2,0,0,0,0|2,0,0]=4 12795 B12R0.102 C[C@H](CCCO)CNC[C@@H](O)CF 34a_100160569302_100015614560 [0,2,0,0,0,0|2,0,0]=4 12796 B12R0.102 C[C@H](CCCO)CNC[C@@H](O)CO 2230a_100160569302_100009815848 [0,2,0,0,0,0|2,0,0]=4 12797 B12R0.102 C[C@H](CCCO)CNC[C@@H](O)CO 34a_100160569302_100009815848 [0,2,0,0,0,0|2,0,0]=4 12798 B12R0.113 C#CCCCCC(=O)CC(O)CC 1458a_100000696528_100011218378 [0,2,0,0,0,0|0,0,2]=4 12799 B12R0.113 C#CCCCCC(=O)CC(O)CC 1458a_100011667805_100010269958 [0,2,0,0,0,0|0,0,2]=4 12800 B12R0.113 C=CC(O)CN(C)CCCCCC 2230a_106256046315_100000730141 [0,2,0,0,0,0|0,0,2]=4 12801 B12R0.113 C=CCCCCC(=O)CC(O)CC 1458a_100011215552_100011218378 [0,2,0,0,0,0|0,0,2]=4 12802 B12R0.113 C=CCCCCC(=O)CC(O)CC 1458a_100011667805_100011215482 [0,2,0,0,0,0|0,0,2]=4 12803 B12R0.113 C=CCCCCN(C)CC(O)CC 2230a_100012000471_100011218378 [0,2,0,0,0,0|0,0,2]=4 12804 B12R0.113 C=CCCCCN(C)CC(O)CC 269982a_100012000471_100011218378 [0,2,0,0,0,0|0,0,2]=4 12805 B12R0.113 CC/C=C\CCC(=O)CC(O)CC 1458a_100011667805_100015370543 [0,2,0,0,0,0|0,0,2]=4 12806 B12R0.113 CCC(C)CC(=O)CCCCCF 1458a_100000708755_100000729378 [0,2,0,0,0,0|1,0,1]=4 12807 B12R0.113 CCC(C)CC(=O)CCCCCO 1458a_100000708755_100000746330 [0,2,0,0,0,0|1,0,1]=4 12808 B12R0.113 CCC(C)CC(=O)CCCCCO 1458a_100102619762_100000748023 [0,2,0,0,0,0|1,0,1]=4 12809 B12R0.113 CCC(C)CC(=O)CCCCOC 1458a_100000708755_100000755781 [0,2,0,0,0,0|1,0,1]=4 12810 B12R0.113 CCC(C)CC(C)NCCCCF 2230a_100000763565_100000729493 [0,2,0,0,0,0|2,0,0]=4 12811 B12R0.113 CCC(C)CC(C)NCCCCO 2230a_100000763565_100000210776 [0,2,0,0,0,0|2,0,0]=4 12812 B12R0.113 CCC(C)CC(C)NCCCCO 270004a_100000750430_100011710205 [0,2,0,0,0,0|2,0,0]=4 12813 B12R0.113 CCC(C)CC(C)NCCCOC 2230a_100000763565_100000740836 [0,2,0,0,0,0|2,0,0]=4 12814 B12R0.113 CCC(C)CC(C)NCCCOC 270004a_100150723488_100011710205 [0,2,0,0,0,0|2,0,0]=4 12815 B12R0.113 CCC(C)CC(C)NCCCSC 270004a_100000749238_100011710205 [0,2,0,0,0,0|2,0,0]=4 12816 B12R0.113 CCC(C)CN(C)CCCCCF 2230a_100000753921_100000729378 [0,2,0,0,0,0|2,0,0]=4 12817 B12R0.113 CCC(C)CN(C)CCCCCF 269982a_100000753921_100000729378 [0,2,0,0,0,0|2,0,0]=4 12818 B12R0.113 CCC(C)CN(C)CCCCCO 2230a_100000722520_100000748023 [0,2,0,0,0,0|2,0,0]=4 12819 B12R0.113 CCC(C)CN(C)CCCCCO 2230a_100000753921_100000746330 [0,2,0,0,0,0|2,0,0]=4 12820 B12R0.113 CCC(C)CN(C)CCCCCO 269982a_100000722520_100000748023 [0,2,0,0,0,0|2,0,0]=4 12821 B12R0.113 CCC(C)CN(C)CCCCCO 269982a_100000753921_100000746330 [0,2,0,0,0,0|2,0,0]=4 12822 B12R0.113 CCC(C)CN(C)CCCCCO 270004a_100000722520_100000243153 [0,2,0,0,0,0|2,0,0]=4 12823 B12R0.113 CCC(C)CN(C)CCCCOC 2230a_100000753921_100000730899 [0,2,0,0,0,0|2,0,0]=4 12824 B12R0.113 CCC(C)CN(C)CCCCOC 269982a_100000753921_100000730899 [0,2,0,0,0,0|2,0,0]=4 12825 B12R0.113 CCC(O)CC(=O)CCCCC#N 1458a_100011667805_100000211819 [0,2,0,0,0,0|0,0,2]=4 12826 B12R0.113 CCC(O)CC(=O)CCCCCF 1458a_100011667805_100000729378 [0,2,0,0,0,0|0,0,1]=3 12827 B12R0.113 CCC(O)CC(=O)CCCCCO 1458a_100011667805_100000746330 [0,2,0,0,0,0|0,0,1]=3 12828 B12R0.113 CCC(O)CC(=O)CCCCCO 1458a_100102619762_100011218378 [0,2,0,0,0,0|0,0,1]=3 12829 B12R0.113 CCC(O)CC(=O)CCCCOC 1458a_100011667805_100000755781 [0,2,0,0,0,0|0,0,1]=3 12830 B12R0.113 CCC(O)CC(=O)CCOCCO 1458a_100011229844_100011218378 [0,2,0,0,0,0|1,0,1]=4 12831 B12R0.113 CCC(O)CC(=O)CCOCCO 1458a_100011667805_100011215305 [0,2,0,0,0,0|1,0,1]=4 12832 B12R0.113 CCC(O)CC(=O)COCCOC 1458a_100000211095_100011218378 [0,2,0,0,0,0|1,0,1]=4 12833 B12R0.113 CCC(O)CC(=O)NCCCCO 240690a_100000750430_100011667805 [0,2,0,0,0,0|1,0,1]=4 12834 B12R0.113 CCC(O)CC(=O)NCCCOC 1626a_100150723488_100011667805 [0,2,0,0,0,0|1,0,1]=4 12835 B12R0.113 CCC(O)CC(=O)NCCCOC 240690a_100150723488_100011667805 [0,2,0,0,0,0|1,0,1]=4 12836 B12R0.113 CCC(O)CC(=O)NCCCSC 1626a_100000749238_100011667805 [0,2,0,0,0,0|1,0,1]=4 12837 B12R0.113 CCC(O)CC(=O)NCCCSC 240690a_100000749238_100011667805 [0,2,0,0,0,0|1,0,1]=4 12838 B12R0.113 CCC(O)CN(C)CCCCCO 2230a_100000722520_100011218378 [0,2,0,0,0,0|1,0,0]=3 12839 B12R0.113 CCC(O)CN(C)CCCCCO 269982a_100000722520_100011218378 [0,2,0,0,0,0|1,0,0]=3 12840 B12R0.113 CCC(O)CN(C)CCOCCO 2230a_100000228057_100011218378 [0,2,0,0,0,0|2,0,0]=4 12841 B12R0.113 CCC(O)CN(C)CCOCCO 269982a_100000228057_100011218378 [0,2,0,0,0,0|2,0,0]=4 12842 B12R0.113 CCC/C=C/CC(=O)CC(O)CC 1458a_200016266809_100011218378 [0,2,0,0,0,0|0,0,2]=4 12843 B12R0.113 CCCCC=CC(=O)CC(O)CC 1458a_100016266645_100011218378 [0,2,0,0,0,0|0,0,2]=4 12844 B12R0.113 CCCCCCC(=O)CC(=O)CC 1458a_100102632555_100000747405 [0,2,0,0,0,0|0,0,2]=4 12845 B12R0.113 CCCCCCC(=O)CC(C)CC 1458a_100000708755_100000210757 [0,2,0,0,0,0|1,0,0]=3 12846 B12R0.113 CCCCCCC(=O)CC(C)CC 1458a_100102632555_100000748023 [0,2,0,0,0,0|1,0,0]=3 12847 B12R0.113 CCCCCCC(=O)CC(O)CC 1458a_100011667805_100000210757 [0,2,0,0,0,0|0,0,0]=2 12848 B12R0.113 CCCCCCC(=O)CC(O)CC 1458a_100102632555_100011218378 [0,2,0,0,0,0|0,0,0]=2 12849 B12R0.113 CCCCCCC(=O)CN(C)CC 1458a_100116209913_100000210757 [0,2,0,0,0,0|2,0,0]=4 12850 B12R0.113 CCCCCCC(=O)C[C@@H](C)CC 1458a_100102632555_100009816398 [0,2,0,0,0,0|1,0,0]=3 12851 B12R0.113 CCCCCCC(=O)C[C@@H](C)CO 1458a_100102632555_100000059175 [0,2,0,0,0,0|2,0,0]=4 12852 B12R0.113 CCCCCCC(=O)NC(C)CC 11a_100000209981_100102632555 [0,2,0,0,0,0|1,0,1]=4 12853 B12R0.113 CCCCCCC(=O)NC(C)CC 1626a_100000209981_100102632555 [0,2,0,0,0,0|1,0,1]=4 12854 B12R0.113 CCCCCCC(=O)NC(C)CC 240690a_100000209981_100102632555 [0,2,0,0,0,0|1,0,1]=4 12855 B12R0.113 CCCCCCC(=O)NC(C)CC 527a_100000209981_100102632555 [0,2,0,0,0,0|1,0,1]=4 12856 B12R0.113 CCCCCCC(C)NC(=O)CC 11a_100000210919_100000210414 [0,2,0,0,0,0|0,0,2]=4 12857 B12R0.113 CCCCCCC(C)NC(=O)CC 1626a_100000210919_100000210414 [0,2,0,0,0,0|0,0,2]=4 12858 B12R0.113 CCCCCCC(C)NC(=O)CC 240690a_100000210919_100000210414 [0,2,0,0,0,0|0,0,2]=4 12859 B12R0.113 CCCCCCC(C)NC(=O)CC 527a_100000210919_100000210414 [0,2,0,0,0,0|0,0,2]=4 12860 B12R0.113 CCCCCCC(C)NC(C)CC 2230a_100000209981_100011215978 [0,2,0,0,0,0|1,0,0]=3 12861 B12R0.113 CCCCCCC(C)NC(C)CC 2230a_100000210919_100000758301 [0,2,0,0,0,0|1,0,0]=3 12862 B12R0.113 CCCCCCC(C)NC(C)CC 270004a_100000209981_100000210826 [0,2,0,0,0,0|1,0,0]=3 12863 B12R0.113 CCCCCCC(C)NC(C)CC 34a_100000210919_100011215416 [0,2,0,0,0,0|1,0,0]=3 12864 B12R0.113 CCCCCCC(C)NC(C)CO 2230a_100000210919_100012180447 [0,2,0,0,0,0|2,0,0]=4 12865 B12R0.113 CCCCCCC(C)NC(C)CO 34a_100000210919_100012180447 [0,2,0,0,0,0|2,0,0]=4 12866 B12R0.113 CCCCCCC(C)N[C@H](C)CF 270004a_100102880703_100000210826 [0,2,0,0,0,0|2,0,0]=4 12867 B12R0.113 CCCCCCC(C)N[C@H](C)CO 2230a_100000737577_100011215978 [0,2,0,0,0,0|2,0,0]=4 12868 B12R0.113 CCCCCCC(C)N[C@H](C)CO 270004a_100000737577_100000210826 [0,2,0,0,0,0|2,0,0]=4 12869 B12R0.113 CCCCCCC(C)OC(C)CC 34a_100000210265_100011215416 [0,2,0,0,0,0|1,0,0]=3 12870 B12R0.113 CCCCCCC(C)OC(C)CC 7a_100000210228_100011215978 [0,2,0,0,0,0|1,0,0]=3 12871 B12R0.113 CCCCCCC(C)OC(C)CC 7a_100000210265_100000758301 [0,2,0,0,0,0|1,0,0]=3 12872 B12R0.113 CCCCCCC(C)OC(C)CF 34a_100016041109_100011215978 [0,2,0,0,0,0|2,0,0]=4 12873 B12R0.113 CCCCCCC(C)OC(C)CF 7a_100016041109_100011215978 [0,2,0,0,0,0|2,0,0]=4 12874 B12R0.113 CCCCCCC(C)OC(C)CN 34a_100000210904_100011215978 [0,2,0,0,0,0|2,0,0]=4 12875 B12R0.113 CCCCCCC(C)OC(C)CO 34a_100000210265_100012180447 [0,2,0,0,0,0|2,0,0]=4 12876 B12R0.113 CCCCCCC(C)OC(C)CO 7a_100000210265_100012180447 [0,2,0,0,0,0|2,0,0]=4 12877 B12R0.113 CCCCCCC(C)SC(C)CC 62a_100000758301_100011215978 [0,2,0,0,0,0|1,0,0]=3 12878 B12R0.113 CCCCCCC(C)SC(C)CC 62a_100011215978_100000758301 [0,2,0,0,0,0|1,0,0]=3 12879 B12R0.113 CCCCCCC(C)SC(C)CO 62a_100012180447_100011215978 [0,2,0,0,0,0|2,0,0]=4 12880 B12R0.113 CCCCCCC(C)SC(C)OC 62a_100009879195_100011215978 [0,2,0,0,0,0|2,0,0]=4 12881 B12R0.113 CCCCCCC(C)SC(C)OC 62a_100011215978_100009879195 [0,2,0,0,0,0|2,0,0]=4 12882 B12R0.113 CCCCCCC(C)S[C@H](C)CO 62a_100011215978_100016084084 [0,2,0,0,0,0|2,0,0]=4 12883 B12R0.113 CCCCCCC(C)S[C@H](C)CO 62a_100016084084_100011215978 [0,2,0,0,0,0|2,0,0]=4 12884 B12R0.113 CCCCCCN(C)CC(=O)CC 269982a_106256046315_100000747405 [0,2,0,0,0,0|0,0,2]=4 12885 B12R0.113 CCCCCCN(C)CC(C)CC 2230a_100000753921_100000210314 [0,2,0,0,0,0|1,0,0]=3 12886 B12R0.113 CCCCCCN(C)CC(C)CC 2230a_106256046315_100000748023 [0,2,0,0,0,0|1,0,0]=3 12887 B12R0.113 CCCCCCN(C)CC(C)CC 269982a_100000753921_100000210757 [0,2,0,0,0,0|1,0,0]=3 12888 B12R0.113 CCCCCCN(C)CC(C)CC 269982a_106256046315_100000748023 [0,2,0,0,0,0|1,0,0]=3 12889 B12R0.113 CCCCCCN(C)CC(C)CC 270004a_106256046315_100000243153 [0,2,0,0,0,0|1,0,0]=3 12890 B12R0.113 CCCCCCN(C)CC(O)CC 2230a_106256046315_100011218378 [0,2,0,0,0,0|0,0,0]=2 12891 B12R0.113 CCCCCCN(C)CC(O)CC 269982a_106256046315_100011218378 [0,2,0,0,0,0|0,0,0]=2 12892 B12R0.113 CCCCCCN(C)CC(O)CO 2230a_100011216503_100000210314 [0,2,0,0,0,0|1,0,0]=3 12893 B12R0.113 CCCCCCN(C)CC(O)CO 2230a_106256046315_100011219619 [0,2,0,0,0,0|1,0,0]=3 12894 B12R0.113 CCCCCCN(C)CC(O)CO 269982a_100011216503_100000210757 [0,2,0,0,0,0|1,0,0]=3 12895 B12R0.113 CCCCCCN(C)C[C@@H](C)CC 2230a_106256046315_100009816398 [0,2,0,0,0,0|1,0,0]=3 12896 B12R0.113 CCCCCCN(C)C[C@@H](C)CC 269982a_106256046315_100009816398 [0,2,0,0,0,0|1,0,0]=3 12897 B12R0.113 CCCCCCN(C)C[C@@H](C)CO 2230a_106256046315_100000059175 [0,2,0,0,0,0|2,0,0]=4 12898 B12R0.113 CCCCCCN(C)C[C@@H](C)CO 269982a_106256046315_100000059175 [0,2,0,0,0,0|2,0,0]=4 12899 B12R0.113 CCCCCCN(C)C[C@@H](O)CF 2230a_106256046315_100015614560 [0,2,0,0,0,0|1,0,0]=3 12900 B12R0.113 CCCCCCN(C)C[C@@H](O)CO 2230a_106256046315_100009815848 [0,2,0,0,0,0|1,0,0]=3 12901 B12R0.113 CCCCCNC(=O)CC(C)CC 11a_100000209983_100000708755 [0,2,0,0,0,0|1,0,1]=4 12902 B12R0.113 CCCCCNC(=O)CC(C)CC 1626a_100000209983_100000708755 [0,2,0,0,0,0|1,0,1]=4 12903 B12R0.113 CCCCCNC(=O)CC(C)CC 240690a_100000209983_100000708755 [0,2,0,0,0,0|1,0,1]=4 12904 B12R0.113 CCCCCNC(=O)CC(C)CC 527a_100000209983_100000708755 [0,2,0,0,0,0|1,0,1]=4 12905 B12R0.113 CCCCCNC(=O)CC(O)CC 1626a_100000209983_100011667805 [0,2,0,0,0,0|0,0,1]=3 12906 B12R0.113 CCCCCNC(=O)CC(O)CC 240690a_100000209983_100011667805 [0,2,0,0,0,0|0,0,1]=3 12907 B12R0.113 CCCCCNC(C)CC(C)CC 2230a_100000763565_100000210326 [0,2,0,0,0,0|1,0,0]=3 12908 B12R0.113 CCCCCNC(C)CC(C)CC 270004a_100000209983_100011710205 [0,2,0,0,0,0|1,0,0]=3 12909 B12R0.113 CCCCNNC(=O)CC(O)CC 22a_100025702795_100011667805 [0,2,0,0,0,0|1,0,1]=4 12910 B12R0.113 CCCCOCC(=O)CC(C)CC 1458a_100000708755_100011995733 [0,2,0,0,0,0|1,0,1]=4 12911 B12R0.113 CCCCOCC(=O)CC(C)CC 1458a_100000757543_100000748023 [0,2,0,0,0,0|1,0,1]=4 12912 B12R0.113 CCCCOCC(=O)CC(O)CC 1458a_100000757543_100011218378 [0,2,0,0,0,0|0,0,1]=3 12913 B12R0.113 CCCCOCC(=O)CC(O)CC 1458a_100011667805_100011995733 [0,2,0,0,0,0|0,0,1]=3 12914 B12R0.113 CCCCOCC(=O)C[C@@H](C)CC 1458a_100000757543_100009816398 [0,2,0,0,0,0|1,0,1]=4 12915 B12R0.113 CCCCOCC(C)OC(C)CC 34a_100011217071_100011215416 [0,2,0,0,0,0|2,0,0]=4 12916 B12R0.113 CCCCOCC(C)OC(C)CC 7a_100011217071_100000758301 [0,2,0,0,0,0|2,0,0]=4 12917 B12R0.113 CCCCOCN(C)CC(C)CC 2230a_100000753921_100011995733 [0,2,0,0,0,0|2,0,0]=4 12918 B12R0.113 CCCCOCN(C)CC(C)CC 269982a_100000753921_100011995733 [0,2,0,0,0,0|2,0,0]=4 12919 B12R0.113 CCCCOCN(C)CC(O)CO 2230a_100011216503_100011995733 [0,2,0,0,0,0|2,0,0]=4 12920 B12R0.113 CCCCOCN(C)CC(O)CO 269982a_100011216503_100011995733 [0,2,0,0,0,0|2,0,0]=4 12921 B12R0.113 CCCCSCC(=O)CC(C)CC 1458a_100000191162_100000748023 [0,2,0,0,0,0|1,0,1]=4 12922 B12R0.113 CCCCSCC(=O)CC(O)CC 1458a_100000191162_100011218378 [0,2,0,0,0,0|0,0,1]=3 12923 B12R0.113 CCCCSCC(=O)C[C@@H](C)CC 1458a_100000191162_100009816398 [0,2,0,0,0,0|1,0,1]=4 12924 B12R0.113 CCCOCCC(=O)CC(C)CC 1458a_100000708755_100011215938 [0,2,0,0,0,0|1,0,1]=4 12925 B12R0.113 CCCOCCC(=O)CC(O)CC 1458a_100011667805_100011215938 [0,2,0,0,0,0|0,0,1]=3 12926 B12R0.113 CCCOCCN(C)CC(C)CC 2230a_100000753921_100011215938 [0,2,0,0,0,0|2,0,0]=4 12927 B12R0.113 CCCOCCN(C)CC(C)CC 269982a_100000753921_100011215938 [0,2,0,0,0,0|2,0,0]=4 12928 B12R0.113 CCCOCCN(C)CC(O)CO 2230a_100011216503_100011215938 [0,2,0,0,0,0|2,0,0]=4 12929 B12R0.113 CCCOCCN(C)CC(O)CO 269982a_100011216503_100011215938 [0,2,0,0,0,0|2,0,0]=4 12930 B12R0.113 CCOCCCC(=O)CC(C)CC 1458a_100000708755_100012232248 [0,2,0,0,0,0|1,0,1]=4 12931 B12R0.113 CCOCCCC(=O)CC(O)CC 1458a_100011667805_100012232248 [0,2,0,0,0,0|0,0,1]=3 12932 B12R0.113 CCOCCCN(C)CC(C)CC 2230a_100000753921_100012232248 [0,2,0,0,0,0|2,0,0]=4 12933 B12R0.113 CCOCCCN(C)CC(C)CC 269982a_100000753921_100012232248 [0,2,0,0,0,0|2,0,0]=4 12934 B12R0.113 CCOCCCN(C)CC(O)CO 2230a_100011216503_100012232248 [0,2,0,0,0,0|2,0,0]=4 12935 B12R0.113 CCOCCCN(C)CC(O)CO 269982a_100011216503_100012232248 [0,2,0,0,0,0|2,0,0]=4 12936 B12R0.113 CCOCCNC(=O)CC(O)CC 1626a_102516460346_100011667805 [0,2,0,0,0,0|1,0,1]=4 12937 B12R0.113 CCOCCNC(=O)CC(O)CC 240690a_100011200944_100011667805 [0,2,0,0,0,0|1,0,1]=4 12938 B12R0.113 CCOCCNC(C)CC(C)CC 2230a_100000763565_100011215890 [0,2,0,0,0,0|2,0,0]=4 12939 B12R0.113 CCOCCNC(C)CC(C)CC 270004a_102516460346_100011710205 [0,2,0,0,0,0|2,0,0]=4 12940 B12R0.113 CCSCCNC(=O)CC(O)CC 1626a_100000106463_100011667805 [0,2,0,0,0,0|1,0,1]=4 12941 B12R0.113 CCSCCNC(=O)CC(O)CC 240690a_100000106463_100011667805 [0,2,0,0,0,0|1,0,1]=4 12942 B12R0.113 CCSCCNC(C)CC(C)CC 2230a_100000763565_100000757381 [0,2,0,0,0,0|2,0,0]=4 12943 B12R0.113 CCSCCNC(C)CC(C)CC 270004a_100000106463_100011710205 [0,2,0,0,0,0|2,0,0]=4 12944 B12R0.113 CC[C@H](C)CC(=O)CCCCCO 1458a_100102619762_100009816398 [0,2,0,0,0,0|1,0,1]=4 12945 B12R0.113 CC[C@H](C)CN(C)CCCCCO 2230a_100000722520_100009816398 [0,2,0,0,0,0|2,0,0]=4 12946 B12R0.113 CC[C@H](C)CN(C)CCCCCO 269982a_100000722520_100009816398 [0,2,0,0,0,0|2,0,0]=4 12947 B12R0.113 CN(CCCCCF)CC(O)CO 2230a_100011216503_100000729378 [0,2,0,0,0,0|2,0,0]=4 12948 B12R0.113 CN(CCCCCF)CC(O)CO 269982a_100011216503_100000729378 [0,2,0,0,0,0|2,0,0]=4 12949 B12R0.113 CN(CCCCCO)CC(O)CO 2230a_100000722520_100011219619 [0,2,0,0,0,0|2,0,0]=4 12950 B12R0.113 CN(CCCCCO)CC(O)CO 2230a_100011216503_100000746330 [0,2,0,0,0,0|2,0,0]=4 12951 B12R0.113 CN(CCCCCO)CC(O)CO 269982a_100011216503_100000746330 [0,2,0,0,0,0|2,0,0]=4 12952 B12R0.113 CN(CCCCCO)C[C@@H](O)CF 2230a_100000722520_100015614560 [0,2,0,0,0,0|2,0,0]=4 12953 B12R0.113 CN(CCCCCO)C[C@@H](O)CO 2230a_100000722520_100009815848 [0,2,0,0,0,0|2,0,0]=4 12954 B12R0.113 COCCCCN(C)CC(O)CO 2230a_100011216503_100000730899 [0,2,0,0,0,0|2,0,0]=4 12955 B12R0.113 COCCCCN(C)CC(O)CO 269982a_100011216503_100000730899 [0,2,0,0,0,0|2,0,0]=4 12956 B12R0.142 C=CC(O)CNC(C)CCCCC 2230a_100000211957_100000730141 [0,2,0,0,0,0|0,0,2]=4 12957 B12R0.142 C=CC(O)COC(C)CCCCC 34a_100011215632_100000730141 [0,2,0,0,0,0|0,0,2]=4 12958 B12R0.142 C=CC(O)COC(C)CCCCC 7a_100011215632_100000730141 [0,2,0,0,0,0|0,0,2]=4 12959 B12R0.142 C=CC(O)CSC(C)CCCCC 62a_100000730141_200011218191 [0,2,0,0,0,0|0,0,2]=4 12960 B12R0.142 C=CC(O)CSC(C)CCCCC 62a_200011218191_100000730141 [0,2,0,0,0,0|0,0,2]=4 12961 B12R0.142 CCC#CCC(C)OCC(O)CC 34a_200000035118_100011218378 [0,2,0,0,0,0|0,0,2]=4 12962 B12R0.142 CCC#CCC(C)OCC(O)CC 7a_200000035118_100011218378 [0,2,0,0,0,0|0,0,2]=4 12963 B12R0.142 CCC(C)CCC(=O)CCCCF 1458a_100000701222_100000729493 [0,2,0,0,0,0|1,0,1]=4 12964 B12R0.142 CCC(C)CCC(=O)CCCCO 1458a_100000701222_100000210776 [0,2,0,0,0,0|1,0,1]=4 12965 B12R0.142 CCC(C)CCC(=O)CCCOC 1458a_100000701222_100000740836 [0,2,0,0,0,0|1,0,1]=4 12966 B12R0.142 CCC(C)CCC(C)OCCCF 7a_200011216552_100011934791 [0,2,0,0,0,0|2,0,0]=4 12967 B12R0.142 CCC(C)CCC(C)OCCCO 7a_200011216552_100011215043 [0,2,0,0,0,0|2,0,0]=4 12968 B12R0.142 CCC(C)CCC(C)OCCOC 7a_200011216552_100000233755 [0,2,0,0,0,0|2,0,0]=4 12969 B12R0.142 CCC(C)CCC(C)OCCSC 7a_200011216552_100000212216 [0,2,0,0,0,0|2,0,0]=4 12970 B12R0.142 CCC(C)CNC(C)CCCSC 270004a_100020588543_100011399439 [0,2,0,0,0,0|2,0,0]=4 12971 B12R0.142 CCC(C)COC(C)CCCOC 34a_200011539412_100000748023 [0,2,0,0,0,0|2,0,0]=4 12972 B12R0.142 CCC(C)COC(C)CCCOC 7a_200011539412_100000748023 [0,2,0,0,0,0|2,0,0]=4 12973 B12R0.142 CCC(C)OC[C@@H](N)CCCCN 34a_100016993712_100011215416 [0,2,0,0,0,0|2,0,0]=4 12974 B12R0.142 CCC(O)CCC(=O)NCCCF 1626a_100015189416_203496584001 [0,2,0,0,0,0|1,0,1]=4 12975 B12R0.142 CCC(O)CCC(=O)NCCCF 240690a_100015189416_203496584001 [0,2,0,0,0,0|1,0,1]=4 12976 B12R0.142 CCC(O)CCC(=O)NCCCO 240690a_100000182051_203496584001 [0,2,0,0,0,0|1,0,1]=4 12977 B12R0.142 CCC(O)CCC(=O)NCCOC 1626a_100000209980_203496584001 [0,2,0,0,0,0|1,0,1]=4 12978 B12R0.142 CCC(O)CCC(=O)NCCOC 240690a_100000209980_203496584001 [0,2,0,0,0,0|1,0,1]=4 12979 B12R0.142 CCC(O)CCC(=O)NCCSC 1626a_100020590264_203496584001 [0,2,0,0,0,0|1,0,1]=4 12980 B12R0.142 CCC(O)CCC(=O)NCCSC 240690a_100020590264_203496584001 [0,2,0,0,0,0|1,0,1]=4 12981 B12R0.142 CCC(O)CNC(=O)CCCOC 11a_100011218483_100000741012 [0,2,0,0,0,0|1,0,1]=4 12982 B12R0.142 CCC(O)CNC(=O)CCCOC 240690a_100011218483_100000741012 [0,2,0,0,0,0|1,0,1]=4 12983 B12R0.142 CCC(O)CNC(=O)CCCOC 527a_100011218483_100000741012 [0,2,0,0,0,0|1,0,1]=4 12984 B12R0.142 CCC(O)CNC(=O)CCCSC 11a_100011218483_100000173376 [0,2,0,0,0,0|1,0,1]=4 12985 B12R0.142 CCC(O)CNC(=O)CCCSC 240690a_100011218483_100000173376 [0,2,0,0,0,0|1,0,1]=4 12986 B12R0.142 CCC(O)CNC(=O)CCCSC 527a_100011218483_100000173376 [0,2,0,0,0,0|1,0,1]=4 12987 B12R0.142 CCC(O)CNC(C)CCCC#N 270004a_100011218483_200000032708 [0,2,0,0,0,0|1,0,1]=4 12988 B12R0.142 CCC(O)CNC(C)CCCSC 270004a_100011218483_100011399439 [0,2,0,0,0,0|1,0,0]=3 12989 B12R0.142 CCC(O)COC(C)CCCOC 34a_200011539412_100011218378 [0,2,0,0,0,0|1,0,0]=3 12990 B12R0.142 CCC(O)COC(C)CCCOC 7a_200011539412_100011218378 [0,2,0,0,0,0|1,0,0]=3 12991 B12R0.142 CCCCCC(=O)CCC(C)CC 1458a_100000701222_100000210326 [0,2,0,0,0,0|1,0,0]=3 12992 B12R0.142 CCCCCC(=O)CCN(C)CC 1458a_100000755305_100000210326 [0,2,0,0,0,0|2,0,0]=4 12993 B12R0.142 CCCCCC(=O)CCS(=O)CC 1458a_100011387550_100000210326 [0,2,0,0,0,0|1,0,1]=4 12994 B12R0.142 CCCCCC(=O)CNC(C)CC 2230a_100000209981_200012276598 [0,2,0,0,0,0|1,0,1]=4 12995 B12R0.142 CCCCCC(=O)COC(C)CC 7a_100000210228_200012276598 [0,2,0,0,0,0|1,0,1]=4 12996 B12R0.142 CCCCCC(=O)CSC(C)CC 62a_100000758301_200012276598 [0,2,0,0,0,0|1,0,1]=4 12997 B12R0.142 CCCCCC(=O)CSC(C)CC 62a_200012276598_100000758301 [0,2,0,0,0,0|1,0,1]=4 12998 B12R0.142 CCCCCC(=O)NCC(C)CC 11a_100020588543_100000212188 [0,2,0,0,0,0|1,0,1]=4 12999 B12R0.142 CCCCCC(=O)NCC(C)CC 1626a_100020588543_100000212188 [0,2,0,0,0,0|1,0,1]=4 13000 B12R0.142 CCCCCC(=O)NCC(C)CC 240690a_100020588543_100000212188 [0,2,0,0,0,0|1,0,1]=4 13001 B12R0.142 CCCCCC(=O)NCC(C)CC 527a_100020588543_100000212188 [0,2,0,0,0,0|1,0,1]=4 13002 B12R0.142 CCCCCC(=O)NCC(O)CC 11a_100011218483_100000212188 [0,2,0,0,0,0|0,0,1]=3 13003 B12R0.142 CCCCCC(=O)NCC(O)CC 240690a_100011218483_100000212188 [0,2,0,0,0,0|0,0,1]=3 13004 B12R0.142 CCCCCC(=O)NCC(O)CC 527a_100011218483_100000212188 [0,2,0,0,0,0|0,0,1]=3 13005 B12R0.142 CCCCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000212188 [0,2,0,0,0,0|1,0,1]=4 13006 B12R0.142 CCCCCC(=O)NC[C@H](O)CO 527a_100020644852_100000212188 [0,2,0,0,0,0|1,0,1]=4 13007 B12R0.142 CCCCCC(C)CCC(=O)CC 1458a_100000034243_100000210202 [0,2,0,0,0,0|0,0,2]=4 13008 B12R0.142 CCCCCC(C)NCC(C)CC 2230a_100000211957_100000748023 [0,2,0,0,0,0|1,0,0]=3 13009 B12R0.142 CCCCCC(C)NCC(C)CC 2230a_100020588543_200011218191 [0,2,0,0,0,0|1,0,0]=3 13010 B12R0.142 CCCCCC(C)NCC(C)CC 270004a_100000211957_100000243153 [0,2,0,0,0,0|1,0,0]=3 13011 B12R0.142 CCCCCC(C)NCC(C)CC 270004a_100020588543_100000211708 [0,2,0,0,0,0|1,0,0]=3 13012 B12R0.142 CCCCCC(C)NCC(C)CO 34a_100000744482_200011218191 [0,2,0,0,0,0|2,0,0]=4 13013 B12R0.142 CCCCCC(C)NCC(O)CC 2230a_100000211957_100011218378 [0,2,0,0,0,0|0,0,0]=2 13014 B12R0.142 CCCCCC(C)NCC(O)CC 2230a_100011218483_200011218191 [0,2,0,0,0,0|0,0,0]=2 13015 B12R0.142 CCCCCC(C)NCC(O)CC 270004a_100011218483_100000211708 [0,2,0,0,0,0|0,0,0]=2 13016 B12R0.142 CCCCCC(C)NCC(O)CO 2230a_100000211957_100011219619 [0,2,0,0,0,0|1,0,0]=3 13017 B12R0.142 CCCCCC(C)NC[C@@H](C)CC 2230a_100000211957_100009816398 [0,2,0,0,0,0|1,0,0]=3 13018 B12R0.142 CCCCCC(C)NC[C@@H](C)CO 2230a_100000211957_100000059175 [0,2,0,0,0,0|2,0,0]=4 13019 B12R0.142 CCCCCC(C)NC[C@@H](C)OC 2230a_100020591295_200011218191 [0,2,0,0,0,0|2,0,0]=4 13020 B12R0.142 CCCCCC(C)NC[C@@H](C)OC 270004a_100020591295_100000211708 [0,2,0,0,0,0|2,0,0]=4 13021 B12R0.142 CCCCCC(C)NC[C@@H](F)CO 270004a_100015665980_100000211708 [0,2,0,0,0,0|2,0,0]=4 13022 B12R0.142 CCCCCC(C)NC[C@@H](F)CO 34a_100015665980_200011218191 [0,2,0,0,0,0|2,0,0]=4 13023 B12R0.142 CCCCCC(C)NC[C@@H](O)CF 2230a_100000211957_100015614560 [0,2,0,0,0,0|1,0,0]=3 13024 B12R0.142 CCCCCC(C)NC[C@@H](O)CO 2230a_100000211957_100009815848 [0,2,0,0,0,0|1,0,0]=3 13025 B12R0.142 CCCCCC(C)NC[C@H](O)CO 2230a_100020644852_200011218191 [0,2,0,0,0,0|1,0,0]=3 13026 B12R0.142 CCCCCC(C)OCC(=O)CC 34a_100000725409_200011218191 [0,2,0,0,0,0|0,0,2]=4 13027 B12R0.142 CCCCCC(C)OCC(=O)CC 7a_100011215632_100000747405 [0,2,0,0,0,0|0,0,2]=4 13028 B12R0.142 CCCCCC(C)OCC(C)CC 34a_100011215632_100000748023 [0,2,0,0,0,0|1,0,0]=3 13029 B12R0.142 CCCCCC(C)OCC(C)CC 7a_100011215632_100000748023 [0,2,0,0,0,0|1,0,0]=3 13030 B12R0.142 CCCCCC(C)OCC(C)CN 34a_100000744482_200011218191 [0,2,0,0,0,0|2,0,0]=4 13031 B12R0.142 CCCCCC(C)OCC(C)OC 34a_100000690652_200011218191 [0,2,0,0,0,0|2,0,0]=4 13032 B12R0.142 CCCCCC(C)OCC(Cl)CCl 34a_100000033668_200011218191 [0,2,0,0,0,0|2,0,0]=4 13033 B12R0.142 CCCCCC(C)OCC(O)CC 34a_100011215632_100011218378 [0,2,0,0,0,0|0,0,0]=2 13034 B12R0.142 CCCCCC(C)OCC(O)CC 7a_100011215632_100011218378 [0,2,0,0,0,0|0,0,0]=2 13035 B12R0.142 CCCCCC(C)OCC(O)CO 34a_100011215632_100011219619 [0,2,0,0,0,0|1,0,0]=3 13036 B12R0.142 CCCCCC(C)OCC(O)CO 7a_100011215632_100011219619 [0,2,0,0,0,0|1,0,0]=3 13037 B12R0.142 CCCCCC(C)OC[C@@H](C)CC 34a_100011215632_100009816398 [0,2,0,0,0,0|1,0,0]=3 13038 B12R0.142 CCCCCC(C)OC[C@@H](C)CC 7a_100009816381_200011218191 [0,2,0,0,0,0|1,0,0]=3 13039 B12R0.142 CCCCCC(C)OC[C@@H](C)CC 7a_100011215632_100009816398 [0,2,0,0,0,0|1,0,0]=3 13040 B12R0.142 CCCCCC(C)OC[C@@H](C)CO 34a_100011215632_100000059175 [0,2,0,0,0,0|2,0,0]=4 13041 B12R0.142 CCCCCC(C)OC[C@@H](C)CO 7a_100011215632_100000059175 [0,2,0,0,0,0|2,0,0]=4 13042 B12R0.142 CCCCCC(C)OC[C@@H](O)CF 34a_100011215632_100015614560 [0,2,0,0,0,0|1,0,0]=3 13043 B12R0.142 CCCCCC(C)OC[C@@H](O)CF 7a_100011215632_100015614560 [0,2,0,0,0,0|1,0,0]=3 13044 B12R0.142 CCCCCC(C)OC[C@@H](O)CO 34a_100011215632_100009815848 [0,2,0,0,0,0|1,0,0]=3 13045 B12R0.142 CCCCCC(C)OC[C@@H](O)CO 7a_100011215632_100009815848 [0,2,0,0,0,0|1,0,0]=3 13046 B12R0.142 CCCCCC(C)OC[C@H](F)CN 34a_100015665980_200011218191 [0,2,0,0,0,0|2,0,0]=4 13047 B12R0.142 CCCCCC(C)SCC(=O)CC 62a_100000747405_200011218191 [0,2,0,0,0,0|0,0,2]=4 13048 B12R0.142 CCCCCC(C)SCC(=O)CC 62a_200011218191_100000747405 [0,2,0,0,0,0|0,0,2]=4 13049 B12R0.142 CCCCCC(C)SCC(C)CC 62a_100000748023_200011218191 [0,2,0,0,0,0|1,0,0]=3 13050 B12R0.142 CCCCCC(C)SCC(C)CC 62a_200011218191_100000748023 [0,2,0,0,0,0|1,0,0]=3 13051 B12R0.142 CCCCCC(C)SCC(O)CC 62a_100011218378_200011218191 [0,2,0,0,0,0|0,0,0]=2 13052 B12R0.142 CCCCCC(C)SCC(O)CC 62a_200011218191_100011218378 [0,2,0,0,0,0|0,0,0]=2 13053 B12R0.142 CCCCCC(C)SCC(O)CO 62a_100011219619_200011218191 [0,2,0,0,0,0|1,0,0]=3 13054 B12R0.142 CCCCCC(C)SCC(O)CO 62a_200011218191_100011219619 [0,2,0,0,0,0|1,0,0]=3 13055 B12R0.142 CCCCCC(C)SC[C@@H](C)CC 62a_100009816398_200011218191 [0,2,0,0,0,0|1,0,0]=3 13056 B12R0.142 CCCCCC(C)SC[C@@H](C)CC 62a_200011218191_100009816398 [0,2,0,0,0,0|1,0,0]=3 13057 B12R0.142 CCCCCC(C)SC[C@@H](C)CO 62a_100000059175_200011218191 [0,2,0,0,0,0|2,0,0]=4 13058 B12R0.142 CCCCCC(C)SC[C@@H](C)CO 62a_200011218191_100000059175 [0,2,0,0,0,0|2,0,0]=4 13059 B12R0.142 CCCCCC(C)SC[C@@H](O)CF 62a_100015614560_200011218191 [0,2,0,0,0,0|1,0,0]=3 13060 B12R0.142 CCCCCC(C)SC[C@@H](O)CF 62a_200011218191_100015614560 [0,2,0,0,0,0|1,0,0]=3 13061 B12R0.142 CCCCCC(C)SC[C@@H](O)CO 62a_100009815848_200011218191 [0,2,0,0,0,0|1,0,0]=3 13062 B12R0.142 CCCCCC(C)SC[C@@H](O)CO 62a_200011218191_100009815848 [0,2,0,0,0,0|1,0,0]=3 13063 B12R0.142 CCCCCN(C)CCC(=O)CC 1458a_100016987678_100000210202 [0,2,0,0,0,0|0,0,2]=4 13064 B12R0.142 CCCCNC(=O)CCC(C)CC 11a_100000102301_100000701222 [0,2,0,0,0,0|1,0,1]=4 13065 B12R0.142 CCCCNC(=O)CCC(C)CC 1626a_100000102301_100000701222 [0,2,0,0,0,0|1,0,1]=4 13066 B12R0.142 CCCCNC(=O)CCC(C)CC 240690a_100000102301_100000701222 [0,2,0,0,0,0|1,0,1]=4 13067 B12R0.142 CCCCNC(=O)CCC(C)CC 527a_100000102301_100000701222 [0,2,0,0,0,0|1,0,1]=4 13068 B12R0.142 CCCCNC(=O)CCC(O)CC 1626a_100000102301_203496584001 [0,2,0,0,0,0|0,0,1]=3 13069 B12R0.142 CCCCNC(=O)CCC(O)CC 240690a_100000102301_203496584001 [0,2,0,0,0,0|0,0,1]=3 13070 B12R0.142 CCCCNC(=O)NCC(O)CC 2708a_100000102301_100011218483 [0,2,0,0,0,0|1,0,1]=4 13071 B12R0.142 CCCCNC(=O)NCC(O)CC 273464a_100000102301_100011218483 [0,2,0,0,0,0|1,0,1]=4 13072 B12R0.142 CCCCNC(=O)NCC(O)CC 273464a_100011218483_100000102301 [0,2,0,0,0,0|1,0,1]=4 13073 B12R0.142 CCCCNC(=O)NCC(O)CC 512a_100011218483_100000102301 [0,2,0,0,0,0|1,0,1]=4 13074 B12R0.142 CCCCOC(C)CCC(C)CC 7a_200011216552_100000210211 [0,2,0,0,0,0|1,0,0]=3 13075 B12R0.142 CCCNNC(=O)CCC(O)CC 22a_100000740057_203496584001 [0,2,0,0,0,0|1,0,1]=4 13076 B12R0.142 CCCOCC(=O)NCC(O)CC 11a_100011218483_100000745993 [0,2,0,0,0,0|1,0,1]=4 13077 B12R0.142 CCCOCC(=O)NCC(O)CC 240690a_100011218483_100000745993 [0,2,0,0,0,0|1,0,1]=4 13078 B12R0.142 CCCOCC(=O)NCC(O)CC 527a_100011218483_100000745993 [0,2,0,0,0,0|1,0,1]=4 13079 B12R0.142 CCCSCC(=O)NCC(O)CC 11a_100011218483_100000217233 [0,2,0,0,0,0|1,0,1]=4 13080 B12R0.142 CCCSCC(=O)NCC(O)CC 240690a_100011218483_100000217233 [0,2,0,0,0,0|1,0,1]=4 13081 B12R0.142 CCCSCC(=O)NCC(O)CC 527a_100011218483_100000217233 [0,2,0,0,0,0|1,0,1]=4 13082 B12R0.142 CCCSCC(C)NCC(C)CC 270004a_100020588543_100011343953 [0,2,0,0,0,0|2,0,0]=4 13083 B12R0.142 CCCSCC(C)NCC(O)CC 270004a_100011218483_100011343953 [0,2,0,0,0,0|1,0,0]=3 13084 B12R0.142 CCOCCC(=O)CCC(C)CC 1458a_100000701222_100011215890 [0,2,0,0,0,0|1,0,1]=4 13085 B12R0.142 CCOCCC(=O)NCC(O)CC 11a_100011218483_100000749530 [0,2,0,0,0,0|1,0,1]=4 13086 B12R0.142 CCOCCC(=O)NCC(O)CC 240690a_100011218483_100000749530 [0,2,0,0,0,0|1,0,1]=4 13087 B12R0.142 CCOCCC(=O)NCC(O)CC 527a_100011218483_100000749530 [0,2,0,0,0,0|1,0,1]=4 13088 B12R0.142 CCOCCC(C)NCC(C)CC 270004a_100020588543_200011216536 [0,2,0,0,0,0|2,0,0]=4 13089 B12R0.142 CCOCCC(C)NCC(O)CC 270004a_100011218483_200011216536 [0,2,0,0,0,0|1,0,0]=3 13090 B12R0.142 CCSCCC(=O)CCC(C)CC 1458a_100000701222_100000757381 [0,2,0,0,0,0|1,0,1]=4 13091 B12R0.142 CCSCCC(=O)NCC(O)CC 11a_100011218483_100000230768 [0,2,0,0,0,0|1,0,1]=4 13092 B12R0.142 CCSCCC(=O)NCC(O)CC 240690a_100011218483_100000230768 [0,2,0,0,0,0|1,0,1]=4 13093 B12R0.142 CCSCCC(=O)NCC(O)CC 527a_100011218483_100000230768 [0,2,0,0,0,0|1,0,1]=4 13094 B12R0.142 CC[C@H](C)COC(C)CCCOC 34a_200011539412_100009816398 [0,2,0,0,0,0|2,0,0]=4 13095 B12R0.142 CC[C@H](C)COC(C)CCCOC 7a_200011539412_100009816398 [0,2,0,0,0,0|2,0,0]=4 13096 B12R0.142 COCCCC(C)OCC(O)CO 34a_200011539412_100011219619 [0,2,0,0,0,0|2,0,0]=4 13097 B12R0.142 COCCCC(C)OCC(O)CO 7a_200011539412_100011219619 [0,2,0,0,0,0|2,0,0]=4 13098 B12R0.142 COCCCC(C)OC[C@@H](O)CF 34a_200011539412_100015614560 [0,2,0,0,0,0|2,0,0]=4 13099 B12R0.142 COCCCC(C)OC[C@@H](O)CF 7a_200011539412_100015614560 [0,2,0,0,0,0|2,0,0]=4 13100 B12R0.142 COCCCC(C)OC[C@@H](O)CO 34a_200011539412_100009815848 [0,2,0,0,0,0|2,0,0]=4 13101 B12R0.142 COCCCC(C)OC[C@@H](O)CO 7a_200011539412_100009815848 [0,2,0,0,0,0|2,0,0]=4 13102 B12R0.183 C#CC(O)CCCCCC(=O)CC 1458a_100000210414_200010408556 [0,2,0,0,0,0|0,0,2]=4 13103 B12R0.183 C#CC(O)CCCCCN(C)CC 2230a_100000225621_200010408556 [0,2,0,0,0,0|0,0,2]=4 13104 B12R0.183 C#CC(O)CCCCCN(C)CC 269982a_100000225621_200010408556 [0,2,0,0,0,0|0,0,2]=4 13105 B12R0.183 C=CC(O)COCCCC(C)CC 7a_100011216074_100000730141 [0,2,0,0,0,0|0,0,2]=4 13106 B12R0.183 CCC(=O)COCCCC(C)CC 7a_100011216074_100000747405 [0,2,0,0,0,0|0,0,2]=4 13107 B12R0.183 CCC(=O)NCCNCC(O)CC 34a_100132302217_100011218378 [0,2,0,0,0,0|1,0,1]=4 13108 B12R0.183 CCC(=O)NCCOCC(O)CC 34a_200000158885_100011218378 [0,2,0,0,0,0|1,0,1]=4 13109 B12R0.183 CCC(=O)NCCOCC(O)CC 7a_200000158885_100011218378 [0,2,0,0,0,0|1,0,1]=4 13110 B12R0.183 CCC(=O)OCCOCC(O)CC 7a_200000031056_100011218378 [0,2,0,0,0,0|1,0,1]=4 13111 B12R0.183 CCC(C)CCCOCC(C)CC 7a_100011216074_100000748023 [0,2,0,0,0,0|1,0,0]=3 13112 B12R0.183 CCC(C)CCCOCC(O)CC 7a_100011216074_100011218378 [0,2,0,0,0,0|0,0,0]=2 13113 B12R0.183 CCC(C)CCCOCC(O)CO 7a_100011216074_100011219619 [0,2,0,0,0,0|1,0,0]=3 13114 B12R0.183 CCC(C)CCCOC[C@@H](C)CC 7a_100011216074_100009816398 [0,2,0,0,0,0|1,0,0]=3 13115 B12R0.183 CCC(C)CCCOC[C@@H](C)CO 7a_100011216074_100000059175 [0,2,0,0,0,0|2,0,0]=4 13116 B12R0.183 CCC(C)CCCOC[C@@H](O)CF 7a_100011216074_100015614560 [0,2,0,0,0,0|1,0,0]=3 13117 B12R0.183 CCC(C)CCCOC[C@@H](O)CO 7a_100011216074_100009815848 [0,2,0,0,0,0|1,0,0]=3 13118 B12R0.183 CCC(C)CNCCCN(C)CC 2230a_100020588543_100015186262 [0,2,0,0,0,0|2,0,0]=4 13119 B12R0.183 CCC(C)COCCC[C@@H](C)CN 34a_100160569302_100000748023 [0,2,0,0,0,0|2,0,0]=4 13120 B12R0.183 CCC(C)CSCCCN(C)CC 62a_100000748023_100015186262 [0,2,0,0,0,0|2,0,0]=4 13121 B12R0.183 CCC(O)CNCCCC(=O)NC 2230a_100000740002_100011218378 [0,2,0,0,0,0|1,0,1]=4 13122 B12R0.183 CCC(O)CNCCCC(=O)NC 2230a_100011218483_100000741757 [0,2,0,0,0,0|1,0,1]=4 13123 B12R0.183 CCC(O)CNCCCC(=O)NC 34a_100000740002_100011218378 [0,2,0,0,0,0|1,0,1]=4 13124 B12R0.183 CCC(O)CNCCCC(=O)OC 2230a_100011218483_100011218270 [0,2,0,0,0,0|1,0,1]=4 13125 B12R0.183 CCC(O)CNCCCN(C)CC 2230a_100011218483_100015186262 [0,2,0,0,0,0|1,0,0]=3 13126 B12R0.183 CCC(O)COCCC[C@@H](C)CN 34a_100160569302_100011218378 [0,2,0,0,0,0|1,0,0]=3 13127 B12R0.183 CCC(O)CSCCCC(=O)NC 62a_100000741757_100011218378 [0,2,0,0,0,0|1,0,1]=4 13128 B12R0.183 CCC(O)CSCCCC(=O)NC 62a_100011218378_100000741757 [0,2,0,0,0,0|1,0,1]=4 13129 B12R0.183 CCC(O)CSCCCC(=O)OC 62a_100011218270_100011218378 [0,2,0,0,0,0|1,0,1]=4 13130 B12R0.183 CCC(O)CSCCCC(=O)OC 62a_100011218378_100011218270 [0,2,0,0,0,0|1,0,1]=4 13131 B12R0.183 CCC(O)CSCCCN(C)CC 62a_100011218378_100015186262 [0,2,0,0,0,0|1,0,0]=3 13132 B12R0.183 CCN(C)CCCNC[C@H](O)CO 2230a_100020644852_100015186262 [0,2,0,0,0,0|2,0,0]=4 13133 B12R0.183 CCN(C)CCCSCC(O)CO 62a_100011219619_100015186262 [0,2,0,0,0,0|2,0,0]=4 13134 B12R0.183 CCN(C)CCCSC[C@@H](O)CF 62a_100015614560_100015186262 [0,2,0,0,0,0|2,0,0]=4 13135 B12R0.183 CCN(C)CCCSC[C@@H](O)CO 62a_100009815848_100015186262 [0,2,0,0,0,0|2,0,0]=4 13136 B12R0.183 CC[C@H](C)COCCCN(C)CC 7a_100009816381_100015186262 [0,2,0,0,0,0|2,0,0]=4 13137 B12R0.183 CC[C@H](C)COCCC[C@@H](C)CN 34a_100160569302_100009816398 [0,2,0,0,0,0|2,0,0]=4 13138 B12R0.183 CC[C@H](C)CSCCCN(C)CC 62a_100009816398_100015186262 [0,2,0,0,0,0|2,0,0]=4 13139 B12R0.183 C[C@@H](CN)CCCOCC(O)CO 34a_100160569302_100011219619 [0,2,0,0,0,0|2,0,0]=4 13140 B12R0.183 C[C@@H](CN)CCCOC[C@@H](O)CF 34a_100160569302_100015614560 [0,2,0,0,0,0|2,0,0]=4 13141 B12R0.183 C[C@@H](CN)CCCOC[C@@H](O)CO 34a_100160569302_100009815848 [0,2,0,0,0,0|2,0,0]=4 13142 B12R0.184 C#CC(O)CCCCCNC(C)C 2230a_100138425928_200010408556 [0,2,0,0,0,0|0,0,2]=4 13143 B12R0.184 C#CC(O)CCCCCNC(C)C 34a_100138425928_200010408556 [0,2,0,0,0,0|0,0,2]=4 13144 B12R0.184 C#CC(O)CCCCCOC(C)C 34a_100000212225_200010408556 [0,2,0,0,0,0|0,0,2]=4 13145 B12R0.184 C#CC(O)CCCCCSC(C)C 62a_100000210206_200010408556 [0,2,0,0,0,0|0,0,2]=4 13146 B12R0.184 C#CC(O)CCCCCSC(C)C 62a_200010408556_100000210206 [0,2,0,0,0,0|0,0,2]=4 13147 B12R0.184 C=C(C)CCOCCCC(C)CC 7a_100011216074_100000730704 [0,2,0,0,0,0|1,0,1]=4 13148 B12R0.184 C=CC(O)COCCCCC(C)C 34a_100011214890_100000730141 [0,2,0,0,0,0|0,0,2]=4 13149 B12R0.184 C=CC(O)COCCCCC(C)C 7a_100011214890_100000730141 [0,2,0,0,0,0|0,0,2]=4 13150 B12R0.184 C=CC(O)CSCCCCC(C)C 62a_100000730141_100011216152 [0,2,0,0,0,0|0,0,2]=4 13151 B12R0.184 C=CC(O)CSCCCCC(C)C 62a_100011216152_100000730141 [0,2,0,0,0,0|0,0,2]=4 13152 B12R0.184 CC(=O)CCCCSCC(O)CO 62a_100000735457_100011219619 [0,2,0,0,0,0|1,0,1]=4 13153 B12R0.184 CC(=O)CCCCSCC(O)CO 62a_100011219619_100000735457 [0,2,0,0,0,0|1,0,1]=4 13154 B12R0.184 CC(=O)CCCCSC[C@@H](O)CF 62a_100000735457_100015614560 [0,2,0,0,0,0|1,0,1]=4 13155 B12R0.184 CC(=O)CCCCSC[C@@H](O)CF 62a_100015614560_100000735457 [0,2,0,0,0,0|1,0,1]=4 13156 B12R0.184 CC(=O)CCCCSC[C@@H](O)CO 62a_100000735457_100009815848 [0,2,0,0,0,0|1,0,1]=4 13157 B12R0.184 CC(=O)CCCCSC[C@@H](O)CO 62a_100009815848_100000735457 [0,2,0,0,0,0|1,0,1]=4 13158 B12R0.184 CC(C)CCCCCNC(C)CO 2230a_100011290863_100012180447 [0,2,0,0,0,0|2,0,0]=4 13159 B12R0.184 CC(C)CCCCCNC(C)CO 34a_100011290863_100012180447 [0,2,0,0,0,0|2,0,0]=4 13160 B12R0.184 CC(C)CCCCCN[C@H](C)CO 2230a_100000737577_100000210682 [0,2,0,0,0,0|2,0,0]=4 13161 B12R0.184 CC(C)CCCCCOC(C)CF 34a_100016041109_100000210682 [0,2,0,0,0,0|2,0,0]=4 13162 B12R0.184 CC(C)CCCCCOC(C)CF 7a_100016041109_100000210682 [0,2,0,0,0,0|2,0,0]=4 13163 B12R0.184 CC(C)CCCCCOC(C)CN 34a_100000210904_100000210682 [0,2,0,0,0,0|2,0,0]=4 13164 B12R0.184 CC(C)CCCCCOC(C)CO 34a_100011995859_100012180447 [0,2,0,0,0,0|2,0,0]=4 13165 B12R0.184 CC(C)CCCCCOC(C)CO 7a_100011995859_100012180447 [0,2,0,0,0,0|2,0,0]=4 13166 B12R0.184 CC(C)CCCCCSC(C)CO 62a_100012180447_100000210682 [0,2,0,0,0,0|2,0,0]=4 13167 B12R0.184 CC(C)CCCCCS[C@H](C)CO 62a_100000210682_100016084084 [0,2,0,0,0,0|2,0,0]=4 13168 B12R0.184 CC(C)CCCCCS[C@H](C)CO 62a_100016084084_100000210682 [0,2,0,0,0,0|2,0,0]=4 13169 B12R0.184 CC(C)CCCCNCC(C)CO 34a_100000744482_100011216152 [0,2,0,0,0,0|2,0,0]=4 13170 B12R0.184 CC(C)CCCCNC[C@@H](F)CO 34a_100015665980_100011216152 [0,2,0,0,0,0|2,0,0]=4 13171 B12R0.184 CC(C)CCCCNC[C@H](O)CO 2230a_100020644852_100011216152 [0,2,0,0,0,0|1,0,0]=3 13172 B12R0.184 CC(C)CCCCOCC(C)CN 34a_100000744482_100011216152 [0,2,0,0,0,0|2,0,0]=4 13173 B12R0.184 CC(C)CCCCOCC(Cl)CCl 34a_100000033668_100011216152 [0,2,0,0,0,0|2,0,0]=4 13174 B12R0.184 CC(C)CCCCOCC(O)CO 34a_100011214890_100011219619 [0,2,0,0,0,0|1,0,0]=3 13175 B12R0.184 CC(C)CCCCOCC(O)CO 7a_100011214890_100011219619 [0,2,0,0,0,0|1,0,0]=3 13176 B12R0.184 CC(C)CCCCOC[C@@H](C)CO 34a_100011214890_100000059175 [0,2,0,0,0,0|2,0,0]=4 13177 B12R0.184 CC(C)CCCCOC[C@@H](C)CO 7a_100011214890_100000059175 [0,2,0,0,0,0|2,0,0]=4 13178 B12R0.184 CC(C)CCCCOC[C@@H](O)CF 34a_100011214890_100015614560 [0,2,0,0,0,0|1,0,0]=3 13179 B12R0.184 CC(C)CCCCOC[C@@H](O)CF 7a_100011214890_100015614560 [0,2,0,0,0,0|1,0,0]=3 13180 B12R0.184 CC(C)CCCCOC[C@@H](O)CO 34a_100011214890_100009815848 [0,2,0,0,0,0|1,0,0]=3 13181 B12R0.184 CC(C)CCCCOC[C@@H](O)CO 7a_100011214890_100009815848 [0,2,0,0,0,0|1,0,0]=3 13182 B12R0.184 CC(C)CCCCOC[C@H](F)CN 34a_100015665980_100011216152 [0,2,0,0,0,0|2,0,0]=4 13183 B12R0.184 CC(C)CCCCSCC(O)CO 62a_100011216152_100011219619 [0,2,0,0,0,0|1,0,0]=3 13184 B12R0.184 CC(C)CCCCSCC(O)CO 62a_100011219619_100011216152 [0,2,0,0,0,0|1,0,0]=3 13185 B12R0.184 CC(C)CCCCSC[C@@H](C)CO 62a_100000059175_100011216152 [0,2,0,0,0,0|2,0,0]=4 13186 B12R0.184 CC(C)CCCCSC[C@@H](C)CO 62a_100011216152_100000059175 [0,2,0,0,0,0|2,0,0]=4 13187 B12R0.184 CC(C)CCCCSC[C@@H](O)CF 62a_100011216152_100015614560 [0,2,0,0,0,0|1,0,0]=3 13188 B12R0.184 CC(C)CCCCSC[C@@H](O)CF 62a_100015614560_100011216152 [0,2,0,0,0,0|1,0,0]=3 13189 B12R0.184 CC(C)CCCCSC[C@@H](O)CO 62a_100009815848_100011216152 [0,2,0,0,0,0|1,0,0]=3 13190 B12R0.184 CC(C)CCCCSC[C@@H](O)CO 62a_100011216152_100009815848 [0,2,0,0,0,0|1,0,0]=3 13191 B12R0.184 CC(C)CCCNCCC(C)CO 2230a_106354213184_100011214892 [0,2,0,0,0,0|2,0,0]=4 13192 B12R0.184 CC(C)CCCNCCC(C)CO 34a_106354213184_100011214892 [0,2,0,0,0,0|2,0,0]=4 13193 B12R0.184 CC(C)CCOCCC[C@@H](C)CN 34a_100160569302_100000210312 [0,2,0,0,0,0|2,0,0]=4 13194 B12R0.184 CC(C)CNCCOCC(O)CO 34a_100015185251_100011219619 [0,2,0,0,0,0|2,0,0]=4 13195 B12R0.184 CC(C)CNCCOC[C@@H](O)CF 34a_100015185251_100015614560 [0,2,0,0,0,0|2,0,0]=4 13196 B12R0.184 CC(C)CNCCOC[C@@H](O)CO 34a_100015185251_100009815848 [0,2,0,0,0,0|2,0,0]=4 13197 B12R0.184 CC(C)COCCOCC(O)CO 34a_100000703358_100011219619 [0,2,0,0,0,0|2,0,0]=4 13198 B12R0.184 CC(C)COCCOCC(O)CO 7a_100000703358_100011219619 [0,2,0,0,0,0|2,0,0]=4 13199 B12R0.184 CC(C)COCCOC[C@@H](O)CF 34a_100000703358_100015614560 [0,2,0,0,0,0|2,0,0]=4 13200 B12R0.184 CC(C)COCCOC[C@@H](O)CF 7a_100000703358_100015614560 [0,2,0,0,0,0|2,0,0]=4 13201 B12R0.184 CC(C)COCCOC[C@@H](O)CO 34a_100000703358_100009815848 [0,2,0,0,0,0|2,0,0]=4 13202 B12R0.184 CC(C)COCCOC[C@@H](O)CO 7a_100000703358_100009815848 [0,2,0,0,0,0|2,0,0]=4 13203 B12R0.184 CC(C)CSCCOCC(O)CO 34a_200000230437_100011219619 [0,2,0,0,0,0|2,0,0]=4 13204 B12R0.184 CC(C)CSCCOCC(O)CO 7a_200000230437_100011219619 [0,2,0,0,0,0|2,0,0]=4 13205 B12R0.184 CC(C)CSCCOC[C@@H](O)CF 34a_200000230437_100015614560 [0,2,0,0,0,0|2,0,0]=4 13206 B12R0.184 CC(C)CSCCOC[C@@H](O)CF 7a_200000230437_100015614560 [0,2,0,0,0,0|2,0,0]=4 13207 B12R0.184 CC(C)CSCCOC[C@@H](O)CO 34a_200000230437_100009815848 [0,2,0,0,0,0|2,0,0]=4 13208 B12R0.184 CC(C)CSCCOC[C@@H](O)CO 7a_200000230437_100009815848 [0,2,0,0,0,0|2,0,0]=4 13209 B12R0.184 CC(C)NCCCOCC(O)CO 34a_100000182298_100011219619 [0,2,0,0,0,0|2,0,0]=4 13210 B12R0.184 CC(C)NCCCOC[C@@H](O)CF 34a_100000182298_100015614560 [0,2,0,0,0,0|2,0,0]=4 13211 B12R0.184 CC(C)NCCCOC[C@@H](O)CO 34a_100000182298_100009815848 [0,2,0,0,0,0|2,0,0]=4 13212 B12R0.184 CC(C)OCCCNCC(O)CO 2230a_100000737246_100011219619 [0,2,0,0,0,0|2,0,0]=4 13213 B12R0.184 CC(C)OCCCNCC(O)CO 34a_100000737246_100011219619 [0,2,0,0,0,0|2,0,0]=4 13214 B12R0.184 CC(C)OCCCNC[C@@H](O)CF 2230a_100000737246_100015614560 [0,2,0,0,0,0|2,0,0]=4 13215 B12R0.184 CC(C)OCCCNC[C@@H](O)CF 34a_100000737246_100015614560 [0,2,0,0,0,0|2,0,0]=4 13216 B12R0.184 CC(C)OCCCNC[C@@H](O)CO 2230a_100000737246_100009815848 [0,2,0,0,0,0|2,0,0]=4 13217 B12R0.184 CC(C)OCCCNC[C@@H](O)CO 34a_100000737246_100009815848 [0,2,0,0,0,0|2,0,0]=4 13218 B12R0.184 CC(O)CCCNCCC(C)CO 2230a_106354213184_200000718107 [0,2,0,0,0,0|2,0,0]=4 13219 B12R0.184 CC(O)CCCNCCC(C)CO 34a_106354213184_200000718107 [0,2,0,0,0,0|2,0,0]=4 13220 B12R0.184 CC(O)CCOCCC[C@@H](C)CN 34a_100160569302_100012276601 [0,2,0,0,0,0|2,0,0]=4 13221 B12R0.184 CCC(=O)CCCCCCC(C)C 1458a_100000040743_100000210202 [0,2,0,0,0,0|0,0,2]=4 13222 B12R0.184 CCC(=O)COCCCCC(C)C 34a_100000725409_100011216152 [0,2,0,0,0,0|0,0,2]=4 13223 B12R0.184 CCC(=O)COCCCCC(C)C 7a_100011214890_100000747405 [0,2,0,0,0,0|0,0,2]=4 13224 B12R0.184 CCC(=O)CSCCCCC(C)C 62a_100000747405_100011216152 [0,2,0,0,0,0|0,0,2]=4 13225 B12R0.184 CCC(=O)CSCCCCC(C)C 62a_100011216152_100000747405 [0,2,0,0,0,0|0,0,2]=4 13226 B12R0.184 CCC(=O)NCCCCCC(C)C 1626a_100011290863_100000210414 [0,2,0,0,0,0|0,0,2]=4 13227 B12R0.184 CCC(=O)NCCCCCC(C)C 240690a_100011290863_100000210414 [0,2,0,0,0,0|0,0,2]=4 13228 B12R0.184 CCC(=O)NCCCCCC(C)C 527a_100011290863_100000210414 [0,2,0,0,0,0|0,0,2]=4 13229 B12R0.184 CCC(C)CCCCCOC(C)C 7a_200000035636_100000210206 [0,2,0,0,0,0|1,0,0]=3 13230 B12R0.184 CCC(C)CCCOCCC(=O)C 7a_100011216074_100000053229 [0,2,0,0,0,0|1,0,1]=4 13231 B12R0.184 CCC(C)CCCOCCC(C)C 7a_100011216074_100000210626 [0,2,0,0,0,0|1,0,0]=3 13232 B12R0.184 CCC(C)CCCOCCC(C)O 7a_100011216074_100012276601 [0,2,0,0,0,0|1,0,0]=3 13233 B12R0.184 CCC(C)CCCOCCN(C)C 7a_100011216074_100000755713 [0,2,0,0,0,0|2,0,0]=4 13234 B12R0.184 CCC(C)CCNCCCC(C)C 2230a_100020591266_100011214892 [0,2,0,0,0,0|1,0,0]=3 13235 B12R0.184 CCC(C)CCNCCCC(C)O 2230a_100020591266_200000718107 [0,2,0,0,0,0|1,0,0]=3 13236 B12R0.184 CCC(C)CCNCCOC(C)C 2230a_100020591266_100000211751 [0,2,0,0,0,0|2,0,0]=4 13237 B12R0.184 CCC(C)CCNCCSC(C)C 2230a_100020591266_100000730970 [0,2,0,0,0,0|2,0,0]=4 13238 B12R0.184 CCC(C)CCOCCCC(=O)C 7a_100011215188_100011215641 [0,2,0,0,0,0|1,0,1]=4 13239 B12R0.184 CCC(C)CCOCCCC(C)C 7a_100011215188_100011214892 [0,2,0,0,0,0|1,0,0]=3 13240 B12R0.184 CCC(C)CCOCCCC(C)O 7a_100011215188_200000718107 [0,2,0,0,0,0|1,0,0]=3 13241 B12R0.184 CCC(C)CCOCCCN(C)C 7a_100011215188_100000757444 [0,2,0,0,0,0|2,0,0]=4 13242 B12R0.184 CCC(C)CCOCCOC(C)C 7a_100011215188_100000211751 [0,2,0,0,0,0|2,0,0]=4 13243 B12R0.184 CCC(C)CCOCCSC(C)C 7a_100011215188_100000730970 [0,2,0,0,0,0|2,0,0]=4 13244 B12R0.184 CCC(C)CNCCCCC(C)C 2230a_100020588543_100011216152 [0,2,0,0,0,0|1,0,0]=3 13245 B12R0.184 CCC(C)CNCCCOC(C)C 2230a_100000737246_100000748023 [0,2,0,0,0,0|2,0,0]=4 13246 B12R0.184 CCC(C)CNCCCOC(C)C 270004a_100000737246_100000243153 [0,2,0,0,0,0|2,0,0]=4 13247 B12R0.184 CCC(C)CNCCCOC(C)C 34a_100000737246_100000748023 [0,2,0,0,0,0|2,0,0]=4 13248 B12R0.184 CCC(C)COCCCCC(C)C 34a_100011214890_100000748023 [0,2,0,0,0,0|1,0,0]=3 13249 B12R0.184 CCC(C)COCCCCC(C)C 7a_100011214890_100000748023 [0,2,0,0,0,0|1,0,0]=3 13250 B12R0.184 CCC(C)COCCCNC(C)C 34a_100000182298_100000748023 [0,2,0,0,0,0|2,0,0]=4 13251 B12R0.184 CCC(C)COCCNCC(C)C 34a_100015185251_100000748023 [0,2,0,0,0,0|2,0,0]=4 13252 B12R0.184 CCC(C)COCCOCC(C)C 34a_100000703358_100000748023 [0,2,0,0,0,0|2,0,0]=4 13253 B12R0.184 CCC(C)COCCOCC(C)C 7a_100000703358_100000748023 [0,2,0,0,0,0|2,0,0]=4 13254 B12R0.184 CCC(C)COCCSCC(C)C 34a_200000230437_100000748023 [0,2,0,0,0,0|2,0,0]=4 13255 B12R0.184 CCC(C)COCCSCC(C)C 7a_200000230437_100000748023 [0,2,0,0,0,0|2,0,0]=4 13256 B12R0.184 CCC(C)CSCCCCC(=O)C 62a_100000735457_100000748023 [0,2,0,0,0,0|1,0,1]=4 13257 B12R0.184 CCC(C)CSCCCCC(=O)C 62a_100000748023_100000735457 [0,2,0,0,0,0|1,0,1]=4 13258 B12R0.184 CCC(C)CSCCCCC(C)C 62a_100000748023_100011216152 [0,2,0,0,0,0|1,0,0]=3 13259 B12R0.184 CCC(C)CSCCCCC(C)C 62a_100011216152_100000748023 [0,2,0,0,0,0|1,0,0]=3 13260 B12R0.184 CCC(C)CSCCCCN(C)C 62a_100000748023_100000690147 [0,2,0,0,0,0|2,0,0]=4 13261 B12R0.184 CCC(C)NCCCCCC(C)C 2230a_100000209981_100000210682 [0,2,0,0,0,0|1,0,0]=3 13262 B12R0.184 CCC(C)NCCCCCC(C)C 2230a_100011290863_100000758301 [0,2,0,0,0,0|1,0,0]=3 13263 B12R0.184 CCC(C)NCCCCCC(C)C 34a_100011290863_100011215416 [0,2,0,0,0,0|1,0,0]=3 13264 B12R0.184 CCC(C)NCCCOCC(C)C 2230a_100000205972_100000758301 [0,2,0,0,0,0|2,0,0]=4 13265 B12R0.184 CCC(C)NCCCOCC(C)C 34a_100000205972_100011215416 [0,2,0,0,0,0|2,0,0]=4 13266 B12R0.184 CCC(C)OCCCCCC(C)C 34a_100011995859_100011215416 [0,2,0,0,0,0|1,0,0]=3 13267 B12R0.184 CCC(C)OCCCCCC(C)C 7a_100000210228_100000210682 [0,2,0,0,0,0|1,0,0]=3 13268 B12R0.184 CCC(C)OCCCCCC(C)C 7a_100011995859_100000758301 [0,2,0,0,0,0|1,0,0]=3 13269 B12R0.184 CCC(C)OCCCCNC(C)C 34a_100011521146_100011215416 [0,2,0,0,0,0|2,0,0]=4 13270 B12R0.184 CCC(C)SCCCCCC(C)C 62a_100000210682_100000758301 [0,2,0,0,0,0|1,0,0]=3 13271 B12R0.184 CCC(C)SCCCCCC(C)C 62a_100000758301_100000210682 [0,2,0,0,0,0|1,0,0]=3 13272 B12R0.184 CCC(O)CNCCCCB(O)O 2230a_100011218483_200009817182 [0,2,0,0,0,0|2,0,0]=4 13273 B12R0.184 CCC(O)CNCCCCC(=O)N 34a_100000696515_100011218378 [0,2,0,0,0,0|1,0,1]=4 13274 B12R0.184 CCC(O)CNCCCCC(C)C 2230a_100011218483_100011216152 [0,2,0,0,0,0|0,0,0]=2 13275 B12R0.184 CCC(O)CNCCCNC(=O)C 34a_100000736810_100011218378 [0,2,0,0,0,0|1,0,1]=4 13276 B12R0.184 CCC(O)CNCCCOC(=S)C 2230a_100011218483_200135323944 [0,2,0,0,0,0|1,0,1]=4 13277 B12R0.184 CCC(O)CNCCCOC(C)C 2230a_100000737246_100011218378 [0,2,0,0,0,0|1,0,0]=3 13278 B12R0.184 CCC(O)CNCCCOC(C)C 34a_100000737246_100011218378 [0,2,0,0,0,0|1,0,0]=3 13279 B12R0.184 CCC(O)CNCCCSC(=O)C 2230a_100011218483_100000038929 [0,2,0,0,0,0|1,0,1]=4 13280 B12R0.184 CCC(O)CNCCOCC(F)F 2230a_100011218483_200012177212 [0,2,0,0,0,0|2,0,0]=4 13281 B12R0.184 CCC(O)COCCCCC(=O)N 34a_100012022536_100011218378 [0,2,0,0,0,0|1,0,1]=4 13282 B12R0.184 CCC(O)COCCCCC(=O)N 7a_100012022536_100011218378 [0,2,0,0,0,0|1,0,1]=4 13283 B12R0.184 CCC(O)COCCCCC(C)C 34a_100011214890_100011218378 [0,2,0,0,0,0|0,0,0]=2 13284 B12R0.184 CCC(O)COCCCCC(C)C 7a_100011214890_100011218378 [0,2,0,0,0,0|0,0,0]=2 13285 B12R0.184 CCC(O)COCCCC[N+](=O)[O-] 34a_200015379883_100011218378 [0,2,0,0,0,0|2,0,0]=4 13286 B12R0.184 CCC(O)COCCCC[N+](=O)[O-] 7a_200015379883_100011218378 [0,2,0,0,0,0|2,0,0]=4 13287 B12R0.184 CCC(O)COCCCNC(=O)C 34a_100000752032_100011218378 [0,2,0,0,0,0|1,0,1]=4 13288 B12R0.184 CCC(O)COCCCNC(C)C 34a_100000182298_100011218378 [0,2,0,0,0,0|1,0,0]=3 13289 B12R0.184 CCC(O)COCCNCC(C)C 34a_100015185251_100011218378 [0,2,0,0,0,0|1,0,0]=3 13290 B12R0.184 CCC(O)COCCOCC(C)C 34a_100000703358_100011218378 [0,2,0,0,0,0|1,0,0]=3 13291 B12R0.184 CCC(O)COCCOCC(C)C 7a_100000703358_100011218378 [0,2,0,0,0,0|1,0,0]=3 13292 B12R0.184 CCC(O)COCCOCC(F)F 34a_100000704375_100011218378 [0,2,0,0,0,0|2,0,0]=4 13293 B12R0.184 CCC(O)COCCOCC(F)F 7a_100000704375_100011218378 [0,2,0,0,0,0|2,0,0]=4 13294 B12R0.184 CCC(O)COCCSCC(C)C 34a_200000230437_100011218378 [0,2,0,0,0,0|1,0,0]=3 13295 B12R0.184 CCC(O)COCCSCC(C)C 7a_200000230437_100011218378 [0,2,0,0,0,0|1,0,0]=3 13296 B12R0.184 CCC(O)CSCCCCB(O)O 62a_100011218378_200009817182 [0,2,0,0,0,0|2,0,0]=4 13297 B12R0.184 CCC(O)CSCCCCB(O)O 62a_200009817182_100011218378 [0,2,0,0,0,0|2,0,0]=4 13298 B12R0.184 CCC(O)CSCCCCC(=O)C 62a_100000735457_100011218378 [0,2,0,0,0,0|0,0,1]=3 13299 B12R0.184 CCC(O)CSCCCCC(=O)C 62a_100011218378_100000735457 [0,2,0,0,0,0|0,0,1]=3 13300 B12R0.184 CCC(O)CSCCCCC(C)C 62a_100011216152_100011218378 [0,2,0,0,0,0|0,0,0]=2 13301 B12R0.184 CCC(O)CSCCCCC(C)C 62a_100011218378_100011216152 [0,2,0,0,0,0|0,0,0]=2 13302 B12R0.184 CCC(O)CSCCCCN(C)C 62a_100011218378_100000690147 [0,2,0,0,0,0|1,0,0]=3 13303 B12R0.184 CCC(O)CSCCCOC(=O)C 62a_100000042594_100011218378 [0,2,0,0,0,0|1,0,1]=4 13304 B12R0.184 CCC(O)CSCCCOC(=O)C 62a_100011218378_100000042594 [0,2,0,0,0,0|1,0,1]=4 13305 B12R0.184 CCC(O)CSCCCOC(=S)C 62a_100011218378_200135323944 [0,2,0,0,0,0|1,0,1]=4 13306 B12R0.184 CCC(O)CSCCCOC(=S)C 62a_200135323944_100011218378 [0,2,0,0,0,0|1,0,1]=4 13307 B12R0.184 CCC(O)CSCCCSC(=O)C 62a_100000038929_100011218378 [0,2,0,0,0,0|1,0,1]=4 13308 B12R0.184 CCC(O)CSCCCSC(=O)C 62a_100011218378_100000038929 [0,2,0,0,0,0|1,0,1]=4 13309 B12R0.184 CCC(O)CSCCOCC(F)F 62a_100011218378_200012177212 [0,2,0,0,0,0|2,0,0]=4 13310 B12R0.184 CCC(O)CSCCOCC(F)F 62a_200012177212_100011218378 [0,2,0,0,0,0|2,0,0]=4 13311 B12R0.184 CCN(C)CCCNCCC(C)O 2230a_200000755665_100015186262 [0,2,0,0,0,0|2,0,0]=4 13312 B12R0.184 CCN(C)CCCOCCC(C)C 7a_100000210254_100015186262 [0,2,0,0,0,0|2,0,0]=4 13313 B12R0.184 CCN(C)CCCSCCC(C)C 62a_100000210312_100015186262 [0,2,0,0,0,0|2,0,0]=4 13314 B12R0.184 CCN(C)CCCSCCC(C)O 62a_100012276601_100015186262 [0,2,0,0,0,0|2,0,0]=4 13315 B12R0.184 CC[C@H](C)CNCCCOC(C)C 2230a_100000737246_100009816398 [0,2,0,0,0,0|2,0,0]=4 13316 B12R0.184 CC[C@H](C)CNCCCOC(C)C 34a_100000737246_100009816398 [0,2,0,0,0,0|2,0,0]=4 13317 B12R0.184 CC[C@H](C)COCCCCC(=O)C 7a_100009816381_100000735457 [0,2,0,0,0,0|1,0,1]=4 13318 B12R0.184 CC[C@H](C)COCCCCC(C)C 34a_100011214890_100009816398 [0,2,0,0,0,0|1,0,0]=3 13319 B12R0.184 CC[C@H](C)COCCCCC(C)C 7a_100009816381_100011216152 [0,2,0,0,0,0|1,0,0]=3 13320 B12R0.184 CC[C@H](C)COCCCCC(C)C 7a_100011214890_100009816398 [0,2,0,0,0,0|1,0,0]=3 13321 B12R0.184 CC[C@H](C)COCCCNC(C)C 34a_100000182298_100009816398 [0,2,0,0,0,0|2,0,0]=4 13322 B12R0.184 CC[C@H](C)COCCNCC(C)C 34a_100015185251_100009816398 [0,2,0,0,0,0|2,0,0]=4 13323 B12R0.184 CC[C@H](C)COCCOCC(C)C 34a_100000703358_100009816398 [0,2,0,0,0,0|2,0,0]=4 13324 B12R0.184 CC[C@H](C)COCCOCC(C)C 7a_100000703358_100009816398 [0,2,0,0,0,0|2,0,0]=4 13325 B12R0.184 CC[C@H](C)COCCSCC(C)C 34a_200000230437_100009816398 [0,2,0,0,0,0|2,0,0]=4 13326 B12R0.184 CC[C@H](C)COCCSCC(C)C 7a_200000230437_100009816398 [0,2,0,0,0,0|2,0,0]=4 13327 B12R0.184 CC[C@H](C)CSCCCCC(=O)C 62a_100000735457_100009816398 [0,2,0,0,0,0|1,0,1]=4 13328 B12R0.184 CC[C@H](C)CSCCCCC(=O)C 62a_100009816398_100000735457 [0,2,0,0,0,0|1,0,1]=4 13329 B12R0.184 CC[C@H](C)CSCCCCC(C)C 62a_100009816398_100011216152 [0,2,0,0,0,0|1,0,0]=3 13330 B12R0.184 CC[C@H](C)CSCCCCC(C)C 62a_100011216152_100009816398 [0,2,0,0,0,0|1,0,0]=3 13331 B12R0.184 CC[C@H](C)CSCCCCN(C)C 62a_100009816398_100000690147 [0,2,0,0,0,0|2,0,0]=4 13332 B12R0.184 CN(C)CCCCSCC(O)CO 62a_100011219619_100000690147 [0,2,0,0,0,0|2,0,0]=4 13333 B12R0.184 CN(C)CCCCSC[C@@H](O)CF 62a_100015614560_100000690147 [0,2,0,0,0,0|2,0,0]=4 13334 B12R0.184 CN(C)CCCCSC[C@@H](O)CO 62a_100009815848_100000690147 [0,2,0,0,0,0|2,0,0]=4 13335 B12R0.184 COC(C)CCOCCCC(C)C 7a_100000764861_100011214892 [0,2,0,0,0,0|2,0,0]=4 13336 B12R0.184 COC(C)CCOCCCC(C)O 7a_100000764861_200000718107 [0,2,0,0,0,0|2,0,0]=4 13337 B12R0.184 COC(C)COCCCCC(C)C 34a_100000690652_100011216152 [0,2,0,0,0,0|2,0,0]=4 13338 B12R0.184 COC(C)SCCCCCC(C)C 62a_100000210682_100009879195 [0,2,0,0,0,0|2,0,0]=4 13339 B12R0.184 COC(C)SCCCCCC(C)C 62a_100009879195_100000210682 [0,2,0,0,0,0|2,0,0]=4 13340 B12R0.184 CO[C@H](C)CNCCCCC(C)C 2230a_100020591295_100011216152 [0,2,0,0,0,0|2,0,0]=4 13341 B12R0.248 C#CC(O)CCCCCNCCF 34a_100000724931_200010408556 [0,2,0,0,0,0|0,0,2]=4 13342 B12R0.248 C#CC(O)CCCCCNCCO 2230a_100016997473_200010408556 [0,2,0,0,0,0|0,0,2]=4 13343 B12R0.248 C#CC(O)CCCCCNCCO 34a_100016990907_200010408556 [0,2,0,0,0,0|0,0,2]=4 13344 B12R0.248 C#CC(O)CCCCCOCCBr 34a_100000211926_200010408556 [0,2,0,0,0,0|0,0,2]=4 13345 B12R0.248 C#CC(O)CCCCCOCCC 34a_100000210258_200010408556 [0,2,0,0,0,0|0,0,2]=4 13346 B12R0.248 C#CC(O)CCCCCOCCN 34a_100000210304_200010408556 [0,2,0,0,0,0|0,0,2]=4 13347 B12R0.248 C#CC(O)CCCCCSCCC 62a_100000210303_200010408556 [0,2,0,0,0,0|0,0,2]=4 13348 B12R0.248 C#CC(O)CCCCCSCCC 62a_200010408556_100000210303 [0,2,0,0,0,0|0,0,2]=4 13349 B12R0.248 C#CC(O)CCCCCSCCF 62a_100011217306_200010408556 [0,2,0,0,0,0|0,0,2]=4 13350 B12R0.248 C#CC(O)CCCCCSCCF 62a_200010408556_100011217306 [0,2,0,0,0,0|0,0,2]=4 13351 B12R0.248 C#CC(O)CCCCCSCCO 62a_100000211926_200010408556 [0,2,0,0,0,0|0,0,2]=4 13352 B12R0.248 C#CC(O)CCCCCSCCO 62a_200010408556_100000211926 [0,2,0,0,0,0|0,0,2]=4 13353 B12R0.248 C#CC(O)CCCCCSCOC 62a_100000766300_200010408556 [0,2,0,0,0,0|0,0,2]=4 13354 B12R0.248 C#CC(O)CCCCCSCOC 62a_200010408556_100000766300 [0,2,0,0,0,0|0,0,2]=4 13355 B12R0.248 C#CC(O)CCCCCSCSC 62a_100011218213_200010408556 [0,2,0,0,0,0|0,0,2]=4 13356 B12R0.248 C#CC(O)CCCCCSCSC 62a_200010408556_100011218213 [0,2,0,0,0,0|0,0,2]=4 13357 B12R0.248 C#CCCCCCCCC(=O)CC 1458a_100000087357_100000210202 [0,2,0,0,0,0|0,0,2]=4 13358 B12R0.248 C#CCCCCCCCC(=O)CC 1458a_100000210414_100153394163 [0,2,0,0,0,0|0,0,2]=4 13359 B12R0.248 C#CCCCCCCCN(C)CC 2230a_100000225621_100153394163 [0,2,0,0,0,0|2,0,0]=4 13360 B12R0.248 C#CCCCCCCCN(C)CC 269982a_100000225621_100153394163 [0,2,0,0,0,0|2,0,0]=4 13361 B12R0.248 C#CCCCCCCNC(C)CC 2230a_100000209981_100012276617 [0,2,0,0,0,0|1,0,1]=4 13362 B12R0.248 C#CCCCCCCOC(C)CC 34a_100011217361_100011215416 [0,2,0,0,0,0|1,0,1]=4 13363 B12R0.248 C#CCCCCCCOC(C)CC 7a_100000210228_100012276617 [0,2,0,0,0,0|1,0,1]=4 13364 B12R0.248 C#CCCCCCCOC(C)CC 7a_100011217361_100000758301 [0,2,0,0,0,0|1,0,1]=4 13365 B12R0.248 C#CCCCCCCSC(C)CC 62a_100000758301_100012276617 [0,2,0,0,0,0|1,0,1]=4 13366 B12R0.248 C#CCCCCCCSC(C)CC 62a_100012276617_100000758301 [0,2,0,0,0,0|1,0,1]=4 13367 B12R0.248 C#CCCCCCNCC(C)CC 2230a_100020588543_100012094781 [0,2,0,0,0,0|1,0,1]=4 13368 B12R0.248 C#CCCCCCNCC(O)CC 2230a_100011218483_100012094781 [0,2,0,0,0,0|0,0,1]=3 13369 B12R0.248 C#CCCCCCNC[C@H](O)CO 2230a_100020644852_100012094781 [0,2,0,0,0,0|1,0,1]=4 13370 B12R0.248 C#CCCCCCOCC(C)CC 34a_100000766912_100000748023 [0,2,0,0,0,0|1,0,1]=4 13371 B12R0.248 C#CCCCCCOCC(C)CC 7a_100000766912_100000748023 [0,2,0,0,0,0|1,0,1]=4 13372 B12R0.248 C#CCCCCCOCC(O)CC 34a_100000766912_100011218378 [0,2,0,0,0,0|0,0,1]=3 13373 B12R0.248 C#CCCCCCOCC(O)CC 7a_100000766912_100011218378 [0,2,0,0,0,0|0,0,1]=3 13374 B12R0.248 C#CCCCCCOCC(O)CO 34a_100000766912_100011219619 [0,2,0,0,0,0|1,0,1]=4 13375 B12R0.248 C#CCCCCCOCC(O)CO 7a_100000766912_100011219619 [0,2,0,0,0,0|1,0,1]=4 13376 B12R0.248 C#CCCCCCOC[C@@H](C)CC 34a_100000766912_100009816398 [0,2,0,0,0,0|1,0,1]=4 13377 B12R0.248 C#CCCCCCOC[C@@H](C)CC 7a_100000766912_100009816398 [0,2,0,0,0,0|1,0,1]=4 13378 B12R0.248 C#CCCCCCOC[C@@H](C)CC 7a_100009816381_100012094781 [0,2,0,0,0,0|1,0,1]=4 13379 B12R0.248 C#CCCCCCOC[C@@H](O)CF 34a_100000766912_100015614560 [0,2,0,0,0,0|1,0,1]=4 13380 B12R0.248 C#CCCCCCOC[C@@H](O)CF 7a_100000766912_100015614560 [0,2,0,0,0,0|1,0,1]=4 13381 B12R0.248 C#CCCCCCOC[C@@H](O)CO 34a_100000766912_100009815848 [0,2,0,0,0,0|1,0,1]=4 13382 B12R0.248 C#CCCCCCOC[C@@H](O)CO 7a_100000766912_100009815848 [0,2,0,0,0,0|1,0,1]=4 13383 B12R0.248 C#CCCCCCSCC(C)CC 62a_100000748023_100012094781 [0,2,0,0,0,0|1,0,1]=4 13384 B12R0.248 C#CCCCCCSCC(C)CC 62a_100012094781_100000748023 [0,2,0,0,0,0|1,0,1]=4 13385 B12R0.248 C#CCCCCCSCC(O)CC 62a_100011218378_100012094781 [0,2,0,0,0,0|0,0,1]=3 13386 B12R0.248 C#CCCCCCSCC(O)CC 62a_100012094781_100011218378 [0,2,0,0,0,0|0,0,1]=3 13387 B12R0.248 C#CCCCCCSCC(O)CO 62a_100011219619_100012094781 [0,2,0,0,0,0|1,0,1]=4 13388 B12R0.248 C#CCCCCCSCC(O)CO 62a_100012094781_100011219619 [0,2,0,0,0,0|1,0,1]=4 13389 B12R0.248 C#CCCCCCSC[C@@H](C)CC 62a_100009816398_100012094781 [0,2,0,0,0,0|1,0,1]=4 13390 B12R0.248 C#CCCCCCSC[C@@H](C)CC 62a_100012094781_100009816398 [0,2,0,0,0,0|1,0,1]=4 13391 B12R0.248 C#CCCCCCSC[C@@H](O)CF 62a_100012094781_100015614560 [0,2,0,0,0,0|1,0,1]=4 13392 B12R0.248 C#CCCCCCSC[C@@H](O)CF 62a_100015614560_100012094781 [0,2,0,0,0,0|1,0,1]=4 13393 B12R0.248 C#CCCCCCSC[C@@H](O)CO 62a_100009815848_100012094781 [0,2,0,0,0,0|1,0,1]=4 13394 B12R0.248 C#CCCCCCSC[C@@H](O)CO 62a_100012094781_100009815848 [0,2,0,0,0,0|1,0,1]=4 13395 B12R0.248 C#CCCCCNCCC(C)CC 2230a_100020591266_100010269958 [0,2,0,0,0,0|1,0,1]=4 13396 B12R0.248 C#CCCCCOCCC(C)CC 7a_100011215188_100010269958 [0,2,0,0,0,0|1,0,1]=4 13397 B12R0.248 C#CCCCOCCCC(C)CC 7a_100011216074_100011215417 [0,2,0,0,0,0|1,0,1]=4 13398 B12R0.248 C#CCOCCCCCC(C)CC 7a_200000035636_100000038162 [0,2,0,0,0,0|1,0,1]=4 13399 B12R0.248 C=CC(O)CNCCCCCCC 2230a_100000229938_100000730141 [0,2,0,0,0,0|0,0,2]=4 13400 B12R0.248 C=CC(O)CNCCCCCCO 2230a_100000686447_100000730141 [0,2,0,0,0,0|0,0,2]=4 13401 B12R0.248 C=CC(O)CNCCCCCCO 34a_100000686447_100000730141 [0,2,0,0,0,0|0,0,2]=4 13402 B12R0.248 C=CC(O)CNCCCCCOC 2230a_100000747528_100000730141 [0,2,0,0,0,0|0,0,2]=4 13403 B12R0.248 C=CC(O)CNCCCCCOC 34a_100000747528_100000730141 [0,2,0,0,0,0|0,0,2]=4 13404 B12R0.248 C=CC(O)CNCCCOCCC 2230a_100011217757_100000730141 [0,2,0,0,0,0|0,0,2]=4 13405 B12R0.248 C=CC(O)CNCCCOCCC 34a_100011217757_100000730141 [0,2,0,0,0,0|0,0,2]=4 13406 B12R0.248 C=CC(O)CNCCSCCCC 2230a_100025743550_100000730141 [0,2,0,0,0,0|0,0,2]=4 13407 B12R0.248 C=CC(O)COCCCCCCBr 34a_100011215345_100000730141 [0,2,0,0,0,0|0,0,2]=4 13408 B12R0.248 C=CC(O)COCCCCCCBr 7a_100011215345_100000730141 [0,2,0,0,0,0|0,0,2]=4 13409 B12R0.248 C=CC(O)COCCCCCCC 34a_100000210272_100000730141 [0,2,0,0,0,0|0,0,2]=4 13410 B12R0.248 C=CC(O)COCCCCCCC 7a_100000210272_100000730141 [0,2,0,0,0,0|0,0,2]=4 13411 B12R0.248 C=CC(O)COCCCCCCCl 34a_100000766143_100000730141 [0,2,0,0,0,0|0,0,2]=4 13412 B12R0.248 C=CC(O)COCCCCCCCl 7a_100000766143_100000730141 [0,2,0,0,0,0|0,0,2]=4 13413 B12R0.248 C=CC(O)COCCCCCCF 34a_100000732779_100000730141 [0,2,0,0,0,0|0,0,2]=4 13414 B12R0.248 C=CC(O)COCCCCCCF 7a_100000732779_100000730141 [0,2,0,0,0,0|0,0,2]=4 13415 B12R0.248 C=CC(O)COCCCCCCN 34a_100000686447_100000730141 [0,2,0,0,0,0|0,0,2]=4 13416 B12R0.248 C=CC(O)COCCCCCNC 34a_100000722520_100000730141 [0,2,0,0,0,0|0,0,2]=4 13417 B12R0.248 C=CC(O)COCCOCCCC 34a_100000210238_100000730141 [0,2,0,0,0,0|0,0,2]=4 13418 B12R0.248 C=CC(O)COCCOCCCC 7a_100000210238_100000730141 [0,2,0,0,0,0|0,0,2]=4 13419 B12R0.248 C=CC(O)COCCSCCCC 34a_200000230436_100000730141 [0,2,0,0,0,0|0,0,2]=4 13420 B12R0.248 C=CC(O)COCCSCCCC 7a_200000230436_100000730141 [0,2,0,0,0,0|0,0,2]=4 13421 B12R0.248 C=CC(O)CSCCCCCCC 62a_100000210614_100000730141 [0,2,0,0,0,0|0,0,2]=4 13422 B12R0.248 C=CC(O)CSCCCCCCC 62a_100000730141_100000210316 [0,2,0,0,0,0|0,0,2]=4 13423 B12R0.248 C=CC(O)CSCCCCCCF 62a_100000730141_100015922095 [0,2,0,0,0,0|0,0,2]=4 13424 B12R0.248 C=CC(O)CSCCCCCCF 62a_100015922095_100000730141 [0,2,0,0,0,0|0,0,2]=4 13425 B12R0.248 C=CC(O)CSCCCCCCO 62a_100000730141_100000766143 [0,2,0,0,0,0|0,0,2]=4 13426 B12R0.248 C=CC(O)CSCCCCCCO 62a_100000766143_100000730141 [0,2,0,0,0,0|0,0,2]=4 13427 B12R0.248 C=CC(O)CSCCOCCCC 62a_100000730141_100000743108 [0,2,0,0,0,0|0,0,2]=4 13428 B12R0.248 C=CC(O)CSCCOCCCC 62a_100000743108_100000730141 [0,2,0,0,0,0|0,0,2]=4 13429 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100000210414_100012355270 [0,2,0,0,0,0|0,0,2]=4 13430 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100011216160_100000210202 [0,2,0,0,0,0|0,0,2]=4 13431 B12R0.248 C=CCCCCCCCN(C)CC 2230a_100000225621_100012355270 [0,2,0,0,0,0|2,0,0]=4 13432 B12R0.248 C=CCCCCCCCN(C)CC 269982a_100000225621_100012355270 [0,2,0,0,0,0|2,0,0]=4 13433 B12R0.248 C=CCCCCCCNC(C)CC 2230a_100000209981_100011215473 [0,2,0,0,0,0|1,0,1]=4 13434 B12R0.248 C=CCCCCCCOC(C)CC 34a_200011216477_100011215416 [0,2,0,0,0,0|1,0,1]=4 13435 B12R0.248 C=CCCCCCCOC(C)CC 7a_100000210228_100011215473 [0,2,0,0,0,0|1,0,1]=4 13436 B12R0.248 C=CCCCCCCOC(C)CC 7a_200011216477_100000758301 [0,2,0,0,0,0|1,0,1]=4 13437 B12R0.248 C=CCCCCCCSC(C)CC 62a_100000758301_100011215473 [0,2,0,0,0,0|1,0,1]=4 13438 B12R0.248 C=CCCCCCCSC(C)CC 62a_100011215473_100000758301 [0,2,0,0,0,0|1,0,1]=4 13439 B12R0.248 C=CCCCCCNCC(C)CC 2230a_100020588543_100000700193 [0,2,0,0,0,0|1,0,1]=4 13440 B12R0.248 C=CCCCCCNCC(O)CC 2230a_100011218483_100000700193 [0,2,0,0,0,0|0,0,1]=3 13441 B12R0.248 C=CCCCCCNC[C@H](O)CO 2230a_100020644852_100000700193 [0,2,0,0,0,0|1,0,1]=4 13442 B12R0.248 C=CCCCCCOCC(C)CC 34a_100011216702_100000748023 [0,2,0,0,0,0|1,0,1]=4 13443 B12R0.248 C=CCCCCCOCC(C)CC 7a_100011216702_100000748023 [0,2,0,0,0,0|1,0,1]=4 13444 B12R0.248 C=CCCCCCOCC(O)CC 34a_100011216702_100011218378 [0,2,0,0,0,0|0,0,1]=3 13445 B12R0.248 C=CCCCCCOCC(O)CC 7a_100011216702_100011218378 [0,2,0,0,0,0|0,0,1]=3 13446 B12R0.248 C=CCCCCCOCC(O)CO 34a_100011216702_100011219619 [0,2,0,0,0,0|1,0,1]=4 13447 B12R0.248 C=CCCCCCOCC(O)CO 7a_100011216702_100011219619 [0,2,0,0,0,0|1,0,1]=4 13448 B12R0.248 C=CCCCCCOC[C@@H](C)CC 34a_100011216702_100009816398 [0,2,0,0,0,0|1,0,1]=4 13449 B12R0.248 C=CCCCCCOC[C@@H](C)CC 7a_100009816381_100000700193 [0,2,0,0,0,0|1,0,1]=4 13450 B12R0.248 C=CCCCCCOC[C@@H](C)CC 7a_100011216702_100009816398 [0,2,0,0,0,0|1,0,1]=4 13451 B12R0.248 C=CCCCCCOC[C@@H](O)CF 34a_100011216702_100015614560 [0,2,0,0,0,0|1,0,1]=4 13452 B12R0.248 C=CCCCCCOC[C@@H](O)CF 7a_100011216702_100015614560 [0,2,0,0,0,0|1,0,1]=4 13453 B12R0.248 C=CCCCCCOC[C@@H](O)CO 34a_100011216702_100009815848 [0,2,0,0,0,0|1,0,1]=4 13454 B12R0.248 C=CCCCCCOC[C@@H](O)CO 7a_100011216702_100009815848 [0,2,0,0,0,0|1,0,1]=4 13455 B12R0.248 C=CCCCCCSCC(C)CC 62a_100000700193_100000748023 [0,2,0,0,0,0|1,0,1]=4 13456 B12R0.248 C=CCCCCCSCC(C)CC 62a_100000748023_100000700193 [0,2,0,0,0,0|1,0,1]=4 13457 B12R0.248 C=CCCCCCSCC(O)CC 62a_100000700193_100011218378 [0,2,0,0,0,0|0,0,1]=3 13458 B12R0.248 C=CCCCCCSCC(O)CC 62a_100011218378_100000700193 [0,2,0,0,0,0|0,0,1]=3 13459 B12R0.248 C=CCCCCCSCC(O)CO 62a_100000700193_100011219619 [0,2,0,0,0,0|1,0,1]=4 13460 B12R0.248 C=CCCCCCSCC(O)CO 62a_100011219619_100000700193 [0,2,0,0,0,0|1,0,1]=4 13461 B12R0.248 C=CCCCCCSC[C@@H](C)CC 62a_100000700193_100009816398 [0,2,0,0,0,0|1,0,1]=4 13462 B12R0.248 C=CCCCCCSC[C@@H](C)CC 62a_100009816398_100000700193 [0,2,0,0,0,0|1,0,1]=4 13463 B12R0.248 C=CCCCCCSC[C@@H](O)CF 62a_100000700193_100015614560 [0,2,0,0,0,0|1,0,1]=4 13464 B12R0.248 C=CCCCCCSC[C@@H](O)CF 62a_100015614560_100000700193 [0,2,0,0,0,0|1,0,1]=4 13465 B12R0.248 C=CCCCCCSC[C@@H](O)CO 62a_100000700193_100009815848 [0,2,0,0,0,0|1,0,1]=4 13466 B12R0.248 C=CCCCCCSC[C@@H](O)CO 62a_100009815848_100000700193 [0,2,0,0,0,0|1,0,1]=4 13467 B12R0.248 C=CCCCCNCCC(C)CC 2230a_100020591266_100011215482 [0,2,0,0,0,0|1,0,1]=4 13468 B12R0.248 C=CCCCCOCCC(C)CC 7a_100011215188_100011215482 [0,2,0,0,0,0|1,0,1]=4 13469 B12R0.248 C=CCCCOCCCC(C)CC 7a_100011216074_100000757094 [0,2,0,0,0,0|1,0,1]=4 13470 B12R0.248 C=CCOCCCCCC(C)CC 7a_200000035636_100015514636 [0,2,0,0,0,0|1,0,1]=4 13471 B12R0.248 C=COCCCCOCC(O)CC 34a_100000031558_100011218378 [0,2,0,0,0,0|0,0,2]=4 13472 B12R0.248 C=COCCCCOCC(O)CC 7a_100000031558_100011218378 [0,2,0,0,0,0|0,0,2]=4 13473 B12R0.248 CC(CF)OCCCCCCCO 34a_100016041109_100000760002 [0,2,0,0,0,0|2,0,0]=4 13474 B12R0.248 CC(CF)OCCCCCCCO 7a_100016041109_100000760002 [0,2,0,0,0,0|2,0,0]=4 13475 B12R0.248 CC(CN)COCCCCCCF 34a_100000744482_100015922095 [0,2,0,0,0,0|2,0,0]=4 13476 B12R0.248 CC(CN)COCCCCCCO 34a_100000744482_100000766143 [0,2,0,0,0,0|2,0,0]=4 13477 B12R0.248 CC(CN)OCCCCCCCO 34a_100000210904_100000760002 [0,2,0,0,0,0|2,0,0]=4 13478 B12R0.248 CC(CO)CCNCCCCCF 2230a_106354213184_100000729378 [0,2,0,0,0,0|2,0,0]=4 13479 B12R0.248 CC(CO)CCNCCCCCF 34a_106354213184_100000729378 [0,2,0,0,0,0|2,0,0]=4 13480 B12R0.248 CC(CO)CCNCCCCCO 2230a_106354213184_100000746330 [0,2,0,0,0,0|2,0,0]=4 13481 B12R0.248 CC(CO)CCNCCCCCO 34a_106354213184_100000746330 [0,2,0,0,0,0|2,0,0]=4 13482 B12R0.248 CC(CO)CNCCCCCCF 34a_100000744482_100015922095 [0,2,0,0,0,0|2,0,0]=4 13483 B12R0.248 CC(CO)CNCCCCCCO 34a_100000744482_100000766143 [0,2,0,0,0,0|2,0,0]=4 13484 B12R0.248 CC(CO)NCCCCCCCO 2230a_100011996573_100012180447 [0,2,0,0,0,0|2,0,0]=4 13485 B12R0.248 CC(CO)NCCCCCCCO 34a_100011996573_100012180447 [0,2,0,0,0,0|2,0,0]=4 13486 B12R0.248 CC(CO)OCCCCCCCBr 34a_100000760002_100012180447 [0,2,0,0,0,0|2,0,0]=4 13487 B12R0.248 CC(CO)OCCCCCCCBr 7a_100000760002_100012180447 [0,2,0,0,0,0|2,0,0]=4 13488 B12R0.248 CC(CO)OCCCCCCCN 34a_100011996573_100012180447 [0,2,0,0,0,0|2,0,0]=4 13489 B12R0.248 CC(CO)SCCCCCCCO 62a_100012180447_100000760002 [0,2,0,0,0,0|2,0,0]=4 13490 B12R0.248 CC/C=C/CCCOCC(C)CC 34a_100016287902_100000748023 [0,2,0,0,0,0|1,0,1]=4 13491 B12R0.248 CC/C=C/CCCOCC(C)CC 7a_100016287902_100000748023 [0,2,0,0,0,0|1,0,1]=4 13492 B12R0.248 CC/C=C/CCCOCC(O)CC 34a_100016287902_100011218378 [0,2,0,0,0,0|0,0,1]=3 13493 B12R0.248 CC/C=C/CCCOCC(O)CC 7a_100016287902_100011218378 [0,2,0,0,0,0|0,0,1]=3 13494 B12R0.248 CC/C=C/CCCOCC(O)CO 34a_100016287902_100011219619 [0,2,0,0,0,0|1,0,1]=4 13495 B12R0.248 CC/C=C/CCCOCC(O)CO 7a_100016287902_100011219619 [0,2,0,0,0,0|1,0,1]=4 13496 B12R0.248 CC/C=C/CCCOC[C@@H](C)CC 34a_100016287902_100009816398 [0,2,0,0,0,0|1,0,1]=4 13497 B12R0.248 CC/C=C/CCCOC[C@@H](C)CC 7a_100016287902_100009816398 [0,2,0,0,0,0|1,0,1]=4 13498 B12R0.248 CC/C=C/CCCOC[C@@H](O)CF 34a_100016287902_100015614560 [0,2,0,0,0,0|1,0,1]=4 13499 B12R0.248 CC/C=C/CCCOC[C@@H](O)CF 7a_100016287902_100015614560 [0,2,0,0,0,0|1,0,1]=4 13500 B12R0.248 CC/C=C/CCCOC[C@@H](O)CO 34a_100016287902_100009815848 [0,2,0,0,0,0|1,0,1]=4 13501 B12R0.248 CC/C=C/CCCOC[C@@H](O)CO 7a_100016287902_100009815848 [0,2,0,0,0,0|1,0,1]=4 13502 B12R0.248 CC/C=C\CCCCOC(C)CC 34a_100016287862_100011215416 [0,2,0,0,0,0|1,0,1]=4 13503 B12R0.248 CC/C=C\CCCCOC(C)CC 7a_100016287862_100000758301 [0,2,0,0,0,0|1,0,1]=4 13504 B12R0.248 CC/C=C\CCNCCC(C)CC 2230a_100020591266_100015370543 [0,2,0,0,0,0|1,0,1]=4 13505 B12R0.248 CC/C=C\CCOCCC(C)CC 7a_100011215188_100015370543 [0,2,0,0,0,0|1,0,1]=4 13506 B12R0.248 CC/C=C\COCCCC(C)CC 7a_100011216074_100103147603 [0,2,0,0,0,0|1,0,1]=4 13507 B12R0.248 CCC#CCOCCCC(C)CC 7a_100011216074_100009813939 [0,2,0,0,0,0|1,0,1]=4 13508 B12R0.248 CCC(=O)CCCCCCCCO 1458a_100000210414_100000033203 [0,2,0,0,0,0|0,0,2]=4 13509 B12R0.248 CCC(=O)COCCCCCCBr 7a_100011215345_100000747405 [0,2,0,0,0,0|0,0,2]=4 13510 B12R0.248 CCC(=O)COCCCCCCCl 7a_100000766143_100000747405 [0,2,0,0,0,0|0,0,2]=4 13511 B12R0.248 CCC(=O)COCCCCCCF 34a_100000725409_100015922095 [0,2,0,0,0,0|0,0,2]=4 13512 B12R0.248 CCC(=O)COCCCCCCF 7a_100000732779_100000747405 [0,2,0,0,0,0|0,0,2]=4 13513 B12R0.248 CCC(=O)COCCCCCCO 34a_100000725409_100000766143 [0,2,0,0,0,0|0,0,2]=4 13514 B12R0.248 CCC(=O)CSCCCCCCF 62a_100000747405_100015922095 [0,2,0,0,0,0|0,0,2]=4 13515 B12R0.248 CCC(=O)CSCCCCCCF 62a_100015922095_100000747405 [0,2,0,0,0,0|0,0,2]=4 13516 B12R0.248 CCC(=O)CSCCCCCCO 62a_100000747405_100000766143 [0,2,0,0,0,0|0,0,2]=4 13517 B12R0.248 CCC(=O)CSCCCCCCO 62a_100000766143_100000747405 [0,2,0,0,0,0|0,0,2]=4 13518 B12R0.248 CCC(=O)NCCCCCCCO 240690a_100011996573_100000210414 [0,2,0,0,0,0|0,0,2]=4 13519 B12R0.248 CCC(C)CCCCCOCC#N 7a_200000035636_100011215382 [0,2,0,0,0,0|1,0,1]=4 13520 B12R0.248 CCC(C)CCCCCOCC=O 7a_200000035636_200015260668 [0,2,0,0,0,0|1,0,1]=4 13521 B12R0.248 CCC(C)CCCCCOCCF 7a_200000035636_100011217306 [0,2,0,0,0,0|1,0,0]=3 13522 B12R0.248 CCC(C)CCCCCOCCO 7a_200000035636_100000211926 [0,2,0,0,0,0|1,0,0]=3 13523 B12R0.248 CCC(C)CCCOCCCC#N 7a_100011216074_100000687738 [0,2,0,0,0,0|1,0,1]=4 13524 B12R0.248 CCC(C)CCCOCCCC=O 7a_100011216074_200011292268 [0,2,0,0,0,0|1,0,1]=4 13525 B12R0.248 CCC(C)CCCOCCCCF 7a_100011216074_100000729493 [0,2,0,0,0,0|1,0,0]=3 13526 B12R0.248 CCC(C)CCCOCCCCO 7a_100011216074_100000210776 [0,2,0,0,0,0|1,0,0]=3 13527 B12R0.248 CCC(C)CCCOCCCOC 7a_100011216074_100000740836 [0,2,0,0,0,0|1,0,0]=3 13528 B12R0.248 CCC(C)CCNCCCCC#N 2230a_100020591266_100000211819 [0,2,0,0,0,0|1,0,1]=4 13529 B12R0.248 CCC(C)CCNCCCCC=O 2230a_100020591266_100000139335 [0,2,0,0,0,0|1,0,1]=4 13530 B12R0.248 CCC(C)CCNCCCCCF 2230a_100020591266_100000729378 [0,2,0,0,0,0|1,0,0]=3 13531 B12R0.248 CCC(C)CCNCCCCCO 2230a_100020591266_100000746330 [0,2,0,0,0,0|1,0,0]=3 13532 B12R0.248 CCC(C)CCNCCCCOC 2230a_100020591266_100000730899 [0,2,0,0,0,0|1,0,0]=3 13533 B12R0.248 CCC(C)CCNCCOCCO 2230a_100020591266_100011215305 [0,2,0,0,0,0|2,0,0]=4 13534 B12R0.248 CCC(C)CCNCOCCOC 2230a_100020591266_100000231047 [0,2,0,0,0,0|2,0,0]=4 13535 B12R0.248 CCC(C)CCOCCCCC#N 7a_100011215188_100000211819 [0,2,0,0,0,0|1,0,1]=4 13536 B12R0.248 CCC(C)CCOCCCCC=O 7a_100011215188_100000139335 [0,2,0,0,0,0|1,0,1]=4 13537 B12R0.248 CCC(C)CCOCCCCCF 7a_100011215188_100000729378 [0,2,0,0,0,0|1,0,0]=3 13538 B12R0.248 CCC(C)CCOCCCCCO 7a_100011215188_100000746330 [0,2,0,0,0,0|1,0,0]=3 13539 B12R0.248 CCC(C)CCOCCCCOC 7a_100011215188_100000730899 [0,2,0,0,0,0|1,0,0]=3 13540 B12R0.248 CCC(C)CCOCCOCCO 7a_100011215188_100011215305 [0,2,0,0,0,0|2,0,0]=4 13541 B12R0.248 CCC(C)CNCCCCCC#N 2230a_100020588543_100009813376 [0,2,0,0,0,0|1,0,1]=4 13542 B12R0.248 CCC(C)CNCCCCCC#N 270004a_100000061152_100000243153 [0,2,0,0,0,0|1,0,1]=4 13543 B12R0.248 CCC(C)CNCCCCCC=O 2230a_100020588543_100000139337 [0,2,0,0,0,0|1,0,1]=4 13544 B12R0.248 CCC(C)CNCCCCCCF 2230a_100020588543_100015922095 [0,2,0,0,0,0|1,0,0]=3 13545 B12R0.248 CCC(C)CNCCCCCCO 2230a_100000686447_100000748023 [0,2,0,0,0,0|1,0,0]=3 13546 B12R0.248 CCC(C)CNCCCCCCO 2230a_100020588543_100000766143 [0,2,0,0,0,0|1,0,0]=3 13547 B12R0.248 CCC(C)CNCCCCCCO 270004a_100000686447_100000243153 [0,2,0,0,0,0|1,0,0]=3 13548 B12R0.248 CCC(C)CNCCCCCCO 34a_100000686447_100000748023 [0,2,0,0,0,0|1,0,0]=3 13549 B12R0.248 CCC(C)CNCCCCCOC 2230a_100000747528_100000748023 [0,2,0,0,0,0|1,0,0]=3 13550 B12R0.248 CCC(C)CNCCCCCOC 270004a_100000747528_100000243153 [0,2,0,0,0,0|1,0,0]=3 13551 B12R0.248 CCC(C)CNCCCCCOC 34a_100000747528_100000748023 [0,2,0,0,0,0|1,0,0]=3 13552 B12R0.248 CCC(C)CNCCOCCOC 2230a_100000745349_100000748023 [0,2,0,0,0,0|2,0,0]=4 13553 B12R0.248 CCC(C)CNCCOCCOC 2230a_100020588543_100000695917 [0,2,0,0,0,0|2,0,0]=4 13554 B12R0.248 CCC(C)CNCCOCCOC 270004a_100000745349_100000243153 [0,2,0,0,0,0|2,0,0]=4 13555 B12R0.248 CCC(C)CNCCOCCOC 34a_100000745349_100000748023 [0,2,0,0,0,0|2,0,0]=4 13556 B12R0.248 CCC(C)COCCCCCCBr 34a_100011215345_100000748023 [0,2,0,0,0,0|1,0,0]=3 13557 B12R0.248 CCC(C)COCCCCCCBr 7a_100011215345_100000748023 [0,2,0,0,0,0|1,0,0]=3 13558 B12R0.248 CCC(C)COCCCCCCCl 34a_100000766143_100000748023 [0,2,0,0,0,0|1,0,0]=3 13559 B12R0.248 CCC(C)COCCCCCCCl 7a_100000766143_100000748023 [0,2,0,0,0,0|1,0,0]=3 13560 B12R0.248 CCC(C)COCCCCCCF 34a_100000732779_100000748023 [0,2,0,0,0,0|1,0,0]=3 13561 B12R0.248 CCC(C)COCCCCCCF 7a_100000732779_100000748023 [0,2,0,0,0,0|1,0,0]=3 13562 B12R0.248 CCC(C)COCCCCCCN 34a_100000686447_100000748023 [0,2,0,0,0,0|1,0,0]=3 13563 B12R0.248 CCC(C)COCCCCCNC 34a_100000722520_100000748023 [0,2,0,0,0,0|1,0,0]=3 13564 B12R0.248 CCC(C)COCCOCCNC 34a_100000228057_100000748023 [0,2,0,0,0,0|2,0,0]=4 13565 B12R0.248 CCC(C)COCCOCCOC 34a_100011215163_100000748023 [0,2,0,0,0,0|2,0,0]=4 13566 B12R0.248 CCC(C)COCCOCCOC 7a_100011215163_100000748023 [0,2,0,0,0,0|2,0,0]=4 13567 B12R0.248 CCC(C)CSCCCCCC#N 62a_100000748023_100009813376 [0,2,0,0,0,0|1,0,1]=4 13568 B12R0.248 CCC(C)CSCCCCCC#N 62a_100009813376_100000748023 [0,2,0,0,0,0|1,0,1]=4 13569 B12R0.248 CCC(C)CSCCCCCC=O 62a_100000139337_100000748023 [0,2,0,0,0,0|1,0,1]=4 13570 B12R0.248 CCC(C)CSCCCCCC=O 62a_100000748023_100000139337 [0,2,0,0,0,0|1,0,1]=4 13571 B12R0.248 CCC(C)CSCCCCCCF 62a_100000748023_100015922095 [0,2,0,0,0,0|1,0,0]=3 13572 B12R0.248 CCC(C)CSCCCCCCF 62a_100015922095_100000748023 [0,2,0,0,0,0|1,0,0]=3 13573 B12R0.248 CCC(C)CSCCCCCCO 62a_100000748023_100000766143 [0,2,0,0,0,0|1,0,0]=3 13574 B12R0.248 CCC(C)CSCCCCCCO 62a_100000766143_100000748023 [0,2,0,0,0,0|1,0,0]=3 13575 B12R0.248 CCC(C)CSCCOCCOC 62a_100000695917_100000748023 [0,2,0,0,0,0|2,0,0]=4 13576 B12R0.248 CCC(C)CSCCOCCOC 62a_100000748023_100000695917 [0,2,0,0,0,0|2,0,0]=4 13577 B12R0.248 CCC(C)NCCCCCCC#N 2230a_100000209981_100009813337 [0,2,0,0,0,0|1,0,1]=4 13578 B12R0.248 CCC(C)NCCCCCCCO 2230a_100000209981_100000760002 [0,2,0,0,0,0|1,0,0]=3 13579 B12R0.248 CCC(C)NCCCCCCCO 2230a_100011996573_100000758301 [0,2,0,0,0,0|1,0,0]=3 13580 B12R0.248 CCC(C)NCCCCCCCO 34a_100011996573_100011215416 [0,2,0,0,0,0|1,0,0]=3 13581 B12R0.248 CCC(C)NCCCCCCOC 2230a_100000209981_100011998445 [0,2,0,0,0,0|1,0,0]=3 13582 B12R0.248 CCC(C)NCCCOCCCO 2230a_100011310245_100000758301 [0,2,0,0,0,0|2,0,0]=4 13583 B12R0.248 CCC(C)NCCCOCCCO 34a_100011310245_100011215416 [0,2,0,0,0,0|2,0,0]=4 13584 B12R0.248 CCC(C)NCCCOCCOC 2230a_100000206027_100000758301 [0,2,0,0,0,0|2,0,0]=4 13585 B12R0.248 CCC(C)NCCCOCCOC 2230a_100000209981_100011216529 [0,2,0,0,0,0|2,0,0]=4 13586 B12R0.248 CCC(C)NCCCOCCOC 34a_100000206027_100011215416 [0,2,0,0,0,0|2,0,0]=4 13587 B12R0.248 CCC(C)OCCCCCCC#N 7a_100000210228_100009813337 [0,2,0,0,0,0|1,0,1]=4 13588 B12R0.248 CCC(C)OCCCCCCCBr 34a_100000760002_100011215416 [0,2,0,0,0,0|1,0,0]=3 13589 B12R0.248 CCC(C)OCCCCCCCBr 7a_100000760002_100000758301 [0,2,0,0,0,0|1,0,0]=3 13590 B12R0.248 CCC(C)OCCCCCCCN 34a_100011996573_100011215416 [0,2,0,0,0,0|1,0,0]=3 13591 B12R0.248 CCC(C)OCCCCCCCO 7a_100000210228_100000760002 [0,2,0,0,0,0|1,0,0]=3 13592 B12R0.248 CCC(C)OCCCCCCOC 34a_200012092642_100011215416 [0,2,0,0,0,0|1,0,0]=3 13593 B12R0.248 CCC(C)OCCCCCCOC 7a_100000210228_100011998445 [0,2,0,0,0,0|1,0,0]=3 13594 B12R0.248 CCC(C)OCCCCCCOC 7a_200012092642_100000758301 [0,2,0,0,0,0|1,0,0]=3 13595 B12R0.248 CCC(C)OCCCOCCCN 34a_100011310245_100011215416 [0,2,0,0,0,0|2,0,0]=4 13596 B12R0.248 CCC(C)OCCCOCCOC 7a_100000210228_100011216529 [0,2,0,0,0,0|2,0,0]=4 13597 B12R0.248 CCC(C)SCCCCCCC#N 62a_100000758301_100009813337 [0,2,0,0,0,0|1,0,1]=4 13598 B12R0.248 CCC(C)SCCCCCCC#N 62a_100009813337_100000758301 [0,2,0,0,0,0|1,0,1]=4 13599 B12R0.248 CCC(C)SCCCCCCCO 62a_100000758301_100000760002 [0,2,0,0,0,0|1,0,0]=3 13600 B12R0.248 CCC(C)SCCCCCCCO 62a_100000760002_100000758301 [0,2,0,0,0,0|1,0,0]=3 13601 B12R0.248 CCC(C)SCCCCCCOC 62a_100000758301_100011998445 [0,2,0,0,0,0|1,0,0]=3 13602 B12R0.248 CCC(C)SCCCCCCOC 62a_100011998445_100000758301 [0,2,0,0,0,0|1,0,0]=3 13603 B12R0.248 CCC(C)SCCCOCCOC 62a_100000758301_100011216529 [0,2,0,0,0,0|2,0,0]=4 13604 B12R0.248 CCC(C)SCCCOCCOC 62a_100011216529_100000758301 [0,2,0,0,0,0|2,0,0]=4 13605 B12R0.248 CCC(O)CNCCCCCC#N 2230a_100011218483_100009813376 [0,2,0,0,0,0|0,0,1]=3 13606 B12R0.248 CCC(O)CNCCCCCC=O 2230a_100011218483_100000139337 [0,2,0,0,0,0|0,0,1]=3 13607 B12R0.248 CCC(O)CNCCCCCCF 2230a_100011218483_100015922095 [0,2,0,0,0,0|0,0,0]=2 13608 B12R0.248 CCC(O)CNCCCCCCO 2230a_100000686447_100011218378 [0,2,0,0,0,0|0,0,0]=2 13609 B12R0.248 CCC(O)CNCCCCCCO 2230a_100011218483_100000766143 [0,2,0,0,0,0|0,0,0]=2 13610 B12R0.248 CCC(O)CNCCCCCCO 34a_100000686447_100011218378 [0,2,0,0,0,0|0,0,0]=2 13611 B12R0.248 CCC(O)CNCCCCCOC 2230a_100000747528_100011218378 [0,2,0,0,0,0|0,0,0]=2 13612 B12R0.248 CCC(O)CNCCCCCOC 34a_100000747528_100011218378 [0,2,0,0,0,0|0,0,0]=2 13613 B12R0.248 CCC(O)CNCCCCN=[N+]=[N-] 2230a_100000101370_100011218378 [0,2,0,0,0,0|2,0,0]=4 13614 B12R0.248 CCC(O)CNCCOCCOC 2230a_100000745349_100011218378 [0,2,0,0,0,0|1,0,0]=3 13615 B12R0.248 CCC(O)CNCCOCCOC 2230a_100011218483_100000695917 [0,2,0,0,0,0|1,0,0]=3 13616 B12R0.248 CCC(O)CNCCOCCOC 34a_100000745349_100011218378 [0,2,0,0,0,0|1,0,0]=3 13617 B12R0.248 CCC(O)CNN=CCCCCO 4a_100015206393_100000031955 [0,2,0,0,0,0|1,0,1]=4 13618 B12R0.248 CCC(O)COCCCCCCBr 34a_100011215345_100011218378 [0,2,0,0,0,0|0,0,0]=2 13619 B12R0.248 CCC(O)COCCCCCCBr 7a_100011215345_100011218378 [0,2,0,0,0,0|0,0,0]=2 13620 B12R0.248 CCC(O)COCCCCCCCl 34a_100000766143_100011218378 [0,2,0,0,0,0|0,0,0]=2 13621 B12R0.248 CCC(O)COCCCCCCCl 7a_100000766143_100011218378 [0,2,0,0,0,0|0,0,0]=2 13622 B12R0.248 CCC(O)COCCCCCCF 34a_100000732779_100011218378 [0,2,0,0,0,0|0,0,0]=2 13623 B12R0.248 CCC(O)COCCCCCCF 7a_100000732779_100011218378 [0,2,0,0,0,0|0,0,0]=2 13624 B12R0.248 CCC(O)COCCCCCCN 34a_100000686447_100011218378 [0,2,0,0,0,0|0,0,0]=2 13625 B12R0.248 CCC(O)COCCCCCNC 34a_100000722520_100011218378 [0,2,0,0,0,0|0,0,0]=2 13626 B12R0.248 CCC(O)COCCOCCNC 34a_100000228057_100011218378 [0,2,0,0,0,0|1,0,0]=3 13627 B12R0.248 CCC(O)COCCOCCOC 34a_100011215163_100011218378 [0,2,0,0,0,0|1,0,0]=3 13628 B12R0.248 CCC(O)COCCOCCOC 7a_100011215163_100011218378 [0,2,0,0,0,0|1,0,0]=3 13629 B12R0.248 CCC(O)CSCCCCCC#N 62a_100009813376_100011218378 [0,2,0,0,0,0|0,0,1]=3 13630 B12R0.248 CCC(O)CSCCCCCC#N 62a_100011218378_100009813376 [0,2,0,0,0,0|0,0,1]=3 13631 B12R0.248 CCC(O)CSCCCCCC=O 62a_100000139337_100011218378 [0,2,0,0,0,0|0,0,1]=3 13632 B12R0.248 CCC(O)CSCCCCCC=O 62a_100011218378_100000139337 [0,2,0,0,0,0|0,0,1]=3 13633 B12R0.248 CCC(O)CSCCCCCCF 62a_100011218378_100015922095 [0,2,0,0,0,0|0,0,0]=2 13634 B12R0.248 CCC(O)CSCCCCCCF 62a_100015922095_100011218378 [0,2,0,0,0,0|0,0,0]=2 13635 B12R0.248 CCC(O)CSCCCCCCO 62a_100000766143_100011218378 [0,2,0,0,0,0|0,0,0]=2 13636 B12R0.248 CCC(O)CSCCCCCCO 62a_100011218378_100000766143 [0,2,0,0,0,0|0,0,0]=2 13637 B12R0.248 CCC(O)CSCCOCCOC 62a_100000695917_100011218378 [0,2,0,0,0,0|1,0,0]=3 13638 B12R0.248 CCC(O)CSCCOCCOC 62a_100011218378_100000695917 [0,2,0,0,0,0|1,0,0]=3 13639 B12R0.248 CCCC#CCCOCC(C)CC 34a_100000042726_100000748023 [0,2,0,0,0,0|1,0,1]=4 13640 B12R0.248 CCCC#CCCOCC(C)CC 7a_100000042726_100000748023 [0,2,0,0,0,0|1,0,1]=4 13641 B12R0.248 CCCC#CCCOCC(O)CC 34a_100000042726_100011218378 [0,2,0,0,0,0|0,0,1]=3 13642 B12R0.248 CCCC#CCCOCC(O)CC 7a_100000042726_100011218378 [0,2,0,0,0,0|0,0,1]=3 13643 B12R0.248 CCCC#CCCOCC(O)CO 34a_100000042726_100011219619 [0,2,0,0,0,0|1,0,1]=4 13644 B12R0.248 CCCC#CCCOCC(O)CO 7a_100000042726_100011219619 [0,2,0,0,0,0|1,0,1]=4 13645 B12R0.248 CCCC#CCCOC[C@@H](C)CC 34a_100000042726_100009816398 [0,2,0,0,0,0|1,0,1]=4 13646 B12R0.248 CCCC#CCCOC[C@@H](C)CC 7a_100000042726_100009816398 [0,2,0,0,0,0|1,0,1]=4 13647 B12R0.248 CCCC#CCCOC[C@@H](O)CF 34a_100000042726_100015614560 [0,2,0,0,0,0|1,0,1]=4 13648 B12R0.248 CCCC#CCCOC[C@@H](O)CF 7a_100000042726_100015614560 [0,2,0,0,0,0|1,0,1]=4 13649 B12R0.248 CCCC#CCCOC[C@@H](O)CO 34a_100000042726_100009815848 [0,2,0,0,0,0|1,0,1]=4 13650 B12R0.248 CCCC#CCCOC[C@@H](O)CO 7a_100000042726_100009815848 [0,2,0,0,0,0|1,0,1]=4 13651 B12R0.248 CCCC/C=C/COCC(C)CC 34a_200016272032_100000748023 [0,2,0,0,0,0|1,0,1]=4 13652 B12R0.248 CCCC/C=C/COCC(C)CC 7a_200016272032_100000748023 [0,2,0,0,0,0|1,0,1]=4 13653 B12R0.248 CCCC/C=C/COCC(O)CC 34a_200016272032_100011218378 [0,2,0,0,0,0|0,0,1]=3 13654 B12R0.248 CCCC/C=C/COCC(O)CC 7a_200016272032_100011218378 [0,2,0,0,0,0|0,0,1]=3 13655 B12R0.248 CCCC/C=C/COCC(O)CO 34a_200016272032_100011219619 [0,2,0,0,0,0|1,0,1]=4 13656 B12R0.248 CCCC/C=C/COCC(O)CO 7a_200016272032_100011219619 [0,2,0,0,0,0|1,0,1]=4 13657 B12R0.248 CCCC/C=C/COC[C@@H](C)CC 34a_200016272032_100009816398 [0,2,0,0,0,0|1,0,1]=4 13658 B12R0.248 CCCC/C=C/COC[C@@H](C)CC 7a_200016272032_100009816398 [0,2,0,0,0,0|1,0,1]=4 13659 B12R0.248 CCCC/C=C/COC[C@@H](O)CF 34a_200016272032_100015614560 [0,2,0,0,0,0|1,0,1]=4 13660 B12R0.248 CCCC/C=C/COC[C@@H](O)CF 7a_200016272032_100015614560 [0,2,0,0,0,0|1,0,1]=4 13661 B12R0.248 CCCC/C=C/COC[C@@H](O)CO 34a_200016272032_100009815848 [0,2,0,0,0,0|1,0,1]=4 13662 B12R0.248 CCCC/C=C/COC[C@@H](O)CO 7a_200016272032_100009815848 [0,2,0,0,0,0|1,0,1]=4 13663 B12R0.248 CCCC/C=C\CCOC(C)CC 34a_200016286491_100011215416 [0,2,0,0,0,0|1,0,1]=4 13664 B12R0.248 CCCC/C=C\CCOC(C)CC 7a_200016286491_100000758301 [0,2,0,0,0,0|1,0,1]=4 13665 B12R0.248 CCCCC#CCCCC(=O)CC 1458a_100000210414_200000047210 [0,2,0,0,0,0|0,0,2]=4 13666 B12R0.248 CCCCC#CCCCN(C)CC 2230a_100000225621_200000047210 [0,2,0,0,0,0|2,0,0]=4 13667 B12R0.248 CCCCC#CCCCN(C)CC 269982a_100000225621_200000047210 [0,2,0,0,0,0|2,0,0]=4 13668 B12R0.248 CCCCC#CCCOC(C)CC 34a_100000037610_100011215416 [0,2,0,0,0,0|1,0,1]=4 13669 B12R0.248 CCCCC#CCCOC(C)CC 7a_100000037610_100000758301 [0,2,0,0,0,0|1,0,1]=4 13670 B12R0.248 CCCCC#CCOCC(C)CC 34a_200000034558_100000748023 [0,2,0,0,0,0|1,0,1]=4 13671 B12R0.248 CCCCC#CCOCC(C)CC 7a_200000034558_100000748023 [0,2,0,0,0,0|1,0,1]=4 13672 B12R0.248 CCCCC#CCOCC(O)CC 34a_200000034558_100011218378 [0,2,0,0,0,0|0,0,1]=3 13673 B12R0.248 CCCCC#CCOCC(O)CC 7a_200000034558_100011218378 [0,2,0,0,0,0|0,0,1]=3 13674 B12R0.248 CCCCC#CCOCC(O)CO 34a_200000034558_100011219619 [0,2,0,0,0,0|1,0,1]=4 13675 B12R0.248 CCCCC#CCOCC(O)CO 7a_200000034558_100011219619 [0,2,0,0,0,0|1,0,1]=4 13676 B12R0.248 CCCCC#CCOC[C@@H](C)CC 34a_200000034558_100009816398 [0,2,0,0,0,0|1,0,1]=4 13677 B12R0.248 CCCCC#CCOC[C@@H](C)CC 7a_200000034558_100009816398 [0,2,0,0,0,0|1,0,1]=4 13678 B12R0.248 CCCCC#CCOC[C@@H](O)CF 34a_200000034558_100015614560 [0,2,0,0,0,0|1,0,1]=4 13679 B12R0.248 CCCCC#CCOC[C@@H](O)CF 7a_200000034558_100015614560 [0,2,0,0,0,0|1,0,1]=4 13680 B12R0.248 CCCCC#CCOC[C@@H](O)CO 34a_200000034558_100009815848 [0,2,0,0,0,0|1,0,1]=4 13681 B12R0.248 CCCCC#CCOC[C@@H](O)CO 7a_200000034558_100009815848 [0,2,0,0,0,0|1,0,1]=4 13682 B12R0.248 CCCCC/C=C/CCC(=O)CC 1458a_200015255902_100000210202 [0,2,0,0,0,0|0,0,2]=4 13683 B12R0.248 CCCCC/C=C/COC(C)CC 34a_100016258190_100011215416 [0,2,0,0,0,0|1,0,1]=4 13684 B12R0.248 CCCCC/C=C/COC(C)CC 7a_100016258190_100000758301 [0,2,0,0,0,0|1,0,1]=4 13685 B12R0.248 CCCCCC#CCNC(C)CC 2230a_100000209981_100009816472 [0,2,0,0,0,0|1,0,1]=4 13686 B12R0.248 CCCCCC#CCOC(C)CC 34a_200000033628_100011215416 [0,2,0,0,0,0|1,0,1]=4 13687 B12R0.248 CCCCCC#CCOC(C)CC 7a_100000210228_100009816472 [0,2,0,0,0,0|1,0,1]=4 13688 B12R0.248 CCCCCC#CCOC(C)CC 7a_200000033628_100000758301 [0,2,0,0,0,0|1,0,1]=4 13689 B12R0.248 CCCCCC#CCSC(C)CC 62a_100000758301_100009816472 [0,2,0,0,0,0|1,0,1]=4 13690 B12R0.248 CCCCCC#CCSC(C)CC 62a_100009816472_100000758301 [0,2,0,0,0,0|1,0,1]=4 13691 B12R0.248 CCCCCC/C=C/CC(=O)CC 1458a_100020681715_100000210202 [0,2,0,0,0,0|0,0,2]=4 13692 B12R0.248 CCCCCC=NNCC(O)CC 4a_100015206393_100000737632 [0,2,0,0,0,0|0,0,1]=3 13693 B12R0.248 CCCCCCC=NNC(C)CC 4a_100000718999_100000234349 [0,2,0,0,0,0|1,0,1]=4 13694 B12R0.248 CCCCCCCC=CC(=O)CC 1458a_200015332781_100000210202 [0,2,0,0,0,0|0,0,2]=4 13695 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210414_100000210670 [0,2,0,0,0,0|0,0,2]=4 13696 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210558_100000210202 [0,2,0,0,0,0|0,0,2]=4 13697 B12R0.248 CCCCCCCCCC(C)NC 270004a_106832991635_100011215753 [0,2,0,0,0,0|2,0,0]=4 13698 B12R0.248 CCCCCCCCCC(C)OC 34a_100011218016_200000210301 [0,2,0,0,0,0|2,0,0]=4 13699 B12R0.248 CCCCCCCCCC(C)OC 7a_100011218016_200000210301 [0,2,0,0,0,0|2,0,0]=4 13700 B12R0.248 CCCCCCCCCC(C)O[13CH3] 34a_100011218016_200025704644 [0,2,0,0,0,0|2,0,0]=4 13701 B12R0.248 CCCCCCCCCC(C)O[13CH3] 7a_100011218016_200025704644 [0,2,0,0,0,0|2,0,0]=4 13702 B12R0.248 CCCCCCCCCN(C)CC 2230a_100000225621_100011214924 [0,2,0,0,0,0|2,0,0]=4 13703 B12R0.248 CCCCCCCCCN(C)CC 2230a_100000232482_100000210202 [0,2,0,0,0,0|2,0,0]=4 13704 B12R0.248 CCCCCCCCCN(C)CC 269982a_100000225621_100000210670 [0,2,0,0,0,0|2,0,0]=4 13705 B12R0.248 CCCCCCCCCN(C)CC 269982a_100000232482_100000204670 [0,2,0,0,0,0|2,0,0]=4 13706 B12R0.248 CCCCCCCCNC(=O)CC 11a_100000229939_100000210414 [0,2,0,0,0,0|0,0,2]=4 13707 B12R0.248 CCCCCCCCNC(=O)CC 1626a_100000229939_100000210414 [0,2,0,0,0,0|0,0,2]=4 13708 B12R0.248 CCCCCCCCNC(=O)CC 240690a_100000229939_100000210414 [0,2,0,0,0,0|0,0,2]=4 13709 B12R0.248 CCCCCCCCNC(=O)CC 527a_100000229939_100000210414 [0,2,0,0,0,0|0,0,2]=4 13710 B12R0.248 CCCCCCCCNC(C)CC 2230a_100000209981_100000210759 [0,2,0,0,0,0|1,0,0]=3 13711 B12R0.248 CCCCCCCCNC(C)CC 2230a_100000229939_100000758301 [0,2,0,0,0,0|1,0,0]=3 13712 B12R0.248 CCCCCCCCNC(C)CC 34a_100000229939_100011215416 [0,2,0,0,0,0|1,0,0]=3 13713 B12R0.248 CCCCCCCCNC(C)CO 2230a_100000229939_100012180447 [0,2,0,0,0,0|2,0,0]=4 13714 B12R0.248 CCCCCCCCNC(C)CO 34a_100000229939_100012180447 [0,2,0,0,0,0|2,0,0]=4 13715 B12R0.248 CCCCCCCCN[C@H](C)CO 2230a_100000737577_100000210759 [0,2,0,0,0,0|2,0,0]=4 13716 B12R0.248 CCCCCCCCOC(C)CC 34a_100000210232_100011215416 [0,2,0,0,0,0|1,0,0]=3 13717 B12R0.248 CCCCCCCCOC(C)CC 7a_100000210228_100000210759 [0,2,0,0,0,0|1,0,0]=3 13718 B12R0.248 CCCCCCCCOC(C)CC 7a_100000210232_100000758301 [0,2,0,0,0,0|1,0,0]=3 13719 B12R0.248 CCCCCCCCOC(C)CF 34a_100016041109_100000210759 [0,2,0,0,0,0|2,0,0]=4 13720 B12R0.248 CCCCCCCCOC(C)CF 7a_100016041109_100000210759 [0,2,0,0,0,0|2,0,0]=4 13721 B12R0.248 CCCCCCCCOC(C)CN 34a_100000210904_100000210759 [0,2,0,0,0,0|2,0,0]=4 13722 B12R0.248 CCCCCCCCOC(C)CO 34a_100000210232_100012180447 [0,2,0,0,0,0|2,0,0]=4 13723 B12R0.248 CCCCCCCCOC(C)CO 7a_100000210232_100012180447 [0,2,0,0,0,0|2,0,0]=4 13724 B12R0.248 CCCCCCCCSC(C)CC 62a_100000210759_100000758301 [0,2,0,0,0,0|1,0,0]=3 13725 B12R0.248 CCCCCCCCSC(C)CC 62a_100000758301_100000210317 [0,2,0,0,0,0|1,0,0]=3 13726 B12R0.248 CCCCCCCCSC(C)CO 62a_100012180447_100000210317 [0,2,0,0,0,0|2,0,0]=4 13727 B12R0.248 CCCCCCCCSC(C)OC 62a_100000210759_100009879195 [0,2,0,0,0,0|2,0,0]=4 13728 B12R0.248 CCCCCCCCSC(C)OC 62a_100009879195_100000210317 [0,2,0,0,0,0|2,0,0]=4 13729 B12R0.248 CCCCCCCCS[C@H](C)CO 62a_100000210759_100016084084 [0,2,0,0,0,0|2,0,0]=4 13730 B12R0.248 CCCCCCCCS[C@H](C)CO 62a_100016084084_100000210317 [0,2,0,0,0,0|2,0,0]=4 13731 B12R0.248 CCCCCCCNCC(C)CC 2230a_100000229938_100000748023 [0,2,0,0,0,0|1,0,0]=3 13732 B12R0.248 CCCCCCCNCC(C)CC 2230a_100020588543_100000210681 [0,2,0,0,0,0|1,0,0]=3 13733 B12R0.248 CCCCCCCNCC(C)CC 270004a_100000229938_100000243153 [0,2,0,0,0,0|1,0,0]=3 13734 B12R0.248 CCCCCCCNCC(C)CO 34a_100000744482_100000210614 [0,2,0,0,0,0|2,0,0]=4 13735 B12R0.248 CCCCCCCNCC(O)CC 2230a_100000229938_100011218378 [0,2,0,0,0,0|0,0,0]=2 13736 B12R0.248 CCCCCCCNCC(O)CC 2230a_100011218483_100000210681 [0,2,0,0,0,0|0,0,0]=2 13737 B12R0.248 CCCCCCCNCC(O)CO 2230a_100000229938_100011219619 [0,2,0,0,0,0|1,0,0]=3 13738 B12R0.248 CCCCCCCNC[C@@H](C)CC 2230a_100000229938_100009816398 [0,2,0,0,0,0|1,0,0]=3 13739 B12R0.248 CCCCCCCNC[C@@H](C)CO 2230a_100000229938_100000059175 [0,2,0,0,0,0|2,0,0]=4 13740 B12R0.248 CCCCCCCNC[C@@H](C)OC 2230a_100020591295_100000210681 [0,2,0,0,0,0|2,0,0]=4 13741 B12R0.248 CCCCCCCNC[C@@H](F)CO 34a_100015665980_100000210614 [0,2,0,0,0,0|2,0,0]=4 13742 B12R0.248 CCCCCCCNC[C@@H](O)CF 2230a_100000229938_100015614560 [0,2,0,0,0,0|1,0,0]=3 13743 B12R0.248 CCCCCCCNC[C@@H](O)CO 2230a_100000229938_100009815848 [0,2,0,0,0,0|1,0,0]=3 13744 B12R0.248 CCCCCCCNC[C@H](O)CO 2230a_100020644852_100000210681 [0,2,0,0,0,0|1,0,0]=3 13745 B12R0.248 CCCCCCCOCC(=O)CC 34a_100000725409_100000210614 [0,2,0,0,0,0|0,0,2]=4 13746 B12R0.248 CCCCCCCOCC(=O)CC 7a_100000210272_100000747405 [0,2,0,0,0,0|0,0,2]=4 13747 B12R0.248 CCCCCCCOCC(C)CC 34a_100000210272_100000748023 [0,2,0,0,0,0|1,0,0]=3 13748 B12R0.248 CCCCCCCOCC(C)CC 7a_100000210272_100000748023 [0,2,0,0,0,0|1,0,0]=3 13749 B12R0.248 CCCCCCCOCC(C)CN 34a_100000744482_100000210614 [0,2,0,0,0,0|2,0,0]=4 13750 B12R0.248 CCCCCCCOCC(C)OC 34a_100000690652_100000210614 [0,2,0,0,0,0|2,0,0]=4 13751 B12R0.248 CCCCCCCOCC(Cl)CCl 34a_100000033668_100000210614 [0,2,0,0,0,0|2,0,0]=4 13752 B12R0.248 CCCCCCCOCC(O)CC 34a_100000210272_100011218378 [0,2,0,0,0,0|0,0,0]=2 13753 B12R0.248 CCCCCCCOCC(O)CC 7a_100000210272_100011218378 [0,2,0,0,0,0|0,0,0]=2 13754 B12R0.248 CCCCCCCOCC(O)CO 34a_100000210272_100011219619 [0,2,0,0,0,0|1,0,0]=3 13755 B12R0.248 CCCCCCCOCC(O)CO 7a_100000210272_100011219619 [0,2,0,0,0,0|1,0,0]=3 13756 B12R0.248 CCCCCCCOC[C@@H](C)CC 34a_100000210272_100009816398 [0,2,0,0,0,0|1,0,0]=3 13757 B12R0.248 CCCCCCCOC[C@@H](C)CC 7a_100000210272_100009816398 [0,2,0,0,0,0|1,0,0]=3 13758 B12R0.248 CCCCCCCOC[C@@H](C)CC 7a_100009816381_100000210614 [0,2,0,0,0,0|1,0,0]=3 13759 B12R0.248 CCCCCCCOC[C@@H](C)CO 34a_100000210272_100000059175 [0,2,0,0,0,0|2,0,0]=4 13760 B12R0.248 CCCCCCCOC[C@@H](C)CO 7a_100000210272_100000059175 [0,2,0,0,0,0|2,0,0]=4 13761 B12R0.248 CCCCCCCOC[C@@H](O)CF 34a_100000210272_100015614560 [0,2,0,0,0,0|1,0,0]=3 13762 B12R0.248 CCCCCCCOC[C@@H](O)CF 7a_100000210272_100015614560 [0,2,0,0,0,0|1,0,0]=3 13763 B12R0.248 CCCCCCCOC[C@@H](O)CO 34a_100000210272_100009815848 [0,2,0,0,0,0|1,0,0]=3 13764 B12R0.248 CCCCCCCOC[C@@H](O)CO 7a_100000210272_100009815848 [0,2,0,0,0,0|1,0,0]=3 13765 B12R0.248 CCCCCCCOC[C@H](F)CN 34a_100015665980_100000210614 [0,2,0,0,0,0|2,0,0]=4 13766 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000210614_100000747405 [0,2,0,0,0,0|0,0,2]=4 13767 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000747405_100000210316 [0,2,0,0,0,0|0,0,2]=4 13768 B12R0.248 CCCCCCCSCC(C)CC 62a_100000210614_100000748023 [0,2,0,0,0,0|1,0,0]=3 13769 B12R0.248 CCCCCCCSCC(C)CC 62a_100000748023_100000210316 [0,2,0,0,0,0|1,0,0]=3 13770 B12R0.248 CCCCCCCSCC(O)CC 62a_100000210614_100011218378 [0,2,0,0,0,0|0,0,0]=2 13771 B12R0.248 CCCCCCCSCC(O)CC 62a_100011218378_100000210316 [0,2,0,0,0,0|0,0,0]=2 13772 B12R0.248 CCCCCCCSCC(O)CO 62a_100000210614_100011219619 [0,2,0,0,0,0|1,0,0]=3 13773 B12R0.248 CCCCCCCSCC(O)CO 62a_100011219619_100000210316 [0,2,0,0,0,0|1,0,0]=3 13774 B12R0.248 CCCCCCCSC[C@@H](C)CC 62a_100000210614_100009816398 [0,2,0,0,0,0|1,0,0]=3 13775 B12R0.248 CCCCCCCSC[C@@H](C)CC 62a_100009816398_100000210316 [0,2,0,0,0,0|1,0,0]=3 13776 B12R0.248 CCCCCCCSC[C@@H](C)CO 62a_100000059175_100000210316 [0,2,0,0,0,0|2,0,0]=4 13777 B12R0.248 CCCCCCCSC[C@@H](C)CO 62a_100000210614_100000059175 [0,2,0,0,0,0|2,0,0]=4 13778 B12R0.248 CCCCCCCSC[C@@H](O)CF 62a_100000210614_100015614560 [0,2,0,0,0,0|1,0,0]=3 13779 B12R0.248 CCCCCCCSC[C@@H](O)CF 62a_100015614560_100000210316 [0,2,0,0,0,0|1,0,0]=3 13780 B12R0.248 CCCCCCCSC[C@@H](O)CO 62a_100000210614_100009815848 [0,2,0,0,0,0|1,0,0]=3 13781 B12R0.248 CCCCCCCSC[C@@H](O)CO 62a_100009815848_100000210316 [0,2,0,0,0,0|1,0,0]=3 13782 B12R0.248 CCCCCCNCCC(C)CC 2230a_100020591266_100000210314 [0,2,0,0,0,0|1,0,0]=3 13783 B12R0.248 CCCCCCNCCC(C)CO 2230a_106354213184_100000210314 [0,2,0,0,0,0|2,0,0]=4 13784 B12R0.248 CCCCCCNCCC(C)CO 34a_106354213184_100000210314 [0,2,0,0,0,0|2,0,0]=4 13785 B12R0.248 CCCCCCOCCC(C)CC 7a_100011215188_100000210314 [0,2,0,0,0,0|1,0,0]=3 13786 B12R0.248 CCCCCCOCCC(C)OC 7a_100000764861_100000210314 [0,2,0,0,0,0|2,0,0]=4 13787 B12R0.248 CCCCCNCCCN(C)CC 2230a_100000209983_100015186262 [0,2,0,0,0,0|2,0,0]=4 13788 B12R0.248 CCCCCNCCNC(=O)CC 34a_100132302217_100000718602 [0,2,0,0,0,0|0,0,2]=4 13789 B12R0.248 CCCCCNCCOC(C)CC 34a_100000224656_100011215416 [0,2,0,0,0,0|1,0,0]=3 13790 B12R0.248 CCCCCNCCOC(C)CO 34a_100000224656_100012180447 [0,2,0,0,0,0|2,0,0]=4 13791 B12R0.248 CCCCCOCCCC(C)CC 7a_100011216074_100000210326 [0,2,0,0,0,0|1,0,0]=3 13792 B12R0.248 CCCCCOCCCN(C)CC 7a_100000210253_100015186262 [0,2,0,0,0,0|2,0,0]=4 13793 B12R0.248 CCCCCOCCC[C@@H](C)CN 34a_100160569302_100000718602 [0,2,0,0,0,0|2,0,0]=4 13794 B12R0.248 CCCCCOCCNC(=O)CC 34a_200000158885_100000718602 [0,2,0,0,0,0|0,0,2]=4 13795 B12R0.248 CCCCCOCCNC(=O)CC 7a_200000158885_100000210326 [0,2,0,0,0,0|0,0,2]=4 13796 B12R0.248 CCCCCOCCOC(=O)CC 7a_200000031056_100000210326 [0,2,0,0,0,0|0,0,2]=4 13797 B12R0.248 CCCCCOCCOC(C)CC 34a_100011215259_100011215416 [0,2,0,0,0,0|1,0,0]=3 13798 B12R0.248 CCCCCOCCOC(C)CC 7a_100011215259_100000758301 [0,2,0,0,0,0|1,0,0]=3 13799 B12R0.248 CCCCCOCCOC(C)CO 34a_100011215259_100012180447 [0,2,0,0,0,0|2,0,0]=4 13800 B12R0.248 CCCCCOCCOC(C)CO 7a_100011215259_100012180447 [0,2,0,0,0,0|2,0,0]=4 13801 B12R0.248 CCCCCSCCCN(C)CC 62a_100000210326_100015186262 [0,2,0,0,0,0|2,0,0]=4 13802 B12R0.248 CCCCOCCCNC(=O)CC 1626a_200000211371_100000210414 [0,2,0,0,0,0|0,0,2]=4 13803 B12R0.248 CCCCOCCCNC(=O)CC 240690a_200000211371_100000210414 [0,2,0,0,0,0|0,0,2]=4 13804 B12R0.248 CCCCOCCCNC(=O)CC 527a_200000211371_100000210414 [0,2,0,0,0,0|0,0,2]=4 13805 B12R0.248 CCCCOCCCNC(C)CC 2230a_200000211371_100000758301 [0,2,0,0,0,0|1,0,0]=3 13806 B12R0.248 CCCCOCCCNC(C)CC 34a_200000211371_100011215416 [0,2,0,0,0,0|1,0,0]=3 13807 B12R0.248 CCCCOCCCNC(C)CO 2230a_200000211371_100012180447 [0,2,0,0,0,0|2,0,0]=4 13808 B12R0.248 CCCCOCCCNC(C)CO 34a_200000211371_100012180447 [0,2,0,0,0,0|2,0,0]=4 13809 B12R0.248 CCCCOCCCOC(C)CC 34a_200011215613_100011215416 [0,2,0,0,0,0|1,0,0]=3 13810 B12R0.248 CCCCOCCCOC(C)CC 7a_200011215613_100000758301 [0,2,0,0,0,0|1,0,0]=3 13811 B12R0.248 CCCCOCCCOC(C)CO 34a_200011215613_100012180447 [0,2,0,0,0,0|2,0,0]=4 13812 B12R0.248 CCCCOCCCOC(C)CO 7a_200011215613_100012180447 [0,2,0,0,0,0|2,0,0]=4 13813 B12R0.248 CCCCOCCNCC(C)CC 2230a_100020588543_100000743108 [0,2,0,0,0,0|1,0,0]=3 13814 B12R0.248 CCCCOCCNCC(C)CO 34a_100000744482_100000743108 [0,2,0,0,0,0|2,0,0]=4 13815 B12R0.248 CCCCOCCNCC(O)CC 2230a_100011218483_100000743108 [0,2,0,0,0,0|0,0,0]=2 13816 B12R0.248 CCCCOCCNC[C@@H](C)OC 2230a_100020591295_100000743108 [0,2,0,0,0,0|2,0,0]=4 13817 B12R0.248 CCCCOCCNC[C@@H](F)CO 34a_100015665980_100000743108 [0,2,0,0,0,0|2,0,0]=4 13818 B12R0.248 CCCCOCCNC[C@H](O)CO 2230a_100020644852_100000743108 [0,2,0,0,0,0|1,0,0]=3 13819 B12R0.248 CCCCOCCOCC(=O)CC 1458a_100011216887_100000210202 [0,2,0,0,0,0|0,0,2]=4 13820 B12R0.248 CCCCOCCOCC(=O)CC 34a_100000725409_100000743108 [0,2,0,0,0,0|0,0,2]=4 13821 B12R0.248 CCCCOCCOCC(=O)CC 7a_100000210238_100000747405 [0,2,0,0,0,0|0,0,2]=4 13822 B12R0.248 CCCCOCCOCC(C)CC 34a_100000210238_100000748023 [0,2,0,0,0,0|1,0,0]=3 13823 B12R0.248 CCCCOCCOCC(C)CC 7a_100000210238_100000748023 [0,2,0,0,0,0|1,0,0]=3 13824 B12R0.248 CCCCOCCOCC(C)CN 34a_100000744482_100000743108 [0,2,0,0,0,0|2,0,0]=4 13825 B12R0.248 CCCCOCCOCC(C)OC 34a_100000690652_100000743108 [0,2,0,0,0,0|2,0,0]=4 13826 B12R0.248 CCCCOCCOCC(Cl)CCl 34a_100000033668_100000743108 [0,2,0,0,0,0|2,0,0]=4 13827 B12R0.248 CCCCOCCOCC(O)CC 34a_100000210238_100011218378 [0,2,0,0,0,0|0,0,0]=2 13828 B12R0.248 CCCCOCCOCC(O)CC 7a_100000210238_100011218378 [0,2,0,0,0,0|0,0,0]=2 13829 B12R0.248 CCCCOCCOCC(O)CO 34a_100000210238_100011219619 [0,2,0,0,0,0|1,0,0]=3 13830 B12R0.248 CCCCOCCOCC(O)CO 7a_100000210238_100011219619 [0,2,0,0,0,0|1,0,0]=3 13831 B12R0.248 CCCCOCCOC[C@@H](C)CC 34a_100000210238_100009816398 [0,2,0,0,0,0|1,0,0]=3 13832 B12R0.248 CCCCOCCOC[C@@H](C)CC 7a_100000210238_100009816398 [0,2,0,0,0,0|1,0,0]=3 13833 B12R0.248 CCCCOCCOC[C@@H](C)CC 7a_100009816381_100000743108 [0,2,0,0,0,0|1,0,0]=3 13834 B12R0.248 CCCCOCCOC[C@@H](C)CO 34a_100000210238_100000059175 [0,2,0,0,0,0|2,0,0]=4 13835 B12R0.248 CCCCOCCOC[C@@H](C)CO 7a_100000210238_100000059175 [0,2,0,0,0,0|2,0,0]=4 13836 B12R0.248 CCCCOCCOC[C@@H](O)CF 34a_100000210238_100015614560 [0,2,0,0,0,0|1,0,0]=3 13837 B12R0.248 CCCCOCCOC[C@@H](O)CF 7a_100000210238_100015614560 [0,2,0,0,0,0|1,0,0]=3 13838 B12R0.248 CCCCOCCOC[C@@H](O)CO 34a_100000210238_100009815848 [0,2,0,0,0,0|1,0,0]=3 13839 B12R0.248 CCCCOCCOC[C@@H](O)CO 7a_100000210238_100009815848 [0,2,0,0,0,0|1,0,0]=3 13840 B12R0.248 CCCCOCCOC[C@H](F)CN 34a_100015665980_100000743108 [0,2,0,0,0,0|2,0,0]=4 13841 B12R0.248 CCCCOCCSCC(=O)CC 62a_100000743108_100000747405 [0,2,0,0,0,0|0,0,2]=4 13842 B12R0.248 CCCCOCCSCC(=O)CC 62a_100000747405_100000743108 [0,2,0,0,0,0|0,0,2]=4 13843 B12R0.248 CCCCOCCSCC(C)CC 62a_100000743108_100000748023 [0,2,0,0,0,0|1,0,0]=3 13844 B12R0.248 CCCCOCCSCC(C)CC 62a_100000748023_100000743108 [0,2,0,0,0,0|1,0,0]=3 13845 B12R0.248 CCCCOCCSCC(O)CC 62a_100000743108_100011218378 [0,2,0,0,0,0|0,0,0]=2 13846 B12R0.248 CCCCOCCSCC(O)CC 62a_100011218378_100000743108 [0,2,0,0,0,0|0,0,0]=2 13847 B12R0.248 CCCCOCCSCC(O)CO 62a_100000743108_100011219619 [0,2,0,0,0,0|1,0,0]=3 13848 B12R0.248 CCCCOCCSCC(O)CO 62a_100011219619_100000743108 [0,2,0,0,0,0|1,0,0]=3 13849 B12R0.248 CCCCOCCSC[C@@H](C)CC 62a_100000743108_100009816398 [0,2,0,0,0,0|1,0,0]=3 13850 B12R0.248 CCCCOCCSC[C@@H](C)CC 62a_100009816398_100000743108 [0,2,0,0,0,0|1,0,0]=3 13851 B12R0.248 CCCCOCCSC[C@@H](C)CO 62a_100000059175_100000743108 [0,2,0,0,0,0|2,0,0]=4 13852 B12R0.248 CCCCOCCSC[C@@H](C)CO 62a_100000743108_100000059175 [0,2,0,0,0,0|2,0,0]=4 13853 B12R0.248 CCCCOCCSC[C@@H](O)CF 62a_100000743108_100015614560 [0,2,0,0,0,0|1,0,0]=3 13854 B12R0.248 CCCCOCCSC[C@@H](O)CF 62a_100015614560_100000743108 [0,2,0,0,0,0|1,0,0]=3 13855 B12R0.248 CCCCOCCSC[C@@H](O)CO 62a_100000743108_100009815848 [0,2,0,0,0,0|1,0,0]=3 13856 B12R0.248 CCCCOCCSC[C@@H](O)CO 62a_100009815848_100000743108 [0,2,0,0,0,0|1,0,0]=3 13857 B12R0.248 CCCCOCNCCC(C)CC 2230a_100020591266_100011995733 [0,2,0,0,0,0|1,0,0]=3 13858 B12R0.248 CCCCOCNCCC(C)CO 2230a_106354213184_100011995733 [0,2,0,0,0,0|2,0,0]=4 13859 B12R0.248 CCCCOCNCCC(C)CO 34a_106354213184_100011995733 [0,2,0,0,0,0|2,0,0]=4 13860 B12R0.248 CCCCSCCNCC(C)CC 2230a_100025743550_100000748023 [0,2,0,0,0,0|1,0,0]=3 13861 B12R0.248 CCCCSCCNCC(C)CC 270004a_100025743550_100000243153 [0,2,0,0,0,0|1,0,0]=3 13862 B12R0.248 CCCCSCCNCC(O)CC 2230a_100025743550_100011218378 [0,2,0,0,0,0|0,0,0]=2 13863 B12R0.248 CCCCSCCNCC(O)CO 2230a_100025743550_100011219619 [0,2,0,0,0,0|1,0,0]=3 13864 B12R0.248 CCCCSCCNC[C@@H](C)CC 2230a_100025743550_100009816398 [0,2,0,0,0,0|1,0,0]=3 13865 B12R0.248 CCCCSCCNC[C@@H](C)CO 2230a_100025743550_100000059175 [0,2,0,0,0,0|2,0,0]=4 13866 B12R0.248 CCCCSCCNC[C@@H](O)CF 2230a_100025743550_100015614560 [0,2,0,0,0,0|1,0,0]=3 13867 B12R0.248 CCCCSCCNC[C@@H](O)CO 2230a_100025743550_100009815848 [0,2,0,0,0,0|1,0,0]=3 13868 B12R0.248 CCCCSCCOCC(=O)CC 7a_200000230436_100000747405 [0,2,0,0,0,0|0,0,2]=4 13869 B12R0.248 CCCCSCCOCC(C)CC 34a_200000230436_100000748023 [0,2,0,0,0,0|1,0,0]=3 13870 B12R0.248 CCCCSCCOCC(C)CC 7a_200000230436_100000748023 [0,2,0,0,0,0|1,0,0]=3 13871 B12R0.248 CCCCSCCOCC(O)CC 34a_200000230436_100011218378 [0,2,0,0,0,0|0,0,0]=2 13872 B12R0.248 CCCCSCCOCC(O)CC 7a_200000230436_100011218378 [0,2,0,0,0,0|0,0,0]=2 13873 B12R0.248 CCCCSCCOCC(O)CO 34a_200000230436_100011219619 [0,2,0,0,0,0|1,0,0]=3 13874 B12R0.248 CCCCSCCOCC(O)CO 7a_200000230436_100011219619 [0,2,0,0,0,0|1,0,0]=3 13875 B12R0.248 CCCCSCCOC[C@@H](C)CC 34a_200000230436_100009816398 [0,2,0,0,0,0|1,0,0]=3 13876 B12R0.248 CCCCSCCOC[C@@H](C)CC 7a_200000230436_100009816398 [0,2,0,0,0,0|1,0,0]=3 13877 B12R0.248 CCCCSCCOC[C@@H](C)CO 34a_200000230436_100000059175 [0,2,0,0,0,0|2,0,0]=4 13878 B12R0.248 CCCCSCCOC[C@@H](C)CO 7a_200000230436_100000059175 [0,2,0,0,0,0|2,0,0]=4 13879 B12R0.248 CCCCSCCOC[C@@H](O)CF 34a_200000230436_100015614560 [0,2,0,0,0,0|1,0,0]=3 13880 B12R0.248 CCCCSCCOC[C@@H](O)CF 7a_200000230436_100015614560 [0,2,0,0,0,0|1,0,0]=3 13881 B12R0.248 CCCCSCCOC[C@@H](O)CO 34a_200000230436_100009815848 [0,2,0,0,0,0|1,0,0]=3 13882 B12R0.248 CCCCSCCOC[C@@H](O)CO 7a_200000230436_100009815848 [0,2,0,0,0,0|1,0,0]=3 13883 B12R0.248 CCCOCCCCCC(C)CC 7a_200000035636_100000210303 [0,2,0,0,0,0|1,0,0]=3 13884 B12R0.248 CCCOCCCNCC(C)CC 2230a_100011217757_100000748023 [0,2,0,0,0,0|1,0,0]=3 13885 B12R0.248 CCCOCCCNCC(C)CC 270004a_100011217757_100000243153 [0,2,0,0,0,0|1,0,0]=3 13886 B12R0.248 CCCOCCCNCC(C)CC 34a_100011217757_100000748023 [0,2,0,0,0,0|1,0,0]=3 13887 B12R0.248 CCCOCCCNCC(O)CC 2230a_100011217757_100011218378 [0,2,0,0,0,0|0,0,0]=2 13888 B12R0.248 CCCOCCCNCC(O)CC 34a_100011217757_100011218378 [0,2,0,0,0,0|0,0,0]=2 13889 B12R0.248 CCCOCCCNCC(O)CO 2230a_100011217757_100011219619 [0,2,0,0,0,0|1,0,0]=3 13890 B12R0.248 CCCOCCCNCC(O)CO 34a_100011217757_100011219619 [0,2,0,0,0,0|1,0,0]=3 13891 B12R0.248 CCCOCCCNC[C@@H](C)CC 2230a_100011217757_100009816398 [0,2,0,0,0,0|1,0,0]=3 13892 B12R0.248 CCCOCCCNC[C@@H](C)CC 34a_100011217757_100009816398 [0,2,0,0,0,0|1,0,0]=3 13893 B12R0.248 CCCOCCCNC[C@@H](C)CO 2230a_100011217757_100000059175 [0,2,0,0,0,0|2,0,0]=4 13894 B12R0.248 CCCOCCCNC[C@@H](C)CO 34a_100011217757_100000059175 [0,2,0,0,0,0|2,0,0]=4 13895 B12R0.248 CCCOCCCNC[C@@H](O)CF 2230a_100011217757_100015614560 [0,2,0,0,0,0|1,0,0]=3 13896 B12R0.248 CCCOCCCNC[C@@H](O)CF 34a_100011217757_100015614560 [0,2,0,0,0,0|1,0,0]=3 13897 B12R0.248 CCCOCCCNC[C@@H](O)CO 2230a_100011217757_100009815848 [0,2,0,0,0,0|1,0,0]=3 13898 B12R0.248 CCCOCCCNC[C@@H](O)CO 34a_100011217757_100009815848 [0,2,0,0,0,0|1,0,0]=3 13899 B12R0.248 CCCOCCNCCC(C)CC 2230a_100020591266_100011215938 [0,2,0,0,0,0|1,0,0]=3 13900 B12R0.248 CCCOCCNCCC(C)CO 2230a_106354213184_100011215938 [0,2,0,0,0,0|2,0,0]=4 13901 B12R0.248 CCCOCCNCCC(C)CO 34a_106354213184_100011215938 [0,2,0,0,0,0|2,0,0]=4 13902 B12R0.248 CCCOCCOCCC(C)CC 7a_100011215188_100011215938 [0,2,0,0,0,0|1,0,0]=3 13903 B12R0.248 CCCOCCOCCC(C)OC 7a_100000764861_100011215938 [0,2,0,0,0,0|2,0,0]=4 13904 B12R0.248 CCN(C)CCCCCCCCO 2230a_100000225621_100000033203 [0,2,0,0,0,0|2,0,0]=4 13905 B12R0.248 CCN(C)CCCCCCCCO 269982a_100000225621_100000033203 [0,2,0,0,0,0|2,0,0]=4 13906 B12R0.248 CCN(C)CCCNCCCCO 2230a_100000750430_100015186262 [0,2,0,0,0,0|2,0,0]=4 13907 B12R0.248 CCN(C)CCCNCCCSC 2230a_100000749238_100015186262 [0,2,0,0,0,0|2,0,0]=4 13908 B12R0.248 CCN(C)CCCOCCCCCl 7a_100000210776_100015186262 [0,2,0,0,0,0|2,0,0]=4 13909 B12R0.248 CCN(C)CCCOCCCCF 7a_100011995726_100015186262 [0,2,0,0,0,0|2,0,0]=4 13910 B12R0.248 CCN(C)CCCOCCCSC 7a_100000690336_100015186262 [0,2,0,0,0,0|2,0,0]=4 13911 B12R0.248 CCN(C)CCCSCCCCF 62a_100000729493_100015186262 [0,2,0,0,0,0|2,0,0]=4 13912 B12R0.248 CCN(C)CCCSCCCCO 62a_100000210776_100015186262 [0,2,0,0,0,0|2,0,0]=4 13913 B12R0.248 CCN(C)CCCSCCCOC 62a_100000709357_100015186262 [0,2,0,0,0,0|2,0,0]=4 13914 B12R0.248 CCOCCCNCCC(C)CC 2230a_100020591266_100012232248 [0,2,0,0,0,0|1,0,0]=3 13915 B12R0.248 CCOCCCNCCC(C)CO 2230a_106354213184_100012232248 [0,2,0,0,0,0|2,0,0]=4 13916 B12R0.248 CCOCCCNCCC(C)CO 34a_106354213184_100012232248 [0,2,0,0,0,0|2,0,0]=4 13917 B12R0.248 CCOCCCOCCC(C)CC 7a_100011215188_100012232248 [0,2,0,0,0,0|1,0,0]=3 13918 B12R0.248 CCOCCCOCCC(C)OC 7a_100000764861_100012232248 [0,2,0,0,0,0|2,0,0]=4 13919 B12R0.248 CCOCCNCCCN(C)CC 2230a_102516460346_100015186262 [0,2,0,0,0,0|2,0,0]=4 13920 B12R0.248 CCOCCOCCCC(C)CC 7a_100011216074_100011215890 [0,2,0,0,0,0|1,0,0]=3 13921 B12R0.248 CCOCCOCCCN(C)CC 7a_100000210136_100015186262 [0,2,0,0,0,0|2,0,0]=4 13922 B12R0.248 CCOCCOCCC[C@@H](C)CN 34a_100160569302_100000210147 [0,2,0,0,0,0|2,0,0]=4 13923 B12R0.248 CCOCCOCCNC(C)CC 2230a_100000209981_100011211534 [0,2,0,0,0,0|2,0,0]=4 13924 B12R0.248 CCOCCOCCNC(C)CC 2230a_100102712874_100000758301 [0,2,0,0,0,0|2,0,0]=4 13925 B12R0.248 CCOCCOCCNC(C)CC 34a_100102712874_100011215416 [0,2,0,0,0,0|2,0,0]=4 13926 B12R0.248 CCOCCOCCOC(C)CC 34a_100000210240_100011215416 [0,2,0,0,0,0|2,0,0]=4 13927 B12R0.248 CCOCCOCCOC(C)CC 7a_100000210228_100011211534 [0,2,0,0,0,0|2,0,0]=4 13928 B12R0.248 CCOCCOCCOC(C)CC 7a_100000210240_100000758301 [0,2,0,0,0,0|2,0,0]=4 13929 B12R0.248 CCOCCOCCSC(C)CC 62a_100000758301_100011211534 [0,2,0,0,0,0|2,0,0]=4 13930 B12R0.248 CCOCCOCCSC(C)CC 62a_100011211534_100000758301 [0,2,0,0,0,0|2,0,0]=4 13931 B12R0.248 CCOCCSCCCN(C)CC 62a_100000210147_100015186262 [0,2,0,0,0,0|2,0,0]=4 13932 B12R0.248 CCSCCNCCCN(C)CC 2230a_100000106463_100015186262 [0,2,0,0,0,0|2,0,0]=4 13933 B12R0.248 CCSCCOCCCC(C)CC 7a_100011216074_100000757381 [0,2,0,0,0,0|1,0,0]=3 13934 B12R0.248 CCSCCOCCCN(C)CC 7a_100000212035_100015186262 [0,2,0,0,0,0|2,0,0]=4 13935 B12R0.248 CCSCCOCCC[C@@H](C)CN 34a_100160569302_100000757381 [0,2,0,0,0,0|2,0,0]=4 13936 B12R0.248 CCSCCSCCCN(C)CC 62a_100000757381_100015186262 [0,2,0,0,0,0|2,0,0]=4 13937 B12R0.248 CC[C@H](C)CNCCCCCCO 2230a_100000686447_100009816398 [0,2,0,0,0,0|1,0,0]=3 13938 B12R0.248 CC[C@H](C)CNCCCCCCO 34a_100000686447_100009816398 [0,2,0,0,0,0|1,0,0]=3 13939 B12R0.248 CC[C@H](C)CNCCCCCOC 2230a_100000747528_100009816398 [0,2,0,0,0,0|1,0,0]=3 13940 B12R0.248 CC[C@H](C)CNCCCCCOC 34a_100000747528_100009816398 [0,2,0,0,0,0|1,0,0]=3 13941 B12R0.248 CC[C@H](C)CNCCOCCOC 2230a_100000745349_100009816398 [0,2,0,0,0,0|2,0,0]=4 13942 B12R0.248 CC[C@H](C)CNCCOCCOC 34a_100000745349_100009816398 [0,2,0,0,0,0|2,0,0]=4 13943 B12R0.248 CC[C@H](C)COCCCCCC#N 7a_100009816381_100009813376 [0,2,0,0,0,0|1,0,1]=4 13944 B12R0.248 CC[C@H](C)COCCCCCC=O 7a_100009816381_100000139337 [0,2,0,0,0,0|1,0,1]=4 13945 B12R0.248 CC[C@H](C)COCCCCCCBr 34a_100011215345_100009816398 [0,2,0,0,0,0|1,0,0]=3 13946 B12R0.248 CC[C@H](C)COCCCCCCBr 7a_100011215345_100009816398 [0,2,0,0,0,0|1,0,0]=3 13947 B12R0.248 CC[C@H](C)COCCCCCCCl 34a_100000766143_100009816398 [0,2,0,0,0,0|1,0,0]=3 13948 B12R0.248 CC[C@H](C)COCCCCCCCl 7a_100000766143_100009816398 [0,2,0,0,0,0|1,0,0]=3 13949 B12R0.248 CC[C@H](C)COCCCCCCF 34a_100000732779_100009816398 [0,2,0,0,0,0|1,0,0]=3 13950 B12R0.248 CC[C@H](C)COCCCCCCF 7a_100000732779_100009816398 [0,2,0,0,0,0|1,0,0]=3 13951 B12R0.248 CC[C@H](C)COCCCCCCF 7a_100009816381_100015922095 [0,2,0,0,0,0|1,0,0]=3 13952 B12R0.248 CC[C@H](C)COCCCCCCN 34a_100000686447_100009816398 [0,2,0,0,0,0|1,0,0]=3 13953 B12R0.248 CC[C@H](C)COCCCCCCO 7a_100009816381_100000766143 [0,2,0,0,0,0|1,0,0]=3 13954 B12R0.248 CC[C@H](C)COCCCCCNC 34a_100000722520_100009816398 [0,2,0,0,0,0|1,0,0]=3 13955 B12R0.248 CC[C@H](C)COCCOCCNC 34a_100000228057_100009816398 [0,2,0,0,0,0|2,0,0]=4 13956 B12R0.248 CC[C@H](C)COCCOCCOC 34a_100011215163_100009816398 [0,2,0,0,0,0|2,0,0]=4 13957 B12R0.248 CC[C@H](C)COCCOCCOC 7a_100009816381_100000695917 [0,2,0,0,0,0|2,0,0]=4 13958 B12R0.248 CC[C@H](C)COCCOCCOC 7a_100011215163_100009816398 [0,2,0,0,0,0|2,0,0]=4 13959 B12R0.248 CC[C@H](C)CSCCCCCC#N 62a_100009813376_100009816398 [0,2,0,0,0,0|1,0,1]=4 13960 B12R0.248 CC[C@H](C)CSCCCCCC#N 62a_100009816398_100009813376 [0,2,0,0,0,0|1,0,1]=4 13961 B12R0.248 CC[C@H](C)CSCCCCCC=O 62a_100000139337_100009816398 [0,2,0,0,0,0|1,0,1]=4 13962 B12R0.248 CC[C@H](C)CSCCCCCC=O 62a_100009816398_100000139337 [0,2,0,0,0,0|1,0,1]=4 13963 B12R0.248 CC[C@H](C)CSCCCCCCF 62a_100009816398_100015922095 [0,2,0,0,0,0|1,0,0]=3 13964 B12R0.248 CC[C@H](C)CSCCCCCCF 62a_100015922095_100009816398 [0,2,0,0,0,0|1,0,0]=3 13965 B12R0.248 CC[C@H](C)CSCCCCCCO 62a_100000766143_100009816398 [0,2,0,0,0,0|1,0,0]=3 13966 B12R0.248 CC[C@H](C)CSCCCCCCO 62a_100009816398_100000766143 [0,2,0,0,0,0|1,0,0]=3 13967 B12R0.248 CC[C@H](C)CSCCOCCOC 62a_100000695917_100009816398 [0,2,0,0,0,0|2,0,0]=4 13968 B12R0.248 CC[C@H](C)CSCCOCCOC 62a_100009816398_100000695917 [0,2,0,0,0,0|2,0,0]=4 13969 B12R0.248 CNCCCCCOCC(O)CO 34a_100000722520_100011219619 [0,2,0,0,0,0|1,0,0]=3 13970 B12R0.248 CNCCCCCOC[C@@H](C)CO 34a_100000722520_100000059175 [0,2,0,0,0,0|2,0,0]=4 13971 B12R0.248 CNCCCCCOC[C@@H](O)CF 34a_100000722520_100015614560 [0,2,0,0,0,0|1,0,0]=3 13972 B12R0.248 CNCCCCCOC[C@@H](O)CO 34a_100000722520_100009815848 [0,2,0,0,0,0|1,0,0]=3 13973 B12R0.248 CNCCOCCOCC(O)CO 34a_100000228057_100011219619 [0,2,0,0,0,0|2,0,0]=4 13974 B12R0.248 CNCCOCCOC[C@@H](O)CF 34a_100000228057_100015614560 [0,2,0,0,0,0|2,0,0]=4 13975 B12R0.248 CNCCOCCOC[C@@H](O)CO 34a_100000228057_100009815848 [0,2,0,0,0,0|2,0,0]=4 13976 B12R0.248 COC(C)CCOCCCCCF 7a_100000764861_100000729378 [0,2,0,0,0,0|2,0,0]=4 13977 B12R0.248 COC(C)CCOCCCCCO 7a_100000764861_100000746330 [0,2,0,0,0,0|2,0,0]=4 13978 B12R0.248 COC(C)COCCCCCCF 34a_100000690652_100015922095 [0,2,0,0,0,0|2,0,0]=4 13979 B12R0.248 COC(C)COCCCCCCO 34a_100000690652_100000766143 [0,2,0,0,0,0|2,0,0]=4 13980 B12R0.248 COC(C)SCCCCCCCO 62a_100000760002_100009879195 [0,2,0,0,0,0|2,0,0]=4 13981 B12R0.248 COC(C)SCCCCCCCO 62a_100009879195_100000760002 [0,2,0,0,0,0|2,0,0]=4 13982 B12R0.248 COCCCCCCN[C@H](C)CO 2230a_100000737577_100011998445 [0,2,0,0,0,0|2,0,0]=4 13983 B12R0.248 COCCCCCCOC(C)CF 34a_100016041109_100011998445 [0,2,0,0,0,0|2,0,0]=4 13984 B12R0.248 COCCCCCCOC(C)CF 7a_100016041109_100011998445 [0,2,0,0,0,0|2,0,0]=4 13985 B12R0.248 COCCCCCCOC(C)CN 34a_100000210904_100011998445 [0,2,0,0,0,0|2,0,0]=4 13986 B12R0.248 COCCCCCCOC(C)CO 34a_200012092642_100012180447 [0,2,0,0,0,0|2,0,0]=4 13987 B12R0.248 COCCCCCCOC(C)CO 7a_200012092642_100012180447 [0,2,0,0,0,0|2,0,0]=4 13988 B12R0.248 COCCCCCCSC(C)CO 62a_100012180447_100011998445 [0,2,0,0,0,0|2,0,0]=4 13989 B12R0.248 COCCCCCCSC(C)OC 62a_100009879195_100011998445 [0,2,0,0,0,0|2,0,0]=4 13990 B12R0.248 COCCCCCCSC(C)OC 62a_100011998445_100009879195 [0,2,0,0,0,0|2,0,0]=4 13991 B12R0.248 COCCCCCCS[C@H](C)CO 62a_100011998445_100016084084 [0,2,0,0,0,0|2,0,0]=4 13992 B12R0.248 COCCCCCCS[C@H](C)CO 62a_100016084084_100011998445 [0,2,0,0,0,0|2,0,0]=4 13993 B12R0.248 COCCCCCNCC(O)CO 2230a_100000747528_100011219619 [0,2,0,0,0,0|1,0,0]=3 13994 B12R0.248 COCCCCCNCC(O)CO 34a_100000747528_100011219619 [0,2,0,0,0,0|1,0,0]=3 13995 B12R0.248 COCCCCCNC[C@@H](C)CO 2230a_100000747528_100000059175 [0,2,0,0,0,0|2,0,0]=4 13996 B12R0.248 COCCCCCNC[C@@H](C)CO 34a_100000747528_100000059175 [0,2,0,0,0,0|2,0,0]=4 13997 B12R0.248 COCCCCCNC[C@@H](O)CF 2230a_100000747528_100015614560 [0,2,0,0,0,0|1,0,0]=3 13998 B12R0.248 COCCCCCNC[C@@H](O)CF 34a_100000747528_100015614560 [0,2,0,0,0,0|1,0,0]=3 13999 B12R0.248 COCCCCCNC[C@@H](O)CO 2230a_100000747528_100009815848 [0,2,0,0,0,0|1,0,0]=3 14000 B12R0.248 COCCCCCNC[C@@H](O)CO 34a_100000747528_100009815848 [0,2,0,0,0,0|1,0,0]=3 14001 B12R0.248 COCCCCNCCC(C)CO 2230a_106354213184_100000730899 [0,2,0,0,0,0|2,0,0]=4 14002 B12R0.248 COCCCCNCCC(C)CO 34a_106354213184_100000755781 [0,2,0,0,0,0|2,0,0]=4 14003 B12R0.248 COCCCCOCCC(C)OC 7a_100000764861_100000730899 [0,2,0,0,0,0|2,0,0]=4 14004 B12R0.248 COCCCOCCC[C@@H](C)CN 34a_100160569302_100000740836 [0,2,0,0,0,0|2,0,0]=4 14005 B12R0.248 COCCOCCNCC(O)CO 2230a_100000745349_100011219619 [0,2,0,0,0,0|2,0,0]=4 14006 B12R0.248 COCCOCCNCC(O)CO 34a_100000745349_100011219619 [0,2,0,0,0,0|2,0,0]=4 14007 B12R0.248 COCCOCCNC[C@@H](O)CF 2230a_100000745349_100015614560 [0,2,0,0,0,0|2,0,0]=4 14008 B12R0.248 COCCOCCNC[C@@H](O)CF 34a_100000745349_100015614560 [0,2,0,0,0,0|2,0,0]=4 14009 B12R0.248 COCCOCCNC[C@@H](O)CO 2230a_100000745349_100009815848 [0,2,0,0,0,0|2,0,0]=4 14010 B12R0.248 COCCOCCNC[C@@H](O)CO 34a_100000745349_100009815848 [0,2,0,0,0,0|2,0,0]=4 14011 B12R0.248 COCCOCCNC[C@H](O)CO 2230a_100020644852_100000695917 [0,2,0,0,0,0|2,0,0]=4 14012 B12R0.248 COCCOCCOCC(O)CO 34a_100011215163_100011219619 [0,2,0,0,0,0|2,0,0]=4 14013 B12R0.248 COCCOCCOCC(O)CO 7a_100011215163_100011219619 [0,2,0,0,0,0|2,0,0]=4 14014 B12R0.248 COCCOCCOC[C@@H](O)CF 34a_100011215163_100015614560 [0,2,0,0,0,0|2,0,0]=4 14015 B12R0.248 COCCOCCOC[C@@H](O)CF 7a_100011215163_100015614560 [0,2,0,0,0,0|2,0,0]=4 14016 B12R0.248 COCCOCCOC[C@@H](O)CO 34a_100011215163_100009815848 [0,2,0,0,0,0|2,0,0]=4 14017 B12R0.248 COCCOCCOC[C@@H](O)CO 7a_100011215163_100009815848 [0,2,0,0,0,0|2,0,0]=4 14018 B12R0.248 COCCOCCSCC(O)CO 62a_100000695917_100011219619 [0,2,0,0,0,0|2,0,0]=4 14019 B12R0.248 COCCOCCSCC(O)CO 62a_100011219619_100000695917 [0,2,0,0,0,0|2,0,0]=4 14020 B12R0.248 COCCOCCSC[C@@H](O)CF 62a_100000695917_100015614560 [0,2,0,0,0,0|2,0,0]=4 14021 B12R0.248 COCCOCCSC[C@@H](O)CF 62a_100015614560_100000695917 [0,2,0,0,0,0|2,0,0]=4 14022 B12R0.248 COCCOCCSC[C@@H](O)CO 62a_100000695917_100009815848 [0,2,0,0,0,0|2,0,0]=4 14023 B12R0.248 COCCOCCSC[C@@H](O)CO 62a_100009815848_100000695917 [0,2,0,0,0,0|2,0,0]=4 14024 B12R0.248 CO[C@H](C)CNCCCCCCF 2230a_100020591295_100015922095 [0,2,0,0,0,0|2,0,0]=4 14025 B12R0.248 CO[C@H](C)CNCCCCCCO 2230a_100020591295_100000766143 [0,2,0,0,0,0|2,0,0]=4 14026 B12R0.248 C[C@@H](CN)CCCOCCCCF 34a_100160569302_100000729493 [0,2,0,0,0,0|2,0,0]=4 14027 B12R0.248 C[C@@H](CN)CCCOCCCCO 34a_100160569302_100011216708 [0,2,0,0,0,0|2,0,0]=4 14028 B12R0.248 C[C@@H](CO)CNCCCCCCO 2230a_100000686447_100000059175 [0,2,0,0,0,0|2,0,0]=4 14029 B12R0.248 C[C@@H](CO)CNCCCCCCO 34a_100000686447_100000059175 [0,2,0,0,0,0|2,0,0]=4 14030 B12R0.248 C[C@@H](CO)COCCCCCCBr 34a_100011215345_100000059175 [0,2,0,0,0,0|2,0,0]=4 14031 B12R0.248 C[C@@H](CO)COCCCCCCBr 7a_100011215345_100000059175 [0,2,0,0,0,0|2,0,0]=4 14032 B12R0.248 C[C@@H](CO)COCCCCCCCl 34a_100000766143_100000059175 [0,2,0,0,0,0|2,0,0]=4 14033 B12R0.248 C[C@@H](CO)COCCCCCCCl 7a_100000766143_100000059175 [0,2,0,0,0,0|2,0,0]=4 14034 B12R0.248 C[C@@H](CO)COCCCCCCF 34a_100000732779_100000059175 [0,2,0,0,0,0|2,0,0]=4 14035 B12R0.248 C[C@@H](CO)COCCCCCCF 7a_100000732779_100000059175 [0,2,0,0,0,0|2,0,0]=4 14036 B12R0.248 C[C@@H](CO)COCCCCCCN 34a_100000686447_100000059175 [0,2,0,0,0,0|2,0,0]=4 14037 B12R0.248 C[C@@H](CO)CSCCCCCCF 62a_100000059175_100015922095 [0,2,0,0,0,0|2,0,0]=4 14038 B12R0.248 C[C@@H](CO)CSCCCCCCF 62a_100015922095_100000059175 [0,2,0,0,0,0|2,0,0]=4 14039 B12R0.248 C[C@@H](CO)CSCCCCCCO 62a_100000059175_100000766143 [0,2,0,0,0,0|2,0,0]=4 14040 B12R0.248 C[C@@H](CO)CSCCCCCCO 62a_100000766143_100000059175 [0,2,0,0,0,0|2,0,0]=4 14041 B12R0.248 C[C@H](CO)NCCCCCCCO 2230a_100000737577_100000760002 [0,2,0,0,0,0|2,0,0]=4 14042 B12R0.248 C[C@H](CO)SCCCCCCCO 62a_100000760002_100016084084 [0,2,0,0,0,0|2,0,0]=4 14043 B12R0.248 C[C@H](CO)SCCCCCCCO 62a_100016084084_100000760002 [0,2,0,0,0,0|2,0,0]=4 14044 B12R0.248 FCCCCCCOCC(Cl)CCl 34a_100000033668_100015922095 [0,2,0,0,0,0|2,0,0]=4 14045 B12R0.248 N#CCCCCCNC[C@H](O)CO 2230a_100020644852_100009813376 [0,2,0,0,0,0|1,0,1]=4 14046 B12R0.248 N#CCCCCCSCC(O)CO 62a_100009813376_100011219619 [0,2,0,0,0,0|1,0,1]=4 14047 B12R0.248 N#CCCCCCSCC(O)CO 62a_100011219619_100009813376 [0,2,0,0,0,0|1,0,1]=4 14048 B12R0.248 N#CCCCCCSC[C@@H](O)CF 62a_100009813376_100015614560 [0,2,0,0,0,0|1,0,1]=4 14049 B12R0.248 N#CCCCCCSC[C@@H](O)CF 62a_100015614560_100009813376 [0,2,0,0,0,0|1,0,1]=4 14050 B12R0.248 N#CCCCCCSC[C@@H](O)CO 62a_100009813376_100009815848 [0,2,0,0,0,0|1,0,1]=4 14051 B12R0.248 N#CCCCCCSC[C@@H](O)CO 62a_100009815848_100009813376 [0,2,0,0,0,0|1,0,1]=4 14052 B12R0.248 NCCCCCCOCC(O)CO 34a_100000686447_100011219619 [0,2,0,0,0,0|1,0,0]=3 14053 B12R0.248 NCCCCCCOC[C@@H](O)CF 34a_100000686447_100015614560 [0,2,0,0,0,0|1,0,0]=3 14054 B12R0.248 NCCCCCCOC[C@@H](O)CO 34a_100000686447_100009815848 [0,2,0,0,0,0|1,0,0]=3 14055 B12R0.248 NC[C@@H](F)COCCCCCCF 34a_100015665980_100015922095 [0,2,0,0,0,0|2,0,0]=4 14056 B12R0.248 NC[C@@H](F)COCCCCCCO 34a_100015665980_100000766143 [0,2,0,0,0,0|2,0,0]=4 14057 B12R0.248 O=CCCCCCNC[C@H](O)CO 2230a_100020644852_100000139337 [0,2,0,0,0,0|1,0,1]=4 14058 B12R0.248 O=CCCCCCSCC(O)CO 62a_100000139337_100011219619 [0,2,0,0,0,0|1,0,1]=4 14059 B12R0.248 O=CCCCCCSCC(O)CO 62a_100011219619_100000139337 [0,2,0,0,0,0|1,0,1]=4 14060 B12R0.248 O=CCCCCCSC[C@@H](O)CF 62a_100000139337_100015614560 [0,2,0,0,0,0|1,0,1]=4 14061 B12R0.248 O=CCCCCCSC[C@@H](O)CF 62a_100015614560_100000139337 [0,2,0,0,0,0|1,0,1]=4 14062 B12R0.248 O=CCCCCCSC[C@@H](O)CO 62a_100000139337_100009815848 [0,2,0,0,0,0|1,0,1]=4 14063 B12R0.248 O=CCCCCCSC[C@@H](O)CO 62a_100009815848_100000139337 [0,2,0,0,0,0|1,0,1]=4 14064 B12R0.248 OCC(O)COCCCCCCBr 34a_100011215345_100011219619 [0,2,0,0,0,0|1,0,0]=3 14065 B12R0.248 OCC(O)COCCCCCCBr 7a_100011215345_100011219619 [0,2,0,0,0,0|1,0,0]=3 14066 B12R0.248 OCC(O)COCCCCCCCl 34a_100000766143_100011219619 [0,2,0,0,0,0|1,0,0]=3 14067 B12R0.248 OCC(O)COCCCCCCCl 7a_100000766143_100011219619 [0,2,0,0,0,0|1,0,0]=3 14068 B12R0.248 OCC(O)COCCCCCCF 34a_100000732779_100011219619 [0,2,0,0,0,0|1,0,0]=3 14069 B12R0.248 OCC(O)COCCCCCCF 7a_100000732779_100011219619 [0,2,0,0,0,0|1,0,0]=3 14070 B12R0.248 OCC(O)CSCCCCCCF 62a_100011219619_100015922095 [0,2,0,0,0,0|1,0,0]=3 14071 B12R0.248 OCC(O)CSCCCCCCF 62a_100015922095_100011219619 [0,2,0,0,0,0|1,0,0]=3 14072 B12R0.248 OCCCCCCNCC(O)CO 2230a_100000686447_100011219619 [0,2,0,0,0,0|1,0,0]=3 14073 B12R0.248 OCCCCCCNCC(O)CO 34a_100000686447_100011219619 [0,2,0,0,0,0|1,0,0]=3 14074 B12R0.248 OCCCCCCNC[C@@H](F)CO 34a_100015665980_100000766143 [0,2,0,0,0,0|2,0,0]=4 14075 B12R0.248 OCCCCCCNC[C@@H](O)CF 2230a_100000686447_100015614560 [0,2,0,0,0,0|1,0,0]=3 14076 B12R0.248 OCCCCCCNC[C@@H](O)CF 34a_100000686447_100015614560 [0,2,0,0,0,0|1,0,0]=3 14077 B12R0.248 OCCCCCCNC[C@@H](O)CO 2230a_100000686447_100009815848 [0,2,0,0,0,0|1,0,0]=3 14078 B12R0.248 OCCCCCCNC[C@@H](O)CO 34a_100000686447_100009815848 [0,2,0,0,0,0|1,0,0]=3 14079 B12R0.248 OCCCCCCNC[C@H](O)CO 2230a_100020644852_100000766143 [0,2,0,0,0,0|1,0,0]=3 14080 B12R0.248 OCCCCCCOCC(Cl)CCl 34a_100000033668_100000766143 [0,2,0,0,0,0|2,0,0]=4 14081 B12R0.248 OCCCCCCSCC(O)CO 62a_100000766143_100011219619 [0,2,0,0,0,0|1,0,0]=3 14082 B12R0.248 OCCCCCCSCC(O)CO 62a_100011219619_100000766143 [0,2,0,0,0,0|1,0,0]=3 14083 B12R0.248 OCCCCCCSC[C@@H](O)CF 62a_100000766143_100015614560 [0,2,0,0,0,0|1,0,0]=3 14084 B12R0.248 OCCCCCCSC[C@@H](O)CF 62a_100015614560_100000766143 [0,2,0,0,0,0|1,0,0]=3 14085 B12R0.248 OCCCCCCSC[C@@H](O)CO 62a_100000766143_100009815848 [0,2,0,0,0,0|1,0,0]=3 14086 B12R0.248 OCCCCCCSC[C@@H](O)CO 62a_100009815848_100000766143 [0,2,0,0,0,0|1,0,0]=3 14087 B12R0.248 OC[C@@H](O)CNCCCCCCF 2230a_100020644852_100015922095 [0,2,0,0,0,0|1,0,0]=3 14088 B12R0.248 OC[C@H](F)CNCCCCCCF 34a_100015665980_100015922095 [0,2,0,0,0,0|2,0,0]=4 14089 B12R0.248 OC[C@H](O)COCCCCCCBr 34a_100011215345_100009815848 [0,2,0,0,0,0|1,0,0]=3 14090 B12R0.248 OC[C@H](O)COCCCCCCBr 7a_100011215345_100009815848 [0,2,0,0,0,0|1,0,0]=3 14091 B12R0.248 OC[C@H](O)COCCCCCCCl 34a_100000766143_100009815848 [0,2,0,0,0,0|1,0,0]=3 14092 B12R0.248 OC[C@H](O)COCCCCCCCl 7a_100000766143_100009815848 [0,2,0,0,0,0|1,0,0]=3 14093 B12R0.248 OC[C@H](O)COCCCCCCF 34a_100000732779_100009815848 [0,2,0,0,0,0|1,0,0]=3 14094 B12R0.248 OC[C@H](O)COCCCCCCF 7a_100000732779_100009815848 [0,2,0,0,0,0|1,0,0]=3 14095 B12R0.248 OC[C@H](O)CSCCCCCCF 62a_100009815848_100015922095 [0,2,0,0,0,0|1,0,0]=3 14096 B12R0.248 OC[C@H](O)CSCCCCCCF 62a_100015922095_100009815848 [0,2,0,0,0,0|1,0,0]=3 14097 B12R0.248 O[C@@H](CF)COCCCCCCBr 34a_100011215345_100015614560 [0,2,0,0,0,0|1,0,0]=3 14098 B12R0.248 O[C@@H](CF)COCCCCCCBr 7a_100011215345_100015614560 [0,2,0,0,0,0|1,0,0]=3 14099 B12R0.248 O[C@@H](CF)COCCCCCCCl 34a_100000766143_100015614560 [0,2,0,0,0,0|1,0,0]=3 14100 B12R0.248 O[C@@H](CF)COCCCCCCCl 7a_100000766143_100015614560 [0,2,0,0,0,0|1,0,0]=3 14101 B12R0.248 O[C@@H](CF)COCCCCCCF 34a_100000732779_100015614560 [0,2,0,0,0,0|1,0,0]=3 14102 B12R0.248 O[C@@H](CF)COCCCCCCF 7a_100000732779_100015614560 [0,2,0,0,0,0|1,0,0]=3 14103 B12R0.248 O[C@@H](CF)CSCCCCCCF 62a_100015614560_100015922095 [0,2,0,0,0,0|1,0,0]=3 14104 B12R0.248 O[C@@H](CF)CSCCCCCCF 62a_100015922095_100015614560 [0,2,0,0,0,0|1,0,0]=3 14105 B12R0.251 C#CCCCCNCC(O)C(C)C 2230a_100000759067_100010269958 [0,2,0,0,0,0|0,0,2]=4 14106 B12R0.251 C#CCCCCNCC(O)C(C)C 34a_100000759067_100010269958 [0,2,0,0,0,0|0,0,2]=4 14107 B12R0.251 C=C(C)C(C)NCCCCCCC 269862a_100000229938_100011216138 [0,2,0,0,0,0|1,0,1]=4 14108 B12R0.251 C=CCCCCNCC(O)C(C)C 2230a_100000759067_100011215482 [0,2,0,0,0,0|0,0,2]=4 14109 B12R0.251 C=CCCCCNCC(O)C(C)C 34a_100000759067_100011215482 [0,2,0,0,0,0|0,0,2]=4 14110 B12R0.251 CC(C)C(=O)CCCCCCCO 1458a_100000210198_100000760002 [0,2,0,0,0,0|0,0,2]=4 14111 B12R0.251 CC(C)C(=O)CCCCCCCO 1458a_100011219782_100000210206 [0,2,0,0,0,0|0,0,2]=4 14112 B12R0.251 CC(C)C(C)NCCCCCCF 2230a_100000211541_100015922095 [0,2,0,0,0,0|2,0,0]=4 14113 B12R0.251 CC(C)C(C)NCCCCCCO 2230a_100000211541_100000766143 [0,2,0,0,0,0|2,0,0]=4 14114 B12R0.251 CC(C)C(C)OCCCCCCF 7a_100000748068_100015922095 [0,2,0,0,0,0|2,0,0]=4 14115 B12R0.251 CC(C)C(C)OCCCCCCO 7a_100000748068_100000766143 [0,2,0,0,0,0|2,0,0]=4 14116 B12R0.251 CC(C)C(N)CCOCCCCF 34a_100161115045_100000729493 [0,2,0,0,0,0|2,0,0]=4 14117 B12R0.251 CC(C)C(N)CCOCCCCO 34a_100161115045_100011216708 [0,2,0,0,0,0|2,0,0]=4 14118 B12R0.251 CC(C)C(O)CNCCCCC#N 2230a_100000759067_100000211819 [0,2,0,0,0,0|1,0,1]=4 14119 B12R0.251 CC(C)C(O)CNCCCCC=O 2230a_100000759067_100000139335 [0,2,0,0,0,0|1,0,1]=4 14120 B12R0.251 CC(C)C(O)CNCCCCCF 2230a_100000759067_100000729378 [0,2,0,0,0,0|1,0,0]=3 14121 B12R0.251 CC(C)C(O)CNCCCCCF 34a_100000759067_100000729378 [0,2,0,0,0,0|1,0,0]=3 14122 B12R0.251 CC(C)C(O)CNCCCCCO 2230a_100000759067_100000746330 [0,2,0,0,0,0|1,0,0]=3 14123 B12R0.251 CC(C)C(O)CNCCCCCO 34a_100000759067_100000746330 [0,2,0,0,0,0|1,0,0]=3 14124 B12R0.251 CC(C)C(O)CNCCOCCO 2230a_100000759067_100011215305 [0,2,0,0,0,0|2,0,0]=4 14125 B12R0.251 CC(C)C(O)CNCCOCCO 34a_100000759067_100000692535 [0,2,0,0,0,0|2,0,0]=4 14126 B12R0.251 CC(C)N(C)CCCCCCCO 269982a_200000211004_100000760002 [0,2,0,0,0,0|2,0,0]=4 14127 B12R0.251 CC(C)[C@@H](N)COCCCCCF 34a_100011830312_100000729378 [0,2,0,0,0,0|2,0,0]=4 14128 B12R0.251 CC(C)[C@@H](N)COCCCCCO 34a_100011830312_100000746330 [0,2,0,0,0,0|2,0,0]=4 14129 B12R0.251 CC(F)C(=O)CCCCCCCO 1458a_100000062450_100000760002 [0,2,0,0,0,0|0,0,2]=4 14130 B12R0.251 CC/C=C\CCNCC(O)C(C)C 2230a_100000759067_100015370543 [0,2,0,0,0,0|0,0,2]=4 14131 B12R0.251 CC/C=C\CCNCC(O)C(C)C 34a_100000759067_100015370543 [0,2,0,0,0,0|0,0,2]=4 14132 B12R0.251 CCCCCCCCC(=O)C(C)C 1458a_100000210188_100000210206 [0,2,0,0,0,0|0,0,2]=4 14133 B12R0.251 CCCCCCCCC(=O)C(C)C 1458a_100000210198_100000210759 [0,2,0,0,0,0|0,0,2]=4 14134 B12R0.251 CCCCCCCCC(=O)C(C)F 1458a_100000062450_100000210759 [0,2,0,0,0,0|0,0,2]=4 14135 B12R0.251 CCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210759 [0,2,0,0,0,0|0,0,2]=4 14136 B12R0.251 CCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210759 [0,2,0,0,0,0|0,0,2]=4 14137 B12R0.251 CCCCCCCCC(C)N(C)C 270004a_100102631434_100011216694 [0,2,0,0,0,0|2,0,0]=4 14138 B12R0.251 CCCCCCCCC(O)C(=O)C 1458a_200011995895_200000210301 [0,2,0,0,0,0|0,0,1]=3 14139 B12R0.251 CCCCCCCCC(O)C(=O)[13CH3] 1458a_200011995895_200025704644 [0,2,0,0,0,0|0,0,1]=3 14140 B12R0.251 CCCCCCCCN(C)C(C)C 2230a_100000207567_100000210206 [0,2,0,0,0,0|2,0,0]=4 14141 B12R0.251 CCCCCCCCN(C)C(C)C 269982a_100000207567_100000210206 [0,2,0,0,0,0|2,0,0]=4 14142 B12R0.251 CCCCCCCCN(C)C(C)C 269982a_200000211004_100000210759 [0,2,0,0,0,0|2,0,0]=4 14143 B12R0.251 CCCCCCCNC(=O)C(C)C 11a_100000229938_100000210198 [0,2,0,0,0,0|0,0,2]=4 14144 B12R0.251 CCCCCCCNC(=O)C(C)C 1626a_100000229938_100000210198 [0,2,0,0,0,0|0,0,2]=4 14145 B12R0.251 CCCCCCCNC(=O)C(C)C 240690a_100000229938_100000210198 [0,2,0,0,0,0|0,0,2]=4 14146 B12R0.251 CCCCCCCNC(=O)C(C)C 527a_100000229938_100000210198 [0,2,0,0,0,0|0,0,2]=4 14147 B12R0.251 CCCCCCCNC(=O)C(C)F 11a_100000229938_100000062450 [0,2,0,0,0,0|0,0,2]=4 14148 B12R0.251 CCCCCCCNC(=O)C(C)F 1626a_100000229938_100000062450 [0,2,0,0,0,0|0,0,2]=4 14149 B12R0.251 CCCCCCCNC(=O)C(C)F 240690a_100000229938_100000062450 [0,2,0,0,0,0|0,0,2]=4 14150 B12R0.251 CCCCCCCNC(=O)C(C)F 527a_100000229938_100000062450 [0,2,0,0,0,0|0,0,2]=4 14151 B12R0.251 CCCCCCCNC(=O)[C@@H](C)O 240690a_100000229938_100000717761 [0,2,0,0,0,0|0,0,2]=4 14152 B12R0.251 CCCCCCCNC(=O)[C@H](C)O 1626a_100000229938_217856618621 [0,2,0,0,0,0|0,0,2]=4 14153 B12R0.251 CCCCCCCNC(=O)[C@H](C)O 240690a_100000229938_217856618621 [0,2,0,0,0,0|0,0,2]=4 14154 B12R0.251 CCCCCCCNC(C)C(=O)C 2230a_100000229938_100009814033 [0,2,0,0,0,0|1,0,1]=4 14155 B12R0.251 CCCCCCCNC(C)C(C)C 2230a_100000211541_100000210681 [0,2,0,0,0,0|1,0,0]=3 14156 B12R0.251 CCCCCCCOC(C)C(=O)C 34a_100000212229_100000210614 [0,2,0,0,0,0|1,0,1]=4 14157 B12R0.251 CCCCCCCOC(C)C(=O)C 7a_100000210272_100000179758 [0,2,0,0,0,0|1,0,1]=4 14158 B12R0.251 CCCCCCCOC(C)C(C)C 7a_100000748068_100000210614 [0,2,0,0,0,0|1,0,0]=3 14159 B12R0.251 CCCCCCCSC(C)C(=O)C 62a_100000210614_100009814033 [0,2,0,0,0,0|1,0,1]=4 14160 B12R0.251 CCCCCCCSC(C)C(=O)C 62a_100009814033_100000210316 [0,2,0,0,0,0|1,0,1]=4 14161 B12R0.251 CCCCCCNCC(=O)C(C)C 2230a_100000210581_100000753385 [0,2,0,0,0,0|0,0,2]=4 14162 B12R0.251 CCCCCCNCC(O)C(C)C 2230a_100000759067_100000210314 [0,2,0,0,0,0|0,0,0]=2 14163 B12R0.251 CCCCCCNCC(O)C(C)C 34a_100000759067_100000210314 [0,2,0,0,0,0|0,0,0]=2 14164 B12R0.251 CCCCCCOCC(=O)C(C)C 34a_100000210259_100000753385 [0,2,0,0,0,0|0,0,2]=4 14165 B12R0.251 CCCCCCOCC(=O)C(C)C 7a_100000210259_100000753385 [0,2,0,0,0,0|0,0,2]=4 14166 B12R0.251 CCCCCCOCC(C)C(=O)C 34a_100000032740_100000210314 [0,2,0,0,0,0|1,0,1]=4 14167 B12R0.251 CCCCCCOCC(C)C(=O)C 7a_100000032740_100000210314 [0,2,0,0,0,0|1,0,1]=4 14168 B12R0.251 CCCCCCOC[C@H](N)C(C)C 34a_100011830312_100000210314 [0,2,0,0,0,0|1,0,0]=3 14169 B12R0.251 CCCCCCSCC(=O)C(C)C 62a_100000210314_100000753385 [0,2,0,0,0,0|0,0,2]=4 14170 B12R0.251 CCCCCCSCC(=O)C(C)C 62a_100000753385_100000210757 [0,2,0,0,0,0|0,0,2]=4 14171 B12R0.251 CCCCCOCCC(N)C(C)C 34a_100161115045_100000718602 [0,2,0,0,0,0|1,0,0]=3 14172 B12R0.251 CCCCOCCNC(C)C(C)C 2230a_100000211541_100000743108 [0,2,0,0,0,0|2,0,0]=4 14173 B12R0.251 CCCCOCCOC(C)C(C)C 7a_100000748068_100000743108 [0,2,0,0,0,0|2,0,0]=4 14174 B12R0.251 CCCCOCNCC(O)C(C)C 2230a_100000759067_100011995733 [0,2,0,0,0,0|1,0,0]=3 14175 B12R0.251 CCCCOCNCC(O)C(C)C 34a_100000759067_100011995733 [0,2,0,0,0,0|1,0,0]=3 14176 B12R0.251 CCCCOCOC[C@H](N)C(C)C 34a_100011830312_100011995733 [0,2,0,0,0,0|2,0,0]=4 14177 B12R0.251 CCCOCCNCC(O)C(C)C 2230a_100000759067_100011215938 [0,2,0,0,0,0|1,0,0]=3 14178 B12R0.251 CCCOCCNCC(O)C(C)C 34a_100000759067_100011215938 [0,2,0,0,0,0|1,0,0]=3 14179 B12R0.251 CCCOCCOC[C@H](N)C(C)C 34a_100011830312_100011215938 [0,2,0,0,0,0|2,0,0]=4 14180 B12R0.251 CCOCCCNCC(O)C(C)C 2230a_100000759067_100012232248 [0,2,0,0,0,0|1,0,0]=3 14181 B12R0.251 CCOCCCNCC(O)C(C)C 34a_100000759067_100012232248 [0,2,0,0,0,0|1,0,0]=3 14182 B12R0.251 CCOCCCOC[C@H](N)C(C)C 34a_100011830312_100012232248 [0,2,0,0,0,0|2,0,0]=4 14183 B12R0.251 CCOCCOCCC(N)C(C)C 34a_100161115045_100000210147 [0,2,0,0,0,0|2,0,0]=4 14184 B12R0.251 CCSCCOCCC(N)C(C)C 34a_100161115045_100000757381 [0,2,0,0,0,0|2,0,0]=4 14185 B12R0.251 COCCCCCCC(=O)C(C)C 1458a_100000210198_100011998445 [0,2,0,0,0,0|0,0,2]=4 14186 B12R0.251 COCCCCCCC(=O)C(C)F 1458a_100000062450_100011998445 [0,2,0,0,0,0|0,0,2]=4 14187 B12R0.251 COCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011998445 [0,2,0,0,0,0|0,0,2]=4 14188 B12R0.251 COCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100011998445 [0,2,0,0,0,0|0,0,2]=4 14189 B12R0.251 COCCCCCCN(C)C(C)C 269982a_200000211004_100011998445 [0,2,0,0,0,0|2,0,0]=4 14190 B12R0.251 COCCCCNCC(O)C(C)C 2230a_100000759067_100000730899 [0,2,0,0,0,0|1,0,0]=3 14191 B12R0.251 COCCCCNCC(O)C(C)C 34a_100000759067_100000755781 [0,2,0,0,0,0|1,0,0]=3 14192 B12R0.251 COCCCCOC[C@H](N)C(C)C 34a_100011830312_100000755781 [0,2,0,0,0,0|2,0,0]=4 14193 B12R0.251 COCCCOCCC(N)C(C)C 34a_100161115045_100000740836 [0,2,0,0,0,0|2,0,0]=4 14194 B12R0.251 COCCOCNCC(O)C(C)C 2230a_100000759067_100000231047 [0,2,0,0,0,0|2,0,0]=4 14195 B12R0.251 C[C@@H](O)C(=O)CCCCCCCO 1458a_100000717761_100000760002 [0,2,0,0,0,0|0,0,2]=4 14196 B12R0.251 C[C@H](O)C(=O)CCCCCCCO 1458a_217856618621_100000760002 [0,2,0,0,0,0|0,0,2]=4 14197 B12R0.312 CCC(C)(C)COCCCCCF 7a_100000765029_100000729378 [0,2,0,0,0,0|2,0,0]=4 14198 B12R0.312 CCC(C)(C)COCCCCCO 7a_100000765029_100000746330 [0,2,0,0,0,0|2,0,0]=4 14199 B12R0.312 CCC(C)(C)COCCCCOC 7a_100000765029_100000730899 [0,2,0,0,0,0|2,0,0]=4 14200 B12R0.312 CCC(C)(C)NCCCCCCF 2230a_100000211385_100015922095 [0,2,0,0,0,0|2,0,0]=4 14201 B12R0.312 CCC(C)(C)NCCCCCCO 2230a_100000211385_100000766143 [0,2,0,0,0,0|2,0,0]=4 14202 B12R0.312 CCC(C)(C)OCCCCCCBr 7a_100011215345_100000210677 [0,2,0,0,0,0|2,0,0]=4 14203 B12R0.312 CCC(C)(C)OCCCCCCCl 7a_100000766143_100000210677 [0,2,0,0,0,0|2,0,0]=4 14204 B12R0.312 CCC(C)(C)OCCCCCCF 7a_100000210230_100015922095 [0,2,0,0,0,0|2,0,0]=4 14205 B12R0.312 CCC(C)(C)OCCCCCCF 7a_100000732779_100000210677 [0,2,0,0,0,0|2,0,0]=4 14206 B12R0.312 CCC(C)(C)OCCCCCCO 7a_100000210230_100000766143 [0,2,0,0,0,0|2,0,0]=4 14207 B12R0.312 CCC(C)(C)SCCCCCCF 62a_100000032637_100015922095 [0,2,0,0,0,0|2,0,0]=4 14208 B12R0.312 CCC(C)(C)SCCCCCCF 62a_100015922095_100000032637 [0,2,0,0,0,0|2,0,0]=4 14209 B12R0.312 CCC(C)(C)SCCCCCCO 62a_100000032637_100000766143 [0,2,0,0,0,0|2,0,0]=4 14210 B12R0.312 CCC(C)(C)SCCCCCCO 62a_100000766143_100000032637 [0,2,0,0,0,0|2,0,0]=4 14211 B12R0.312 CCCCCCCNC(C)(C)CC 2230a_100000211385_100000210681 [0,2,0,0,0,0|1,0,0]=3 14212 B12R0.312 CCCCCCCNC(C)(C)CO 2230a_100000210608_100000210681 [0,2,0,0,0,0|2,0,0]=4 14213 B12R0.312 CCCCCCCNS(=O)(=O)CC 270084a_100000229938_100000211323 [0,2,0,0,0,0|1,0,1]=4 14214 B12R0.312 CCCCCCCNS(=O)(=O)CC 274078a_100000229938_100000211323 [0,2,0,0,0,0|1,0,1]=4 14215 B12R0.312 CCCCCCCNS(=O)(=O)CC 40a_100000229938_100000053943 [0,2,0,0,0,0|1,0,1]=4 14216 B12R0.312 CCCCCCCOC(C)(C)CC 7a_100000210230_100000210614 [0,2,0,0,0,0|1,0,0]=3 14217 B12R0.312 CCCCCCCOC(C)(C)CC 7a_100000210272_100000210677 [0,2,0,0,0,0|1,0,0]=3 14218 B12R0.312 CCCCCCCOC(C)(C)CCl 7a_100000764493_100000210614 [0,2,0,0,0,0|2,0,0]=4 14219 B12R0.312 CCCCCCCSC(C)(C)CC 62a_100000032637_100000210316 [0,2,0,0,0,0|1,0,0]=3 14220 B12R0.312 CCCCCCCSC(C)(C)CC 62a_100000210614_100000032637 [0,2,0,0,0,0|1,0,0]=3 14221 B12R0.312 CCCCCCCSC(F)(F)CO 62a_100000210614_100011217949 [0,2,0,0,0,0|2,0,0]=4 14222 B12R0.312 CCCCCCCSC(F)(F)CO 62a_100011217949_100000210316 [0,2,0,0,0,0|2,0,0]=4 14223 B12R0.312 CCCCCCNCC(C)(C)CO 2230a_100020635058_100000210314 [0,2,0,0,0,0|2,0,0]=4 14224 B12R0.312 CCCCCCNCC(C)(C)OC 2230a_100000763424_100000210314 [0,2,0,0,0,0|2,0,0]=4 14225 B12R0.312 CCCCCCNCC(C)(C)SC 270004a_100000210581_100009845794 [0,2,0,0,0,0|2,0,0]=4 14226 B12R0.312 CCCCCCOCC(C)(C)CC 7a_100000765029_100000210314 [0,2,0,0,0,0|1,0,0]=3 14227 B12R0.312 CCCCCCOCC(C)(C)CCl 7a_100011217199_100000210314 [0,2,0,0,0,0|2,0,0]=4 14228 B12R0.312 CCCCCCOCC(C)(C)CO 34a_100000210259_100009813988 [0,2,0,0,0,0|2,0,0]=4 14229 B12R0.312 CCCCCCOCC(C)(C)CO 7a_100000210259_100009813988 [0,2,0,0,0,0|2,0,0]=4 14230 B12R0.312 CCCCCCOCC(C)(C)OC 34a_100000210259_100000701081 [0,2,0,0,0,0|2,0,0]=4 14231 B12R0.312 CCCCCCOCC(F)(F)CN 34a_100000703232_100000210314 [0,2,0,0,0,0|2,0,0]=4 14232 B12R0.312 CCCCCCSCC(C)(C)CO 62a_100000210314_100009813988 [0,2,0,0,0,0|2,0,0]=4 14233 B12R0.312 CCCCCCSCC(C)(C)CO 62a_100009813988_100000210757 [0,2,0,0,0,0|2,0,0]=4 14234 B12R0.312 CCCCCCSCC(C)(C)OC 62a_100000210314_100000701081 [0,2,0,0,0,0|2,0,0]=4 14235 B12R0.312 CCCCCCSCC(C)(C)OC 62a_100000701081_100000210757 [0,2,0,0,0,0|2,0,0]=4 14236 B12R0.312 CCCCCNCCS(=O)(=O)CC 2230a_100000209983_100000756660 [0,2,0,0,0,0|1,0,1]=4 14237 B12R0.312 CCCCCNCCS(=O)(=O)CC 2230a_100000751051_100000210326 [0,2,0,0,0,0|1,0,1]=4 14238 B12R0.312 CCCCCNCCS(=O)(=O)CC 34a_100000751051_100000718602 [0,2,0,0,0,0|1,0,1]=4 14239 B12R0.312 CCCCCOCCC(C)(C)OC 7a_100000699976_100000210326 [0,2,0,0,0,0|2,0,0]=4 14240 B12R0.312 CCCCCOCCS(=O)(=O)CC 34a_100000210253_100000756660 [0,2,0,0,0,0|1,0,1]=4 14241 B12R0.312 CCCCCOCCS(=O)(=O)CC 34a_200011216379_100000718602 [0,2,0,0,0,0|1,0,1]=4 14242 B12R0.312 CCCCCOCCS(=O)(=O)CC 7a_100000210253_100000756660 [0,2,0,0,0,0|1,0,1]=4 14243 B12R0.312 CCCCCOCCS(=O)(=O)CC 7a_200011216379_100000210326 [0,2,0,0,0,0|1,0,1]=4 14244 B12R0.312 CCCCCSCCS(=O)(=O)CC 62a_100000210326_100000756660 [0,2,0,0,0,0|1,0,1]=4 14245 B12R0.312 CCCCCSCCS(=O)(=O)CC 62a_100000756660_100000210326 [0,2,0,0,0,0|1,0,1]=4 14246 B12R0.312 CCCCNCCCC(C)(C)CO 2230a_100000039164_100000210211 [0,2,0,0,0,0|2,0,0]=4 14247 B12R0.312 CCCCOCCNC(C)(C)CC 2230a_100000211385_100000743108 [0,2,0,0,0,0|2,0,0]=4 14248 B12R0.312 CCCCOCCOC(C)(C)CC 7a_100000210230_100000743108 [0,2,0,0,0,0|2,0,0]=4 14249 B12R0.312 CCCCOCCOC(C)(C)CC 7a_100000210238_100000210677 [0,2,0,0,0,0|2,0,0]=4 14250 B12R0.312 CCCCOCCSC(C)(C)CC 62a_100000032637_100000743108 [0,2,0,0,0,0|2,0,0]=4 14251 B12R0.312 CCCCOCCSC(C)(C)CC 62a_100000743108_100000032637 [0,2,0,0,0,0|2,0,0]=4 14252 B12R0.312 CCCCSCCOC(C)(C)CC 7a_200000230436_100000210677 [0,2,0,0,0,0|2,0,0]=4 14253 B12R0.312 CCCOCCOCC(C)(C)CC 7a_100000765029_100011215938 [0,2,0,0,0,0|2,0,0]=4 14254 B12R0.312 CCOCCCOCC(C)(C)CC 7a_100000765029_100012232248 [0,2,0,0,0,0|2,0,0]=4 14255 B12R0.42 CC(=O)CCCNCC(O)C(C)C 34a_100000759067_100000685027 [0,2,0,0,0,0|1,0,1]=4 14256 B12R0.42 CC(C)CCCCCC(=O)C(C)C 1458a_100000210198_100000210682 [0,2,0,0,0,0|0,0,2]=4 14257 B12R0.42 CC(C)CCCCCC(=O)C(C)C 1458a_100000766313_100000210206 [0,2,0,0,0,0|0,0,2]=4 14258 B12R0.42 CC(C)CCCCCC(=O)C(C)F 1458a_100000062450_100000210682 [0,2,0,0,0,0|0,0,2]=4 14259 B12R0.42 CC(C)CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210682 [0,2,0,0,0,0|0,0,2]=4 14260 B12R0.42 CC(C)CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210682 [0,2,0,0,0,0|0,0,2]=4 14261 B12R0.42 CC(C)CCCCCN(C)C(C)C 269982a_200000211004_100000210682 [0,2,0,0,0,0|2,0,0]=4 14262 B12R0.42 CC(C)CCCCNC(C)C(C)C 2230a_100000211541_100011216152 [0,2,0,0,0,0|2,0,0]=4 14263 B12R0.42 CC(C)CCCCOC(C)C(C)C 7a_100000748068_100011216152 [0,2,0,0,0,0|2,0,0]=4 14264 B12R0.42 CC(C)CCCNCC(O)C(C)C 2230a_100000759067_100011214892 [0,2,0,0,0,0|1,0,0]=3 14265 B12R0.42 CC(C)CCCNCC(O)C(C)C 34a_100000759067_100011214892 [0,2,0,0,0,0|1,0,0]=3 14266 B12R0.42 CC(C)CCCOC[C@H](N)C(C)C 34a_100011830312_100011214892 [0,2,0,0,0,0|2,0,0]=4 14267 B12R0.42 CC(C)CCOCCC(N)C(C)C 34a_100161115045_100000210312 [0,2,0,0,0,0|2,0,0]=4 14268 B12R0.42 CC(C)OCCNCC(O)C(C)C 2230a_100000759067_100000211751 [0,2,0,0,0,0|2,0,0]=4 14269 B12R0.42 CC(C)OCCNCC(O)C(C)C 34a_100000759067_100000211751 [0,2,0,0,0,0|2,0,0]=4 14270 B12R0.42 CC(C)SCCNCC(O)C(C)C 2230a_100000759067_100000730970 [0,2,0,0,0,0|2,0,0]=4 14271 B12R0.42 CC(C)SCCNCC(O)C(C)C 34a_100000759067_100000730970 [0,2,0,0,0,0|2,0,0]=4 14272 B12R0.42 CC(O)CCCNCC(O)C(C)C 2230a_100000759067_200000718107 [0,2,0,0,0,0|1,0,0]=3 14273 B12R0.42 CC(O)CCCNCC(O)C(C)C 34a_100000759067_200000718107 [0,2,0,0,0,0|1,0,0]=3 14274 B12R0.42 CC(O)CCCOC[C@H](N)C(C)C 34a_100011830312_200000718107 [0,2,0,0,0,0|2,0,0]=4 14275 B12R0.42 CC(O)CCOCCC(N)C(C)C 34a_100161115045_100012276601 [0,2,0,0,0,0|2,0,0]=4 14276 B12R0.46 CC(C)[C@@H](O)C(=O)CCCCCF 1458a_100000691806_100000729378 [0,2,0,0,0,0|1,0,1]=4 14277 B12R0.46 CC(C)[C@@H](O)C(=O)CCCCCO 1458a_100000691806_100000746330 [0,2,0,0,0,0|1,0,1]=4 14278 B12R0.46 CCCCCCC(=O)C(C)C(C)C 1458a_100000755409_100000210757 [0,2,0,0,0,0|1,0,1]=4 14279 B12R0.46 CCCCCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210757 [0,2,0,0,0,0|0,0,1]=3 14280 B12R0.46 CCCCCCC(C)C(=O)C(C)C 1458a_100000210198_100011215978 [0,2,0,0,0,0|0,0,2]=4 14281 B12R0.46 CCCCCCC(C)C(=O)C(C)F 1458a_100000062450_100011215978 [0,2,0,0,0,0|0,0,2]=4 14282 B12R0.46 CCCCCCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100011215978 [0,2,0,0,0,0|0,0,2]=4 14283 B12R0.46 CCCCCCC(C)C(=O)[C@H](C)O 1458a_217856618621_100011215978 [0,2,0,0,0,0|0,0,2]=4 14284 B12R0.46 CCCCCCC(C)N(C)C(C)C 269982a_200000211004_100011215978 [0,2,0,0,0,0|2,0,0]=4 14285 B12R0.46 CCCCCCC(C)N(C)C(C)C 270004a_200000211004_100000210826 [0,2,0,0,0,0|2,0,0]=4 14286 B12R0.46 CCCCCCC(O)C(=O)C(C)C 1458a_100011215828_100000210206 [0,2,0,0,0,0|0,0,2]=4 14287 B12R0.46 CCCCCCN(C)C(C)C(C)C 2230a_100000228512_100000210314 [0,2,0,0,0,0|2,0,0]=4 14288 B12R0.46 CCCCCCN(C)C(C)C(C)C 269982a_100000228512_100000210757 [0,2,0,0,0,0|2,0,0]=4 14289 B12R0.46 CCCCCNC(=O)[C@H](O)C(C)C 240690a_100000209983_100000691806 [0,2,0,0,0,0|1,0,1]=4 14290 B12R0.46 CCCCOCC(=O)[C@H](O)C(C)C 1458a_100000691806_100011995733 [0,2,0,0,0,0|1,0,1]=4 14291 B12R0.46 CCCOCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100011215938 [0,2,0,0,0,0|1,0,1]=4 14292 B12R0.46 CCOCCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100012232248 [0,2,0,0,0,0|1,0,1]=4 14293 B12R0.46 COCCCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000755781 [0,2,0,0,0,0|1,0,1]=4 14294 B12R0.48 CCCCC(=O)NCC(O)C(C)C 11a_100000759067_100000210183 [0,2,0,0,0,0|1,0,1]=4 14295 B12R0.48 CCCCC(=O)NCC(O)C(C)C 240690a_100000759067_100000210183 [0,2,0,0,0,0|1,0,1]=4 14296 B12R0.48 CCCCC(=O)NCC(O)C(C)C 527a_100000759067_100000210183 [0,2,0,0,0,0|1,0,1]=4 14297 B12R0.48 CCCCC(C)CCC(=O)C(C)C 1458a_100000033779_100000210206 [0,2,0,0,0,0|0,0,2]=4 14298 B12R0.48 CCCCC(C)NCC(O)C(C)C 2230a_100000759067_200011215066 [0,2,0,0,0,0|1,0,0]=3 14299 B12R0.48 CCCCC(C)NCC(O)C(C)C 270004a_100000759067_100000210087 [0,2,0,0,0,0|1,0,0]=3 14300 B12R0.48 CCCCC(C)NCC(O)C(C)C 34a_100000759067_200011215066 [0,2,0,0,0,0|1,0,0]=3 14301 B12R0.48 CCCCC(C)OC[C@H](N)C(C)C 34a_100011830312_200011215066 [0,2,0,0,0,0|2,0,0]=4 14302 B12R0.48 CCSCC(C)NCC(O)C(C)C 270004a_100000759067_200011216171 [0,2,0,0,0,0|2,0,0]=4 14303 B12R0.48 COCCC(C)NCC(O)C(C)C 270004a_100000759067_100000742357 [0,2,0,0,0,0|2,0,0]=4 14304 B12R0.48 CSCCC(C)NCC(O)C(C)C 270004a_100000759067_100011217047 [0,2,0,0,0,0|2,0,0]=4 14305 B12R0.58 CCCCCCCC(C)(C)C(=O)C 1458a_100000070787_200000046972 [0,2,0,0,0,0|1,0,1]=4 14306 B12R0.58 CCCCCCCC(C)(C)C(=O)C 1458a_200011216102_200000210301 [0,2,0,0,0,0|1,0,1]=4 14307 B12R0.58 CCCCCCCC(C)(C)C(=O)[13CH3] 1458a_200011216102_200025704644 [0,2,0,0,0,0|1,0,1]=4 14308 B12R0.58 CCCCCCCC(C)(C)N(C)C 269982a_100102631434_200000046972 [0,2,0,0,0,0|2,0,0]=4 14309 B12R0.58 CCCCCCNC(C)(C)C(C)C 2230a_200160471154_100000210314 [0,2,0,0,0,0|2,0,0]=4 14310 B12R0.58 CCCCCCOC(C)(C)C(C)C 7a_100011215261_100000210314 [0,2,0,0,0,0|2,0,0]=4 14311 B12R0.123 CCCCCC(C)NC(C)C(C)C 2230a_100000211541_200011218191 [0,2,0,0,0,0|2,0,0]=4 14312 B12R0.123 CCCCCC(C)NC(C)C(C)C 270004a_100000211541_100000211708 [0,2,0,0,0,0|2,0,0]=4 14313 B12R0.123 CCCCCC(C)OC(C)C(C)C 7a_100000748068_200011218191 [0,2,0,0,0,0|2,0,0]=4 14314 B12R0.186 CC(C)C(N)CCOCC(O)CO 34a_100161115045_100011219619 [0,2,0,0,0,0|2,0,0]=4 14315 B12R0.186 CC(C)C(N)CCOC[C@@H](O)CF 34a_100161115045_100015614560 [0,2,0,0,0,0|2,0,0]=4 14316 B12R0.186 CC(C)C(N)CCOC[C@@H](O)CO 34a_100161115045_100009815848 [0,2,0,0,0,0|2,0,0]=4 14317 B12R0.186 CCC(C)COCCC(N)C(C)C 34a_100161115045_100000748023 [0,2,0,0,0,0|2,0,0]=4 14318 B12R0.186 CCC(O)COCCC(N)C(C)C 34a_100161115045_100011218378 [0,2,0,0,0,0|1,0,0]=3 14319 B12R0.186 CC[C@H](C)COCCC(N)C(C)C 34a_100161115045_100009816398 [0,2,0,0,0,0|2,0,0]=4 14320 B12R0.201 C#CC(OCCCCCC)C(C)C 34a_100011217124_100000210314 [0,2,0,0,0,0|2,0,0]=4 14321 B12R0.201 C#CC(OCCCCCC)C(C)C 7a_100011217124_100000210314 [0,2,0,0,0,0|2,0,0]=4 14322 B12R0.201 C=CC(OCCCCCC)C(C)C 34a_100000732651_100000210314 [0,2,0,0,0,0|2,0,0]=4 14323 B12R0.201 C=CC(OCCCCCC)C(C)C 7a_100000732651_100000210314 [0,2,0,0,0,0|2,0,0]=4 14324 B12R0.201 CC(C)C(CO)CNCCCCF 34a_100000692819_100000729493 [0,2,0,0,0,0|2,0,0]=4 14325 B12R0.201 CC(C)C(CO)CNCCCCO 34a_100000692819_100011216708 [0,2,0,0,0,0|2,0,0]=4 14326 B12R0.201 CC(C)[C@H](CO)NCCCCCF 2230a_100011830312_100000729378 [0,2,0,0,0,0|2,0,0]=4 14327 B12R0.201 CC(C)[C@H](CO)NCCCCCF 34a_100011830312_100000729378 [0,2,0,0,0,0|2,0,0]=4 14328 B12R0.201 CC(C)[C@H](CO)NCCCCCO 2230a_100011830312_100000746330 [0,2,0,0,0,0|2,0,0]=4 14329 B12R0.201 CC(C)[C@H](CO)NCCCCCO 34a_100011830312_100000746330 [0,2,0,0,0,0|2,0,0]=4 14330 B12R0.201 CCCCCCCC(CC)N(C)C 270004a_100102631434_200011217162 [0,2,0,0,0,0|1,0,0]=3 14331 B12R0.201 CCCCCCCN(CC)C(=O)C 11a_100000228213_100015343762 [0,2,0,0,0,0|1,0,1]=4 14332 B12R0.201 CCCCCCCN(CC)C(=O)C 1626a_100000228213_100015343762 [0,2,0,0,0,0|1,0,1]=4 14333 B12R0.201 CCCCCCCN(CC)C(=O)C 240690a_100000228213_100015343762 [0,2,0,0,0,0|1,0,1]=4 14334 B12R0.201 CCCCCCCN(CC)C(=O)C 527a_100000228213_100103153847 [0,2,0,0,0,0|1,0,1]=4 14335 B12R0.201 CCCCCCCN(CC)C(C)C 2230a_100000223864_100000210681 [0,2,0,0,0,0|2,0,0]=4 14336 B12R0.201 CCCCCCCN(CC)C(C)C 2230a_100000228213_100000210206 [0,2,0,0,0,0|2,0,0]=4 14337 B12R0.201 CCCCCCCN(CC)C(C)C 269982a_100000223864_100000210681 [0,2,0,0,0,0|2,0,0]=4 14338 B12R0.201 CCCCCCCN(CC)C(C)C 269982a_100000228213_100000210206 [0,2,0,0,0,0|2,0,0]=4 14339 B12R0.201 CCCCCCNC(CC)C(=O)N 2230a_100000210581_100000750255 [0,2,0,0,0,0|1,0,1]=4 14340 B12R0.201 CCCCCCNC(CC)C(=O)N 2230a_100000733705_100000210314 [0,2,0,0,0,0|1,0,1]=4 14341 B12R0.201 CCCCCCNC(CC)C(=O)N 34a_100000733705_100000210314 [0,2,0,0,0,0|1,0,1]=4 14342 B12R0.201 CCCCCCNC(CC)C(C)C 270004a_100000210581_100000210600 [0,2,0,0,0,0|2,0,0]=4 14343 B12R0.201 CCCCCCNC(CO)C(=O)O 269956a_100000187304_100000210757 [0,2,0,0,0,0|2,0,0]=4 14344 B12R0.201 CCCCCCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100000210314 [0,2,0,0,0,0|1,0,0]=3 14345 B12R0.201 CCCCCCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100000210314 [0,2,0,0,0,0|1,0,0]=3 14346 B12R0.201 CCCCCCN[C@@H](CO)C(C)C 2230a_100011830312_100000210314 [0,2,0,0,0,0|1,0,0]=3 14347 B12R0.201 CCCCCCN[C@@H](CO)C(C)C 34a_100011830312_100000210314 [0,2,0,0,0,0|1,0,0]=3 14348 B12R0.201 CCCCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210757 [0,2,0,0,0,0|1,0,0]=3 14349 B12R0.201 CCCCCCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000210314 [0,2,0,0,0,0|1,0,0]=3 14350 B12R0.201 CCCCCCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000210314 [0,2,0,0,0,0|1,0,0]=3 14351 B12R0.201 CCCCCCOC(C#N)C(C)C 34a_100000748901_100000210314 [0,2,0,0,0,0|2,0,0]=4 14352 B12R0.201 CCCCCCOC(C#N)C(C)C 7a_100000748901_100000210314 [0,2,0,0,0,0|2,0,0]=4 14353 B12R0.201 CCCCCCOC(CC)C(=O)N 34a_100000210259_100000750255 [0,2,0,0,0,0|1,0,1]=4 14354 B12R0.201 CCCCCCOC(CC)C(=O)N 7a_100000210259_100000750255 [0,2,0,0,0,0|1,0,1]=4 14355 B12R0.201 CCCCCCOC(CC)C(C)C 34a_100011218073_100000210314 [0,2,0,0,0,0|2,0,0]=4 14356 B12R0.201 CCCCCCOC(CC)C(C)C 7a_100011218073_100000210314 [0,2,0,0,0,0|2,0,0]=4 14357 B12R0.201 CCCCCCOC(CN)C(C)C 34a_100000759067_100000210314 [0,2,0,0,0,0|2,0,0]=4 14358 B12R0.201 CCCCCCSC(CC)C(=O)N 62a_100000210314_100000750255 [0,2,0,0,0,0|1,0,1]=4 14359 B12R0.201 CCCCCCSC(CC)C(=O)N 62a_100000750255_100000210757 [0,2,0,0,0,0|1,0,1]=4 14360 B12R0.201 CCCCCNCC(CC)C(C)C 269862a_100000209983_100011214906 [0,2,0,0,0,0|2,0,0]=4 14361 B12R0.201 CCCCCNCC(CO)C(C)C 34a_100000692819_100000718602 [0,2,0,0,0,0|1,0,0]=3 14362 B12R0.201 CCCCCOCC(CC)C(C)C 34a_100011995916_100000718602 [0,2,0,0,0,0|2,0,0]=4 14363 B12R0.201 CCCCCOCC(CC)C(C)C 7a_100011995916_100000210326 [0,2,0,0,0,0|2,0,0]=4 14364 B12R0.201 CCCCCOCC(CN)C(C)C 34a_100000692819_100000718602 [0,2,0,0,0,0|2,0,0]=4 14365 B12R0.201 CCCCOCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100011995733 [0,2,0,0,0,0|2,0,0]=4 14366 B12R0.201 CCCCOCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100011995733 [0,2,0,0,0,0|2,0,0]=4 14367 B12R0.201 CCCCOCN[C@@H](CO)C(C)C 2230a_100011830312_100011995733 [0,2,0,0,0,0|2,0,0]=4 14368 B12R0.201 CCCCOCN[C@@H](CO)C(C)C 34a_100011830312_100011995733 [0,2,0,0,0,0|2,0,0]=4 14369 B12R0.201 CCCCOCN[C@H](CC)C(=O)O 269956a_100000747097_100011995733 [0,2,0,0,0,0|2,0,0]=4 14370 B12R0.201 CCCCOCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100011995733 [0,2,0,0,0,0|2,0,0]=4 14371 B12R0.201 CCCCOCN[C@H](CO)[C@@H](C)O 34a_100015196842_100011995733 [0,2,0,0,0,0|2,0,0]=4 14372 B12R0.201 CCCOCCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100011215938 [0,2,0,0,0,0|2,0,0]=4 14373 B12R0.201 CCCOCCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100011215938 [0,2,0,0,0,0|2,0,0]=4 14374 B12R0.201 CCCOCCN[C@@H](CO)C(C)C 2230a_100011830312_100011215938 [0,2,0,0,0,0|2,0,0]=4 14375 B12R0.201 CCCOCCN[C@@H](CO)C(C)C 34a_100011830312_100011215938 [0,2,0,0,0,0|2,0,0]=4 14376 B12R0.201 CCCOCCN[C@H](CC)C(=O)O 269956a_100000747097_100011215938 [0,2,0,0,0,0|2,0,0]=4 14377 B12R0.201 CCCOCCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100011215938 [0,2,0,0,0,0|2,0,0]=4 14378 B12R0.201 CCCOCCN[C@H](CO)[C@@H](C)O 34a_100015196842_100011215938 [0,2,0,0,0,0|2,0,0]=4 14379 B12R0.201 CCOCCCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100012232248 [0,2,0,0,0,0|2,0,0]=4 14380 B12R0.201 CCOCCCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100012232248 [0,2,0,0,0,0|2,0,0]=4 14381 B12R0.201 CCOCCCN[C@@H](CO)C(C)C 2230a_100011830312_100012232248 [0,2,0,0,0,0|2,0,0]=4 14382 B12R0.201 CCOCCCN[C@@H](CO)C(C)C 34a_100011830312_100012232248 [0,2,0,0,0,0|2,0,0]=4 14383 B12R0.201 CCOCCCN[C@H](CC)C(=O)O 269956a_100000747097_100012232248 [0,2,0,0,0,0|2,0,0]=4 14384 B12R0.201 CCOCCCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100012232248 [0,2,0,0,0,0|2,0,0]=4 14385 B12R0.201 CCOCCCN[C@H](CO)[C@@H](C)O 34a_100015196842_100012232248 [0,2,0,0,0,0|2,0,0]=4 14386 B12R0.201 CCOCCNCC(CO)C(C)C 34a_100000692819_100000210147 [0,2,0,0,0,0|2,0,0]=4 14387 B12R0.201 CCSCCNCC(CO)C(C)C 34a_100000692819_100000757381 [0,2,0,0,0,0|2,0,0]=4 14388 B12R0.201 CC[C@@H](NCCCCCF)C(=O)O 269956a_100000747097_100000729378 [0,2,0,0,0,0|2,0,0]=4 14389 B12R0.201 CC[C@@H](NCCCCCO)C(=O)O 269956a_100000747097_100000746330 [0,2,0,0,0,0|2,0,0]=4 14390 B12R0.201 CC[C@@H](NCCCCOC)C(=O)O 269956a_100000747097_100000730899 [0,2,0,0,0,0|2,0,0]=4 14391 B12R0.201 CC[C@H](NCCCCCF)[C@@H](C)O 2230a_100161114882_100000729378 [0,2,0,0,0,0|2,0,0]=4 14392 B12R0.201 CC[C@H](NCCCCCF)[C@@H](C)O 34a_100161114882_100000729378 [0,2,0,0,0,0|2,0,0]=4 14393 B12R0.201 CC[C@H](NCCCCCO)[C@@H](C)O 2230a_100161114882_100000746330 [0,2,0,0,0,0|2,0,0]=4 14394 B12R0.201 CC[C@H](NCCCCCO)[C@@H](C)O 34a_100161114882_100000746330 [0,2,0,0,0,0|2,0,0]=4 14395 B12R0.201 CC[C@H](NCCCCOC)[C@@H](C)O 2230a_100161114882_100000730899 [0,2,0,0,0,0|2,0,0]=4 14396 B12R0.201 CC[C@H](NCCCCOC)[C@@H](C)O 34a_100161114882_100000755781 [0,2,0,0,0,0|2,0,0]=4 14397 B12R0.201 COCCCCN[C@@H](CO)C(C)C 2230a_100011830312_100000730899 [0,2,0,0,0,0|2,0,0]=4 14398 B12R0.201 COCCCCN[C@@H](CO)C(C)C 34a_100011830312_100000755781 [0,2,0,0,0,0|2,0,0]=4 14399 B12R0.201 COCCCCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000730899 [0,2,0,0,0,0|2,0,0]=4 14400 B12R0.201 COCCCCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000755781 [0,2,0,0,0,0|2,0,0]=4 14401 B12R0.201 COCCCNCC(CO)C(C)C 34a_100000692819_100000740836 [0,2,0,0,0,0|2,0,0]=4 14402 B12R0.201 C[C@@H](O)[C@@H](CO)NCCCCCF 2230a_100015196842_100000729378 [0,2,0,0,0,0|2,0,0]=4 14403 B12R0.201 C[C@@H](O)[C@@H](CO)NCCCCCF 34a_100015196842_100000729378 [0,2,0,0,0,0|2,0,0]=4 14404 B12R0.201 C[C@@H](O)[C@@H](CO)NCCCCCO 2230a_100015196842_100000746330 [0,2,0,0,0,0|2,0,0]=4 14405 B12R0.201 C[C@@H](O)[C@@H](CO)NCCCCCO 34a_100015196842_100000746330 [0,2,0,0,0,0|2,0,0]=4 14406 B12R0.237 CCCCCCCC(=O)C(C)(C)C 1458a_106744555173_100000210614 [0,2,0,0,0,0|0,0,2]=4 14407 B12R0.237 CCCCCCCC(=O)C(C)(C)F 1458a_100000765255_100000210614 [0,2,0,0,0,0|0,0,2]=4 14408 B12R0.237 CCCCCCCC(=O)C(C)(C)O 1458a_100000242741_100000210614 [0,2,0,0,0,0|0,0,2]=4 14409 B12R0.237 CCCCCCCN(C)C(C)(C)C 269982a_100000228206_100000210625 [0,2,0,0,0,0|2,0,0]=4 14410 B12R0.237 CCCCCCCN(C)C(C)(C)C 269982a_100011215553_100000210681 [0,2,0,0,0,0|2,0,0]=4 14411 B12R0.237 CCCCCCNC(C)C(C)(C)O 269862a_100000210581_100000747739 [0,2,0,0,0,0|2,0,0]=4 14412 B12R0.237 CCCCCCN[C@@H](C)C(C)(C)O 2230a_100025708725_100000210314 [0,2,0,0,0,0|2,0,0]=4 14413 B12R0.237 CCCCCCN[C@H](C)C(C)(C)C 2230a_100025703359_100000210314 [0,2,0,0,0,0|2,0,0]=4 14414 B12R0.237 CCCCCNCC(O)C(F)(F)F 2230a_100000743304_100000210326 [0,2,0,0,0,0|2,0,0]=4 14415 B12R0.237 CCCCCNCC(O)C(F)(F)F 34a_100000743304_100000718602 [0,2,0,0,0,0|2,0,0]=4 14416 B12R0.237 CCCCCOCC(O)C(F)(F)F 34a_100000210253_100000185343 [0,2,0,0,0,0|2,0,0]=4 14417 B12R0.237 CCCCCOCC(O)C(F)(F)F 7a_100000210253_100000185343 [0,2,0,0,0,0|2,0,0]=4 14418 B12R0.237 CCCCCSCC(O)C(F)(F)F 62a_100000185343_100000210326 [0,2,0,0,0,0|2,0,0]=4 14419 B12R0.237 CCCCCSCC(O)C(F)(F)F 62a_100000210326_100000185343 [0,2,0,0,0,0|2,0,0]=4 14420 B12R0.279 CCCC(=O)CNCC(O)C(C)C 2230a_100000759067_100000747444 [0,2,0,0,0,0|1,0,1]=4 14421 B12R0.279 CCCC(C)CNCC(O)C(C)C 2230a_100000759067_100011216630 [0,2,0,0,0,0|1,0,0]=3 14422 B12R0.279 CCCC(C)CNCC(O)C(C)C 270004a_100000759067_100000243154 [0,2,0,0,0,0|1,0,0]=3 14423 B12R0.279 CCCC(C)CNCC(O)C(C)C 34a_100000759067_100011216630 [0,2,0,0,0,0|1,0,0]=3 14424 B12R0.279 CCCC(C)COC[C@H](N)C(C)C 34a_100011830312_100011216630 [0,2,0,0,0,0|2,0,0]=4 14425 B12R0.279 CCCC(C)OCCC(N)C(C)C 34a_100161115045_100000766640 [0,2,0,0,0,0|2,0,0]=4 14426 B12R0.279 COCC(O)CNCC(O)C(C)C 34a_100000759067_100011215053 [0,2,0,0,0,0|2,0,0]=4 14427 B12R0.6 CCCCC(C)COC(C)(C)CC 7a_100011995851_100000210677 [0,2,0,0,0,0|2,0,0]=4 14428 B12R0.6 CCCCC(C)OCC(C)(C)CC 7a_100000765029_200011215066 [0,2,0,0,0,0|2,0,0]=4 14429 B12R0.131 CCC(C)CCCOC(C)(C)CC 7a_100011216074_100000210677 [0,2,0,0,0,0|2,0,0]=4 14430 B12R0.131 CCC(O)CNCCS(=O)(=O)CC 2230a_100000751051_100011218378 [0,2,0,0,0,0|2,0,0]=4 14431 B12R0.131 CCC(O)CNCCS(=O)(=O)CC 2230a_100011218483_100000756660 [0,2,0,0,0,0|2,0,0]=4 14432 B12R0.131 CCC(O)CNCCS(=O)(=O)CC 34a_100000751051_100011218378 [0,2,0,0,0,0|2,0,0]=4 14433 B12R0.131 CCC(O)COCCC(C)(C)OC 7a_100000699976_100011218378 [0,2,0,0,0,0|2,0,0]=4 14434 B12R0.131 CCC(O)COCCS(=O)(=O)CC 34a_200011216379_100011218378 [0,2,0,0,0,0|2,0,0]=4 14435 B12R0.131 CCC(O)COCCS(=O)(=O)CC 7a_200011216379_100011218378 [0,2,0,0,0,0|2,0,0]=4 14436 B12R0.131 CCC(O)CSCCS(=O)(=O)CC 62a_100000756660_100011218378 [0,2,0,0,0,0|2,0,0]=4 14437 B12R0.131 CCC(O)CSCCS(=O)(=O)CC 62a_100011218378_100000756660 [0,2,0,0,0,0|2,0,0]=4 14438 B12R0.210 CCC(C)(C)COCCCC(C)C 7a_100000765029_100011214892 [0,2,0,0,0,0|2,0,0]=4 14439 B12R0.210 CCC(C)(C)COCCCC(C)O 7a_100000765029_200000718107 [0,2,0,0,0,0|2,0,0]=4 14440 B12R0.210 CCC(C)(C)NCCCCC(C)C 2230a_100000211385_100011216152 [0,2,0,0,0,0|2,0,0]=4 14441 B12R0.210 CCC(C)(C)OCCCCC(C)C 7a_100000210230_100011216152 [0,2,0,0,0,0|2,0,0]=4 14442 B12R0.210 CCC(C)(C)OCCCCC(C)C 7a_100011214890_100000210677 [0,2,0,0,0,0|2,0,0]=4 14443 B12R0.210 CCC(C)(C)SCCCCC(C)C 62a_100000032637_100011216152 [0,2,0,0,0,0|2,0,0]=4 14444 B12R0.210 CCC(C)(C)SCCCCC(C)C 62a_100011216152_100000032637 [0,2,0,0,0,0|2,0,0]=4 14445 B12R0.318 CCC(C)(O)CC(=O)CCCCF 1458a_200011219800_100000729493 [0,2,0,0,0,0|1,0,1]=4 14446 B12R0.318 CCC(C)(O)CC(=O)CCCCO 1458a_200011219800_100000210776 [0,2,0,0,0,0|1,0,1]=4 14447 B12R0.318 CCC(C)(O)CC(=O)CCCOC 1458a_200011219800_100000740836 [0,2,0,0,0,0|1,0,1]=4 14448 B12R0.318 CCCCCC(=O)CC(C)(C)CC 1458a_200000763500_100000210326 [0,2,0,0,0,0|1,0,1]=4 14449 B12R0.318 CCCCCC(=O)CC(C)(O)CC 1458a_200011219800_100000210326 [0,2,0,0,0,0|0,0,1]=3 14450 B12R0.318 CCCCCC(C)NC(C)(C)CC 2230a_100000211385_200011218191 [0,2,0,0,0,0|2,0,0]=4 14451 B12R0.318 CCCCCC(C)NC(C)(C)CC 270004a_100000211385_100000211708 [0,2,0,0,0,0|2,0,0]=4 14452 B12R0.318 CCCCCC(C)OC(C)(C)CC 7a_100000210230_200011218191 [0,2,0,0,0,0|2,0,0]=4 14453 B12R0.318 CCCCCC(C)OC(C)(C)CC 7a_100011215632_100000210677 [0,2,0,0,0,0|2,0,0]=4 14454 B12R0.318 CCCCCC(C)SC(C)(C)CC 62a_100000032637_200011218191 [0,2,0,0,0,0|2,0,0]=4 14455 B12R0.318 CCCCCC(C)SC(C)(C)CC 62a_200011218191_100000032637 [0,2,0,0,0,0|2,0,0]=4 14456 B12R0.318 CCCCNC(=O)CC(C)(O)CC 240690a_100000102301_200011219800 [0,2,0,0,0,0|1,0,1]=4 14457 B12R0.318 CCCCNC(=O)CC(C)(O)CC 527a_100000102301_200011219800 [0,2,0,0,0,0|1,0,1]=4 14458 B12R0.318 CCOCCC(=O)CC(C)(O)CC 1458a_200011219800_100011215890 [0,2,0,0,0,0|1,0,1]=4 14459 B12R0.318 CCSCCC(=O)CC(C)(O)CC 1458a_200011219800_100000757381 [0,2,0,0,0,0|1,0,1]=4 14460 B12R0.324 CCC(C)(O)C(=O)CCCCCF 1458a_100011219770_100000729378 [0,2,0,0,0,0|1,0,1]=4 14461 B12R0.324 CCC(C)(O)C(=O)CCCCCO 1458a_100011219770_100000746330 [0,2,0,0,0,0|1,0,1]=4 14462 B12R0.324 CCC(C)(O)C(=O)CCCCOC 1458a_100011219770_100000755781 [0,2,0,0,0,0|1,0,1]=4 14463 B12R0.324 CCCCCCC(=O)C(C)(C)CC 1458a_100000749717_100000210757 [0,2,0,0,0,0|1,0,1]=4 14464 B12R0.324 CCCCCCC(=O)C(C)(O)CC 1458a_100011219770_100000210757 [0,2,0,0,0,0|0,0,1]=3 14465 B12R0.324 CCCCCCC(=O)C(F)(F)CC 1458a_100000061896_100000210757 [0,2,0,0,0,0|1,0,1]=4 14466 B12R0.324 CCCCCCN(C)C(C)(C)CC 2230a_200000755171_100000210314 [0,2,0,0,0,0|2,0,0]=4 14467 B12R0.324 CCCCCCN(C)C(C)(C)CC 269982a_106256046315_100000032637 [0,2,0,0,0,0|2,0,0]=4 14468 B12R0.324 CCCCCCN(C)C(C)(C)CC 269982a_200000755171_100000210757 [0,2,0,0,0,0|2,0,0]=4 14469 B12R0.324 CCCCCNC(=O)C(C)(O)CC 240690a_100000209983_100011219770 [0,2,0,0,0,0|1,0,1]=4 14470 B12R0.324 CCCCOCC(=O)C(C)(O)CC 1458a_100011219770_100011995733 [0,2,0,0,0,0|1,0,1]=4 14471 B12R0.324 CCCOCCC(=O)C(C)(O)CC 1458a_100011219770_100011215938 [0,2,0,0,0,0|1,0,1]=4 14472 B12R0.324 CCOCCCC(=O)C(C)(O)CC 1458a_100011219770_100012232248 [0,2,0,0,0,0|1,0,1]=4 14473 B12R0.435 C#CC(C)(CC)NCCCCCC 2230a_100000054623_100000210314 [0,2,0,0,0,0|2,0,0]=4 14474 B12R0.435 C#CC(C)(CC)OCCCCCC 34a_100000686493_100000210314 [0,2,0,0,0,0|2,0,0]=4 14475 B12R0.435 C#CC(C)(CC)OCCCCCC 7a_100000686493_100000210314 [0,2,0,0,0,0|2,0,0]=4 14476 B12R0.435 CCCCCCOC(C)(C#N)CC 7a_100000760259_100000210314 [0,2,0,0,0,0|2,0,0]=4 14477 B12R0.435 CCCCCCOC(C)(CC)CC 7a_100000210259_100009817345 [0,2,0,0,0,0|2,0,0]=4 14478 B12R0.435 CCCCCCOC(C)(CC)CC 7a_100000755174_100000210314 [0,2,0,0,0,0|2,0,0]=4 14479 B12R0.435 CCCCCCSC(C)(CC)CC 62a_100000210314_100009817345 [0,2,0,0,0,0|2,0,0]=4 14480 B12R0.435 CCCCCCSC(C)(CC)CC 62a_100009817345_100000210757 [0,2,0,0,0,0|2,0,0]=4 14481 B12R0.435 CCCCCNCC(C)(OC)OC 2230a_100000209983_100000064154 [0,2,0,0,0,0|2,0,0]=4 14482 B12R0.435 CCCCCNCC(C)(OC)OC 2230a_100000732740_100000210326 [0,2,0,0,0,0|2,0,0]=4 14483 B12R0.435 CCCCCOCC(C)(OC)OC 34a_100000210253_100000766008 [0,2,0,0,0,0|2,0,0]=4 14484 B12R0.435 CCCCCSCC(C)(OC)OC 62a_100000210326_100000766008 [0,2,0,0,0,0|2,0,0]=4 14485 B12R0.435 CCCCCSCC(C)(OC)OC 62a_100000766008_100000210326 [0,2,0,0,0,0|2,0,0]=4 14486 B12R0.573 CCCC(C)CCOC(C)(C)CC 7a_100011217855_100000210677 [0,2,0,0,0,0|2,0,0]=4 14487 B12R0.573 CCCC(C)COCC(C)(C)CC 7a_100000765029_100011216630 [0,2,0,0,0,0|2,0,0]=4 14488 B12R0.133 CCC(CNC(C)CCOC)OC 270004a_100000731041_100000742357 [0,2,0,0,0,0|2,0,0]=4 14489 B12R0.133 CCC(CNC(C)CCSC)OC 270004a_100000731041_100011217047 [0,2,0,0,0,0|2,0,0]=4 14490 B12R0.133 CCCCC(=O)CCC(OC)OC 1458a_100000210183_100000139399 [0,2,0,0,0,0|1,0,1]=4 14491 B12R0.133 CCCCC(=O)CCC(OC)OC 1458a_200000082759_100000210211 [0,2,0,0,0,0|1,0,1]=4 14492 B12R0.133 CCCCC(=O)NCC(CC)OC 11a_100000731041_100000210183 [0,2,0,0,0,0|1,0,1]=4 14493 B12R0.133 CCCCC(=O)NCC(CC)OC 1626a_100000731041_100000210183 [0,2,0,0,0,0|1,0,1]=4 14494 B12R0.133 CCCCC(=O)NCC(CC)OC 240690a_100000731041_100000210183 [0,2,0,0,0,0|1,0,1]=4 14495 B12R0.133 CCCCC(=O)NCC(CC)OC 527a_100000731041_100000210183 [0,2,0,0,0,0|1,0,1]=4 14496 B12R0.133 CCCCC(C)COC(CC)CC 7a_100011995851_100000210505 [0,2,0,0,0,0|2,0,0]=4 14497 B12R0.133 CCCCC(C)NCC(CC)CC 2230a_100000126638_100011215472 [0,2,0,0,0,0|2,0,0]=4 14498 B12R0.133 CCCCC(C)NCC(CC)CC 2230a_100102946423_200011215066 [0,2,0,0,0,0|2,0,0]=4 14499 B12R0.133 CCCCC(C)NCC(CC)CC 269862a_100000126638_100000211137 [0,2,0,0,0,0|2,0,0]=4 14500 B12R0.133 CCCCC(C)NCC(CC)CC 270004a_100000126638_100000211137 [0,2,0,0,0,0|2,0,0]=4 14501 B12R0.133 CCCCC(C)NCC(CC)CC 270004a_100102946423_100000210087 [0,2,0,0,0,0|2,0,0]=4 14502 B12R0.133 CCCCC(C)NCC(CC)OC 270004a_100000731041_100000210087 [0,2,0,0,0,0|1,0,0]=3 14503 B12R0.133 CCCCC(C)NCC(OC)OC 2230a_100000126638_100000751394 [0,2,0,0,0,0|2,0,0]=4 14504 B12R0.133 CCCCC(C)NCC(OC)OC 270004a_100000126638_100000752162 [0,2,0,0,0,0|2,0,0]=4 14505 B12R0.133 CCCCC(C)NCC(OC)OC 270004a_100000210479_100000210087 [0,2,0,0,0,0|2,0,0]=4 14506 B12R0.133 CCCCC(C)OCC(CC)CC 34a_100000687866_100011215472 [0,2,0,0,0,0|2,0,0]=4 14507 B12R0.133 CCCCC(C)OCC(CC)CC 7a_100000687866_100011215472 [0,2,0,0,0,0|2,0,0]=4 14508 B12R0.133 CCCCC(C)OCC(CC)CC 7a_100000703878_200011215066 [0,2,0,0,0,0|2,0,0]=4 14509 B12R0.133 CCCCC(C)OCC(CC)OC 34a_100011934954_200011215066 [0,2,0,0,0,0|1,0,0]=3 14510 B12R0.133 CCCCC(C)OCC(CC)OC 7a_100011934954_200011215066 [0,2,0,0,0,0|1,0,0]=3 14511 B12R0.133 CCCCC(C)OCC(OC)OC 34a_100000687866_100000211822 [0,2,0,0,0,0|2,0,0]=4 14512 B12R0.133 CCCCC(C)OCC(OC)OC 34a_100011216393_200011215066 [0,2,0,0,0,0|2,0,0]=4 14513 B12R0.133 CCCCC(C)OCC(OC)OC 7a_100000687866_100000751394 [0,2,0,0,0,0|2,0,0]=4 14514 B12R0.133 CCCCC(C)SCC(CC)CC 62a_100011215472_200011215066 [0,2,0,0,0,0|2,0,0]=4 14515 B12R0.133 CCCCC(C)SCC(CC)CC 62a_200011215066_100011215472 [0,2,0,0,0,0|2,0,0]=4 14516 B12R0.133 CCCCC(C)SCC(OC)OC 62a_100000751394_200011215066 [0,2,0,0,0,0|2,0,0]=4 14517 B12R0.133 CCCCC(C)SCC(OC)OC 62a_200011215066_100000751394 [0,2,0,0,0,0|2,0,0]=4 14518 B12R0.133 CCCCN(C)CCC(OC)OC 2230a_100000207549_100009813347 [0,2,0,0,0,0|2,0,0]=4 14519 B12R0.133 CCCCN(C)CCC(OC)OC 269982a_100000207549_100000139399 [0,2,0,0,0,0|2,0,0]=4 14520 B12R0.133 CCSCC(C)NCC(CC)OC 270004a_100000731041_200011216171 [0,2,0,0,0,0|2,0,0]=4 14521 B12R0.134 CCCCC(C)NC(=O)C(O)CC 240690a_100000126638_100011196387 [0,2,0,0,0,0|1,0,1]=4 14522 B12R0.134 CCCCC(C)NC(C)C(C)CC 269862a_100000126638_100000210599 [0,2,0,0,0,0|2,0,0]=4 14523 B12R0.134 CCCCC(C)NC(C)C(C)CC 270004a_100000126638_100000210599 [0,2,0,0,0,0|2,0,0]=4 14524 B12R0.134 CCCCC(C)OC(C)C(C)CC 7a_100011215189_200011215066 [0,2,0,0,0,0|2,0,0]=4 14525 B12R0.147 CCC(C)CC(=O)NCC(O)CC 11a_100011218483_100000708755 [0,2,0,0,0,0|1,0,1]=4 14526 B12R0.147 CCC(C)CC(=O)NCC(O)CC 240690a_100011218483_100000708755 [0,2,0,0,0,0|1,0,1]=4 14527 B12R0.147 CCC(C)CC(=O)NCC(O)CC 527a_100011218483_100000708755 [0,2,0,0,0,0|1,0,1]=4 14528 B12R0.147 CCC(C)CC(C)NCC(O)CC 2230a_100000763565_100011218378 [0,2,0,0,0,0|1,0,0]=3 14529 B12R0.147 CCC(C)CC(C)NCC(O)CC 270004a_100011218483_100011710205 [0,2,0,0,0,0|1,0,0]=3 14530 B12R0.147 CCC(C)CC(C)NCC(O)CO 2230a_100000763565_100011219619 [0,2,0,0,0,0|2,0,0]=4 14531 B12R0.147 CCC(C)CC(C)NC[C@@H](C)CC 2230a_100000763565_100009816398 [0,2,0,0,0,0|2,0,0]=4 14532 B12R0.147 CCC(C)CC(C)NC[C@@H](O)CF 2230a_100000763565_100015614560 [0,2,0,0,0,0|2,0,0]=4 14533 B12R0.147 CCC(C)CC(C)NC[C@@H](O)CO 2230a_100000763565_100009815848 [0,2,0,0,0,0|2,0,0]=4 14534 B12R0.147 CCC(C)CCC(=O)CC(C)CC 1458a_100000701222_100000748023 [0,2,0,0,0,0|1,0,1]=4 14535 B12R0.147 CCC(C)CCC(=O)CC(O)CC 1458a_100000701222_100011218378 [0,2,0,0,0,0|0,0,1]=3 14536 B12R0.147 CCC(C)CCC(=O)C[C@@H](C)CC 1458a_100000701222_100009816398 [0,2,0,0,0,0|1,0,1]=4 14537 B12R0.147 CCC(C)CCC(C)OC(C)CC 7a_200011216552_100000758301 [0,2,0,0,0,0|2,0,0]=4 14538 B12R0.147 CCC(C)CNC(=O)CC(O)CC 1626a_100020588543_100011667805 [0,2,0,0,0,0|1,0,1]=4 14539 B12R0.147 CCC(C)CNC(=O)CC(O)CC 240690a_100020588543_100011667805 [0,2,0,0,0,0|1,0,1]=4 14540 B12R0.147 CCC(C)CNC(C)CC(C)CC 2230a_100000763565_100000748023 [0,2,0,0,0,0|2,0,0]=4 14541 B12R0.147 CCC(C)CNC(C)CC(C)CC 270004a_100000763565_100000243153 [0,2,0,0,0,0|2,0,0]=4 14542 B12R0.147 CCC(C)CNC(C)CC(C)CC 270004a_100020588543_100011710205 [0,2,0,0,0,0|2,0,0]=4 14543 B12R0.147 CCC(O)CC(=O)CCN(C)CC 1458a_100000755305_100011218378 [0,2,0,0,0,0|1,0,1]=4 14544 B12R0.147 CCC(O)CC(=O)CCS(=O)CC 1458a_100011387550_100011218378 [0,2,0,0,0,0|1,0,1]=4 14545 B12R0.147 CCC(O)CCC(=O)NC(C)CC 1626a_100000209981_203496584001 [0,2,0,0,0,0|1,0,1]=4 14546 B12R0.147 CCC(O)CCC(=O)NC(C)CC 240690a_100000209981_203496584001 [0,2,0,0,0,0|1,0,1]=4 14547 B12R0.147 CCC(O)CNC(=O)CC(O)CC 240690a_100011218483_100011667805 [0,2,0,0,0,0|1,0,1]=4 14548 B12R0.189 C=C(C)CCC(C)NCC(O)CC 270004a_100011218483_100011215600 [0,2,0,0,0,0|1,0,1]=4 14549 B12R0.189 CC(C)CCC(C)NCC(O)CO 2230a_100138410893_100011219619 [0,2,0,0,0,0|2,0,0]=4 14550 B12R0.189 CC(C)CCC(C)NC[C@@H](O)CF 2230a_100138410893_100015614560 [0,2,0,0,0,0|2,0,0]=4 14551 B12R0.189 CC(C)CCC(C)NC[C@@H](O)CO 2230a_100138410893_100009815848 [0,2,0,0,0,0|2,0,0]=4 14552 B12R0.189 CC(C)CCC(C)NC[C@H](O)CO 2230a_100020644852_100011261404 [0,2,0,0,0,0|2,0,0]=4 14553 B12R0.189 CC(C)CCC(C)OCC(O)CO 34a_100011215350_100011219619 [0,2,0,0,0,0|2,0,0]=4 14554 B12R0.189 CC(C)CCC(C)OCC(O)CO 7a_100011215350_100011219619 [0,2,0,0,0,0|2,0,0]=4 14555 B12R0.189 CC(C)CCC(C)OC[C@@H](O)CF 34a_100011215350_100015614560 [0,2,0,0,0,0|2,0,0]=4 14556 B12R0.189 CC(C)CCC(C)OC[C@@H](O)CF 7a_100011215350_100015614560 [0,2,0,0,0,0|2,0,0]=4 14557 B12R0.189 CC(C)CCC(C)OC[C@@H](O)CO 34a_100011215350_100009815848 [0,2,0,0,0,0|2,0,0]=4 14558 B12R0.189 CC(C)CCC(C)OC[C@@H](O)CO 7a_100011215350_100009815848 [0,2,0,0,0,0|2,0,0]=4 14559 B12R0.189 CC(C)CCC(C)SCC(O)CO 62a_100011219619_100011261404 [0,2,0,0,0,0|2,0,0]=4 14560 B12R0.189 CC(C)CCC(C)SCC(O)CO 62a_100011261404_100011219619 [0,2,0,0,0,0|2,0,0]=4 14561 B12R0.189 CC(C)CCC(C)SC[C@@H](O)CF 62a_100011261404_100015614560 [0,2,0,0,0,0|2,0,0]=4 14562 B12R0.189 CC(C)CCC(C)SC[C@@H](O)CF 62a_100015614560_100011261404 [0,2,0,0,0,0|2,0,0]=4 14563 B12R0.189 CC(C)CCC(C)SC[C@@H](O)CO 62a_100009815848_100011261404 [0,2,0,0,0,0|2,0,0]=4 14564 B12R0.189 CC(C)CCC(C)SC[C@@H](O)CO 62a_100011261404_100009815848 [0,2,0,0,0,0|2,0,0]=4 14565 B12R0.189 CCC(C)CCC(=O)CCC(C)C 1458a_100000701222_100000210312 [0,2,0,0,0,0|1,0,1]=4 14566 B12R0.189 CCC(C)CCC(=O)CCC(C)O 1458a_100000701222_100012276601 [0,2,0,0,0,0|1,0,1]=4 14567 B12R0.189 CCC(C)CCC(C)OCC(C)C 7a_200011216552_100000210760 [0,2,0,0,0,0|2,0,0]=4 14568 B12R0.189 CCC(C)CCC(C)OCC(C)O 7a_200011216552_100011218427 [0,2,0,0,0,0|2,0,0]=4 14569 B12R0.189 CCC(C)CCC(C)OC[C@@H](C)O 7a_200011216552_100009817552 [0,2,0,0,0,0|2,0,0]=4 14570 B12R0.189 CCC(C)CNC(C)CCC(C)C 2230a_100020588543_100011261404 [0,2,0,0,0,0|2,0,0]=4 14571 B12R0.189 CCC(C)CNC(C)CCC(C)C 2230a_100138410893_100000748023 [0,2,0,0,0,0|2,0,0]=4 14572 B12R0.189 CCC(C)CNC(C)CCC(C)C 270004a_100020588543_100000210476 [0,2,0,0,0,0|2,0,0]=4 14573 B12R0.189 CCC(C)CNC(C)CCC(C)C 270004a_100138410893_100000243153 [0,2,0,0,0,0|2,0,0]=4 14574 B12R0.189 CCC(C)COC(C)CCC(C)C 34a_100011215350_100000748023 [0,2,0,0,0,0|2,0,0]=4 14575 B12R0.189 CCC(C)COC(C)CCC(C)C 7a_100011215350_100000748023 [0,2,0,0,0,0|2,0,0]=4 14576 B12R0.189 CCC(C)CSC(C)CCC(C)C 62a_100000748023_100011261404 [0,2,0,0,0,0|2,0,0]=4 14577 B12R0.189 CCC(C)CSC(C)CCC(C)C 62a_100011261404_100000748023 [0,2,0,0,0,0|2,0,0]=4 14578 B12R0.189 CCC(O)CCC(=O)NCC(C)C 1626a_100000210953_203496584001 [0,2,0,0,0,0|1,0,1]=4 14579 B12R0.189 CCC(O)CCC(=O)NCC(C)C 240690a_100000210953_203496584001 [0,2,0,0,0,0|1,0,1]=4 14580 B12R0.189 CCC(O)CCC(=O)NCC(C)O 240690a_100000210904_203496584001 [0,2,0,0,0,0|1,0,1]=4 14581 B12R0.189 CCC(O)CNC(=O)CCC(C)C 11a_100011218483_100000181311 [0,2,0,0,0,0|1,0,1]=4 14582 B12R0.189 CCC(O)CNC(=O)CCC(C)C 240690a_100011218483_100000181311 [0,2,0,0,0,0|1,0,1]=4 14583 B12R0.189 CCC(O)CNC(=O)CCC(C)C 527a_100011218483_100000181311 [0,2,0,0,0,0|1,0,1]=4 14584 B12R0.189 CCC(O)CNC(C)CCC(C)C 2230a_100011218483_100011261404 [0,2,0,0,0,0|1,0,0]=3 14585 B12R0.189 CCC(O)CNC(C)CCC(C)C 2230a_100138410893_100011218378 [0,2,0,0,0,0|1,0,0]=3 14586 B12R0.189 CCC(O)CNC(C)CCC(C)C 270004a_100011218483_100000210476 [0,2,0,0,0,0|1,0,0]=3 14587 B12R0.189 CCC(O)COC(C)CCC(C)C 34a_100011215350_100011218378 [0,2,0,0,0,0|1,0,0]=3 14588 B12R0.189 CCC(O)COC(C)CCC(C)C 7a_100011215350_100011218378 [0,2,0,0,0,0|1,0,0]=3 14589 B12R0.189 CCC(O)CSC(C)CCC(C)C 62a_100011218378_100011261404 [0,2,0,0,0,0|1,0,0]=3 14590 B12R0.189 CCC(O)CSC(C)CCC(C)C 62a_100011261404_100011218378 [0,2,0,0,0,0|1,0,0]=3 14591 B12R0.189 CC[C@H](C)CNC(C)CCC(C)C 2230a_100138410893_100009816398 [0,2,0,0,0,0|2,0,0]=4 14592 B12R0.189 CC[C@H](C)COC(C)CCC(C)C 34a_100011215350_100009816398 [0,2,0,0,0,0|2,0,0]=4 14593 B12R0.189 CC[C@H](C)COC(C)CCC(C)C 7a_100011215350_100009816398 [0,2,0,0,0,0|2,0,0]=4 14594 B12R0.189 CC[C@H](C)CSC(C)CCC(C)C 62a_100009816398_100011261404 [0,2,0,0,0,0|2,0,0]=4 14595 B12R0.189 CC[C@H](C)CSC(C)CCC(C)C 62a_100011261404_100009816398 [0,2,0,0,0,0|2,0,0]=4 14596 B12R0.193 CCCC(C)C(=O)CCC(C)CC 1458a_100000701222_100000766640 [0,2,0,0,0,0|1,0,1]=4 14597 B12R0.193 CCCC(C)C(=O)NCC(O)CC 11a_100011218483_100000210906 [0,2,0,0,0,0|1,0,1]=4 14598 B12R0.193 CCCC(C)C(=O)NCC(O)CC 240690a_100011218483_100000210906 [0,2,0,0,0,0|1,0,1]=4 14599 B12R0.193 CCCC(C)C(=O)NCC(O)CC 527a_100011218483_100000210906 [0,2,0,0,0,0|1,0,1]=4 14600 B12R0.193 CCCC(C)C(C)NCC(C)CC 270004a_100020588543_100011216282 [0,2,0,0,0,0|2,0,0]=4 14601 B12R0.193 CCCC(C)C(C)NCC(O)CC 270004a_100011218483_100011216282 [0,2,0,0,0,0|1,0,0]=3 14602 B12R0.193 CCCC(C)C(C)OCC(C)CC 34a_100000708338_100000748023 [0,2,0,0,0,0|2,0,0]=4 14603 B12R0.193 CCCC(C)C(C)OCC(C)CC 7a_100000708338_100000748023 [0,2,0,0,0,0|2,0,0]=4 14604 B12R0.193 CCCC(C)C(C)OCC(O)CC 34a_100000708338_100011218378 [0,2,0,0,0,0|1,0,0]=3 14605 B12R0.193 CCCC(C)C(C)OCC(O)CC 7a_100000708338_100011218378 [0,2,0,0,0,0|1,0,0]=3 14606 B12R0.193 CCCC(C)C(C)OCC(O)CO 34a_100000708338_100011219619 [0,2,0,0,0,0|2,0,0]=4 14607 B12R0.193 CCCC(C)C(C)OCC(O)CO 7a_100000708338_100011219619 [0,2,0,0,0,0|2,0,0]=4 14608 B12R0.193 CCCC(C)C(C)OC[C@@H](C)CC 34a_100000708338_100009816398 [0,2,0,0,0,0|2,0,0]=4 14609 B12R0.193 CCCC(C)C(C)OC[C@@H](C)CC 7a_100000708338_100009816398 [0,2,0,0,0,0|2,0,0]=4 14610 B12R0.193 CCCC(C)C(C)OC[C@@H](O)CF 34a_100000708338_100015614560 [0,2,0,0,0,0|2,0,0]=4 14611 B12R0.193 CCCC(C)C(C)OC[C@@H](O)CF 7a_100000708338_100015614560 [0,2,0,0,0,0|2,0,0]=4 14612 B12R0.193 CCCC(C)C(C)OC[C@@H](O)CO 34a_100000708338_100009815848 [0,2,0,0,0,0|2,0,0]=4 14613 B12R0.193 CCCC(C)C(C)OC[C@@H](O)CO 7a_100000708338_100009815848 [0,2,0,0,0,0|2,0,0]=4 14614 B12R0.193 CCCN(C)C(=O)CCC(O)CC 1626a_100000747261_203496584001 [0,2,0,0,0,0|1,0,1]=4 14615 B12R0.193 CCCN(C)C(=O)CCC(O)CC 240690a_100000747261_203496584001 [0,2,0,0,0,0|1,0,1]=4 14616 B12R0.193 CCC[C@H](O)C(=O)NCC(O)CC 240690a_100011218483_100009822183 [0,2,0,0,0,0|1,0,1]=4 14617 B12R0.216 C#CC(CCCC)OCC(C)CC 34a_200011217967_100000748023 [0,2,0,0,0,0|2,0,0]=4 14618 B12R0.216 C#CC(CCCC)OCC(C)CC 7a_200011217967_100000748023 [0,2,0,0,0,0|2,0,0]=4 14619 B12R0.216 C#CC(CCCC)OCC(O)CC 34a_200011217967_100011218378 [0,2,0,0,0,0|1,0,0]=3 14620 B12R0.216 C#CC(CCCC)OCC(O)CC 7a_200011217967_100011218378 [0,2,0,0,0,0|1,0,0]=3 14621 B12R0.216 C#CC(CCCC)OCC(O)CO 34a_200011217967_100011219619 [0,2,0,0,0,0|2,0,0]=4 14622 B12R0.216 C#CC(CCCC)OCC(O)CO 7a_200011217967_100011219619 [0,2,0,0,0,0|2,0,0]=4 14623 B12R0.216 C#CC(CCCC)OC[C@@H](C)CC 34a_200011217967_100009816398 [0,2,0,0,0,0|2,0,0]=4 14624 B12R0.216 C#CC(CCCC)OC[C@@H](C)CC 7a_200011217967_100009816398 [0,2,0,0,0,0|2,0,0]=4 14625 B12R0.216 C#CC(CCCC)OC[C@@H](O)CF 34a_200011217967_100015614560 [0,2,0,0,0,0|2,0,0]=4 14626 B12R0.216 C#CC(CCCC)OC[C@@H](O)CF 7a_200011217967_100015614560 [0,2,0,0,0,0|2,0,0]=4 14627 B12R0.216 C#CC(CCCC)OC[C@@H](O)CO 34a_200011217967_100009815848 [0,2,0,0,0,0|2,0,0]=4 14628 B12R0.216 C#CC(CCCC)OC[C@@H](O)CO 7a_200011217967_100009815848 [0,2,0,0,0,0|2,0,0]=4 14629 B12R0.216 C=CC(CCCC)OCC(C)CC 34a_200011215037_100000748023 [0,2,0,0,0,0|2,0,0]=4 14630 B12R0.216 C=CC(CCCC)OCC(C)CC 7a_200011215037_100000748023 [0,2,0,0,0,0|2,0,0]=4 14631 B12R0.216 C=CC(CCCC)OCC(O)CC 34a_200011215037_100011218378 [0,2,0,0,0,0|1,0,0]=3 14632 B12R0.216 C=CC(CCCC)OCC(O)CC 7a_200011215037_100011218378 [0,2,0,0,0,0|1,0,0]=3 14633 B12R0.216 C=CC(CCCC)OCC(O)CO 34a_200011215037_100011219619 [0,2,0,0,0,0|2,0,0]=4 14634 B12R0.216 C=CC(CCCC)OCC(O)CO 7a_200011215037_100011219619 [0,2,0,0,0,0|2,0,0]=4 14635 B12R0.216 C=CC(CCCC)OC[C@@H](C)CC 34a_200011215037_100009816398 [0,2,0,0,0,0|2,0,0]=4 14636 B12R0.216 C=CC(CCCC)OC[C@@H](C)CC 7a_200011215037_100009816398 [0,2,0,0,0,0|2,0,0]=4 14637 B12R0.216 C=CC(CCCC)OC[C@@H](O)CF 34a_200011215037_100015614560 [0,2,0,0,0,0|2,0,0]=4 14638 B12R0.216 C=CC(CCCC)OC[C@@H](O)CF 7a_200011215037_100015614560 [0,2,0,0,0,0|2,0,0]=4 14639 B12R0.216 C=CC(CCCC)OC[C@@H](O)CO 34a_200011215037_100009815848 [0,2,0,0,0,0|2,0,0]=4 14640 B12R0.216 C=CC(CCCC)OC[C@@H](O)CO 7a_200011215037_100009815848 [0,2,0,0,0,0|2,0,0]=4 14641 B12R0.216 CCC(O)CN[C@H](CO)CCSC 2230a_100011827619_100011218378 [0,2,0,0,0,0|2,0,0]=4 14642 B12R0.216 CCCCC(CC)CCC(=O)CC 1458a_100011216959_100000210202 [0,2,0,0,0,0|0,0,2]=4 14643 B12R0.216 CCCCC(CC)CNC(C)CC 2230a_100000209976_100000758301 [0,2,0,0,0,0|2,0,0]=4 14644 B12R0.216 CCCCC(CC)CNC(C)CC 2230a_100000209981_100000211942 [0,2,0,0,0,0|2,0,0]=4 14645 B12R0.216 CCCCC(CC)CNC(C)CC 269862a_100000209981_100011219736 [0,2,0,0,0,0|2,0,0]=4 14646 B12R0.216 CCCCC(CC)CNC(C)CC 270004a_100000209981_100011219736 [0,2,0,0,0,0|2,0,0]=4 14647 B12R0.216 CCCCC(CC)COC(C)CC 34a_100000210273_100011215416 [0,2,0,0,0,0|2,0,0]=4 14648 B12R0.216 CCCCC(CC)COC(C)CC 7a_100000210228_100000211942 [0,2,0,0,0,0|2,0,0]=4 14649 B12R0.216 CCCCC(CC)COC(C)CC 7a_100000210273_100000758301 [0,2,0,0,0,0|2,0,0]=4 14650 B12R0.216 CCCCC(CC)CSC(C)CC 62a_100000211942_100000758301 [0,2,0,0,0,0|2,0,0]=4 14651 B12R0.216 CCCCC(CC)CSC(C)CC 62a_100000758301_100000211942 [0,2,0,0,0,0|2,0,0]=4 14652 B12R0.216 CCCCC(CC)NCC(C)CC 270004a_100020588543_100000753412 [0,2,0,0,0,0|2,0,0]=4 14653 B12R0.216 CCCCC(CC)NCC(O)CC 270004a_100011218483_100000753412 [0,2,0,0,0,0|1,0,0]=3 14654 B12R0.216 CCCCC(CC)OCC(C)CC 34a_100011215227_100000748023 [0,2,0,0,0,0|2,0,0]=4 14655 B12R0.216 CCCCC(CC)OCC(C)CC 7a_100011215227_100000748023 [0,2,0,0,0,0|2,0,0]=4 14656 B12R0.216 CCCCC(CC)OCC(O)CC 34a_100011215227_100011218378 [0,2,0,0,0,0|1,0,0]=3 14657 B12R0.216 CCCCC(CC)OCC(O)CC 7a_100011215227_100011218378 [0,2,0,0,0,0|1,0,0]=3 14658 B12R0.216 CCCCC(CC)OCC(O)CO 34a_100011215227_100011219619 [0,2,0,0,0,0|2,0,0]=4 14659 B12R0.216 CCCCC(CC)OCC(O)CO 7a_100011215227_100011219619 [0,2,0,0,0,0|2,0,0]=4 14660 B12R0.216 CCCCC(CC)OC[C@@H](C)CC 34a_100011215227_100009816398 [0,2,0,0,0,0|2,0,0]=4 14661 B12R0.216 CCCCC(CC)OC[C@@H](C)CC 7a_100009816381_200011216223 [0,2,0,0,0,0|2,0,0]=4 14662 B12R0.216 CCCCC(CC)OC[C@@H](C)CC 7a_100011215227_100009816398 [0,2,0,0,0,0|2,0,0]=4 14663 B12R0.216 CCCCC(CC)OC[C@@H](O)CF 34a_100011215227_100015614560 [0,2,0,0,0,0|2,0,0]=4 14664 B12R0.216 CCCCC(CC)OC[C@@H](O)CF 7a_100011215227_100015614560 [0,2,0,0,0,0|2,0,0]=4 14665 B12R0.216 CCCCC(CC)OC[C@@H](O)CO 34a_100011215227_100009815848 [0,2,0,0,0,0|2,0,0]=4 14666 B12R0.216 CCCCC(CC)OC[C@@H](O)CO 7a_100011215227_100009815848 [0,2,0,0,0,0|2,0,0]=4 14667 B12R0.216 CCCCC(CC)SCC(C)CC 62a_100000748023_200011216223 [0,2,0,0,0,0|2,0,0]=4 14668 B12R0.216 CCCCC(CC)SCC(C)CC 62a_200011216223_100000748023 [0,2,0,0,0,0|2,0,0]=4 14669 B12R0.216 CCCCC(CC)SCC(O)CC 62a_100011218378_200011216223 [0,2,0,0,0,0|1,0,0]=3 14670 B12R0.216 CCCCC(CC)SCC(O)CC 62a_200011216223_100011218378 [0,2,0,0,0,0|1,0,0]=3 14671 B12R0.216 CCCCC(CC)SCC(O)CO 62a_100011219619_200011216223 [0,2,0,0,0,0|2,0,0]=4 14672 B12R0.216 CCCCC(CC)SCC(O)CO 62a_200011216223_100011219619 [0,2,0,0,0,0|2,0,0]=4 14673 B12R0.216 CCCCC(CC)SC[C@@H](C)CC 62a_100009816398_200011216223 [0,2,0,0,0,0|2,0,0]=4 14674 B12R0.216 CCCCC(CC)SC[C@@H](C)CC 62a_200011216223_100009816398 [0,2,0,0,0,0|2,0,0]=4 14675 B12R0.216 CCCCC(CC)SC[C@@H](O)CF 62a_100015614560_200011216223 [0,2,0,0,0,0|2,0,0]=4 14676 B12R0.216 CCCCC(CC)SC[C@@H](O)CF 62a_200011216223_100015614560 [0,2,0,0,0,0|2,0,0]=4 14677 B12R0.216 CCCCC(CC)SC[C@@H](O)CO 62a_100009815848_200011216223 [0,2,0,0,0,0|2,0,0]=4 14678 B12R0.216 CCCCC(CC)SC[C@@H](O)CO 62a_200011216223_100009815848 [0,2,0,0,0,0|2,0,0]=4 14679 B12R0.216 CCCC[C@@H](CO)NCC(C)CC 2230a_100011934283_100000748023 [0,2,0,0,0,0|2,0,0]=4 14680 B12R0.216 CCCC[C@@H](CO)NCC(C)CC 270004a_100011934283_100000243153 [0,2,0,0,0,0|2,0,0]=4 14681 B12R0.216 CCCC[C@@H](CO)NCC(C)CC 34a_100011934283_100000748023 [0,2,0,0,0,0|2,0,0]=4 14682 B12R0.216 CCCC[C@@H](CO)NCC(O)CC 2230a_100011934283_100011218378 [0,2,0,0,0,0|1,0,0]=3 14683 B12R0.216 CCCC[C@@H](CO)NCC(O)CC 34a_100011934283_100011218378 [0,2,0,0,0,0|1,0,0]=3 14684 B12R0.216 CCCC[C@@H](CO)NCC(O)CO 2230a_100011934283_100011219619 [0,2,0,0,0,0|2,0,0]=4 14685 B12R0.216 CCCC[C@@H](CO)NCC(O)CO 34a_100011934283_100011219619 [0,2,0,0,0,0|2,0,0]=4 14686 B12R0.216 CCCC[C@@H](CO)NC[C@@H](C)CC 2230a_100011934283_100009816398 [0,2,0,0,0,0|2,0,0]=4 14687 B12R0.216 CCCC[C@@H](CO)NC[C@@H](C)CC 34a_100011934283_100009816398 [0,2,0,0,0,0|2,0,0]=4 14688 B12R0.216 CCCC[C@@H](CO)NC[C@@H](O)CF 2230a_100011934283_100015614560 [0,2,0,0,0,0|2,0,0]=4 14689 B12R0.216 CCCC[C@@H](CO)NC[C@@H](O)CF 34a_100011934283_100015614560 [0,2,0,0,0,0|2,0,0]=4 14690 B12R0.216 CCCC[C@@H](CO)NC[C@@H](O)CO 2230a_100011934283_100009815848 [0,2,0,0,0,0|2,0,0]=4 14691 B12R0.216 CCCC[C@@H](CO)NC[C@@H](O)CO 34a_100011934283_100009815848 [0,2,0,0,0,0|2,0,0]=4 14692 B12R0.216 CCOCC(CN)OCC(O)CC 34a_102515437182_100011218378 [0,2,0,0,0,0|2,0,0]=4 14693 B12R0.252 CCC(O)CC(=O)C(O)CCSC 1458a_100000685904_100011218378 [0,2,0,0,0,0|1,0,1]=4 14694 B12R0.252 CCCCC(C)C(=O)CC(C)CC 1458a_100000708755_200011215066 [0,2,0,0,0,0|1,0,1]=4 14695 B12R0.252 CCCCC(C)C(=O)CC(C)CC 1458a_100000725509_100000748023 [0,2,0,0,0,0|1,0,1]=4 14696 B12R0.252 CCCCC(C)C(=O)CC(O)CC 1458a_100000725509_100011218378 [0,2,0,0,0,0|0,0,1]=3 14697 B12R0.252 CCCCC(C)C(=O)CC(O)CC 1458a_100011667805_200011215066 [0,2,0,0,0,0|0,0,1]=3 14698 B12R0.252 CCCCC(C)C(=O)C[C@@H](C)CC 1458a_100000725509_100009816398 [0,2,0,0,0,0|1,0,1]=4 14699 B12R0.252 CCCCC(C)N(C)CC(C)CC 2230a_100000753921_200011215066 [0,2,0,0,0,0|2,0,0]=4 14700 B12R0.252 CCCCC(C)N(C)CC(C)CC 269982a_100000753921_200011215066 [0,2,0,0,0,0|2,0,0]=4 14701 B12R0.252 CCCCC(C)N(C)CC(C)CC 270004a_100000753921_100000210087 [0,2,0,0,0,0|2,0,0]=4 14702 B12R0.252 CCCCC(C)N(C)CC(O)CO 2230a_100011216503_200011215066 [0,2,0,0,0,0|2,0,0]=4 14703 B12R0.252 CCCCC(C)N(C)CC(O)CO 269982a_100011216503_200011215066 [0,2,0,0,0,0|2,0,0]=4 14704 B12R0.252 CCCCC(C)N(C)CC(O)CO 270004a_100011216503_100000210087 [0,2,0,0,0,0|2,0,0]=4 14705 B12R0.252 CCCCC(O)C(=O)CC(C)CC 1458a_100000720857_100000748023 [0,2,0,0,0,0|1,0,1]=4 14706 B12R0.252 CCCCC(O)C(=O)CC(O)CC 1458a_100000720857_100011218378 [0,2,0,0,0,0|0,0,1]=3 14707 B12R0.252 CCCCC(O)C(=O)C[C@@H](C)CC 1458a_100000720857_100009816398 [0,2,0,0,0,0|1,0,1]=4 14708 B12R0.252 CCCCN(C)C(=O)CC(O)CC 1626a_100000207549_100011667805 [0,2,0,0,0,0|1,0,1]=4 14709 B12R0.252 CCCCN(C)C(=O)CC(O)CC 240690a_100000207549_100011667805 [0,2,0,0,0,0|1,0,1]=4 14710 B12R0.252 CCCCN(C)C(C)CC(C)CC 270004a_100000207549_100011710205 [0,2,0,0,0,0|2,0,0]=4 14711 B12R0.328 CCC(O)COC(C)(C)CCCBr 7a_100009888830_100011218378 [0,2,0,0,0,0|2,0,0]=4 14712 B12R0.328 CCCCC(C)(C)COC(C)CC 7a_200011995781_100000758301 [0,2,0,0,0,0|2,0,0]=4 14713 B12R0.328 CCCCC(C)(C)OCC(C)CC 7a_100011219641_100000748023 [0,2,0,0,0,0|2,0,0]=4 14714 B12R0.328 CCCCC(C)(C)OCC(O)CC 7a_100011219641_100011218378 [0,2,0,0,0,0|1,0,0]=3 14715 B12R0.328 CCCCC(C)(C)OCC(O)CO 7a_100011219641_100011219619 [0,2,0,0,0,0|2,0,0]=4 14716 B12R0.328 CCCCC(C)(C)OC[C@@H](C)CC 7a_100011219641_100009816398 [0,2,0,0,0,0|2,0,0]=4 14717 B12R0.328 CCCCC(C)(C)OC[C@@H](O)CF 7a_100011219641_100015614560 [0,2,0,0,0,0|2,0,0]=4 14718 B12R0.328 CCCCC(C)(C)OC[C@@H](O)CO 7a_100011219641_100009815848 [0,2,0,0,0,0|2,0,0]=4 14719 B12R0.328 CCCCS(=O)(=O)NCC(O)CC 270084a_100011218483_100000212082 [0,2,0,0,0,0|2,0,0]=4 14720 B12R0.328 CCCCS(=O)(=O)NCC(O)CC 274078a_100011218483_100000212082 [0,2,0,0,0,0|2,0,0]=4 14721 B12R0.328 CCCCS(=O)(=O)NCC(O)CC 40a_100011218483_100000054263 [0,2,0,0,0,0|2,0,0]=4 14722 B12R0.130 CCC(C)CCCOC(CC)CC 7a_100011216074_100000210505 [0,2,0,0,0,0|2,0,0]=4 14723 B12R0.130 CCC(C)CCNCC(CC)CC 2230a_100020591266_100011215472 [0,2,0,0,0,0|2,0,0]=4 14724 B12R0.130 CCC(C)CCNCC(CC)CC 269862a_100020591266_100000211137 [0,2,0,0,0,0|2,0,0]=4 14725 B12R0.130 CCC(C)CCNCC(CC)CC 270004a_100020591266_100000211137 [0,2,0,0,0,0|2,0,0]=4 14726 B12R0.130 CCC(C)CCNCC(OC)OC 2230a_100020591266_100000751394 [0,2,0,0,0,0|2,0,0]=4 14727 B12R0.130 CCC(C)CCNCC(OC)OC 270004a_100020591266_100000752162 [0,2,0,0,0,0|2,0,0]=4 14728 B12R0.130 CCC(C)CCOCC(CC)CC 7a_100011215188_100011215472 [0,2,0,0,0,0|2,0,0]=4 14729 B12R0.130 CCC(C)CCOCC(OC)OC 7a_100011215188_100000751394 [0,2,0,0,0,0|2,0,0]=4 14730 B12R0.130 CCC(C)CNCCC(OC)OC 2230a_100020588543_100009813347 [0,2,0,0,0,0|2,0,0]=4 14731 B12R0.130 CCC(C)CSCCC(OC)OC 62a_100000139399_100000748023 [0,2,0,0,0,0|2,0,0]=4 14732 B12R0.130 CCC(C)CSCCC(OC)OC 62a_100000748023_100000139399 [0,2,0,0,0,0|2,0,0]=4 14733 B12R0.130 CCC(C)NCCCC(OC)OC 2230a_100000209981_100000069011 [0,2,0,0,0,0|2,0,0]=4 14734 B12R0.130 CCC(C)OCCCC(OC)OC 7a_100000210228_100000069011 [0,2,0,0,0,0|2,0,0]=4 14735 B12R0.130 CCC(C)SCCCC(OC)OC 62a_100000069011_100000758301 [0,2,0,0,0,0|2,0,0]=4 14736 B12R0.130 CCC(C)SCCCC(OC)OC 62a_100000758301_100000069011 [0,2,0,0,0,0|2,0,0]=4 14737 B12R0.130 CCC(O)CNCCC(OC)OC 2230a_100011218483_100009813347 [0,2,0,0,0,0|2,0,0]=4 14738 B12R0.130 CCC(O)CNCCN(CC)CC 2230a_100011218483_100000700428 [0,2,0,0,0,0|2,0,0]=4 14739 B12R0.130 CCC(O)CNCCN(CC)CC 2230a_100015382049_100011218378 [0,2,0,0,0,0|2,0,0]=4 14740 B12R0.130 CCC(O)COCCN(CC)CC 7a_100016990331_100011218378 [0,2,0,0,0,0|2,0,0]=4 14741 B12R0.130 CCC(O)CSCCC(OC)OC 62a_100000139399_100011218378 [0,2,0,0,0,0|2,0,0]=4 14742 B12R0.130 CCC(O)CSCCC(OC)OC 62a_100011218378_100000139399 [0,2,0,0,0,0|2,0,0]=4 14743 B12R0.130 CCC(O)CSCCN(CC)CC 62a_100011218378_100000700428 [0,2,0,0,0,0|2,0,0]=4 14744 B12R0.130 CC[C@@H](CO)NCCCN(C)CC 2230a_100000709445_100015186262 [0,2,0,0,0,0|2,0,0]=4 14745 B12R0.130 CC[C@H](C)COCCC(OC)OC 7a_100009816381_100009813347 [0,2,0,0,0,0|2,0,0]=4 14746 B12R0.130 CC[C@H](C)CSCCC(OC)OC 62a_100000139399_100009816398 [0,2,0,0,0,0|2,0,0]=4 14747 B12R0.130 CC[C@H](C)CSCCC(OC)OC 62a_100009816398_100000139399 [0,2,0,0,0,0|2,0,0]=4 14748 B12R0.156 CCC(C)CCNC(=O)C(O)CC 240690a_100020591266_100011196387 [0,2,0,0,0,0|1,0,1]=4 14749 B12R0.156 CCC(C)CCNC(C)C(C)CC 269862a_100020591266_100000210599 [0,2,0,0,0,0|2,0,0]=4 14750 B12R0.156 CCC(C)CCNC(C)C(C)CC 270004a_100020591266_100000210599 [0,2,0,0,0,0|2,0,0]=4 14751 B12R0.156 CCC(O)C(=O)CCCN(C)CC 1458a_100011196387_100015186262 [0,2,0,0,0,0|1,0,1]=4 14752 B12R0.156 CCC(O)COCC(C)N(C)CC 7a_100000732741_100011218378 [0,2,0,0,0,0|2,0,0]=4 14753 B12R0.35 C#CC(CC)OCCCCC(C)C 34a_100000758843_100011216152 [0,2,0,0,0,0|2,0,0]=4 14754 B12R0.35 C#CC(CC)OCCCCC(C)C 7a_100000758843_100011216152 [0,2,0,0,0,0|2,0,0]=4 14755 B12R0.35 C=CC(CC)OCCCCC(C)C 34a_100000766422_100011216152 [0,2,0,0,0,0|2,0,0]=4 14756 B12R0.35 C=CC(CC)OCCCCC(C)C 7a_100000766422_100011216152 [0,2,0,0,0,0|2,0,0]=4 14757 B12R0.35 CC(C)CCCCNC(CO)CO 2230a_100000759517_100011216152 [0,2,0,0,0,0|2,0,0]=4 14758 B12R0.35 CCC(CC)CNCCCC(C)C 2230a_100102946423_100011214892 [0,2,0,0,0,0|2,0,0]=4 14759 B12R0.35 CCC(CC)CNCCCC(C)C 2230a_200000737386_100011215472 [0,2,0,0,0,0|2,0,0]=4 14760 B12R0.35 CCC(CC)CNCCCC(C)C 269862a_200000737386_100000211137 [0,2,0,0,0,0|2,0,0]=4 14761 B12R0.35 CCC(CC)CNCCCC(C)C 270004a_200000737386_100000211137 [0,2,0,0,0,0|2,0,0]=4 14762 B12R0.35 CCC(CC)CNCCCC(C)C 34a_200000737386_100011215472 [0,2,0,0,0,0|2,0,0]=4 14763 B12R0.35 CCC(CC)CNCCCC(C)O 2230a_100102946423_200000718107 [0,2,0,0,0,0|2,0,0]=4 14764 B12R0.35 CCC(CC)COCCCC(C)C 34a_100000210774_100011215472 [0,2,0,0,0,0|2,0,0]=4 14765 B12R0.35 CCC(CC)COCCCC(C)C 7a_100000210774_100011215472 [0,2,0,0,0,0|2,0,0]=4 14766 B12R0.35 CCC(CC)COCCCC(C)C 7a_100000703878_100011214892 [0,2,0,0,0,0|2,0,0]=4 14767 B12R0.35 CCC(CC)COCCCC(C)O 7a_100000703878_200000718107 [0,2,0,0,0,0|2,0,0]=4 14768 B12R0.35 CCC(CC)CSCCCC(C)C 62a_100011214892_100011215472 [0,2,0,0,0,0|2,0,0]=4 14769 B12R0.35 CCC(CC)CSCCCC(C)C 62a_100011215472_100011214892 [0,2,0,0,0,0|2,0,0]=4 14770 B12R0.35 CCC(CC)CSCCCC(C)O 62a_100011215472_200000718107 [0,2,0,0,0,0|2,0,0]=4 14771 B12R0.35 CCC(CC)CSCCCC(C)O 62a_200000718107_100011215472 [0,2,0,0,0,0|2,0,0]=4 14772 B12R0.35 CCC(CC)NCCCCC(C)C 2230a_100000199018_100011216152 [0,2,0,0,0,0|2,0,0]=4 14773 B12R0.35 CCC(CC)OCCCCC(C)C 7a_100000688536_100011216152 [0,2,0,0,0,0|2,0,0]=4 14774 B12R0.35 CCC(CC)OCCCCC(C)C 7a_100011214890_100000210505 [0,2,0,0,0,0|2,0,0]=4 14775 B12R0.35 CCC(CC)SCCCCC(C)C 62a_100000210505_100011216152 [0,2,0,0,0,0|2,0,0]=4 14776 B12R0.35 CCC(CC)SCCCCC(C)C 62a_100011216152_100000210505 [0,2,0,0,0,0|2,0,0]=4 14777 B12R0.35 CCC(COCCCC(=O)C)OC 34a_100011934954_100000685027 [0,2,0,0,0,0|1,0,1]=4 14778 B12R0.35 CCC(COCCCC(=O)C)OC 7a_100011934954_100011215641 [0,2,0,0,0,0|1,0,1]=4 14779 B12R0.35 CCC(COCCCC(C)C)OC 34a_100011934954_100011214892 [0,2,0,0,0,0|1,0,0]=3 14780 B12R0.35 CCC(COCCCC(C)C)OC 7a_100011934954_100011214892 [0,2,0,0,0,0|1,0,0]=3 14781 B12R0.35 CCC(COCCCC(C)O)OC 34a_100011934954_200000718107 [0,2,0,0,0,0|1,0,0]=3 14782 B12R0.35 CCC(COCCCC(C)O)OC 7a_100011934954_200000718107 [0,2,0,0,0,0|1,0,0]=3 14783 B12R0.35 CCC(COCCCN(C)C)OC 7a_100011934954_100000757444 [0,2,0,0,0,0|2,0,0]=4 14784 B12R0.35 CCC(COCCOC(C)C)OC 34a_100011934954_100000211751 [0,2,0,0,0,0|2,0,0]=4 14785 B12R0.35 CCC(COCCOC(C)C)OC 7a_100011934954_100000211751 [0,2,0,0,0,0|2,0,0]=4 14786 B12R0.35 CCC(COCCSC(C)C)OC 34a_100011934954_100000730970 [0,2,0,0,0,0|2,0,0]=4 14787 B12R0.35 CCC(COCCSC(C)C)OC 7a_100011934954_100000730970 [0,2,0,0,0,0|2,0,0]=4 14788 B12R0.35 CCN(CC)CCCCCC(C)C 2230a_100000724800_100000210682 [0,2,0,0,0,0|2,0,0]=4 14789 B12R0.35 CCN(CC)CCCCCC(C)C 269956a_100000042499_100000210682 [0,2,0,0,0,0|2,0,0]=4 14790 B12R0.35 CCN(CC)CCCCCC(C)C 269982a_100000724800_100000210682 [0,2,0,0,0,0|2,0,0]=4 14791 B12R0.35 CC[C@@H](CO)NCCCCC(C)C 2230a_100000709445_100011216152 [0,2,0,0,0,0|1,0,0]=3 14792 B12R0.35 COC(CCCNCC(C)C)OC 2230a_100000210953_100000069011 [0,2,0,0,0,0|2,0,0]=4 14793 B12R0.35 COC(CCCNCC(C)C)OC 270004a_100000034021_100000210432 [0,2,0,0,0,0|2,0,0]=4 14794 B12R0.35 COC(CCCNCC(C)C)OC 34a_100000210953_100000069011 [0,2,0,0,0,0|2,0,0]=4 14795 B12R0.35 COC(CCCNCC(C)O)OC 2230a_100000210904_100000069011 [0,2,0,0,0,0|2,0,0]=4 14796 B12R0.35 COC(CCCNCC(C)O)OC 34a_100000210904_100000069011 [0,2,0,0,0,0|2,0,0]=4 14797 B12R0.35 COC(CCCOCC(C)Br)OC 34a_100012180447_100000069011 [0,2,0,0,0,0|2,0,0]=4 14798 B12R0.35 COC(CCCOCC(C)C)OC 34a_100000210257_100000069011 [0,2,0,0,0,0|2,0,0]=4 14799 B12R0.35 COC(CCCOCC(C)F)OC 34a_100015925927_100000069011 [0,2,0,0,0,0|2,0,0]=4 14800 B12R0.35 COC(CCCOC[C@@H](C)Cl)OC 34a_100016084084_100000069011 [0,2,0,0,0,0|2,0,0]=4 14801 B12R0.35 COC(CCCOC[C@@H](C)N)OC 34a_100000737577_100000069011 [0,2,0,0,0,0|2,0,0]=4 14802 B12R0.35 COC(CCCSCC(C)C)OC 62a_100000069011_100000210760 [0,2,0,0,0,0|2,0,0]=4 14803 B12R0.35 COC(CCCSCC(C)C)OC 62a_100000210624_100000069011 [0,2,0,0,0,0|2,0,0]=4 14804 B12R0.35 COC(CCCSCC(C)O)OC 62a_100000069011_100011218427 [0,2,0,0,0,0|2,0,0]=4 14805 B12R0.35 COC(CCCSCC(C)O)OC 62a_100011218427_100000069011 [0,2,0,0,0,0|2,0,0]=4 14806 B12R0.35 COC(CCCSC[C@@H](C)O)OC 62a_100000069011_100009817552 [0,2,0,0,0,0|2,0,0]=4 14807 B12R0.35 COC(CCCSC[C@@H](C)O)OC 62a_100009817552_100000069011 [0,2,0,0,0,0|2,0,0]=4 14808 B12R0.35 COC(CCNCCC(C)O)OC 2230a_200000755665_100009813347 [0,2,0,0,0,0|2,0,0]=4 14809 B12R0.35 COC(CCOCCC(C)Br)OC 34a_100009893172_100000139399 [0,2,0,0,0,0|2,0,0]=4 14810 B12R0.35 COC(CCOCCC(C)C)OC 34a_100000210254_100000139399 [0,2,0,0,0,0|2,0,0]=4 14811 B12R0.35 COC(CCOCCC(C)C)OC 7a_100000210254_100009813347 [0,2,0,0,0,0|2,0,0]=4 14812 B12R0.35 COC(CCOCC[C@@H](C)N)OC 34a_100000706166_100000139399 [0,2,0,0,0,0|2,0,0]=4 14813 B12R0.35 COC(CCSCCC(C)C)OC 62a_100000139399_100000210312 [0,2,0,0,0,0|2,0,0]=4 14814 B12R0.35 COC(CCSCCC(C)C)OC 62a_100000210312_100000139399 [0,2,0,0,0,0|2,0,0]=4 14815 B12R0.35 COC(CCSCCC(C)O)OC 62a_100000139399_100012276601 [0,2,0,0,0,0|2,0,0]=4 14816 B12R0.35 COC(CCSCCC(C)O)OC 62a_100012276601_100000139399 [0,2,0,0,0,0|2,0,0]=4 14817 B12R0.35 COC(CNCCCC(C)C)OC 2230a_200000737386_100000751394 [0,2,0,0,0,0|2,0,0]=4 14818 B12R0.35 COC(CNCCCC(C)C)OC 270004a_200000737386_100000752162 [0,2,0,0,0,0|2,0,0]=4 14819 B12R0.35 COC(CNCCCC(C)C)OC 34a_200000737386_100000211822 [0,2,0,0,0,0|2,0,0]=4 14820 B12R0.35 COC(COCCCC(C)C)OC 34a_100000210774_100000211822 [0,2,0,0,0,0|2,0,0]=4 14821 B12R0.35 COC(COCCCC(C)C)OC 34a_100011216393_100011214892 [0,2,0,0,0,0|2,0,0]=4 14822 B12R0.35 COC(COCCCC(C)C)OC 7a_100000210774_100000751394 [0,2,0,0,0,0|2,0,0]=4 14823 B12R0.35 COC(COCCCC(C)O)OC 34a_100011216393_200000718107 [0,2,0,0,0,0|2,0,0]=4 14824 B12R0.35 COC(CSCCCC(C)C)OC 62a_100000751394_100011214892 [0,2,0,0,0,0|2,0,0]=4 14825 B12R0.35 COC(CSCCCC(C)C)OC 62a_100011214892_100000751394 [0,2,0,0,0,0|2,0,0]=4 14826 B12R0.35 COC(CSCCCC(C)O)OC 62a_100000751394_200000718107 [0,2,0,0,0,0|2,0,0]=4 14827 B12R0.35 COC(CSCCCC(C)O)OC 62a_200000718107_100000751394 [0,2,0,0,0,0|2,0,0]=4 14828 B12R0.86 CC(C)CCCCC(=O)C(O)CO 1458a_100011215603_100011216152 [0,2,0,0,0,0|1,0,1]=4 14829 B12R0.86 CCC(C)C(=O)CCCCC(C)C 1458a_100011192722_100011216152 [0,2,0,0,0,0|1,0,1]=4 14830 B12R0.86 CCC(C)C(=O)CCCCC(C)C 1458a_100011933920_100000758301 [0,2,0,0,0,0|1,0,1]=4 14831 B12R0.86 CCC(C)C(C)NCCCC(C)C 269862a_200000737386_100000210599 [0,2,0,0,0,0|2,0,0]=4 14832 B12R0.86 CCC(C)C(C)NCCCC(C)C 270004a_200000737386_100000210599 [0,2,0,0,0,0|2,0,0]=4 14833 B12R0.86 CCC(C)C(C)OCCCC(C)C 7a_100011215189_100011214892 [0,2,0,0,0,0|2,0,0]=4 14834 B12R0.86 CCC(C)C(C)OCCCC(C)O 7a_100011215189_200000718107 [0,2,0,0,0,0|2,0,0]=4 14835 B12R0.86 CCC(C)N(C)CCCCC(C)C 2230a_100000741768_100011216152 [0,2,0,0,0,0|2,0,0]=4 14836 B12R0.86 CCC(C)N(C)CCCCC(C)C 269982a_100000741768_100011216152 [0,2,0,0,0,0|2,0,0]=4 14837 B12R0.86 CCC(O)C(=O)CCCCC(=O)C 1458a_100011196387_100000735457 [0,2,0,0,0,0|0,0,2]=4 14838 B12R0.86 CCC(O)C(=O)CCCCC(C)C 1458a_100011196387_100011216152 [0,2,0,0,0,0|0,0,1]=3 14839 B12R0.86 CCC(O)C(=O)NCCCC(C)C 240690a_200000737386_100011196387 [0,2,0,0,0,0|1,0,1]=4 14840 B12R0.150 CC(C)(O)CCCNC[C@H](O)CO 2230a_100020644852_100009888830 [0,2,0,0,0,0|2,0,0]=4 14841 B12R0.150 CC(C)(O)CCCSCC(O)CO 62a_100009888830_100011219619 [0,2,0,0,0,0|2,0,0]=4 14842 B12R0.150 CC(C)(O)CCCSCC(O)CO 62a_100011219619_100009888830 [0,2,0,0,0,0|2,0,0]=4 14843 B12R0.150 CC(C)(O)CCCSC[C@@H](O)CF 62a_100009888830_100015614560 [0,2,0,0,0,0|2,0,0]=4 14844 B12R0.150 CC(C)(O)CCCSC[C@@H](O)CF 62a_100015614560_100009888830 [0,2,0,0,0,0|2,0,0]=4 14845 B12R0.150 CC(C)(O)CCCSC[C@@H](O)CO 62a_100009815848_100009888830 [0,2,0,0,0,0|2,0,0]=4 14846 B12R0.150 CC(C)(O)CCCSC[C@@H](O)CO 62a_100009888830_100009815848 [0,2,0,0,0,0|2,0,0]=4 14847 B12R0.150 CCC(=O)CCCCCC(C)(C)C 1458a_100012017116_100000210202 [0,2,0,0,0,0|0,0,2]=4 14848 B12R0.150 CCC(C)CCCOCC(C)(C)O 7a_100011216074_100000764493 [0,2,0,0,0,0|2,0,0]=4 14849 B12R0.150 CCC(C)CCNCCC(C)(C)C 2230a_100020591266_100000755188 [0,2,0,0,0,0|2,0,0]=4 14850 B12R0.150 CCC(C)CCNCCC(C)(C)O 2230a_100020591266_100000702414 [0,2,0,0,0,0|2,0,0]=4 14851 B12R0.150 CCC(C)CCOCCC(C)(C)C 7a_100011215188_100000755188 [0,2,0,0,0,0|2,0,0]=4 14852 B12R0.150 CCC(C)CCOCCC(C)(C)O 7a_100011215188_100000702414 [0,2,0,0,0,0|2,0,0]=4 14853 B12R0.150 CCC(C)CNCCCC(C)(C)O 2230a_100020588543_100009888830 [0,2,0,0,0,0|2,0,0]=4 14854 B12R0.150 CCC(C)CSCCCC(C)(C)O 62a_100000748023_100009888830 [0,2,0,0,0,0|2,0,0]=4 14855 B12R0.150 CCC(C)CSCCCC(C)(C)O 62a_100009888830_100000748023 [0,2,0,0,0,0|2,0,0]=4 14856 B12R0.150 CCC(O)CNCCCC(C)(C)O 2230a_100011218483_100009888830 [0,2,0,0,0,0|1,0,0]=3 14857 B12R0.150 CCC(O)CNCCCC(F)(F)F 2230a_100000727188_100011218378 [0,2,0,0,0,0|2,0,0]=4 14858 B12R0.150 CCC(O)CNCCCC(F)(F)F 2230a_100011218483_100011215983 [0,2,0,0,0,0|2,0,0]=4 14859 B12R0.150 CCC(O)CNCCCC(F)(F)F 34a_100000727188_100011218378 [0,2,0,0,0,0|2,0,0]=4 14860 B12R0.150 CCC(O)CNCCCS(=O)(=O)C 2230a_100000742409_100011218378 [0,2,0,0,0,0|2,0,0]=4 14861 B12R0.150 CCC(O)CNCCCS(=O)(=O)C 2230a_100011218483_100000754308 [0,2,0,0,0,0|2,0,0]=4 14862 B12R0.150 CCC(O)CNCCCS(=O)(=O)C 34a_100000742409_100011218378 [0,2,0,0,0,0|2,0,0]=4 14863 B12R0.150 CCC(O)CNCCC[N+](C)(C)C 2230a_100011218483_100016990835 [0,2,0,0,0,0|2,0,0]=4 14864 B12R0.150 CCC(O)CNCCC[Si](C)(C)C 2230a_100011218483_100011219597 [0,2,0,0,0,0|1,1,0]=4 14865 B12R0.150 CCC(O)CNCCOC(C)(C)C 2230a_100000747557_100011218378 [0,2,0,0,0,0|2,0,0]=4 14866 B12R0.150 CCC(O)CNCCSC(C)(C)C 2230a_100000689375_100011218378 [0,2,0,0,0,0|2,0,0]=4 14867 B12R0.150 CCC(O)COCCCC(F)(F)F 34a_100000749235_100011218378 [0,2,0,0,0,0|2,0,0]=4 14868 B12R0.150 CCC(O)COCCCS(=O)(=O)C 34a_100000689940_100011218378 [0,2,0,0,0,0|2,0,0]=4 14869 B12R0.150 CCC(O)COCCCS(=O)(=O)C 7a_100000689940_100011218378 [0,2,0,0,0,0|2,0,0]=4 14870 B12R0.150 CCC(O)COCCC[Si](C)(C)C 7a_200011215415_100011218378 [0,2,0,0,0,0|1,1,0]=4 14871 B12R0.150 CCC(O)COCCOC(C)(C)C 34a_100000693234_100011218378 [0,2,0,0,0,0|2,0,0]=4 14872 B12R0.150 CCC(O)COCCOC(C)(C)C 7a_100000693234_100011218378 [0,2,0,0,0,0|2,0,0]=4 14873 B12R0.150 CCC(O)CSCCCC(C)(C)O 62a_100009888830_100011218378 [0,2,0,0,0,0|1,0,0]=3 14874 B12R0.150 CCC(O)CSCCCC(C)(C)O 62a_100011218378_100009888830 [0,2,0,0,0,0|1,0,0]=3 14875 B12R0.150 CCC(O)CSCCCC(F)(F)F 62a_100011216173_100011218378 [0,2,0,0,0,0|2,0,0]=4 14876 B12R0.150 CCC(O)CSCCCC(F)(F)F 62a_100011218378_100011216173 [0,2,0,0,0,0|2,0,0]=4 14877 B12R0.150 CCC(O)CSCCCS(=O)(=O)C 62a_100000754308_100011218378 [0,2,0,0,0,0|2,0,0]=4 14878 B12R0.150 CCC(O)CSCCCS(=O)(=O)C 62a_100011218378_100000754308 [0,2,0,0,0,0|2,0,0]=4 14879 B12R0.150 CCC(O)CSCCC[N+](C)(C)C 62a_100011218378_100016990835 [0,2,0,0,0,0|2,0,0]=4 14880 B12R0.150 CCC(O)CSCCC[N+](C)(C)C 62a_100016990835_100011218378 [0,2,0,0,0,0|2,0,0]=4 14881 B12R0.150 CCC(O)CSCCC[Si](C)(C)C 62a_100011218378_100011219597 [0,2,0,0,0,0|1,1,0]=4 14882 B12R0.150 CCC(O)CSCCC[Si](C)(C)C 62a_100011219597_100011218378 [0,2,0,0,0,0|1,1,0]=4 14883 B12R0.150 CCN(C)CCCCCC(C)(C)O 2230a_100000225621_100010402123 [0,2,0,0,0,0|2,0,0]=4 14884 B12R0.150 CCN(C)CCCCCC(C)(C)O 269982a_100000225621_100010402123 [0,2,0,0,0,0|2,0,0]=4 14885 B12R0.150 CC[C@H](C)COCCCC(C)(C)O 7a_100009816381_100009888830 [0,2,0,0,0,0|2,0,0]=4 14886 B12R0.150 CC[C@H](C)CSCCCC(C)(C)O 62a_100009816398_100009888830 [0,2,0,0,0,0|2,0,0]=4 14887 B12R0.150 CC[C@H](C)CSCCCC(C)(C)O 62a_100009888830_100009816398 [0,2,0,0,0,0|2,0,0]=4 14888 B12R0.240 CC(C)CCCN(C)CC(O)CO 2230a_100011216503_100011214892 [0,2,0,0,0,0|2,0,0]=4 14889 B12R0.240 CC(C)CCCN(C)CC(O)CO 269982a_100011216503_100011214892 [0,2,0,0,0,0|2,0,0]=4 14890 B12R0.240 CC(O)CCCN(C)CC(O)CO 2230a_100011216503_200000718107 [0,2,0,0,0,0|2,0,0]=4 14891 B12R0.240 CC(O)CCCN(C)CC(O)CO 269982a_100011216503_200000718107 [0,2,0,0,0,0|2,0,0]=4 14892 B12R0.240 CCC(C)CC(=O)CCCC(C)C 1458a_100000708755_100011214892 [0,2,0,0,0,0|1,0,1]=4 14893 B12R0.240 CCC(C)CC(=O)CCCC(C)C 1458a_100011216857_100000748023 [0,2,0,0,0,0|1,0,1]=4 14894 B12R0.240 CCC(C)CC(=O)CCCC(C)O 1458a_100000708755_200000718107 [0,2,0,0,0,0|1,0,1]=4 14895 B12R0.240 CCC(C)CC(C)NCCC(C)C 2230a_100000763565_100000210312 [0,2,0,0,0,0|2,0,0]=4 14896 B12R0.240 CCC(C)CC(C)NCCC(C)C 269862a_100000763565_100000185833 [0,2,0,0,0,0|2,0,0]=4 14897 B12R0.240 CCC(C)CC(C)NCCC(C)C 270004a_100000210545_100011710205 [0,2,0,0,0,0|2,0,0]=4 14898 B12R0.240 CCC(C)CC(C)NCCC(C)O 2230a_100000763565_100012276601 [0,2,0,0,0,0|2,0,0]=4 14899 B12R0.240 CCC(C)CC(C)NCCC(C)O 270004a_200000755665_100011710205 [0,2,0,0,0,0|2,0,0]=4 14900 B12R0.240 CCC(C)CN(C)CCCC(C)C 2230a_100000753921_100011214892 [0,2,0,0,0,0|2,0,0]=4 14901 B12R0.240 CCC(C)CN(C)CCCC(C)C 269982a_100000753921_100011214892 [0,2,0,0,0,0|2,0,0]=4 14902 B12R0.240 CCC(C)CN(C)CCCC(C)O 2230a_100000753921_200000718107 [0,2,0,0,0,0|2,0,0]=4 14903 B12R0.240 CCC(C)CN(C)CCCC(C)O 269982a_100000753921_200000718107 [0,2,0,0,0,0|2,0,0]=4 14904 B12R0.240 CCC(C)NC(C)CCCC(C)C 2230a_100000210607_100000758301 [0,2,0,0,0,0|2,0,0]=4 14905 B12R0.240 CCC(C)NC(C)CCCC(C)C 270004a_100000209981_100000753411 [0,2,0,0,0,0|2,0,0]=4 14906 B12R0.240 CCC(C)OC(C)CCCC(C)C 34a_200011218570_100011215416 [0,2,0,0,0,0|2,0,0]=4 14907 B12R0.240 CCC(C)OC(C)CCCC(C)C 7a_200011218570_100000758301 [0,2,0,0,0,0|2,0,0]=4 14908 B12R0.240 CCC(O)CC(=O)CCCC(=O)C 1458a_100011667805_100011215641 [0,2,0,0,0,0|0,0,2]=4 14909 B12R0.240 CCC(O)CC(=O)CCCC(C)C 1458a_100011216857_100011218378 [0,2,0,0,0,0|0,0,1]=3 14910 B12R0.240 CCC(O)CC(=O)CCCC(C)C 1458a_100011667805_100011214892 [0,2,0,0,0,0|0,0,1]=3 14911 B12R0.240 CCC(O)CC(=O)CCCC(C)O 1458a_100011667805_200000718107 [0,2,0,0,0,0|0,0,1]=3 14912 B12R0.240 CCC(O)CC(=O)CCCN(C)C 1458a_100011667805_100000695564 [0,2,0,0,0,0|1,0,1]=4 14913 B12R0.240 CCC(O)CC(=O)CCOC(C)C 1458a_100011667805_100000211751 [0,2,0,0,0,0|1,0,1]=4 14914 B12R0.240 CCC(O)CC(=O)CCSC(C)C 1458a_100011667805_100000730970 [0,2,0,0,0,0|1,0,1]=4 14915 B12R0.240 CCC(O)CC(=O)COCC(C)C 1458a_100011223364_100011218378 [0,2,0,0,0,0|1,0,1]=4 14916 B12R0.240 CCC(O)CC(=O)NCCC(C)C 1626a_100000210545_100011667805 [0,2,0,0,0,0|1,0,1]=4 14917 B12R0.240 CCC(O)CC(=O)NCCC(C)C 240690a_100000210545_100011667805 [0,2,0,0,0,0|1,0,1]=4 14918 B12R0.240 CCC(O)CC(=O)NCCC(C)O 240690a_200000755665_100011667805 [0,2,0,0,0,0|1,0,1]=4 14919 B12R0.240 CCC(O)CN(C)CCCN(C)C 269982a_100000225831_100011218378 [0,2,0,0,0,0|2,0,0]=4 14920 B12R0.240 CC[C@H](C)CC(=O)CCCC(C)C 1458a_100011216857_100009816398 [0,2,0,0,0,0|1,0,1]=4 14921 B12R0.241 CC(C)C[C@H](N)COCC(O)CO 34a_100011830311_100011219619 [0,2,0,0,0,0|2,0,0]=4 14922 B12R0.241 CC(C)C[C@H](N)COC[C@@H](O)CF 34a_100011830311_100015614560 [0,2,0,0,0,0|2,0,0]=4 14923 B12R0.241 CC(C)C[C@H](N)COC[C@@H](O)CO 34a_100011830311_100009815848 [0,2,0,0,0,0|2,0,0]=4 14924 B12R0.241 CCC(C)CCNC(C)CC(C)C 2230a_100020591266_100000731052 [0,2,0,0,0,0|2,0,0]=4 14925 B12R0.241 CCC(C)CCOC(C)CC(C)C 7a_100011215188_100000731052 [0,2,0,0,0,0|2,0,0]=4 14926 B12R0.241 CCC(C)COC[C@@H](N)CC(C)C 34a_100011830311_100000748023 [0,2,0,0,0,0|2,0,0]=4 14927 B12R0.241 CCC(C)OCC[C@@H](N)CC(C)C 34a_100161151251_100011215416 [0,2,0,0,0,0|2,0,0]=4 14928 B12R0.241 CCC(O)CNCC(C)CN(C)C 2230a_100011218483_100015348159 [0,2,0,0,0,0|2,0,0]=4 14929 B12R0.241 CCC(O)COC[C@@H](N)CC(C)C 34a_100011830311_100011218378 [0,2,0,0,0,0|1,0,0]=3 14930 B12R0.241 CCC(O)CSCC(C)CN(C)C 62a_100011218378_100015348159 [0,2,0,0,0,0|2,0,0]=4 14931 B12R0.241 CCC(O)CSCC(C)CN(C)C 62a_100015348159_100011218378 [0,2,0,0,0,0|2,0,0]=4 14932 B12R0.241 CC[C@H](C)COC[C@@H](N)CC(C)C 34a_100011830311_100009816398 [0,2,0,0,0,0|2,0,0]=4 14933 B12R0.116 CCC(OC)C(=O)CCCCCF 1458a_100000747056_100000729378 [0,2,0,0,0,0|1,0,1]=4 14934 B12R0.116 CCC(OC)C(=O)CCCCCO 1458a_100000747056_100000746330 [0,2,0,0,0,0|1,0,1]=4 14935 B12R0.116 CCC(OC)C(=O)CCCCOC 1458a_100000747056_100000755781 [0,2,0,0,0,0|1,0,1]=4 14936 B12R0.116 CCCCCCC(=O)C(CC)CC 1458a_100000211163_100000210757 [0,2,0,0,0,0|1,0,1]=4 14937 B12R0.116 CCCCCCC(=O)C(CC)CC 1458a_100102632555_100000210505 [0,2,0,0,0,0|1,0,1]=4 14938 B12R0.116 CCCCCCC(=O)C(CC)OC 1458a_100000747056_100000210757 [0,2,0,0,0,0|0,0,1]=3 14939 B12R0.116 CCCCCCC(=O)C(OC)OC 1458a_100000046285_100000210757 [0,2,0,0,0,0|1,0,1]=4 14940 B12R0.116 CCCCCCC(C)N(CC)CC 2230a_100000724800_100011215978 [0,2,0,0,0,0|2,0,0]=4 14941 B12R0.116 CCCCCCC(C)N(CC)CC 269956a_100000042499_100011215978 [0,2,0,0,0,0|2,0,0]=4 14942 B12R0.116 CCCCCCC(C)N(CC)CC 269982a_100000724800_100011215978 [0,2,0,0,0,0|2,0,0]=4 14943 B12R0.116 CCCCCCC(C)N(CC)CC 270004a_100000724800_100000210826 [0,2,0,0,0,0|2,0,0]=4 14944 B12R0.116 CCCCCCN(C)C(CC)CC 2230a_100000737045_100000210314 [0,2,0,0,0,0|2,0,0]=4 14945 B12R0.116 CCCCCCN(C)C(CC)CC 269982a_100000737045_100000210757 [0,2,0,0,0,0|2,0,0]=4 14946 B12R0.116 CCCCCCN(C)C(CC)CC 269982a_106256046315_100000210505 [0,2,0,0,0,0|2,0,0]=4 14947 B12R0.116 CCCCCCN(C)C(CC)CC 270004a_106256046315_100000210860 [0,2,0,0,0,0|2,0,0]=4 14948 B12R0.116 CCCCCNC(=O)C(CC)OC 11a_100000209983_100000747056 [0,2,0,0,0,0|1,0,1]=4 14949 B12R0.116 CCCCCNC(=O)C(CC)OC 1626a_100000209983_100000747056 [0,2,0,0,0,0|1,0,1]=4 14950 B12R0.116 CCCCCNC(=O)C(CC)OC 240690a_100000209983_100000747056 [0,2,0,0,0,0|1,0,1]=4 14951 B12R0.116 CCCCCNC(=O)C(CC)OC 527a_100000209983_100000747056 [0,2,0,0,0,0|1,0,1]=4 14952 B12R0.116 CCCCCNC(C)C(CC)CC 269862a_100000209983_100011393642 [0,2,0,0,0,0|2,0,0]=4 14953 B12R0.116 CCCCCNC(C)C(CC)CC 270004a_100000209983_100011393642 [0,2,0,0,0,0|2,0,0]=4 14954 B12R0.116 CCCCCNC(C)C(OC)OC 270004a_100000209983_100000211384 [0,2,0,0,0,0|2,0,0]=4 14955 B12R0.116 CCCCCOC(C)C(OC)OC 34a_100000210253_100011222894 [0,2,0,0,0,0|2,0,0]=4 14956 B12R0.116 CCCCCOC(C)C(OC)OC 34a_100000754440_100000718602 [0,2,0,0,0,0|2,0,0]=4 14957 B12R0.116 CCCCCOC(C)C(OC)OC 7a_100000754440_100000210326 [0,2,0,0,0,0|2,0,0]=4 14958 B12R0.116 CCCCCSC(C)C(OC)OC 62a_100000210326_100011222894 [0,2,0,0,0,0|2,0,0]=4 14959 B12R0.116 CCCCCSC(C)C(OC)OC 62a_100011222894_100000210326 [0,2,0,0,0,0|2,0,0]=4 14960 B12R0.116 CCCCOCC(=O)C(CC)OC 1458a_100000747056_100011995733 [0,2,0,0,0,0|1,0,1]=4 14961 B12R0.116 CCCOCCC(=O)C(CC)OC 1458a_100000747056_100011215938 [0,2,0,0,0,0|1,0,1]=4 14962 B12R0.116 CCOCCCC(=O)C(CC)OC 1458a_100000747056_100012232248 [0,2,0,0,0,0|1,0,1]=4 14963 B12R0.144 C#CC(CC)OC(C)CCCCC 34a_100000758843_200011218191 [0,2,0,0,0,0|2,0,0]=4 14964 B12R0.144 C#CC(CC)OC(C)CCCCC 7a_100000758843_200011218191 [0,2,0,0,0,0|2,0,0]=4 14965 B12R0.144 C=CC(CC)OC(C)CCCCC 34a_100000766422_200011218191 [0,2,0,0,0,0|2,0,0]=4 14966 B12R0.144 C=CC(CC)OC(C)CCCCC 7a_100000766422_200011218191 [0,2,0,0,0,0|2,0,0]=4 14967 B12R0.144 CCCCCC(=O)CC(CC)CC 1458a_100000212188_100011215472 [0,2,0,0,0,0|1,0,1]=4 14968 B12R0.144 CCCCCC(=O)CC(OC)OC 1458a_100000082724_100000210326 [0,2,0,0,0,0|1,0,1]=4 14969 B12R0.144 CCCCCC(=O)CC(OC)OC 1458a_100000212188_100000751394 [0,2,0,0,0,0|1,0,1]=4 14970 B12R0.144 CCCCCC(=O)N[C@@H](CC)CO 240690a_100000709445_100000212188 [0,2,0,0,0,0|1,0,1]=4 14971 B12R0.144 CCCCCC(=O)N[C@@H](CC)CO 527a_100000709445_100000212188 [0,2,0,0,0,0|1,0,1]=4 14972 B12R0.144 CCCCCC(C)NC(CC)CC 2230a_100000199018_200011218191 [0,2,0,0,0,0|2,0,0]=4 14973 B12R0.144 CCCCCC(C)NC(CC)CC 270004a_100000199018_100000211708 [0,2,0,0,0,0|2,0,0]=4 14974 B12R0.144 CCCCCC(C)NC(CC)CC 270004a_100000211957_100000210860 [0,2,0,0,0,0|2,0,0]=4 14975 B12R0.144 CCCCCC(C)NC(CO)CO 2230a_100000759517_200011218191 [0,2,0,0,0,0|2,0,0]=4 14976 B12R0.144 CCCCCC(C)N[C@@H](CC)CO 2230a_100000709445_200011218191 [0,2,0,0,0,0|1,0,0]=3 14977 B12R0.144 CCCCCC(C)N[C@@H](CC)CO 270004a_100000709445_100000211708 [0,2,0,0,0,0|1,0,0]=3 14978 B12R0.144 CCCCCC(C)OC(CC)CC 7a_100000688536_200011218191 [0,2,0,0,0,0|2,0,0]=4 14979 B12R0.144 CCCCCC(C)OC(CC)CC 7a_100011215632_100000210505 [0,2,0,0,0,0|2,0,0]=4 14980 B12R0.144 CCCCCC(C)SC(CC)CC 62a_100000210505_200011218191 [0,2,0,0,0,0|2,0,0]=4 14981 B12R0.144 CCCCCC(C)SC(CC)CC 62a_200011218191_100000210505 [0,2,0,0,0,0|2,0,0]=4 14982 B12R0.144 CCCCCN(C)CC(CC)CC 2230a_100000223495_100011215472 [0,2,0,0,0,0|2,0,0]=4 14983 B12R0.144 CCCCCN(C)CC(CC)CC 269982a_100000223495_100011215472 [0,2,0,0,0,0|2,0,0]=4 14984 B12R0.144 CCCCCN(C)CC(CC)CC 270004a_100000223495_100000211137 [0,2,0,0,0,0|2,0,0]=4 14985 B12R0.144 CCCCCN(C)CC(OC)OC 2230a_100000223495_100000751394 [0,2,0,0,0,0|2,0,0]=4 14986 B12R0.144 CCCCCN(C)CC(OC)OC 269982a_100000225562_100000210215 [0,2,0,0,0,0|2,0,0]=4 14987 B12R0.144 CCCCCN(C)CC(OC)OC 270004a_100000223495_100000752162 [0,2,0,0,0,0|2,0,0]=4 14988 B12R0.144 CCCCNC(C)CC(OC)OC 270004a_100000102301_100000210484 [0,2,0,0,0,0|2,0,0]=4 14989 B12R0.144 CCCCOC(C)CC(OC)OC 7a_100011018202_100000210211 [0,2,0,0,0,0|2,0,0]=4 14990 B12R0.144 CCCSCC(C)N[C@@H](CC)CO 270004a_100000709445_100011343953 [0,2,0,0,0,0|2,0,0]=4 14991 B12R0.144 CCOCCC(C)N[C@@H](CC)CO 270004a_100000709445_200011216536 [0,2,0,0,0,0|2,0,0]=4 14992 B12R0.144 CC[C@@H](CO)NC(C)CCCSC 270004a_100000709445_100011399439 [0,2,0,0,0,0|2,0,0]=4 14993 B12R0.265 CCC(COCC(O)COC)OC 34a_100011934954_100011215053 [0,2,0,0,0,0|2,0,0]=4 14994 B12R0.265 CCC(COCC(O)COC)OC 7a_100011934954_100011215053 [0,2,0,0,0,0|2,0,0]=4 14995 B12R0.265 CCCC(=O)CCCC(OC)OC 1458a_100000211992_100000069011 [0,2,0,0,0,0|1,0,1]=4 14996 B12R0.265 CCCC(=O)COCC(CC)OC 7a_100011934954_100000747444 [0,2,0,0,0,0|1,0,1]=4 14997 B12R0.265 CCCC(C)CCOC(CC)CC 7a_100011217855_100000210505 [0,2,0,0,0,0|2,0,0]=4 14998 B12R0.265 CCCC(C)CNCC(CC)CC 2230a_100102946423_100011216630 [0,2,0,0,0,0|2,0,0]=4 14999 B12R0.265 CCCC(C)CNCC(CC)CC 270004a_100102946423_100000243154 [0,2,0,0,0,0|2,0,0]=4 15000 B12R0.265 CCCC(C)CNCC(CC)OC 270004a_100000731041_100000243154 [0,2,0,0,0,0|1,0,0]=3 15001 B12R0.265 CCCC(C)CNCC(OC)OC 270004a_100000210479_100000243154 [0,2,0,0,0,0|2,0,0]=4 15002 B12R0.265 CCCC(C)COCC(CC)CC 34a_100000688023_100011215472 [0,2,0,0,0,0|2,0,0]=4 15003 B12R0.265 CCCC(C)COCC(CC)CC 7a_100000688023_100011215472 [0,2,0,0,0,0|2,0,0]=4 15004 B12R0.265 CCCC(C)COCC(CC)CC 7a_100000703878_100011216630 [0,2,0,0,0,0|2,0,0]=4 15005 B12R0.265 CCCC(C)COCC(CC)OC 34a_100011934954_100011216630 [0,2,0,0,0,0|1,0,0]=3 15006 B12R0.265 CCCC(C)COCC(CC)OC 7a_100011934954_100011216630 [0,2,0,0,0,0|1,0,0]=3 15007 B12R0.265 CCCC(C)COCC(OC)OC 34a_100000688023_100000211822 [0,2,0,0,0,0|2,0,0]=4 15008 B12R0.265 CCCC(C)COCC(OC)OC 34a_100011216393_100011216630 [0,2,0,0,0,0|2,0,0]=4 15009 B12R0.265 CCCC(C)COCC(OC)OC 7a_100000688023_100000751394 [0,2,0,0,0,0|2,0,0]=4 15010 B12R0.265 CCCC(C)CSCC(CC)CC 62a_100011215472_100011216630 [0,2,0,0,0,0|2,0,0]=4 15011 B12R0.265 CCCC(C)CSCC(CC)CC 62a_100011216630_100011215472 [0,2,0,0,0,0|2,0,0]=4 15012 B12R0.265 CCCC(C)CSCC(OC)OC 62a_100000751394_100011216630 [0,2,0,0,0,0|2,0,0]=4 15013 B12R0.265 CCCC(C)CSCC(OC)OC 62a_100011216630_100000751394 [0,2,0,0,0,0|2,0,0]=4 15014 B12R0.265 CCCC(C)NCCC(OC)OC 2230a_100000741246_100009813347 [0,2,0,0,0,0|2,0,0]=4 15015 B12R0.265 CCCC(C)OCCC(OC)OC 34a_100000764384_100000139399 [0,2,0,0,0,0|2,0,0]=4 15016 B12R0.265 CCCC(C)OCCC(OC)OC 7a_100000764384_100009813347 [0,2,0,0,0,0|2,0,0]=4 15017 B12R0.265 CCCC(C)SCCC(OC)OC 62a_100000139399_100000766640 [0,2,0,0,0,0|2,0,0]=4 15018 B12R0.265 CCCC(C)SCCC(OC)OC 62a_100000766640_100000139399 [0,2,0,0,0,0|2,0,0]=4 15019 B12R0.265 CCCN(C)CCCC(OC)OC 2230a_100000747261_100000069011 [0,2,0,0,0,0|2,0,0]=4 15020 B12R0.265 CCCN(C)CCCC(OC)OC 269982a_100000747261_100000069011 [0,2,0,0,0,0|2,0,0]=4 15021 B12R0.265 CCC[C@H](N)COCC(CC)CC 34a_100000732646_100011215472 [0,2,0,0,0,0|2,0,0]=4 15022 B12R0.265 CCC[C@H](N)COCC(OC)OC 34a_100000732646_100000211822 [0,2,0,0,0,0|2,0,0]=4 15023 B12R0.79 CCCC(C)COC(C)C(C)CC 7a_100011215189_100011216630 [0,2,0,0,0,0|2,0,0]=4 15024 B12R0.110 CCCCCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210326 [0,2,0,0,0,0|1,0,1]=4 15025 B12R0.110 CCCCCC(C)C(=O)C(C)CC 1458a_100011192722_200011218191 [0,2,0,0,0,0|1,0,1]=4 15026 B12R0.110 CCCCCC(C)C(=O)C(C)CC 1458a_100011215998_100000758301 [0,2,0,0,0,0|1,0,1]=4 15027 B12R0.110 CCCCCC(C)C(=O)C(O)CC 1458a_100011196387_200011218191 [0,2,0,0,0,0|0,0,1]=3 15028 B12R0.110 CCCCCC(C)C(=O)C(O)CO 1458a_100011215603_200011218191 [0,2,0,0,0,0|1,0,1]=4 15029 B12R0.110 CCCCCC(C)N(C)C(C)CC 2230a_100000741768_200011218191 [0,2,0,0,0,0|2,0,0]=4 15030 B12R0.110 CCCCCC(C)N(C)C(C)CC 269982a_100000741768_200011218191 [0,2,0,0,0,0|2,0,0]=4 15031 B12R0.110 CCCCCC(C)N(C)C(C)CC 270004a_100000741768_100000211708 [0,2,0,0,0,0|2,0,0]=4 15032 B12R0.110 CCCCCN(C)C(=O)C(O)CC 240690a_100000223495_100011196387 [0,2,0,0,0,0|1,0,1]=4 15033 B12R0.110 CCCCCN(C)C(C)C(C)CC 270004a_100000223495_100000210599 [0,2,0,0,0,0|2,0,0]=4 15034 B12R0.110 CCCCOC(C)C(C)C(C)CC 7a_200011290770_100000210211 [0,2,0,0,0,0|2,0,0]=4 15035 B12R0.200 CCCCCCC(OC)C(C)CC 34a_200011290773_200000210301 [0,2,0,0,0,0|1,0,0]=3 15036 B12R0.200 CCCCCCC(OC)C(C)CC 7a_200011290773_200000210301 [0,2,0,0,0,0|1,0,0]=3 15037 B12R0.200 CCCCCCC(O[13CH3])C(C)CC 34a_200011290773_200025704644 [0,2,0,0,0,0|1,0,0]=3 15038 B12R0.200 CCCCCCC(O[13CH3])C(C)CC 7a_200011290773_200025704644 [0,2,0,0,0,0|1,0,0]=3 15039 B12R0.200 CCCCCCN(CC)C(C)CC 2230a_100000732650_100000210314 [0,2,0,0,0,0|2,0,0]=4 15040 B12R0.200 CCCCCCN(CC)C(C)CC 269982a_100000732650_100000210757 [0,2,0,0,0,0|2,0,0]=4 15041 B12R0.200 CCCCCN[C@H](CO)[C@@H](C)CC 2230a_100011827617_100000210326 [0,2,0,0,0,0|2,0,0]=4 15042 B12R0.600 CCCCCCC(C)(C)C(=O)CC 1458a_100011290782_100000210202 [0,2,0,0,0,0|0,0,2]=4 15043 B12R0.68 C=C(CCC)CC(=O)CC(O)CC 1458a_100000138376_100011218378 [0,2,0,0,0,0|0,0,2]=4 15044 B12R0.68 CCC(O)CN(C)CC(O)COC 2230a_100000739405_100011218378 [0,2,0,0,0,0|2,0,0]=4 15045 B12R0.68 CCC(O)CN(C)CC(O)COC 269982a_100000739405_100011218378 [0,2,0,0,0,0|2,0,0]=4 15046 B12R0.68 CCCC(=O)CC(=O)CC(O)CC 1458a_100011667805_100000747444 [0,2,0,0,0,0|0,0,2]=4 15047 B12R0.68 CCCC(C)CC(=O)CC(C)CC 1458a_100000708755_100011216630 [0,2,0,0,0,0|1,0,1]=4 15048 B12R0.68 CCCC(C)CC(=O)CC(C)CC 1458a_100000748435_100000748023 [0,2,0,0,0,0|1,0,1]=4 15049 B12R0.68 CCCC(C)CC(=O)CC(O)CC 1458a_100000748435_100011218378 [0,2,0,0,0,0|0,0,1]=3 15050 B12R0.68 CCCC(C)CC(=O)CC(O)CC 1458a_100011667805_100011216630 [0,2,0,0,0,0|0,0,1]=3 15051 B12R0.68 CCCC(C)CC(=O)C[C@@H](C)CC 1458a_100000748435_100009816398 [0,2,0,0,0,0|1,0,1]=4 15052 B12R0.68 CCCC(C)CN(C)CC(C)CC 2230a_100000753921_100011216630 [0,2,0,0,0,0|2,0,0]=4 15053 B12R0.68 CCCC(C)CN(C)CC(C)CC 269982a_100000753921_100011216630 [0,2,0,0,0,0|2,0,0]=4 15054 B12R0.68 CCCC(C)CN(C)CC(C)CC 270004a_100000753921_100000243154 [0,2,0,0,0,0|2,0,0]=4 15055 B12R0.68 CCCC(C)CN(C)CC(O)CO 2230a_100011216503_100011216630 [0,2,0,0,0,0|2,0,0]=4 15056 B12R0.68 CCCC(C)CN(C)CC(O)CO 269982a_100011216503_100011216630 [0,2,0,0,0,0|2,0,0]=4 15057 B12R0.68 CCCC(C)CN(C)CC(O)CO 270004a_100011216503_100000243154 [0,2,0,0,0,0|2,0,0]=4 15058 B12R0.68 CCCC(C)NC(=O)CC(O)CC 1626a_100000741246_100011667805 [0,2,0,0,0,0|1,0,1]=4 15059 B12R0.68 CCCC(C)NC(=O)CC(O)CC 240690a_100000741246_100011667805 [0,2,0,0,0,0|1,0,1]=4 15060 B12R0.68 CCCC(C)NC(C)CC(C)CC 2230a_100000763565_100000766640 [0,2,0,0,0,0|2,0,0]=4 15061 B12R0.68 CCCC(C)NC(C)CC(C)CC 270004a_100000741246_100011710205 [0,2,0,0,0,0|2,0,0]=4 15062 B12R0.68 CCCC(C)NC(C)CC(C)CC 270004a_100000763565_100000211909 [0,2,0,0,0,0|2,0,0]=4 15063 B12R0.68 CCCS(=O)CC(=O)CC(O)CC 1458a_100011387404_100011218378 [0,2,0,0,0,0|1,0,1]=4 15064 B12R0.68 CCSC(C)CC(=O)CC(O)CC 1458a_200011311441_100011218378 [0,2,0,0,0,0|1,0,1]=4 15065 B12R0.126 C#CC(CCCCC)OC(C)CC 34a_100011216489_100011215416 [0,2,0,0,0,0|2,0,0]=4 15066 B12R0.126 C#CC(CCCCC)OC(C)CC 7a_100011216489_100000758301 [0,2,0,0,0,0|2,0,0]=4 15067 B12R0.126 C=CC(CCCCC)OC(C)CC 34a_100011216863_100011215416 [0,2,0,0,0,0|2,0,0]=4 15068 B12R0.126 C=CC(CCCCC)OC(C)CC 7a_100011216863_100000758301 [0,2,0,0,0,0|2,0,0]=4 15069 B12R0.126 CCC(O)CN(CC)CCCCF 2230a_100011365200_100000729493 [0,2,0,0,0,0|2,0,0]=4 15070 B12R0.126 CCC(O)CN(CC)CCCCF 269982a_100011365200_100000729493 [0,2,0,0,0,0|2,0,0]=4 15071 B12R0.126 CCC(O)CN(CC)CCCCO 2230a_100011217355_100011218378 [0,2,0,0,0,0|2,0,0]=4 15072 B12R0.126 CCC(O)CN(CC)CCCCO 2230a_100011365200_100000210776 [0,2,0,0,0,0|2,0,0]=4 15073 B12R0.126 CCC(O)CN(CC)CCCCO 269982a_100011217355_100011218378 [0,2,0,0,0,0|2,0,0]=4 15074 B12R0.126 CCC(O)CN(CC)CCCCO 269982a_100011365200_100000210776 [0,2,0,0,0,0|2,0,0]=4 15075 B12R0.126 CCC(O)CN(CC)CCCOC 2230a_100011365200_100000740836 [0,2,0,0,0,0|2,0,0]=4 15076 B12R0.126 CCC(O)CN(CC)CCCOC 269982a_100011365200_100000740836 [0,2,0,0,0,0|2,0,0]=4 15077 B12R0.126 CCCCCC(CC)NC(C)CC 270004a_100000209981_100011215316 [0,2,0,0,0,0|2,0,0]=4 15078 B12R0.126 CCCCCC(CC)OC(C)CC 34a_100011215405_100011215416 [0,2,0,0,0,0|2,0,0]=4 15079 B12R0.126 CCCCCC(CC)OC(C)CC 7a_100011215405_100000758301 [0,2,0,0,0,0|2,0,0]=4 15080 B12R0.126 CCCCCN(CC)CC(O)CC 2230a_100011365200_100000210326 [0,2,0,0,0,0|1,0,0]=3 15081 B12R0.126 CCCCCN(CC)CC(O)CC 269982a_100011365200_100000210215 [0,2,0,0,0,0|1,0,0]=3 15082 B12R0.126 CCCCNC(CC)CC(C)CC 270004a_100000102301_100000184709 [0,2,0,0,0,0|2,0,0]=4 15083 B12R0.126 CCCCOC(CC)CC(C)CC 7a_200011216566_100000210211 [0,2,0,0,0,0|2,0,0]=4 15084 B12R0.126 CCOCCN(CC)CC(O)CC 2230a_100011365200_100011215890 [0,2,0,0,0,0|2,0,0]=4 15085 B12R0.126 CCOCCN(CC)CC(O)CC 269982a_100011365200_100011215890 [0,2,0,0,0,0|2,0,0]=4 15086 B12R0.126 CCSCCN(CC)CC(O)CC 2230a_100011365200_100000757381 [0,2,0,0,0,0|2,0,0]=4 15087 B12R0.126 CCSCCN(CC)CC(O)CC 269982a_100011365200_100000757381 [0,2,0,0,0,0|2,0,0]=4 15088 B12R0.176 CCC(O)CNCC(C)(C)COC 2230a_100000734190_100011218378 [0,2,0,0,0,0|2,0,0]=4 15089 B12R0.176 CCCC(C)(C)COCC(C)CC 7a_100011995695_100000748023 [0,2,0,0,0,0|2,0,0]=4 15090 B12R0.176 CCCC(C)(C)COCC(O)CC 7a_100011995695_100011218378 [0,2,0,0,0,0|1,0,0]=3 15091 B12R0.176 CCCC(C)(C)COCC(O)CO 7a_100011995695_100011219619 [0,2,0,0,0,0|2,0,0]=4 15092 B12R0.176 CCCC(C)(C)COC[C@@H](C)CC 7a_100011995695_100009816398 [0,2,0,0,0,0|2,0,0]=4 15093 B12R0.176 CCCC(C)(C)COC[C@@H](O)CF 7a_100011995695_100015614560 [0,2,0,0,0,0|2,0,0]=4 15094 B12R0.176 CCCC(C)(C)COC[C@@H](O)CO 7a_100011995695_100009815848 [0,2,0,0,0,0|2,0,0]=4 15095 B12R0.176 CCNC(C)(C)COCC(O)CC 7a_100000747347_100011218378 [0,2,0,0,0,0|2,0,0]=4 15096 B12R0.229 CCCC(CC)NCCC(C)CC 270004a_100020591266_100000687865 [0,2,0,0,0,0|2,0,0]=4 15097 B12R0.229 CCCC(CC)OCCC(C)CC 7a_100011215188_100011219200 [0,2,0,0,0,0|2,0,0]=4 15098 B12R0.229 CCCC(CCOC(C)CC)SC 34a_100000032865_100011215416 [0,2,0,0,0,0|2,0,0]=4 15099 B12R0.229 CCCC(CCOC(C)CC)SC 7a_100000032865_100000758301 [0,2,0,0,0,0|2,0,0]=4 15100 B12R0.229 CCOC(CC)CNCC(O)CC 2230a_100015183923_100011218378 [0,2,0,0,0,0|2,0,0]=4 15101 B12R0.229 CCOC(CC)CNCC(O)CC 34a_100015183923_100011218378 [0,2,0,0,0,0|2,0,0]=4 15102 B10R1.10 CCCN1CCCC(C1)F 2230a_100000697950_100000210303 [1,0,0,1,0,0|2,0,0]=4 15103 B10R1.10 CCCN1CCCC(C1)F 269982a_100000697950_100000210303 [1,0,0,1,0,0|2,0,0]=4 15104 B10R1.10 CCCN1CCCC(C1)F 34a_100000697950_100000210303 [1,0,0,1,0,0|2,0,0]=4 15105 B10R1.10 CCCN1CCCC(C1)O 2230a_100000211013_100000210303 [1,0,0,1,0,0|1,0,0]=3 15106 B10R1.10 CCCN1CCCC(C1)O 269982a_100000211013_100000210303 [1,0,0,1,0,0|1,0,0]=3 15107 B10R1.10 CCCN1CCC[C@@H](C1)C 2230a_100000717927_100000210303 [1,0,0,1,0,0|2,0,0]=4 15108 B10R1.10 CCCN1CCC[C@@H](C1)C 269982a_100000717927_100000210303 [1,0,0,1,0,0|2,0,0]=4 15109 B10R1.10 CCCN1CCC[C@@H](C1)C 34a_100000717927_100000210303 [1,0,0,1,0,0|2,0,0]=4 15110 B10R1.10 CCCN1CCOC(C1)O 2230a_100000688207_100000210303 [1,0,0,1,0,0|2,0,0]=4 15111 B10R1.10 CCCN1CCOC(C1)O 269982a_100000688207_100000210303 [1,0,0,1,0,0|2,0,0]=4 15112 B10R1.10 CCNC1CCCC(C1)C 2230a_100011194320_100000210202 [1,0,0,1,0,0|2,0,0]=4 15113 B10R1.10 CCNC1CCCC(C1)C 270004a_100015525214_100000183594 [1,0,0,1,0,0|2,0,0]=4 15114 B10R1.10 CCNC1CCCC(C1)C 34a_100011194320_100000210202 [1,0,0,1,0,0|2,0,0]=4 15115 B10R1.10 CCNC1CCCC(C1)O 2230a_100015190357_100000210202 [1,0,0,1,0,0|1,0,0]=3 15116 B10R1.10 CCNC1CCCC(C1)O 270004a_100015525214_100012613340 [1,0,0,1,0,0|1,0,0]=3 15117 B10R1.10 CCOC1CCCC(C1)C 34a_100000211399_100000210202 [1,0,0,1,0,0|2,0,0]=4 15118 B10R1.10 CNCC1CCCC(C1)O 2230a_100011254705_200000210301 [1,0,0,1,0,0|1,0,0]=3 15119 B10R1.10 COCN1CCCC(C1)O 2230a_100000211013_100000766300 [1,0,0,1,0,0|2,0,0]=4 15120 B10R1.10 COCN1CCCC(C1)O 269982a_100000211013_100000766300 [1,0,0,1,0,0|2,0,0]=4 15121 B10R1.10 CSCN1CCCC(C1)O 2230a_100000211013_100011218213 [1,0,0,1,0,0|2,0,0]=4 15122 B10R1.10 CSCN1CCCC(C1)O 269982a_100000211013_100011218213 [1,0,0,1,0,0|2,0,0]=4 15123 B10R1.10 OC1CCCN(C1)CCF 2230a_100000211013_100011217306 [1,0,0,1,0,0|2,0,0]=4 15124 B10R1.10 OC1CCCN(C1)CCF 269982a_100000211013_100011217306 [1,0,0,1,0,0|2,0,0]=4 15125 B10R1.10 OCCN1CCCC(C1)O 2230a_100000211013_100000211926 [1,0,0,1,0,0|2,0,0]=4 15126 B10R1.10 OCCN1CCCC(C1)O 269982a_100000211013_100000211926 [1,0,0,1,0,0|2,0,0]=4 15127 B10R1.10 [13CH3]NCC1CCCC(C1)O 2230a_100011254705_200025704644 [1,0,0,1,0,0|1,0,0]=3 15128 B10R1.16 CCCCN1CCC(C1)O 2230a_100011215560_100000210211 [1,0,0,1,0,0|1,0,0]=3 15129 B10R1.16 CCCCN1CCC(C1)O 269982a_100011215560_100000210211 [1,0,0,1,0,0|1,0,0]=3 15130 B10R1.16 CCCCN1CC[C@@H](C1)F 2230a_100015203821_100000210211 [1,0,0,1,0,0|2,0,0]=4 15131 B10R1.16 CCCCN1CC[C@@H](C1)F 269982a_100015203821_100000210211 [1,0,0,1,0,0|2,0,0]=4 15132 B10R1.16 CCCCN1CC[C@@H](C1)F 34a_100015203821_100000210210 [1,0,0,1,0,0|2,0,0]=4 15133 B10R1.16 CCCCN1CC[C@H](C1)C 2230a_100016987628_100000210211 [1,0,0,1,0,0|2,0,0]=4 15134 B10R1.16 CCCCN1CC[C@H](C1)C 269982a_100016987628_100000210211 [1,0,0,1,0,0|2,0,0]=4 15135 B10R1.16 CCCCN1CC[C@H](C1)C 34a_100016987628_100000210210 [1,0,0,1,0,0|2,0,0]=4 15136 B10R1.16 CCCNC1CCC(C1)C 270004a_100020643023_100011215218 [1,0,0,1,0,0|2,0,0]=4 15137 B10R1.16 CCCNC1CCC(C1)O 270004a_100020643023_100012614533 [1,0,0,1,0,0|1,0,0]=3 15138 B10R1.16 CCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210303 [1,0,0,1,0,0|1,0,0]=3 15139 B10R1.16 CCCOC1CCC(C1)C 34a_100000698185_100000210303 [1,0,0,1,0,0|2,0,0]=4 15140 B10R1.16 CCOCN1CCC(C1)O 269982a_100011215560_100000739092 [1,0,0,1,0,0|2,0,0]=4 15141 B10R1.16 COCCN1CCC(C1)O 2230a_100011215560_100011201679 [1,0,0,1,0,0|2,0,0]=4 15142 B10R1.16 COCCN1CCC(C1)O 269982a_100011215560_100000233755 [1,0,0,1,0,0|2,0,0]=4 15143 B10R1.16 COCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000766300 [1,0,0,1,0,0|2,0,0]=4 15144 B10R1.16 CSCCN1CCC(C1)O 2230a_100011215560_100000751147 [1,0,0,1,0,0|2,0,0]=4 15145 B10R1.16 CSCCN1CCC(C1)O 269982a_100011215560_100000212216 [1,0,0,1,0,0|2,0,0]=4 15146 B10R1.16 CSCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100011218213 [1,0,0,1,0,0|2,0,0]=4 15147 B10R1.16 OC1CCN(C1)CCCF 2230a_100011215560_100011934791 [1,0,0,1,0,0|2,0,0]=4 15148 B10R1.16 OC1CCN(C1)CCCF 269982a_100011215560_100011934791 [1,0,0,1,0,0|2,0,0]=4 15149 B10R1.16 OCCCN1CCC(C1)O 2230a_100011215560_100000230001 [1,0,0,1,0,0|2,0,0]=4 15150 B10R1.16 OCCCN1CCC(C1)O 269982a_100011215560_100011215043 [1,0,0,1,0,0|2,0,0]=4 15151 B10R1.16 OCCNC1CCC(C1)O 270004a_100000210304_100012614533 [1,0,0,1,0,0|2,0,0]=4 15152 B10R1.16 OCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000211926 [1,0,0,1,0,0|2,0,0]=4 15153 B10R1.16 O[C@@H]1CC[C@@H](C1)NCCF 2230a_100015195300_100011217306 [1,0,0,1,0,0|2,0,0]=4 15154 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [1,0,0,1,0,0|0,0,2]=4 15155 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [1,0,0,1,0,0|0,0,2]=4 15156 B10R1.18 CC(C)NC1CCCCC1 2230a_100000182618_100000210206 [1,0,0,1,0,0|2,0,0]=4 15157 B10R1.18 CC(C)NC1CCCCC1 34a_100000182618_100000210206 [1,0,0,1,0,0|2,0,0]=4 15158 B10R1.18 CC(C)NC1CCCCC1 34a_100138425928_100000210327 [1,0,0,1,0,0|2,0,0]=4 15159 B10R1.18 CC(C)OC1CCCCC1 34a_100000210231_100000210206 [1,0,0,1,0,0|2,0,0]=4 15160 B10R1.18 CC(C)OC1CCCCC1 34a_100000212225_100000210327 [1,0,0,1,0,0|2,0,0]=4 15161 B10R1.18 CC(C)OC1CCCCC1 7a_100000210231_100000210206 [1,0,0,1,0,0|2,0,0]=4 15162 B10R1.18 CC(C)SC1CCCCC1 62a_100000210206_100000210327 [1,0,0,1,0,0|2,0,0]=4 15163 B10R1.18 CC(C)SC1CCCCC1 62a_100000210327_100000210206 [1,0,0,1,0,0|2,0,0]=4 15164 B10R1.18 CC(O)CN1CCCOC1 2230a_100000131196_100011218427 [1,0,0,1,0,0|2,0,0]=4 15165 B10R1.18 CC(O)CN1CCCOC1 269982a_100000131196_100011218427 [1,0,0,1,0,0|2,0,0]=4 15166 B10R1.18 CC(O)CN1CCCOC1 34a_100000131196_100011218427 [1,0,0,1,0,0|2,0,0]=4 15167 B10R1.18 CC(O)CN1CCOCC1 2230a_100015191051_100011218427 [1,0,0,1,0,0|2,0,0]=4 15168 B10R1.18 CC(O)CN1CCOCC1 269982a_100015191051_100011218427 [1,0,0,1,0,0|2,0,0]=4 15169 B10R1.18 CC(O)CN1CCOCC1 34a_100015191051_100011218427 [1,0,0,1,0,0|2,0,0]=4 15170 B10R1.18 CC(O)CN1CCSCC1 2230a_100000737611_100011218427 [1,0,0,1,0,0|2,0,0]=4 15171 B10R1.18 CC(O)CN1CCSCC1 269982a_100000737611_100011218427 [1,0,0,1,0,0|2,0,0]=4 15172 B10R1.18 CN(C)CC1CCCCC1 2230a_100000736448_200000210301 [1,0,0,1,0,0|2,0,0]=4 15173 B10R1.18 CN(C)CC1CCCCC1 2230a_100102631434_100000211423 [1,0,0,1,0,0|2,0,0]=4 15174 B10R1.18 CN(C)CC1CCCCC1 269982a_100000736448_200000210301 [1,0,0,1,0,0|2,0,0]=4 15175 B10R1.18 CN(C)CC1CCCCC1 269982a_100102631434_100000211423 [1,0,0,1,0,0|2,0,0]=4 15176 B10R1.18 CN(C)CC1CCCCC1 34a_100000736448_200000210301 [1,0,0,1,0,0|2,0,0]=4 15177 B10R1.18 CN([13CH3])CC1CCCCC1 2230a_100000736448_200025704644 [1,0,0,1,0,0|2,0,0]=4 15178 B10R1.18 CN([13CH3])CC1CCCCC1 269982a_100000736448_200025704644 [1,0,0,1,0,0|2,0,0]=4 15179 B10R1.18 CN([13CH3])CC1CCCCC1 34a_100000736448_200025704644 [1,0,0,1,0,0|2,0,0]=4 15180 B10R1.18 C[C@@H](O)CN1CCCOC1 2230a_100000131196_100009817552 [1,0,0,1,0,0|2,0,0]=4 15181 B10R1.18 C[C@@H](O)CN1CCCOC1 269982a_100000131196_100009817552 [1,0,0,1,0,0|2,0,0]=4 15182 B10R1.18 C[C@@H](O)CN1CCCOC1 34a_100000131196_100009817552 [1,0,0,1,0,0|2,0,0]=4 15183 B10R1.18 C[C@@H](O)CN1CCOCC1 2230a_100015191051_100009817552 [1,0,0,1,0,0|2,0,0]=4 15184 B10R1.18 C[C@@H](O)CN1CCOCC1 269982a_100015191051_100009817552 [1,0,0,1,0,0|2,0,0]=4 15185 B10R1.18 C[C@@H](O)CN1CCOCC1 34a_100015191051_100009817552 [1,0,0,1,0,0|2,0,0]=4 15186 B10R1.18 C[C@@H](O)CN1CCSCC1 2230a_100000737611_100009817552 [1,0,0,1,0,0|2,0,0]=4 15187 B10R1.18 C[C@@H](O)CN1CCSCC1 269982a_100000737611_100009817552 [1,0,0,1,0,0|2,0,0]=4 15188 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [1,0,0,1,0,0|0,0,2]=4 15189 B10R1.24 CCCCCN1CC(C1)C 2230a_100000702820_100000210326 [1,0,0,1,0,0|2,0,0]=4 15190 B10R1.24 CCCCCN1CC(C1)C 269982a_100000702820_100000210215 [1,0,0,1,0,0|2,0,0]=4 15191 B10R1.24 CCCCCN1CC(C1)C 34a_100000702820_100000718602 [1,0,0,1,0,0|2,0,0]=4 15192 B10R1.24 CCCCCN1CC(C1)F 2230a_100000690557_100000210326 [1,0,0,1,0,0|2,0,0]=4 15193 B10R1.24 CCCCCN1CC(C1)F 269982a_100000690557_100000210215 [1,0,0,1,0,0|2,0,0]=4 15194 B10R1.24 CCCCCN1CC(C1)F 34a_100000690557_100000718602 [1,0,0,1,0,0|2,0,0]=4 15195 B10R1.24 CCCCCN1CC(C1)O 269982a_100000749847_100000210215 [1,0,0,1,0,0|1,0,0]=3 15196 B10R1.24 CCCCNC1CC(C1)F 2230a_100016993743_100000210211 [1,0,0,1,0,0|2,0,0]=4 15197 B10R1.24 CCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210211 [1,0,0,1,0,0|1,0,0]=3 15198 B10R1.24 CCCNCC1CC(C1)O 2230a_100016992100_100000210303 [1,0,0,1,0,0|1,0,0]=3 15199 B10R1.24 CCCOCC1CC(C1)Cl 34a_100009874164_100000210303 [1,0,0,1,0,0|2,0,0]=4 15200 B10R1.24 CCOCCN1CC(C1)O 269982a_100000749847_100011215890 [1,0,0,1,0,0|2,0,0]=4 15201 B10R1.24 CCSCCN1CC(C1)O 269982a_100000749847_100000757381 [1,0,0,1,0,0|2,0,0]=4 15202 B10R1.24 COCCCN1CC(C1)O 269982a_100000749847_100000740836 [1,0,0,1,0,0|2,0,0]=4 15203 B10R1.24 COCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100011201679 [1,0,0,1,0,0|2,0,0]=4 15204 B10R1.24 COCNCC1CC(C1)O 2230a_100016992100_100000766300 [1,0,0,1,0,0|2,0,0]=4 15205 B10R1.24 CSCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000751147 [1,0,0,1,0,0|2,0,0]=4 15206 B10R1.24 CSCNCC1CC(C1)O 2230a_100016992100_100011218213 [1,0,0,1,0,0|2,0,0]=4 15207 B10R1.24 OC1CC(C1)CNCCF 2230a_100016992100_100011217306 [1,0,0,1,0,0|2,0,0]=4 15208 B10R1.24 OC1CN(C1)CCCCF 269982a_100000749847_100000729493 [1,0,0,1,0,0|2,0,0]=4 15209 B10R1.24 OCCCCN1CC(C1)O 269982a_100000749847_100000210776 [1,0,0,1,0,0|2,0,0]=4 15210 B10R1.24 OCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000230001 [1,0,0,1,0,0|2,0,0]=4 15211 B10R1.24 OCCNCC1CC(C1)O 2230a_100016992100_100000211926 [1,0,0,1,0,0|2,0,0]=4 15212 B10R1.24 O[C@H]1C[C@@H](C1)NCCCF 2230a_100020629032_100011934791 [1,0,0,1,0,0|2,0,0]=4 15213 B10R1.38 CNC1CCCCC1(C)C 269862a_106832991636_100000031690 [1,0,0,1,0,0|2,0,0]=4 15214 B10R1.39 CCC1CCCC1N(C)C 270004a_100102631434_100000749056 [1,0,0,1,0,0|2,0,0]=4 15215 B10R1.39 CCC1CCCN1C(C)C 2230a_100000754278_100000210206 [1,0,0,1,0,0|2,0,0]=4 15216 B10R1.39 CCC1CCCN1C(C)C 269982a_100000754278_100000210206 [1,0,0,1,0,0|2,0,0]=4 15217 B10R1.39 CCC1CCCN1C(C)C 34a_100000754278_100000210206 [1,0,0,1,0,0|2,0,0]=4 15218 B10R1.39 CCN1CCCC1C(C)C 2230a_100000762757_100000210202 [1,0,0,1,0,0|2,0,0]=4 15219 B10R1.39 CCN1CCCC1C(C)C 269982a_100000762757_100000204670 [1,0,0,1,0,0|2,0,0]=4 15220 B10R1.39 CCN1CCCC1C(C)C 34a_100000762757_100000210202 [1,0,0,1,0,0|2,0,0]=4 15221 B10R1.56 CCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210326 [1,0,0,1,0,0|2,0,0]=4 15222 B10R1.56 CCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210326 [1,0,0,1,0,0|2,0,0]=4 15223 B10R1.56 CCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000718602 [1,0,0,1,0,0|2,0,0]=4 15224 B10R1.56 CCCCOCC1CC1C 34a_100000744939_100000210210 [1,0,0,1,0,0|2,0,0]=4 15225 B10R1.56 CCCCOCC1CC1C 7a_100000744939_100000210211 [1,0,0,1,0,0|2,0,0]=4 15226 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [1,0,0,1,0,0|0,0,2]=4 15227 B10R1.61 CC(C)C1CCCCN1C 2230a_100000757267_200000210301 [1,0,0,1,0,0|2,0,0]=4 15228 B10R1.61 CC(C)C1CCCCN1C 269982a_100000757267_200000210301 [1,0,0,1,0,0|2,0,0]=4 15229 B10R1.61 CC(C)C1CCCCN1C 34a_100000757267_200000210301 [1,0,0,1,0,0|2,0,0]=4 15230 B10R1.61 CC(C)C1CCCCN1[13CH3] 2230a_100000757267_200025704644 [1,0,0,1,0,0|2,0,0]=4 15231 B10R1.61 CC(C)C1CCCCN1[13CH3] 269982a_100000757267_200025704644 [1,0,0,1,0,0|2,0,0]=4 15232 B10R1.61 CC(C)C1CCCCN1[13CH3] 34a_100000757267_200025704644 [1,0,0,1,0,0|2,0,0]=4 15233 B10R1.61 CC(C)N1CCCCC1C 2230a_100000211376_100000210206 [1,0,0,1,0,0|2,0,0]=4 15234 B10R1.61 CC(C)N1CCCCC1C 269982a_100000211376_100000210206 [1,0,0,1,0,0|2,0,0]=4 15235 B10R1.61 CC(C)N1CCCCC1C 34a_100000211376_100000210206 [1,0,0,1,0,0|2,0,0]=4 15236 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [1,0,0,1,0,0|0,0,2]=4 15237 B10R1.61 CC1CCCCC1N(C)C 270004a_100102631434_100000210921 [1,0,0,1,0,0|2,0,0]=4 15238 B10R1.64 CC(C)CC1CCCN1C 2230a_100000748429_200000210301 [1,0,0,1,0,0|2,0,0]=4 15239 B10R1.64 CC(C)CC1CCCN1C 269982a_100000748429_200000210301 [1,0,0,1,0,0|2,0,0]=4 15240 B10R1.64 CC(C)CC1CCCN1C 34a_100000748429_200000210301 [1,0,0,1,0,0|2,0,0]=4 15241 B10R1.64 CC(C)CC1CCCN1[13CH3] 2230a_100000748429_200025704644 [1,0,0,1,0,0|2,0,0]=4 15242 B10R1.64 CC(C)CC1CCCN1[13CH3] 269982a_100000748429_200025704644 [1,0,0,1,0,0|2,0,0]=4 15243 B10R1.64 CC(C)CC1CCCN1[13CH3] 34a_100000748429_200025704644 [1,0,0,1,0,0|2,0,0]=4 15244 B10R1.64 CC(C)CN1CCC[C@@H]1C 2230a_100020605311_100000210760 [1,0,0,1,0,0|2,0,0]=4 15245 B10R1.64 CC(C)CN1CCC[C@@H]1C 269982a_100020605311_100000210624 [1,0,0,1,0,0|2,0,0]=4 15246 B10R1.64 CC(C)CN1CCC[C@@H]1C 270004a_100020605311_100000210432 [1,0,0,1,0,0|2,0,0]=4 15247 B10R1.64 CC(C)CN1CCC[C@H]1C 2230a_100015189458_100000210760 [1,0,0,1,0,0|2,0,0]=4 15248 B10R1.64 CC(C)CN1CCC[C@H]1C 269982a_100015189458_100000210624 [1,0,0,1,0,0|2,0,0]=4 15249 B10R1.64 CC(C)CN1CCC[C@H]1C 270004a_100015189458_100000210432 [1,0,0,1,0,0|2,0,0]=4 15250 B10R1.64 CC(C)CN1CCC[C@H]1C 34a_100015189458_100000210624 [1,0,0,1,0,0|2,0,0]=4 15251 B10R1.64 CC(C)OC1CCCC1C 34a_100011216460_100000210206 [1,0,0,1,0,0|2,0,0]=4 15252 B10R1.64 CC(C)OC1CCCC1C 7a_100011216460_100000210206 [1,0,0,1,0,0|2,0,0]=4 15253 B10R1.64 CC(O)CN1CCC[C@@H]1C 2230a_100020605311_100011218427 [1,0,0,1,0,0|1,0,0]=3 15254 B10R1.64 CC(O)CN1CCC[C@@H]1C 269982a_100020605311_100011218427 [1,0,0,1,0,0|1,0,0]=3 15255 B10R1.64 CC(O)CN1CCC[C@H]1C 2230a_100015189458_100011218427 [1,0,0,1,0,0|1,0,0]=3 15256 B10R1.64 CC(O)CN1CCC[C@H]1C 269982a_100015189458_100011218427 [1,0,0,1,0,0|1,0,0]=3 15257 B10R1.64 CC(O)CN1CCC[C@H]1C 34a_100015189458_100011218427 [1,0,0,1,0,0|1,0,0]=3 15258 B10R1.64 CC(O)CN1CCSC1C 2230a_200011216479_100011218427 [1,0,0,1,0,0|2,0,0]=4 15259 B10R1.64 CC(O)CN1CCSC1C 269982a_200011216479_100011218427 [1,0,0,1,0,0|2,0,0]=4 15260 B10R1.64 CC(O)CN1CCSC1C 34a_200011216479_100011218427 [1,0,0,1,0,0|2,0,0]=4 15261 B10R1.64 CC1SCCN1C[C@@H](C)O 2230a_200011216479_100009817552 [1,0,0,1,0,0|2,0,0]=4 15262 B10R1.64 CC1SCCN1C[C@@H](C)O 269982a_200011216479_100009817552 [1,0,0,1,0,0|2,0,0]=4 15263 B10R1.64 CC1SCCN1C[C@@H](C)O 34a_200011216479_100009817552 [1,0,0,1,0,0|2,0,0]=4 15264 B10R1.64 C[C@@H](O)CN1CCC[C@@H]1C 2230a_100020605311_100009817552 [1,0,0,1,0,0|1,0,0]=3 15265 B10R1.64 C[C@@H](O)CN1CCC[C@@H]1C 269982a_100020605311_100009817552 [1,0,0,1,0,0|1,0,0]=3 15266 B10R1.64 C[C@@H]1CCCN1C[C@@H](C)O 2230a_100015189458_100009817552 [1,0,0,1,0,0|1,0,0]=3 15267 B10R1.64 C[C@@H]1CCCN1C[C@@H](C)O 269982a_100015189458_100009817552 [1,0,0,1,0,0|1,0,0]=3 15268 B10R1.64 C[C@@H]1CCCN1C[C@@H](C)O 34a_100015189458_100009817552 [1,0,0,1,0,0|1,0,0]=3 15269 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000070787_100000760354 [1,0,0,1,0,0|0,0,2]=4 15270 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000211120_200000210301 [1,0,0,1,0,0|0,0,2]=4 15271 B10R1.66 CC(Br)COC1CCCC1 34a_100012180447_100000179811 [1,0,0,1,0,0|2,0,0]=4 15272 B10R1.66 CC(C)CCN1CCCC1 2230a_100000188435_100000210312 [1,0,0,1,0,0|2,0,0]=4 15273 B10R1.66 CC(C)CCN1CCCC1 269982a_100000188435_100000210312 [1,0,0,1,0,0|2,0,0]=4 15274 B10R1.66 CC(C)CNC1CCCC1 2230a_100000210953_100000179811 [1,0,0,1,0,0|2,0,0]=4 15275 B10R1.66 CC(C)CNC1CCCC1 2230a_100000211070_100000210760 [1,0,0,1,0,0|2,0,0]=4 15276 B10R1.66 CC(C)CNC1CCCC1 270004a_100000210953_100000210133 [1,0,0,1,0,0|2,0,0]=4 15277 B10R1.66 CC(C)CNC1CCCC1 270004a_100000211070_100000210432 [1,0,0,1,0,0|2,0,0]=4 15278 B10R1.66 CC(C)CNC1CCCC1 34a_100000210953_100000179811 [1,0,0,1,0,0|2,0,0]=4 15279 B10R1.66 CC(C)CNC1CCCC1 34a_100000211070_100000210624 [1,0,0,1,0,0|2,0,0]=4 15280 B10R1.66 CC(C)COC1CCCC1 34a_100000210257_100000179811 [1,0,0,1,0,0|2,0,0]=4 15281 B10R1.66 CC(C)COC1CCCC1 34a_100000210269_100000210624 [1,0,0,1,0,0|2,0,0]=4 15282 B10R1.66 CC(C)COC1CCCC1 7a_100000210269_100000210760 [1,0,0,1,0,0|2,0,0]=4 15283 B10R1.66 CC(C)CSC1CCCC1 62a_100000210624_100000179811 [1,0,0,1,0,0|2,0,0]=4 15284 B10R1.66 CC(C)CSC1CCCC1 62a_100011217020_100000210760 [1,0,0,1,0,0|2,0,0]=4 15285 B10R1.66 CC(C)NCC1CCCC1 2230a_100000737975_100000210206 [1,0,0,1,0,0|2,0,0]=4 15286 B10R1.66 CC(C)NCC1CCCC1 2230a_100138425928_100000740388 [1,0,0,1,0,0|2,0,0]=4 15287 B10R1.66 CC(C)NCC1CCCC1 34a_100000737975_100000210206 [1,0,0,1,0,0|2,0,0]=4 15288 B10R1.66 CC(C)NCC1CCCC1 34a_100138425928_100000740388 [1,0,0,1,0,0|2,0,0]=4 15289 B10R1.66 CC(C)OCC1CCCC1 34a_100000212225_100000740388 [1,0,0,1,0,0|2,0,0]=4 15290 B10R1.66 CC(C)OCC1CCCC1 34a_100000742336_100000210206 [1,0,0,1,0,0|2,0,0]=4 15291 B10R1.66 CC(C)OCC1CCCC1 7a_100000742336_100000210206 [1,0,0,1,0,0|2,0,0]=4 15292 B10R1.66 CC(C)SCC1CCCC1 62a_100000210206_100000740388 [1,0,0,1,0,0|2,0,0]=4 15293 B10R1.66 CC(C)SCC1CCCC1 62a_100000740388_100000210206 [1,0,0,1,0,0|2,0,0]=4 15294 B10R1.66 CC(F)COC1CCCC1 34a_100015925927_100000179811 [1,0,0,1,0,0|2,0,0]=4 15295 B10R1.66 CC(O)CCN1CCCC1 2230a_100000188435_100012276601 [1,0,0,1,0,0|1,0,0]=3 15296 B10R1.66 CC(O)CCN1CCCC1 269982a_100000188435_100012276601 [1,0,0,1,0,0|1,0,0]=3 15297 B10R1.66 CC(O)CCN1CCSC1 2230a_100011215254_100012276601 [1,0,0,1,0,0|2,0,0]=4 15298 B10R1.66 CC(O)CCN1CCSC1 269982a_100011215254_100012276601 [1,0,0,1,0,0|2,0,0]=4 15299 B10R1.66 CC(O)CNC1CCCC1 2230a_100000210904_100000179811 [1,0,0,1,0,0|1,0,0]=3 15300 B10R1.66 CC(O)CNC1CCCC1 2230a_100000211070_100011218427 [1,0,0,1,0,0|1,0,0]=3 15301 B10R1.66 CC(O)CNC1CCCC1 270004a_100000210904_100000210133 [1,0,0,1,0,0|1,0,0]=3 15302 B10R1.66 CC(O)CNC1CCCC1 34a_100000210904_100000179811 [1,0,0,1,0,0|1,0,0]=3 15303 B10R1.66 CC(O)CNC1CCCC1 34a_100000211070_100011218427 [1,0,0,1,0,0|1,0,0]=3 15304 B10R1.66 CC(O)CNC1CCOC1 2230a_100000210904_100000731011 [1,0,0,1,0,0|2,0,0]=4 15305 B10R1.66 CC(O)CNC1CCOC1 270004a_100000210904_100000752484 [1,0,0,1,0,0|2,0,0]=4 15306 B10R1.66 CC(O)CNC1CCOC1 34a_100000210904_100000690089 [1,0,0,1,0,0|2,0,0]=4 15307 B10R1.66 CC(O)CNC1CCSC1 270004a_100000210904_100000212027 [1,0,0,1,0,0|2,0,0]=4 15308 B10R1.66 CC(O)CN[C@@H]1CCOC1 2230a_200015188469_100011218427 [1,0,0,1,0,0|2,0,0]=4 15309 B10R1.66 CC(O)CN[C@H]1CCOC1 2230a_100015188467_100011218427 [1,0,0,1,0,0|2,0,0]=4 15310 B10R1.66 CC(O)CN[C@H]1CCOC1 34a_100015188467_100011218427 [1,0,0,1,0,0|2,0,0]=4 15311 B10R1.66 CC(O)COC1CCCC1 34a_100000210269_100011218427 [1,0,0,1,0,0|1,0,0]=3 15312 B10R1.66 CC(O)COC1CCCC1 7a_100000210269_100011218427 [1,0,0,1,0,0|1,0,0]=3 15313 B10R1.66 CC(O)COC1CCCO1 34a_100000085407_100011218427 [1,0,0,1,0,0|2,0,0]=4 15314 B10R1.66 CC(O)COC1CCSC1 7a_100011232664_100011218427 [1,0,0,1,0,0|2,0,0]=4 15315 B10R1.66 CC(O)CO[C@H]1CCOC1 34a_100000717292_100011218427 [1,0,0,1,0,0|2,0,0]=4 15316 B10R1.66 CC(O)CSC1CCCC1 62a_100011217020_100011218427 [1,0,0,1,0,0|1,0,0]=3 15317 B10R1.66 CC(O)CSC1CCCC1 62a_100011218427_100000179811 [1,0,0,1,0,0|1,0,0]=3 15318 B10R1.66 CC(O)CSC1CCOC1 62a_100011218427_100000690089 [1,0,0,1,0,0|2,0,0]=4 15319 B10R1.66 CN(C)CCC1CCCC1 2230a_100102631434_100000760354 [1,0,0,1,0,0|2,0,0]=4 15320 B10R1.66 CN(C)CCC1CCCC1 269982a_100102631434_100000760354 [1,0,0,1,0,0|2,0,0]=4 15321 B10R1.66 C[C@@H](Cl)COC1CCCC1 34a_100016084084_100000179811 [1,0,0,1,0,0|2,0,0]=4 15322 B10R1.66 C[C@@H](N)COC1CCCC1 34a_100000737577_100000179811 [1,0,0,1,0,0|2,0,0]=4 15323 B10R1.66 C[C@@H](O)CNC1CCCC1 2230a_100000211070_100009817552 [1,0,0,1,0,0|1,0,0]=3 15324 B10R1.66 C[C@@H](O)CNC1CCCC1 34a_100000211070_100009817552 [1,0,0,1,0,0|1,0,0]=3 15325 B10R1.66 C[C@@H](O)CN[C@@H]1CCOC1 2230a_200015188469_100009817552 [1,0,0,1,0,0|2,0,0]=4 15326 B10R1.66 C[C@@H](O)CN[C@H]1CCOC1 2230a_100015188467_100009817552 [1,0,0,1,0,0|2,0,0]=4 15327 B10R1.66 C[C@@H](O)CN[C@H]1CCOC1 34a_100015188467_100009817552 [1,0,0,1,0,0|2,0,0]=4 15328 B10R1.66 C[C@@H](O)COC1CCCC1 34a_100000210269_100009817552 [1,0,0,1,0,0|1,0,0]=3 15329 B10R1.66 C[C@@H](O)COC1CCCC1 7a_100000210269_100009817552 [1,0,0,1,0,0|1,0,0]=3 15330 B10R1.66 C[C@@H](O)COC1CCCO1 34a_100000085407_100009817552 [1,0,0,1,0,0|2,0,0]=4 15331 B10R1.66 C[C@@H](O)COC1CCSC1 7a_100011232664_100009817552 [1,0,0,1,0,0|2,0,0]=4 15332 B10R1.66 C[C@@H](O)CO[C@H]1CCOC1 34a_100000717292_100009817552 [1,0,0,1,0,0|2,0,0]=4 15333 B10R1.66 C[C@@H](O)CSC1CCCC1 62a_100009817552_100000179811 [1,0,0,1,0,0|1,0,0]=3 15334 B10R1.66 C[C@@H](O)CSC1CCCC1 62a_100011217020_100009817552 [1,0,0,1,0,0|1,0,0]=3 15335 B10R1.66 C[C@@H](O)CSC1CCOC1 62a_100009817552_100000690089 [1,0,0,1,0,0|2,0,0]=4 15336 B10R1.66 [13CH3]C(=O)CCC1CCCC1 1458a_100000211120_200025704644 [1,0,0,1,0,0|0,0,2]=4 15337 B10R1.73 CC(C)COCC1CC1C 34a_100000744939_100000210624 [1,0,0,1,0,0|2,0,0]=4 15338 B10R1.73 CC(C)COCC1CC1C 7a_100000744939_100000210760 [1,0,0,1,0,0|2,0,0]=4 15339 B10R1.73 CC(O)CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100012276601 [1,0,0,1,0,0|2,0,0]=4 15340 B10R1.73 CC(O)CCN[C@@H]1C[C@H]1F 2230a_100025746932_100012276601 [1,0,0,1,0,0|2,0,0]=4 15341 B10R1.73 CC(O)CCN[C@@H]1C[C@H]1F 34a_100025746932_100012276601 [1,0,0,1,0,0|2,0,0]=4 15342 B10R1.73 CC(O)COCC1CC1C 34a_100000744939_100011218427 [1,0,0,1,0,0|1,0,0]=3 15343 B10R1.73 CC(O)COCC1CC1C 7a_100000744939_100011218427 [1,0,0,1,0,0|1,0,0]=3 15344 B10R1.73 CC1CC1COC[C@@H](C)O 34a_100000744939_100009817552 [1,0,0,1,0,0|1,0,0]=3 15345 B10R1.73 CC1CC1COC[C@@H](C)O 7a_100000744939_100009817552 [1,0,0,1,0,0|1,0,0]=3 15346 B10R1.78 CN1CCCCCCCC1 2230a_100000039187_200000210301 [1,0,0,1,0,0|2,0,0]=4 15347 B10R1.78 CN1CCCCCCCC1 269982a_100000039187_200000210301 [1,0,0,1,0,0|2,0,0]=4 15348 B10R1.78 CN1CCCCCCCC1 34a_100000039187_200000210301 [1,0,0,1,0,0|2,0,0]=4 15349 B10R1.78 [13CH3]N1CCCCCCCC1 2230a_100000039187_200025704644 [1,0,0,1,0,0|2,0,0]=4 15350 B10R1.78 [13CH3]N1CCCCCCCC1 269982a_100000039187_200025704644 [1,0,0,1,0,0|2,0,0]=4 15351 B10R1.78 [13CH3]N1CCCCCCCC1 34a_100000039187_200025704644 [1,0,0,1,0,0|2,0,0]=4 15352 B10R1.117 CC(C)CCN1CCC1C 269982a_100000755817_100000210312 [1,0,0,1,0,0|2,0,0]=4 15353 B10R1.117 CC(C)CCN1CCC1C 34a_100000755817_100000210312 [1,0,0,1,0,0|2,0,0]=4 15354 B10R1.117 CC(O)CCN1CCC1C 269982a_100000755817_100012276601 [1,0,0,1,0,0|1,0,0]=3 15355 B10R1.117 CC(O)CCN1CCC1C 34a_100000755817_100012276601 [1,0,0,1,0,0|1,0,0]=3 15356 B10R1.126 CC(Br)CCOCC1CC1 34a_100009893172_100000742324 [1,0,0,1,0,0|2,0,0]=4 15357 B10R1.126 CC(Br)COCCC1CC1 34a_100012180447_100000694398 [1,0,0,1,0,0|2,0,0]=4 15358 B10R1.126 CC(C)CCCNC1CC1 34a_100000212008_100011214892 [1,0,0,1,0,0|2,0,0]=4 15359 B10R1.126 CC(C)CCCNC1CC1 34a_200000737386_100000211595 [1,0,0,1,0,0|2,0,0]=4 15360 B10R1.126 CC(C)CCCOC1CC1 34a_100000210774_100000211595 [1,0,0,1,0,0|2,0,0]=4 15361 B10R1.126 CC(C)CCCSC1CC1 62a_100011214892_100000211595 [1,0,0,1,0,0|2,0,0]=4 15362 B10R1.126 CC(C)CCNCC1CC1 2230a_100000735609_100000210312 [1,0,0,1,0,0|2,0,0]=4 15363 B10R1.126 CC(C)CCNCC1CC1 269862a_100000210545_100000741477 [1,0,0,1,0,0|2,0,0]=4 15364 B10R1.126 CC(C)CCNCC1CC1 34a_100000735609_100000210312 [1,0,0,1,0,0|2,0,0]=4 15365 B10R1.126 CC(C)CCOCC1CC1 34a_100000210254_100000742324 [1,0,0,1,0,0|2,0,0]=4 15366 B10R1.126 CC(C)CCOCC1CC1 34a_100000211283_100000210312 [1,0,0,1,0,0|2,0,0]=4 15367 B10R1.126 CC(C)CCOCC1CC1 7a_100000210254_100000742324 [1,0,0,1,0,0|2,0,0]=4 15368 B10R1.126 CC(C)CCSCC1CC1 62a_100000210312_100000742324 [1,0,0,1,0,0|2,0,0]=4 15369 B10R1.126 CC(C)CCSCC1CC1 62a_100000756562_100000210312 [1,0,0,1,0,0|2,0,0]=4 15370 B10R1.126 CC(C)CNCCC1CC1 2230a_100000210953_100000694398 [1,0,0,1,0,0|2,0,0]=4 15371 B10R1.126 CC(C)CNCCC1CC1 270004a_100000764129_100000210432 [1,0,0,1,0,0|2,0,0]=4 15372 B10R1.126 CC(C)CNCCC1CC1 34a_100000210953_100000694398 [1,0,0,1,0,0|2,0,0]=4 15373 B10R1.126 CC(C)CNCCC1CC1 34a_100000764129_100000210624 [1,0,0,1,0,0|2,0,0]=4 15374 B10R1.126 CC(C)COCCC1CC1 34a_100000210257_100000694398 [1,0,0,1,0,0|2,0,0]=4 15375 B10R1.126 CC(C)COCCC1CC1 34a_100000754188_100000210624 [1,0,0,1,0,0|2,0,0]=4 15376 B10R1.126 CC(C)COCCC1CC1 7a_100000754188_100000210760 [1,0,0,1,0,0|2,0,0]=4 15377 B10R1.126 CC(C)CSCCC1CC1 62a_100000210624_100000764125 [1,0,0,1,0,0|2,0,0]=4 15378 B10R1.126 CC(C)CSCCC1CC1 62a_100000764125_100000210760 [1,0,0,1,0,0|2,0,0]=4 15379 B10R1.126 CC(F)COCCC1CC1 34a_100015925927_100000694398 [1,0,0,1,0,0|2,0,0]=4 15380 B10R1.126 CC(O)CCCNC1CC1 34a_100000212008_200000718107 [1,0,0,1,0,0|1,0,0]=3 15381 B10R1.126 CC(O)CCCSC1CC1 62a_200000718107_100000211595 [1,0,0,1,0,0|1,0,0]=3 15382 B10R1.126 CC(O)CCNCC1CC1 2230a_100000735609_100012276601 [1,0,0,1,0,0|1,0,0]=3 15383 B10R1.126 CC(O)CCNCC1CC1 2230a_200000755665_100000742324 [1,0,0,1,0,0|1,0,0]=3 15384 B10R1.126 CC(O)CCNCC1CC1 269862a_200000755665_100000741477 [1,0,0,1,0,0|1,0,0]=3 15385 B10R1.126 CC(O)CCNCC1CC1 34a_100000735609_100012276601 [1,0,0,1,0,0|1,0,0]=3 15386 B10R1.126 CC(O)CCNCC1CO1 2230a_200000755665_100011216344 [1,0,0,1,0,0|2,0,0]=4 15387 B10R1.126 CC(O)CCOCC1CC1 34a_100000211283_100012276601 [1,0,0,1,0,0|1,0,0]=3 15388 B10R1.126 CC(O)CCOC[C@@H]1CO1 34a_100000757423_100012276601 [1,0,0,1,0,0|2,0,0]=4 15389 B10R1.126 CC(O)CCSCC1CC1 62a_100000756562_100012276601 [1,0,0,1,0,0|1,0,0]=3 15390 B10R1.126 CC(O)CCSCC1CC1 62a_100012276601_100000742324 [1,0,0,1,0,0|1,0,0]=3 15391 B10R1.126 CC(O)CCSCC1CO1 62a_100012276601_102125554688 [1,0,0,1,0,0|2,0,0]=4 15392 B10R1.126 CC(O)CCSCC1CO1 62a_102125554688_100012276601 [1,0,0,1,0,0|2,0,0]=4 15393 B10R1.126 CC(O)CCSCC1CS1 62a_100000031435_100012276601 [1,0,0,1,0,0|2,0,0]=4 15394 B10R1.126 CC(O)CCSCC1CS1 62a_100012276601_100000031435 [1,0,0,1,0,0|2,0,0]=4 15395 B10R1.126 CC(O)CCSC[C@@H]1CO1 62a_100000745022_100012276601 [1,0,0,1,0,0|2,0,0]=4 15396 B10R1.126 CC(O)CCSC[C@@H]1CO1 62a_100012276601_100000745022 [1,0,0,1,0,0|2,0,0]=4 15397 B10R1.126 CC(O)CNCCC1CC1 2230a_100000210904_100000694398 [1,0,0,1,0,0|1,0,0]=3 15398 B10R1.126 CC(O)CNCCC1CC1 34a_100000210904_100000694398 [1,0,0,1,0,0|1,0,0]=3 15399 B10R1.126 CC(O)CNCCC1CC1 34a_100000764129_100011218427 [1,0,0,1,0,0|1,0,0]=3 15400 B10R1.126 CC(O)CNCCC1CO1 2230a_100000210904_100000732470 [1,0,0,1,0,0|2,0,0]=4 15401 B10R1.126 CC(O)CNCCC1CO1 34a_100000210904_100000732470 [1,0,0,1,0,0|2,0,0]=4 15402 B10R1.126 CC(O)COCCC1CC1 34a_100000754188_100011218427 [1,0,0,1,0,0|1,0,0]=3 15403 B10R1.126 CC(O)COCCC1CC1 7a_100000754188_100011218427 [1,0,0,1,0,0|1,0,0]=3 15404 B10R1.126 CC(O)COCC[C@@H]1CO1 34a_100009820653_100011218427 [1,0,0,1,0,0|2,0,0]=4 15405 B10R1.126 CC(O)CSCCC1CC1 62a_100000764125_100011218427 [1,0,0,1,0,0|1,0,0]=3 15406 B10R1.126 CC(O)CSCCC1CC1 62a_100011218427_100000764125 [1,0,0,1,0,0|1,0,0]=3 15407 B10R1.126 CC(O)CSCCC1CO1 62a_100000732470_100011218427 [1,0,0,1,0,0|2,0,0]=4 15408 B10R1.126 CC(O)CSCCC1CO1 62a_100011218427_100000732470 [1,0,0,1,0,0|2,0,0]=4 15409 B10R1.126 C[C@@H](Cl)COCCC1CC1 34a_100016084084_100000694398 [1,0,0,1,0,0|2,0,0]=4 15410 B10R1.126 C[C@@H](N)CCOCC1CC1 34a_100000706166_100000742324 [1,0,0,1,0,0|2,0,0]=4 15411 B10R1.126 C[C@@H](N)COCCC1CC1 34a_100000737577_100000694398 [1,0,0,1,0,0|2,0,0]=4 15412 B10R1.126 C[C@@H](O)CNCCC1CC1 34a_100000764129_100009817552 [1,0,0,1,0,0|1,0,0]=3 15413 B10R1.126 C[C@@H](O)COCCC1CC1 34a_100000754188_100009817552 [1,0,0,1,0,0|1,0,0]=3 15414 B10R1.126 C[C@@H](O)COCCC1CC1 7a_100000754188_100009817552 [1,0,0,1,0,0|1,0,0]=3 15415 B10R1.126 C[C@@H](O)COCC[C@@H]1CO1 34a_100009820653_100009817552 [1,0,0,1,0,0|2,0,0]=4 15416 B10R1.126 C[C@@H](O)CSCCC1CC1 62a_100000764125_100009817552 [1,0,0,1,0,0|1,0,0]=3 15417 B10R1.126 C[C@@H](O)CSCCC1CC1 62a_100009817552_100000764125 [1,0,0,1,0,0|1,0,0]=3 15418 B10R1.126 C[C@@H](O)CSCCC1CO1 62a_100000732470_100009817552 [1,0,0,1,0,0|2,0,0]=4 15419 B10R1.126 C[C@@H](O)CSCCC1CO1 62a_100009817552_100000732470 [1,0,0,1,0,0|2,0,0]=4 15420 B10R1.127 CC(Br)CCOC1CCC1 34a_100009893172_100000749161 [1,0,0,1,0,0|2,0,0]=4 15421 B10R1.127 CC(Br)COCC1CCC1 34a_100012180447_100000763275 [1,0,0,1,0,0|2,0,0]=4 15422 B10R1.127 CC(C)CCCN1CCC1 269982a_100000754969_100011214892 [1,0,0,1,0,0|2,0,0]=4 15423 B10R1.127 CC(C)CCNC1CCC1 2230a_100000749019_100000210312 [1,0,0,1,0,0|2,0,0]=4 15424 B10R1.127 CC(C)CCNC1CCC1 269862a_100000749019_100000185833 [1,0,0,1,0,0|2,0,0]=4 15425 B10R1.127 CC(C)CCNC1CCC1 270004a_100000210545_100000241760 [1,0,0,1,0,0|2,0,0]=4 15426 B10R1.127 CC(C)CCNC1CCC1 34a_100000749019_100000210312 [1,0,0,1,0,0|2,0,0]=4 15427 B10R1.127 CC(C)CCOC1CCC1 34a_100000210254_100000749161 [1,0,0,1,0,0|2,0,0]=4 15428 B10R1.127 CC(C)CCOC1CCC1 34a_100000748187_100000210312 [1,0,0,1,0,0|2,0,0]=4 15429 B10R1.127 CC(C)CCSC1CCC1 62a_100000210312_100000749161 [1,0,0,1,0,0|2,0,0]=4 15430 B10R1.127 CC(C)CNCC1CCC1 2230a_100000210953_100000763275 [1,0,0,1,0,0|2,0,0]=4 15431 B10R1.127 CC(C)CNCC1CCC1 2230a_100000738700_100000210760 [1,0,0,1,0,0|2,0,0]=4 15432 B10R1.127 CC(C)CNCC1CCC1 269862a_100000210953_100000753134 [1,0,0,1,0,0|2,0,0]=4 15433 B10R1.127 CC(C)CNCC1CCC1 270004a_100000738700_100000210432 [1,0,0,1,0,0|2,0,0]=4 15434 B10R1.127 CC(C)CNCC1CCC1 34a_100000210953_100000763275 [1,0,0,1,0,0|2,0,0]=4 15435 B10R1.127 CC(C)CNCC1CCC1 34a_100000738700_100000210624 [1,0,0,1,0,0|2,0,0]=4 15436 B10R1.127 CC(C)COCC1CCC1 34a_100000210257_100000763275 [1,0,0,1,0,0|2,0,0]=4 15437 B10R1.127 CC(C)COCC1CCC1 34a_100000760304_100000210624 [1,0,0,1,0,0|2,0,0]=4 15438 B10R1.127 CC(C)CSCC1CCC1 62a_100000210624_100000763275 [1,0,0,1,0,0|2,0,0]=4 15439 B10R1.127 CC(C)CSCC1CCC1 62a_100000763275_100000210760 [1,0,0,1,0,0|2,0,0]=4 15440 B10R1.127 CC(F)COCC1CCC1 34a_100015925927_100000763275 [1,0,0,1,0,0|2,0,0]=4 15441 B10R1.127 CC(O)CCCN1CCC1 269982a_100000754969_200000718107 [1,0,0,1,0,0|1,0,0]=3 15442 B10R1.127 CC(O)CCNC1CCC1 2230a_100000749019_100012276601 [1,0,0,1,0,0|1,0,0]=3 15443 B10R1.127 CC(O)CCNC1CCC1 270004a_200000755665_100000241760 [1,0,0,1,0,0|1,0,0]=3 15444 B10R1.127 CC(O)CCNC1CCC1 34a_100000749019_100012276601 [1,0,0,1,0,0|1,0,0]=3 15445 B10R1.127 CC(O)CCNC1COC1 2230a_100016991112_100012276601 [1,0,0,1,0,0|2,0,0]=4 15446 B10R1.127 CC(O)CCOC1CCC1 34a_100000748187_100012276601 [1,0,0,1,0,0|1,0,0]=3 15447 B10R1.127 CC(O)CCOC1CSC1 7a_100000072292_100012276601 [1,0,0,1,0,0|2,0,0]=4 15448 B10R1.127 CC(O)CCSC1CCC1 62a_100012276601_100000749161 [1,0,0,1,0,0|1,0,0]=3 15449 B10R1.127 CC(O)CCSC1COC1 62a_100012276601_100009818527 [1,0,0,1,0,0|2,0,0]=4 15450 B10R1.127 CC(O)CNCC1CCC1 2230a_100000210904_100000763275 [1,0,0,1,0,0|1,0,0]=3 15451 B10R1.127 CC(O)CNCC1CCC1 2230a_100000738700_100011218427 [1,0,0,1,0,0|1,0,0]=3 15452 B10R1.127 CC(O)CNCC1CCC1 269862a_100000210904_100000753134 [1,0,0,1,0,0|1,0,0]=3 15453 B10R1.127 CC(O)CNCC1CCC1 34a_100000210904_100000763275 [1,0,0,1,0,0|1,0,0]=3 15454 B10R1.127 CC(O)CNCC1CCC1 34a_100000738700_100011218427 [1,0,0,1,0,0|1,0,0]=3 15455 B10R1.127 CC(O)CNCC1CCO1 2230a_100000210904_100000103362 [1,0,0,1,0,0|2,0,0]=4 15456 B10R1.127 CC(O)CNCC1CCO1 34a_100000210904_100000103362 [1,0,0,1,0,0|2,0,0]=4 15457 B10R1.127 CC(O)CNCC1COC1 2230a_100000210904_100010264016 [1,0,0,1,0,0|2,0,0]=4 15458 B10R1.127 CC(O)CNCC1COC1 2230a_100015281925_100011218427 [1,0,0,1,0,0|2,0,0]=4 15459 B10R1.127 CC(O)CNCC1COC1 34a_100000210904_100010264016 [1,0,0,1,0,0|2,0,0]=4 15460 B10R1.127 CC(O)CNCC1COC1 34a_100015281925_100011218427 [1,0,0,1,0,0|2,0,0]=4 15461 B10R1.127 CC(O)CNC[C@@H]1CCO1 2230a_100020831831_100011218427 [1,0,0,1,0,0|2,0,0]=4 15462 B10R1.127 CC(O)CNC[C@@H]1CCO1 34a_100020831831_100011218427 [1,0,0,1,0,0|2,0,0]=4 15463 B10R1.127 CC(O)COCC1CCC1 34a_100000760304_100011218427 [1,0,0,1,0,0|1,0,0]=3 15464 B10R1.127 CC(O)COCC1CCO1 34a_100000039022_100011218427 [1,0,0,1,0,0|2,0,0]=4 15465 B10R1.127 CC(O)COCC1CNC1 34a_100016987283_100011218427 [1,0,0,1,0,0|2,0,0]=4 15466 B10R1.127 CC(O)COCC1COC1 34a_100000060846_100011218427 [1,0,0,1,0,0|2,0,0]=4 15467 B10R1.127 CC(O)CSCC1CCC1 62a_100000763275_100011218427 [1,0,0,1,0,0|1,0,0]=3 15468 B10R1.127 CC(O)CSCC1CCC1 62a_100011218427_100000763275 [1,0,0,1,0,0|1,0,0]=3 15469 B10R1.127 CC(O)CSCC1CCO1 62a_100000103362_100011218427 [1,0,0,1,0,0|2,0,0]=4 15470 B10R1.127 CC(O)CSCC1CCO1 62a_100011218427_100000103362 [1,0,0,1,0,0|2,0,0]=4 15471 B10R1.127 CC(O)CSCC1COC1 62a_100010264016_100011218427 [1,0,0,1,0,0|2,0,0]=4 15472 B10R1.127 CC(O)CSCC1COC1 62a_100011218427_100010264016 [1,0,0,1,0,0|2,0,0]=4 15473 B10R1.127 C[C@@H](Cl)COCC1CCC1 34a_100016084084_100000763275 [1,0,0,1,0,0|2,0,0]=4 15474 B10R1.127 C[C@@H](N)CCOC1CCC1 34a_100000706166_100000749161 [1,0,0,1,0,0|2,0,0]=4 15475 B10R1.127 C[C@@H](N)COCC1CCC1 34a_100000737577_100000763275 [1,0,0,1,0,0|2,0,0]=4 15476 B10R1.127 C[C@@H](O)CNCC1CCC1 2230a_100000738700_100009817552 [1,0,0,1,0,0|1,0,0]=3 15477 B10R1.127 C[C@@H](O)CNCC1CCC1 34a_100000738700_100009817552 [1,0,0,1,0,0|1,0,0]=3 15478 B10R1.127 C[C@@H](O)CNCC1COC1 2230a_100015281925_100009817552 [1,0,0,1,0,0|2,0,0]=4 15479 B10R1.127 C[C@@H](O)CNCC1COC1 34a_100015281925_100009817552 [1,0,0,1,0,0|2,0,0]=4 15480 B10R1.127 C[C@@H](O)CNC[C@@H]1CCO1 2230a_100020831831_100009817552 [1,0,0,1,0,0|2,0,0]=4 15481 B10R1.127 C[C@@H](O)CNC[C@@H]1CCO1 34a_100020831831_100009817552 [1,0,0,1,0,0|2,0,0]=4 15482 B10R1.127 C[C@@H](O)COCC1CCC1 34a_100000760304_100009817552 [1,0,0,1,0,0|1,0,0]=3 15483 B10R1.127 C[C@@H](O)COCC1CCO1 34a_100000039022_100009817552 [1,0,0,1,0,0|2,0,0]=4 15484 B10R1.127 C[C@@H](O)COCC1CNC1 34a_100016987283_100009817552 [1,0,0,1,0,0|2,0,0]=4 15485 B10R1.127 C[C@@H](O)COCC1COC1 34a_100000060846_100009817552 [1,0,0,1,0,0|2,0,0]=4 15486 B10R1.127 C[C@@H](O)CSCC1CCC1 62a_100000763275_100009817552 [1,0,0,1,0,0|1,0,0]=3 15487 B10R1.127 C[C@@H](O)CSCC1CCC1 62a_100009817552_100000763275 [1,0,0,1,0,0|1,0,0]=3 15488 B10R1.127 C[C@@H](O)CSCC1CCO1 62a_100000103362_100009817552 [1,0,0,1,0,0|2,0,0]=4 15489 B10R1.127 C[C@@H](O)CSCC1CCO1 62a_100009817552_100000103362 [1,0,0,1,0,0|2,0,0]=4 15490 B10R1.127 C[C@@H](O)CSCC1COC1 62a_100009817552_100010264016 [1,0,0,1,0,0|2,0,0]=4 15491 B10R1.127 C[C@@H](O)CSCC1COC1 62a_100010264016_100009817552 [1,0,0,1,0,0|2,0,0]=4 15492 B10R1.133 CCCN1CCCC1(C)C 2230a_100000761399_100000210303 [1,0,0,1,0,0|2,0,0]=4 15493 B10R1.133 CCCN1CCCC1(C)C 269982a_100000761399_100000210303 [1,0,0,1,0,0|2,0,0]=4 15494 B10R1.133 CCCN1CCCC1(C)C 34a_100000761399_100000210303 [1,0,0,1,0,0|2,0,0]=4 15495 B10R1.133 CCNC1CCCC1(C)C 269862a_100015525214_100000065263 [1,0,0,1,0,0|2,0,0]=4 15496 B10R1.133 CCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000210202 [1,0,0,1,0,0|1,0,0]=3 15497 B10R1.133 CCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000210202 [1,0,0,1,0,0|1,0,0]=3 15498 B10R1.133 CCOC1CCCC1(C)C 34a_100000726220_100000210202 [1,0,0,1,0,0|2,0,0]=4 15499 B10R1.133 CCOC1CCCC1(C)C 7a_100000726220_100000210202 [1,0,0,1,0,0|2,0,0]=4 15500 B10R1.133 C[C@]1(CCC[C@H]1NCF)O 34a_100015977457_100015361967 [1,0,0,1,0,0|2,0,0]=4 15501 B10R1.162 CCN1CCCCC(C1)O 2230a_100025706797_100000210202 [1,0,0,1,0,0|1,0,0]=3 15502 B10R1.162 CCN1CCCCC(C1)O 269982a_100025706797_100000204670 [1,0,0,1,0,0|1,0,0]=3 15503 B10R1.162 CCN1CCOC[C@@H](C1)O 2230a_100016073750_100000210202 [1,0,0,1,0,0|2,0,0]=4 15504 B10R1.162 CCN1CCOC[C@@H](C1)O 269982a_100016073750_100000204670 [1,0,0,1,0,0|2,0,0]=4 15505 B10R1.162 OC1CCCCN(C1)CF 269982a_100025706797_100015361967 [1,0,0,1,0,0|2,0,0]=4 15506 B10R1.177 BrCCCCOCC1CO1 34a_100011216708_102125554688 [1,0,0,1,0,0|2,0,0]=4 15507 B10R1.177 BrCCCOCCC1CO1 34a_100011217188_100000732470 [1,0,0,1,0,0|2,0,0]=4 15508 B10R1.177 BrCCOCCCC1CO1 34a_100000211926_100000733510 [1,0,0,1,0,0|2,0,0]=4 15509 B10R1.177 CCCCCCNC1CC1 34a_100000212008_100000210314 [1,0,0,1,0,0|2,0,0]=4 15510 B10R1.177 CCCCCCOC1CC1 34a_100000210259_100000211595 [1,0,0,1,0,0|2,0,0]=4 15511 B10R1.177 CCCCCCSC1CC1 62a_100000210314_100000211595 [1,0,0,1,0,0|2,0,0]=4 15512 B10R1.177 CCCCCNCC1CC1 2230a_100000209983_100000742324 [1,0,0,1,0,0|2,0,0]=4 15513 B10R1.177 CCCCCNCC1CC1 2230a_100000735609_100000210326 [1,0,0,1,0,0|2,0,0]=4 15514 B10R1.177 CCCCCNCC1CC1 269862a_100000209983_100000741477 [1,0,0,1,0,0|2,0,0]=4 15515 B10R1.177 CCCCCNCC1CC1 34a_100000735609_100000718602 [1,0,0,1,0,0|2,0,0]=4 15516 B10R1.177 CCCCCNCC1CO1 2230a_100000209983_100011216344 [1,0,0,1,0,0|1,0,0]=3 15517 B10R1.177 CCCCCOCC1CC1 34a_100000210253_100000742324 [1,0,0,1,0,0|2,0,0]=4 15518 B10R1.177 CCCCCOCC1CC1 34a_100000211283_100000718602 [1,0,0,1,0,0|2,0,0]=4 15519 B10R1.177 CCCCCOCC1CC1 7a_100000210253_100000742324 [1,0,0,1,0,0|2,0,0]=4 15520 B10R1.177 CCCCCOCC1CO1 34a_100000210253_102125554688 [1,0,0,1,0,0|1,0,0]=3 15521 B10R1.177 CCCCCOCC1CO1 7a_100000210253_102125554688 [1,0,0,1,0,0|1,0,0]=3 15522 B10R1.177 CCCCCOCC1CS1 7a_100000210253_100000031435 [1,0,0,1,0,0|1,1,0]=4 15523 B10R1.177 CCCCCOC[C@@H]1CO1 34a_100000757423_100000718602 [1,0,0,1,0,0|1,0,0]=3 15524 B10R1.177 CCCCCOC[C@@H]1CO1 7a_100000210253_100000745022 [1,0,0,1,0,0|1,0,0]=3 15525 B10R1.177 CCCCCSCC1CC1 62a_100000210326_100000742324 [1,0,0,1,0,0|2,0,0]=4 15526 B10R1.177 CCCCCSCC1CC1 62a_100000756562_100000210326 [1,0,0,1,0,0|2,0,0]=4 15527 B10R1.177 CCCCCSCC1CO1 62a_100000210326_102125554688 [1,0,0,1,0,0|1,0,0]=3 15528 B10R1.177 CCCCCSCC1CO1 62a_102125554688_100000210326 [1,0,0,1,0,0|1,0,0]=3 15529 B10R1.177 CCCCCSCC1CS1 62a_100000031435_100000210326 [1,0,0,1,0,0|1,1,0]=4 15530 B10R1.177 CCCCCSCC1CS1 62a_100000210326_100000031435 [1,0,0,1,0,0|1,1,0]=4 15531 B10R1.177 CCCCCSC[C@@H]1CO1 62a_100000210326_100000745022 [1,0,0,1,0,0|1,0,0]=3 15532 B10R1.177 CCCCCSC[C@@H]1CO1 62a_100000745022_100000210326 [1,0,0,1,0,0|1,0,0]=3 15533 B10R1.177 CCCCNCCC1CC1 2230a_100000102301_100000694398 [1,0,0,1,0,0|2,0,0]=4 15534 B10R1.177 CCCCNCCC1CC1 34a_100000764129_100000210210 [1,0,0,1,0,0|2,0,0]=4 15535 B10R1.177 CCCCNCCC1CC1 7a_106832991798_100000764125 [1,0,0,1,0,0|2,0,0]=4 15536 B10R1.177 CCCCNCCC1CO1 2230a_100000102301_100000732470 [1,0,0,1,0,0|1,0,0]=3 15537 B10R1.177 CCCCNCCC1CO1 7a_106832991798_100000732470 [1,0,0,1,0,0|1,0,0]=3 15538 B10R1.177 CCCCOCCC1CC1 34a_100000210227_100000694398 [1,0,0,1,0,0|2,0,0]=4 15539 B10R1.177 CCCCOCCC1CC1 34a_100000754188_100000210210 [1,0,0,1,0,0|2,0,0]=4 15540 B10R1.177 CCCCOCCC1CC1 7a_100000210227_100000764125 [1,0,0,1,0,0|2,0,0]=4 15541 B10R1.177 CCCCOCCC1CC1 7a_100000754188_100000210211 [1,0,0,1,0,0|2,0,0]=4 15542 B10R1.177 CCCCOCCC1CO1 34a_100000210227_100000732470 [1,0,0,1,0,0|1,0,0]=3 15543 B10R1.177 CCCCOCCC1CO1 7a_100000210227_100000732470 [1,0,0,1,0,0|1,0,0]=3 15544 B10R1.177 CCCCOCC[C@@H]1CO1 34a_100009820653_100000210210 [1,0,0,1,0,0|1,0,0]=3 15545 B10R1.177 CCCCSCCC1CC1 62a_100000210211_100000764125 [1,0,0,1,0,0|2,0,0]=4 15546 B10R1.177 CCCCSCCC1CC1 62a_100000764125_100000210210 [1,0,0,1,0,0|2,0,0]=4 15547 B10R1.177 CCCCSCCC1CO1 62a_100000210211_100000732470 [1,0,0,1,0,0|1,0,0]=3 15548 B10R1.177 CCCCSCCC1CO1 62a_100000732470_100000210210 [1,0,0,1,0,0|1,0,0]=3 15549 B10R1.177 CCCOCCCC1CO1 34a_100000210258_100000733510 [1,0,0,1,0,0|1,0,0]=3 15550 B10R1.177 CCCSCCCC1CO1 62a_100000210303_100000733510 [1,0,0,1,0,0|1,0,0]=3 15551 B10R1.177 CCCSCCCC1CO1 62a_100000733510_100000210303 [1,0,0,1,0,0|1,0,0]=3 15552 B10R1.177 CCOCCNCC1CO1 2230a_102516460346_100011216344 [1,0,0,1,0,0|2,0,0]=4 15553 B10R1.177 CCOCCNCC1CO1 34a_102516460346_102125554688 [1,0,0,1,0,0|2,0,0]=4 15554 B10R1.177 CCOCCOCC1CO1 34a_100000210136_102125554688 [1,0,0,1,0,0|2,0,0]=4 15555 B10R1.177 CCOCCOCC1CO1 7a_100000210136_102125554688 [1,0,0,1,0,0|2,0,0]=4 15556 B10R1.177 CCOCCOC[C@@H]1CO1 34a_100000757423_100000210147 [1,0,0,1,0,0|2,0,0]=4 15557 B10R1.177 CCOCCOC[C@@H]1CO1 7a_100000210136_100000745022 [1,0,0,1,0,0|2,0,0]=4 15558 B10R1.177 CCOCCSCC1CO1 62a_100000210147_102125554688 [1,0,0,1,0,0|2,0,0]=4 15559 B10R1.177 CCOCCSCC1CO1 62a_102125554688_100011215890 [1,0,0,1,0,0|2,0,0]=4 15560 B10R1.177 CCOCCSC[C@@H]1CO1 62a_100000210147_100000745022 [1,0,0,1,0,0|2,0,0]=4 15561 B10R1.177 CCOCCSC[C@@H]1CO1 62a_100000745022_100011215890 [1,0,0,1,0,0|2,0,0]=4 15562 B10R1.177 CCOCSCCC1CO1 62a_100000732470_100000739092 [1,0,0,1,0,0|2,0,0]=4 15563 B10R1.177 CCOCSCCC1CO1 62a_100000739092_100000732470 [1,0,0,1,0,0|2,0,0]=4 15564 B10R1.177 CCSCCNCC1CO1 2230a_100000106463_100011216344 [1,0,0,1,0,0|2,0,0]=4 15565 B10R1.177 CCSCCOCC1CO1 34a_100000212035_102125554688 [1,0,0,1,0,0|2,0,0]=4 15566 B10R1.177 CCSCCOCC1CO1 7a_100000212035_102125554688 [1,0,0,1,0,0|2,0,0]=4 15567 B10R1.177 CCSCCOC[C@@H]1CO1 34a_100000757423_100000757381 [1,0,0,1,0,0|2,0,0]=4 15568 B10R1.177 CCSCCOC[C@@H]1CO1 7a_100000212035_100000745022 [1,0,0,1,0,0|2,0,0]=4 15569 B10R1.177 CCSCCSCC1CO1 62a_100000757381_102125554688 [1,0,0,1,0,0|2,0,0]=4 15570 B10R1.177 CCSCCSCC1CO1 62a_102125554688_100000757381 [1,0,0,1,0,0|2,0,0]=4 15571 B10R1.177 CCSCCSC[C@@H]1CO1 62a_100000745022_100000757381 [1,0,0,1,0,0|2,0,0]=4 15572 B10R1.177 CCSCCSC[C@@H]1CO1 62a_100000757381_100000745022 [1,0,0,1,0,0|2,0,0]=4 15573 B10R1.177 CNCCCOCC1CO1 34a_100000213112_102125554688 [1,0,0,1,0,0|2,0,0]=4 15574 B10R1.177 COCCCNCC1CO1 34a_100150723488_102125554688 [1,0,0,1,0,0|2,0,0]=4 15575 B10R1.177 COCCCOCC1CO1 34a_100000740835_102125554688 [1,0,0,1,0,0|2,0,0]=4 15576 B10R1.177 COCCCOC[C@@H]1CO1 34a_100000757423_100000740836 [1,0,0,1,0,0|2,0,0]=4 15577 B10R1.177 COCCCSCC1CO1 62a_100000709357_102125554688 [1,0,0,1,0,0|2,0,0]=4 15578 B10R1.177 COCCCSCC1CO1 62a_102125554688_100000709357 [1,0,0,1,0,0|2,0,0]=4 15579 B10R1.177 COCCCSC[C@@H]1CO1 62a_100000709357_100000745022 [1,0,0,1,0,0|2,0,0]=4 15580 B10R1.177 COCCCSC[C@@H]1CO1 62a_100000745022_100000709357 [1,0,0,1,0,0|2,0,0]=4 15581 B10R1.177 COCCNCCC1CO1 2230a_100000209980_100000732470 [1,0,0,1,0,0|2,0,0]=4 15582 B10R1.177 COCCOCCC1CO1 34a_100000210237_100000732470 [1,0,0,1,0,0|2,0,0]=4 15583 B10R1.177 COCCOCC[C@@H]1CO1 34a_100009820653_100011201679 [1,0,0,1,0,0|2,0,0]=4 15584 B10R1.177 COCCSCCC1CO1 62a_100000233755_100000732470 [1,0,0,1,0,0|2,0,0]=4 15585 B10R1.177 COCCSCCC1CO1 62a_100000732470_100000233755 [1,0,0,1,0,0|2,0,0]=4 15586 B10R1.177 COCSCCCC1CO1 62a_100000733510_100000766300 [1,0,0,1,0,0|2,0,0]=4 15587 B10R1.177 COCSCCCC1CO1 62a_100000766300_100000733510 [1,0,0,1,0,0|2,0,0]=4 15588 B10R1.177 CSCCCNCC1CO1 2230a_100000749238_100011216344 [1,0,0,1,0,0|2,0,0]=4 15589 B10R1.177 CSCCCOCC1CO1 34a_100000690336_102125554688 [1,0,0,1,0,0|2,0,0]=4 15590 B10R1.177 CSCCCOCC1CO1 7a_100000690336_102125554688 [1,0,0,1,0,0|2,0,0]=4 15591 B10R1.177 CSCCCOC[C@@H]1CO1 7a_100000690336_100000745022 [1,0,0,1,0,0|2,0,0]=4 15592 B10R1.177 CSCCNCCC1CO1 2230a_100020590264_100000732470 [1,0,0,1,0,0|2,0,0]=4 15593 B10R1.177 CSCCOCCC1CO1 34a_100000230434_100000732470 [1,0,0,1,0,0|2,0,0]=4 15594 B10R1.177 CSCCOCCC1CO1 7a_100000230434_100000732470 [1,0,0,1,0,0|2,0,0]=4 15595 B10R1.177 CSCCOCC[C@@H]1CO1 34a_100009820653_100000212216 [1,0,0,1,0,0|2,0,0]=4 15596 B10R1.177 CSCCSCCC1CO1 62a_100000212216_100000732470 [1,0,0,1,0,0|2,0,0]=4 15597 B10R1.177 CSCCSCCC1CO1 62a_100000732470_100000751147 [1,0,0,1,0,0|2,0,0]=4 15598 B10R1.177 CSCSCCCC1CO1 62a_100000733510_100011218213 [1,0,0,1,0,0|2,0,0]=4 15599 B10R1.177 CSCSCCCC1CO1 62a_100011218213_100000733510 [1,0,0,1,0,0|2,0,0]=4 15600 B10R1.177 ClCCCCOCC1CO1 34a_100000210776_102125554688 [1,0,0,1,0,0|2,0,0]=4 15601 B10R1.177 ClCCCCOCC1CO1 7a_100000210776_102125554688 [1,0,0,1,0,0|2,0,0]=4 15602 B10R1.177 ClCCCCOC[C@@H]1CO1 7a_100000210776_100000745022 [1,0,0,1,0,0|2,0,0]=4 15603 B10R1.177 ClCCCOCCC1CO1 34a_100000230001_100000732470 [1,0,0,1,0,0|2,0,0]=4 15604 B10R1.177 FCCCCOCC1CO1 34a_100011995726_102125554688 [1,0,0,1,0,0|2,0,0]=4 15605 B10R1.177 FCCCCOCC1CO1 7a_100011995726_102125554688 [1,0,0,1,0,0|2,0,0]=4 15606 B10R1.177 FCCCCOC[C@@H]1CO1 34a_100000757423_100000729493 [1,0,0,1,0,0|2,0,0]=4 15607 B10R1.177 FCCCCOC[C@@H]1CO1 7a_100011995726_100000745022 [1,0,0,1,0,0|2,0,0]=4 15608 B10R1.177 FCCCCSCC1CO1 62a_100000729493_102125554688 [1,0,0,1,0,0|2,0,0]=4 15609 B10R1.177 FCCCCSCC1CO1 62a_102125554688_100000729493 [1,0,0,1,0,0|2,0,0]=4 15610 B10R1.177 FCCCCSC[C@@H]1CO1 62a_100000729493_100000745022 [1,0,0,1,0,0|2,0,0]=4 15611 B10R1.177 FCCCCSC[C@@H]1CO1 62a_100000745022_100000729493 [1,0,0,1,0,0|2,0,0]=4 15612 B10R1.177 FCCCNCCC1CO1 2230a_100015189416_100000732470 [1,0,0,1,0,0|2,0,0]=4 15613 B10R1.177 FCCCNCCC1CO1 34a_100015189416_100000732470 [1,0,0,1,0,0|2,0,0]=4 15614 B10R1.177 FCCCOCCC1CO1 34a_100000759539_100000732470 [1,0,0,1,0,0|2,0,0]=4 15615 B10R1.177 FCCCOCC[C@@H]1CO1 34a_100009820653_100011934791 [1,0,0,1,0,0|2,0,0]=4 15616 B10R1.177 FCCCSCCC1CO1 62a_100000732470_100011934791 [1,0,0,1,0,0|2,0,0]=4 15617 B10R1.177 FCCCSCCC1CO1 62a_100011934791_100000732470 [1,0,0,1,0,0|2,0,0]=4 15618 B10R1.177 FCCNCCCC1CO1 34a_100000724931_100000733510 [1,0,0,1,0,0|2,0,0]=4 15619 B10R1.177 FCCSCCCC1CO1 62a_100000733510_100011217306 [1,0,0,1,0,0|2,0,0]=4 15620 B10R1.177 FCCSCCCC1CO1 62a_100011217306_100000733510 [1,0,0,1,0,0|2,0,0]=4 15621 B10R1.177 ICCCCOCC1CO1 34a_200012148704_102125554688 [1,0,0,1,0,0|2,0,0]=4 15622 B10R1.177 NCCCCOCC1CO1 34a_100000750430_102125554688 [1,0,0,1,0,0|2,0,0]=4 15623 B10R1.177 NCCCOCCC1CO1 34a_100000182051_100000732470 [1,0,0,1,0,0|2,0,0]=4 15624 B10R1.177 NCCOCCCC1CO1 34a_100000210304_100000733510 [1,0,0,1,0,0|2,0,0]=4 15625 B10R1.177 OCCCCNCC1CO1 2230a_100000750430_100011216344 [1,0,0,1,0,0|2,0,0]=4 15626 B10R1.177 OCCCCNCC1CO1 34a_100000750430_102125554688 [1,0,0,1,0,0|2,0,0]=4 15627 B10R1.177 OCCCCOC[C@@H]1CO1 34a_100000757423_100011216708 [1,0,0,1,0,0|2,0,0]=4 15628 B10R1.177 OCCCCSCC1CO1 62a_100000210776_102125554688 [1,0,0,1,0,0|2,0,0]=4 15629 B10R1.177 OCCCCSCC1CO1 62a_102125554688_100000210776 [1,0,0,1,0,0|2,0,0]=4 15630 B10R1.177 OCCCCSC[C@@H]1CO1 62a_100000210776_100000745022 [1,0,0,1,0,0|2,0,0]=4 15631 B10R1.177 OCCCCSC[C@@H]1CO1 62a_100000745022_100000210776 [1,0,0,1,0,0|2,0,0]=4 15632 B10R1.177 OCCCOCC[C@@H]1CO1 34a_100009820653_100000230001 [1,0,0,1,0,0|2,0,0]=4 15633 B10R1.177 OCCCSCCC1CO1 62a_100000732470_100011215043 [1,0,0,1,0,0|2,0,0]=4 15634 B10R1.177 OCCCSCCC1CO1 62a_100011215043_100000732470 [1,0,0,1,0,0|2,0,0]=4 15635 B10R1.177 OCCNCCCC1CO1 2230a_100016997473_100000733510 [1,0,0,1,0,0|2,0,0]=4 15636 B10R1.177 OCCNCCCC1CO1 34a_100016990907_100000733510 [1,0,0,1,0,0|2,0,0]=4 15637 B10R1.177 OCCSCCCC1CO1 62a_100000211926_100000733510 [1,0,0,1,0,0|2,0,0]=4 15638 B10R1.177 OCCSCCCC1CO1 62a_100000733510_100000211926 [1,0,0,1,0,0|2,0,0]=4 15639 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [1,0,0,1,0,0|0,0,2]=4 15640 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [1,0,0,1,0,0|0,0,2]=4 15641 B10R1.348 CC(C)N1CCCCCC1 2230a_100000185865_100000210206 [1,0,0,1,0,0|2,0,0]=4 15642 B10R1.348 CC(C)N1CCCCCC1 269982a_100000185865_100000210206 [1,0,0,1,0,0|2,0,0]=4 15643 B10R1.348 CC(C)N1CCCCCC1 34a_100000185865_100000210206 [1,0,0,1,0,0|2,0,0]=4 15644 B10R1.348 CN(C)C1CCCCCC1 2230a_100015185097_200000210301 [1,0,0,1,0,0|2,0,0]=4 15645 B10R1.348 CN(C)C1CCCCCC1 269982a_100015185097_200000210301 [1,0,0,1,0,0|2,0,0]=4 15646 B10R1.348 CN(C)C1CCCCCC1 269982a_100102631434_100011217769 [1,0,0,1,0,0|2,0,0]=4 15647 B10R1.348 CN(C)C1CCCCCC1 270004a_100102631434_100000210131 [1,0,0,1,0,0|2,0,0]=4 15648 B10R1.348 CN(C)C1CCCCCC1 34a_100015185097_200000210301 [1,0,0,1,0,0|2,0,0]=4 15649 B10R1.348 CN([13CH3])C1CCCCCC1 2230a_100015185097_200025704644 [1,0,0,1,0,0|2,0,0]=4 15650 B10R1.348 CN([13CH3])C1CCCCCC1 269982a_100015185097_200025704644 [1,0,0,1,0,0|2,0,0]=4 15651 B10R1.348 CN([13CH3])C1CCCCCC1 34a_100015185097_200025704644 [1,0,0,1,0,0|2,0,0]=4 15652 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [1,0,0,1,0,0|0,0,2]=4 15653 B10R1.375 CCCOCC1CC1(C)C 34a_100000728257_100000210303 [1,0,0,1,0,0|2,0,0]=4 15654 B10R1.375 CCCOCC1CC1(C)C 7a_100000728257_100000210303 [1,0,0,1,0,0|2,0,0]=4 15655 B10R1.4 CC1CCCCC1NCF 34a_100000211402_100015361967 [1,0,0,1,0,0|2,0,0]=4 15656 B10R1.4 CC1CCCCC1OCF 34a_100000211207_100015361967 [1,0,0,1,0,0|2,0,0]=4 15657 B10R1.4 CC1CCCCC1OCF 7a_100000211207_100015361967 [1,0,0,1,0,0|2,0,0]=4 15658 B10R1.4 CC1CCCCN1CCF 2230a_100000211376_100011217306 [1,0,0,1,0,0|2,0,0]=4 15659 B10R1.4 CC1CCCCN1CCF 269982a_100000211376_100011217306 [1,0,0,1,0,0|2,0,0]=4 15660 B10R1.4 CC1CCCCN1CCF 34a_100000211376_100011217306 [1,0,0,1,0,0|2,0,0]=4 15661 B10R1.4 CC1CCCCN1CCO 2230a_100000211376_100000211926 [1,0,0,1,0,0|2,0,0]=4 15662 B10R1.4 CC1CCCCN1CCO 269982a_100000211376_100000211926 [1,0,0,1,0,0|2,0,0]=4 15663 B10R1.4 CC1CCCCN1CCO 34a_100000211376_100000211926 [1,0,0,1,0,0|2,0,0]=4 15664 B10R1.4 CCCC1CCCCN1C 2230a_100000701414_200000210301 [1,0,0,1,0,0|1,0,0]=3 15665 B10R1.4 CCCC1CCCCN1C 269982a_100000701414_200000210301 [1,0,0,1,0,0|1,0,0]=3 15666 B10R1.4 CCCC1CCCCN1C 34a_100000701414_200000210301 [1,0,0,1,0,0|1,0,0]=3 15667 B10R1.4 CCCC1CCCCN1[13CH3] 2230a_100000701414_200025704644 [1,0,0,1,0,0|1,0,0]=3 15668 B10R1.4 CCCC1CCCCN1[13CH3] 269982a_100000701414_200025704644 [1,0,0,1,0,0|1,0,0]=3 15669 B10R1.4 CCCC1CCCCN1[13CH3] 34a_100000701414_200025704644 [1,0,0,1,0,0|1,0,0]=3 15670 B10R1.4 CCCC1COCCN1C 2230a_102495339903_200000210301 [1,0,0,1,0,0|2,0,0]=4 15671 B10R1.4 CCCC1COCCN1C 269982a_102495339903_200000210301 [1,0,0,1,0,0|2,0,0]=4 15672 B10R1.4 CCCC1COCCN1C 34a_102495339903_200000210301 [1,0,0,1,0,0|2,0,0]=4 15673 B10R1.4 CCCC1COCCN1[13CH3] 2230a_102495339903_200025704644 [1,0,0,1,0,0|2,0,0]=4 15674 B10R1.4 CCCC1COCCN1[13CH3] 269982a_102495339903_200025704644 [1,0,0,1,0,0|2,0,0]=4 15675 B10R1.4 CCCC1COCCN1[13CH3] 34a_102495339903_200025704644 [1,0,0,1,0,0|2,0,0]=4 15676 B10R1.4 CCCN1CCCCC1C 2230a_100000211376_100000210303 [1,0,0,1,0,0|1,0,0]=3 15677 B10R1.4 CCCN1CCCCC1C 269982a_100000211376_100000210303 [1,0,0,1,0,0|1,0,0]=3 15678 B10R1.4 CCCN1CCCCC1C 34a_100000211376_100000210303 [1,0,0,1,0,0|1,0,0]=3 15679 B10R1.4 CCCN1CCOC[C@@H]1C 2230a_100009815349_100000210303 [1,0,0,1,0,0|2,0,0]=4 15680 B10R1.4 CCCN1CCOC[C@@H]1C 269982a_100009815349_100000210303 [1,0,0,1,0,0|2,0,0]=4 15681 B10R1.4 CCCN1CCOC[C@@H]1C 34a_100009815349_100000210303 [1,0,0,1,0,0|2,0,0]=4 15682 B10R1.4 CCNC1CCCCC1C 2230a_100000211402_100000210202 [1,0,0,1,0,0|1,0,0]=3 15683 B10R1.4 CCNC1CCCCC1C 269862a_100015525214_100000210921 [1,0,0,1,0,0|1,0,0]=3 15684 B10R1.4 CCNC1CCCCC1C 270004a_100015525214_100000210921 [1,0,0,1,0,0|1,0,0]=3 15685 B10R1.4 CCNC1CCCCC1C 34a_100000211402_100000210202 [1,0,0,1,0,0|1,0,0]=3 15686 B10R1.4 CCNC1CCNCC1C 270004a_100015525214_100000703950 [1,0,0,1,0,0|2,0,0]=4 15687 B10R1.4 CCNC1CCOCC1C 270004a_100015525214_100000755695 [1,0,0,1,0,0|2,0,0]=4 15688 B10R1.4 CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210202 [1,0,0,1,0,0|2,0,0]=4 15689 B10R1.4 CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000210202 [1,0,0,1,0,0|2,0,0]=4 15690 B10R1.4 CCOC1CCCCC1C 34a_100000211207_100000210202 [1,0,0,1,0,0|1,0,0]=3 15691 B10R1.4 CCOC1CCCCC1C 7a_100000211207_100000210202 [1,0,0,1,0,0|1,0,0]=3 15692 B10R1.4 CCOC1CCCCC1Cl 34a_100000038908_100000210202 [1,0,0,1,0,0|2,0,0]=4 15693 B10R1.4 CCOC1CCCCC1Cl 7a_100000038908_100000210202 [1,0,0,1,0,0|2,0,0]=4 15694 B10R1.4 CCOC1CCCCC1F 34a_100121572206_100015423560 [1,0,0,1,0,0|2,0,0]=4 15695 B10R1.4 CCOC1CCCCC1O 34a_100121572206_100000038908 [1,0,0,1,0,0|2,0,0]=4 15696 B10R1.4 CCOC1CCNCC1C 34a_100011998114_100000210202 [1,0,0,1,0,0|2,0,0]=4 15697 B10R1.4 CCOC1CNCCC1C 34a_100000696640_100000210202 [1,0,0,1,0,0|2,0,0]=4 15698 B10R1.4 CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000210202 [1,0,0,1,0,0|2,0,0]=4 15699 B10R1.4 CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210202 [1,0,0,1,0,0|2,0,0]=4 15700 B10R1.4 CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000210202 [1,0,0,1,0,0|2,0,0]=4 15701 B10R1.4 CCSC1CCCCC1F 62a_100000210202_100015423560 [1,0,0,1,0,0|2,0,0]=4 15702 B10R1.4 CCSC1CCCCC1F 62a_100015423560_100000210202 [1,0,0,1,0,0|2,0,0]=4 15703 B10R1.4 CCSC1CCCCC1O 62a_100000038908_100000210202 [1,0,0,1,0,0|2,0,0]=4 15704 B10R1.4 CCSC1CCCCC1O 62a_100000210202_100000038908 [1,0,0,1,0,0|2,0,0]=4 15705 B10R1.4 CN1CCCCC1CCO 2230a_100000211664_200000210301 [1,0,0,1,0,0|2,0,0]=4 15706 B10R1.4 CN1CCCCC1CCO 269982a_100000211664_200000210301 [1,0,0,1,0,0|2,0,0]=4 15707 B10R1.4 CN1CCCCC1CCO 34a_100000211664_200000210301 [1,0,0,1,0,0|2,0,0]=4 15708 B10R1.4 CN1CCCCC1CN[13CH3] 34a_100011228421_200025704644 [1,0,0,1,0,0|2,0,0]=4 15709 B10R1.4 CN1CCCCC1CO[13CH3] 34a_100000225079_200025704644 [1,0,0,1,0,0|2,0,0]=4 15710 B10R1.4 CN1CCCCC1CS[13CH3] 62a_100015185383_200025704644 [1,0,0,1,0,0|2,0,0]=4 15711 B10R1.4 CN1CCCCC1CS[13CH3] 62a_200025704644_100015185383 [1,0,0,1,0,0|2,0,0]=4 15712 B10R1.4 CNCC1CCCCC1O 34a_100011216029_200000210301 [1,0,0,1,0,0|2,0,0]=4 15713 B10R1.4 CNCC1CCCCN1C 34a_100011228421_200000210301 [1,0,0,1,0,0|2,0,0]=4 15714 B10R1.4 CNCC1CCCCN1C 34a_100102657272_100015186950 [1,0,0,1,0,0|2,0,0]=4 15715 B10R1.4 CNCC1CCCCN1C 7a_106832991635_100015185383 [1,0,0,1,0,0|2,0,0]=4 15716 B10R1.4 COCC1CCCCN1C 2230a_100015184032_200000210301 [1,0,0,1,0,0|2,0,0]=4 15717 B10R1.4 COCC1CCCCN1C 269982a_100015184032_200000210301 [1,0,0,1,0,0|2,0,0]=4 15718 B10R1.4 COCC1CCCCN1C 34a_100000225079_200000210301 [1,0,0,1,0,0|2,0,0]=4 15719 B10R1.4 COCC1CCCCN1C 34a_100015184032_200000210301 [1,0,0,1,0,0|2,0,0]=4 15720 B10R1.4 COCC1CCCCN1C 34a_100138415774_100015186950 [1,0,0,1,0,0|2,0,0]=4 15721 B10R1.4 COCC1CCCCN1[13CH3] 2230a_100015184032_200025704644 [1,0,0,1,0,0|2,0,0]=4 15722 B10R1.4 COCC1CCCCN1[13CH3] 269982a_100015184032_200025704644 [1,0,0,1,0,0|2,0,0]=4 15723 B10R1.4 COCC1CCCCN1[13CH3] 34a_100015184032_200025704644 [1,0,0,1,0,0|2,0,0]=4 15724 B10R1.4 COCN1CCCCC1C 2230a_100000211376_100000766300 [1,0,0,1,0,0|2,0,0]=4 15725 B10R1.4 COCN1CCCCC1C 269982a_100000211376_100000766300 [1,0,0,1,0,0|2,0,0]=4 15726 B10R1.4 CSCC1CCCCN1C 62a_100015185383_200000210301 [1,0,0,1,0,0|2,0,0]=4 15727 B10R1.4 CSCC1CCCCN1C 62a_200000210301_100015185383 [1,0,0,1,0,0|2,0,0]=4 15728 B10R1.4 CSCN1CCCCC1C 2230a_100000211376_100011218213 [1,0,0,1,0,0|2,0,0]=4 15729 B10R1.4 CSCN1CCCCC1C 269982a_100000211376_100011218213 [1,0,0,1,0,0|2,0,0]=4 15730 B10R1.4 CSCN1CCCCC1C 34a_100000211376_100011218213 [1,0,0,1,0,0|2,0,0]=4 15731 B10R1.4 [13CH3]N1CCCCC1CCO 2230a_100000211664_200025704644 [1,0,0,1,0,0|2,0,0]=4 15732 B10R1.4 [13CH3]N1CCCCC1CCO 269982a_100000211664_200025704644 [1,0,0,1,0,0|2,0,0]=4 15733 B10R1.4 [13CH3]N1CCCCC1CCO 34a_100000211664_200025704644 [1,0,0,1,0,0|2,0,0]=4 15734 B10R1.4 [13CH3]NCC1CCCCC1O 34a_100011216029_200025704644 [1,0,0,1,0,0|2,0,0]=4 15735 B10R1.5 CCC1CCCN1CCF 2230a_100000754278_100011217306 [1,0,0,1,0,0|2,0,0]=4 15736 B10R1.5 CCC1CCCN1CCF 269982a_100000754278_100011217306 [1,0,0,1,0,0|2,0,0]=4 15737 B10R1.5 CCC1CCCN1CCF 34a_100000754278_100011217306 [1,0,0,1,0,0|2,0,0]=4 15738 B10R1.5 CCC1CCCN1CCO 2230a_100000754278_100000211926 [1,0,0,1,0,0|2,0,0]=4 15739 B10R1.5 CCC1CCCN1CCO 269982a_100000754278_100000211926 [1,0,0,1,0,0|2,0,0]=4 15740 B10R1.5 CCC1CCCN1CCO 34a_100000754278_100000211926 [1,0,0,1,0,0|2,0,0]=4 15741 B10R1.5 CCC1CCCN1COC 2230a_100000754278_100000766300 [1,0,0,1,0,0|2,0,0]=4 15742 B10R1.5 CCC1CCCN1COC 269982a_100000754278_100000766300 [1,0,0,1,0,0|2,0,0]=4 15743 B10R1.5 CCC1CCCN1CSC 2230a_100000754278_100011218213 [1,0,0,1,0,0|2,0,0]=4 15744 B10R1.5 CCC1CCCN1CSC 269982a_100000754278_100011218213 [1,0,0,1,0,0|2,0,0]=4 15745 B10R1.5 CCC1CCCN1CSC 34a_100000754278_100011218213 [1,0,0,1,0,0|2,0,0]=4 15746 B10R1.5 CCCC1CCCC1NC 269862a_106832991636_100000723119 [1,0,0,1,0,0|1,0,0]=3 15747 B10R1.5 CCCC1CCCC1NC 270004a_106832991635_100000723119 [1,0,0,1,0,0|1,0,0]=3 15748 B10R1.5 CCCN1CCCC1CC 2230a_100000754278_100000210303 [1,0,0,1,0,0|1,0,0]=3 15749 B10R1.5 CCCN1CCCC1CC 269982a_100000754278_100000210303 [1,0,0,1,0,0|1,0,0]=3 15750 B10R1.5 CCCN1CCCC1CC 34a_100000754278_100000210303 [1,0,0,1,0,0|1,0,0]=3 15751 B10R1.5 CCCN1CCC[C@@H]1CO 2230a_100000745186_100000210303 [1,0,0,1,0,0|2,0,0]=4 15752 B10R1.5 CCCN1CCC[C@@H]1CO 269982a_100000745186_100000210303 [1,0,0,1,0,0|2,0,0]=4 15753 B10R1.5 CCCN1CCC[C@@H]1CO 34a_100000745186_100000210303 [1,0,0,1,0,0|2,0,0]=4 15754 B10R1.5 CCN1CCCC1CNC 2230a_100000211693_200000210301 [1,0,0,1,0,0|2,0,0]=4 15755 B10R1.5 CCN1CCCC1CN[13CH3] 2230a_100000211693_200025704644 [1,0,0,1,0,0|2,0,0]=4 15756 B10R1.5 CCN1CCC[C@@H]1COC 34a_100011739246_200000210301 [1,0,0,1,0,0|2,0,0]=4 15757 B10R1.5 CCN1CCC[C@@H]1COC 7a_100011739246_200000210301 [1,0,0,1,0,0|2,0,0]=4 15758 B10R1.5 CCN1CCC[C@@H]1CO[13CH3] 34a_100011739246_200025704644 [1,0,0,1,0,0|2,0,0]=4 15759 B10R1.5 CCN1CCC[C@@H]1CO[13CH3] 7a_100011739246_200025704644 [1,0,0,1,0,0|2,0,0]=4 15760 B10R1.5 CCN1CCC[C@H]1COC 2230a_100020646714_100000210202 [1,0,0,1,0,0|2,0,0]=4 15761 B10R1.5 CCN1CCC[C@H]1COC 269982a_100020646714_100000204670 [1,0,0,1,0,0|2,0,0]=4 15762 B10R1.5 CCN1CCC[C@H]1COC 34a_100020646714_100000210202 [1,0,0,1,0,0|2,0,0]=4 15763 B10R1.5 CCNC1CCCC1CC 269862a_100015525214_100000749056 [1,0,0,1,0,0|1,0,0]=3 15764 B10R1.5 CCNC1CCCC1CC 270004a_100015525214_100000749056 [1,0,0,1,0,0|1,0,0]=3 15765 B10R1.17 BrCCOC1CCCCC1 34a_100000211926_100000210327 [1,0,0,1,0,0|2,0,0]=4 15766 B10R1.17 CCCCN1CCCOC1 2230a_100000131196_100000210211 [1,0,0,1,0,0|2,0,0]=4 15767 B10R1.17 CCCCN1CCCOC1 269982a_100000131196_100000210211 [1,0,0,1,0,0|2,0,0]=4 15768 B10R1.17 CCCCN1CCCOC1 34a_100000131196_100000210210 [1,0,0,1,0,0|2,0,0]=4 15769 B10R1.17 CCCCN1CCOCC1 2230a_100015191051_100000210211 [1,0,0,1,0,0|2,0,0]=4 15770 B10R1.17 CCCCN1CCOCC1 269982a_100015191051_100000210211 [1,0,0,1,0,0|2,0,0]=4 15771 B10R1.17 CCCCN1CCOCC1 34a_100015191051_100000210210 [1,0,0,1,0,0|2,0,0]=4 15772 B10R1.17 CCCCN1CCSCC1 2230a_100000737611_100000210211 [1,0,0,1,0,0|2,0,0]=4 15773 B10R1.17 CCCCN1CCSCC1 269982a_100000737611_100000210211 [1,0,0,1,0,0|2,0,0]=4 15774 B10R1.17 CCCNC1CCCCC1 2230a_100000182618_100000210303 [1,0,0,1,0,0|1,0,0]=3 15775 B10R1.17 CCCNC1CCCCC1 270004a_100020643023_100000210434 [1,0,0,1,0,0|1,0,0]=3 15776 B10R1.17 CCCNC1CCCCC1 34a_100000182618_100000210303 [1,0,0,1,0,0|1,0,0]=3 15777 B10R1.17 CCCNC1CCCOC1 2230a_100000719290_100000210303 [1,0,0,1,0,0|2,0,0]=4 15778 B10R1.17 CCCNC1CCCOC1 270004a_100020643023_100000753404 [1,0,0,1,0,0|2,0,0]=4 15779 B10R1.17 CCCNC1CCCOC1 34a_100000719290_100000210303 [1,0,0,1,0,0|2,0,0]=4 15780 B10R1.17 CCCNC1CCCSC1 270004a_100020643023_100000057913 [1,0,0,1,0,0|2,0,0]=4 15781 B10R1.17 CCCNC1CCNCC1 270004a_100020643023_100015192401 [1,0,0,1,0,0|2,0,0]=4 15782 B10R1.17 CCCNC1CCOCC1 2230a_100000741149_100000210303 [1,0,0,1,0,0|2,0,0]=4 15783 B10R1.17 CCCNC1CCOCC1 270004a_100020643023_100011217826 [1,0,0,1,0,0|2,0,0]=4 15784 B10R1.17 CCCNC1CCOCC1 34a_100000741149_100000210303 [1,0,0,1,0,0|2,0,0]=4 15785 B10R1.17 CCCNC1CCSCC1 2230a_100000748639_100000210303 [1,0,0,1,0,0|2,0,0]=4 15786 B10R1.17 CCCNC1CCSCC1 270004a_100020643023_100000203788 [1,0,0,1,0,0|2,0,0]=4 15787 B10R1.17 CCCNC1CCSCC1 34a_100000748639_100000210303 [1,0,0,1,0,0|2,0,0]=4 15788 B10R1.17 CCCOC1CCCCC1 34a_100000210231_100000210303 [1,0,0,1,0,0|1,0,0]=3 15789 B10R1.17 CCCOC1CCCCC1 34a_100000210258_100000210327 [1,0,0,1,0,0|1,0,0]=3 15790 B10R1.17 CCCOC1CCCCC1 7a_100000210231_100000210303 [1,0,0,1,0,0|1,0,0]=3 15791 B10R1.17 CCCOC1CCCCO1 34a_100000033831_100000210303 [1,0,0,1,0,0|2,0,0]=4 15792 B10R1.17 CCCOC1CCCOC1 34a_100000210258_100000693364 [1,0,0,1,0,0|2,0,0]=4 15793 B10R1.17 CCCOC1CCCOC1 34a_100000754041_100000210303 [1,0,0,1,0,0|2,0,0]=4 15794 B10R1.17 CCCOC1CCCSC1 7a_100015962668_100000210303 [1,0,0,1,0,0|2,0,0]=4 15795 B10R1.17 CCCOC1CCOCC1 34a_100000744328_100000210303 [1,0,0,1,0,0|2,0,0]=4 15796 B10R1.17 CCCOC1CCSCC1 34a_100000210258_100000069128 [1,0,0,1,0,0|2,0,0]=4 15797 B10R1.17 CCCOC1CCSCC1 34a_100000731022_100000210303 [1,0,0,1,0,0|2,0,0]=4 15798 B10R1.17 CCCOC1CCSCC1 7a_100000731022_100000210303 [1,0,0,1,0,0|2,0,0]=4 15799 B10R1.17 CCCSC1CCCCC1 62a_100000210303_100000210327 [1,0,0,1,0,0|1,0,0]=3 15800 B10R1.17 CCCSC1CCCCC1 62a_100000210327_100000210303 [1,0,0,1,0,0|1,0,0]=3 15801 B10R1.17 CCCSC1CCCOC1 62a_100000210303_100000693364 [1,0,0,1,0,0|2,0,0]=4 15802 B10R1.17 CCCSC1CCOCC1 62a_100000210303_100011324220 [1,0,0,1,0,0|2,0,0]=4 15803 B10R1.17 CCCSC1CCSCC1 62a_100000210303_100000069128 [1,0,0,1,0,0|2,0,0]=4 15804 B10R1.17 CCNCC1CCCCC1 2230a_100000210473_100000210202 [1,0,0,1,0,0|1,0,0]=3 15805 B10R1.17 CCNCC1CCCCC1 2230a_100015525214_100000211423 [1,0,0,1,0,0|1,0,0]=3 15806 B10R1.17 CCNCC1CCCCC1 269862a_100015525214_100000211278 [1,0,0,1,0,0|1,0,0]=3 15807 B10R1.17 CCNCC1CCCCC1 34a_100000210473_100000210202 [1,0,0,1,0,0|1,0,0]=3 15808 B10R1.17 CCNCC1CCCCO1 2230a_100000174945_100000210202 [1,0,0,1,0,0|2,0,0]=4 15809 B10R1.17 CCNCC1CCCCO1 2230a_100015525214_100000211543 [1,0,0,1,0,0|2,0,0]=4 15810 B10R1.17 CCNCC1CCCCO1 34a_100000174945_100000210202 [1,0,0,1,0,0|2,0,0]=4 15811 B10R1.17 CCNCC1CCCOC1 2230a_100000720124_100000210202 [1,0,0,1,0,0|2,0,0]=4 15812 B10R1.17 CCNCC1CCCOC1 2230a_100015525214_100000741521 [1,0,0,1,0,0|2,0,0]=4 15813 B10R1.17 CCNCC1CCCOC1 34a_100000720124_100000210202 [1,0,0,1,0,0|2,0,0]=4 15814 B10R1.17 CCNCC1CCOCC1 2230a_100000746373_100000210202 [1,0,0,1,0,0|2,0,0]=4 15815 B10R1.17 CCNCC1CCOCC1 2230a_100015525214_100000754603 [1,0,0,1,0,0|2,0,0]=4 15816 B10R1.17 CCNCC1CCOCC1 269862a_100015525214_100000749017 [1,0,0,1,0,0|2,0,0]=4 15817 B10R1.17 CCNCC1CCOCC1 34a_100000746373_100000210202 [1,0,0,1,0,0|2,0,0]=4 15818 B10R1.17 CCNCC1CCSCC1 2230a_100015188806_100000210202 [1,0,0,1,0,0|2,0,0]=4 15819 B10R1.17 CCNCC1CCSCC1 269862a_100015525214_100000067145 [1,0,0,1,0,0|2,0,0]=4 15820 B10R1.17 CCNCC1CCSCC1 270004a_100015525214_100000067145 [1,0,0,1,0,0|2,0,0]=4 15821 B10R1.17 CCNCC1CCSCC1 34a_100015188806_100000210202 [1,0,0,1,0,0|2,0,0]=4 15822 B10R1.17 CCOCC1CCCCC1 34a_100000212181_100000210202 [1,0,0,1,0,0|1,0,0]=3 15823 B10R1.17 CCOCC1CCCCC1 34a_100121572206_100000211423 [1,0,0,1,0,0|1,0,0]=3 15824 B10R1.17 CCOCC1CCCCC1 7a_100000212181_100000210202 [1,0,0,1,0,0|1,0,0]=3 15825 B10R1.17 CCOCC1CCCCN1 34a_100000210821_100000210202 [1,0,0,1,0,0|2,0,0]=4 15826 B10R1.17 CCOCC1CCCCO1 34a_100000211370_100000210202 [1,0,0,1,0,0|2,0,0]=4 15827 B10R1.17 CCOCC1CCCCO1 34a_100121572206_100000211543 [1,0,0,1,0,0|2,0,0]=4 15828 B10R1.17 CCOCC1CCCCO1 7a_100000211370_100000210202 [1,0,0,1,0,0|2,0,0]=4 15829 B10R1.17 CCOCC1CCCNC1 34a_100000211344_100000210202 [1,0,0,1,0,0|2,0,0]=4 15830 B10R1.17 CCOCC1CCCOC1 34a_100000741520_100000210202 [1,0,0,1,0,0|2,0,0]=4 15831 B10R1.17 CCOCC1CCCOC1 34a_100121572206_100000741521 [1,0,0,1,0,0|2,0,0]=4 15832 B10R1.17 CCOCC1CCNCC1 34a_100000738675_100000210202 [1,0,0,1,0,0|2,0,0]=4 15833 B10R1.17 CCOCC1CCOCC1 34a_100000749013_100000210202 [1,0,0,1,0,0|2,0,0]=4 15834 B10R1.17 CCOCC1CCOCC1 34a_100121572206_100000754603 [1,0,0,1,0,0|2,0,0]=4 15835 B10R1.17 CCOCC1CCSCC1 34a_100000070558_100000210202 [1,0,0,1,0,0|2,0,0]=4 15836 B10R1.17 CCOCC1CCSCC1 7a_100000070558_100000210202 [1,0,0,1,0,0|2,0,0]=4 15837 B10R1.17 CCSCC1CCCCC1 62a_100000210202_100000211423 [1,0,0,1,0,0|1,0,0]=3 15838 B10R1.17 CCSCC1CCCCC1 62a_100000211423_100000210202 [1,0,0,1,0,0|1,0,0]=3 15839 B10R1.17 CCSCC1CCCCO1 62a_100000210202_100000211543 [1,0,0,1,0,0|2,0,0]=4 15840 B10R1.17 CCSCC1CCCCO1 62a_100000211543_100000210202 [1,0,0,1,0,0|2,0,0]=4 15841 B10R1.17 CCSCC1CCCOC1 62a_100000210202_100000741521 [1,0,0,1,0,0|2,0,0]=4 15842 B10R1.17 CCSCC1CCCOC1 62a_100000741521_100000210202 [1,0,0,1,0,0|2,0,0]=4 15843 B10R1.17 CCSCC1CCOCC1 62a_100000210202_100000749018 [1,0,0,1,0,0|2,0,0]=4 15844 B10R1.17 CCSCC1CCOCC1 62a_100000754603_100000210202 [1,0,0,1,0,0|2,0,0]=4 15845 B10R1.17 CNCCC1CCCCC1 2230a_100000738074_200000210301 [1,0,0,1,0,0|1,0,0]=3 15846 B10R1.17 CNCCC1CCCCC1 2230a_106832991635_100012355289 [1,0,0,1,0,0|1,0,0]=3 15847 B10R1.17 CNCCC1CCCCC1 270004a_106832991635_100011713444 [1,0,0,1,0,0|1,0,0]=3 15848 B10R1.17 CNCCC1CCCCC1 34a_100000738074_200000210301 [1,0,0,1,0,0|1,0,0]=3 15849 B10R1.17 CNCCC1CCCCC1 34a_100102657272_100011209188 [1,0,0,1,0,0|1,0,0]=3 15850 B10R1.17 CNCCC1CCCCC1 7a_106832991635_100011273959 [1,0,0,1,0,0|1,0,0]=3 15851 B10R1.17 CNCCC1CCCCO1 2230a_100015183643_200000210301 [1,0,0,1,0,0|2,0,0]=4 15852 B10R1.17 CNCCC1CCCCO1 34a_100015183643_200000210301 [1,0,0,1,0,0|2,0,0]=4 15853 B10R1.17 CNCCC1CCOCC1 2230a_100000755988_200000210301 [1,0,0,1,0,0|2,0,0]=4 15854 B10R1.17 CNCCC1CCOCC1 2230a_106832991635_100011934994 [1,0,0,1,0,0|2,0,0]=4 15855 B10R1.17 CNCCC1CCOCC1 34a_100000755988_200000210301 [1,0,0,1,0,0|2,0,0]=4 15856 B10R1.17 CNCCC1CCOCC1 34a_100102657272_100011934994 [1,0,0,1,0,0|2,0,0]=4 15857 B10R1.17 CNCCC1CCOCC1 7a_106832991635_100011934994 [1,0,0,1,0,0|2,0,0]=4 15858 B10R1.17 CNCCN1CCCCC1 2230a_106832991635_100000739454 [1,0,0,1,0,0|2,0,0]=4 15859 B10R1.17 CNCCN1CCCCC1 34a_100102657272_100000739454 [1,0,0,1,0,0|2,0,0]=4 15860 B10R1.17 CNCCN1CCCCC1 7a_106832991635_100000739454 [1,0,0,1,0,0|2,0,0]=4 15861 B10R1.17 CNCOC1CCCCC1 2230a_106832991635_100011935260 [1,0,0,1,0,0|2,0,0]=4 15862 B10R1.17 CNCOC1CCCCC1 34a_100102657272_100011935260 [1,0,0,1,0,0|2,0,0]=4 15863 B10R1.17 CNCOC1CCCCC1 7a_106832991635_100011935260 [1,0,0,1,0,0|2,0,0]=4 15864 B10R1.17 COCCC1CCCCC1 34a_100011217863_200000210301 [1,0,0,1,0,0|1,0,0]=3 15865 B10R1.17 COCCC1CCCCC1 34a_100138415774_100011209188 [1,0,0,1,0,0|1,0,0]=3 15866 B10R1.17 COCCC1CCCCC1 7a_100011217863_200000210301 [1,0,0,1,0,0|1,0,0]=3 15867 B10R1.17 COCCC1CCCCN1 34a_100000211664_200000210301 [1,0,0,1,0,0|2,0,0]=4 15868 B10R1.17 COCCC1CCCNC1 34a_100000752241_200000210301 [1,0,0,1,0,0|2,0,0]=4 15869 B10R1.17 COCCC1CCNCC1 34a_100015190746_200000210301 [1,0,0,1,0,0|2,0,0]=4 15870 B10R1.17 COCCC1CCOCC1 34a_100011933979_200000210301 [1,0,0,1,0,0|2,0,0]=4 15871 B10R1.17 COCCC1CCOCC1 34a_100138415774_100011934994 [1,0,0,1,0,0|2,0,0]=4 15872 B10R1.17 COCCC1CCOCC1 7a_100011933979_200000210301 [1,0,0,1,0,0|2,0,0]=4 15873 B10R1.17 COCCN1CCCCC1 34a_100138415774_100000739454 [1,0,0,1,0,0|2,0,0]=4 15874 B10R1.17 COCNC1CCCCC1 2230a_100000182618_100000766300 [1,0,0,1,0,0|2,0,0]=4 15875 B10R1.17 COCOC1CCCCC1 34a_100138415774_100011935260 [1,0,0,1,0,0|2,0,0]=4 15876 B10R1.17 COCSC1CCCCC1 62a_100000210327_100000766300 [1,0,0,1,0,0|2,0,0]=4 15877 B10R1.17 COCSC1CCCCC1 62a_100000766300_100000210327 [1,0,0,1,0,0|2,0,0]=4 15878 B10R1.17 CSCCC1CCCCC1 62a_100012355289_200000210301 [1,0,0,1,0,0|1,0,0]=3 15879 B10R1.17 CSCCC1CCCCC1 62a_200000210301_100012355289 [1,0,0,1,0,0|1,0,0]=3 15880 B10R1.17 CSCCC1CCOCC1 62a_100011934994_200000210301 [1,0,0,1,0,0|2,0,0]=4 15881 B10R1.17 CSCCC1CCOCC1 62a_200000210301_100011934994 [1,0,0,1,0,0|2,0,0]=4 15882 B10R1.17 CSCCN1CCCCC1 62a_100000739454_200000210301 [1,0,0,1,0,0|2,0,0]=4 15883 B10R1.17 CSCCN1CCCCC1 62a_200000210301_100000739454 [1,0,0,1,0,0|2,0,0]=4 15884 B10R1.17 CSCNC1CCCCC1 2230a_100000182618_100011218213 [1,0,0,1,0,0|2,0,0]=4 15885 B10R1.17 CSCNC1CCCCC1 34a_100000182618_100011218213 [1,0,0,1,0,0|2,0,0]=4 15886 B10R1.17 CSCOC1CCCCC1 34a_100000210231_100011218213 [1,0,0,1,0,0|2,0,0]=4 15887 B10R1.17 CSCOC1CCCCC1 62a_100011935260_200000210301 [1,0,0,1,0,0|2,0,0]=4 15888 B10R1.17 CSCOC1CCCCC1 62a_200000210301_100011935260 [1,0,0,1,0,0|2,0,0]=4 15889 B10R1.17 CSCSC1CCCCC1 62a_100000210327_100011218213 [1,0,0,1,0,0|2,0,0]=4 15890 B10R1.17 CSCSC1CCCCC1 62a_100011218213_100000210327 [1,0,0,1,0,0|2,0,0]=4 15891 B10R1.17 FCCNC1CCCCC1 2230a_100000182618_100011217306 [1,0,0,1,0,0|2,0,0]=4 15892 B10R1.17 FCCNC1CCCCC1 34a_100000182618_100011217306 [1,0,0,1,0,0|2,0,0]=4 15893 B10R1.17 FCCNC1CCCCC1 34a_100000724931_100000210327 [1,0,0,1,0,0|2,0,0]=4 15894 B10R1.17 FCCOC1CCCCC1 34a_100000210231_100011217306 [1,0,0,1,0,0|2,0,0]=4 15895 B10R1.17 FCCOC1CCCCC1 7a_100000210231_100011217306 [1,0,0,1,0,0|2,0,0]=4 15896 B10R1.17 FCCSC1CCCCC1 62a_100000210327_100011217306 [1,0,0,1,0,0|2,0,0]=4 15897 B10R1.17 FCCSC1CCCCC1 62a_100011217306_100000210327 [1,0,0,1,0,0|2,0,0]=4 15898 B10R1.17 FCNCC1CCCCC1 34a_100000210473_100015361967 [1,0,0,1,0,0|2,0,0]=4 15899 B10R1.17 FCOCC1CCCCC1 34a_100000212181_100015361967 [1,0,0,1,0,0|2,0,0]=4 15900 B10R1.17 FCOCC1CCCCC1 7a_100000212181_100015361967 [1,0,0,1,0,0|2,0,0]=4 15901 B10R1.17 FCSCC1CCCCC1 62a_100000211423_100015361967 [1,0,0,1,0,0|2,0,0]=4 15902 B10R1.17 FCSCC1CCCCC1 62a_100015361967_100000211423 [1,0,0,1,0,0|2,0,0]=4 15903 B10R1.17 NCCOC1CCCCC1 34a_100000210304_100000210327 [1,0,0,1,0,0|2,0,0]=4 15904 B10R1.17 OCCNC1CCCCC1 2230a_100000182618_100000211926 [1,0,0,1,0,0|2,0,0]=4 15905 B10R1.17 OCCNC1CCCCC1 270004a_100000210304_100000210434 [1,0,0,1,0,0|2,0,0]=4 15906 B10R1.17 OCCNC1CCCCC1 34a_100000182618_100000211926 [1,0,0,1,0,0|2,0,0]=4 15907 B10R1.17 OCCNC1CCCCC1 34a_100016990907_100000210327 [1,0,0,1,0,0|2,0,0]=4 15908 B10R1.17 OCCOC1CCCCC1 34a_100000210231_100000211926 [1,0,0,1,0,0|2,0,0]=4 15909 B10R1.17 OCCOC1CCCCC1 7a_100000210231_100000211926 [1,0,0,1,0,0|2,0,0]=4 15910 B10R1.17 OCCSC1CCCCC1 62a_100000210327_100000211926 [1,0,0,1,0,0|2,0,0]=4 15911 B10R1.17 OCCSC1CCCCC1 62a_100000211926_100000210327 [1,0,0,1,0,0|2,0,0]=4 15912 B10R1.17 [13CH3]NCCC1CCCCC1 2230a_100000738074_200025704644 [1,0,0,1,0,0|1,0,0]=3 15913 B10R1.17 [13CH3]NCCC1CCCCC1 34a_100000738074_200025704644 [1,0,0,1,0,0|1,0,0]=3 15914 B10R1.17 [13CH3]NCCC1CCCCO1 2230a_100015183643_200025704644 [1,0,0,1,0,0|2,0,0]=4 15915 B10R1.17 [13CH3]NCCC1CCCCO1 34a_100015183643_200025704644 [1,0,0,1,0,0|2,0,0]=4 15916 B10R1.17 [13CH3]NCCC1CCOCC1 2230a_100000755988_200025704644 [1,0,0,1,0,0|2,0,0]=4 15917 B10R1.17 [13CH3]NCCC1CCOCC1 34a_100000755988_200025704644 [1,0,0,1,0,0|2,0,0]=4 15918 B10R1.17 [13CH3]OCCC1CCCCC1 34a_100011217863_200025704644 [1,0,0,1,0,0|1,0,0]=3 15919 B10R1.17 [13CH3]OCCC1CCCCC1 7a_100011217863_200025704644 [1,0,0,1,0,0|1,0,0]=3 15920 B10R1.17 [13CH3]OCCC1CCCCN1 34a_100000211664_200025704644 [1,0,0,1,0,0|2,0,0]=4 15921 B10R1.17 [13CH3]OCCC1CCCNC1 34a_100000752241_200025704644 [1,0,0,1,0,0|2,0,0]=4 15922 B10R1.17 [13CH3]OCCC1CCNCC1 34a_100015190746_200025704644 [1,0,0,1,0,0|2,0,0]=4 15923 B10R1.17 [13CH3]OCCC1CCOCC1 34a_100011933979_200025704644 [1,0,0,1,0,0|2,0,0]=4 15924 B10R1.17 [13CH3]OCCC1CCOCC1 7a_100011933979_200025704644 [1,0,0,1,0,0|2,0,0]=4 15925 B10R1.17 [13CH3]SCCC1CCCCC1 62a_100012355289_200025704644 [1,0,0,1,0,0|1,0,0]=3 15926 B10R1.17 [13CH3]SCCC1CCCCC1 62a_200025704644_100012355289 [1,0,0,1,0,0|1,0,0]=3 15927 B10R1.17 [13CH3]SCCC1CCOCC1 62a_100011934994_200025704644 [1,0,0,1,0,0|2,0,0]=4 15928 B10R1.17 [13CH3]SCCC1CCOCC1 62a_200025704644_100011934994 [1,0,0,1,0,0|2,0,0]=4 15929 B10R1.17 [13CH3]SCCN1CCCCC1 62a_100000739454_200025704644 [1,0,0,1,0,0|2,0,0]=4 15930 B10R1.17 [13CH3]SCCN1CCCCC1 62a_200025704644_100000739454 [1,0,0,1,0,0|2,0,0]=4 15931 B10R1.17 [13CH3]SCOC1CCCCC1 62a_100011935260_200025704644 [1,0,0,1,0,0|2,0,0]=4 15932 B10R1.17 [13CH3]SCOC1CCCCC1 62a_200025704644_100011935260 [1,0,0,1,0,0|2,0,0]=4 15933 B10R1.20 CCC1CCCCC1NC 269862a_106832991636_100000757040 [1,0,0,1,0,0|1,0,0]=3 15934 B10R1.20 CCC1CCCCC1NC 270004a_106832991635_100000757040 [1,0,0,1,0,0|1,0,0]=3 15935 B10R1.20 CCC1CCCCC1OC 34a_100000210738_200000210301 [1,0,0,1,0,0|1,0,0]=3 15936 B10R1.20 CCC1CCCCC1OC 7a_100000210738_200000210301 [1,0,0,1,0,0|1,0,0]=3 15937 B10R1.20 CCC1CCCCC1O[13CH3] 34a_100000210738_200025704644 [1,0,0,1,0,0|1,0,0]=3 15938 B10R1.20 CCC1CCCCC1O[13CH3] 7a_100000210738_200025704644 [1,0,0,1,0,0|1,0,0]=3 15939 B10R1.20 CCC1CCCCN1CC 2230a_100000210034_100000210202 [1,0,0,1,0,0|1,0,0]=3 15940 B10R1.20 CCC1CCCCN1CC 269982a_100000210034_100000204670 [1,0,0,1,0,0|1,0,0]=3 15941 B10R1.20 CCC1CCCCN1CC 34a_100000210034_100000210202 [1,0,0,1,0,0|1,0,0]=3 15942 B10R1.20 CCC1CCCCN1CF 269982a_100000210034_100015361967 [1,0,0,1,0,0|2,0,0]=4 15943 B10R1.20 CCC1CCCCN1CF 34a_100000210034_100015361967 [1,0,0,1,0,0|2,0,0]=4 15944 B10R1.20 CCN1CCCCC1CO 2230a_100000210821_100000210202 [1,0,0,1,0,0|2,0,0]=4 15945 B10R1.20 CCN1CCCCC1CO 269982a_100000210821_100000204670 [1,0,0,1,0,0|2,0,0]=4 15946 B10R1.20 CCN1CCCCC1CO 34a_100000210821_100000210202 [1,0,0,1,0,0|2,0,0]=4 15947 B10R1.20 CC[C@H]1COCCN1CC 2230a_100016988097_100000210202 [1,0,0,1,0,0|2,0,0]=4 15948 B10R1.20 CC[C@H]1COCCN1CC 269982a_100016988097_100000204670 [1,0,0,1,0,0|2,0,0]=4 15949 B10R1.20 CC[C@H]1COCCN1CC 34a_100016988097_100000210202 [1,0,0,1,0,0|2,0,0]=4 15950 B10R1.20 CNC1CCCCC1CO 270004a_106832991635_100009861125 [1,0,0,1,0,0|2,0,0]=4 15951 B10R1.20 CNC1CCCCC1OC 270004a_106832991635_100000740605 [1,0,0,1,0,0|2,0,0]=4 15952 B10R1.20 CNC1CCCCC1OC 34a_100011208099_200000210301 [1,0,0,1,0,0|2,0,0]=4 15953 B10R1.20 CN[C@@H]1CCCC[C@H]1OC 34a_100000708425_200000210301 [1,0,0,1,0,0|2,0,0]=4 15954 B10R1.20 CN[C@@H]1CCCC[C@H]1O[13CH3] 34a_100000708425_200025704644 [1,0,0,1,0,0|2,0,0]=4 15955 B10R1.20 COC1CCCCC1CN 34a_100011216029_200000210301 [1,0,0,1,0,0|2,0,0]=4 15956 B10R1.20 COC1CCCCC1N[13CH3] 34a_100011208099_200025704644 [1,0,0,1,0,0|2,0,0]=4 15957 B10R1.20 CO[C@H]1CCCC[C@@H]1OC 34a_200009815850_200000210301 [1,0,0,1,0,0|2,0,0]=4 15958 B10R1.20 CO[C@H]1CCCC[C@@H]1OC 7a_200009815850_200000210301 [1,0,0,1,0,0|2,0,0]=4 15959 B10R1.20 CO[C@H]1CCCC[C@@H]1O[13CH3] 34a_200009815850_200025704644 [1,0,0,1,0,0|2,0,0]=4 15960 B10R1.20 CO[C@H]1CCCC[C@@H]1O[13CH3] 7a_200009815850_200025704644 [1,0,0,1,0,0|2,0,0]=4 15961 B10R1.20 [13CH3]OC1CCCCC1CN 34a_100011216029_200025704644 [1,0,0,1,0,0|2,0,0]=4 15962 B10R1.21 BrCCCOC1CCCC1 34a_100011217188_100000179811 [1,0,0,1,0,0|2,0,0]=4 15963 B10R1.21 BrCCOCC1CCCC1 34a_100000211926_100000740388 [1,0,0,1,0,0|2,0,0]=4 15964 B10R1.21 CCCCCN1CCCC1 2230a_100000188435_100000210326 [1,0,0,1,0,0|1,0,0]=3 15965 B10R1.21 CCCCCN1CCCC1 269982a_100000188435_100000210215 [1,0,0,1,0,0|1,0,0]=3 15966 B10R1.21 CCCCCN1CCSC1 2230a_100011215254_100000210326 [1,0,0,1,0,0|2,0,0]=4 15967 B10R1.21 CCCCCN1CCSC1 269982a_100011215254_100000210215 [1,0,0,1,0,0|2,0,0]=4 15968 B10R1.21 CCCCNC1CCCC1 2230a_100000102301_100000179811 [1,0,0,1,0,0|1,0,0]=3 15969 B10R1.21 CCCCNC1CCCC1 2230a_100000211070_100000210211 [1,0,0,1,0,0|1,0,0]=3 15970 B10R1.21 CCCCNC1CCCC1 270004a_100000102301_100000210133 [1,0,0,1,0,0|1,0,0]=3 15971 B10R1.21 CCCCNC1CCCC1 34a_100000211070_100000210210 [1,0,0,1,0,0|1,0,0]=3 15972 B10R1.21 CCCCNC1CCCC1 7a_106832991798_100000179811 [1,0,0,1,0,0|1,0,0]=3 15973 B10R1.21 CCCCNC1CCOC1 2230a_100000102301_100000731011 [1,0,0,1,0,0|2,0,0]=4 15974 B10R1.21 CCCCNC1CCOC1 270004a_100000102301_100000752484 [1,0,0,1,0,0|2,0,0]=4 15975 B10R1.21 CCCCNC1CCOC1 7a_106832991798_100000731011 [1,0,0,1,0,0|2,0,0]=4 15976 B10R1.21 CCCCNC1CCSC1 270004a_100000102301_100000212027 [1,0,0,1,0,0|2,0,0]=4 15977 B10R1.21 CCCCN[C@@H]1CCOC1 2230a_200015188469_100000210211 [1,0,0,1,0,0|2,0,0]=4 15978 B10R1.21 CCCCN[C@H]1CCOC1 2230a_100015188467_100000210211 [1,0,0,1,0,0|2,0,0]=4 15979 B10R1.21 CCCCN[C@H]1CCOC1 34a_100015188467_100000210210 [1,0,0,1,0,0|2,0,0]=4 15980 B10R1.21 CCCCOC1CCCC1 34a_100000210227_100000179811 [1,0,0,1,0,0|1,0,0]=3 15981 B10R1.21 CCCCOC1CCCC1 34a_100000210269_100000210210 [1,0,0,1,0,0|1,0,0]=3 15982 B10R1.21 CCCCOC1CCCC1 7a_100000210227_100000179811 [1,0,0,1,0,0|1,0,0]=3 15983 B10R1.21 CCCCOC1CCCC1 7a_100000210269_100000210211 [1,0,0,1,0,0|1,0,0]=3 15984 B10R1.21 CCCCOC1CCCO1 34a_100000085407_100000210210 [1,0,0,1,0,0|2,0,0]=4 15985 B10R1.21 CCCCOC1CCOC1 34a_100000210227_100000690089 [1,0,0,1,0,0|2,0,0]=4 15986 B10R1.21 CCCCOC1CCOC1 7a_100000210227_100000731011 [1,0,0,1,0,0|2,0,0]=4 15987 B10R1.21 CCCCOC1CCSC1 7a_100011232664_100000210211 [1,0,0,1,0,0|2,0,0]=4 15988 B10R1.21 CCCCO[C@H]1CCOC1 34a_100000717292_100000210210 [1,0,0,1,0,0|2,0,0]=4 15989 B10R1.21 CCCCSC1CCCC1 62a_100000210211_100000179811 [1,0,0,1,0,0|1,0,0]=3 15990 B10R1.21 CCCCSC1CCCC1 62a_100011217020_100000210210 [1,0,0,1,0,0|1,0,0]=3 15991 B10R1.21 CCCCSC1CCOC1 62a_100000210211_100000690089 [1,0,0,1,0,0|2,0,0]=4 15992 B10R1.21 CCCNCC1CCCC1 2230a_100000737975_100000210303 [1,0,0,1,0,0|1,0,0]=3 15993 B10R1.21 CCCNCC1CCCC1 269862a_100020643023_100000746403 [1,0,0,1,0,0|1,0,0]=3 15994 B10R1.21 CCCNCC1CCCC1 34a_100000737975_100000210303 [1,0,0,1,0,0|1,0,0]=3 15995 B10R1.21 CCCNCC1CCOC1 2230a_100000737293_100000210303 [1,0,0,1,0,0|2,0,0]=4 15996 B10R1.21 CCCNCC1CCOC1 34a_100000737293_100000210303 [1,0,0,1,0,0|2,0,0]=4 15997 B10R1.21 CCCNC[C@@H]1CCCO1 2230a_100020590478_100000210303 [1,0,0,1,0,0|2,0,0]=4 15998 B10R1.21 CCCNC[C@@H]1CCCO1 34a_100020590478_100000210303 [1,0,0,1,0,0|2,0,0]=4 15999 B10R1.21 CCCOCC1CCCC1 34a_100000210258_100000740388 [1,0,0,1,0,0|1,0,0]=3 16000 B10R1.21 CCCOCC1CCCC1 34a_100000742336_100000210303 [1,0,0,1,0,0|1,0,0]=3 16001 B10R1.21 CCCOCC1CCCC1 7a_100000742336_100000210303 [1,0,0,1,0,0|1,0,0]=3 16002 B10R1.21 CCCOCC1CCCO1 34a_100000210270_100000210303 [1,0,0,1,0,0|2,0,0]=4 16003 B10R1.21 CCCOCC1CCCO1 7a_100000210270_100000210303 [1,0,0,1,0,0|2,0,0]=4 16004 B10R1.21 CCCOCC1CCNC1 34a_100000748654_100000210303 [1,0,0,1,0,0|2,0,0]=4 16005 B10R1.21 CCCOCC1CCOC1 34a_100000210258_100011261433 [1,0,0,1,0,0|2,0,0]=4 16006 B10R1.21 CCCOCC1CCOC1 34a_100000740260_100000210303 [1,0,0,1,0,0|2,0,0]=4 16007 B10R1.21 CCCOC[C@H]1CCCN1 34a_100000745186_100000210303 [1,0,0,1,0,0|2,0,0]=4 16008 B10R1.21 CCCSCC1CCCC1 62a_100000210303_100000740388 [1,0,0,1,0,0|1,0,0]=3 16009 B10R1.21 CCCSCC1CCCC1 62a_100000740388_100000210303 [1,0,0,1,0,0|1,0,0]=3 16010 B10R1.21 CCCSCC1CCCO1 62a_100000203698_100000210303 [1,0,0,1,0,0|2,0,0]=4 16011 B10R1.21 CCCSCC1CCCO1 62a_100000210303_100000203698 [1,0,0,1,0,0|2,0,0]=4 16012 B10R1.21 CCCSCC1CCOC1 62a_100000210303_100000702531 [1,0,0,1,0,0|2,0,0]=4 16013 B10R1.21 CCCSCC1CCOC1 62a_100000702531_100000210303 [1,0,0,1,0,0|2,0,0]=4 16014 B10R1.21 CCNCCC1CCCC1 2230a_100000739158_100000210202 [1,0,0,1,0,0|1,0,0]=3 16015 B10R1.21 CCNCCC1CCCC1 2230a_100015525214_100000760354 [1,0,0,1,0,0|1,0,0]=3 16016 B10R1.21 CCNCCC1CCCC1 34a_100000739158_100000210202 [1,0,0,1,0,0|1,0,0]=3 16017 B10R1.21 CCOCCC1CCCC1 34a_100000749090_100000210202 [1,0,0,1,0,0|1,0,0]=3 16018 B10R1.21 CCOCCC1CCCC1 34a_100121572206_100000760354 [1,0,0,1,0,0|1,0,0]=3 16019 B10R1.21 CCOCCC1CCCC1 7a_100000749090_100000210202 [1,0,0,1,0,0|1,0,0]=3 16020 B10R1.21 CCOCCC1CCNC1 34a_100016987287_100000210202 [1,0,0,1,0,0|2,0,0]=4 16021 B10R1.21 CCOCCC1CCOC1 34a_100011879284_100000210202 [1,0,0,1,0,0|2,0,0]=4 16022 B10R1.21 CCOCCN1CCCC1 2230a_100000188435_100011215890 [1,0,0,1,0,0|2,0,0]=4 16023 B10R1.21 CCOCCN1CCCC1 269982a_100000188435_100011215890 [1,0,0,1,0,0|2,0,0]=4 16024 B10R1.21 CCOCSC1CCCC1 62a_100000739092_100000179811 [1,0,0,1,0,0|2,0,0]=4 16025 B10R1.21 CCOCSC1CCCC1 62a_100011217020_100000739092 [1,0,0,1,0,0|2,0,0]=4 16026 B10R1.21 CCSCCC1CCCC1 62a_100000210202_100000760354 [1,0,0,1,0,0|1,0,0]=3 16027 B10R1.21 CCSCCC1CCCC1 62a_100000760354_100000210202 [1,0,0,1,0,0|1,0,0]=3 16028 B10R1.21 CCSCCN1CCCC1 2230a_100000188435_100000757381 [1,0,0,1,0,0|2,0,0]=4 16029 B10R1.21 CCSCCN1CCCC1 269982a_100000188435_100000757381 [1,0,0,1,0,0|2,0,0]=4 16030 B10R1.21 CCSCCN1CCCC1 62a_100000210202_100000004467 [1,0,0,1,0,0|2,0,0]=4 16031 B10R1.21 CCSCCN1CCCC1 62a_100000700749_100000210202 [1,0,0,1,0,0|2,0,0]=4 16032 B10R1.21 CNCCCC1CCCC1 2230a_100000736752_200000210301 [1,0,0,1,0,0|1,0,0]=3 16033 B10R1.21 CNCCCC1CCCC1 2230a_106832991635_100011713738 [1,0,0,1,0,0|1,0,0]=3 16034 B10R1.21 CNCCCC1CCCC1 34a_100000736752_200000210301 [1,0,0,1,0,0|1,0,0]=3 16035 B10R1.21 CNCCCC1CCCC1 34a_100102657272_100011713738 [1,0,0,1,0,0|1,0,0]=3 16036 B10R1.21 CNCCCC1CCCC1 7a_106832991635_100011713738 [1,0,0,1,0,0|1,0,0]=3 16037 B10R1.21 CNCCCN1CCCC1 2230a_106832991635_100011445909 [1,0,0,1,0,0|2,0,0]=4 16038 B10R1.21 CNCCCN1CCCC1 34a_100102657272_100016991639 [1,0,0,1,0,0|2,0,0]=4 16039 B10R1.21 CNCCCN1CCCC1 7a_106832991635_100011445909 [1,0,0,1,0,0|2,0,0]=4 16040 B10R1.21 CNCCOC1CCCC1 34a_100000741755_200000210301 [1,0,0,1,0,0|2,0,0]=4 16041 B10R1.21 COCCCC1CCCC1 34a_100011215328_200000210301 [1,0,0,1,0,0|1,0,0]=3 16042 B10R1.21 COCCCC1CCCC1 34a_100138415774_100011713738 [1,0,0,1,0,0|1,0,0]=3 16043 B10R1.21 COCCCC1CCCC1 7a_100011215328_200000210301 [1,0,0,1,0,0|1,0,0]=3 16044 B10R1.21 COCCCN1CCCC1 2230a_100000188435_100000740836 [1,0,0,1,0,0|2,0,0]=4 16045 B10R1.21 COCCCN1CCCC1 269982a_100000188435_100000740836 [1,0,0,1,0,0|2,0,0]=4 16046 B10R1.21 COCCCN1CCCC1 34a_100138415774_100016991639 [1,0,0,1,0,0|2,0,0]=4 16047 B10R1.21 COCCNC1CCCC1 2230a_100000209980_100000179811 [1,0,0,1,0,0|2,0,0]=4 16048 B10R1.21 COCCNC1CCCC1 2230a_100000211070_100011201679 [1,0,0,1,0,0|2,0,0]=4 16049 B10R1.21 COCCNC1CCCC1 270004a_100000209980_100000210133 [1,0,0,1,0,0|2,0,0]=4 16050 B10R1.21 COCCNC1CCCC1 34a_100000211070_100011201679 [1,0,0,1,0,0|2,0,0]=4 16051 B10R1.21 COCCNC1CCCC1 34a_200000200444_200000210301 [1,0,0,1,0,0|2,0,0]=4 16052 B10R1.21 COCCOC1CCCC1 34a_100000210237_100000179811 [1,0,0,1,0,0|2,0,0]=4 16053 B10R1.21 COCCOC1CCCC1 34a_100000210269_100011201679 [1,0,0,1,0,0|2,0,0]=4 16054 B10R1.21 COCCOC1CCCC1 34a_100000738311_200000210301 [1,0,0,1,0,0|2,0,0]=4 16055 B10R1.21 COCCOC1CCCC1 7a_100000210269_100000233755 [1,0,0,1,0,0|2,0,0]=4 16056 B10R1.21 COCCOC1CCCC1 7a_100000738311_200000210301 [1,0,0,1,0,0|2,0,0]=4 16057 B10R1.21 COCCSC1CCCC1 62a_100000233755_100000179811 [1,0,0,1,0,0|2,0,0]=4 16058 B10R1.21 COCCSC1CCCC1 62a_100011217020_100000233755 [1,0,0,1,0,0|2,0,0]=4 16059 B10R1.21 COCNCC1CCCC1 2230a_100000737975_100000766300 [1,0,0,1,0,0|2,0,0]=4 16060 B10R1.21 COCSCC1CCCC1 62a_100000740388_100000766300 [1,0,0,1,0,0|2,0,0]=4 16061 B10R1.21 COCSCC1CCCC1 62a_100000766300_100000740388 [1,0,0,1,0,0|2,0,0]=4 16062 B10R1.21 CSCCCC1CCCC1 62a_100011713738_200000210301 [1,0,0,1,0,0|1,0,0]=3 16063 B10R1.21 CSCCCC1CCCC1 62a_200000210301_100011713738 [1,0,0,1,0,0|1,0,0]=3 16064 B10R1.21 CSCCCN1CCCC1 62a_100016991639_200000210301 [1,0,0,1,0,0|2,0,0]=4 16065 B10R1.21 CSCCCN1CCCC1 62a_200000210301_100011445909 [1,0,0,1,0,0|2,0,0]=4 16066 B10R1.21 CSCCNC1CCCC1 2230a_100000211070_100000751147 [1,0,0,1,0,0|2,0,0]=4 16067 B10R1.21 CSCCNC1CCCC1 2230a_100020590264_100000179811 [1,0,0,1,0,0|2,0,0]=4 16068 B10R1.21 CSCCNC1CCCC1 270004a_100020590264_100000210133 [1,0,0,1,0,0|2,0,0]=4 16069 B10R1.21 CSCCNC1CCCC1 34a_100000211070_100000212216 [1,0,0,1,0,0|2,0,0]=4 16070 B10R1.21 CSCCOC1CCCC1 34a_100000210269_100000212216 [1,0,0,1,0,0|2,0,0]=4 16071 B10R1.21 CSCCOC1CCCC1 34a_100000230434_100000179811 [1,0,0,1,0,0|2,0,0]=4 16072 B10R1.21 CSCCOC1CCCC1 7a_100000210269_100000212216 [1,0,0,1,0,0|2,0,0]=4 16073 B10R1.21 CSCCOC1CCCC1 7a_100000230434_100000179811 [1,0,0,1,0,0|2,0,0]=4 16074 B10R1.21 CSCCSC1CCCC1 62a_100000212216_100000179811 [1,0,0,1,0,0|2,0,0]=4 16075 B10R1.21 CSCCSC1CCCC1 62a_100011217020_100000751147 [1,0,0,1,0,0|2,0,0]=4 16076 B10R1.21 CSCNCC1CCCC1 2230a_100000737975_100011218213 [1,0,0,1,0,0|2,0,0]=4 16077 B10R1.21 CSCNCC1CCCC1 34a_100000737975_100011218213 [1,0,0,1,0,0|2,0,0]=4 16078 B10R1.21 CSCOCC1CCCC1 34a_100000742336_100011218213 [1,0,0,1,0,0|2,0,0]=4 16079 B10R1.21 CSCSCC1CCCC1 62a_100000740388_100011218213 [1,0,0,1,0,0|2,0,0]=4 16080 B10R1.21 CSCSCC1CCCC1 62a_100011218213_100000740388 [1,0,0,1,0,0|2,0,0]=4 16081 B10R1.21 ClCCCOC1CCCC1 34a_100000230001_100000179811 [1,0,0,1,0,0|2,0,0]=4 16082 B10R1.21 FCCCCN1CCCC1 2230a_100000188435_100000729493 [1,0,0,1,0,0|2,0,0]=4 16083 B10R1.21 FCCCCN1CCCC1 269982a_100000188435_100000729493 [1,0,0,1,0,0|2,0,0]=4 16084 B10R1.21 FCCCNC1CCCC1 2230a_100000211070_100011934791 [1,0,0,1,0,0|2,0,0]=4 16085 B10R1.21 FCCCNC1CCCC1 2230a_100015189416_100000179811 [1,0,0,1,0,0|2,0,0]=4 16086 B10R1.21 FCCCNC1CCCC1 270004a_100015189416_100000210133 [1,0,0,1,0,0|2,0,0]=4 16087 B10R1.21 FCCCNC1CCCC1 34a_100000211070_100011934791 [1,0,0,1,0,0|2,0,0]=4 16088 B10R1.21 FCCCNC1CCCC1 34a_100015189416_100000179811 [1,0,0,1,0,0|2,0,0]=4 16089 B10R1.21 FCCCOC1CCCC1 34a_100000210269_100011934791 [1,0,0,1,0,0|2,0,0]=4 16090 B10R1.21 FCCCOC1CCCC1 34a_100000759539_100000179811 [1,0,0,1,0,0|2,0,0]=4 16091 B10R1.21 FCCCOC1CCCC1 7a_100000210269_100011934791 [1,0,0,1,0,0|2,0,0]=4 16092 B10R1.21 FCCCSC1CCCC1 62a_100011217020_100011934791 [1,0,0,1,0,0|2,0,0]=4 16093 B10R1.21 FCCCSC1CCCC1 62a_100011934791_100000179811 [1,0,0,1,0,0|2,0,0]=4 16094 B10R1.21 FCCNCC1CCCC1 2230a_100000737975_100011217306 [1,0,0,1,0,0|2,0,0]=4 16095 B10R1.21 FCCNCC1CCCC1 269862a_100000724931_100000746403 [1,0,0,1,0,0|2,0,0]=4 16096 B10R1.21 FCCNCC1CCCC1 34a_100000724931_100000740388 [1,0,0,1,0,0|2,0,0]=4 16097 B10R1.21 FCCNCC1CCCC1 34a_100000737975_100011217306 [1,0,0,1,0,0|2,0,0]=4 16098 B10R1.21 FCCOCC1CCCC1 34a_100000742336_100011217306 [1,0,0,1,0,0|2,0,0]=4 16099 B10R1.21 FCCOCC1CCCC1 7a_100000742336_100011217306 [1,0,0,1,0,0|2,0,0]=4 16100 B10R1.21 FCCSCC1CCCC1 62a_100000740388_100011217306 [1,0,0,1,0,0|2,0,0]=4 16101 B10R1.21 FCCSCC1CCCC1 62a_100011217306_100000740388 [1,0,0,1,0,0|2,0,0]=4 16102 B10R1.21 FCNCCC1CCCC1 34a_100000739158_100015361967 [1,0,0,1,0,0|2,0,0]=4 16103 B10R1.21 FCOCCC1CCCC1 34a_100000749090_100015361967 [1,0,0,1,0,0|2,0,0]=4 16104 B10R1.21 FCOCCC1CCCC1 7a_100000749090_100015361967 [1,0,0,1,0,0|2,0,0]=4 16105 B10R1.21 FCSCCC1CCCC1 62a_100000760354_100015361967 [1,0,0,1,0,0|2,0,0]=4 16106 B10R1.21 FCSCCC1CCCC1 62a_100015361967_100000760354 [1,0,0,1,0,0|2,0,0]=4 16107 B10R1.21 NCCCOC1CCCC1 34a_100000182051_100000179811 [1,0,0,1,0,0|2,0,0]=4 16108 B10R1.21 NCCOCC1CCCC1 34a_100000210304_100000740388 [1,0,0,1,0,0|2,0,0]=4 16109 B10R1.21 OCCCCN1CCCC1 2230a_100000188435_100000210776 [1,0,0,1,0,0|2,0,0]=4 16110 B10R1.21 OCCCCN1CCCC1 269982a_100000188435_100000210776 [1,0,0,1,0,0|2,0,0]=4 16111 B10R1.21 OCCCNC1CCCC1 2230a_100000211070_100000230001 [1,0,0,1,0,0|2,0,0]=4 16112 B10R1.21 OCCCNC1CCCC1 270004a_100000182051_100000210133 [1,0,0,1,0,0|2,0,0]=4 16113 B10R1.21 OCCCNC1CCCC1 34a_100000211070_100000230001 [1,0,0,1,0,0|2,0,0]=4 16114 B10R1.21 OCCCOC1CCCC1 34a_100000210269_100000230001 [1,0,0,1,0,0|2,0,0]=4 16115 B10R1.21 OCCCOC1CCCC1 7a_100000210269_100011215043 [1,0,0,1,0,0|2,0,0]=4 16116 B10R1.21 OCCCSC1CCCC1 62a_100011215043_100000179811 [1,0,0,1,0,0|2,0,0]=4 16117 B10R1.21 OCCCSC1CCCC1 62a_100011217020_100011215043 [1,0,0,1,0,0|2,0,0]=4 16118 B10R1.21 OCCNCC1CCCC1 2230a_100000737975_100000211926 [1,0,0,1,0,0|2,0,0]=4 16119 B10R1.21 OCCNCC1CCCC1 2230a_100016997473_100000740388 [1,0,0,1,0,0|2,0,0]=4 16120 B10R1.21 OCCNCC1CCCC1 269862a_100000210304_100000746403 [1,0,0,1,0,0|2,0,0]=4 16121 B10R1.21 OCCNCC1CCCC1 34a_100000737975_100000211926 [1,0,0,1,0,0|2,0,0]=4 16122 B10R1.21 OCCNCC1CCCC1 34a_100016990907_100000740388 [1,0,0,1,0,0|2,0,0]=4 16123 B10R1.21 OCCOCC1CCCC1 34a_100000742336_100000211926 [1,0,0,1,0,0|2,0,0]=4 16124 B10R1.21 OCCOCC1CCCC1 7a_100000742336_100000211926 [1,0,0,1,0,0|2,0,0]=4 16125 B10R1.21 OCCSCC1CCCC1 62a_100000211926_100000740388 [1,0,0,1,0,0|2,0,0]=4 16126 B10R1.21 OCCSCC1CCCC1 62a_100000740388_100000211926 [1,0,0,1,0,0|2,0,0]=4 16127 B10R1.21 [13CH3]NCCCC1CCCC1 2230a_100000736752_200025704644 [1,0,0,1,0,0|1,0,0]=3 16128 B10R1.21 [13CH3]NCCCC1CCCC1 34a_100000736752_200025704644 [1,0,0,1,0,0|1,0,0]=3 16129 B10R1.21 [13CH3]NCCOC1CCCC1 34a_100000741755_200025704644 [1,0,0,1,0,0|2,0,0]=4 16130 B10R1.21 [13CH3]OCCCC1CCCC1 34a_100011215328_200025704644 [1,0,0,1,0,0|1,0,0]=3 16131 B10R1.21 [13CH3]OCCCC1CCCC1 7a_100011215328_200025704644 [1,0,0,1,0,0|1,0,0]=3 16132 B10R1.21 [13CH3]OCCNC1CCCC1 34a_200000200444_200025704644 [1,0,0,1,0,0|2,0,0]=4 16133 B10R1.21 [13CH3]OCCOC1CCCC1 34a_100000738311_200025704644 [1,0,0,1,0,0|2,0,0]=4 16134 B10R1.21 [13CH3]OCCOC1CCCC1 7a_100000738311_200025704644 [1,0,0,1,0,0|2,0,0]=4 16135 B10R1.21 [13CH3]SCCCC1CCCC1 62a_100011713738_200025704644 [1,0,0,1,0,0|1,0,0]=3 16136 B10R1.21 [13CH3]SCCCC1CCCC1 62a_200025704644_100011713738 [1,0,0,1,0,0|1,0,0]=3 16137 B10R1.21 [13CH3]SCCCN1CCCC1 62a_100016991639_200025704644 [1,0,0,1,0,0|2,0,0]=4 16138 B10R1.21 [13CH3]SCCCN1CCCC1 62a_200025704644_100011445909 [1,0,0,1,0,0|2,0,0]=4 16139 B10R1.29 CC1CCCC1NCCF 269862a_100000724931_100000752053 [1,0,0,1,0,0|2,0,0]=4 16140 B10R1.29 CC1CCCC1NCCO 269862a_100000210304_100000752053 [1,0,0,1,0,0|2,0,0]=4 16141 B10R1.29 CC1CCCC1OCCF 34a_100011216460_100011217306 [1,0,0,1,0,0|2,0,0]=4 16142 B10R1.29 CC1CCCC1OCCF 7a_100011216460_100011217306 [1,0,0,1,0,0|2,0,0]=4 16143 B10R1.29 CC1CCCC1OCCO 34a_100011216460_100000211926 [1,0,0,1,0,0|2,0,0]=4 16144 B10R1.29 CC1CCCC1OCCO 7a_100011216460_100000211926 [1,0,0,1,0,0|2,0,0]=4 16145 B10R1.29 CCCCN1CCC[C@@H]1C 2230a_100020605311_100000210211 [1,0,0,1,0,0|1,0,0]=3 16146 B10R1.29 CCCCN1CCC[C@@H]1C 269982a_100020605311_100000210211 [1,0,0,1,0,0|1,0,0]=3 16147 B10R1.29 CCCCN1CCC[C@H]1C 2230a_100015189458_100000210211 [1,0,0,1,0,0|1,0,0]=3 16148 B10R1.29 CCCCN1CCC[C@H]1C 269982a_100015189458_100000210211 [1,0,0,1,0,0|1,0,0]=3 16149 B10R1.29 CCCCN1CCC[C@H]1C 34a_100015189458_100000210210 [1,0,0,1,0,0|1,0,0]=3 16150 B10R1.29 CCCCN1CCSC1C 2230a_200011216479_100000210211 [1,0,0,1,0,0|2,0,0]=4 16151 B10R1.29 CCCCN1CCSC1C 269982a_200011216479_100000210211 [1,0,0,1,0,0|2,0,0]=4 16152 B10R1.29 CCCCN1CCSC1C 34a_200011216479_100000210210 [1,0,0,1,0,0|2,0,0]=4 16153 B10R1.29 CCCNC1CCCC1C 269862a_100020643023_100000752053 [1,0,0,1,0,0|1,0,0]=3 16154 B10R1.29 CCCNC1CCOC1C 270004a_100020643023_100000691750 [1,0,0,1,0,0|2,0,0]=4 16155 B10R1.29 CCCOC1CCCC1C 34a_100011216460_100000210303 [1,0,0,1,0,0|1,0,0]=3 16156 B10R1.29 CCCOC1CCCC1C 7a_100011216460_100000210303 [1,0,0,1,0,0|1,0,0]=3 16157 B10R1.29 CCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210303 [1,0,0,1,0,0|2,0,0]=4 16158 B10R1.29 CCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210303 [1,0,0,1,0,0|2,0,0]=4 16159 B10R1.29 CCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000210303 [1,0,0,1,0,0|2,0,0]=4 16160 B10R1.29 CCCS[C@@H]1CCC[C@H]1O 62a_100000210303_200016002552 [1,0,0,1,0,0|2,0,0]=4 16161 B10R1.29 CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210303 [1,0,0,1,0,0|2,0,0]=4 16162 B10R1.29 CCOCC1CCCN1C 34a_100000743107_100000210202 [1,0,0,1,0,0|2,0,0]=4 16163 B10R1.29 CCOCN1CCC[C@@H]1C 269982a_100020605311_100000739092 [1,0,0,1,0,0|2,0,0]=4 16164 B10R1.29 CCOCN1CCC[C@H]1C 269982a_100015189458_100000739092 [1,0,0,1,0,0|2,0,0]=4 16165 B10R1.29 CN1CCCC1CCO[13CH3] 34a_100011215177_200025704644 [1,0,0,1,0,0|2,0,0]=4 16166 B10R1.29 CN1CCCC1CCO[13CH3] 7a_100011215177_200025704644 [1,0,0,1,0,0|2,0,0]=4 16167 B10R1.29 CN1CCCC1CCS[13CH3] 62a_100000005710_200025704644 [1,0,0,1,0,0|2,0,0]=4 16168 B10R1.29 CN1CCCC1CCS[13CH3] 62a_200025704644_100000005710 [1,0,0,1,0,0|2,0,0]=4 16169 B10R1.29 CNCCC1CCCN1C 2230a_106832991635_100000005710 [1,0,0,1,0,0|2,0,0]=4 16170 B10R1.29 CNCCC1CCCN1C 34a_100102657272_100000005710 [1,0,0,1,0,0|2,0,0]=4 16171 B10R1.29 CNCCC1CCCN1C 7a_106832991635_100000005710 [1,0,0,1,0,0|2,0,0]=4 16172 B10R1.29 COCCC1CCCN1C 34a_100011215177_200000210301 [1,0,0,1,0,0|2,0,0]=4 16173 B10R1.29 COCCC1CCCN1C 34a_100138415774_100000005710 [1,0,0,1,0,0|2,0,0]=4 16174 B10R1.29 COCCC1CCCN1C 7a_100011215177_200000210301 [1,0,0,1,0,0|2,0,0]=4 16175 B10R1.29 COCCN1CCC[C@@H]1C 2230a_100020605311_100011201679 [1,0,0,1,0,0|2,0,0]=4 16176 B10R1.29 COCCN1CCC[C@@H]1C 269982a_100020605311_100000233755 [1,0,0,1,0,0|2,0,0]=4 16177 B10R1.29 COCCN1CCC[C@H]1C 2230a_100015189458_100011201679 [1,0,0,1,0,0|2,0,0]=4 16178 B10R1.29 COCCN1CCC[C@H]1C 269982a_100015189458_100000233755 [1,0,0,1,0,0|2,0,0]=4 16179 B10R1.29 COCCN1CCC[C@H]1C 34a_100015189458_100011201679 [1,0,0,1,0,0|2,0,0]=4 16180 B10R1.29 CSCCC1CCCN1C 62a_100000005710_200000210301 [1,0,0,1,0,0|2,0,0]=4 16181 B10R1.29 CSCCC1CCCN1C 62a_200000210301_100000005710 [1,0,0,1,0,0|2,0,0]=4 16182 B10R1.29 CSCCN1CCC[C@@H]1C 2230a_100020605311_100000751147 [1,0,0,1,0,0|2,0,0]=4 16183 B10R1.29 CSCCN1CCC[C@@H]1C 269982a_100020605311_100000212216 [1,0,0,1,0,0|2,0,0]=4 16184 B10R1.29 CSCCN1CCC[C@H]1C 2230a_100015189458_100000751147 [1,0,0,1,0,0|2,0,0]=4 16185 B10R1.29 CSCCN1CCC[C@H]1C 269982a_100015189458_100000212216 [1,0,0,1,0,0|2,0,0]=4 16186 B10R1.29 CSCCN1CCC[C@H]1C 34a_100015189458_100000212216 [1,0,0,1,0,0|2,0,0]=4 16187 B10R1.29 CSCOC1CCCC1C 34a_100011216460_100011218213 [1,0,0,1,0,0|2,0,0]=4 16188 B10R1.29 C[C@@H]1CCCN1CCCF 2230a_100015189458_100011934791 [1,0,0,1,0,0|2,0,0]=4 16189 B10R1.29 C[C@@H]1CCCN1CCCF 269982a_100015189458_100011934791 [1,0,0,1,0,0|2,0,0]=4 16190 B10R1.29 C[C@@H]1CCCN1CCCF 34a_100015189458_100011934791 [1,0,0,1,0,0|2,0,0]=4 16191 B10R1.29 C[C@@H]1CCCN1CCCO 2230a_100015189458_100000230001 [1,0,0,1,0,0|2,0,0]=4 16192 B10R1.29 C[C@@H]1CCCN1CCCO 269982a_100015189458_100011215043 [1,0,0,1,0,0|2,0,0]=4 16193 B10R1.29 C[C@@H]1CCCN1CCCO 34a_100015189458_100000230001 [1,0,0,1,0,0|2,0,0]=4 16194 B10R1.29 C[C@H]1CCCN1CCCF 2230a_100020605311_100011934791 [1,0,0,1,0,0|2,0,0]=4 16195 B10R1.29 C[C@H]1CCCN1CCCF 269982a_100020605311_100011934791 [1,0,0,1,0,0|2,0,0]=4 16196 B10R1.29 C[C@H]1CCCN1CCCO 2230a_100020605311_100000230001 [1,0,0,1,0,0|2,0,0]=4 16197 B10R1.29 C[C@H]1CCCN1CCCO 269982a_100020605311_100011215043 [1,0,0,1,0,0|2,0,0]=4 16198 B10R1.37 CC1CCN1CCCCF 269982a_100000755817_100000729493 [1,0,0,1,0,0|2,0,0]=4 16199 B10R1.37 CC1CCN1CCCCF 34a_100000755817_100000729493 [1,0,0,1,0,0|2,0,0]=4 16200 B10R1.37 CC1CCN1CCCCO 269982a_100000755817_100000210776 [1,0,0,1,0,0|2,0,0]=4 16201 B10R1.37 CC1CCN1CCCCO 34a_100000755817_100011216708 [1,0,0,1,0,0|2,0,0]=4 16202 B10R1.37 CCCCCN1CCC1C 269982a_100000755817_100000210215 [1,0,0,1,0,0|1,0,0]=3 16203 B10R1.37 CCCCCN1CCC1C 34a_100000755817_100000718602 [1,0,0,1,0,0|1,0,0]=3 16204 B10R1.37 CCOCCN1CCC1C 269982a_100000755817_100011215890 [1,0,0,1,0,0|2,0,0]=4 16205 B10R1.37 CCOCCN1CCC1C 34a_100000755817_100000210147 [1,0,0,1,0,0|2,0,0]=4 16206 B10R1.37 CCSCCN1CCC1C 269982a_100000755817_100000757381 [1,0,0,1,0,0|2,0,0]=4 16207 B10R1.37 CCSCCN1CCC1C 34a_100000755817_100000757381 [1,0,0,1,0,0|2,0,0]=4 16208 B10R1.37 COCCCN1CCC1C 269982a_100000755817_100000740836 [1,0,0,1,0,0|2,0,0]=4 16209 B10R1.37 COCCCN1CCC1C 34a_100000755817_100000740836 [1,0,0,1,0,0|2,0,0]=4 16210 B10R1.57 BrCCCCOC1CCC1 34a_100011216708_100000749161 [1,0,0,1,0,0|2,0,0]=4 16211 B10R1.57 BrCCCOCC1CCC1 34a_100011217188_100000763275 [1,0,0,1,0,0|2,0,0]=4 16212 B10R1.57 CCCCCCN1CCC1 269982a_100000754969_100000210757 [1,0,0,1,0,0|1,0,0]=3 16213 B10R1.57 CCCCCNC1CCC1 2230a_100000749019_100000210326 [1,0,0,1,0,0|1,0,0]=3 16214 B10R1.57 CCCCCNC1CCC1 270004a_100000209983_100000241760 [1,0,0,1,0,0|1,0,0]=3 16215 B10R1.57 CCCCCNC1CCC1 34a_100000749019_100000718602 [1,0,0,1,0,0|1,0,0]=3 16216 B10R1.57 CCCCCNC1COC1 2230a_100016991112_100000210326 [1,0,0,1,0,0|2,0,0]=4 16217 B10R1.57 CCCCCOC1CCC1 34a_100000210253_100000749161 [1,0,0,1,0,0|1,0,0]=3 16218 B10R1.57 CCCCCOC1CCC1 34a_100000748187_100000718602 [1,0,0,1,0,0|1,0,0]=3 16219 B10R1.57 CCCCCOC1COC1 34a_100000210253_100009818527 [1,0,0,1,0,0|2,0,0]=4 16220 B10R1.57 CCCCCOC1COC1 7a_100000210253_100009818527 [1,0,0,1,0,0|2,0,0]=4 16221 B10R1.57 CCCCCOC1CSC1 7a_100000072292_100000210326 [1,0,0,1,0,0|2,0,0]=4 16222 B10R1.57 CCCCCSC1CCC1 62a_100000210326_100000749161 [1,0,0,1,0,0|1,0,0]=3 16223 B10R1.57 CCCCCSC1COC1 62a_100000210326_100009818527 [1,0,0,1,0,0|2,0,0]=4 16224 B10R1.57 CCCCNCC1CCC1 2230a_100000102301_100000763275 [1,0,0,1,0,0|1,0,0]=3 16225 B10R1.57 CCCCNCC1CCC1 2230a_100000738700_100000210211 [1,0,0,1,0,0|1,0,0]=3 16226 B10R1.57 CCCCNCC1CCC1 269862a_100000102301_100000753134 [1,0,0,1,0,0|1,0,0]=3 16227 B10R1.57 CCCCNCC1CCC1 34a_100000738700_100000210210 [1,0,0,1,0,0|1,0,0]=3 16228 B10R1.57 CCCCNCC1CCC1 7a_106832991798_100000763275 [1,0,0,1,0,0|1,0,0]=3 16229 B10R1.57 CCCCNCC1CCO1 2230a_100000102301_100000103362 [1,0,0,1,0,0|2,0,0]=4 16230 B10R1.57 CCCCNCC1CCO1 7a_106832991798_100000103362 [1,0,0,1,0,0|2,0,0]=4 16231 B10R1.57 CCCCNCC1COC1 2230a_100000102301_100010264016 [1,0,0,1,0,0|2,0,0]=4 16232 B10R1.57 CCCCNCC1COC1 2230a_100015281925_100000210211 [1,0,0,1,0,0|2,0,0]=4 16233 B10R1.57 CCCCNCC1COC1 34a_100015281925_100000210210 [1,0,0,1,0,0|2,0,0]=4 16234 B10R1.57 CCCCNCC1COC1 7a_106832991798_100010264016 [1,0,0,1,0,0|2,0,0]=4 16235 B10R1.57 CCCCNC[C@@H]1CCO1 2230a_100020831831_100000210211 [1,0,0,1,0,0|2,0,0]=4 16236 B10R1.57 CCCCNC[C@@H]1CCO1 34a_100020831831_100000210210 [1,0,0,1,0,0|2,0,0]=4 16237 B10R1.57 CCCCOCC1CCC1 34a_100000210227_100000763275 [1,0,0,1,0,0|1,0,0]=3 16238 B10R1.57 CCCCOCC1CCC1 34a_100000760304_100000210210 [1,0,0,1,0,0|1,0,0]=3 16239 B10R1.57 CCCCOCC1CCC1 7a_100000210227_100000763275 [1,0,0,1,0,0|1,0,0]=3 16240 B10R1.57 CCCCOCC1CCO1 34a_100000039022_100000210210 [1,0,0,1,0,0|2,0,0]=4 16241 B10R1.57 CCCCOCC1CCO1 34a_100000210227_100000103362 [1,0,0,1,0,0|2,0,0]=4 16242 B10R1.57 CCCCOCC1CCO1 7a_100000210227_100000103362 [1,0,0,1,0,0|2,0,0]=4 16243 B10R1.57 CCCCOCC1CNC1 34a_100016987283_100000210210 [1,0,0,1,0,0|2,0,0]=4 16244 B10R1.57 CCCCOCC1COC1 34a_100000060846_100000210210 [1,0,0,1,0,0|2,0,0]=4 16245 B10R1.57 CCCCOCC1COC1 34a_100000210227_100010264016 [1,0,0,1,0,0|2,0,0]=4 16246 B10R1.57 CCCCOCC1COC1 7a_100000210227_100010264016 [1,0,0,1,0,0|2,0,0]=4 16247 B10R1.57 CCCCOCN1CCC1 269982a_100000754969_100011995733 [1,0,0,1,0,0|2,0,0]=4 16248 B10R1.57 CCCCSCC1CCC1 62a_100000210211_100000763275 [1,0,0,1,0,0|1,0,0]=3 16249 B10R1.57 CCCCSCC1CCC1 62a_100000763275_100000210210 [1,0,0,1,0,0|1,0,0]=3 16250 B10R1.57 CCCCSCC1CCO1 62a_100000103362_100000210210 [1,0,0,1,0,0|2,0,0]=4 16251 B10R1.57 CCCCSCC1CCO1 62a_100000210211_100000103362 [1,0,0,1,0,0|2,0,0]=4 16252 B10R1.57 CCCCSCC1COC1 62a_100000210211_100010264016 [1,0,0,1,0,0|2,0,0]=4 16253 B10R1.57 CCCCSCC1COC1 62a_100010264016_100000210210 [1,0,0,1,0,0|2,0,0]=4 16254 B10R1.57 CCCOCCC1COC1 34a_100009855314_100000210303 [1,0,0,1,0,0|2,0,0]=4 16255 B10R1.57 CCCOCCN1CCC1 269982a_100000754969_100011215938 [1,0,0,1,0,0|2,0,0]=4 16256 B10R1.57 CCOCCCN1CCC1 269982a_100000754969_100012232248 [1,0,0,1,0,0|2,0,0]=4 16257 B10R1.57 CCOCCNC1CCC1 2230a_100000749019_100011215890 [1,0,0,1,0,0|2,0,0]=4 16258 B10R1.57 CCOCCNC1CCC1 270004a_102516460346_100000241760 [1,0,0,1,0,0|2,0,0]=4 16259 B10R1.57 CCOCCNC1CCC1 34a_100000749019_100000210147 [1,0,0,1,0,0|2,0,0]=4 16260 B10R1.57 CCOCCNC1CCC1 34a_102516460346_100000749161 [1,0,0,1,0,0|2,0,0]=4 16261 B10R1.57 CCOCCOC1CCC1 34a_100000210136_100000749161 [1,0,0,1,0,0|2,0,0]=4 16262 B10R1.57 CCOCCOC1CCC1 34a_100000748187_100000210147 [1,0,0,1,0,0|2,0,0]=4 16263 B10R1.57 CCOCCSC1CCC1 62a_100000210147_100000749161 [1,0,0,1,0,0|2,0,0]=4 16264 B10R1.57 CCOCSCC1CCC1 62a_100000739092_100000763275 [1,0,0,1,0,0|2,0,0]=4 16265 B10R1.57 CCOCSCC1CCC1 62a_100000763275_100000739092 [1,0,0,1,0,0|2,0,0]=4 16266 B10R1.57 CCSCCNC1CCC1 2230a_100000749019_100000757381 [1,0,0,1,0,0|2,0,0]=4 16267 B10R1.57 CCSCCNC1CCC1 270004a_100000106463_100000241760 [1,0,0,1,0,0|2,0,0]=4 16268 B10R1.57 CCSCCNC1CCC1 34a_100000749019_100000757381 [1,0,0,1,0,0|2,0,0]=4 16269 B10R1.57 CCSCCOC1CCC1 34a_100000212035_100000749161 [1,0,0,1,0,0|2,0,0]=4 16270 B10R1.57 CCSCCOC1CCC1 34a_100000748187_100000757381 [1,0,0,1,0,0|2,0,0]=4 16271 B10R1.57 CCSCCSC1CCC1 62a_100000757381_100000749161 [1,0,0,1,0,0|2,0,0]=4 16272 B10R1.57 CNCCCOC1CCC1 34a_100000213112_100000749161 [1,0,0,1,0,0|2,0,0]=4 16273 B10R1.57 COCCCCN1CCC1 269982a_100000754969_100000730899 [1,0,0,1,0,0|2,0,0]=4 16274 B10R1.57 COCCCNC1CCC1 2230a_100000749019_100000740836 [1,0,0,1,0,0|2,0,0]=4 16275 B10R1.57 COCCCNC1CCC1 270004a_100150723488_100000241760 [1,0,0,1,0,0|2,0,0]=4 16276 B10R1.57 COCCCNC1CCC1 34a_100000749019_100000740836 [1,0,0,1,0,0|2,0,0]=4 16277 B10R1.57 COCCCNC1CCC1 34a_100150723488_100000749161 [1,0,0,1,0,0|2,0,0]=4 16278 B10R1.57 COCCCOC1CCC1 34a_100000740835_100000749161 [1,0,0,1,0,0|2,0,0]=4 16279 B10R1.57 COCCCOC1CCC1 34a_100000748187_100000740836 [1,0,0,1,0,0|2,0,0]=4 16280 B10R1.57 COCCCSC1CCC1 62a_100000709357_100000749161 [1,0,0,1,0,0|2,0,0]=4 16281 B10R1.57 COCCNCC1CCC1 2230a_100000209980_100000763275 [1,0,0,1,0,0|2,0,0]=4 16282 B10R1.57 COCCNCC1CCC1 2230a_100000738700_100011201679 [1,0,0,1,0,0|2,0,0]=4 16283 B10R1.57 COCCNCC1CCC1 269862a_100000209980_100000753134 [1,0,0,1,0,0|2,0,0]=4 16284 B10R1.57 COCCNCC1CCC1 34a_100000738700_100011201679 [1,0,0,1,0,0|2,0,0]=4 16285 B10R1.57 COCCOCC1CCC1 34a_100000210237_100000763275 [1,0,0,1,0,0|2,0,0]=4 16286 B10R1.57 COCCOCC1CCC1 34a_100000760304_100011201679 [1,0,0,1,0,0|2,0,0]=4 16287 B10R1.57 COCCSCC1CCC1 62a_100000233755_100000763275 [1,0,0,1,0,0|2,0,0]=4 16288 B10R1.57 COCCSCC1CCC1 62a_100000763275_100000233755 [1,0,0,1,0,0|2,0,0]=4 16289 B10R1.57 CSCCCNC1CCC1 270004a_100000749238_100000241760 [1,0,0,1,0,0|2,0,0]=4 16290 B10R1.57 CSCCCOC1CCC1 34a_100000690336_100000749161 [1,0,0,1,0,0|2,0,0]=4 16291 B10R1.57 CSCCNCC1CCC1 2230a_100000738700_100000751147 [1,0,0,1,0,0|2,0,0]=4 16292 B10R1.57 CSCCNCC1CCC1 2230a_100020590264_100000763275 [1,0,0,1,0,0|2,0,0]=4 16293 B10R1.57 CSCCNCC1CCC1 269862a_100020590264_100000753134 [1,0,0,1,0,0|2,0,0]=4 16294 B10R1.57 CSCCNCC1CCC1 34a_100000738700_100000212216 [1,0,0,1,0,0|2,0,0]=4 16295 B10R1.57 CSCCOCC1CCC1 34a_100000230434_100000763275 [1,0,0,1,0,0|2,0,0]=4 16296 B10R1.57 CSCCOCC1CCC1 34a_100000760304_100000212216 [1,0,0,1,0,0|2,0,0]=4 16297 B10R1.57 CSCCOCC1CCC1 7a_100000230434_100000763275 [1,0,0,1,0,0|2,0,0]=4 16298 B10R1.57 CSCCSCC1CCC1 62a_100000212216_100000763275 [1,0,0,1,0,0|2,0,0]=4 16299 B10R1.57 CSCCSCC1CCC1 62a_100000763275_100000751147 [1,0,0,1,0,0|2,0,0]=4 16300 B10R1.57 ClCCCCOC1CCC1 34a_100000210776_100000749161 [1,0,0,1,0,0|2,0,0]=4 16301 B10R1.57 ClCCCOCC1CCC1 34a_100000230001_100000763275 [1,0,0,1,0,0|2,0,0]=4 16302 B10R1.57 FCCCCCN1CCC1 269982a_100000754969_100000729378 [1,0,0,1,0,0|2,0,0]=4 16303 B10R1.57 FCCCCNC1CCC1 2230a_100000749019_100000729493 [1,0,0,1,0,0|2,0,0]=4 16304 B10R1.57 FCCCCNC1CCC1 34a_100000749019_100000729493 [1,0,0,1,0,0|2,0,0]=4 16305 B10R1.57 FCCCCOC1CCC1 34a_100000748187_100000729493 [1,0,0,1,0,0|2,0,0]=4 16306 B10R1.57 FCCCCOC1CCC1 34a_100011995726_100000749161 [1,0,0,1,0,0|2,0,0]=4 16307 B10R1.57 FCCCCSC1CCC1 62a_100000729493_100000749161 [1,0,0,1,0,0|2,0,0]=4 16308 B10R1.57 FCCCNCC1CCC1 2230a_100000738700_100011934791 [1,0,0,1,0,0|2,0,0]=4 16309 B10R1.57 FCCCNCC1CCC1 2230a_100015189416_100000763275 [1,0,0,1,0,0|2,0,0]=4 16310 B10R1.57 FCCCNCC1CCC1 269862a_100015189416_100000753134 [1,0,0,1,0,0|2,0,0]=4 16311 B10R1.57 FCCCNCC1CCC1 34a_100000738700_100011934791 [1,0,0,1,0,0|2,0,0]=4 16312 B10R1.57 FCCCNCC1CCC1 34a_100015189416_100000763275 [1,0,0,1,0,0|2,0,0]=4 16313 B10R1.57 FCCCOCC1CCC1 34a_100000759539_100000763275 [1,0,0,1,0,0|2,0,0]=4 16314 B10R1.57 FCCCOCC1CCC1 34a_100000760304_100011934791 [1,0,0,1,0,0|2,0,0]=4 16315 B10R1.57 FCCCSCC1CCC1 62a_100000763275_100011934791 [1,0,0,1,0,0|2,0,0]=4 16316 B10R1.57 FCCCSCC1CCC1 62a_100011934791_100000763275 [1,0,0,1,0,0|2,0,0]=4 16317 B10R1.57 ICCCCOC1CCC1 34a_200012148704_100000749161 [1,0,0,1,0,0|2,0,0]=4 16318 B10R1.57 NCCCCOC1CCC1 34a_100000750430_100000749161 [1,0,0,1,0,0|2,0,0]=4 16319 B10R1.57 NCCCOCC1CCC1 34a_100000182051_100000763275 [1,0,0,1,0,0|2,0,0]=4 16320 B10R1.57 OCCCCCN1CCC1 269982a_100000754969_100000746330 [1,0,0,1,0,0|2,0,0]=4 16321 B10R1.57 OCCCCNC1CCC1 2230a_100000749019_100000210776 [1,0,0,1,0,0|2,0,0]=4 16322 B10R1.57 OCCCCNC1CCC1 270004a_100000750430_100000241760 [1,0,0,1,0,0|2,0,0]=4 16323 B10R1.57 OCCCCNC1CCC1 34a_100000749019_100011216708 [1,0,0,1,0,0|2,0,0]=4 16324 B10R1.57 OCCCCNC1CCC1 34a_100000750430_100000749161 [1,0,0,1,0,0|2,0,0]=4 16325 B10R1.57 OCCCCOC1CCC1 34a_100000748187_100011216708 [1,0,0,1,0,0|2,0,0]=4 16326 B10R1.57 OCCCCSC1CCC1 62a_100000210776_100000749161 [1,0,0,1,0,0|2,0,0]=4 16327 B10R1.57 OCCCNCC1CCC1 2230a_100000738700_100000230001 [1,0,0,1,0,0|2,0,0]=4 16328 B10R1.57 OCCCNCC1CCC1 269862a_100000182051_100000753134 [1,0,0,1,0,0|2,0,0]=4 16329 B10R1.57 OCCCNCC1CCC1 34a_100000738700_100000230001 [1,0,0,1,0,0|2,0,0]=4 16330 B10R1.57 OCCCOCC1CCC1 34a_100000760304_100000230001 [1,0,0,1,0,0|2,0,0]=4 16331 B10R1.57 OCCCSCC1CCC1 62a_100000763275_100011215043 [1,0,0,1,0,0|2,0,0]=4 16332 B10R1.57 OCCCSCC1CCC1 62a_100011215043_100000763275 [1,0,0,1,0,0|2,0,0]=4 16333 B10R1.85 CCCN1CCCCCC1 2230a_100000185865_100000210303 [1,0,0,1,0,0|1,0,0]=3 16334 B10R1.85 CCCN1CCCCCC1 269982a_100000185865_100000210303 [1,0,0,1,0,0|1,0,0]=3 16335 B10R1.85 CCCN1CCCCCC1 34a_100000185865_100000210303 [1,0,0,1,0,0|1,0,0]=3 16336 B10R1.85 CCCN1CCCOCC1 2230a_100000685342_100000210303 [1,0,0,1,0,0|2,0,0]=4 16337 B10R1.85 CCCN1CCCOCC1 269982a_100000685342_100000210303 [1,0,0,1,0,0|2,0,0]=4 16338 B10R1.85 CCCN1CCCOCC1 34a_100000685342_100000210303 [1,0,0,1,0,0|2,0,0]=4 16339 B10R1.85 CCNC1CCCCCC1 2230a_100000210984_100000210202 [1,0,0,1,0,0|1,0,0]=3 16340 B10R1.85 CCNC1CCCCCC1 270004a_100015525214_100000210131 [1,0,0,1,0,0|1,0,0]=3 16341 B10R1.85 CCNC1CCCCCC1 34a_100000210984_100000210202 [1,0,0,1,0,0|1,0,0]=3 16342 B10R1.85 CCNC1CCCNCC1 270004a_100015525214_100015187895 [1,0,0,1,0,0|2,0,0]=4 16343 B10R1.85 CCOC1CCCCCC1 34a_100000210887_100000210202 [1,0,0,1,0,0|1,0,0]=3 16344 B10R1.85 CCOC1CCCCCC1 34a_100121572206_100011217769 [1,0,0,1,0,0|1,0,0]=3 16345 B10R1.85 CCOC1CCCCCC1 7a_100000210887_100000210202 [1,0,0,1,0,0|1,0,0]=3 16346 B10R1.85 CCSC1CCCCCC1 62a_100000210202_100011217769 [1,0,0,1,0,0|1,0,0]=3 16347 B10R1.85 CCSC1CCCCCC1 62a_100011217769_100000210202 [1,0,0,1,0,0|1,0,0]=3 16348 B10R1.85 CNCC1CCCCCC1 2230a_100015204231_200000210301 [1,0,0,1,0,0|1,0,0]=3 16349 B10R1.85 CNCC1CCCCCC1 2230a_106832991635_200000696569 [1,0,0,1,0,0|1,0,0]=3 16350 B10R1.85 CNCC1CCCCCC1 269862a_106832991636_200000763224 [1,0,0,1,0,0|1,0,0]=3 16351 B10R1.85 CNCC1CCCCCC1 34a_100015204231_200000210301 [1,0,0,1,0,0|1,0,0]=3 16352 B10R1.85 CNCC1CCCCCC1 34a_100102657272_200000696569 [1,0,0,1,0,0|1,0,0]=3 16353 B10R1.85 CNCC1CCCCCC1 7a_106832991635_200000696569 [1,0,0,1,0,0|1,0,0]=3 16354 B10R1.85 COCC1CCCCCC1 34a_100000699130_200000210301 [1,0,0,1,0,0|1,0,0]=3 16355 B10R1.85 COCC1CCCCCC1 34a_100138415774_200000696569 [1,0,0,1,0,0|1,0,0]=3 16356 B10R1.85 COCC1CCCCCC1 7a_100000699130_200000210301 [1,0,0,1,0,0|1,0,0]=3 16357 B10R1.85 COCN1CCCCCC1 2230a_100000185865_100000766300 [1,0,0,1,0,0|2,0,0]=4 16358 B10R1.85 COCN1CCCCCC1 269982a_100000185865_100000766300 [1,0,0,1,0,0|2,0,0]=4 16359 B10R1.85 CSCC1CCCCCC1 62a_200000210301_200000696569 [1,0,0,1,0,0|1,0,0]=3 16360 B10R1.85 CSCC1CCCCCC1 62a_200000696569_200000210301 [1,0,0,1,0,0|1,0,0]=3 16361 B10R1.85 CSCN1CCCCCC1 2230a_100000185865_100011218213 [1,0,0,1,0,0|2,0,0]=4 16362 B10R1.85 CSCN1CCCCCC1 269982a_100000185865_100011218213 [1,0,0,1,0,0|2,0,0]=4 16363 B10R1.85 CSCN1CCCCCC1 34a_100000185865_100011218213 [1,0,0,1,0,0|2,0,0]=4 16364 B10R1.85 FCCN1CCCCCC1 2230a_100000185865_100011217306 [1,0,0,1,0,0|2,0,0]=4 16365 B10R1.85 FCCN1CCCCCC1 269982a_100000185865_100011217306 [1,0,0,1,0,0|2,0,0]=4 16366 B10R1.85 FCCN1CCCCCC1 34a_100000185865_100011217306 [1,0,0,1,0,0|2,0,0]=4 16367 B10R1.85 FCNC1CCCCCC1 34a_100000210984_100015361967 [1,0,0,1,0,0|2,0,0]=4 16368 B10R1.85 FCOC1CCCCCC1 34a_100000210887_100015361967 [1,0,0,1,0,0|2,0,0]=4 16369 B10R1.85 FCOC1CCCCCC1 7a_100000210887_100015361967 [1,0,0,1,0,0|2,0,0]=4 16370 B10R1.85 FCSC1CCCCCC1 62a_100011217769_100015361967 [1,0,0,1,0,0|2,0,0]=4 16371 B10R1.85 FCSC1CCCCCC1 62a_100015361967_100011217769 [1,0,0,1,0,0|2,0,0]=4 16372 B10R1.85 OCCN1CCCCCC1 2230a_100000185865_100000211926 [1,0,0,1,0,0|2,0,0]=4 16373 B10R1.85 OCCN1CCCCCC1 269982a_100000185865_100000211926 [1,0,0,1,0,0|2,0,0]=4 16374 B10R1.85 OCCN1CCCCCC1 34a_100000185865_100000211926 [1,0,0,1,0,0|2,0,0]=4 16375 B10R1.85 [13CH3]NCC1CCCCCC1 2230a_100015204231_200025704644 [1,0,0,1,0,0|1,0,0]=3 16376 B10R1.85 [13CH3]NCC1CCCCCC1 34a_100015204231_200025704644 [1,0,0,1,0,0|1,0,0]=3 16377 B10R1.85 [13CH3]OCC1CCCCCC1 34a_100000699130_200025704644 [1,0,0,1,0,0|1,0,0]=3 16378 B10R1.85 [13CH3]OCC1CCCCCC1 7a_100000699130_200025704644 [1,0,0,1,0,0|1,0,0]=3 16379 B10R1.85 [13CH3]SCC1CCCCCC1 62a_200000696569_200025704644 [1,0,0,1,0,0|1,0,0]=3 16380 B10R1.85 [13CH3]SCC1CCCCCC1 62a_200025704644_200000696569 [1,0,0,1,0,0|1,0,0]=3 16381 B10R1.132 CCCN1CCC1COC 2230a_100015195929_100000210303 [1,0,0,1,0,0|2,0,0]=4 16382 B10R1.132 CCCN1CCC1COC 269982a_100015195929_100000210303 [1,0,0,1,0,0|2,0,0]=4 16383 B10R1.132 CCCN1CCC1COC 34a_100015195929_100000210303 [1,0,0,1,0,0|2,0,0]=4 16384 B10R1.161 CCN1CCCCCCC1 2230a_100000211400_100000210202 [1,0,0,1,0,0|1,0,0]=3 16385 B10R1.161 CCN1CCCCCCC1 269982a_100000211400_100000204670 [1,0,0,1,0,0|1,0,0]=3 16386 B10R1.161 CCN1CCCCCCC1 34a_100000211400_100000210202 [1,0,0,1,0,0|1,0,0]=3 16387 B10R1.161 CNC1CCCCCCC1 2230a_100000211152_200000210301 [1,0,0,1,0,0|1,0,0]=3 16388 B10R1.161 CNC1CCCCCCC1 270004a_106832991635_100000210524 [1,0,0,1,0,0|1,0,0]=3 16389 B10R1.161 CNC1CCCCCCC1 34a_100000211152_200000210301 [1,0,0,1,0,0|1,0,0]=3 16390 B10R1.161 COC1CCCCCCC1 34a_100000210054_200000210301 [1,0,0,1,0,0|1,0,0]=3 16391 B10R1.161 COC1CCCCCCC1 7a_100000210054_200000210301 [1,0,0,1,0,0|1,0,0]=3 16392 B10R1.161 FCN1CCCCCCC1 269982a_100000211400_100015361967 [1,0,0,1,0,0|2,0,0]=4 16393 B10R1.161 FCN1CCCCCCC1 34a_100000211400_100015361967 [1,0,0,1,0,0|2,0,0]=4 16394 B10R1.161 [13CH3]NC1CCCCCCC1 2230a_100000211152_200025704644 [1,0,0,1,0,0|1,0,0]=3 16395 B10R1.161 [13CH3]NC1CCCCCCC1 34a_100000211152_200025704644 [1,0,0,1,0,0|1,0,0]=3 16396 B10R1.161 [13CH3]OC1CCCCCCC1 34a_100000210054_200025704644 [1,0,0,1,0,0|1,0,0]=3 16397 B10R1.161 [13CH3]OC1CCCCCCC1 7a_100000210054_200025704644 [1,0,0,1,0,0|1,0,0]=3 16398 B10R1.1 CC1CCC(CC1)CN[13CH3] 2230a_103436935547_200025704644 [1,0,0,1,0,0|2,0,0]=4 16399 B10R1.1 CC1CCC(CC1)CN[13CH3] 34a_103436935547_200025704644 [1,0,0,1,0,0|2,0,0]=4 16400 B10R1.1 CC1CCC(CC1)CO[13CH3] 34a_100000701341_200025704644 [1,0,0,1,0,0|2,0,0]=4 16401 B10R1.1 CCCC1CCN(CC1)C 2230a_100015355601_200000210301 [1,0,0,1,0,0|2,0,0]=4 16402 B10R1.1 CCCC1CCN(CC1)C 269982a_100015355601_200000210301 [1,0,0,1,0,0|2,0,0]=4 16403 B10R1.1 CCCC1CCN(CC1)C 34a_100015355601_200000210301 [1,0,0,1,0,0|2,0,0]=4 16404 B10R1.1 CCCC1CCN(CC1)[13CH3] 2230a_100015355601_200025704644 [1,0,0,1,0,0|2,0,0]=4 16405 B10R1.1 CCCC1CCN(CC1)[13CH3] 269982a_100015355601_200025704644 [1,0,0,1,0,0|2,0,0]=4 16406 B10R1.1 CCCC1CCN(CC1)[13CH3] 34a_100015355601_200025704644 [1,0,0,1,0,0|2,0,0]=4 16407 B10R1.1 CCCN1CCC(CC1)C 2230a_100000188429_100000210303 [1,0,0,1,0,0|2,0,0]=4 16408 B10R1.1 CCCN1CCC(CC1)C 269982a_100000188429_100000210303 [1,0,0,1,0,0|2,0,0]=4 16409 B10R1.1 CCCN1CCC(CC1)C 34a_100000188429_100000210303 [1,0,0,1,0,0|2,0,0]=4 16410 B10R1.1 CCCN1CCC(CC1)F 2230a_100015193889_100000210303 [1,0,0,1,0,0|2,0,0]=4 16411 B10R1.1 CCCN1CCC(CC1)F 269982a_100015193889_100000210303 [1,0,0,1,0,0|2,0,0]=4 16412 B10R1.1 CCCN1CCC(CC1)F 34a_100015193889_100000210303 [1,0,0,1,0,0|2,0,0]=4 16413 B10R1.1 CCCN1CCC(CC1)O 2230a_100025773856_100000210303 [1,0,0,1,0,0|1,0,0]=3 16414 B10R1.1 CCCN1CCC(CC1)O 269982a_100025773856_100000210303 [1,0,0,1,0,0|1,0,0]=3 16415 B10R1.1 CCNC1CCC(CC1)C 270004a_100015525214_100000185489 [1,0,0,1,0,0|2,0,0]=4 16416 B10R1.1 CCNC1CCC(CC1)O 270004a_100015525214_100000764474 [1,0,0,1,0,0|1,0,0]=3 16417 B10R1.1 CCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000210202 [1,0,0,1,0,0|2,0,0]=4 16418 B10R1.1 CCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000210202 [1,0,0,1,0,0|2,0,0]=4 16419 B10R1.1 CCOC1CCC(CC1)C 34a_100000210714_100000210202 [1,0,0,1,0,0|2,0,0]=4 16420 B10R1.1 CCOC1CCC(CC1)C 34a_100121572206_200011216234 [1,0,0,1,0,0|2,0,0]=4 16421 B10R1.1 CCOC1CCC(CC1)C 7a_100000210714_100000210202 [1,0,0,1,0,0|2,0,0]=4 16422 B10R1.1 CCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000210202 [1,0,0,1,0,0|2,0,0]=4 16423 B10R1.1 CCSC1CCC(CC1)C 62a_100000210202_200011216234 [1,0,0,1,0,0|2,0,0]=4 16424 B10R1.1 CNCC1CCC(CC1)C 2230a_103436935547_200000210301 [1,0,0,1,0,0|2,0,0]=4 16425 B10R1.1 CNCC1CCC(CC1)C 34a_103436935547_200000210301 [1,0,0,1,0,0|2,0,0]=4 16426 B10R1.1 COCC1CCC(CC1)C 34a_100000701341_200000210301 [1,0,0,1,0,0|2,0,0]=4 16427 B10R1.1 COCN1CCC(CC1)O 2230a_100025773856_100000766300 [1,0,0,1,0,0|2,0,0]=4 16428 B10R1.1 COCN1CCC(CC1)O 269982a_100025773856_100000766300 [1,0,0,1,0,0|2,0,0]=4 16429 B10R1.1 COC[C@H]1CC[C@@H](CC1)N 34a_100009821084_200000210301 [1,0,0,1,0,0|2,0,0]=4 16430 B10R1.1 CSCN1CCC(CC1)O 2230a_100025773856_100011218213 [1,0,0,1,0,0|2,0,0]=4 16431 B10R1.1 CSCN1CCC(CC1)O 269982a_100025773856_100011218213 [1,0,0,1,0,0|2,0,0]=4 16432 B10R1.1 OC1CCN(CC1)CCF 2230a_100025773856_100011217306 [1,0,0,1,0,0|2,0,0]=4 16433 B10R1.1 OC1CCN(CC1)CCF 269982a_100025773856_100011217306 [1,0,0,1,0,0|2,0,0]=4 16434 B10R1.1 OCCN1CCC(CC1)O 2230a_100025773856_100000211926 [1,0,0,1,0,0|2,0,0]=4 16435 B10R1.1 OCCN1CCC(CC1)O 269982a_100025773856_100000211926 [1,0,0,1,0,0|2,0,0]=4 16436 B10R1.1 [13CH3]OC[C@H]1CC[C@@H](CC1)N 34a_100009821084_200025704644 [1,0,0,1,0,0|2,0,0]=4 16437 B10R1.2 CC1CCCC(C1C)N[13CH3] 2230a_100000211273_200025704644 [1,0,0,1,0,0|2,0,0]=4 16438 B10R1.2 CC1CCCC(C1C)N[13CH3] 34a_100000211273_200025704644 [1,0,0,1,0,0|2,0,0]=4 16439 B10R1.2 CC1CCCC(C1C)O[13CH3] 34a_100011217532_200025704644 [1,0,0,1,0,0|2,0,0]=4 16440 B10R1.2 CC1CCCC(C1C)O[13CH3] 7a_100011217532_200025704644 [1,0,0,1,0,0|2,0,0]=4 16441 B10R1.2 CNC1CCCC(C1C)C 2230a_100000211273_200000210301 [1,0,0,1,0,0|2,0,0]=4 16442 B10R1.2 CNC1CCCC(C1C)C 34a_100000211273_200000210301 [1,0,0,1,0,0|2,0,0]=4 16443 B10R1.2 COC1CCCC(C1C)C 34a_100011217532_200000210301 [1,0,0,1,0,0|2,0,0]=4 16444 B10R1.2 COC1CCCC(C1C)C 7a_100011217532_200000210301 [1,0,0,1,0,0|2,0,0]=4 16445 B10R1.15 CC(O[13CH3])C1CCCCC1 34a_100011216961_200025704644 [1,0,0,1,0,0|2,0,0]=4 16446 B10R1.15 CC(O[13CH3])C1CCCCC1 7a_100011216961_200025704644 [1,0,0,1,0,0|2,0,0]=4 16447 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210414_100000210327 [1,0,0,1,0,0|0,0,2]=4 16448 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210647_100000210202 [1,0,0,1,0,0|0,0,2]=4 16449 B10R1.15 CCN(C)C1CCCCC1 2230a_100000201195_200000210301 [1,0,0,1,0,0|2,0,0]=4 16450 B10R1.15 CCN(C)C1CCCCC1 2230a_100000207522_100000210202 [1,0,0,1,0,0|2,0,0]=4 16451 B10R1.15 CCN(C)C1CCCCC1 269982a_100000201195_200000210301 [1,0,0,1,0,0|2,0,0]=4 16452 B10R1.15 CCN(C)C1CCCCC1 269982a_100000207522_100000204670 [1,0,0,1,0,0|2,0,0]=4 16453 B10R1.15 CCN(C)C1CCCCC1 269982a_100000225621_100000210327 [1,0,0,1,0,0|2,0,0]=4 16454 B10R1.15 CCN(C)C1CCCCC1 34a_100000201195_200000210301 [1,0,0,1,0,0|2,0,0]=4 16455 B10R1.15 CCN(C)C1CCCCC1 34a_100000207522_100000210202 [1,0,0,1,0,0|2,0,0]=4 16456 B10R1.15 CCN([13CH3])C1CCCCC1 2230a_100000201195_200025704644 [1,0,0,1,0,0|2,0,0]=4 16457 B10R1.15 CCN([13CH3])C1CCCCC1 269982a_100000201195_200025704644 [1,0,0,1,0,0|2,0,0]=4 16458 B10R1.15 CCN([13CH3])C1CCCCC1 34a_100000201195_200025704644 [1,0,0,1,0,0|2,0,0]=4 16459 B10R1.15 CNC(C)C1CCCCC1 269862a_106832991636_100000210989 [1,0,0,1,0,0|2,0,0]=4 16460 B10R1.15 CN[C@H](C)C1CCCCC1 2230a_100025707633_200000210301 [1,0,0,1,0,0|2,0,0]=4 16461 B10R1.15 CN[C@H](C)C1CCCCC1 34a_100025707633_200000210301 [1,0,0,1,0,0|2,0,0]=4 16462 B10R1.15 COC(C)C1CCCCC1 34a_100011216961_200000210301 [1,0,0,1,0,0|2,0,0]=4 16463 B10R1.15 COC(C)C1CCCCC1 7a_100011216961_200000210301 [1,0,0,1,0,0|2,0,0]=4 16464 B10R1.15 C[C@@H](N[13CH3])C1CCCCC1 2230a_100025707633_200025704644 [1,0,0,1,0,0|2,0,0]=4 16465 B10R1.15 C[C@@H](N[13CH3])C1CCCCC1 34a_100025707633_200025704644 [1,0,0,1,0,0|2,0,0]=4 16466 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210414_100000740388 [1,0,0,1,0,0|0,0,2]=4 16467 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210891_100000210202 [1,0,0,1,0,0|0,0,2]=4 16468 B10R1.27 CCC(C)CN1CCCC1 2230a_100000188435_100000748023 [1,0,0,1,0,0|2,0,0]=4 16469 B10R1.27 CCC(C)CN1CCCC1 269982a_100000188435_100000748023 [1,0,0,1,0,0|2,0,0]=4 16470 B10R1.27 CCC(C)CN1CCCC1 270004a_100000188435_100000243153 [1,0,0,1,0,0|2,0,0]=4 16471 B10R1.27 CCC(C)NC1CCCC1 2230a_100000209981_100000179811 [1,0,0,1,0,0|2,0,0]=4 16472 B10R1.27 CCC(C)NC1CCCC1 2230a_100000211070_100000758301 [1,0,0,1,0,0|2,0,0]=4 16473 B10R1.27 CCC(C)NC1CCCC1 270004a_100000209981_100000210133 [1,0,0,1,0,0|2,0,0]=4 16474 B10R1.27 CCC(C)NC1CCCC1 34a_100000211070_100011215416 [1,0,0,1,0,0|2,0,0]=4 16475 B10R1.27 CCC(C)OC1CCCC1 34a_100000210269_100011215416 [1,0,0,1,0,0|2,0,0]=4 16476 B10R1.27 CCC(C)OC1CCCC1 7a_100000210228_100000179811 [1,0,0,1,0,0|2,0,0]=4 16477 B10R1.27 CCC(C)OC1CCCC1 7a_100000210269_100000758301 [1,0,0,1,0,0|2,0,0]=4 16478 B10R1.27 CCC(C)SC1CCCC1 62a_100000758301_100000179811 [1,0,0,1,0,0|2,0,0]=4 16479 B10R1.27 CCC(C)SC1CCCC1 62a_100011217020_100000758301 [1,0,0,1,0,0|2,0,0]=4 16480 B10R1.27 CCC(O)CN1CCCC1 2230a_100000188435_100011218378 [1,0,0,1,0,0|1,0,0]=3 16481 B10R1.27 CCC(O)CN1CCCC1 269982a_100000188435_100011218378 [1,0,0,1,0,0|1,0,0]=3 16482 B10R1.27 CCC(O)CN1CCSC1 2230a_100011215254_100011218378 [1,0,0,1,0,0|2,0,0]=4 16483 B10R1.27 CCC(O)CN1CCSC1 269982a_100011215254_100011218378 [1,0,0,1,0,0|2,0,0]=4 16484 B10R1.27 CCN(C)CC1CCCC1 2230a_100000225621_100000740388 [1,0,0,1,0,0|2,0,0]=4 16485 B10R1.27 CCN(C)CC1CCCC1 269982a_100000225621_100000740388 [1,0,0,1,0,0|2,0,0]=4 16486 B10R1.27 CC[C@H](C)CN1CCCC1 2230a_100000188435_100009816398 [1,0,0,1,0,0|2,0,0]=4 16487 B10R1.27 CC[C@H](C)CN1CCCC1 269982a_100000188435_100009816398 [1,0,0,1,0,0|2,0,0]=4 16488 B10R1.27 CNC(C)CC1CCCC1 270004a_106832991635_100000692464 [1,0,0,1,0,0|2,0,0]=4 16489 B10R1.27 OCC(O)CN1CCCC1 2230a_100000188435_100011219619 [1,0,0,1,0,0|2,0,0]=4 16490 B10R1.27 OC[C@H](O)CN1CCCC1 2230a_100000188435_100009815848 [1,0,0,1,0,0|2,0,0]=4 16491 B10R1.27 O[C@@H](CF)CN1CCCC1 2230a_100000188435_100015614560 [1,0,0,1,0,0|2,0,0]=4 16492 B10R1.70 CCCCCNC1(CC1)C 2230a_100000757604_100000210326 [1,0,0,1,0,0|2,0,0]=4 16493 B10R1.70 CCCCCOC1(CC1)C 7a_100011725673_100000210326 [1,0,0,1,0,0|2,0,0]=4 16494 B10R1.70 CCCCNCC1(CC1)C 2230a_100000766693_100000210211 [1,0,0,1,0,0|2,0,0]=4 16495 B10R1.70 CCCCNCC1(CC1)O 2230a_100011936951_100000210211 [1,0,0,1,0,0|1,0,0]=3 16496 B10R1.70 CCCCOCC1(CC1)C 7a_100000698024_100000210211 [1,0,0,1,0,0|2,0,0]=4 16497 B10R1.70 CCCCOCC1(CC1)F 34a_200000703853_100000210210 [1,0,0,1,0,0|2,0,0]=4 16498 B10R1.70 CCCCOCC1(CC1)F 7a_200000703853_100000210211 [1,0,0,1,0,0|2,0,0]=4 16499 B10R1.70 COCCNCC1(CC1)O 2230a_100011936951_100011201679 [1,0,0,1,0,0|2,0,0]=4 16500 B10R1.70 CSCCNCC1(CC1)O 2230a_100011936951_100000751147 [1,0,0,1,0,0|2,0,0]=4 16501 B10R1.70 OC1(CC1)CNCCCF 2230a_100011936951_100011934791 [1,0,0,1,0,0|2,0,0]=4 16502 B10R1.70 OCCCNCC1(CC1)O 2230a_100011936951_100000230001 [1,0,0,1,0,0|2,0,0]=4 16503 B10R1.96 CCCC1CCC(C1)NC 270004a_106832991635_200012087856 [1,0,0,1,0,0|2,0,0]=4 16504 B10R1.96 CCNC1CCC(C1)CC 270004a_100015525214_100011218773 [1,0,0,1,0,0|2,0,0]=4 16505 B10R1.143 CCCCN1CC(C1)CC 2230a_100015205115_100000210211 [1,0,0,1,0,0|2,0,0]=4 16506 B10R1.143 CCCCN1CC(C1)CC 269982a_100015205115_100000210211 [1,0,0,1,0,0|2,0,0]=4 16507 B10R1.149 CCC(=O)C1CCCC1C 1458a_100000690547_100000210202 [1,0,0,1,0,0|0,0,2]=4 16508 B10R1.149 CCC(C)N1CCC[C@@H]1C 2230a_100020605311_100000758301 [1,0,0,1,0,0|2,0,0]=4 16509 B10R1.149 CCC(C)N1CCC[C@@H]1C 269982a_100020605311_100000758301 [1,0,0,1,0,0|2,0,0]=4 16510 B10R1.149 CCC(C)N1CCC[C@H]1C 2230a_100015189458_100000758301 [1,0,0,1,0,0|2,0,0]=4 16511 B10R1.149 CCC(C)N1CCC[C@H]1C 269982a_100015189458_100000758301 [1,0,0,1,0,0|2,0,0]=4 16512 B10R1.149 CCC(C)N1CCC[C@H]1C 34a_100015189458_100011215416 [1,0,0,1,0,0|2,0,0]=4 16513 B10R1.151 CCC(C)CNC1CCC1 2230a_100000749019_100000748023 [1,0,0,1,0,0|2,0,0]=4 16514 B10R1.151 CCC(C)CNC1CCC1 270004a_100020588543_100000241760 [1,0,0,1,0,0|2,0,0]=4 16515 B10R1.151 CCC(C)CNC1CCC1 34a_100000749019_100000748023 [1,0,0,1,0,0|2,0,0]=4 16516 B10R1.151 CCC(C)COC1CCC1 34a_100000748187_100000748023 [1,0,0,1,0,0|2,0,0]=4 16517 B10R1.151 CCC(C)CSC1CCC1 62a_100000748023_100000749161 [1,0,0,1,0,0|2,0,0]=4 16518 B10R1.151 CCC(C)NCC1CCC1 2230a_100000209981_100000763275 [1,0,0,1,0,0|2,0,0]=4 16519 B10R1.151 CCC(C)NCC1CCC1 2230a_100000738700_100000758301 [1,0,0,1,0,0|2,0,0]=4 16520 B10R1.151 CCC(C)NCC1CCC1 269862a_100000209981_100000753134 [1,0,0,1,0,0|2,0,0]=4 16521 B10R1.151 CCC(C)NCC1CCC1 34a_100000738700_100011215416 [1,0,0,1,0,0|2,0,0]=4 16522 B10R1.151 CCC(C)OCC1CCC1 34a_100000760304_100011215416 [1,0,0,1,0,0|2,0,0]=4 16523 B10R1.151 CCC(C)OCC1CCC1 7a_100000210228_100000763275 [1,0,0,1,0,0|2,0,0]=4 16524 B10R1.151 CCC(C)SCC1CCC1 62a_100000758301_100000763275 [1,0,0,1,0,0|2,0,0]=4 16525 B10R1.151 CCC(C)SCC1CCC1 62a_100000763275_100000758301 [1,0,0,1,0,0|2,0,0]=4 16526 B10R1.151 CCC(O)CNC1CCC1 2230a_100000749019_100011218378 [1,0,0,1,0,0|1,0,0]=3 16527 B10R1.151 CCC(O)CNC1CCC1 270004a_100011218483_100000241760 [1,0,0,1,0,0|1,0,0]=3 16528 B10R1.151 CCC(O)CNC1CCC1 34a_100000749019_100011218378 [1,0,0,1,0,0|1,0,0]=3 16529 B10R1.151 CCC(O)CNC1COC1 2230a_100016991112_100011218378 [1,0,0,1,0,0|2,0,0]=4 16530 B10R1.151 CCC(O)COC1CCC1 34a_100000748187_100011218378 [1,0,0,1,0,0|1,0,0]=3 16531 B10R1.151 CCC(O)COC1CSC1 7a_100000072292_100011218378 [1,0,0,1,0,0|2,0,0]=4 16532 B10R1.151 CCC(O)CSC1CCC1 62a_100011218378_100000749161 [1,0,0,1,0,0|1,0,0]=3 16533 B10R1.151 CCC(O)CSC1COC1 62a_100011218378_100009818527 [1,0,0,1,0,0|2,0,0]=4 16534 B10R1.151 CC[C@H](C)CNC1CCC1 2230a_100000749019_100009816398 [1,0,0,1,0,0|2,0,0]=4 16535 B10R1.151 CC[C@H](C)CNC1CCC1 34a_100000749019_100009816398 [1,0,0,1,0,0|2,0,0]=4 16536 B10R1.151 CC[C@H](C)COC1CCC1 34a_100000748187_100009816398 [1,0,0,1,0,0|2,0,0]=4 16537 B10R1.151 CC[C@H](C)CSC1CCC1 62a_100009816398_100000749161 [1,0,0,1,0,0|2,0,0]=4 16538 B10R1.151 OCC(O)CNC1CCC1 2230a_100000749019_100011219619 [1,0,0,1,0,0|2,0,0]=4 16539 B10R1.151 OCC(O)CNC1CCC1 34a_100000749019_100011219619 [1,0,0,1,0,0|2,0,0]=4 16540 B10R1.151 OCC(O)COC1CCC1 34a_100000748187_100011219619 [1,0,0,1,0,0|2,0,0]=4 16541 B10R1.151 OCC(O)CSC1CCC1 62a_100011219619_100000749161 [1,0,0,1,0,0|2,0,0]=4 16542 B10R1.151 OC[C@H](O)CNC1CCC1 2230a_100000749019_100009815848 [1,0,0,1,0,0|2,0,0]=4 16543 B10R1.151 OC[C@H](O)CNC1CCC1 34a_100000749019_100009815848 [1,0,0,1,0,0|2,0,0]=4 16544 B10R1.151 OC[C@H](O)COC1CCC1 34a_100000748187_100009815848 [1,0,0,1,0,0|2,0,0]=4 16545 B10R1.151 OC[C@H](O)CSC1CCC1 62a_100009815848_100000749161 [1,0,0,1,0,0|2,0,0]=4 16546 B10R1.151 O[C@@H](CF)CNC1CCC1 2230a_100000749019_100015614560 [1,0,0,1,0,0|2,0,0]=4 16547 B10R1.151 O[C@@H](CF)CNC1CCC1 34a_100000749019_100015614560 [1,0,0,1,0,0|2,0,0]=4 16548 B10R1.151 O[C@@H](CF)COC1CCC1 34a_100000748187_100015614560 [1,0,0,1,0,0|2,0,0]=4 16549 B10R1.151 O[C@@H](CF)CSC1CCC1 62a_100015614560_100000749161 [1,0,0,1,0,0|2,0,0]=4 16550 B10R1.153 CCC(C)CNCC1CC1 2230a_100000735609_100000748023 [1,0,0,1,0,0|2,0,0]=4 16551 B10R1.153 CCC(C)CNCC1CC1 2230a_100020588543_100000742324 [1,0,0,1,0,0|2,0,0]=4 16552 B10R1.153 CCC(C)CNCC1CC1 269862a_100020588543_100000741477 [1,0,0,1,0,0|2,0,0]=4 16553 B10R1.153 CCC(C)CNCC1CC1 270004a_100000735609_100000243153 [1,0,0,1,0,0|2,0,0]=4 16554 B10R1.153 CCC(C)CNCC1CC1 34a_100000735609_100000748023 [1,0,0,1,0,0|2,0,0]=4 16555 B10R1.153 CCC(C)COCC1CC1 34a_100000211283_100000748023 [1,0,0,1,0,0|2,0,0]=4 16556 B10R1.153 CCC(C)CSCC1CC1 62a_100000748023_100000742324 [1,0,0,1,0,0|2,0,0]=4 16557 B10R1.153 CCC(C)CSCC1CC1 62a_100000756562_100000748023 [1,0,0,1,0,0|2,0,0]=4 16558 B10R1.153 CCC(C)NCCC1CC1 2230a_100000209981_100000694398 [1,0,0,1,0,0|2,0,0]=4 16559 B10R1.153 CCC(C)NCCC1CC1 34a_100000764129_100011215416 [1,0,0,1,0,0|2,0,0]=4 16560 B10R1.153 CCC(C)OCCC1CC1 34a_100000754188_100011215416 [1,0,0,1,0,0|2,0,0]=4 16561 B10R1.153 CCC(C)OCCC1CC1 7a_100000210228_100000764125 [1,0,0,1,0,0|2,0,0]=4 16562 B10R1.153 CCC(C)OCCC1CC1 7a_100000754188_100000758301 [1,0,0,1,0,0|2,0,0]=4 16563 B10R1.153 CCC(C)SCCC1CC1 62a_100000758301_100000764125 [1,0,0,1,0,0|2,0,0]=4 16564 B10R1.153 CCC(C)SCCC1CC1 62a_100000764125_100000758301 [1,0,0,1,0,0|2,0,0]=4 16565 B10R1.153 CCC(O)CNCC1CC1 2230a_100000735609_100011218378 [1,0,0,1,0,0|1,0,0]=3 16566 B10R1.153 CCC(O)CNCC1CC1 2230a_100011218483_100000742324 [1,0,0,1,0,0|1,0,0]=3 16567 B10R1.153 CCC(O)CNCC1CC1 269862a_100011218483_100000741477 [1,0,0,1,0,0|1,0,0]=3 16568 B10R1.153 CCC(O)CNCC1CC1 34a_100000735609_100011218378 [1,0,0,1,0,0|1,0,0]=3 16569 B10R1.153 CCC(O)CNCC1CO1 2230a_100011218483_100011216344 [1,0,0,1,0,0|2,0,0]=4 16570 B10R1.153 CCC(O)COCC1CC1 34a_100000211283_100011218378 [1,0,0,1,0,0|1,0,0]=3 16571 B10R1.153 CCC(O)COC[C@@H]1CO1 34a_100000757423_100011218378 [1,0,0,1,0,0|2,0,0]=4 16572 B10R1.153 CCC(O)CSCC1CC1 62a_100000756562_100011218378 [1,0,0,1,0,0|1,0,0]=3 16573 B10R1.153 CCC(O)CSCC1CC1 62a_100011218378_100000742324 [1,0,0,1,0,0|1,0,0]=3 16574 B10R1.153 CCC(O)CSCC1CO1 62a_100011218378_102125554688 [1,0,0,1,0,0|2,0,0]=4 16575 B10R1.153 CCC(O)CSCC1CO1 62a_102125554688_100011218378 [1,0,0,1,0,0|2,0,0]=4 16576 B10R1.153 CCC(O)CSCC1CS1 62a_100000031435_100011218378 [1,0,0,1,0,0|2,0,0]=4 16577 B10R1.153 CCC(O)CSCC1CS1 62a_100011218378_100000031435 [1,0,0,1,0,0|2,0,0]=4 16578 B10R1.153 CCC(O)CSC[C@@H]1CO1 62a_100000745022_100011218378 [1,0,0,1,0,0|2,0,0]=4 16579 B10R1.153 CCC(O)CSC[C@@H]1CO1 62a_100011218378_100000745022 [1,0,0,1,0,0|2,0,0]=4 16580 B10R1.153 CC[C@H](C)CNCC1CC1 2230a_100000735609_100009816398 [1,0,0,1,0,0|2,0,0]=4 16581 B10R1.153 CC[C@H](C)CNCC1CC1 34a_100000735609_100009816398 [1,0,0,1,0,0|2,0,0]=4 16582 B10R1.153 CC[C@H](C)COCC1CC1 34a_100000211283_100009816398 [1,0,0,1,0,0|2,0,0]=4 16583 B10R1.153 CC[C@H](C)COCC1CC1 7a_100009816381_100000742324 [1,0,0,1,0,0|2,0,0]=4 16584 B10R1.153 CC[C@H](C)CSCC1CC1 62a_100000756562_100009816398 [1,0,0,1,0,0|2,0,0]=4 16585 B10R1.153 CC[C@H](C)CSCC1CC1 62a_100009816398_100000742324 [1,0,0,1,0,0|2,0,0]=4 16586 B10R1.153 OCC(O)CNCC1CC1 2230a_100000735609_100011219619 [1,0,0,1,0,0|2,0,0]=4 16587 B10R1.153 OCC(O)CNCC1CC1 34a_100000735609_100011219619 [1,0,0,1,0,0|2,0,0]=4 16588 B10R1.153 OCC(O)COCC1CC1 34a_100000211283_100011219619 [1,0,0,1,0,0|2,0,0]=4 16589 B10R1.153 OCC(O)CSCC1CC1 62a_100000756562_100011219619 [1,0,0,1,0,0|2,0,0]=4 16590 B10R1.153 OCC(O)CSCC1CC1 62a_100011219619_100000742324 [1,0,0,1,0,0|2,0,0]=4 16591 B10R1.153 OC[C@@H](O)CNCC1CC1 2230a_100020644852_100000742324 [1,0,0,1,0,0|2,0,0]=4 16592 B10R1.153 OC[C@@H](O)CNCC1CC1 269862a_100020644852_100000741477 [1,0,0,1,0,0|2,0,0]=4 16593 B10R1.153 OC[C@H](O)CNCC1CC1 2230a_100000735609_100009815848 [1,0,0,1,0,0|2,0,0]=4 16594 B10R1.153 OC[C@H](O)CNCC1CC1 34a_100000735609_100009815848 [1,0,0,1,0,0|2,0,0]=4 16595 B10R1.153 OC[C@H](O)COCC1CC1 34a_100000211283_100009815848 [1,0,0,1,0,0|2,0,0]=4 16596 B10R1.153 OC[C@H](O)CSCC1CC1 62a_100000756562_100009815848 [1,0,0,1,0,0|2,0,0]=4 16597 B10R1.153 OC[C@H](O)CSCC1CC1 62a_100009815848_100000742324 [1,0,0,1,0,0|2,0,0]=4 16598 B10R1.153 O[C@@H](CF)CNCC1CC1 2230a_100000735609_100015614560 [1,0,0,1,0,0|2,0,0]=4 16599 B10R1.153 O[C@@H](CF)CNCC1CC1 34a_100000735609_100015614560 [1,0,0,1,0,0|2,0,0]=4 16600 B10R1.153 O[C@@H](CF)COCC1CC1 34a_100000211283_100015614560 [1,0,0,1,0,0|2,0,0]=4 16601 B10R1.153 O[C@@H](CF)CSCC1CC1 62a_100000756562_100015614560 [1,0,0,1,0,0|2,0,0]=4 16602 B10R1.153 O[C@@H](CF)CSCC1CC1 62a_100015614560_100000742324 [1,0,0,1,0,0|2,0,0]=4 16603 B10R1.172 CCC1CCCC(C1)NC 270004a_106832991635_100000756783 [1,0,0,1,0,0|2,0,0]=4 16604 B10R1.172 CCC1CCCC(C1)OC 7a_100011985506_200000210301 [1,0,0,1,0,0|2,0,0]=4 16605 B10R1.172 CCC1CCCC(C1)O[13CH3] 7a_100011985506_200025704644 [1,0,0,1,0,0|2,0,0]=4 16606 B10R1.197 CCC1CCCN(CC1)C 2230a_100000757272_200000210301 [1,0,0,1,0,0|2,0,0]=4 16607 B10R1.197 CCC1CCCN(CC1)C 269982a_100000757272_200000210301 [1,0,0,1,0,0|2,0,0]=4 16608 B10R1.197 CCC1CCCN(CC1)C 34a_100000757272_200000210301 [1,0,0,1,0,0|2,0,0]=4 16609 B10R1.197 CCC1CCCN(CC1)[13CH3] 2230a_100000757272_200025704644 [1,0,0,1,0,0|2,0,0]=4 16610 B10R1.197 CCC1CCCN(CC1)[13CH3] 269982a_100000757272_200025704644 [1,0,0,1,0,0|2,0,0]=4 16611 B10R1.197 CCC1CCCN(CC1)[13CH3] 34a_100000757272_200025704644 [1,0,0,1,0,0|2,0,0]=4 16612 B10R1.197 CCN1CCCC(CC1)C 2230a_100025706717_100000210202 [1,0,0,1,0,0|2,0,0]=4 16613 B10R1.197 CCN1CCCC(CC1)C 269982a_100025706717_100000204670 [1,0,0,1,0,0|2,0,0]=4 16614 B10R1.197 CCN1CCCC(CC1)C 34a_100025706717_100000210202 [1,0,0,1,0,0|2,0,0]=4 16615 B10R1.197 CCN1CCCC(CC1)O 2230a_100015186869_100000210202 [1,0,0,1,0,0|1,0,0]=3 16616 B10R1.197 CCN1CCCC(CC1)O 269982a_100015186869_100000204670 [1,0,0,1,0,0|1,0,0]=3 16617 B10R1.197 OC1CCCN(CC1)CF 269982a_100015186869_100015361967 [1,0,0,1,0,0|2,0,0]=4 16618 B10R1.206 CCC(C)OCC1CC1C 34a_100000744939_100011215416 [1,0,0,1,0,0|2,0,0]=4 16619 B10R1.206 CCC(C)OCC1CC1C 7a_100000744939_100000758301 [1,0,0,1,0,0|2,0,0]=4 16620 B10R1.206 CCC(O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100011218378 [1,0,0,1,0,0|2,0,0]=4 16621 B10R1.206 CCC(O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100011218378 [1,0,0,1,0,0|2,0,0]=4 16622 B10R1.206 CCC(O)CN[C@@H]1C[C@H]1F 34a_100025746932_100011218378 [1,0,0,1,0,0|2,0,0]=4 16623 B10R1.217 CCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210211 [1,0,0,1,0,0|1,0,0]=3 16624 B10R1.217 CCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210211 [1,0,0,1,0,0|1,0,0]=3 16625 B10R1.217 CCOCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000739092 [1,0,0,1,0,0|2,0,0]=4 16626 B10R1.217 COCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100011201679 [1,0,0,1,0,0|2,0,0]=4 16627 B10R1.217 COCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000233755 [1,0,0,1,0,0|2,0,0]=4 16628 B10R1.217 CSCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000751147 [1,0,0,1,0,0|2,0,0]=4 16629 B10R1.217 CSCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000212216 [1,0,0,1,0,0|2,0,0]=4 16630 B10R1.217 C[C@H]1[C@H](CN1CCCF)O 2230a_206633788156_100011934791 [1,0,0,1,0,0|2,0,0]=4 16631 B10R1.217 C[C@H]1[C@H](CN1CCCF)O 269982a_206633788156_100011934791 [1,0,0,1,0,0|2,0,0]=4 16632 B10R1.217 C[C@H]1[C@H](CN1CCCO)O 2230a_206633788156_100000230001 [1,0,0,1,0,0|2,0,0]=4 16633 B10R1.217 C[C@H]1[C@H](CN1CCCO)O 269982a_206633788156_100011215043 [1,0,0,1,0,0|2,0,0]=4 16634 B10R1.232 CC1(CCCCCC1)N[13CH3] 2230a_100000704638_200025704644 [1,0,0,1,0,0|2,0,0]=4 16635 B10R1.232 CC1(CCCCCC1)N[13CH3] 34a_100000704638_200025704644 [1,0,0,1,0,0|2,0,0]=4 16636 B10R1.232 CC1(CCCCCC1)O[13CH3] 34a_100000708895_200025704644 [1,0,0,1,0,0|2,0,0]=4 16637 B10R1.232 CC1(CCCCCC1)O[13CH3] 7a_100000708895_200025704644 [1,0,0,1,0,0|2,0,0]=4 16638 B10R1.232 CNC1(CCCCCC1)C 2230a_100000704638_200000210301 [1,0,0,1,0,0|2,0,0]=4 16639 B10R1.232 CNC1(CCCCCC1)C 34a_100000704638_200000210301 [1,0,0,1,0,0|2,0,0]=4 16640 B10R1.232 COC1(CCCCCC1)C 34a_100000708895_200000210301 [1,0,0,1,0,0|2,0,0]=4 16641 B10R1.232 COC1(CCCCCC1)C 7a_100000708895_200000210301 [1,0,0,1,0,0|2,0,0]=4 16642 B10R1.463 CC1CCN1CC(O)CO 34a_100000755817_100011219619 [1,0,0,1,0,0|2,0,0]=4 16643 B10R1.463 CC1CCN1C[C@@H](O)CF 34a_100000755817_100015614560 [1,0,0,1,0,0|2,0,0]=4 16644 B10R1.463 CC1CCN1C[C@@H](O)CO 34a_100000755817_100009815848 [1,0,0,1,0,0|2,0,0]=4 16645 B10R1.463 CCC(C)CN1CCC1C 269982a_100000755817_100000748023 [1,0,0,1,0,0|2,0,0]=4 16646 B10R1.463 CCC(C)CN1CCC1C 34a_100000755817_100000748023 [1,0,0,1,0,0|2,0,0]=4 16647 B10R1.463 CCC(O)CN1CCC1C 269982a_100000755817_100011218378 [1,0,0,1,0,0|1,0,0]=3 16648 B10R1.463 CCC(O)CN1CCC1C 34a_100000755817_100011218378 [1,0,0,1,0,0|1,0,0]=3 16649 B10R1.463 CC[C@H](C)CN1CCC1C 269982a_100000755817_100009816398 [1,0,0,1,0,0|2,0,0]=4 16650 B10R1.463 CC[C@H](C)CN1CCC1C 34a_100000755817_100009816398 [1,0,0,1,0,0|2,0,0]=4 16651 B12R1.28 CCCCCN1CCCC(C1)F 2230a_100000697950_100000210326 [0,1,0,1,0,0|2,0,0]=4 16652 B12R1.28 CCCCCN1CCCC(C1)F 269982a_100000697950_100000210215 [0,1,0,1,0,0|2,0,0]=4 16653 B12R1.28 CCCCCN1CCCC(C1)F 34a_100000697950_100000718602 [0,1,0,1,0,0|2,0,0]=4 16654 B12R1.28 CCCCCN1CCCC(C1)O 2230a_100000211013_100000210326 [0,1,0,1,0,0|1,0,0]=3 16655 B12R1.28 CCCCCN1CCCC(C1)O 269982a_100000211013_100000210215 [0,1,0,1,0,0|1,0,0]=3 16656 B12R1.28 CCCCCN1CCC[C@@H](C1)C 2230a_100000717927_100000210326 [0,1,0,1,0,0|2,0,0]=4 16657 B12R1.28 CCCCCN1CCC[C@@H](C1)C 269982a_100000717927_100000210215 [0,1,0,1,0,0|2,0,0]=4 16658 B12R1.28 CCCCCN1CCC[C@@H](C1)C 34a_100000717927_100000718602 [0,1,0,1,0,0|2,0,0]=4 16659 B12R1.28 CCCCCN1CCOC(C1)C 2230a_100000729577_100000210326 [0,1,0,1,0,0|2,0,0]=4 16660 B12R1.28 CCCCCN1CCOC(C1)C 269982a_100000729577_100000210215 [0,1,0,1,0,0|2,0,0]=4 16661 B12R1.28 CCCCCN1CCOC(C1)C 34a_100000729577_100000718602 [0,1,0,1,0,0|2,0,0]=4 16662 B12R1.28 CCCCCN1CCOC(C1)O 2230a_100000688207_100000210326 [0,1,0,1,0,0|1,0,0]=3 16663 B12R1.28 CCCCCN1CCOC(C1)O 269982a_100000688207_100000210215 [0,1,0,1,0,0|1,0,0]=3 16664 B12R1.28 CCCCNC1CCCC(C1)C 2230a_100011194320_100000210211 [0,1,0,1,0,0|2,0,0]=4 16665 B12R1.28 CCCCNC1CCCC(C1)C 270004a_100000102301_100000183594 [0,1,0,1,0,0|2,0,0]=4 16666 B12R1.28 CCCCNC1CCCC(C1)C 34a_100011194320_100000210210 [0,1,0,1,0,0|2,0,0]=4 16667 B12R1.28 CCCCNC1CCCC(C1)O 2230a_100015190357_100000210211 [0,1,0,1,0,0|1,0,0]=3 16668 B12R1.28 CCCCNC1CCCC(C1)O 270004a_100000102301_100012613340 [0,1,0,1,0,0|1,0,0]=3 16669 B12R1.28 CCCCNC1CCN[C@@H](C1)C 270004a_100000102301_100016994030 [0,1,0,1,0,0|2,0,0]=4 16670 B12R1.28 CCCCNC1CCOC(C1)C 270004a_100000102301_100000755752 [0,1,0,1,0,0|2,0,0]=4 16671 B12R1.28 CCCCOC1CCCC(C1)C 34a_100000211399_100000210210 [0,1,0,1,0,0|2,0,0]=4 16672 B12R1.28 CCCCOC1CCOC(C1)C 34a_100011986385_100000210210 [0,1,0,1,0,0|2,0,0]=4 16673 B12R1.28 CCCCOC1CCOC(C1)C 7a_100011986385_100000210211 [0,1,0,1,0,0|2,0,0]=4 16674 B12R1.28 CCCNCC1CCCC(C1)O 2230a_100011254705_100000210303 [0,1,0,1,0,0|1,0,0]=3 16675 B12R1.28 CCCOCC1CNCC(C1)C 34a_200012821172_100000210303 [0,1,0,1,0,0|2,0,0]=4 16676 B12R1.28 CCOCCN1CCCC(C1)O 2230a_100000211013_100011215890 [0,1,0,1,0,0|2,0,0]=4 16677 B12R1.28 CCOCCN1CCCC(C1)O 269982a_100000211013_100011215890 [0,1,0,1,0,0|2,0,0]=4 16678 B12R1.28 CCOCCN1CCOC(C1)O 2230a_100000688207_100011215890 [0,1,0,1,0,0|2,0,0]=4 16679 B12R1.28 CCOCCN1CCOC(C1)O 269982a_100000688207_100011215890 [0,1,0,1,0,0|2,0,0]=4 16680 B12R1.28 CCSCCN1CCCC(C1)O 2230a_100000211013_100000757381 [0,1,0,1,0,0|2,0,0]=4 16681 B12R1.28 CCSCCN1CCCC(C1)O 269982a_100000211013_100000757381 [0,1,0,1,0,0|2,0,0]=4 16682 B12R1.28 CCSCCN1CCOC(C1)O 2230a_100000688207_100000757381 [0,1,0,1,0,0|2,0,0]=4 16683 B12R1.28 CCSCCN1CCOC(C1)O 269982a_100000688207_100000757381 [0,1,0,1,0,0|2,0,0]=4 16684 B12R1.28 COCCCN1CCCC(C1)O 2230a_100000211013_100000740836 [0,1,0,1,0,0|2,0,0]=4 16685 B12R1.28 COCCCN1CCCC(C1)O 269982a_100000211013_100000740836 [0,1,0,1,0,0|2,0,0]=4 16686 B12R1.28 COCCCN1CCOC(C1)O 2230a_100000688207_100000740836 [0,1,0,1,0,0|2,0,0]=4 16687 B12R1.28 COCCCN1CCOC(C1)O 269982a_100000688207_100000740836 [0,1,0,1,0,0|2,0,0]=4 16688 B12R1.28 COCCNC1CCCC(C1)O 2230a_100015190357_100011201679 [0,1,0,1,0,0|2,0,0]=4 16689 B12R1.28 COCCNC1CCCC(C1)O 270004a_100000209980_100012613340 [0,1,0,1,0,0|2,0,0]=4 16690 B12R1.28 COCNCC1CCCC(C1)O 2230a_100011254705_100000766300 [0,1,0,1,0,0|2,0,0]=4 16691 B12R1.28 CSCCNC1CCCC(C1)O 2230a_100015190357_100000751147 [0,1,0,1,0,0|2,0,0]=4 16692 B12R1.28 CSCCNC1CCCC(C1)O 270004a_100020590264_100012613340 [0,1,0,1,0,0|2,0,0]=4 16693 B12R1.28 CSCNCC1CCCC(C1)O 2230a_100011254705_100011218213 [0,1,0,1,0,0|2,0,0]=4 16694 B12R1.28 OC1CCCC(C1)CNCCF 2230a_100011254705_100011217306 [0,1,0,1,0,0|2,0,0]=4 16695 B12R1.28 OC1CCCC(C1)NCCCF 2230a_100015190357_100011934791 [0,1,0,1,0,0|2,0,0]=4 16696 B12R1.28 OC1CCCC(C1)NCCCF 270004a_100015189416_100012613340 [0,1,0,1,0,0|2,0,0]=4 16697 B12R1.28 OC1CCCN(C1)CCCCF 2230a_100000211013_100000729493 [0,1,0,1,0,0|2,0,0]=4 16698 B12R1.28 OC1CCCN(C1)CCCCF 269982a_100000211013_100000729493 [0,1,0,1,0,0|2,0,0]=4 16699 B12R1.28 OC1CN(CCO1)CCCCF 2230a_100000688207_100000729493 [0,1,0,1,0,0|2,0,0]=4 16700 B12R1.28 OC1CN(CCO1)CCCCF 269982a_100000688207_100000729493 [0,1,0,1,0,0|2,0,0]=4 16701 B12R1.28 OCCCCN1CCCC(C1)O 2230a_100000211013_100000210776 [0,1,0,1,0,0|2,0,0]=4 16702 B12R1.28 OCCCCN1CCCC(C1)O 269982a_100000211013_100000210776 [0,1,0,1,0,0|2,0,0]=4 16703 B12R1.28 OCCCCN1CCOC(C1)O 2230a_100000688207_100000210776 [0,1,0,1,0,0|2,0,0]=4 16704 B12R1.28 OCCCCN1CCOC(C1)O 269982a_100000688207_100000210776 [0,1,0,1,0,0|2,0,0]=4 16705 B12R1.28 OCCCNC1CCCC(C1)O 2230a_100015190357_100000230001 [0,1,0,1,0,0|2,0,0]=4 16706 B12R1.28 OCCCNC1CCCC(C1)O 270004a_100000182051_100012613340 [0,1,0,1,0,0|2,0,0]=4 16707 B12R1.28 OCCNCC1CCCC(C1)O 2230a_100011254705_100000211926 [0,1,0,1,0,0|2,0,0]=4 16708 B12R1.32 CC(CCBr)OC1CCCCC1 34a_100012276601_100000210327 [0,1,0,1,0,0|2,0,0]=4 16709 B12R1.32 CC(CCO)NC1CCCCC1 2230a_100000182618_100009893172 [0,1,0,1,0,0|2,0,0]=4 16710 B12R1.32 CC(CCO)NC1CCCCC1 34a_100000182618_100009893172 [0,1,0,1,0,0|2,0,0]=4 16711 B12R1.32 CC(CCO)OC1CCCCC1 34a_100000210231_100009893172 [0,1,0,1,0,0|2,0,0]=4 16712 B12R1.32 CC(CCO)OC1CCCCC1 7a_100000210231_100009893172 [0,1,0,1,0,0|2,0,0]=4 16713 B12R1.32 CC(CCO)SC1CCCCC1 62a_100000210327_100009893172 [0,1,0,1,0,0|2,0,0]=4 16714 B12R1.32 CC(CCO)SC1CCCCC1 62a_100009893172_100000210327 [0,1,0,1,0,0|2,0,0]=4 16715 B12R1.32 CC(CO[13CH3])CN1CCCCC1 34a_200011934647_200025704644 [0,1,0,1,0,0|2,0,0]=4 16716 B12R1.32 CCCC(=O)CC1CCCCC1 1458a_100000211666_100000210303 [0,1,0,1,0,0|0,0,2]=4 16717 B12R1.32 CCCC(=O)CC1CCCCC1 1458a_100000211992_100000211423 [0,1,0,1,0,0|0,0,2]=4 16718 B12R1.32 CCCC(C)NC1CCCCC1 2230a_100000182618_100000766640 [0,1,0,1,0,0|2,0,0]=4 16719 B12R1.32 CCCC(C)NC1CCCCC1 270004a_100000182618_100000211909 [0,1,0,1,0,0|2,0,0]=4 16720 B12R1.32 CCCC(C)NC1CCCCC1 270004a_100000741246_100000210434 [0,1,0,1,0,0|2,0,0]=4 16721 B12R1.32 CCCC(C)NC1CCCCC1 34a_100000182618_100000766640 [0,1,0,1,0,0|2,0,0]=4 16722 B12R1.32 CCCC(C)OC1CCCCC1 34a_100000210231_100000766640 [0,1,0,1,0,0|2,0,0]=4 16723 B12R1.32 CCCC(C)OC1CCCCC1 34a_100000764384_100000210327 [0,1,0,1,0,0|2,0,0]=4 16724 B12R1.32 CCCC(C)OC1CCCCC1 7a_100000210231_100000766640 [0,1,0,1,0,0|2,0,0]=4 16725 B12R1.32 CCCC(C)OC1CCCCC1 7a_100000764384_100000210327 [0,1,0,1,0,0|2,0,0]=4 16726 B12R1.32 CCCC(C)SC1CCCCC1 62a_100000210327_100000766640 [0,1,0,1,0,0|2,0,0]=4 16727 B12R1.32 CCCC(C)SC1CCCCC1 62a_100000766640_100000210327 [0,1,0,1,0,0|2,0,0]=4 16728 B12R1.32 CCCN(C)CC1CCCCC1 2230a_100000736448_100000210303 [0,1,0,1,0,0|2,0,0]=4 16729 B12R1.32 CCCN(C)CC1CCCCC1 2230a_100000743638_200000210301 [0,1,0,1,0,0|2,0,0]=4 16730 B12R1.32 CCCN(C)CC1CCCCC1 2230a_100000747261_100000211423 [0,1,0,1,0,0|2,0,0]=4 16731 B12R1.32 CCCN(C)CC1CCCCC1 269982a_100000736448_100000210303 [0,1,0,1,0,0|2,0,0]=4 16732 B12R1.32 CCCN(C)CC1CCCCC1 269982a_100000743638_200000210301 [0,1,0,1,0,0|2,0,0]=4 16733 B12R1.32 CCCN(C)CC1CCCCC1 269982a_100000747261_100000211423 [0,1,0,1,0,0|2,0,0]=4 16734 B12R1.32 CCCN(C)CC1CCCCC1 34a_100000736448_100000210303 [0,1,0,1,0,0|2,0,0]=4 16735 B12R1.32 CCCN(C)CC1CCCCC1 34a_100000743638_200000210301 [0,1,0,1,0,0|2,0,0]=4 16736 B12R1.32 CCCN([13CH3])CC1CCCCC1 2230a_100000743638_200025704644 [0,1,0,1,0,0|2,0,0]=4 16737 B12R1.32 CCCN([13CH3])CC1CCCCC1 269982a_100000743638_200025704644 [0,1,0,1,0,0|2,0,0]=4 16738 B12R1.32 CCCN([13CH3])CC1CCCCC1 34a_100000743638_200025704644 [0,1,0,1,0,0|2,0,0]=4 16739 B12R1.32 CCNC(=O)CC1CCCCC1 11a_100015525214_100000211666 [0,1,0,1,0,0|0,0,2]=4 16740 B12R1.32 CCNC(=O)CC1CCCCC1 240690a_100015525214_100000211666 [0,1,0,1,0,0|0,0,2]=4 16741 B12R1.32 CCNC(=O)CC1CCCCC1 527a_100015525214_100000211666 [0,1,0,1,0,0|0,0,2]=4 16742 B12R1.32 CCNC(C)CC1CCCCC1 270004a_100015525214_100011215996 [0,1,0,1,0,0|1,0,0]=3 16743 B12R1.32 CCNC(C)CN1CCCCC1 2230a_100000738326_100000210202 [0,1,0,1,0,0|2,0,0]=4 16744 B12R1.32 CCSC(C)CN1CCCCC1 62a_100000210202_100009831500 [0,1,0,1,0,0|2,0,0]=4 16745 B12R1.32 CCSC(C)CN1CCCCC1 62a_100009831500_100000210202 [0,1,0,1,0,0|2,0,0]=4 16746 B12R1.32 CN(CCF)CC1CCCCC1 2230a_100000736448_100011217306 [0,1,0,1,0,0|2,0,0]=4 16747 B12R1.32 CN(CCF)CC1CCCCC1 269982a_100000736448_100011217306 [0,1,0,1,0,0|2,0,0]=4 16748 B12R1.32 CN(CCF)CC1CCCCC1 34a_100000736448_100011217306 [0,1,0,1,0,0|2,0,0]=4 16749 B12R1.32 CN(CCO)CC1CCCCC1 2230a_100000210263_100000211423 [0,1,0,1,0,0|2,0,0]=4 16750 B12R1.32 CN(CCO)CC1CCCCC1 2230a_100000736448_100000211926 [0,1,0,1,0,0|2,0,0]=4 16751 B12R1.32 CN(CCO)CC1CCCCC1 269982a_100000210263_100000211423 [0,1,0,1,0,0|2,0,0]=4 16752 B12R1.32 CN(CCO)CC1CCCCC1 269982a_100000736448_100000211926 [0,1,0,1,0,0|2,0,0]=4 16753 B12R1.32 CN(CCO)CC1CCCCC1 34a_100000736448_100000211926 [0,1,0,1,0,0|2,0,0]=4 16754 B12R1.32 CNCC(O)CN1CCOCC1 2230a_100000195491_200000210301 [0,1,0,1,0,0|2,0,0]=4 16755 B12R1.32 CNC[C@H](O)CN1CCCCC1 2230a_100015205997_200000210301 [0,1,0,1,0,0|1,0,0]=3 16756 B12R1.32 COCC(=O)CC1CCCCC1 1458a_100000210968_100000211423 [0,1,0,1,0,0|0,0,2]=4 16757 B12R1.32 COCC(C)CN1CCCCC1 34a_200011934647_200000210301 [0,1,0,1,0,0|2,0,0]=4 16758 B12R1.32 COCC(C)NC1CCCCC1 2230a_100000182618_100000765312 [0,1,0,1,0,0|2,0,0]=4 16759 B12R1.32 COCC(C)NC1CCCCC1 270004a_100000182618_100000749346 [0,1,0,1,0,0|2,0,0]=4 16760 B12R1.32 COCC(C)NC1CCCCC1 34a_100000182618_100000765312 [0,1,0,1,0,0|2,0,0]=4 16761 B12R1.32 COCC(C)OC1CCCCC1 34a_100000210231_100000765312 [0,1,0,1,0,0|2,0,0]=4 16762 B12R1.32 COCC(C)OC1CCCCC1 7a_100000210231_100000765312 [0,1,0,1,0,0|2,0,0]=4 16763 B12R1.32 COCC(C)SC1CCCCC1 62a_100000210327_100000765312 [0,1,0,1,0,0|2,0,0]=4 16764 B12R1.32 COCC(C)SC1CCCCC1 62a_100000765312_100000210327 [0,1,0,1,0,0|2,0,0]=4 16765 B12R1.32 COCC(O)CN1CCCOC1 34a_100000131196_100011215053 [0,1,0,1,0,0|2,0,0]=4 16766 B12R1.32 COCC(O)CN1CCOCC1 34a_100015191051_100011215053 [0,1,0,1,0,0|2,0,0]=4 16767 B12R1.32 COCN(C)CC1CCCCC1 2230a_100000736448_100000766300 [0,1,0,1,0,0|2,0,0]=4 16768 B12R1.32 COCN(C)CC1CCCCC1 269982a_100000736448_100000766300 [0,1,0,1,0,0|2,0,0]=4 16769 B12R1.32 COC[C@@H](C)NC1CCCCC1 270004a_100000764878_100000210434 [0,1,0,1,0,0|2,0,0]=4 16770 B12R1.32 COC[C@@H](C)OC1CCCCC1 34a_100011934205_100000210327 [0,1,0,1,0,0|2,0,0]=4 16771 B12R1.32 COC[C@@H](N)CC1CCCCC1 34a_100015184289_200000210301 [0,1,0,1,0,0|1,0,0]=3 16772 B12R1.32 CSCC(=O)CC1CCCCC1 1458a_100000184570_100000211423 [0,1,0,1,0,0|0,0,2]=4 16773 B12R1.32 CSCC(C)NC1CCCCC1 270004a_100000182618_100011216314 [0,1,0,1,0,0|2,0,0]=4 16774 B12R1.32 CSCN(C)CC1CCCCC1 2230a_100000736448_100011218213 [0,1,0,1,0,0|2,0,0]=4 16775 B12R1.32 CSCN(C)CC1CCCCC1 269982a_100000736448_100011218213 [0,1,0,1,0,0|2,0,0]=4 16776 B12R1.32 CSCN(C)CC1CCCCC1 34a_100000736448_100011218213 [0,1,0,1,0,0|2,0,0]=4 16777 B12R1.32 C[C@H](CCO)NC1CCCCC1 270004a_100000706166_100000210434 [0,1,0,1,0,0|2,0,0]=4 16778 B12R1.32 C[C@H](CCO)NC1CCCCC1 34a_100000706166_100000210327 [0,1,0,1,0,0|2,0,0]=4 16779 B12R1.32 O=C(CCF)CC1CCCCC1 1458a_100000211666_100011217306 [0,1,0,1,0,0|0,0,2]=4 16780 B12R1.32 O=C(CCO)CC1CCCCC1 1458a_100000211666_100000211926 [0,1,0,1,0,0|0,0,2]=4 16781 B12R1.32 O=C(CCO)CC1CCCCC1 1458a_100011216618_100000211423 [0,1,0,1,0,0|0,0,2]=4 16782 B12R1.32 [13CH3]NCC(O)CN1CCOCC1 2230a_100000195491_200025704644 [0,1,0,1,0,0|2,0,0]=4 16783 B12R1.32 [13CH3]NC[C@H](O)CN1CCCCC1 2230a_100015205997_200025704644 [0,1,0,1,0,0|1,0,0]=3 16784 B12R1.32 [13CH3]OC[C@@H](N)CC1CCCCC1 34a_100015184289_200025704644 [0,1,0,1,0,0|1,0,0]=3 16785 B12R1.37 BrCCCCCOC1CCOC1 34a_100000746331_100000690089 [0,1,0,1,0,0|2,0,0]=4 16786 B12R1.37 BrCCCCCOC1CCOC1 7a_100000746331_100000731011 [0,1,0,1,0,0|2,0,0]=4 16787 B12R1.37 BrCCCCOCC1CCOC1 34a_100011216708_100011261433 [0,1,0,1,0,0|2,0,0]=4 16788 B12R1.37 BrCCCCOCC1OCCO1 34a_100011216708_100000755774 [0,1,0,1,0,0|2,0,0]=4 16789 B12R1.37 BrCCCOCCC1OCCO1 34a_100011217188_100000740749 [0,1,0,1,0,0|2,0,0]=4 16790 B12R1.37 BrCCOCCCC1OCCO1 34a_100000211926_100009861162 [0,1,0,1,0,0|2,0,0]=4 16791 B12R1.37 CCCCCCCN1CCCC1 2230a_100000188435_100000210681 [0,1,0,1,0,0|2,0,0]=4 16792 B12R1.37 CCCCCCCN1CCCC1 269982a_100000188435_100000210681 [0,1,0,1,0,0|2,0,0]=4 16793 B12R1.37 CCCCCCCN1CCSC1 2230a_100011215254_100000210681 [0,1,0,1,0,0|1,1,0]=4 16794 B12R1.37 CCCCCCCN1CCSC1 269982a_100011215254_100000210681 [0,1,0,1,0,0|1,1,0]=4 16795 B12R1.37 CCCCCCNC1CCCC1 2230a_100000210581_100000179811 [0,1,0,1,0,0|2,0,0]=4 16796 B12R1.37 CCCCCCNC1CCCC1 2230a_100000211070_100000210314 [0,1,0,1,0,0|2,0,0]=4 16797 B12R1.37 CCCCCCNC1CCCC1 270004a_100000210581_100000210133 [0,1,0,1,0,0|2,0,0]=4 16798 B12R1.37 CCCCCCNC1CCCC1 34a_100000211070_100000210314 [0,1,0,1,0,0|2,0,0]=4 16799 B12R1.37 CCCCCCNC1CCOC1 2230a_100000210581_100000731011 [0,1,0,1,0,0|1,0,0]=3 16800 B12R1.37 CCCCCCNC1CCOC1 270004a_100000210581_100000752484 [0,1,0,1,0,0|1,0,0]=3 16801 B12R1.37 CCCCCCNC1CCSC1 270004a_100000210581_100000212027 [0,1,0,1,0,0|1,1,0]=4 16802 B12R1.37 CCCCCCN[C@@H]1CCOC1 2230a_200015188469_100000210314 [0,1,0,1,0,0|1,0,0]=3 16803 B12R1.37 CCCCCCN[C@H]1CCOC1 2230a_100015188467_100000210314 [0,1,0,1,0,0|1,0,0]=3 16804 B12R1.37 CCCCCCN[C@H]1CCOC1 34a_100015188467_100000210314 [0,1,0,1,0,0|1,0,0]=3 16805 B12R1.37 CCCCCCOC1CCCC1 34a_100000210259_100000179811 [0,1,0,1,0,0|2,0,0]=4 16806 B12R1.37 CCCCCCOC1CCCC1 34a_100000210269_100000210314 [0,1,0,1,0,0|2,0,0]=4 16807 B12R1.37 CCCCCCOC1CCCC1 7a_100000210259_100000179811 [0,1,0,1,0,0|2,0,0]=4 16808 B12R1.37 CCCCCCOC1CCCC1 7a_100000210269_100000210314 [0,1,0,1,0,0|2,0,0]=4 16809 B12R1.37 CCCCCCOC1CCCO1 34a_100000085407_100000210314 [0,1,0,1,0,0|1,0,0]=3 16810 B12R1.37 CCCCCCOC1CCOC1 34a_100000210259_100000690089 [0,1,0,1,0,0|1,0,0]=3 16811 B12R1.37 CCCCCCOC1CCOC1 7a_100000210259_100000731011 [0,1,0,1,0,0|1,0,0]=3 16812 B12R1.37 CCCCCCOC1CCSC1 7a_100011232664_100000210314 [0,1,0,1,0,0|1,1,0]=4 16813 B12R1.37 CCCCCCO[C@H]1CCOC1 34a_100000717292_100000210314 [0,1,0,1,0,0|1,0,0]=3 16814 B12R1.37 CCCCCCSC1CCCC1 62a_100000210314_100000179811 [0,1,0,1,0,0|2,0,0]=4 16815 B12R1.37 CCCCCCSC1CCCC1 62a_100011217020_100000210757 [0,1,0,1,0,0|2,0,0]=4 16816 B12R1.37 CCCCCCSC1CCOC1 62a_100000210314_100000690089 [0,1,0,1,0,0|1,0,0]=3 16817 B12R1.37 CCCCCNCC1CCCC1 2230a_100000209983_100000740388 [0,1,0,1,0,0|2,0,0]=4 16818 B12R1.37 CCCCCNCC1CCCC1 2230a_100000737975_100000210326 [0,1,0,1,0,0|2,0,0]=4 16819 B12R1.37 CCCCCNCC1CCCC1 269862a_100000209983_100000746403 [0,1,0,1,0,0|2,0,0]=4 16820 B12R1.37 CCCCCNCC1CCCC1 34a_100000737975_100000718602 [0,1,0,1,0,0|2,0,0]=4 16821 B12R1.37 CCCCCNCC1CCCO1 2230a_100000209983_100000203698 [0,1,0,1,0,0|1,0,0]=3 16822 B12R1.37 CCCCCNCC1CCOC1 2230a_100000209983_100000702531 [0,1,0,1,0,0|1,0,0]=3 16823 B12R1.37 CCCCCNCC1CCOC1 2230a_100000737293_100000210326 [0,1,0,1,0,0|1,0,0]=3 16824 B12R1.37 CCCCCNCC1CCOC1 34a_100000737293_100000718602 [0,1,0,1,0,0|1,0,0]=3 16825 B12R1.37 CCCCCNCC1OCCO1 2230a_100000036311_100000210326 [0,1,0,1,0,0|1,0,0]=3 16826 B12R1.37 CCCCCNCC1OCCO1 2230a_100000209983_100000755774 [0,1,0,1,0,0|1,0,0]=3 16827 B12R1.37 CCCCCNCC1OCCO1 34a_100000036311_100000718602 [0,1,0,1,0,0|1,0,0]=3 16828 B12R1.37 CCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210326 [0,1,0,1,0,0|1,0,0]=3 16829 B12R1.37 CCCCCNC[C@@H]1CCCO1 34a_100020590478_100000718602 [0,1,0,1,0,0|1,0,0]=3 16830 B12R1.37 CCCCCOCC1CCCC1 34a_100000210253_100000740388 [0,1,0,1,0,0|2,0,0]=4 16831 B12R1.37 CCCCCOCC1CCCC1 34a_100000742336_100000718602 [0,1,0,1,0,0|2,0,0]=4 16832 B12R1.37 CCCCCOCC1CCCC1 7a_100000210253_100000740388 [0,1,0,1,0,0|2,0,0]=4 16833 B12R1.37 CCCCCOCC1CCCC1 7a_100000742336_100000210326 [0,1,0,1,0,0|2,0,0]=4 16834 B12R1.37 CCCCCOCC1CCCO1 34a_100000210270_100000718602 [0,1,0,1,0,0|1,0,0]=3 16835 B12R1.37 CCCCCOCC1CCCO1 7a_100000210253_100000203698 [0,1,0,1,0,0|1,0,0]=3 16836 B12R1.37 CCCCCOCC1CCCO1 7a_100000210270_100000210326 [0,1,0,1,0,0|1,0,0]=3 16837 B12R1.37 CCCCCOCC1CCNC1 34a_100000748654_100000718602 [0,1,0,1,0,0|2,0,0]=4 16838 B12R1.37 CCCCCOCC1CCOC1 34a_100000210253_100011261433 [0,1,0,1,0,0|1,0,0]=3 16839 B12R1.37 CCCCCOCC1CCOC1 34a_100000740260_100000718602 [0,1,0,1,0,0|1,0,0]=3 16840 B12R1.37 CCCCCOCC1CCOC1 7a_100000210253_100000702531 [0,1,0,1,0,0|1,0,0]=3 16841 B12R1.37 CCCCCOCC1COCO1 34a_100011216627_100000718602 [0,1,0,1,0,0|1,0,0]=3 16842 B12R1.37 CCCCCOCC1OCCO1 34a_100000087154_100000718602 [0,1,0,1,0,0|1,0,0]=3 16843 B12R1.37 CCCCCOCC1OCCO1 34a_100000210253_100000755774 [0,1,0,1,0,0|1,0,0]=3 16844 B12R1.37 CCCCCOCC1OCCO1 7a_100000210253_100000755774 [0,1,0,1,0,0|1,0,0]=3 16845 B12R1.37 CCCCCOC[C@H]1CCCN1 34a_100000745186_100000718602 [0,1,0,1,0,0|2,0,0]=4 16846 B12R1.37 CCCCCSCC1CCCC1 62a_100000210326_100000740388 [0,1,0,1,0,0|2,0,0]=4 16847 B12R1.37 CCCCCSCC1CCCC1 62a_100000740388_100000210326 [0,1,0,1,0,0|2,0,0]=4 16848 B12R1.37 CCCCCSCC1CCCO1 62a_100000203698_100000210326 [0,1,0,1,0,0|1,0,0]=3 16849 B12R1.37 CCCCCSCC1CCCO1 62a_100000210326_100000203698 [0,1,0,1,0,0|1,0,0]=3 16850 B12R1.37 CCCCCSCC1CCOC1 62a_100000210326_100000702531 [0,1,0,1,0,0|1,0,0]=3 16851 B12R1.37 CCCCCSCC1CCOC1 62a_100000702531_100000210326 [0,1,0,1,0,0|1,0,0]=3 16852 B12R1.37 CCCCCSCC1OCCO1 62a_100000210326_100000755774 [0,1,0,1,0,0|1,0,0]=3 16853 B12R1.37 CCCCCSCC1OCCO1 62a_100000755774_100000210326 [0,1,0,1,0,0|1,0,0]=3 16854 B12R1.37 CCCCNCCC1CCCC1 2230a_100000102301_100000760354 [0,1,0,1,0,0|2,0,0]=4 16855 B12R1.37 CCCCNCCC1CCCC1 2230a_100000739158_100000210211 [0,1,0,1,0,0|2,0,0]=4 16856 B12R1.37 CCCCNCCC1CCCC1 34a_100000739158_100000210210 [0,1,0,1,0,0|2,0,0]=4 16857 B12R1.37 CCCCNCCC1CCCC1 7a_106832991798_100000760354 [0,1,0,1,0,0|2,0,0]=4 16858 B12R1.37 CCCCNCCC1OCCO1 2230a_100000034215_100000210211 [0,1,0,1,0,0|1,0,0]=3 16859 B12R1.37 CCCCNCCC1OCCO1 2230a_100000102301_100000740749 [0,1,0,1,0,0|1,0,0]=3 16860 B12R1.37 CCCCNCCC1OCCO1 34a_100000034215_100000210210 [0,1,0,1,0,0|1,0,0]=3 16861 B12R1.37 CCCCNCCC1OCCO1 7a_106832991798_100000740749 [0,1,0,1,0,0|1,0,0]=3 16862 B12R1.37 CCCCOCCC1CCCC1 34a_100000210227_100000760354 [0,1,0,1,0,0|2,0,0]=4 16863 B12R1.37 CCCCOCCC1CCCC1 34a_100000749090_100000210210 [0,1,0,1,0,0|2,0,0]=4 16864 B12R1.37 CCCCOCCC1CCCC1 7a_100000210227_100000760354 [0,1,0,1,0,0|2,0,0]=4 16865 B12R1.37 CCCCOCCC1CCCC1 7a_100000749090_100000210211 [0,1,0,1,0,0|2,0,0]=4 16866 B12R1.37 CCCCOCCC1CCNC1 34a_100016987287_100000210210 [0,1,0,1,0,0|2,0,0]=4 16867 B12R1.37 CCCCOCCC1CCOC1 34a_100011879284_100000210210 [0,1,0,1,0,0|1,0,0]=3 16868 B12R1.37 CCCCOCCC1OCCO1 34a_100000210227_100000740749 [0,1,0,1,0,0|1,0,0]=3 16869 B12R1.37 CCCCOCCC1OCCO1 7a_100000210227_100000740749 [0,1,0,1,0,0|1,0,0]=3 16870 B12R1.37 CCCCOCN[C@@H]1CCOC1 2230a_200015188469_100011995733 [0,1,0,1,0,0|2,0,0]=4 16871 B12R1.37 CCCCOCN[C@H]1CCOC1 2230a_100015188467_100011995733 [0,1,0,1,0,0|2,0,0]=4 16872 B12R1.37 CCCCOCN[C@H]1CCOC1 34a_100015188467_100011995733 [0,1,0,1,0,0|2,0,0]=4 16873 B12R1.37 CCCCOCOC1CCCO1 34a_100000085407_100011995733 [0,1,0,1,0,0|2,0,0]=4 16874 B12R1.37 CCCCOCO[C@H]1CCOC1 34a_100000717292_100011995733 [0,1,0,1,0,0|2,0,0]=4 16875 B12R1.37 CCCCOCSC1CCOC1 62a_100011995733_100000690089 [0,1,0,1,0,0|2,0,0]=4 16876 B12R1.37 CCCCSCCC1CCCC1 62a_100000210211_100000760354 [0,1,0,1,0,0|2,0,0]=4 16877 B12R1.37 CCCCSCCC1CCCC1 62a_100000760354_100000210210 [0,1,0,1,0,0|2,0,0]=4 16878 B12R1.37 CCCCSCCC1OCCO1 62a_100000210211_100000740749 [0,1,0,1,0,0|1,0,0]=3 16879 B12R1.37 CCCNCCCC1CCCC1 2230a_100000736752_100000210303 [0,1,0,1,0,0|2,0,0]=4 16880 B12R1.37 CCCNCCCC1CCCC1 34a_100000736752_100000210303 [0,1,0,1,0,0|2,0,0]=4 16881 B12R1.37 CCCOCCCC1CCCC1 34a_100000210258_100011713738 [0,1,0,1,0,0|2,0,0]=4 16882 B12R1.37 CCCOCCCC1CCCC1 34a_100011215328_100000210303 [0,1,0,1,0,0|2,0,0]=4 16883 B12R1.37 CCCOCCCC1CCCC1 7a_100011215328_100000210303 [0,1,0,1,0,0|2,0,0]=4 16884 B12R1.37 CCCOCCCC1OCCO1 34a_100000210258_100009861162 [0,1,0,1,0,0|1,0,0]=3 16885 B12R1.37 CCCOCCCC1OCCO1 34a_100009871617_100000210303 [0,1,0,1,0,0|1,0,0]=3 16886 B12R1.37 CCCOCCCC1OCCO1 7a_100009871617_100000210303 [0,1,0,1,0,0|1,0,0]=3 16887 B12R1.37 CCCOCCNC1CCOC1 2230a_100161115042_100000731011 [0,1,0,1,0,0|2,0,0]=4 16888 B12R1.37 CCCOCCNC1CCOC1 270004a_100161115042_100000752484 [0,1,0,1,0,0|2,0,0]=4 16889 B12R1.37 CCCOCCNC1CCOC1 34a_100161115042_100000690089 [0,1,0,1,0,0|2,0,0]=4 16890 B12R1.37 CCCOCCN[C@@H]1CCOC1 2230a_200015188469_100011215938 [0,1,0,1,0,0|2,0,0]=4 16891 B12R1.37 CCCOCCN[C@H]1CCOC1 2230a_100015188467_100011215938 [0,1,0,1,0,0|2,0,0]=4 16892 B12R1.37 CCCOCCN[C@H]1CCOC1 34a_100015188467_100011215938 [0,1,0,1,0,0|2,0,0]=4 16893 B12R1.37 CCCOCCOC1CCCO1 34a_100000085407_100011215938 [0,1,0,1,0,0|2,0,0]=4 16894 B12R1.37 CCCOCCOC1CCOC1 34a_100000752267_100000690089 [0,1,0,1,0,0|2,0,0]=4 16895 B12R1.37 CCCOCCOC1CCOC1 7a_100000752267_100000731011 [0,1,0,1,0,0|2,0,0]=4 16896 B12R1.37 CCCOCCO[C@H]1CCOC1 34a_100000717292_100011215938 [0,1,0,1,0,0|2,0,0]=4 16897 B12R1.37 CCCOCCSC1CCOC1 62a_100011215938_100000690089 [0,1,0,1,0,0|2,0,0]=4 16898 B12R1.37 CCCSCCCC1CCCC1 62a_100000210303_100011713738 [0,1,0,1,0,0|2,0,0]=4 16899 B12R1.37 CCCSCCCC1CCCC1 62a_100011713738_100000210303 [0,1,0,1,0,0|2,0,0]=4 16900 B12R1.37 CCCSCCCC1OCCO1 62a_100000210303_100000042513 [0,1,0,1,0,0|1,0,0]=3 16901 B12R1.37 CCCSCCNC1CCOC1 2230a_100020603323_100000731011 [0,1,0,1,0,0|2,0,0]=4 16902 B12R1.37 CCCSCCNC1CCOC1 270004a_100020603323_100000752484 [0,1,0,1,0,0|2,0,0]=4 16903 B12R1.37 CCCSCCOC1CCOC1 34a_200000230433_100000690089 [0,1,0,1,0,0|2,0,0]=4 16904 B12R1.37 CCCSCCOC1CCOC1 7a_200000230433_100000731011 [0,1,0,1,0,0|2,0,0]=4 16905 B12R1.37 CCNCCCCC1OCCO1 2230a_100015525214_100000034956 [0,1,0,1,0,0|1,0,0]=3 16906 B12R1.37 CCOCCCCC1OCCO1 34a_100121572206_200009813554 [0,1,0,1,0,0|1,0,0]=3 16907 B12R1.37 CCOCCCNC1CCOC1 2230a_100000210961_100000731011 [0,1,0,1,0,0|2,0,0]=4 16908 B12R1.37 CCOCCCNC1CCOC1 270004a_100000210961_100000752484 [0,1,0,1,0,0|2,0,0]=4 16909 B12R1.37 CCOCCCNC1CCOC1 34a_100000210961_100000690089 [0,1,0,1,0,0|2,0,0]=4 16910 B12R1.37 CCOCCCN[C@@H]1CCOC1 2230a_200015188469_100012232248 [0,1,0,1,0,0|2,0,0]=4 16911 B12R1.37 CCOCCCN[C@H]1CCOC1 2230a_100015188467_100012232248 [0,1,0,1,0,0|2,0,0]=4 16912 B12R1.37 CCOCCCN[C@H]1CCOC1 34a_100015188467_100012232248 [0,1,0,1,0,0|2,0,0]=4 16913 B12R1.37 CCOCCCOC1CCCO1 34a_100000085407_100012232248 [0,1,0,1,0,0|2,0,0]=4 16914 B12R1.37 CCOCCCOC1CCOC1 34a_100000757476_100000690089 [0,1,0,1,0,0|2,0,0]=4 16915 B12R1.37 CCOCCCOC1CCOC1 7a_100000757476_100000731011 [0,1,0,1,0,0|2,0,0]=4 16916 B12R1.37 CCOCCCO[C@H]1CCOC1 34a_100000717292_100012232248 [0,1,0,1,0,0|2,0,0]=4 16917 B12R1.37 CCOCCCSC1CCOC1 62a_100012232248_100000690089 [0,1,0,1,0,0|2,0,0]=4 16918 B12R1.37 CCOCCNCC1CCCO1 2230a_102516460346_100000203698 [0,1,0,1,0,0|2,0,0]=4 16919 B12R1.37 CCOCCNCC1CCOC1 2230a_100000737293_100011215890 [0,1,0,1,0,0|2,0,0]=4 16920 B12R1.37 CCOCCNCC1CCOC1 2230a_102516460346_100000702531 [0,1,0,1,0,0|2,0,0]=4 16921 B12R1.37 CCOCCNCC1CCOC1 34a_100000737293_100000210147 [0,1,0,1,0,0|2,0,0]=4 16922 B12R1.37 CCOCCNCC1CCOC1 34a_102516460346_100011261433 [0,1,0,1,0,0|2,0,0]=4 16923 B12R1.37 CCOCCNCC1OCCO1 2230a_100000036311_100011215890 [0,1,0,1,0,0|2,0,0]=4 16924 B12R1.37 CCOCCNCC1OCCO1 2230a_102516460346_100000755774 [0,1,0,1,0,0|2,0,0]=4 16925 B12R1.37 CCOCCNCC1OCCO1 34a_100000036311_100000210147 [0,1,0,1,0,0|2,0,0]=4 16926 B12R1.37 CCOCCNCC1OCCO1 34a_102516460346_100000755774 [0,1,0,1,0,0|2,0,0]=4 16927 B12R1.37 CCOCCNC[C@@H]1CCCO1 2230a_100020590478_100011215890 [0,1,0,1,0,0|2,0,0]=4 16928 B12R1.37 CCOCCNC[C@@H]1CCCO1 34a_100020590478_100000210147 [0,1,0,1,0,0|2,0,0]=4 16929 B12R1.37 CCOCCOCC1CCCO1 34a_100000210270_100000210147 [0,1,0,1,0,0|2,0,0]=4 16930 B12R1.37 CCOCCOCC1CCCO1 7a_100000210136_100000203698 [0,1,0,1,0,0|2,0,0]=4 16931 B12R1.37 CCOCCOCC1CCCO1 7a_100000210270_100011215890 [0,1,0,1,0,0|2,0,0]=4 16932 B12R1.37 CCOCCOCC1CCOC1 34a_100000210136_100011261433 [0,1,0,1,0,0|2,0,0]=4 16933 B12R1.37 CCOCCOCC1CCOC1 34a_100000740260_100000210147 [0,1,0,1,0,0|2,0,0]=4 16934 B12R1.37 CCOCCOCC1CCOC1 7a_100000210136_100000702531 [0,1,0,1,0,0|2,0,0]=4 16935 B12R1.37 CCOCCOCC1COCO1 34a_100011216627_100000210147 [0,1,0,1,0,0|2,0,0]=4 16936 B12R1.37 CCOCCOCC1OCCO1 34a_100000087154_100000210147 [0,1,0,1,0,0|2,0,0]=4 16937 B12R1.37 CCOCCOCC1OCCO1 34a_100000210136_100000755774 [0,1,0,1,0,0|2,0,0]=4 16938 B12R1.37 CCOCCOCC1OCCO1 7a_100000210136_100000755774 [0,1,0,1,0,0|2,0,0]=4 16939 B12R1.37 CCOCCSCC1CCCO1 62a_100000203698_100011215890 [0,1,0,1,0,0|2,0,0]=4 16940 B12R1.37 CCOCCSCC1CCCO1 62a_100000210147_100000203698 [0,1,0,1,0,0|2,0,0]=4 16941 B12R1.37 CCOCCSCC1CCOC1 62a_100000210147_100000702531 [0,1,0,1,0,0|2,0,0]=4 16942 B12R1.37 CCOCCSCC1CCOC1 62a_100000702531_100011215890 [0,1,0,1,0,0|2,0,0]=4 16943 B12R1.37 CCOCCSCC1OCCO1 62a_100000210147_100000755774 [0,1,0,1,0,0|2,0,0]=4 16944 B12R1.37 CCOCCSCC1OCCO1 62a_100000755774_100011215890 [0,1,0,1,0,0|2,0,0]=4 16945 B12R1.37 CCOCSCCC1OCCO1 62a_100000739092_100000740749 [0,1,0,1,0,0|2,0,0]=4 16946 B12R1.37 CCSCCCCC1OCCO1 62a_100000210202_100000034956 [0,1,0,1,0,0|1,0,0]=3 16947 B12R1.37 CCSCCCOC1CCOC1 34a_100011216438_100000690089 [0,1,0,1,0,0|2,0,0]=4 16948 B12R1.37 CCSCCCOC1CCOC1 7a_100011216438_100000731011 [0,1,0,1,0,0|2,0,0]=4 16949 B12R1.37 CCSCCNCC1CCCO1 2230a_100000106463_100000203698 [0,1,0,1,0,0|2,0,0]=4 16950 B12R1.37 CCSCCNCC1CCOC1 2230a_100000106463_100000702531 [0,1,0,1,0,0|2,0,0]=4 16951 B12R1.37 CCSCCNCC1CCOC1 2230a_100000737293_100000757381 [0,1,0,1,0,0|2,0,0]=4 16952 B12R1.37 CCSCCNCC1CCOC1 34a_100000737293_100000757381 [0,1,0,1,0,0|2,0,0]=4 16953 B12R1.37 CCSCCNCC1OCCO1 2230a_100000036311_100000757381 [0,1,0,1,0,0|2,0,0]=4 16954 B12R1.37 CCSCCNCC1OCCO1 2230a_100000106463_100000755774 [0,1,0,1,0,0|2,0,0]=4 16955 B12R1.37 CCSCCNCC1OCCO1 34a_100000036311_100000757381 [0,1,0,1,0,0|2,0,0]=4 16956 B12R1.37 CCSCCNC[C@@H]1CCCO1 2230a_100020590478_100000757381 [0,1,0,1,0,0|2,0,0]=4 16957 B12R1.37 CCSCCNC[C@@H]1CCCO1 34a_100020590478_100000757381 [0,1,0,1,0,0|2,0,0]=4 16958 B12R1.37 CCSCCOCC1CCCO1 34a_100000210270_100000757381 [0,1,0,1,0,0|2,0,0]=4 16959 B12R1.37 CCSCCOCC1CCCO1 7a_100000210270_100000757381 [0,1,0,1,0,0|2,0,0]=4 16960 B12R1.37 CCSCCOCC1CCCO1 7a_100000212035_100000203698 [0,1,0,1,0,0|2,0,0]=4 16961 B12R1.37 CCSCCOCC1CCOC1 34a_100000212035_100011261433 [0,1,0,1,0,0|2,0,0]=4 16962 B12R1.37 CCSCCOCC1CCOC1 34a_100000740260_100000757381 [0,1,0,1,0,0|2,0,0]=4 16963 B12R1.37 CCSCCOCC1CCOC1 7a_100000212035_100000702531 [0,1,0,1,0,0|2,0,0]=4 16964 B12R1.37 CCSCCOCC1COCO1 34a_100011216627_100000757381 [0,1,0,1,0,0|2,0,0]=4 16965 B12R1.37 CCSCCOCC1OCCO1 34a_100000087154_100000757381 [0,1,0,1,0,0|2,0,0]=4 16966 B12R1.37 CCSCCOCC1OCCO1 34a_100000212035_100000755774 [0,1,0,1,0,0|2,0,0]=4 16967 B12R1.37 CCSCCOCC1OCCO1 7a_100000212035_100000755774 [0,1,0,1,0,0|2,0,0]=4 16968 B12R1.37 CCSCCSCC1CCCO1 62a_100000203698_100000757381 [0,1,0,1,0,0|2,0,0]=4 16969 B12R1.37 CCSCCSCC1CCCO1 62a_100000757381_100000203698 [0,1,0,1,0,0|2,0,0]=4 16970 B12R1.37 CCSCCSCC1CCOC1 62a_100000702531_100000757381 [0,1,0,1,0,0|2,0,0]=4 16971 B12R1.37 CCSCCSCC1CCOC1 62a_100000757381_100000702531 [0,1,0,1,0,0|2,0,0]=4 16972 B12R1.37 CCSCCSCC1OCCO1 62a_100000755774_100000757381 [0,1,0,1,0,0|2,0,0]=4 16973 B12R1.37 CCSCCSCC1OCCO1 62a_100000757381_100000755774 [0,1,0,1,0,0|2,0,0]=4 16974 B12R1.37 CNCCCOCC1CCOC1 34a_100000213112_100011261433 [0,1,0,1,0,0|2,0,0]=4 16975 B12R1.37 CNCCCOCC1OCCO1 34a_100000213112_100000755774 [0,1,0,1,0,0|2,0,0]=4 16976 B12R1.37 COCCCCN[C@@H]1CCOC1 2230a_200015188469_100000730899 [0,1,0,1,0,0|2,0,0]=4 16977 B12R1.37 COCCCCN[C@H]1CCOC1 2230a_100015188467_100000730899 [0,1,0,1,0,0|2,0,0]=4 16978 B12R1.37 COCCCCN[C@H]1CCOC1 34a_100015188467_100000755781 [0,1,0,1,0,0|2,0,0]=4 16979 B12R1.37 COCCCCOC1CCCO1 34a_100000085407_100000755781 [0,1,0,1,0,0|2,0,0]=4 16980 B12R1.37 COCCCCOC1CCCO1 34a_100011018183_200000210301 [0,1,0,1,0,0|2,0,0]=4 16981 B12R1.37 COCCCCOC1CCCO1 7a_100011018183_200000210301 [0,1,0,1,0,0|2,0,0]=4 16982 B12R1.37 COCCCCOC1CCOC1 34a_100000740925_100000690089 [0,1,0,1,0,0|2,0,0]=4 16983 B12R1.37 COCCCCO[C@H]1CCOC1 34a_100000717292_100000755781 [0,1,0,1,0,0|2,0,0]=4 16984 B12R1.37 COCCCCSC1CCOC1 62a_100000730899_100000690089 [0,1,0,1,0,0|2,0,0]=4 16985 B12R1.37 COCCCNCC1CCOC1 2230a_100000737293_100000740836 [0,1,0,1,0,0|2,0,0]=4 16986 B12R1.37 COCCCNCC1CCOC1 34a_100000737293_100000740836 [0,1,0,1,0,0|2,0,0]=4 16987 B12R1.37 COCCCNCC1CCOC1 34a_100150723488_100011261433 [0,1,0,1,0,0|2,0,0]=4 16988 B12R1.37 COCCCNCC1OCCO1 2230a_100000036311_100000740836 [0,1,0,1,0,0|2,0,0]=4 16989 B12R1.37 COCCCNCC1OCCO1 34a_100000036311_100000740836 [0,1,0,1,0,0|2,0,0]=4 16990 B12R1.37 COCCCNCC1OCCO1 34a_100150723488_100000755774 [0,1,0,1,0,0|2,0,0]=4 16991 B12R1.37 COCCCNC[C@@H]1CCCO1 2230a_100020590478_100000740836 [0,1,0,1,0,0|2,0,0]=4 16992 B12R1.37 COCCCNC[C@@H]1CCCO1 34a_100020590478_100000740836 [0,1,0,1,0,0|2,0,0]=4 16993 B12R1.37 COCCCOCC1CCCO1 34a_100000210270_100000740836 [0,1,0,1,0,0|2,0,0]=4 16994 B12R1.37 COCCCOCC1CCCO1 7a_100000210270_100000740836 [0,1,0,1,0,0|2,0,0]=4 16995 B12R1.37 COCCCOCC1CCOC1 34a_100000740260_100000740836 [0,1,0,1,0,0|2,0,0]=4 16996 B12R1.37 COCCCOCC1CCOC1 34a_100000740835_100011261433 [0,1,0,1,0,0|2,0,0]=4 16997 B12R1.37 COCCCOCC1COCO1 34a_100011216627_100000740836 [0,1,0,1,0,0|2,0,0]=4 16998 B12R1.37 COCCCOCC1OCCO1 34a_100000087154_100000740836 [0,1,0,1,0,0|2,0,0]=4 16999 B12R1.37 COCCCOCC1OCCO1 34a_100000740835_100000755774 [0,1,0,1,0,0|2,0,0]=4 17000 B12R1.37 COCCCSCC1CCCO1 62a_100000203698_100000709357 [0,1,0,1,0,0|2,0,0]=4 17001 B12R1.37 COCCCSCC1CCCO1 62a_100000709357_100000203698 [0,1,0,1,0,0|2,0,0]=4 17002 B12R1.37 COCCCSCC1CCOC1 62a_100000702531_100000709357 [0,1,0,1,0,0|2,0,0]=4 17003 B12R1.37 COCCCSCC1CCOC1 62a_100000709357_100000702531 [0,1,0,1,0,0|2,0,0]=4 17004 B12R1.37 COCCCSCC1OCCO1 62a_100000709357_100000755774 [0,1,0,1,0,0|2,0,0]=4 17005 B12R1.37 COCCCSCC1OCCO1 62a_100000755774_100000709357 [0,1,0,1,0,0|2,0,0]=4 17006 B12R1.37 COCCNCCC1OCCO1 2230a_100000034215_100011201679 [0,1,0,1,0,0|2,0,0]=4 17007 B12R1.37 COCCNCCC1OCCO1 2230a_100000209980_100000740749 [0,1,0,1,0,0|2,0,0]=4 17008 B12R1.37 COCCNCCC1OCCO1 34a_100000034215_100011201679 [0,1,0,1,0,0|2,0,0]=4 17009 B12R1.37 COCCOCCC1CCOC1 34a_100011879284_100011201679 [0,1,0,1,0,0|2,0,0]=4 17010 B12R1.37 COCCOCCC1OCCO1 34a_100000210237_100000740749 [0,1,0,1,0,0|2,0,0]=4 17011 B12R1.37 COCCSCCC1OCCO1 62a_100000233755_100000740749 [0,1,0,1,0,0|2,0,0]=4 17012 B12R1.37 COCSCCCC1OCCO1 62a_100000766300_100000042513 [0,1,0,1,0,0|2,0,0]=4 17013 B12R1.37 CSCCCCOC1CCOC1 34a_100011217163_100000690089 [0,1,0,1,0,0|2,0,0]=4 17014 B12R1.37 CSCCCCOC1CCOC1 7a_100011217163_100000731011 [0,1,0,1,0,0|2,0,0]=4 17015 B12R1.37 CSCCCNCC1CCCO1 2230a_100000749238_100000203698 [0,1,0,1,0,0|2,0,0]=4 17016 B12R1.37 CSCCCNCC1CCOC1 2230a_100000749238_100000702531 [0,1,0,1,0,0|2,0,0]=4 17017 B12R1.37 CSCCCNCC1OCCO1 2230a_100000749238_100000755774 [0,1,0,1,0,0|2,0,0]=4 17018 B12R1.37 CSCCCOCC1CCCO1 7a_100000690336_100000203698 [0,1,0,1,0,0|2,0,0]=4 17019 B12R1.37 CSCCCOCC1CCOC1 34a_100000690336_100011261433 [0,1,0,1,0,0|2,0,0]=4 17020 B12R1.37 CSCCCOCC1CCOC1 7a_100000690336_100000702531 [0,1,0,1,0,0|2,0,0]=4 17021 B12R1.37 CSCCCOCC1OCCO1 34a_100000690336_100000755774 [0,1,0,1,0,0|2,0,0]=4 17022 B12R1.37 CSCCCOCC1OCCO1 7a_100000690336_100000755774 [0,1,0,1,0,0|2,0,0]=4 17023 B12R1.37 CSCCNCCC1OCCO1 2230a_100000034215_100000751147 [0,1,0,1,0,0|2,0,0]=4 17024 B12R1.37 CSCCNCCC1OCCO1 2230a_100020590264_100000740749 [0,1,0,1,0,0|2,0,0]=4 17025 B12R1.37 CSCCNCCC1OCCO1 34a_100000034215_100000212216 [0,1,0,1,0,0|2,0,0]=4 17026 B12R1.37 CSCCOCCC1CCOC1 34a_100011879284_100000212216 [0,1,0,1,0,0|2,0,0]=4 17027 B12R1.37 CSCCOCCC1OCCO1 34a_100000230434_100000740749 [0,1,0,1,0,0|2,0,0]=4 17028 B12R1.37 CSCCOCCC1OCCO1 7a_100000230434_100000740749 [0,1,0,1,0,0|2,0,0]=4 17029 B12R1.37 CSCCSCCC1OCCO1 62a_100000212216_100000740749 [0,1,0,1,0,0|2,0,0]=4 17030 B12R1.37 CSCOCCCC1OCCO1 34a_100009871617_100011218213 [0,1,0,1,0,0|2,0,0]=4 17031 B12R1.37 CSCSCCCC1OCCO1 62a_100011218213_100000042513 [0,1,0,1,0,0|2,0,0]=4 17032 B12R1.37 ClCCCCCOC1CCOC1 34a_100000746330_100000690089 [0,1,0,1,0,0|2,0,0]=4 17033 B12R1.37 ClCCCCCOC1CCOC1 7a_100000746330_100000731011 [0,1,0,1,0,0|2,0,0]=4 17034 B12R1.37 ClCCCCOCC1CCCO1 7a_100000210776_100000203698 [0,1,0,1,0,0|2,0,0]=4 17035 B12R1.37 ClCCCCOCC1CCOC1 34a_100000210776_100011261433 [0,1,0,1,0,0|2,0,0]=4 17036 B12R1.37 ClCCCCOCC1CCOC1 7a_100000210776_100000702531 [0,1,0,1,0,0|2,0,0]=4 17037 B12R1.37 ClCCCCOCC1OCCO1 34a_100000210776_100000755774 [0,1,0,1,0,0|2,0,0]=4 17038 B12R1.37 ClCCCCOCC1OCCO1 7a_100000210776_100000755774 [0,1,0,1,0,0|2,0,0]=4 17039 B12R1.37 ClCCCOCCC1OCCO1 34a_100000230001_100000740749 [0,1,0,1,0,0|2,0,0]=4 17040 B12R1.37 FCCCCCN[C@@H]1CCOC1 2230a_200015188469_100000729378 [0,1,0,1,0,0|2,0,0]=4 17041 B12R1.37 FCCCCCN[C@H]1CCOC1 2230a_100015188467_100000729378 [0,1,0,1,0,0|2,0,0]=4 17042 B12R1.37 FCCCCCN[C@H]1CCOC1 34a_100015188467_100000729378 [0,1,0,1,0,0|2,0,0]=4 17043 B12R1.37 FCCCCCOC1CCCO1 34a_100000085407_100000729378 [0,1,0,1,0,0|2,0,0]=4 17044 B12R1.37 FCCCCCO[C@H]1CCOC1 34a_100000717292_100000729378 [0,1,0,1,0,0|2,0,0]=4 17045 B12R1.37 FCCCCCSC1CCOC1 62a_100000729378_100000690089 [0,1,0,1,0,0|2,0,0]=4 17046 B12R1.37 FCCCCNCC1CCOC1 2230a_100000737293_100000729493 [0,1,0,1,0,0|2,0,0]=4 17047 B12R1.37 FCCCCNCC1CCOC1 34a_100000737293_100000729493 [0,1,0,1,0,0|2,0,0]=4 17048 B12R1.37 FCCCCNCC1OCCO1 2230a_100000036311_100000729493 [0,1,0,1,0,0|2,0,0]=4 17049 B12R1.37 FCCCCNCC1OCCO1 34a_100000036311_100000729493 [0,1,0,1,0,0|2,0,0]=4 17050 B12R1.37 FCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000729493 [0,1,0,1,0,0|2,0,0]=4 17051 B12R1.37 FCCCCNC[C@@H]1CCCO1 34a_100020590478_100000729493 [0,1,0,1,0,0|2,0,0]=4 17052 B12R1.37 FCCCCOCC1CCCO1 34a_100000210270_100000729493 [0,1,0,1,0,0|2,0,0]=4 17053 B12R1.37 FCCCCOCC1CCCO1 7a_100000210270_100000729493 [0,1,0,1,0,0|2,0,0]=4 17054 B12R1.37 FCCCCOCC1CCCO1 7a_100011995726_100000203698 [0,1,0,1,0,0|2,0,0]=4 17055 B12R1.37 FCCCCOCC1CCOC1 34a_100000740260_100000729493 [0,1,0,1,0,0|2,0,0]=4 17056 B12R1.37 FCCCCOCC1CCOC1 34a_100011995726_100011261433 [0,1,0,1,0,0|2,0,0]=4 17057 B12R1.37 FCCCCOCC1CCOC1 7a_100011995726_100000702531 [0,1,0,1,0,0|2,0,0]=4 17058 B12R1.37 FCCCCOCC1COCO1 34a_100011216627_100000729493 [0,1,0,1,0,0|2,0,0]=4 17059 B12R1.37 FCCCCOCC1OCCO1 34a_100000087154_100000729493 [0,1,0,1,0,0|2,0,0]=4 17060 B12R1.37 FCCCCOCC1OCCO1 34a_100011995726_100000755774 [0,1,0,1,0,0|2,0,0]=4 17061 B12R1.37 FCCCCOCC1OCCO1 7a_100011995726_100000755774 [0,1,0,1,0,0|2,0,0]=4 17062 B12R1.37 FCCCCSCC1CCCO1 62a_100000203698_100000729493 [0,1,0,1,0,0|2,0,0]=4 17063 B12R1.37 FCCCCSCC1CCCO1 62a_100000729493_100000203698 [0,1,0,1,0,0|2,0,0]=4 17064 B12R1.37 FCCCCSCC1CCOC1 62a_100000702531_100000729493 [0,1,0,1,0,0|2,0,0]=4 17065 B12R1.37 FCCCCSCC1CCOC1 62a_100000729493_100000702531 [0,1,0,1,0,0|2,0,0]=4 17066 B12R1.37 FCCCCSCC1OCCO1 62a_100000729493_100000755774 [0,1,0,1,0,0|2,0,0]=4 17067 B12R1.37 FCCCCSCC1OCCO1 62a_100000755774_100000729493 [0,1,0,1,0,0|2,0,0]=4 17068 B12R1.37 FCCCNCCC1OCCO1 2230a_100000034215_100011934791 [0,1,0,1,0,0|2,0,0]=4 17069 B12R1.37 FCCCNCCC1OCCO1 2230a_100015189416_100000740749 [0,1,0,1,0,0|2,0,0]=4 17070 B12R1.37 FCCCNCCC1OCCO1 34a_100000034215_100011934791 [0,1,0,1,0,0|2,0,0]=4 17071 B12R1.37 FCCCNCCC1OCCO1 34a_100015189416_100000740749 [0,1,0,1,0,0|2,0,0]=4 17072 B12R1.37 FCCCOCCC1CCOC1 34a_100011879284_100011934791 [0,1,0,1,0,0|2,0,0]=4 17073 B12R1.37 FCCCOCCC1OCCO1 34a_100000759539_100000740749 [0,1,0,1,0,0|2,0,0]=4 17074 B12R1.37 FCCCSCCC1OCCO1 62a_100011934791_100000740749 [0,1,0,1,0,0|2,0,0]=4 17075 B12R1.37 FCCNCCCC1OCCO1 34a_100000724931_100009861162 [0,1,0,1,0,0|2,0,0]=4 17076 B12R1.37 FCCOCCCC1OCCO1 34a_100009871617_100011217306 [0,1,0,1,0,0|2,0,0]=4 17077 B12R1.37 FCCOCCCC1OCCO1 7a_100009871617_100011217306 [0,1,0,1,0,0|2,0,0]=4 17078 B12R1.37 FCCSCCCC1OCCO1 62a_100011217306_100000042513 [0,1,0,1,0,0|2,0,0]=4 17079 B12R1.37 FCSCCCCC1OCCO1 62a_100015361967_100000034956 [0,1,0,1,0,0|2,0,0]=4 17080 B12R1.37 ICCCCCOC1CCOC1 34a_200012148887_100000690089 [0,1,0,1,0,0|2,0,0]=4 17081 B12R1.37 ICCCCCOC1CCOC1 7a_200012148887_100000731011 [0,1,0,1,0,0|2,0,0]=4 17082 B12R1.37 ICCCCOCC1CCOC1 34a_200012148704_100011261433 [0,1,0,1,0,0|2,0,0]=4 17083 B12R1.37 ICCCCOCC1OCCO1 34a_200012148704_100000755774 [0,1,0,1,0,0|2,0,0]=4 17084 B12R1.37 NCCCCCOC1CCOC1 34a_100000762737_100000690089 [0,1,0,1,0,0|2,0,0]=4 17085 B12R1.37 NCCCCOCC1CCOC1 34a_100000750430_100011261433 [0,1,0,1,0,0|2,0,0]=4 17086 B12R1.37 NCCCCOCC1OCCO1 34a_100000750430_100000755774 [0,1,0,1,0,0|2,0,0]=4 17087 B12R1.37 NCCCOCCC1OCCO1 34a_100000182051_100000740749 [0,1,0,1,0,0|2,0,0]=4 17088 B12R1.37 NCCOCCCC1OCCO1 34a_100000210304_100009861162 [0,1,0,1,0,0|2,0,0]=4 17089 B12R1.37 OCCCCCNC1CCOC1 2230a_100000762737_100000731011 [0,1,0,1,0,0|2,0,0]=4 17090 B12R1.37 OCCCCCNC1CCOC1 270004a_100000762737_100000752484 [0,1,0,1,0,0|2,0,0]=4 17091 B12R1.37 OCCCCCNC1CCOC1 34a_100000762737_100000690089 [0,1,0,1,0,0|2,0,0]=4 17092 B12R1.37 OCCCCCN[C@@H]1CCOC1 2230a_200015188469_100000746330 [0,1,0,1,0,0|2,0,0]=4 17093 B12R1.37 OCCCCCN[C@H]1CCOC1 2230a_100015188467_100000746330 [0,1,0,1,0,0|2,0,0]=4 17094 B12R1.37 OCCCCCN[C@H]1CCOC1 34a_100015188467_100000746330 [0,1,0,1,0,0|2,0,0]=4 17095 B12R1.37 OCCCCCOC1CCCO1 34a_100000085407_100000746330 [0,1,0,1,0,0|2,0,0]=4 17096 B12R1.37 OCCCCCO[C@H]1CCOC1 34a_100000717292_100000746330 [0,1,0,1,0,0|2,0,0]=4 17097 B12R1.37 OCCCCCSC1CCOC1 62a_100000746330_100000690089 [0,1,0,1,0,0|2,0,0]=4 17098 B12R1.37 OCCCCNCC1CCCO1 2230a_100000750430_100000203698 [0,1,0,1,0,0|2,0,0]=4 17099 B12R1.37 OCCCCNCC1CCOC1 2230a_100000737293_100000210776 [0,1,0,1,0,0|2,0,0]=4 17100 B12R1.37 OCCCCNCC1CCOC1 2230a_100000750430_100000702531 [0,1,0,1,0,0|2,0,0]=4 17101 B12R1.37 OCCCCNCC1CCOC1 34a_100000737293_100011216708 [0,1,0,1,0,0|2,0,0]=4 17102 B12R1.37 OCCCCNCC1CCOC1 34a_100000750430_100011261433 [0,1,0,1,0,0|2,0,0]=4 17103 B12R1.37 OCCCCNCC1OCCO1 2230a_100000036311_100000210776 [0,1,0,1,0,0|2,0,0]=4 17104 B12R1.37 OCCCCNCC1OCCO1 2230a_100000750430_100000755774 [0,1,0,1,0,0|2,0,0]=4 17105 B12R1.37 OCCCCNCC1OCCO1 34a_100000036311_100011216708 [0,1,0,1,0,0|2,0,0]=4 17106 B12R1.37 OCCCCNCC1OCCO1 34a_100000750430_100000755774 [0,1,0,1,0,0|2,0,0]=4 17107 B12R1.37 OCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210776 [0,1,0,1,0,0|2,0,0]=4 17108 B12R1.37 OCCCCNC[C@@H]1CCCO1 34a_100020590478_100011216708 [0,1,0,1,0,0|2,0,0]=4 17109 B12R1.37 OCCCCOCC1CCCO1 34a_100000210270_100011216708 [0,1,0,1,0,0|2,0,0]=4 17110 B12R1.37 OCCCCOCC1CCCO1 7a_100000210270_100000210776 [0,1,0,1,0,0|2,0,0]=4 17111 B12R1.37 OCCCCOCC1CCOC1 34a_100000740260_100011216708 [0,1,0,1,0,0|2,0,0]=4 17112 B12R1.37 OCCCCOCC1COCO1 34a_100011216627_100011216708 [0,1,0,1,0,0|2,0,0]=4 17113 B12R1.37 OCCCCOCC1OCCO1 34a_100000087154_100011216708 [0,1,0,1,0,0|2,0,0]=4 17114 B12R1.37 OCCCCSCC1CCCO1 62a_100000203698_100000210776 [0,1,0,1,0,0|2,0,0]=4 17115 B12R1.37 OCCCCSCC1CCCO1 62a_100000210776_100000203698 [0,1,0,1,0,0|2,0,0]=4 17116 B12R1.37 OCCCCSCC1CCOC1 62a_100000210776_100000702531 [0,1,0,1,0,0|2,0,0]=4 17117 B12R1.37 OCCCCSCC1CCOC1 62a_100000702531_100000210776 [0,1,0,1,0,0|2,0,0]=4 17118 B12R1.37 OCCCCSCC1OCCO1 62a_100000210776_100000755774 [0,1,0,1,0,0|2,0,0]=4 17119 B12R1.37 OCCCCSCC1OCCO1 62a_100000755774_100000210776 [0,1,0,1,0,0|2,0,0]=4 17120 B12R1.37 OCCCNCCC1OCCO1 2230a_100000034215_100000230001 [0,1,0,1,0,0|2,0,0]=4 17121 B12R1.37 OCCCNCCC1OCCO1 34a_100000034215_100000230001 [0,1,0,1,0,0|2,0,0]=4 17122 B12R1.37 OCCCOCCC1CCOC1 34a_100011879284_100000230001 [0,1,0,1,0,0|2,0,0]=4 17123 B12R1.37 OCCCSCCC1OCCO1 62a_100011215043_100000740749 [0,1,0,1,0,0|2,0,0]=4 17124 B12R1.37 OCCNCCCC1OCCO1 2230a_100016997473_100000042513 [0,1,0,1,0,0|2,0,0]=4 17125 B12R1.37 OCCNCCCC1OCCO1 34a_100016990907_100009861162 [0,1,0,1,0,0|2,0,0]=4 17126 B12R1.37 OCCOCCCC1OCCO1 34a_100009871617_100000211926 [0,1,0,1,0,0|2,0,0]=4 17127 B12R1.37 OCCOCCCC1OCCO1 7a_100009871617_100000211926 [0,1,0,1,0,0|2,0,0]=4 17128 B12R1.37 OCCSCCCC1OCCO1 62a_100000211926_100000042513 [0,1,0,1,0,0|2,0,0]=4 17129 B12R1.37 [13CH3]OCCCCOC1CCCO1 34a_100011018183_200025704644 [0,1,0,1,0,0|2,0,0]=4 17130 B12R1.37 [13CH3]OCCCCOC1CCCO1 7a_100011018183_200025704644 [0,1,0,1,0,0|2,0,0]=4 17131 B12R1.51 CC(CCBr)OCC1CCCC1 34a_100012276601_100000740388 [0,1,0,1,0,0|2,0,0]=4 17132 B12R1.51 CC(CCN)COC1CCCC1 34a_106354213184_100000179811 [0,1,0,1,0,0|2,0,0]=4 17133 B12R1.51 CC(CCO)NCC1CCCC1 2230a_100000737975_100009893172 [0,1,0,1,0,0|2,0,0]=4 17134 B12R1.51 CC(CCO)NCC1CCCC1 34a_100000737975_100009893172 [0,1,0,1,0,0|2,0,0]=4 17135 B12R1.51 CC(CCO)OCC1CCCC1 34a_100000742336_100009893172 [0,1,0,1,0,0|2,0,0]=4 17136 B12R1.51 CC(CCO)OCC1CCCC1 7a_100000742336_100009893172 [0,1,0,1,0,0|2,0,0]=4 17137 B12R1.51 CC(CCO)SCC1CCCC1 62a_100000740388_100009893172 [0,1,0,1,0,0|2,0,0]=4 17138 B12R1.51 CC(CCO)SCC1CCCC1 62a_100009893172_100000740388 [0,1,0,1,0,0|2,0,0]=4 17139 B12R1.51 CCCC(=O)CCC1CCCC1 1458a_100000211120_100000210303 [0,1,0,1,0,0|0,0,2]=4 17140 B12R1.51 CCCC(=O)CCC1CCCC1 1458a_100000211992_100000760354 [0,1,0,1,0,0|0,0,2]=4 17141 B12R1.51 CCCC(C)CNC1CCCC1 2230a_100000211070_100011216630 [0,1,0,1,0,0|2,0,0]=4 17142 B12R1.51 CCCC(C)CNC1CCCC1 270004a_100000211070_100000243154 [0,1,0,1,0,0|2,0,0]=4 17143 B12R1.51 CCCC(C)CNC1CCCC1 34a_100000211070_100011216630 [0,1,0,1,0,0|2,0,0]=4 17144 B12R1.51 CCCC(C)COC1CCCC1 34a_100000210269_100011216630 [0,1,0,1,0,0|2,0,0]=4 17145 B12R1.51 CCCC(C)COC1CCCC1 34a_100000688023_100000179811 [0,1,0,1,0,0|2,0,0]=4 17146 B12R1.51 CCCC(C)COC1CCCC1 7a_100000210269_100011216630 [0,1,0,1,0,0|2,0,0]=4 17147 B12R1.51 CCCC(C)COC1CCCC1 7a_100000688023_100000179811 [0,1,0,1,0,0|2,0,0]=4 17148 B12R1.51 CCCC(C)CSC1CCCC1 62a_100011216630_100000179811 [0,1,0,1,0,0|2,0,0]=4 17149 B12R1.51 CCCC(C)CSC1CCCC1 62a_100011217020_100011216630 [0,1,0,1,0,0|2,0,0]=4 17150 B12R1.51 CCCC(C)NCC1CCCC1 2230a_100000737975_100000766640 [0,1,0,1,0,0|2,0,0]=4 17151 B12R1.51 CCCC(C)NCC1CCCC1 2230a_100000741246_100000740388 [0,1,0,1,0,0|2,0,0]=4 17152 B12R1.51 CCCC(C)NCC1CCCC1 269862a_100000741246_100000746403 [0,1,0,1,0,0|2,0,0]=4 17153 B12R1.51 CCCC(C)NCC1CCCC1 270004a_100000737975_100000211909 [0,1,0,1,0,0|2,0,0]=4 17154 B12R1.51 CCCC(C)NCC1CCCC1 34a_100000737975_100000766640 [0,1,0,1,0,0|2,0,0]=4 17155 B12R1.51 CCCC(C)OCC1CCCC1 34a_100000742336_100000766640 [0,1,0,1,0,0|2,0,0]=4 17156 B12R1.51 CCCC(C)OCC1CCCC1 34a_100000764384_100000740388 [0,1,0,1,0,0|2,0,0]=4 17157 B12R1.51 CCCC(C)OCC1CCCC1 7a_100000742336_100000766640 [0,1,0,1,0,0|2,0,0]=4 17158 B12R1.51 CCCC(C)OCC1CCCC1 7a_100000764384_100000740388 [0,1,0,1,0,0|2,0,0]=4 17159 B12R1.51 CCCC(C)SCC1CCCC1 62a_100000740388_100000766640 [0,1,0,1,0,0|2,0,0]=4 17160 B12R1.51 CCCC(C)SCC1CCCC1 62a_100000766640_100000740388 [0,1,0,1,0,0|2,0,0]=4 17161 B12R1.51 CCCN(C)CCC1CCCC1 2230a_100000747261_100000760354 [0,1,0,1,0,0|2,0,0]=4 17162 B12R1.51 CCCN(C)CCC1CCCC1 269982a_100000747261_100000760354 [0,1,0,1,0,0|2,0,0]=4 17163 B12R1.51 CCC[C@H](N)COC1CCCC1 34a_100000732646_100000179811 [0,1,0,1,0,0|2,0,0]=4 17164 B12R1.51 CCNC(=O)CCC1CCCC1 11a_100015525214_100000211120 [0,1,0,1,0,0|0,0,2]=4 17165 B12R1.51 CCNC(=O)CCC1CCCC1 240690a_100015525214_100000211120 [0,1,0,1,0,0|0,0,2]=4 17166 B12R1.51 CCNC(=O)CCC1CCCC1 527a_100015525214_100000211120 [0,1,0,1,0,0|0,0,2]=4 17167 B12R1.51 CN(CCO)CCC1CCCC1 2230a_100000210263_100000760354 [0,1,0,1,0,0|2,0,0]=4 17168 B12R1.51 CN(CCO)CCC1CCCC1 269982a_100000210263_100000760354 [0,1,0,1,0,0|2,0,0]=4 17169 B12R1.51 COCC(=O)CCC1CCCC1 1458a_100000210968_100000760354 [0,1,0,1,0,0|0,0,2]=4 17170 B12R1.51 COCC(C)NCC1CCCC1 2230a_100000737975_100000765312 [0,1,0,1,0,0|2,0,0]=4 17171 B12R1.51 COCC(C)NCC1CCCC1 270004a_100000737975_100000749346 [0,1,0,1,0,0|2,0,0]=4 17172 B12R1.51 COCC(C)NCC1CCCC1 34a_100000737975_100000765312 [0,1,0,1,0,0|2,0,0]=4 17173 B12R1.51 COCC(C)OCC1CCCC1 34a_100000742336_100000765312 [0,1,0,1,0,0|2,0,0]=4 17174 B12R1.51 COCC(C)OCC1CCCC1 7a_100000742336_100000765312 [0,1,0,1,0,0|2,0,0]=4 17175 B12R1.51 COCC(C)SCC1CCCC1 62a_100000740388_100000765312 [0,1,0,1,0,0|2,0,0]=4 17176 B12R1.51 COCC(C)SCC1CCCC1 62a_100000765312_100000740388 [0,1,0,1,0,0|2,0,0]=4 17177 B12R1.51 COCC(N)COC1CCCC1 34a_100000724102_100000179811 [0,1,0,1,0,0|2,0,0]=4 17178 B12R1.51 COCC(O)CNC1CCCC1 2230a_100000756049_100000179811 [0,1,0,1,0,0|1,0,0]=3 17179 B12R1.51 COCC(O)CNC1CCCC1 270004a_100000756049_100000210133 [0,1,0,1,0,0|1,0,0]=3 17180 B12R1.51 COCC(O)CNC1CCCC1 34a_100000211070_100011215053 [0,1,0,1,0,0|1,0,0]=3 17181 B12R1.51 COCC(O)CNC1CCCC1 34a_100000756049_100000179811 [0,1,0,1,0,0|1,0,0]=3 17182 B12R1.51 COCC(O)CNC1CCOC1 2230a_100000756049_100000731011 [0,1,0,1,0,0|2,0,0]=4 17183 B12R1.51 COCC(O)CNC1CCOC1 270004a_100000756049_100000752484 [0,1,0,1,0,0|2,0,0]=4 17184 B12R1.51 COCC(O)CNC1CCOC1 34a_100000756049_100000690089 [0,1,0,1,0,0|2,0,0]=4 17185 B12R1.51 COCC(O)CNC1CCSC1 270004a_100000756049_100000212027 [0,1,0,1,0,0|2,0,0]=4 17186 B12R1.51 COCC(O)CN[C@H]1CCOC1 34a_100015188467_100011215053 [0,1,0,1,0,0|2,0,0]=4 17187 B12R1.51 COCC(O)COC1CCCC1 34a_100000210269_100011215053 [0,1,0,1,0,0|1,0,0]=3 17188 B12R1.51 COCC(O)COC1CCCC1 7a_100000210269_100011215053 [0,1,0,1,0,0|1,0,0]=3 17189 B12R1.51 COCC(O)COC1CCCO1 34a_100000085407_100011215053 [0,1,0,1,0,0|2,0,0]=4 17190 B12R1.51 COCC(O)COC1CCSC1 7a_100011232664_100011215053 [0,1,0,1,0,0|2,0,0]=4 17191 B12R1.51 COCC(O)CO[C@H]1CCOC1 34a_100000717292_100011215053 [0,1,0,1,0,0|2,0,0]=4 17192 B12R1.51 COCC(O)CSC1CCCC1 62a_100011215053_100000179811 [0,1,0,1,0,0|1,0,0]=3 17193 B12R1.51 COCC(O)CSC1CCCC1 62a_100011217020_100011215053 [0,1,0,1,0,0|1,0,0]=3 17194 B12R1.51 COCC(O)CSC1CCOC1 62a_100011215053_100000690089 [0,1,0,1,0,0|2,0,0]=4 17195 B12R1.51 COC[C@@H](C)NCC1CCCC1 2230a_100000764878_100000740388 [0,1,0,1,0,0|2,0,0]=4 17196 B12R1.51 COC[C@@H](C)NCC1CCCC1 269862a_100000764878_100000746403 [0,1,0,1,0,0|2,0,0]=4 17197 B12R1.51 COC[C@@H](C)OCC1CCCC1 34a_100011934205_100000740388 [0,1,0,1,0,0|2,0,0]=4 17198 B12R1.51 CSCC(=O)CCC1CCCC1 1458a_100000184570_100000760354 [0,1,0,1,0,0|0,0,2]=4 17199 B12R1.51 CSCC(C)NCC1CCCC1 270004a_100000737975_100011216314 [0,1,0,1,0,0|2,0,0]=4 17200 B12R1.51 C[C@H](CCO)NCC1CCCC1 2230a_100000706166_100000740388 [0,1,0,1,0,0|2,0,0]=4 17201 B12R1.51 C[C@H](CCO)NCC1CCCC1 269862a_100000706166_100000746403 [0,1,0,1,0,0|2,0,0]=4 17202 B12R1.51 C[C@H](CCO)NCC1CCCC1 34a_100000706166_100000740388 [0,1,0,1,0,0|2,0,0]=4 17203 B12R1.51 N#CC[C@H](O)CNC1CCCC1 2230a_100000211070_100000001066 [0,1,0,1,0,0|1,0,1]=4 17204 B12R1.51 N#CC[C@H](O)COC1CCCC1 7a_100000210269_100000001066 [0,1,0,1,0,0|1,0,1]=4 17205 B12R1.51 N#CC[C@H](O)CSC1CCCC1 62a_100000001066_100000179811 [0,1,0,1,0,0|1,0,1]=4 17206 B12R1.51 N#CC[C@H](O)CSC1CCCC1 62a_100011217020_100000001066 [0,1,0,1,0,0|1,0,1]=4 17207 B12R1.51 O=C(CCF)CCC1CCCC1 1458a_100000211120_100011217306 [0,1,0,1,0,0|0,0,2]=4 17208 B12R1.51 O=C(CCO)CCC1CCCC1 1458a_100000211120_100000211926 [0,1,0,1,0,0|0,0,2]=4 17209 B12R1.51 O=C(CCO)CCC1CCCC1 1458a_100011216618_100000760354 [0,1,0,1,0,0|0,0,2]=4 17210 B12R1.62 CCCCCCCN1CC(C1)C 2230a_100000702820_100000210681 [0,1,0,1,0,0|2,0,0]=4 17211 B12R1.62 CCCCCCCN1CC(C1)C 269982a_100000702820_100000210681 [0,1,0,1,0,0|2,0,0]=4 17212 B12R1.62 CCCCCCCN1CC(C1)C 34a_100000702820_100000210614 [0,1,0,1,0,0|2,0,0]=4 17213 B12R1.62 CCCCCCCN1CC(C1)F 2230a_100000690557_100000210681 [0,1,0,1,0,0|2,0,0]=4 17214 B12R1.62 CCCCCCCN1CC(C1)F 269982a_100000690557_100000210681 [0,1,0,1,0,0|2,0,0]=4 17215 B12R1.62 CCCCCCCN1CC(C1)F 34a_100000690557_100000210614 [0,1,0,1,0,0|2,0,0]=4 17216 B12R1.62 CCCCCCCN1CC(C1)O 269982a_100000749847_100000210681 [0,1,0,1,0,0|2,0,0]=4 17217 B12R1.62 CCCCCCNC1CC(C1)F 2230a_100016993743_100000210314 [0,1,0,1,0,0|2,0,0]=4 17218 B12R1.62 CCCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210314 [0,1,0,1,0,0|2,0,0]=4 17219 B12R1.62 CCCCCNCC1CC(C1)O 2230a_100016992100_100000210326 [0,1,0,1,0,0|2,0,0]=4 17220 B12R1.62 CCCCCOCC1CC(C1)Cl 34a_100009874164_100000718602 [0,1,0,1,0,0|2,0,0]=4 17221 B12R1.69 CCCOC1CCC(CC1C)C 34a_100011539931_100000210303 [0,1,0,1,0,0|2,0,0]=4 17222 B12R1.69 CCCOC1CCC(CC1C)C 7a_100011539931_100000210303 [0,1,0,1,0,0|2,0,0]=4 17223 B12R1.173 CCCN1CCCCCCCC1 2230a_100000039187_100000210303 [0,1,0,1,0,0|2,0,0]=4 17224 B12R1.173 CCCN1CCCCCCCC1 269982a_100000039187_100000210303 [0,1,0,1,0,0|2,0,0]=4 17225 B12R1.173 CCCN1CCCCCCCC1 34a_100000039187_100000210303 [0,1,0,1,0,0|2,0,0]=4 17226 B12R1.173 CCNC1CCCCCCCC1 270004a_100015525214_100000038600 [0,1,0,1,0,0|1,0,0]=3 17227 B12R1.173 COCN1CCCCCCCC1 2230a_100000039187_100000766300 [0,1,0,1,0,0|2,0,0]=4 17228 B12R1.173 COCN1CCCCCCCC1 269982a_100000039187_100000766300 [0,1,0,1,0,0|2,0,0]=4 17229 B12R1.173 CSCN1CCCCCCCC1 2230a_100000039187_100011218213 [0,1,0,1,0,0|2,0,0]=4 17230 B12R1.173 CSCN1CCCCCCCC1 269982a_100000039187_100011218213 [0,1,0,1,0,0|2,0,0]=4 17231 B12R1.173 CSCN1CCCCCCCC1 34a_100000039187_100011218213 [0,1,0,1,0,0|2,0,0]=4 17232 B12R1.173 FCCN1CCCCCCCC1 2230a_100000039187_100011217306 [0,1,0,1,0,0|2,0,0]=4 17233 B12R1.173 FCCN1CCCCCCCC1 269982a_100000039187_100011217306 [0,1,0,1,0,0|2,0,0]=4 17234 B12R1.173 FCCN1CCCCCCCC1 34a_100000039187_100011217306 [0,1,0,1,0,0|2,0,0]=4 17235 B12R1.173 OCCN1CCCCCCCC1 2230a_100000039187_100000211926 [0,1,0,1,0,0|2,0,0]=4 17236 B12R1.173 OCCN1CCCCCCCC1 269982a_100000039187_100000211926 [0,1,0,1,0,0|2,0,0]=4 17237 B12R1.173 OCCN1CCCCCCCC1 34a_100000039187_100000211926 [0,1,0,1,0,0|2,0,0]=4 17238 B12R1.278 CCCC1CC(CCN1)NCC 270004a_100015525214_100016991347 [0,1,0,1,0,0|2,0,0]=4 17239 B12R1.278 CCCN1CCCC(C1)CCO 2230a_100000752241_100000210303 [0,1,0,1,0,0|2,0,0]=4 17240 B12R1.278 CCCN1CCCC(C1)CCO 269982a_100000752241_100000210303 [0,1,0,1,0,0|2,0,0]=4 17241 B12R1.278 CCCN1CCCC(C1)CCO 34a_100000752241_100000210303 [0,1,0,1,0,0|2,0,0]=4 17242 B12R1.278 CCCN1CCCC(C1)COC 2230a_100000755410_100000210303 [0,1,0,1,0,0|2,0,0]=4 17243 B12R1.278 CCCN1CCCC(C1)COC 269982a_100000755410_100000210303 [0,1,0,1,0,0|2,0,0]=4 17244 B12R1.278 CCCN1CCCC(C1)COC 34a_100000755410_100000210303 [0,1,0,1,0,0|2,0,0]=4 17245 B12R1.278 CCCN1CCCC(C1)NCC 2230a_100011435248_100000210202 [0,1,0,1,0,0|2,0,0]=4 17246 B12R1.278 CCCN1CCCC(C1)OCC 2230a_100000745229_100000210303 [0,1,0,1,0,0|2,0,0]=4 17247 B12R1.278 CCCN1CCCC(C1)OCC 269982a_100000745229_100000210303 [0,1,0,1,0,0|2,0,0]=4 17248 B12R1.278 CCCN1CCCC(C1)OCC 34a_100000745229_100000210303 [0,1,0,1,0,0|2,0,0]=4 17249 B12R1.308 CC(CCO)N1CCCCC1C 2230a_100000211376_100009893172 [0,1,0,1,0,0|2,0,0]=4 17250 B12R1.308 CC(CCO)N1CCCCC1C 269982a_100000211376_100009893172 [0,1,0,1,0,0|2,0,0]=4 17251 B12R1.308 CC(CCO)N1CCCCC1C 34a_100000211376_100009893172 [0,1,0,1,0,0|2,0,0]=4 17252 B12R1.308 CC1CCCCC1C(=O)CCF 1458a_100011215568_100011217306 [0,1,0,1,0,0|0,0,2]=4 17253 B12R1.308 CC1CCCCC1C(=O)CCO 1458a_100011215568_100000211926 [0,1,0,1,0,0|0,0,2]=4 17254 B12R1.308 CC1CCCCC1N(C)CCO 270004a_100000210263_100000210921 [0,1,0,1,0,0|2,0,0]=4 17255 B12R1.308 CC1CCCCN1C(C)CO[13CH3] 34a_200011934825_200025704644 [0,1,0,1,0,0|2,0,0]=4 17256 B12R1.308 CC1CCCCN1C(C)CO[13CH3] 7a_200011934825_200025704644 [0,1,0,1,0,0|2,0,0]=4 17257 B12R1.308 CCCC(=O)C1CCCCC1C 1458a_100011215568_100000210303 [0,1,0,1,0,0|0,0,2]=4 17258 B12R1.308 CCCC(C)N1CCCCC1C 2230a_100000211376_100000766640 [0,1,0,1,0,0|2,0,0]=4 17259 B12R1.308 CCCC(C)N1CCCCC1C 269982a_100000211376_100000766640 [0,1,0,1,0,0|2,0,0]=4 17260 B12R1.308 CCCC(C)N1CCCCC1C 270004a_100000211376_100000211909 [0,1,0,1,0,0|2,0,0]=4 17261 B12R1.308 CCCC(C)N1CCCCC1C 34a_100000211376_100000766640 [0,1,0,1,0,0|2,0,0]=4 17262 B12R1.308 CCCN(C)C1CCCCC1C 270004a_100000747261_100000210921 [0,1,0,1,0,0|2,0,0]=4 17263 B12R1.308 CCNC(=O)C1CCCCC1C 11a_100015525214_100011215568 [0,1,0,1,0,0|0,0,2]=4 17264 B12R1.308 CCNC(=O)C1CCCCC1C 240690a_100015525214_100011215568 [0,1,0,1,0,0|0,0,2]=4 17265 B12R1.308 CCNC(=O)C1CCCCC1C 527a_100015525214_100011215568 [0,1,0,1,0,0|0,0,2]=4 17266 B12R1.308 COCC(C)N1CCCCC1C 2230a_100000211376_100000765312 [0,1,0,1,0,0|2,0,0]=4 17267 B12R1.308 COCC(C)N1CCCCC1C 269982a_100000211376_100000765312 [0,1,0,1,0,0|2,0,0]=4 17268 B12R1.308 COCC(C)N1CCCCC1C 270004a_100000211376_100000749346 [0,1,0,1,0,0|2,0,0]=4 17269 B12R1.308 COCC(C)N1CCCCC1C 34a_100000211376_100000765312 [0,1,0,1,0,0|2,0,0]=4 17270 B12R1.308 COCC(C)N1CCCCC1C 34a_200011934825_200000210301 [0,1,0,1,0,0|2,0,0]=4 17271 B12R1.308 COCC(C)N1CCCCC1C 7a_200011934825_200000210301 [0,1,0,1,0,0|2,0,0]=4 17272 B12R1.308 CSCC(C)N1CCCCC1C 270004a_100000211376_100011216314 [0,1,0,1,0,0|2,0,0]=4 17273 B12R1.310 CC(CCN)COCCC1CC1 34a_106354213184_100000694398 [0,1,0,1,0,0|2,0,0]=4 17274 B12R1.310 CCCC(C)CCCOC1CC1 34a_100011713154_100000211595 [0,1,0,1,0,0|2,0,0]=4 17275 B12R1.310 CCCC(C)CCOCC1CC1 34a_100011217855_100000742324 [0,1,0,1,0,0|2,0,0]=4 17276 B12R1.310 CCCC(C)CCOCC1CC1 7a_100011217855_100000742324 [0,1,0,1,0,0|2,0,0]=4 17277 B12R1.310 CCCC(C)CNCCC1CC1 270004a_100000764129_100000243154 [0,1,0,1,0,0|2,0,0]=4 17278 B12R1.310 CCCC(C)CNCCC1CC1 34a_100000764129_100011216630 [0,1,0,1,0,0|2,0,0]=4 17279 B12R1.310 CCCC(C)COCCC1CC1 34a_100000688023_100000694398 [0,1,0,1,0,0|2,0,0]=4 17280 B12R1.310 CCCC(C)COCCC1CC1 34a_100000754188_100011216630 [0,1,0,1,0,0|2,0,0]=4 17281 B12R1.310 CCCC(C)COCCC1CC1 7a_100000688023_100000764125 [0,1,0,1,0,0|2,0,0]=4 17282 B12R1.310 CCCC(C)COCCC1CC1 7a_100000754188_100011216630 [0,1,0,1,0,0|2,0,0]=4 17283 B12R1.310 CCCC(C)CSCCC1CC1 62a_100000764125_100011216630 [0,1,0,1,0,0|2,0,0]=4 17284 B12R1.310 CCCC(C)CSCCC1CC1 62a_100011216630_100000764125 [0,1,0,1,0,0|2,0,0]=4 17285 B12R1.310 CCC[C@H](N)CCOCC1CC1 34a_100015193777_100000742324 [0,1,0,1,0,0|2,0,0]=4 17286 B12R1.310 CCC[C@H](N)COCCC1CC1 34a_100000732646_100000694398 [0,1,0,1,0,0|2,0,0]=4 17287 B12R1.310 COCC(N)COCCC1CC1 34a_100000724102_100000694398 [0,1,0,1,0,0|2,0,0]=4 17288 B12R1.310 COCC(O)CNCCC1CC1 2230a_100000756049_100000694398 [0,1,0,1,0,0|1,0,0]=3 17289 B12R1.310 COCC(O)CNCCC1CC1 34a_100000756049_100000694398 [0,1,0,1,0,0|1,0,0]=3 17290 B12R1.310 COCC(O)CNCCC1CC1 34a_100000764129_100011215053 [0,1,0,1,0,0|1,0,0]=3 17291 B12R1.310 COCC(O)CNCCC1CO1 2230a_100000756049_100000732470 [0,1,0,1,0,0|2,0,0]=4 17292 B12R1.310 COCC(O)CNCCC1CO1 34a_100000756049_100000732470 [0,1,0,1,0,0|2,0,0]=4 17293 B12R1.310 COCC(O)COCCC1CC1 34a_100000754188_100011215053 [0,1,0,1,0,0|1,0,0]=3 17294 B12R1.310 COCC(O)COCCC1CC1 7a_100000754188_100011215053 [0,1,0,1,0,0|1,0,0]=3 17295 B12R1.310 COCC(O)COCC[C@@H]1CO1 34a_100009820653_100011215053 [0,1,0,1,0,0|2,0,0]=4 17296 B12R1.310 COCC(O)CSCCC1CC1 62a_100000764125_100011215053 [0,1,0,1,0,0|1,0,0]=3 17297 B12R1.310 COCC(O)CSCCC1CC1 62a_100011215053_100000764125 [0,1,0,1,0,0|1,0,0]=3 17298 B12R1.310 COCC(O)CSCCC1CO1 62a_100000732470_100011215053 [0,1,0,1,0,0|2,0,0]=4 17299 B12R1.310 COCC(O)CSCCC1CO1 62a_100011215053_100000732470 [0,1,0,1,0,0|2,0,0]=4 17300 B12R1.310 N#CC[C@H](O)COCCC1CC1 7a_100000754188_100000001066 [0,1,0,1,0,0|1,0,1]=4 17301 B12R1.310 N#CC[C@H](O)CSCCC1CC1 62a_100000001066_100000764125 [0,1,0,1,0,0|1,0,1]=4 17302 B12R1.310 N#CC[C@H](O)CSCCC1CC1 62a_100000764125_100000001066 [0,1,0,1,0,0|1,0,1]=4 17303 B12R1.315 CC(CCN)COCC1CCC1 34a_106354213184_100000763275 [0,1,0,1,0,0|2,0,0]=4 17304 B12R1.315 CC(CCN)COCC1CCO1 34a_106354213184_100000103362 [0,1,0,1,0,0|2,0,0]=4 17305 B12R1.315 CCCC(=O)CNC[C@@H]1CCO1 2230a_100020831831_100000747444 [0,1,0,1,0,0|1,0,1]=4 17306 B12R1.315 CCCC(=O)CSCC1CCO1 62a_100000103362_100000747444 [0,1,0,1,0,0|1,0,1]=4 17307 B12R1.315 CCCC(=O)CSCC1CCO1 62a_100000747444_100000103362 [0,1,0,1,0,0|1,0,1]=4 17308 B12R1.315 CCCC(C)CCOC1CCC1 34a_100011217855_100000749161 [0,1,0,1,0,0|2,0,0]=4 17309 B12R1.315 CCCC(C)CNCC1CCC1 2230a_100000738700_100011216630 [0,1,0,1,0,0|2,0,0]=4 17310 B12R1.315 CCCC(C)CNCC1CCC1 270004a_100000738700_100000243154 [0,1,0,1,0,0|2,0,0]=4 17311 B12R1.315 CCCC(C)CNCC1CCC1 34a_100000738700_100011216630 [0,1,0,1,0,0|2,0,0]=4 17312 B12R1.315 CCCC(C)CNC[C@@H]1CCO1 2230a_100020831831_100011216630 [0,1,0,1,0,0|1,0,0]=3 17313 B12R1.315 CCCC(C)CNC[C@@H]1CCO1 270004a_100020831831_100000243154 [0,1,0,1,0,0|1,0,0]=3 17314 B12R1.315 CCCC(C)CNC[C@@H]1CCO1 34a_100020831831_100011216630 [0,1,0,1,0,0|1,0,0]=3 17315 B12R1.315 CCCC(C)COCC1CCC1 34a_100000688023_100000763275 [0,1,0,1,0,0|2,0,0]=4 17316 B12R1.315 CCCC(C)COCC1CCC1 34a_100000760304_100011216630 [0,1,0,1,0,0|2,0,0]=4 17317 B12R1.315 CCCC(C)COCC1CCC1 7a_100000688023_100000763275 [0,1,0,1,0,0|2,0,0]=4 17318 B12R1.315 CCCC(C)COCC1CCO1 34a_100000039022_100011216630 [0,1,0,1,0,0|1,0,0]=3 17319 B12R1.315 CCCC(C)COCC1CCO1 34a_100000688023_100000103362 [0,1,0,1,0,0|1,0,0]=3 17320 B12R1.315 CCCC(C)COCC1CCO1 7a_100000688023_100000103362 [0,1,0,1,0,0|1,0,0]=3 17321 B12R1.315 CCCC(C)CSCC1CCC1 62a_100000763275_100011216630 [0,1,0,1,0,0|2,0,0]=4 17322 B12R1.315 CCCC(C)CSCC1CCC1 62a_100011216630_100000763275 [0,1,0,1,0,0|2,0,0]=4 17323 B12R1.315 CCCC(C)CSCC1CCO1 62a_100000103362_100011216630 [0,1,0,1,0,0|1,0,0]=3 17324 B12R1.315 CCCC(C)CSCC1CCO1 62a_100011216630_100000103362 [0,1,0,1,0,0|1,0,0]=3 17325 B12R1.315 CCC[C@H](N)CCOC1CCC1 34a_100015193777_100000749161 [0,1,0,1,0,0|2,0,0]=4 17326 B12R1.315 CCC[C@H](N)COCC1CCC1 34a_100000732646_100000763275 [0,1,0,1,0,0|2,0,0]=4 17327 B12R1.315 CCC[C@H](N)COCC1CCO1 34a_100000732646_100000103362 [0,1,0,1,0,0|1,0,0]=3 17328 B12R1.315 COCC(N)COCC1CCC1 34a_100000724102_100000763275 [0,1,0,1,0,0|2,0,0]=4 17329 B12R1.315 COCC(N)COCC1CCO1 34a_100000724102_100000103362 [0,1,0,1,0,0|2,0,0]=4 17330 B12R1.315 COCC(O)CNCC1CCC1 2230a_100000756049_100000763275 [0,1,0,1,0,0|1,0,0]=3 17331 B12R1.315 COCC(O)CNCC1CCC1 269862a_100000756049_100000753134 [0,1,0,1,0,0|1,0,0]=3 17332 B12R1.315 COCC(O)CNCC1CCC1 34a_100000738700_100011215053 [0,1,0,1,0,0|1,0,0]=3 17333 B12R1.315 COCC(O)CNCC1CCC1 34a_100000756049_100000763275 [0,1,0,1,0,0|1,0,0]=3 17334 B12R1.315 COCC(O)CNCC1CCO1 2230a_100000756049_100000103362 [0,1,0,1,0,0|2,0,0]=4 17335 B12R1.315 COCC(O)CNCC1CCO1 34a_100000756049_100000103362 [0,1,0,1,0,0|2,0,0]=4 17336 B12R1.315 COCC(O)CNCC1COC1 2230a_100000756049_100010264016 [0,1,0,1,0,0|2,0,0]=4 17337 B12R1.315 COCC(O)CNCC1COC1 34a_100000756049_100010264016 [0,1,0,1,0,0|2,0,0]=4 17338 B12R1.315 COCC(O)CNCC1COC1 34a_100015281925_100011215053 [0,1,0,1,0,0|2,0,0]=4 17339 B12R1.315 COCC(O)CNC[C@@H]1CCO1 34a_100020831831_100011215053 [0,1,0,1,0,0|2,0,0]=4 17340 B12R1.315 COCC(O)COCC1CCC1 34a_100000760304_100011215053 [0,1,0,1,0,0|1,0,0]=3 17341 B12R1.315 COCC(O)COCC1CCO1 34a_100000039022_100011215053 [0,1,0,1,0,0|2,0,0]=4 17342 B12R1.315 COCC(O)COCC1CNC1 34a_100016987283_100011215053 [0,1,0,1,0,0|2,0,0]=4 17343 B12R1.315 COCC(O)COCC1COC1 34a_100000060846_100011215053 [0,1,0,1,0,0|2,0,0]=4 17344 B12R1.315 COCC(O)CSCC1CCC1 62a_100000763275_100011215053 [0,1,0,1,0,0|1,0,0]=3 17345 B12R1.315 COCC(O)CSCC1CCC1 62a_100011215053_100000763275 [0,1,0,1,0,0|1,0,0]=3 17346 B12R1.315 COCC(O)CSCC1CCO1 62a_100000103362_100011215053 [0,1,0,1,0,0|2,0,0]=4 17347 B12R1.315 COCC(O)CSCC1CCO1 62a_100011215053_100000103362 [0,1,0,1,0,0|2,0,0]=4 17348 B12R1.315 COCC(O)CSCC1COC1 62a_100010264016_100011215053 [0,1,0,1,0,0|2,0,0]=4 17349 B12R1.315 COCC(O)CSCC1COC1 62a_100011215053_100010264016 [0,1,0,1,0,0|2,0,0]=4 17350 B12R1.315 N#CC[C@H](O)CNCC1CCC1 2230a_100000738700_100000001066 [0,1,0,1,0,0|1,0,1]=4 17351 B12R1.315 N#CC[C@H](O)CSCC1CCC1 62a_100000001066_100000763275 [0,1,0,1,0,0|1,0,1]=4 17352 B12R1.315 N#CC[C@H](O)CSCC1CCC1 62a_100000763275_100000001066 [0,1,0,1,0,0|1,0,1]=4 17353 B12R1.316 CCC1CCCC1N(C)CCO 270004a_100000210263_100000749056 [0,1,0,1,0,0|2,0,0]=4 17354 B12R1.316 CCC1CCCN1C(C)CCO 2230a_100000754278_100009893172 [0,1,0,1,0,0|2,0,0]=4 17355 B12R1.316 CCC1CCCN1C(C)CCO 269982a_100000754278_100009893172 [0,1,0,1,0,0|2,0,0]=4 17356 B12R1.316 CCC1CCCN1C(C)CCO 34a_100000754278_100009893172 [0,1,0,1,0,0|2,0,0]=4 17357 B12R1.316 CCC1CCCN1C(C)COC 2230a_100000754278_100000765312 [0,1,0,1,0,0|2,0,0]=4 17358 B12R1.316 CCC1CCCN1C(C)COC 269982a_100000754278_100000765312 [0,1,0,1,0,0|2,0,0]=4 17359 B12R1.316 CCC1CCCN1C(C)COC 270004a_100000754278_100000749346 [0,1,0,1,0,0|2,0,0]=4 17360 B12R1.316 CCC1CCCN1C(C)COC 34a_100000754278_100000765312 [0,1,0,1,0,0|2,0,0]=4 17361 B12R1.316 CCC1CCCN1C(C)CSC 270004a_100000754278_100011216314 [0,1,0,1,0,0|2,0,0]=4 17362 B12R1.316 CCCC(C)N1CCCC1CC 2230a_100000754278_100000766640 [0,1,0,1,0,0|2,0,0]=4 17363 B12R1.316 CCCC(C)N1CCCC1CC 269982a_100000754278_100000766640 [0,1,0,1,0,0|2,0,0]=4 17364 B12R1.316 CCCC(C)N1CCCC1CC 270004a_100000754278_100000211909 [0,1,0,1,0,0|2,0,0]=4 17365 B12R1.316 CCCC(C)N1CCCC1CC 34a_100000754278_100000766640 [0,1,0,1,0,0|2,0,0]=4 17366 B12R1.316 CCCN(C)C1CCCC1CC 270004a_100000747261_100000749056 [0,1,0,1,0,0|2,0,0]=4 17367 B12R1.318 CC(CCO)OC1CCCC1C 34a_100011216460_100009893172 [0,1,0,1,0,0|2,0,0]=4 17368 B12R1.318 CC(CCO)OC1CCCC1C 7a_100011216460_100009893172 [0,1,0,1,0,0|2,0,0]=4 17369 B12R1.318 CC1CCCC1N[C@H](C)CCO 269862a_100000706166_100000752053 [0,1,0,1,0,0|2,0,0]=4 17370 B12R1.318 CCCC(C)CN1CCC[C@@H]1C 2230a_100020605311_100011216630 [0,1,0,1,0,0|2,0,0]=4 17371 B12R1.318 CCCC(C)CN1CCC[C@@H]1C 269982a_100020605311_100011216630 [0,1,0,1,0,0|2,0,0]=4 17372 B12R1.318 CCCC(C)CN1CCC[C@@H]1C 270004a_100020605311_100000243154 [0,1,0,1,0,0|2,0,0]=4 17373 B12R1.318 CCCC(C)CN1CCC[C@H]1C 2230a_100015189458_100011216630 [0,1,0,1,0,0|2,0,0]=4 17374 B12R1.318 CCCC(C)CN1CCC[C@H]1C 269982a_100015189458_100011216630 [0,1,0,1,0,0|2,0,0]=4 17375 B12R1.318 CCCC(C)CN1CCC[C@H]1C 270004a_100015189458_100000243154 [0,1,0,1,0,0|2,0,0]=4 17376 B12R1.318 CCCC(C)CN1CCC[C@H]1C 34a_100015189458_100011216630 [0,1,0,1,0,0|2,0,0]=4 17377 B12R1.318 CCCC(C)NC1CCCC1C 269862a_100000741246_100000752053 [0,1,0,1,0,0|2,0,0]=4 17378 B12R1.318 CCCC(C)OC1CCCC1C 34a_100011216460_100000766640 [0,1,0,1,0,0|2,0,0]=4 17379 B12R1.318 CCCC(C)OC1CCCC1C 7a_100011216460_100000766640 [0,1,0,1,0,0|2,0,0]=4 17380 B12R1.318 COCC(C)OC1CCCC1C 34a_100011216460_100000765312 [0,1,0,1,0,0|2,0,0]=4 17381 B12R1.318 COCC(C)OC1CCCC1C 7a_100011216460_100000765312 [0,1,0,1,0,0|2,0,0]=4 17382 B12R1.318 COCC(O)CN1CCC[C@H]1C 34a_100015189458_100011215053 [0,1,0,1,0,0|1,0,0]=3 17383 B12R1.318 COCC(O)CN1CCSC1C 34a_200011216479_100011215053 [0,1,0,1,0,0|2,0,0]=4 17384 B12R1.318 COC[C@@H](C)NC1CCCC1C 269862a_100000764878_100000752053 [0,1,0,1,0,0|2,0,0]=4 17385 B12R1.318 C[C@@H]1CCCN1C[C@@H](O)CC#N 2230a_100015189458_100000001066 [0,1,0,1,0,0|1,0,1]=4 17386 B12R1.318 C[C@H]1CCCN1C[C@@H](O)CC#N 2230a_100020605311_100000001066 [0,1,0,1,0,0|1,0,1]=4 17387 B12R1.340 CCCCN1CCC(C1)CCO 2230a_100016987287_100000210211 [0,1,0,1,0,0|2,0,0]=4 17388 B12R1.340 CCCCN1CCC(C1)CCO 269982a_100016987287_100000210211 [0,1,0,1,0,0|2,0,0]=4 17389 B12R1.340 CCCCN1CCC(C1)CCO 34a_100016987287_100000210210 [0,1,0,1,0,0|2,0,0]=4 17390 B12R1.340 CCCCN1CCC(C1)COC 2230a_100025706693_100000210211 [0,1,0,1,0,0|2,0,0]=4 17391 B12R1.340 CCCCN1CCC(C1)COC 269982a_100025706693_100000210211 [0,1,0,1,0,0|2,0,0]=4 17392 B12R1.340 CCCCN1CCC(C1)COC 34a_100025706693_100000210210 [0,1,0,1,0,0|2,0,0]=4 17393 B12R1.340 CCCCN1CC[C@@H](C1)OCC 2230a_100011787710_100000210211 [0,1,0,1,0,0|2,0,0]=4 17394 B12R1.340 CCCCN1CC[C@@H](C1)OCC 269982a_100011787710_100000210211 [0,1,0,1,0,0|2,0,0]=4 17395 B12R1.340 CCCCN1CC[C@@H](C1)OCC 34a_100011787710_100000210210 [0,1,0,1,0,0|2,0,0]=4 17396 B12R1.340 CCCNC1CCC(C1)CCC 270004a_100020643023_200012087856 [0,1,0,1,0,0|2,0,0]=4 17397 B12R1.348 C#CCCN1CCCC(CC1)O 2230a_100015186869_100000688953 [0,1,0,1,0,0|0,0,2]=4 17398 B12R1.348 C#CCCN1CCCC(CC1)O 269982a_100015186869_100000730999 [0,1,0,1,0,0|0,0,2]=4 17399 B12R1.348 C/C=C/CN1CCCC(CC1)O 269982a_100015186869_100102629194 [0,1,0,1,0,0|0,0,2]=4 17400 B12R1.348 C=CCCN1CCCC(CC1)O 2230a_100015186869_100000754431 [0,1,0,1,0,0|0,0,2]=4 17401 B12R1.348 C=CCCN1CCCC(CC1)O 269982a_100015186869_100000754431 [0,1,0,1,0,0|0,0,2]=4 17402 B12R1.348 CC#CCN1CCCC(CC1)O 2230a_100015186869_100000748600 [0,1,0,1,0,0|0,0,2]=4 17403 B12R1.348 CC1CCCN(CC1)CCCF 2230a_100025706717_100011934791 [0,1,0,1,0,0|2,0,0]=4 17404 B12R1.348 CC1CCCN(CC1)CCCF 269982a_100025706717_100011934791 [0,1,0,1,0,0|2,0,0]=4 17405 B12R1.348 CC1CCCN(CC1)CCCF 34a_100025706717_100011934791 [0,1,0,1,0,0|2,0,0]=4 17406 B12R1.348 CC1CCCN(CC1)CCCO 2230a_100025706717_100000230001 [0,1,0,1,0,0|2,0,0]=4 17407 B12R1.348 CC1CCCN(CC1)CCCO 269982a_100025706717_100011215043 [0,1,0,1,0,0|2,0,0]=4 17408 B12R1.348 CC1CCCN(CC1)CCCO 34a_100025706717_100000230001 [0,1,0,1,0,0|2,0,0]=4 17409 B12R1.348 CC=CCN1CCCC(CC1)O 2230a_100015186869_100000070051 [0,1,0,1,0,0|0,0,2]=4 17410 B12R1.348 CCCCN1CCCC(CC1)C 2230a_100025706717_100000210211 [0,1,0,1,0,0|1,0,0]=3 17411 B12R1.348 CCCCN1CCCC(CC1)C 269982a_100025706717_100000210211 [0,1,0,1,0,0|1,0,0]=3 17412 B12R1.348 CCCCN1CCCC(CC1)C 34a_100025706717_100000210210 [0,1,0,1,0,0|1,0,0]=3 17413 B12R1.348 CCCCN1CCCC(CC1)O 2230a_100015186869_100000210211 [0,1,0,1,0,0|0,0,0]=2 17414 B12R1.348 CCCCN1CCCC(CC1)O 269982a_100015186869_100000210211 [0,1,0,1,0,0|0,0,0]=2 17415 B12R1.348 CCCCN1CCCN(CC1)C 2230a_100000211313_100000210211 [0,1,0,1,0,0|2,0,0]=4 17416 B12R1.348 CCCCN1CCCN(CC1)C 2230a_200011194251_200000210301 [0,1,0,1,0,0|2,0,0]=4 17417 B12R1.348 CCCCN1CCCN(CC1)C 269982a_100000211313_100000210211 [0,1,0,1,0,0|2,0,0]=4 17418 B12R1.348 CCCCN1CCCN(CC1)C 269982a_200011194251_200000210301 [0,1,0,1,0,0|2,0,0]=4 17419 B12R1.348 CCCCN1CCCN(CC1)[13CH3] 2230a_200011194251_200025704644 [0,1,0,1,0,0|2,0,0]=4 17420 B12R1.348 CCCCN1CCCN(CC1)[13CH3] 269982a_200011194251_200025704644 [0,1,0,1,0,0|2,0,0]=4 17421 B12R1.348 CCOCN1CCCC(CC1)C 269982a_100025706717_100000739092 [0,1,0,1,0,0|2,0,0]=4 17422 B12R1.348 CCOCN1CCCC(CC1)O 269982a_100015186869_100000739092 [0,1,0,1,0,0|1,0,0]=3 17423 B12R1.348 COCCN1CCCC(CC1)C 2230a_100025706717_100011201679 [0,1,0,1,0,0|2,0,0]=4 17424 B12R1.348 COCCN1CCCC(CC1)C 269982a_100025706717_100000233755 [0,1,0,1,0,0|2,0,0]=4 17425 B12R1.348 COCCN1CCCC(CC1)C 34a_100025706717_100011201679 [0,1,0,1,0,0|2,0,0]=4 17426 B12R1.348 COCCN1CCCC(CC1)O 2230a_100015186869_100011201679 [0,1,0,1,0,0|1,0,0]=3 17427 B12R1.348 COCCN1CCCC(CC1)O 269982a_100015186869_100000233755 [0,1,0,1,0,0|1,0,0]=3 17428 B12R1.348 CSCCN1CCCC(CC1)C 2230a_100025706717_100000751147 [0,1,0,1,0,0|2,0,0]=4 17429 B12R1.348 CSCCN1CCCC(CC1)C 269982a_100025706717_100000212216 [0,1,0,1,0,0|2,0,0]=4 17430 B12R1.348 CSCCN1CCCC(CC1)C 34a_100025706717_100000212216 [0,1,0,1,0,0|2,0,0]=4 17431 B12R1.348 CSCCN1CCCC(CC1)O 2230a_100015186869_100000751147 [0,1,0,1,0,0|1,0,0]=3 17432 B12R1.348 CSCCN1CCCC(CC1)O 269982a_100015186869_100000212216 [0,1,0,1,0,0|1,0,0]=3 17433 B12R1.348 N#CCCN1CCCC(CC1)O 2230a_100015186869_100011215226 [0,1,0,1,0,0|1,0,1]=4 17434 B12R1.348 N#CCCN1CCCC(CC1)O 269982a_100015186869_100011215226 [0,1,0,1,0,0|1,0,1]=4 17435 B12R1.348 OC1CCCN(CC1)CCCF 2230a_100015186869_100011934791 [0,1,0,1,0,0|1,0,0]=3 17436 B12R1.348 OC1CCCN(CC1)CCCF 269982a_100015186869_100011934791 [0,1,0,1,0,0|1,0,0]=3 17437 B12R1.348 OCCCN1CCCC(CC1)O 2230a_100015186869_100000230001 [0,1,0,1,0,0|1,0,0]=3 17438 B12R1.348 OCCCN1CCCC(CC1)O 269982a_100015186869_100011215043 [0,1,0,1,0,0|1,0,0]=3 17439 B12R1.372 CCCCCCN1CCC[C@@H]1C 2230a_100020605311_100000210314 [0,1,0,1,0,0|2,0,0]=4 17440 B12R1.372 CCCCCCN1CCC[C@@H]1C 269982a_100020605311_100000210757 [0,1,0,1,0,0|2,0,0]=4 17441 B12R1.372 CCCCCCN1CCC[C@H]1C 2230a_100015189458_100000210314 [0,1,0,1,0,0|2,0,0]=4 17442 B12R1.372 CCCCCCN1CCC[C@H]1C 269982a_100015189458_100000210757 [0,1,0,1,0,0|2,0,0]=4 17443 B12R1.372 CCCCCCN1CCC[C@H]1C 34a_100015189458_100000210314 [0,1,0,1,0,0|2,0,0]=4 17444 B12R1.372 CCCCCCN1CCSC1C 2230a_200011216479_100000210314 [0,1,0,1,0,0|2,0,0]=4 17445 B12R1.372 CCCCCCN1CCSC1C 269982a_200011216479_100000210757 [0,1,0,1,0,0|2,0,0]=4 17446 B12R1.372 CCCCCCN1CCSC1C 34a_200011216479_100000210314 [0,1,0,1,0,0|2,0,0]=4 17447 B12R1.372 CCCCCNC1CCCC1C 269862a_100000209983_100000752053 [0,1,0,1,0,0|2,0,0]=4 17448 B12R1.372 CCCCCNC1CCOC1C 270004a_100000209983_100000691750 [0,1,0,1,0,0|2,0,0]=4 17449 B12R1.372 CCCCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000210326 [0,1,0,1,0,0|1,0,0]=3 17450 B12R1.372 CCCCCOC1CCCC1C 34a_100011216460_100000718602 [0,1,0,1,0,0|2,0,0]=4 17451 B12R1.372 CCCCCOC1CCCC1C 7a_100011216460_100000210326 [0,1,0,1,0,0|2,0,0]=4 17452 B12R1.372 CCCCCOC1COCC1O 34a_100000210253_200000725654 [0,1,0,1,0,0|1,0,0]=3 17453 B12R1.372 CCCCCOC1COCC1O 7a_100000210253_200000725654 [0,1,0,1,0,0|1,0,0]=3 17454 B12R1.372 CCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000718602 [0,1,0,1,0,0|2,0,0]=4 17455 B12R1.372 CCCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000718602 [0,1,0,1,0,0|2,0,0]=4 17456 B12R1.372 CCCCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000718602 [0,1,0,1,0,0|2,0,0]=4 17457 B12R1.372 CCCCCO[C@H]1COC[C@@H]1N 34a_100015191717_100000718602 [0,1,0,1,0,0|2,0,0]=4 17458 B12R1.372 CCCCCSC1COCC1O 62a_100000210326_200000725654 [0,1,0,1,0,0|1,0,0]=3 17459 B12R1.372 CCCCCSC1COCC1O 62a_200000725654_100000210326 [0,1,0,1,0,0|1,0,0]=3 17460 B12R1.372 CCCCCS[C@@H]1CCC[C@H]1O 62a_100000210326_200016002552 [0,1,0,1,0,0|1,0,0]=3 17461 B12R1.372 CCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210326 [0,1,0,1,0,0|1,0,0]=3 17462 B12R1.372 CCOCCNC1COCC1O 34a_102516460346_200000725654 [0,1,0,1,0,0|2,0,0]=4 17463 B12R1.372 CCOCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100011215890 [0,1,0,1,0,0|2,0,0]=4 17464 B12R1.372 CCOCCOC1COCC1O 34a_100000210136_200000725654 [0,1,0,1,0,0|2,0,0]=4 17465 B12R1.372 CCOCCOC1COCC1O 7a_100000210136_200000725654 [0,1,0,1,0,0|2,0,0]=4 17466 B12R1.372 CCOCCSC1COCC1O 62a_100000210147_200000725654 [0,1,0,1,0,0|2,0,0]=4 17467 B12R1.372 CCOCCSC1COCC1O 62a_200000725654_100011215890 [0,1,0,1,0,0|2,0,0]=4 17468 B12R1.372 CCOCCS[C@@H]1CCC[C@H]1O 62a_100000210147_200016002552 [0,1,0,1,0,0|2,0,0]=4 17469 B12R1.372 CCOCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011215890 [0,1,0,1,0,0|2,0,0]=4 17470 B12R1.372 CCSCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000757381 [0,1,0,1,0,0|2,0,0]=4 17471 B12R1.372 CCSCCOC1COCC1O 34a_100000212035_200000725654 [0,1,0,1,0,0|2,0,0]=4 17472 B12R1.372 CCSCCOC1COCC1O 7a_100000212035_200000725654 [0,1,0,1,0,0|2,0,0]=4 17473 B12R1.372 CCSCCSC1COCC1O 62a_100000757381_200000725654 [0,1,0,1,0,0|2,0,0]=4 17474 B12R1.372 CCSCCSC1COCC1O 62a_200000725654_100000757381 [0,1,0,1,0,0|2,0,0]=4 17475 B12R1.372 CCSCCS[C@@H]1CCC[C@H]1O 62a_100000757381_200016002552 [0,1,0,1,0,0|2,0,0]=4 17476 B12R1.372 CCSCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000757381 [0,1,0,1,0,0|2,0,0]=4 17477 B12R1.372 CNCCCOC1COCC1O 34a_100000213112_200000725654 [0,1,0,1,0,0|2,0,0]=4 17478 B12R1.372 COCCCNC1COCC1O 34a_100150723488_200000725654 [0,1,0,1,0,0|2,0,0]=4 17479 B12R1.372 COCCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000740836 [0,1,0,1,0,0|2,0,0]=4 17480 B12R1.372 COCCCOC1COCC1O 34a_100000740835_200000725654 [0,1,0,1,0,0|2,0,0]=4 17481 B12R1.372 COCCCSC1COCC1O 62a_100000709357_200000725654 [0,1,0,1,0,0|2,0,0]=4 17482 B12R1.372 COCCCSC1COCC1O 62a_200000725654_100000709357 [0,1,0,1,0,0|2,0,0]=4 17483 B12R1.372 COCCCS[C@@H]1CCC[C@H]1O 62a_100000709357_200016002552 [0,1,0,1,0,0|2,0,0]=4 17484 B12R1.372 COCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000709357 [0,1,0,1,0,0|2,0,0]=4 17485 B12R1.372 CSCCCOC1COCC1O 34a_100000690336_200000725654 [0,1,0,1,0,0|2,0,0]=4 17486 B12R1.372 CSCCCOC1COCC1O 7a_100000690336_200000725654 [0,1,0,1,0,0|2,0,0]=4 17487 B12R1.372 NCCCCOC1COCC1O 34a_100000750430_200000725654 [0,1,0,1,0,0|2,0,0]=4 17488 B12R1.372 OC1COCC1OCCCCBr 34a_100011216708_200000725654 [0,1,0,1,0,0|2,0,0]=4 17489 B12R1.372 OC1COCC1OCCCCCl 34a_100000210776_200000725654 [0,1,0,1,0,0|2,0,0]=4 17490 B12R1.372 OC1COCC1OCCCCCl 7a_100000210776_200000725654 [0,1,0,1,0,0|2,0,0]=4 17491 B12R1.372 OC1COCC1OCCCCF 34a_100011995726_200000725654 [0,1,0,1,0,0|2,0,0]=4 17492 B12R1.372 OC1COCC1OCCCCF 7a_100011995726_200000725654 [0,1,0,1,0,0|2,0,0]=4 17493 B12R1.372 OC1COCC1OCCCCI 34a_200012148704_200000725654 [0,1,0,1,0,0|2,0,0]=4 17494 B12R1.372 OC1COCC1SCCCCF 62a_100000729493_200000725654 [0,1,0,1,0,0|2,0,0]=4 17495 B12R1.372 OC1COCC1SCCCCF 62a_200000725654_100000729493 [0,1,0,1,0,0|2,0,0]=4 17496 B12R1.372 OCCCCNC1COCC1O 34a_100000750430_200000725654 [0,1,0,1,0,0|2,0,0]=4 17497 B12R1.372 OCCCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000210776 [0,1,0,1,0,0|2,0,0]=4 17498 B12R1.372 OCCCCSC1COCC1O 62a_100000210776_200000725654 [0,1,0,1,0,0|2,0,0]=4 17499 B12R1.372 OCCCCSC1COCC1O 62a_200000725654_100000210776 [0,1,0,1,0,0|2,0,0]=4 17500 B12R1.372 OCCCCS[C@@H]1CCC[C@H]1O 62a_100000210776_200016002552 [0,1,0,1,0,0|2,0,0]=4 17501 B12R1.372 OCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210776 [0,1,0,1,0,0|2,0,0]=4 17502 B12R1.372 O[C@@H]1CCC[C@H]1SCCCCF 62a_100000729493_200016002552 [0,1,0,1,0,0|2,0,0]=4 17503 B12R1.372 O[C@@H]1CCC[C@H]1SCCCCF 62a_200016002552_100000729493 [0,1,0,1,0,0|2,0,0]=4 17504 B12R1.372 O[C@H]1COC[C@@H]1NCCCCF 2230a_100015191717_100000729493 [0,1,0,1,0,0|2,0,0]=4 17505 B12R1.923 CCCCCCCC(=O)C1CC1 1458a_100000210395_100000210614 [0,1,0,1,0,0|0,0,2]=4 17506 B12R1.923 CCCCCCCC(=O)C1CO1 1458a_100000701028_100000210614 [0,1,0,1,0,0|0,0,2]=4 17507 B12R1.923 CCCCCCCN(C)C1CC1 2230a_100000226674_100000210681 [0,1,0,1,0,0|2,0,0]=4 17508 B12R1.923 CCCCCCCN(C)C1CC1 269982a_100000226674_100000210681 [0,1,0,1,0,0|2,0,0]=4 17509 B12R1.923 CCCCCCCN(C)C1CC1 269982a_100000228206_100000211595 [0,1,0,1,0,0|2,0,0]=4 17510 B12R1.923 CCCCCCNC(C)C1CC1 2230a_100000700016_100000210314 [0,1,0,1,0,0|2,0,0]=4 17511 B12R1.923 CCCCCCNC(C)C1CC1 269862a_100000210581_100000210639 [0,1,0,1,0,0|2,0,0]=4 17512 B12R1.923 CCCCCCNC(C)C1CC1 34a_100000700016_100000210314 [0,1,0,1,0,0|2,0,0]=4 17513 B12R1.923 CCCCCCNC(C)C1CO1 270004a_100000210581_100000031964 [0,1,0,1,0,0|2,0,0]=4 17514 B12R1.923 CCCCCCOC(C)C1CC1 34a_100000744524_100000210314 [0,1,0,1,0,0|2,0,0]=4 17515 B12R1.923 CCCCCCOC(C)C1CC1 7a_100000744524_100000210314 [0,1,0,1,0,0|2,0,0]=4 17516 B12R1.923 CCCCCNCC(O)C1CC1 2230a_100000751198_100000210326 [0,1,0,1,0,0|1,0,0]=3 17517 B12R1.923 CCCCCNCC(O)C1CC1 34a_100000751198_100000718602 [0,1,0,1,0,0|1,0,0]=3 17518 B12R1.923 CCCCCOC[C@H](N)C1CC1 34a_100020623730_100000718602 [0,1,0,1,0,0|2,0,0]=4 17519 B12R1.923 CCOCCNCC(O)C1CC1 2230a_100000751198_100011215890 [0,1,0,1,0,0|2,0,0]=4 17520 B12R1.923 CCOCCNCC(O)C1CC1 34a_100000751198_100000210147 [0,1,0,1,0,0|2,0,0]=4 17521 B12R1.923 CCSCCNCC(O)C1CC1 2230a_100000751198_100000757381 [0,1,0,1,0,0|2,0,0]=4 17522 B12R1.923 CCSCCNCC(O)C1CC1 34a_100000751198_100000757381 [0,1,0,1,0,0|2,0,0]=4 17523 B12R1.923 COCCCNCC(O)C1CC1 2230a_100000751198_100000740836 [0,1,0,1,0,0|2,0,0]=4 17524 B12R1.923 COCCCNCC(O)C1CC1 34a_100000751198_100000740836 [0,1,0,1,0,0|2,0,0]=4 17525 B12R1.923 OC(CNCCCCF)C1CC1 2230a_100000751198_100000729493 [0,1,0,1,0,0|2,0,0]=4 17526 B12R1.923 OC(CNCCCCF)C1CC1 34a_100000751198_100000729493 [0,1,0,1,0,0|2,0,0]=4 17527 B12R1.923 OCCCCNCC(O)C1CC1 2230a_100000751198_100000210776 [0,1,0,1,0,0|2,0,0]=4 17528 B12R1.923 OCCCCNCC(O)C1CC1 34a_100000751198_100011216708 [0,1,0,1,0,0|2,0,0]=4 17529 B12R1.1419 CCCCCN1CC(C1)COC 2230a_100016993750_100000210326 [0,1,0,1,0,0|2,0,0]=4 17530 B12R1.1419 CCCCCN1CC(C1)COC 269982a_100016993750_100000210215 [0,1,0,1,0,0|2,0,0]=4 17531 B12R1.1419 CCCCCN1CC(C1)COC 34a_100016993750_100000718602 [0,1,0,1,0,0|2,0,0]=4 17532 B12R1.1419 CCCCCN1CC(C1)OCC 269982a_100000732654_100000210215 [0,1,0,1,0,0|2,0,0]=4 17533 B12R1.1419 CCCCCN1CC(C1)OCC 34a_100000732654_100000718602 [0,1,0,1,0,0|2,0,0]=4 17534 B12R1.1419 CCCCNC1CC(C1)COC 2230a_100012180050_100000210211 [0,1,0,1,0,0|2,0,0]=4 17535 B12R1.1419 CCCCNC1CC(C1)COC 270004a_100000102301_100010371266 [0,1,0,1,0,0|2,0,0]=4 17536 B12R1.1505 CC1CC1COC[C@@H](O)CC#N 7a_100000744939_100000001066 [0,1,0,1,0,0|1,0,1]=4 17537 B12R1.1505 CCCC(C)COCC1CC1C 34a_100000744939_100011216630 [0,1,0,1,0,0|2,0,0]=4 17538 B12R1.1505 CCCC(C)COCC1CC1C 7a_100000744939_100011216630 [0,1,0,1,0,0|2,0,0]=4 17539 B12R1.1505 COCC(O)COCC1CC1C 34a_100000744939_100011215053 [0,1,0,1,0,0|1,0,0]=3 17540 B12R1.1505 COCC(O)COCC1CC1C 7a_100000744939_100011215053 [0,1,0,1,0,0|1,0,0]=3 17541 B12R1.1564 CC(CCO)N1CCCCCC1 2230a_100000185865_100009893172 [0,1,0,1,0,0|2,0,0]=4 17542 B12R1.1564 CC(CCO)N1CCCCCC1 269982a_100000185865_100009893172 [0,1,0,1,0,0|2,0,0]=4 17543 B12R1.1564 CC(CCO)N1CCCCCC1 34a_100000185865_100009893172 [0,1,0,1,0,0|2,0,0]=4 17544 B12R1.1564 CCCC(=O)C1CCCCCC1 1458a_100000211992_100011217769 [0,1,0,1,0,0|0,0,2]=4 17545 B12R1.1564 CCCC(=O)C1CCCCCC1 1458a_100000749507_100000210303 [0,1,0,1,0,0|0,0,2]=4 17546 B12R1.1564 CCCC(C)N1CCCCCC1 2230a_100000185865_100000766640 [0,1,0,1,0,0|2,0,0]=4 17547 B12R1.1564 CCCC(C)N1CCCCCC1 269982a_100000185865_100000766640 [0,1,0,1,0,0|2,0,0]=4 17548 B12R1.1564 CCCC(C)N1CCCCCC1 270004a_100000185865_100000211909 [0,1,0,1,0,0|2,0,0]=4 17549 B12R1.1564 CCCC(C)N1CCCCCC1 34a_100000185865_100000766640 [0,1,0,1,0,0|2,0,0]=4 17550 B12R1.1564 CCCN(C)C1CCCCCC1 2230a_100015185097_100000210303 [0,1,0,1,0,0|2,0,0]=4 17551 B12R1.1564 CCCN(C)C1CCCCCC1 2230a_100015187045_200000210301 [0,1,0,1,0,0|2,0,0]=4 17552 B12R1.1564 CCCN(C)C1CCCCCC1 269982a_100000747261_100011217769 [0,1,0,1,0,0|2,0,0]=4 17553 B12R1.1564 CCCN(C)C1CCCCCC1 269982a_100015185097_100000210303 [0,1,0,1,0,0|2,0,0]=4 17554 B12R1.1564 CCCN(C)C1CCCCCC1 269982a_100015187045_200000210301 [0,1,0,1,0,0|2,0,0]=4 17555 B12R1.1564 CCCN(C)C1CCCCCC1 270004a_100000747261_100000210131 [0,1,0,1,0,0|2,0,0]=4 17556 B12R1.1564 CCCN(C)C1CCCCCC1 34a_100015185097_100000210303 [0,1,0,1,0,0|2,0,0]=4 17557 B12R1.1564 CCCN(C)C1CCCCCC1 34a_100015187045_200000210301 [0,1,0,1,0,0|2,0,0]=4 17558 B12R1.1564 CCCN([13CH3])C1CCCCCC1 2230a_100015187045_200025704644 [0,1,0,1,0,0|2,0,0]=4 17559 B12R1.1564 CCCN([13CH3])C1CCCCCC1 269982a_100015187045_200025704644 [0,1,0,1,0,0|2,0,0]=4 17560 B12R1.1564 CCCN([13CH3])C1CCCCCC1 34a_100015187045_200025704644 [0,1,0,1,0,0|2,0,0]=4 17561 B12R1.1564 CCNC(=O)C1CCCCCC1 11a_100015525214_100000749507 [0,1,0,1,0,0|0,0,2]=4 17562 B12R1.1564 CCNC(=O)C1CCCCCC1 240690a_100015525214_100000749507 [0,1,0,1,0,0|0,0,2]=4 17563 B12R1.1564 CCNC(=O)C1CCCCCC1 527a_100015525214_100000749507 [0,1,0,1,0,0|0,0,2]=4 17564 B12R1.1564 CN(CCF)C1CCCCCC1 2230a_100015185097_100011217306 [0,1,0,1,0,0|2,0,0]=4 17565 B12R1.1564 CN(CCF)C1CCCCCC1 269982a_100015185097_100011217306 [0,1,0,1,0,0|2,0,0]=4 17566 B12R1.1564 CN(CCF)C1CCCCCC1 34a_100015185097_100011217306 [0,1,0,1,0,0|2,0,0]=4 17567 B12R1.1564 CN(CCO)C1CCCCCC1 2230a_100015185097_100000211926 [0,1,0,1,0,0|2,0,0]=4 17568 B12R1.1564 CN(CCO)C1CCCCCC1 269982a_100000210263_100011217769 [0,1,0,1,0,0|2,0,0]=4 17569 B12R1.1564 CN(CCO)C1CCCCCC1 269982a_100015185097_100000211926 [0,1,0,1,0,0|2,0,0]=4 17570 B12R1.1564 CN(CCO)C1CCCCCC1 270004a_100000210263_100000210131 [0,1,0,1,0,0|2,0,0]=4 17571 B12R1.1564 CN(CCO)C1CCCCCC1 34a_100015185097_100000211926 [0,1,0,1,0,0|2,0,0]=4 17572 B12R1.1564 COCC(=O)C1CCCCCC1 1458a_100000210968_100011217769 [0,1,0,1,0,0|0,0,2]=4 17573 B12R1.1564 COCC(C)N1CCCCCC1 2230a_100000185865_100000765312 [0,1,0,1,0,0|2,0,0]=4 17574 B12R1.1564 COCC(C)N1CCCCCC1 269982a_100000185865_100000765312 [0,1,0,1,0,0|2,0,0]=4 17575 B12R1.1564 COCC(C)N1CCCCCC1 270004a_100000185865_100000749346 [0,1,0,1,0,0|2,0,0]=4 17576 B12R1.1564 COCC(C)N1CCCCCC1 34a_100000185865_100000765312 [0,1,0,1,0,0|2,0,0]=4 17577 B12R1.1564 COCN(C)C1CCCCCC1 2230a_100015185097_100000766300 [0,1,0,1,0,0|2,0,0]=4 17578 B12R1.1564 COCN(C)C1CCCCCC1 269982a_100015185097_100000766300 [0,1,0,1,0,0|2,0,0]=4 17579 B12R1.1564 CSCC(=O)C1CCCCCC1 1458a_100000184570_100011217769 [0,1,0,1,0,0|0,0,2]=4 17580 B12R1.1564 CSCC(C)N1CCCCCC1 270004a_100000185865_100011216314 [0,1,0,1,0,0|2,0,0]=4 17581 B12R1.1564 CSCN(C)C1CCCCCC1 2230a_100015185097_100011218213 [0,1,0,1,0,0|2,0,0]=4 17582 B12R1.1564 CSCN(C)C1CCCCCC1 269982a_100015185097_100011218213 [0,1,0,1,0,0|2,0,0]=4 17583 B12R1.1564 CSCN(C)C1CCCCCC1 34a_100015185097_100011218213 [0,1,0,1,0,0|2,0,0]=4 17584 B12R1.1564 O=C(CCF)C1CCCCCC1 1458a_100000749507_100011217306 [0,1,0,1,0,0|0,0,2]=4 17585 B12R1.1564 O=C(CCO)C1CCCCCC1 1458a_100000749507_100000211926 [0,1,0,1,0,0|0,0,2]=4 17586 B12R1.1564 O=C(CCO)C1CCCCCC1 1458a_100011216618_100011217769 [0,1,0,1,0,0|0,0,2]=4 17587 B12R1.1996 CCCCCCNC1(CCC1)C 2230a_100000692455_100000210314 [0,1,0,1,0,0|2,0,0]=4 17588 B12R1.1996 CCCCCCNC1(CCC1)C 34a_100000692455_100000210314 [0,1,0,1,0,0|2,0,0]=4 17589 B12R1.1996 CCCCCCNC1(COC1)C 2230a_100000732644_100000210314 [0,1,0,1,0,0|2,0,0]=4 17590 B12R1.1996 CCCCCCOC1(CCC1)C 34a_100000759064_100000210314 [0,1,0,1,0,0|2,0,0]=4 17591 B12R1.1996 CCCCCCOC1(CCC1)C 7a_100000759064_100000210314 [0,1,0,1,0,0|2,0,0]=4 17592 B12R1.1996 CCCCCCOC1(CSC1)C 7a_100016018533_100000210314 [0,1,0,1,0,0|2,0,0]=4 17593 B12R1.1996 CCCCCNCC1(CCC1)C 2230a_100000209983_100000726658 [0,1,0,1,0,0|2,0,0]=4 17594 B12R1.1996 CCCCCNCC1(CCC1)C 2230a_100000706607_100000210326 [0,1,0,1,0,0|2,0,0]=4 17595 B12R1.1996 CCCCCNCC1(CCC1)O 2230a_100000752638_100000210326 [0,1,0,1,0,0|1,0,0]=3 17596 B12R1.1996 CCCCCNCC1(COC1)C 2230a_100000209983_100000066812 [0,1,0,1,0,0|2,0,0]=4 17597 B12R1.1996 CCCCCNCC1(COC1)C 2230a_100020631278_100000210326 [0,1,0,1,0,0|2,0,0]=4 17598 B12R1.1996 CCCCCNCC1(COC1)C 269862a_100000209983_100000050806 [0,1,0,1,0,0|2,0,0]=4 17599 B12R1.1996 CCCCCNCC1(COC1)O 2230a_100010264505_100000210326 [0,1,0,1,0,0|1,0,0]=3 17600 B12R1.1996 CCCCCOCC1(CCC1)C 34a_100000210253_100000726658 [0,1,0,1,0,0|2,0,0]=4 17601 B12R1.1996 CCCCCOCC1(CCC1)C 7a_100000210253_100000726658 [0,1,0,1,0,0|2,0,0]=4 17602 B12R1.1996 CCCCCOCC1(COC1)C 34a_100000210253_100009817586 [0,1,0,1,0,0|2,0,0]=4 17603 B12R1.1996 CCCCCOCC1(COC1)C 7a_100000210253_100009817586 [0,1,0,1,0,0|2,0,0]=4 17604 B12R1.1996 CCCCCOCC1(CSC1)C 34a_100000732658_100000718602 [0,1,0,1,0,0|2,0,0]=4 17605 B12R1.1996 CCCCCOCC1(CSC1)C 7a_100000732658_100000210326 [0,1,0,1,0,0|2,0,0]=4 17606 B12R1.1996 CCCCCSCC1(CCC1)C 62a_100000210326_100000726658 [0,1,0,1,0,0|2,0,0]=4 17607 B12R1.1996 CCCCCSCC1(CCC1)C 62a_100000726658_100000210326 [0,1,0,1,0,0|2,0,0]=4 17608 B12R1.1996 CCCCCSCC1(COC1)C 62a_100000210326_100009817586 [0,1,0,1,0,0|2,0,0]=4 17609 B12R1.1996 CCCCCSCC1(COC1)C 62a_100009817586_100000210326 [0,1,0,1,0,0|2,0,0]=4 17610 B12R1.1996 CCOCCNCC1(CCC1)O 2230a_100000752638_100011215890 [0,1,0,1,0,0|2,0,0]=4 17611 B12R1.1996 CCOCCNCC1(COC1)O 2230a_100010264505_100011215890 [0,1,0,1,0,0|2,0,0]=4 17612 B12R1.1996 CCSCCNCC1(CCC1)O 2230a_100000752638_100000757381 [0,1,0,1,0,0|2,0,0]=4 17613 B12R1.1996 CCSCCNCC1(COC1)O 2230a_100010264505_100000757381 [0,1,0,1,0,0|2,0,0]=4 17614 B12R1.1996 COCCCNCC1(CCC1)O 2230a_100000752638_100000740836 [0,1,0,1,0,0|2,0,0]=4 17615 B12R1.1996 COCCCNCC1(COC1)O 2230a_100010264505_100000740836 [0,1,0,1,0,0|2,0,0]=4 17616 B12R1.1996 OC1(CCC1)CNCCCCF 2230a_100000752638_100000729493 [0,1,0,1,0,0|2,0,0]=4 17617 B12R1.1996 OC1(COC1)CNCCCCF 2230a_100010264505_100000729493 [0,1,0,1,0,0|2,0,0]=4 17618 B12R1.1996 OCCCCNCC1(CCC1)O 2230a_100000752638_100000210776 [0,1,0,1,0,0|2,0,0]=4 17619 B12R1.1996 OCCCCNCC1(COC1)O 2230a_100010264505_100000210776 [0,1,0,1,0,0|2,0,0]=4 17620 B12R1.1 C#CCCCN1CCC(CC1)O 2230a_100025773856_100000731252 [0,1,0,1,0,0|0,0,2]=4 17621 B12R1.1 C#CCCCN1CCC(CC1)O 269982a_100025773856_100011215417 [0,1,0,1,0,0|0,0,2]=4 17622 B12R1.1 C=C1CCC(CC1)COCCC 34a_100000074039_100000210303 [0,1,0,1,0,0|1,0,1]=4 17623 B12R1.1 C=C1CCC(CC1)NCCCC 270004a_100000102301_100010272673 [0,1,0,1,0,0|1,0,1]=4 17624 B12R1.1 C=C1CCN(CC1)CCCCC 2230a_100000752442_100000210326 [0,1,0,1,0,0|1,0,1]=4 17625 B12R1.1 C=C1CCN(CC1)CCCCC 269982a_100000752442_100000210215 [0,1,0,1,0,0|1,0,1]=4 17626 B12R1.1 C=C1CCN(CC1)CCCCC 34a_100000752442_100000718602 [0,1,0,1,0,0|1,0,1]=4 17627 B12R1.1 C=CCCCN1CCC(CC1)O 2230a_100025773856_100011713584 [0,1,0,1,0,0|0,0,2]=4 17628 B12R1.1 C=CCCCN1CCC(CC1)O 269982a_100025773856_100000757094 [0,1,0,1,0,0|0,0,2]=4 17629 B12R1.1 C=CCCNC1CCC(CC1)O 270004a_100015191253_100000764474 [0,1,0,1,0,0|0,0,2]=4 17630 B12R1.1 CC/C=C\CN1CCC(CC1)O 2230a_100025773856_100103147603 [0,1,0,1,0,0|0,0,2]=4 17631 B12R1.1 CC/C=C\CN1CCC(CC1)O 269982a_100025773856_100103147603 [0,1,0,1,0,0|0,0,2]=4 17632 B12R1.1 CC1CCC(CC1)CNCCF 2230a_103436935547_100011217306 [0,1,0,1,0,0|2,0,0]=4 17633 B12R1.1 CC1CCC(CC1)CNCCF 34a_103436935547_100011217306 [0,1,0,1,0,0|2,0,0]=4 17634 B12R1.1 CC1CCC(CC1)CNCCO 2230a_103436935547_100000211926 [0,1,0,1,0,0|2,0,0]=4 17635 B12R1.1 CC1CCC(CC1)CNCCO 34a_103436935547_100000211926 [0,1,0,1,0,0|2,0,0]=4 17636 B12R1.1 CC1CCC(CC1)COCCF 34a_100000701341_100011217306 [0,1,0,1,0,0|2,0,0]=4 17637 B12R1.1 CC1CCC(CC1)COCCO 34a_100000701341_100000211926 [0,1,0,1,0,0|2,0,0]=4 17638 B12R1.1 CC1CCC(CC1)NCCCF 270004a_100015189416_100000185489 [0,1,0,1,0,0|2,0,0]=4 17639 B12R1.1 CC1CCC(CC1)NCCCF 34a_100015189416_200011216234 [0,1,0,1,0,0|2,0,0]=4 17640 B12R1.1 CC1CCC(CC1)NCCCO 270004a_100000182051_100000185489 [0,1,0,1,0,0|2,0,0]=4 17641 B12R1.1 CC1CCC(CC1)OCCCBr 34a_100011217188_200011216234 [0,1,0,1,0,0|2,0,0]=4 17642 B12R1.1 CC1CCC(CC1)OCCCCl 34a_100000230001_200011216234 [0,1,0,1,0,0|2,0,0]=4 17643 B12R1.1 CC1CCC(CC1)OCCCF 34a_100000210714_100011934791 [0,1,0,1,0,0|2,0,0]=4 17644 B12R1.1 CC1CCC(CC1)OCCCF 34a_100000759539_200011216234 [0,1,0,1,0,0|2,0,0]=4 17645 B12R1.1 CC1CCC(CC1)OCCCF 7a_100000210714_100011934791 [0,1,0,1,0,0|2,0,0]=4 17646 B12R1.1 CC1CCC(CC1)OCCCN 34a_100000182051_200011216234 [0,1,0,1,0,0|2,0,0]=4 17647 B12R1.1 CC1CCC(CC1)OCCCO 34a_100000210714_100000230001 [0,1,0,1,0,0|2,0,0]=4 17648 B12R1.1 CC1CCC(CC1)OCCCO 7a_100000210714_100011215043 [0,1,0,1,0,0|2,0,0]=4 17649 B12R1.1 CC1CCC(CC1)SCCCF 62a_100011934791_200011216234 [0,1,0,1,0,0|2,0,0]=4 17650 B12R1.1 CC1CCC(CC1)SCCCO 62a_100011215043_200011216234 [0,1,0,1,0,0|2,0,0]=4 17651 B12R1.1 CC1CCN(CC1)CCCCF 2230a_100000188429_100000729493 [0,1,0,1,0,0|2,0,0]=4 17652 B12R1.1 CC1CCN(CC1)CCCCF 269982a_100000188429_100000729493 [0,1,0,1,0,0|2,0,0]=4 17653 B12R1.1 CC1CCN(CC1)CCCCF 34a_100000188429_100000729493 [0,1,0,1,0,0|2,0,0]=4 17654 B12R1.1 CC1CCN(CC1)CCCCO 2230a_100000188429_100000210776 [0,1,0,1,0,0|2,0,0]=4 17655 B12R1.1 CC1CCN(CC1)CCCCO 269982a_100000188429_100000210776 [0,1,0,1,0,0|2,0,0]=4 17656 B12R1.1 CC1CCN(CC1)CCCCO 34a_100000188429_100011216708 [0,1,0,1,0,0|2,0,0]=4 17657 B12R1.1 CC1CCN(CC1)CCCO[13CH3] 34a_200000213400_200025704644 [0,1,0,1,0,0|2,0,0]=4 17658 B12R1.1 CCC#CCN1CCC(CC1)O 2230a_100025773856_100009813939 [0,1,0,1,0,0|0,0,2]=4 17659 B12R1.1 CCCCCN1CCC(CC1)C 2230a_100000188429_100000210326 [0,1,0,1,0,0|1,0,0]=3 17660 B12R1.1 CCCCCN1CCC(CC1)C 269982a_100000188429_100000210215 [0,1,0,1,0,0|1,0,0]=3 17661 B12R1.1 CCCCCN1CCC(CC1)C 34a_100000188429_100000718602 [0,1,0,1,0,0|1,0,0]=3 17662 B12R1.1 CCCCCN1CCC(CC1)F 2230a_100015193889_100000210326 [0,1,0,1,0,0|1,0,0]=3 17663 B12R1.1 CCCCCN1CCC(CC1)F 269982a_100015193889_100000210215 [0,1,0,1,0,0|1,0,0]=3 17664 B12R1.1 CCCCCN1CCC(CC1)F 34a_100015193889_100000718602 [0,1,0,1,0,0|1,0,0]=3 17665 B12R1.1 CCCCCN1CCC(CC1)O 2230a_100025773856_100000210326 [0,1,0,1,0,0|0,0,0]=2 17666 B12R1.1 CCCCCN1CCC(CC1)O 269982a_100025773856_100000210215 [0,1,0,1,0,0|0,0,0]=2 17667 B12R1.1 CCCCCN1CCN(CC1)C 2230a_100000188432_100000210326 [0,1,0,1,0,0|2,0,0]=4 17668 B12R1.1 CCCCCN1CCN(CC1)C 2230a_100011207891_200000210301 [0,1,0,1,0,0|2,0,0]=4 17669 B12R1.1 CCCCCN1CCN(CC1)C 269982a_100000188432_100000210215 [0,1,0,1,0,0|2,0,0]=4 17670 B12R1.1 CCCCCN1CCN(CC1)C 269982a_100011207891_200000210301 [0,1,0,1,0,0|2,0,0]=4 17671 B12R1.1 CCCCCN1CCN(CC1)[13CH3] 2230a_100011207891_200025704644 [0,1,0,1,0,0|2,0,0]=4 17672 B12R1.1 CCCCCN1CCN(CC1)[13CH3] 269982a_100011207891_200025704644 [0,1,0,1,0,0|2,0,0]=4 17673 B12R1.1 CCCCCN1CCS(=O)CC1 2230a_100000752083_100000210326 [0,1,0,1,0,0|1,0,1]=4 17674 B12R1.1 CCCCCN1CCS(=O)CC1 269982a_100000752083_100000210215 [0,1,0,1,0,0|1,0,1]=4 17675 B12R1.1 CCCCNC1CCC(CC1)C 270004a_100000102301_100000185489 [0,1,0,1,0,0|1,0,0]=3 17676 B12R1.1 CCCCNC1CCC(CC1)O 270004a_100000102301_100000764474 [0,1,0,1,0,0|0,0,0]=2 17677 B12R1.1 CCCCNC1CCN(CC1)C 270004a_100000102301_100000210137 [0,1,0,1,0,0|2,0,0]=4 17678 B12R1.1 CCCCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000210211 [0,1,0,1,0,0|1,0,0]=3 17679 B12R1.1 CCCCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000210210 [0,1,0,1,0,0|1,0,0]=3 17680 B12R1.1 CCCCOC1CCC(=O)CC1 34a_100000764474_100000210210 [0,1,0,1,0,0|0,0,2]=4 17681 B12R1.1 CCCCOC1CCC(=O)CC1 7a_100000764474_100000210211 [0,1,0,1,0,0|0,0,2]=4 17682 B12R1.1 CCCCOC1CCC(CC1)C 34a_100000210227_200011216234 [0,1,0,1,0,0|1,0,0]=3 17683 B12R1.1 CCCCOC1CCC(CC1)C 34a_100000210714_100000210210 [0,1,0,1,0,0|1,0,0]=3 17684 B12R1.1 CCCCOC1CCC(CC1)C 7a_100000210714_100000210211 [0,1,0,1,0,0|1,0,0]=3 17685 B12R1.1 CCCCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000210210 [0,1,0,1,0,0|1,0,0]=3 17686 B12R1.1 CCCCSC1CCC(CC1)C 62a_100000210211_200011216234 [0,1,0,1,0,0|1,0,0]=3 17687 B12R1.1 CCCCSC1CCN(CC1)C 62a_100000210211_100011215917 [0,1,0,1,0,0|2,0,0]=4 17688 B12R1.1 CCCNCC1CCC(CC1)C 2230a_103436935547_100000210303 [0,1,0,1,0,0|1,0,0]=3 17689 B12R1.1 CCCNCC1CCC(CC1)C 34a_103436935547_100000210303 [0,1,0,1,0,0|1,0,0]=3 17690 B12R1.1 CCCNN=C1CCC(CC1)O 4a_100000740057_100000764474 [0,1,0,1,0,0|1,0,1]=4 17691 B12R1.1 CCCOCC1CCC(=O)CC1 34a_100000062911_100000210303 [0,1,0,1,0,0|0,0,2]=4 17692 B12R1.1 CCCOCC1CCC(CC1)C 34a_100000701341_100000210303 [0,1,0,1,0,0|1,0,0]=3 17693 B12R1.1 CCCOC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100000210303 [0,1,0,1,0,0|1,0,0]=3 17694 B12R1.1 CCCSCC1CCN(CC1)C 62a_100000210303_100015183002 [0,1,0,1,0,0|2,0,0]=4 17695 B12R1.1 CCCSCC1CCN(CC1)C 62a_100015183002_100000210303 [0,1,0,1,0,0|2,0,0]=4 17696 B12R1.1 CCNCCC1CCC(CC1)O 34a_200011935226_100000210202 [0,1,0,1,0,0|0,0,0]=2 17697 B12R1.1 CCOCCC1CCC(CC1)N 34a_100000070672_100000210202 [0,1,0,1,0,0|1,0,0]=3 17698 B12R1.1 CCOCCN1CCC(CC1)C 2230a_100000188429_100011215890 [0,1,0,1,0,0|2,0,0]=4 17699 B12R1.1 CCOCCN1CCC(CC1)C 269982a_100000188429_100011215890 [0,1,0,1,0,0|2,0,0]=4 17700 B12R1.1 CCOCCN1CCC(CC1)C 34a_100000188429_100000210147 [0,1,0,1,0,0|2,0,0]=4 17701 B12R1.1 CCOCCN1CCC(CC1)F 2230a_100015193889_100011215890 [0,1,0,1,0,0|2,0,0]=4 17702 B12R1.1 CCOCCN1CCC(CC1)F 269982a_100015193889_100011215890 [0,1,0,1,0,0|2,0,0]=4 17703 B12R1.1 CCOCCN1CCC(CC1)F 34a_100015193889_100000210147 [0,1,0,1,0,0|2,0,0]=4 17704 B12R1.1 CCOCCN1CCC(CC1)O 2230a_100025773856_100011215890 [0,1,0,1,0,0|1,0,0]=3 17705 B12R1.1 CCOCCN1CCC(CC1)O 269982a_100025773856_100011215890 [0,1,0,1,0,0|1,0,0]=3 17706 B12R1.1 CCOCSC1CCC(CC1)C 62a_100000739092_200011216234 [0,1,0,1,0,0|2,0,0]=4 17707 B12R1.1 CCSCCN1CCC(CC1)C 2230a_100000188429_100000757381 [0,1,0,1,0,0|2,0,0]=4 17708 B12R1.1 CCSCCN1CCC(CC1)C 269982a_100000188429_100000757381 [0,1,0,1,0,0|2,0,0]=4 17709 B12R1.1 CCSCCN1CCC(CC1)C 34a_100000188429_100000757381 [0,1,0,1,0,0|2,0,0]=4 17710 B12R1.1 CCSCCN1CCC(CC1)F 2230a_100015193889_100000757381 [0,1,0,1,0,0|2,0,0]=4 17711 B12R1.1 CCSCCN1CCC(CC1)F 269982a_100015193889_100000757381 [0,1,0,1,0,0|2,0,0]=4 17712 B12R1.1 CCSCCN1CCC(CC1)F 34a_100015193889_100000757381 [0,1,0,1,0,0|2,0,0]=4 17713 B12R1.1 CCSCCN1CCC(CC1)O 2230a_100025773856_100000757381 [0,1,0,1,0,0|1,0,0]=3 17714 B12R1.1 CCSCCN1CCC(CC1)O 269982a_100025773856_100000757381 [0,1,0,1,0,0|1,0,0]=3 17715 B12R1.1 CN1CCC(CC1)CCCCO 2230a_100016989291_200000210301 [0,1,0,1,0,0|2,0,0]=4 17716 B12R1.1 CN1CCC(CC1)CCCCO 269982a_100016989291_200000210301 [0,1,0,1,0,0|2,0,0]=4 17717 B12R1.1 CN1CCC(CC1)CCCCO 34a_100016989291_200000210301 [0,1,0,1,0,0|2,0,0]=4 17718 B12R1.1 CN1CCC(CC1)CCCO[13CH3] 34a_100000083870_200025704644 [0,1,0,1,0,0|2,0,0]=4 17719 B12R1.1 CN1CCC(CC1)CCCO[13CH3] 7a_100000083870_200025704644 [0,1,0,1,0,0|2,0,0]=4 17720 B12R1.1 COCCCC1CCN(CC1)C 34a_100000083870_200000210301 [0,1,0,1,0,0|2,0,0]=4 17721 B12R1.1 COCCCC1CCN(CC1)C 7a_100000083870_200000210301 [0,1,0,1,0,0|2,0,0]=4 17722 B12R1.1 COCCCN1CCC(CC1)C 2230a_100000188429_100000740836 [0,1,0,1,0,0|2,0,0]=4 17723 B12R1.1 COCCCN1CCC(CC1)C 269982a_100000188429_100000740836 [0,1,0,1,0,0|2,0,0]=4 17724 B12R1.1 COCCCN1CCC(CC1)C 34a_100000188429_100000740836 [0,1,0,1,0,0|2,0,0]=4 17725 B12R1.1 COCCCN1CCC(CC1)C 34a_200000213400_200000210301 [0,1,0,1,0,0|2,0,0]=4 17726 B12R1.1 COCCCN1CCC(CC1)F 2230a_100015193889_100000740836 [0,1,0,1,0,0|2,0,0]=4 17727 B12R1.1 COCCCN1CCC(CC1)F 269982a_100015193889_100000740836 [0,1,0,1,0,0|2,0,0]=4 17728 B12R1.1 COCCCN1CCC(CC1)F 34a_100015193889_100000740836 [0,1,0,1,0,0|2,0,0]=4 17729 B12R1.1 COCCCN1CCC(CC1)O 2230a_100025773856_100000740836 [0,1,0,1,0,0|1,0,0]=3 17730 B12R1.1 COCCCN1CCC(CC1)O 269982a_100025773856_100000740836 [0,1,0,1,0,0|1,0,0]=3 17731 B12R1.1 COCCNC1CCC(CC1)C 270004a_100000209980_100000185489 [0,1,0,1,0,0|2,0,0]=4 17732 B12R1.1 COCCNC1CCC(CC1)O 270004a_100000209980_100000764474 [0,1,0,1,0,0|1,0,0]=3 17733 B12R1.1 COCCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100011201679 [0,1,0,1,0,0|2,0,0]=4 17734 B12R1.1 COCCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100011201679 [0,1,0,1,0,0|2,0,0]=4 17735 B12R1.1 COCCOC1CCC(CC1)C 34a_100000210237_200011216234 [0,1,0,1,0,0|2,0,0]=4 17736 B12R1.1 COCCOC1CCC(CC1)C 34a_100000210714_100011201679 [0,1,0,1,0,0|2,0,0]=4 17737 B12R1.1 COCCOC1CCC(CC1)C 7a_100000210714_100000233755 [0,1,0,1,0,0|2,0,0]=4 17738 B12R1.1 COCCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100011201679 [0,1,0,1,0,0|2,0,0]=4 17739 B12R1.1 COCCSC1CCC(CC1)C 62a_100000233755_200011216234 [0,1,0,1,0,0|2,0,0]=4 17740 B12R1.1 COCNCC1CCC(CC1)C 2230a_103436935547_100000766300 [0,1,0,1,0,0|2,0,0]=4 17741 B12R1.1 CSCCNC1CCC(CC1)C 270004a_100020590264_100000185489 [0,1,0,1,0,0|2,0,0]=4 17742 B12R1.1 CSCCNC1CCC(CC1)O 270004a_100020590264_100000764474 [0,1,0,1,0,0|1,0,0]=3 17743 B12R1.1 CSCCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000751147 [0,1,0,1,0,0|2,0,0]=4 17744 B12R1.1 CSCCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000212216 [0,1,0,1,0,0|2,0,0]=4 17745 B12R1.1 CSCCOC1CCC(CC1)C 34a_100000210714_100000212216 [0,1,0,1,0,0|2,0,0]=4 17746 B12R1.1 CSCCOC1CCC(CC1)C 34a_100000230434_200011216234 [0,1,0,1,0,0|2,0,0]=4 17747 B12R1.1 CSCCOC1CCC(CC1)C 7a_100000210714_100000212216 [0,1,0,1,0,0|2,0,0]=4 17748 B12R1.1 CSCCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000212216 [0,1,0,1,0,0|2,0,0]=4 17749 B12R1.1 CSCCSC1CCC(CC1)C 62a_100000212216_200011216234 [0,1,0,1,0,0|2,0,0]=4 17750 B12R1.1 CSCNCC1CCC(CC1)C 2230a_103436935547_100011218213 [0,1,0,1,0,0|2,0,0]=4 17751 B12R1.1 CSCNCC1CCC(CC1)C 34a_103436935547_100011218213 [0,1,0,1,0,0|2,0,0]=4 17752 B12R1.1 CSCOCC1CCC(CC1)C 34a_100000701341_100011218213 [0,1,0,1,0,0|2,0,0]=4 17753 B12R1.1 CSCOC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100011218213 [0,1,0,1,0,0|2,0,0]=4 17754 B12R1.1 C[C@H]1CC[C@@H](CC1)NCCCF 2230a_100020625639_100011934791 [0,1,0,1,0,0|2,0,0]=4 17755 B12R1.1 C[C@H]1CC[C@@H](CC1)NCCCF 34a_100020625639_100011934791 [0,1,0,1,0,0|2,0,0]=4 17756 B12R1.1 C[C@H]1CC[C@@H](CC1)NCCCO 2230a_100020625639_100000230001 [0,1,0,1,0,0|2,0,0]=4 17757 B12R1.1 C[C@H]1CC[C@@H](CC1)NCCCO 34a_100020625639_100000230001 [0,1,0,1,0,0|2,0,0]=4 17758 B12R1.1 FCCCCN1CCC(CC1)F 2230a_100015193889_100000729493 [0,1,0,1,0,0|2,0,0]=4 17759 B12R1.1 FCCCCN1CCC(CC1)F 269982a_100015193889_100000729493 [0,1,0,1,0,0|2,0,0]=4 17760 B12R1.1 FCCCCN1CCC(CC1)F 34a_100015193889_100000729493 [0,1,0,1,0,0|2,0,0]=4 17761 B12R1.1 N#CCCCN1CCC(CC1)O 2230a_100025773856_100000687738 [0,1,0,1,0,0|1,0,1]=4 17762 B12R1.1 N#CCCCN1CCC(CC1)O 269982a_100025773856_100000687738 [0,1,0,1,0,0|1,0,1]=4 17763 B12R1.1 N#CCCNC1CCC(CC1)O 270004a_100000720768_100000764474 [0,1,0,1,0,0|1,0,1]=4 17764 B12R1.1 NC1CCC(CC1)CCOCF 34a_100000070672_100015361967 [0,1,0,1,0,0|2,0,0]=4 17765 B12R1.1 N[C@H]1CC[C@@H](CC1)COCCF 34a_100009821084_100011217306 [0,1,0,1,0,0|2,0,0]=4 17766 B12R1.1 N[C@H]1CC[C@@H](CC1)COCCO 34a_100009821084_100000211926 [0,1,0,1,0,0|2,0,0]=4 17767 B12R1.1 N[C@H]1CC[C@H](CC1)OCCCF 34a_100020628982_100011934791 [0,1,0,1,0,0|2,0,0]=4 17768 B12R1.1 N[C@H]1CC[C@H](CC1)OCCCO 34a_100020628982_100000230001 [0,1,0,1,0,0|2,0,0]=4 17769 B12R1.1 O=CCCCN1CCC(CC1)O 2230a_100025773856_200011292268 [0,1,0,1,0,0|1,0,1]=4 17770 B12R1.1 O=CCCCN1CCC(CC1)O 269982a_100025773856_200011292268 [0,1,0,1,0,0|1,0,1]=4 17771 B12R1.1 OC1CCC(CC1)CCNCF 34a_200011935226_100015361967 [0,1,0,1,0,0|1,0,0]=3 17772 B12R1.1 OC1CCC(CC1)NCCCF 270004a_100015189416_100000764474 [0,1,0,1,0,0|1,0,0]=3 17773 B12R1.1 OC1CCN(CC1)CCCCF 2230a_100025773856_100000729493 [0,1,0,1,0,0|1,0,0]=3 17774 B12R1.1 OC1CCN(CC1)CCCCF 269982a_100025773856_100000729493 [0,1,0,1,0,0|1,0,0]=3 17775 B12R1.1 OCCCCN1CCC(CC1)F 2230a_100015193889_100000210776 [0,1,0,1,0,0|2,0,0]=4 17776 B12R1.1 OCCCCN1CCC(CC1)F 269982a_100015193889_100000210776 [0,1,0,1,0,0|2,0,0]=4 17777 B12R1.1 OCCCCN1CCC(CC1)F 34a_100015193889_100011216708 [0,1,0,1,0,0|2,0,0]=4 17778 B12R1.1 OCCCCN1CCC(CC1)O 2230a_100025773856_100000210776 [0,1,0,1,0,0|1,0,0]=3 17779 B12R1.1 OCCCCN1CCC(CC1)O 269982a_100025773856_100000210776 [0,1,0,1,0,0|1,0,0]=3 17780 B12R1.1 OCCCNC1CCC(CC1)O 270004a_100000182051_100000764474 [0,1,0,1,0,0|1,0,0]=3 17781 B12R1.1 [13CH3]N1CCC(CC1)CCCCO 2230a_100016989291_200025704644 [0,1,0,1,0,0|2,0,0]=4 17782 B12R1.1 [13CH3]N1CCC(CC1)CCCCO 269982a_100016989291_200025704644 [0,1,0,1,0,0|2,0,0]=4 17783 B12R1.1 [13CH3]N1CCC(CC1)CCCCO 34a_100016989291_200025704644 [0,1,0,1,0,0|2,0,0]=4 17784 B12R1.7 C#CCCCCN1CCC(C1)O 2230a_100011215560_100010269958 [0,1,0,1,0,0|0,0,2]=4 17785 B12R1.7 C#CCCCCN1CCC(C1)O 269982a_100011215560_100010269958 [0,1,0,1,0,0|0,0,2]=4 17786 B12R1.7 C#CCCCNC1CCC(C1)O 270004a_100000718082_100012614533 [0,1,0,1,0,0|0,0,2]=4 17787 B12R1.7 C#CCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000731252 [0,1,0,1,0,0|0,0,2]=4 17788 B12R1.7 C=CCCCCN1CCC(C1)O 2230a_100011215560_100011215482 [0,1,0,1,0,0|0,0,2]=4 17789 B12R1.7 C=CCCCCN1CCC(C1)O 269982a_100011215560_100011215482 [0,1,0,1,0,0|0,0,2]=4 17790 B12R1.7 C=CCCCNC1CCC(C1)O 270004a_100000700776_100012614533 [0,1,0,1,0,0|0,0,2]=4 17791 B12R1.7 C=CCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100011713584 [0,1,0,1,0,0|0,0,2]=4 17792 B12R1.7 CC/C=C\CCN1CCC(C1)O 2230a_100011215560_100015370543 [0,1,0,1,0,0|0,0,2]=4 17793 B12R1.7 CC/C=C\CCN1CCC(C1)O 269982a_100011215560_100015370543 [0,1,0,1,0,0|0,0,2]=4 17794 B12R1.7 CC/C=C\CN[C@H]1CC[C@H](C1)O 2230a_100015195300_100103147603 [0,1,0,1,0,0|0,0,2]=4 17795 B12R1.7 CC1CCC(C1)NCCCCO 270004a_100000750430_100011215218 [0,1,0,1,0,0|2,0,0]=4 17796 B12R1.7 CC1CCC(C1)OCCCCF 34a_100000698185_100000729493 [0,1,0,1,0,0|2,0,0]=4 17797 B12R1.7 CC1CCC(C1)OCCCCO 34a_100000698185_100011216708 [0,1,0,1,0,0|2,0,0]=4 17798 B12R1.7 CCC#CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100009813939 [0,1,0,1,0,0|0,0,2]=4 17799 B12R1.7 CCCCCCN1CCC(C1)O 2230a_100011215560_100000210314 [0,1,0,1,0,0|0,0,0]=2 17800 B12R1.7 CCCCCCN1CCC(C1)O 269982a_100011215560_100000210757 [0,1,0,1,0,0|0,0,0]=2 17801 B12R1.7 CCCCCCN1CC[C@@H](C1)F 2230a_100015203821_100000210314 [0,1,0,1,0,0|1,0,0]=3 17802 B12R1.7 CCCCCCN1CC[C@@H](C1)F 269982a_100015203821_100000210757 [0,1,0,1,0,0|1,0,0]=3 17803 B12R1.7 CCCCCCN1CC[C@@H](C1)F 34a_100015203821_100000210314 [0,1,0,1,0,0|1,0,0]=3 17804 B12R1.7 CCCCCCN1CC[C@H](C1)C 2230a_100016987628_100000210314 [0,1,0,1,0,0|1,0,0]=3 17805 B12R1.7 CCCCCCN1CC[C@H](C1)C 269982a_100016987628_100000210757 [0,1,0,1,0,0|1,0,0]=3 17806 B12R1.7 CCCCCCN1CC[C@H](C1)C 34a_100016987628_100000210314 [0,1,0,1,0,0|1,0,0]=3 17807 B12R1.7 CCCCCNC1CCC(C1)C 270004a_100000209983_100011215218 [0,1,0,1,0,0|1,0,0]=3 17808 B12R1.7 CCCCCNC1CCC(C1)O 270004a_100000209983_100012614533 [0,1,0,1,0,0|0,0,0]=2 17809 B12R1.7 CCCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210326 [0,1,0,1,0,0|0,0,0]=2 17810 B12R1.7 CCCCCOC1CCC(=O)C1 34a_100012614533_100000718602 [0,1,0,1,0,0|0,0,2]=4 17811 B12R1.7 CCCCCOC1CCC(C1)C 34a_100000698185_100000718602 [0,1,0,1,0,0|1,0,0]=3 17812 B12R1.7 CCCCCOC1CCN(C1)C 7a_100000210253_200012183744 [0,1,0,1,0,0|2,0,0]=4 17813 B12R1.7 CCCCCSC1CCN(C1)C 62a_100000210326_200012183744 [0,1,0,1,0,0|2,0,0]=4 17814 B12R1.7 CCCCNCC1CCN(C1)C 7a_106832991798_200000690779 [0,1,0,1,0,0|2,0,0]=4 17815 B12R1.7 CCCCNN=C1CCC(C1)O 4a_100025702795_100012614533 [0,1,0,1,0,0|1,0,1]=4 17816 B12R1.7 CCCCOCC1CCN(C1)C 34a_100000210227_200000690779 [0,1,0,1,0,0|2,0,0]=4 17817 B12R1.7 CCCCOCC1CCN(C1)C 7a_100000210227_200000690779 [0,1,0,1,0,0|2,0,0]=4 17818 B12R1.7 CCCCOCN1CCC(C1)O 2230a_100011215560_100011995733 [0,1,0,1,0,0|1,0,0]=3 17819 B12R1.7 CCCCOCN1CCC(C1)O 269982a_100011215560_100011995733 [0,1,0,1,0,0|1,0,0]=3 17820 B12R1.7 CCCCOCN1CC[C@@H](C1)F 2230a_100015203821_100011995733 [0,1,0,1,0,0|2,0,0]=4 17821 B12R1.7 CCCCOCN1CC[C@@H](C1)F 269982a_100015203821_100011995733 [0,1,0,1,0,0|2,0,0]=4 17822 B12R1.7 CCCCOCN1CC[C@@H](C1)F 34a_100015203821_100011995733 [0,1,0,1,0,0|2,0,0]=4 17823 B12R1.7 CCCCOCN1CC[C@H](C1)C 2230a_100016987628_100011995733 [0,1,0,1,0,0|2,0,0]=4 17824 B12R1.7 CCCCOCN1CC[C@H](C1)C 269982a_100016987628_100011995733 [0,1,0,1,0,0|2,0,0]=4 17825 B12R1.7 CCCCOCN1CC[C@H](C1)C 34a_100016987628_100011995733 [0,1,0,1,0,0|2,0,0]=4 17826 B12R1.7 CCCCOC[C@@H]1C[C@@H](CN1)F 34a_100015204000_100000210210 [0,1,0,1,0,0|2,0,0]=4 17827 B12R1.7 CCCCSCC1CCN(C1)C 62a_100000210211_200000690779 [0,1,0,1,0,0|2,0,0]=4 17828 B12R1.7 CCCCSCC1CCN(C1)C 62a_200000690779_100000210210 [0,1,0,1,0,0|2,0,0]=4 17829 B12R1.7 CCCOCCN1CCC(C1)O 2230a_100011215560_100011215938 [0,1,0,1,0,0|1,0,0]=3 17830 B12R1.7 CCCOCCN1CCC(C1)O 269982a_100011215560_100011215938 [0,1,0,1,0,0|1,0,0]=3 17831 B12R1.7 CCCOCCN1CC[C@@H](C1)F 2230a_100015203821_100011215938 [0,1,0,1,0,0|2,0,0]=4 17832 B12R1.7 CCCOCCN1CC[C@@H](C1)F 269982a_100015203821_100011215938 [0,1,0,1,0,0|2,0,0]=4 17833 B12R1.7 CCCOCCN1CC[C@@H](C1)F 34a_100015203821_100011215938 [0,1,0,1,0,0|2,0,0]=4 17834 B12R1.7 CCCOCCN1CC[C@H](C1)C 2230a_100016987628_100011215938 [0,1,0,1,0,0|2,0,0]=4 17835 B12R1.7 CCCOCCN1CC[C@H](C1)C 269982a_100016987628_100011215938 [0,1,0,1,0,0|2,0,0]=4 17836 B12R1.7 CCCOCCN1CC[C@H](C1)C 34a_100016987628_100011215938 [0,1,0,1,0,0|2,0,0]=4 17837 B12R1.7 CCOCCCN1CCC(C1)O 2230a_100011215560_100012232248 [0,1,0,1,0,0|1,0,0]=3 17838 B12R1.7 CCOCCCN1CCC(C1)O 269982a_100011215560_100012232248 [0,1,0,1,0,0|1,0,0]=3 17839 B12R1.7 CCOCCCN1CC[C@@H](C1)F 2230a_100015203821_100012232248 [0,1,0,1,0,0|2,0,0]=4 17840 B12R1.7 CCOCCCN1CC[C@@H](C1)F 269982a_100015203821_100012232248 [0,1,0,1,0,0|2,0,0]=4 17841 B12R1.7 CCOCCCN1CC[C@@H](C1)F 34a_100015203821_100012232248 [0,1,0,1,0,0|2,0,0]=4 17842 B12R1.7 CCOCCCN1CC[C@H](C1)C 2230a_100016987628_100012232248 [0,1,0,1,0,0|2,0,0]=4 17843 B12R1.7 CCOCCCN1CC[C@H](C1)C 269982a_100016987628_100012232248 [0,1,0,1,0,0|2,0,0]=4 17844 B12R1.7 CCOCCCN1CC[C@H](C1)C 34a_100016987628_100012232248 [0,1,0,1,0,0|2,0,0]=4 17845 B12R1.7 CCOCCNC1CCC(C1)C 270004a_102516460346_100011215218 [0,1,0,1,0,0|2,0,0]=4 17846 B12R1.7 CCOCCNC1CCC(C1)O 270004a_102516460346_100012614533 [0,1,0,1,0,0|1,0,0]=3 17847 B12R1.7 CCOCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100011215890 [0,1,0,1,0,0|1,0,0]=3 17848 B12R1.7 CCOCCOC1CCC(C1)C 34a_100000698185_100000210147 [0,1,0,1,0,0|2,0,0]=4 17849 B12R1.7 CCSCCNC1CCC(C1)C 270004a_100000106463_100011215218 [0,1,0,1,0,0|2,0,0]=4 17850 B12R1.7 CCSCCNC1CCC(C1)O 270004a_100000106463_100012614533 [0,1,0,1,0,0|1,0,0]=3 17851 B12R1.7 CCSCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000757381 [0,1,0,1,0,0|1,0,0]=3 17852 B12R1.7 CCSCCOC1CCC(C1)C 34a_100000698185_100000757381 [0,1,0,1,0,0|2,0,0]=4 17853 B12R1.7 COCCCCN1CCC(C1)O 2230a_100011215560_100000730899 [0,1,0,1,0,0|1,0,0]=3 17854 B12R1.7 COCCCCN1CCC(C1)O 269982a_100011215560_100000730899 [0,1,0,1,0,0|1,0,0]=3 17855 B12R1.7 COCCCCN1CC[C@@H](C1)F 2230a_100015203821_100000730899 [0,1,0,1,0,0|2,0,0]=4 17856 B12R1.7 COCCCCN1CC[C@@H](C1)F 269982a_100015203821_100000730899 [0,1,0,1,0,0|2,0,0]=4 17857 B12R1.7 COCCCCN1CC[C@@H](C1)F 34a_100015203821_100000755781 [0,1,0,1,0,0|2,0,0]=4 17858 B12R1.7 COCCCCN1CC[C@H](C1)C 2230a_100016987628_100000730899 [0,1,0,1,0,0|2,0,0]=4 17859 B12R1.7 COCCCCN1CC[C@H](C1)C 269982a_100016987628_100000730899 [0,1,0,1,0,0|2,0,0]=4 17860 B12R1.7 COCCCCN1CC[C@H](C1)C 34a_100016987628_100000755781 [0,1,0,1,0,0|2,0,0]=4 17861 B12R1.7 COCCCNC1CCC(C1)C 270004a_100150723488_100011215218 [0,1,0,1,0,0|2,0,0]=4 17862 B12R1.7 COCCCNC1CCC(C1)O 270004a_100150723488_100012614533 [0,1,0,1,0,0|1,0,0]=3 17863 B12R1.7 COCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000740836 [0,1,0,1,0,0|1,0,0]=3 17864 B12R1.7 COCCCOC1CCC(C1)C 34a_100000698185_100000740836 [0,1,0,1,0,0|2,0,0]=4 17865 B12R1.7 COCCOCN1CCC(C1)O 2230a_100011215560_100000231047 [0,1,0,1,0,0|2,0,0]=4 17866 B12R1.7 COCCOCN1CCC(C1)O 269982a_100011215560_100000231047 [0,1,0,1,0,0|2,0,0]=4 17867 B12R1.7 CSCCCNC1CCC(C1)C 270004a_100000749238_100011215218 [0,1,0,1,0,0|2,0,0]=4 17868 B12R1.7 CSCCCNC1CCC(C1)O 270004a_100000749238_100012614533 [0,1,0,1,0,0|1,0,0]=3 17869 B12R1.7 C[C@@H]1CCN(C1)CCCCCF 2230a_100016987628_100000729378 [0,1,0,1,0,0|2,0,0]=4 17870 B12R1.7 C[C@@H]1CCN(C1)CCCCCF 269982a_100016987628_100000729378 [0,1,0,1,0,0|2,0,0]=4 17871 B12R1.7 C[C@@H]1CCN(C1)CCCCCF 34a_100016987628_100000729378 [0,1,0,1,0,0|2,0,0]=4 17872 B12R1.7 C[C@@H]1CCN(C1)CCCCCO 2230a_100016987628_100000746330 [0,1,0,1,0,0|2,0,0]=4 17873 B12R1.7 C[C@@H]1CCN(C1)CCCCCO 269982a_100016987628_100000746330 [0,1,0,1,0,0|2,0,0]=4 17874 B12R1.7 C[C@@H]1CCN(C1)CCCCCO 34a_100016987628_100000746330 [0,1,0,1,0,0|2,0,0]=4 17875 B12R1.7 FCCCCCN1CC[C@@H](C1)F 2230a_100015203821_100000729378 [0,1,0,1,0,0|2,0,0]=4 17876 B12R1.7 FCCCCCN1CC[C@@H](C1)F 269982a_100015203821_100000729378 [0,1,0,1,0,0|2,0,0]=4 17877 B12R1.7 FCCCCCN1CC[C@@H](C1)F 34a_100015203821_100000729378 [0,1,0,1,0,0|2,0,0]=4 17878 B12R1.7 N#CCCCCN1CCC(C1)O 2230a_100011215560_100000211819 [0,1,0,1,0,0|1,0,1]=4 17879 B12R1.7 N#CCCCCN1CCC(C1)O 269982a_100011215560_100011219923 [0,1,0,1,0,0|1,0,1]=4 17880 B12R1.7 N#CCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000687738 [0,1,0,1,0,0|1,0,1]=4 17881 B12R1.7 O=CCCCCN1CCC(C1)O 2230a_100011215560_100000139335 [0,1,0,1,0,0|1,0,1]=4 17882 B12R1.7 O=CCCCCN1CCC(C1)O 269982a_100011215560_100000139335 [0,1,0,1,0,0|1,0,1]=4 17883 B12R1.7 O=CCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_200011292268 [0,1,0,1,0,0|1,0,1]=4 17884 B12R1.7 OC1CCN(C1)CCCCCF 2230a_100011215560_100000729378 [0,1,0,1,0,0|1,0,0]=3 17885 B12R1.7 OC1CCN(C1)CCCCCF 269982a_100011215560_100000729378 [0,1,0,1,0,0|1,0,0]=3 17886 B12R1.7 OCCCCCN1CCC(C1)O 2230a_100011215560_100000746330 [0,1,0,1,0,0|1,0,0]=3 17887 B12R1.7 OCCCCCN1CCC(C1)O 269982a_100011215560_100000746330 [0,1,0,1,0,0|1,0,0]=3 17888 B12R1.7 OCCCCCN1CC[C@@H](C1)F 2230a_100015203821_100000746330 [0,1,0,1,0,0|2,0,0]=4 17889 B12R1.7 OCCCCCN1CC[C@@H](C1)F 269982a_100015203821_100000746330 [0,1,0,1,0,0|2,0,0]=4 17890 B12R1.7 OCCCCCN1CC[C@@H](C1)F 34a_100015203821_100000746330 [0,1,0,1,0,0|2,0,0]=4 17891 B12R1.7 OCCCCNC1CCC(C1)O 270004a_100000750430_100012614533 [0,1,0,1,0,0|1,0,0]=3 17892 B12R1.7 OCCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210776 [0,1,0,1,0,0|1,0,0]=3 17893 B12R1.7 OCCOCCN1CCC(C1)O 2230a_100011215560_100011215305 [0,1,0,1,0,0|2,0,0]=4 17894 B12R1.7 OCCOCCN1CCC(C1)O 269982a_100011215560_100011215305 [0,1,0,1,0,0|2,0,0]=4 17895 B12R1.7 O[C@@H]1CC[C@@H](C1)NCCCCF 2230a_100015195300_100000729493 [0,1,0,1,0,0|1,0,0]=3 17896 B12R1.25 CC1CCCC(C1C)NCCF 2230a_100000211273_100011217306 [0,1,0,1,0,0|2,0,0]=4 17897 B12R1.25 CC1CCCC(C1C)NCCF 34a_100000211273_100011217306 [0,1,0,1,0,0|2,0,0]=4 17898 B12R1.25 CC1CCCC(C1C)NCCO 2230a_100000211273_100000211926 [0,1,0,1,0,0|2,0,0]=4 17899 B12R1.25 CC1CCCC(C1C)NCCO 34a_100000211273_100000211926 [0,1,0,1,0,0|2,0,0]=4 17900 B12R1.25 CC1CCCC(C1C)OCCF 34a_100011217532_100011217306 [0,1,0,1,0,0|2,0,0]=4 17901 B12R1.25 CC1CCCC(C1C)OCCF 7a_100011217532_100011217306 [0,1,0,1,0,0|2,0,0]=4 17902 B12R1.25 CC1CCCC(C1C)OCCO 34a_100011217532_100000211926 [0,1,0,1,0,0|2,0,0]=4 17903 B12R1.25 CC1CCCC(C1C)OCCO 7a_100011217532_100000211926 [0,1,0,1,0,0|2,0,0]=4 17904 B12R1.25 CCCNC1CCCC(C1C)C 2230a_100000211273_100000210303 [0,1,0,1,0,0|1,0,0]=3 17905 B12R1.25 CCCNC1CCCC(C1C)C 34a_100000211273_100000210303 [0,1,0,1,0,0|1,0,0]=3 17906 B12R1.25 CCCOC1CCCC(C1C)C 34a_100011217532_100000210303 [0,1,0,1,0,0|1,0,0]=3 17907 B12R1.25 CCCOC1CCCC(C1C)C 7a_100011217532_100000210303 [0,1,0,1,0,0|1,0,0]=3 17908 B12R1.25 COCNC1CCCC(C1C)C 2230a_100000211273_100000766300 [0,1,0,1,0,0|2,0,0]=4 17909 B12R1.25 CSCNC1CCCC(C1C)C 2230a_100000211273_100011218213 [0,1,0,1,0,0|2,0,0]=4 17910 B12R1.25 CSCNC1CCCC(C1C)C 34a_100000211273_100011218213 [0,1,0,1,0,0|2,0,0]=4 17911 B12R1.25 CSCOC1CCCC(C1C)C 34a_100011217532_100011218213 [0,1,0,1,0,0|2,0,0]=4 17912 B12R1.27 C=CC(O)CNC1CCCCC1 2230a_100000182618_100000730141 [0,1,0,1,0,0|0,0,2]=4 17913 B12R1.27 C=CC(O)CNC1CCCCC1 34a_100000182618_100000730141 [0,1,0,1,0,0|0,0,2]=4 17914 B12R1.27 C=CC(O)COC1CCCCC1 34a_100000210231_100000730141 [0,1,0,1,0,0|0,0,2]=4 17915 B12R1.27 C=CC(O)COC1CCCCC1 7a_100000210231_100000730141 [0,1,0,1,0,0|0,0,2]=4 17916 B12R1.27 C=CC(O)CSC1CCCCC1 62a_100000210327_100000730141 [0,1,0,1,0,0|0,0,2]=4 17917 B12R1.27 C=CC(O)CSC1CCCCC1 62a_100000730141_100000210327 [0,1,0,1,0,0|0,0,2]=4 17918 B12R1.27 CC(CF)OCC1CCCCC1 34a_100016041109_100000211423 [0,1,0,1,0,0|2,0,0]=4 17919 B12R1.27 CC(CF)OCC1CCCCC1 7a_100016041109_100000211423 [0,1,0,1,0,0|2,0,0]=4 17920 B12R1.27 CC(CN)COC1CCCCC1 34a_100000744482_100000210327 [0,1,0,1,0,0|2,0,0]=4 17921 B12R1.27 CC(CN)OCC1CCCCC1 34a_100000210904_100000211423 [0,1,0,1,0,0|2,0,0]=4 17922 B12R1.27 CC(CNC1CCCCC1)O[13CH3] 34a_100000202029_200025704644 [0,1,0,1,0,0|2,0,0]=4 17923 B12R1.27 CC(CO)CNC1CCCCC1 34a_100000744482_100000210327 [0,1,0,1,0,0|2,0,0]=4 17924 B12R1.27 CC(CO)NCC1CCCCC1 2230a_100000210473_100012180447 [0,1,0,1,0,0|2,0,0]=4 17925 B12R1.27 CC(CO)NCC1CCCCC1 34a_100000210473_100012180447 [0,1,0,1,0,0|2,0,0]=4 17926 B12R1.27 CC(CO)OCC1CCCCC1 34a_100000212181_100012180447 [0,1,0,1,0,0|2,0,0]=4 17927 B12R1.27 CC(CO)OCC1CCCCC1 7a_100000212181_100012180447 [0,1,0,1,0,0|2,0,0]=4 17928 B12R1.27 CC(CO)SCC1CCCCC1 62a_100012180447_100000211423 [0,1,0,1,0,0|2,0,0]=4 17929 B12R1.27 CCC(=O)CCC1CCCCC1 1458a_100000210414_100011273959 [0,1,0,1,0,0|0,0,2]=4 17930 B12R1.27 CCC(=O)CCC1CCCCC1 1458a_100000211375_100000210202 [0,1,0,1,0,0|0,0,2]=4 17931 B12R1.27 CCC(=O)CCC1CCOCC1 1458a_100000210414_100011934994 [0,1,0,1,0,0|0,0,2]=4 17932 B12R1.27 CCC(=O)CCN1CCCCC1 1458a_100000210414_100000739454 [0,1,0,1,0,0|0,0,2]=4 17933 B12R1.27 CCC(=O)CCN1CCCCC1 1458a_100000743487_100000210202 [0,1,0,1,0,0|0,0,2]=4 17934 B12R1.27 CCC(=O)COC1CCCCC1 1458a_100000210414_100011935260 [0,1,0,1,0,0|0,0,2]=4 17935 B12R1.27 CCC(=O)COC1CCCCC1 1458a_100011223303_100000210202 [0,1,0,1,0,0|0,0,2]=4 17936 B12R1.27 CCC(=O)COC1CCCCC1 34a_100000725409_100000210327 [0,1,0,1,0,0|0,0,2]=4 17937 B12R1.27 CCC(=O)COC1CCCCC1 7a_100000210231_100000747405 [0,1,0,1,0,0|0,0,2]=4 17938 B12R1.27 CCC(=O)CSC1CCCCC1 62a_100000210327_100000747405 [0,1,0,1,0,0|0,0,2]=4 17939 B12R1.27 CCC(=O)CSC1CCCCC1 62a_100000747405_100000210327 [0,1,0,1,0,0|0,0,2]=4 17940 B12R1.27 CCC(=O)NCC1CCCCC1 11a_100000210473_100000210414 [0,1,0,1,0,0|0,0,2]=4 17941 B12R1.27 CCC(=O)NCC1CCCCC1 1626a_100000210473_100000210414 [0,1,0,1,0,0|0,0,2]=4 17942 B12R1.27 CCC(=O)NCC1CCCCC1 240690a_100000210473_100000210414 [0,1,0,1,0,0|0,0,2]=4 17943 B12R1.27 CCC(=O)NCC1CCCCC1 527a_100000210473_100000210414 [0,1,0,1,0,0|0,0,2]=4 17944 B12R1.27 CCC(C)CNC1CCCCC1 2230a_100000182618_100000748023 [0,1,0,1,0,0|1,0,0]=3 17945 B12R1.27 CCC(C)CNC1CCCCC1 270004a_100000182618_100000243153 [0,1,0,1,0,0|1,0,0]=3 17946 B12R1.27 CCC(C)CNC1CCCCC1 270004a_100020588543_100000210434 [0,1,0,1,0,0|1,0,0]=3 17947 B12R1.27 CCC(C)CNC1CCCCC1 34a_100000182618_100000748023 [0,1,0,1,0,0|1,0,0]=3 17948 B12R1.27 CCC(C)CNC1CCCOC1 2230a_100000719290_100000748023 [0,1,0,1,0,0|2,0,0]=4 17949 B12R1.27 CCC(C)CNC1CCCOC1 270004a_100000719290_100000243153 [0,1,0,1,0,0|2,0,0]=4 17950 B12R1.27 CCC(C)CNC1CCCOC1 270004a_100020588543_100000753404 [0,1,0,1,0,0|2,0,0]=4 17951 B12R1.27 CCC(C)CNC1CCCOC1 34a_100000719290_100000748023 [0,1,0,1,0,0|2,0,0]=4 17952 B12R1.27 CCC(C)CNC1CCCSC1 270004a_100020588543_100000057913 [0,1,0,1,0,0|2,0,0]=4 17953 B12R1.27 CCC(C)CNC1CCNCC1 270004a_100020588543_100015192401 [0,1,0,1,0,0|2,0,0]=4 17954 B12R1.27 CCC(C)CNC1CCOCC1 2230a_100000741149_100000748023 [0,1,0,1,0,0|2,0,0]=4 17955 B12R1.27 CCC(C)CNC1CCOCC1 270004a_100000741149_100000243153 [0,1,0,1,0,0|2,0,0]=4 17956 B12R1.27 CCC(C)CNC1CCOCC1 270004a_100020588543_100011217826 [0,1,0,1,0,0|2,0,0]=4 17957 B12R1.27 CCC(C)CNC1CCOCC1 34a_100000741149_100000748023 [0,1,0,1,0,0|2,0,0]=4 17958 B12R1.27 CCC(C)CNC1CCSCC1 2230a_100000748639_100000748023 [0,1,0,1,0,0|2,0,0]=4 17959 B12R1.27 CCC(C)CNC1CCSCC1 270004a_100000748639_100000243153 [0,1,0,1,0,0|2,0,0]=4 17960 B12R1.27 CCC(C)CNC1CCSCC1 270004a_100020588543_100000203788 [0,1,0,1,0,0|2,0,0]=4 17961 B12R1.27 CCC(C)CNC1CCSCC1 34a_100000748639_100000748023 [0,1,0,1,0,0|2,0,0]=4 17962 B12R1.27 CCC(C)COC1CCCCC1 34a_100000210231_100000748023 [0,1,0,1,0,0|1,0,0]=3 17963 B12R1.27 CCC(C)COC1CCCCC1 7a_100000210231_100000748023 [0,1,0,1,0,0|1,0,0]=3 17964 B12R1.27 CCC(C)COC1CCCCO1 34a_100000033831_100000748023 [0,1,0,1,0,0|2,0,0]=4 17965 B12R1.27 CCC(C)COC1CCCOC1 34a_100000754041_100000748023 [0,1,0,1,0,0|2,0,0]=4 17966 B12R1.27 CCC(C)COC1CCCSC1 7a_100015962668_100000748023 [0,1,0,1,0,0|2,0,0]=4 17967 B12R1.27 CCC(C)COC1CCOCC1 34a_100000744328_100000748023 [0,1,0,1,0,0|2,0,0]=4 17968 B12R1.27 CCC(C)COC1CCSCC1 34a_100000731022_100000748023 [0,1,0,1,0,0|2,0,0]=4 17969 B12R1.27 CCC(C)COC1CCSCC1 7a_100000731022_100000748023 [0,1,0,1,0,0|2,0,0]=4 17970 B12R1.27 CCC(C)CSC1CCCCC1 62a_100000210327_100000748023 [0,1,0,1,0,0|1,0,0]=3 17971 B12R1.27 CCC(C)CSC1CCCCC1 62a_100000748023_100000210327 [0,1,0,1,0,0|1,0,0]=3 17972 B12R1.27 CCC(C)CSC1CCCOC1 62a_100000748023_100000693364 [0,1,0,1,0,0|2,0,0]=4 17973 B12R1.27 CCC(C)CSC1CCOCC1 62a_100000748023_100011324220 [0,1,0,1,0,0|2,0,0]=4 17974 B12R1.27 CCC(C)CSC1CCSCC1 62a_100000748023_100000069128 [0,1,0,1,0,0|2,0,0]=4 17975 B12R1.27 CCC(C)NCC1CCCCC1 2230a_100000209981_100000211423 [0,1,0,1,0,0|1,0,0]=3 17976 B12R1.27 CCC(C)NCC1CCCCC1 2230a_100000210473_100000758301 [0,1,0,1,0,0|1,0,0]=3 17977 B12R1.27 CCC(C)NCC1CCCCC1 269862a_100000209981_100000211278 [0,1,0,1,0,0|1,0,0]=3 17978 B12R1.27 CCC(C)NCC1CCCCC1 34a_100000210473_100011215416 [0,1,0,1,0,0|1,0,0]=3 17979 B12R1.27 CCC(C)NCC1CCCCO1 2230a_100000174945_100000758301 [0,1,0,1,0,0|2,0,0]=4 17980 B12R1.27 CCC(C)NCC1CCCCO1 2230a_100000209981_100000211543 [0,1,0,1,0,0|2,0,0]=4 17981 B12R1.27 CCC(C)NCC1CCCCO1 34a_100000174945_100011215416 [0,1,0,1,0,0|2,0,0]=4 17982 B12R1.27 CCC(C)NCC1CCCOC1 2230a_100000209981_100000741521 [0,1,0,1,0,0|2,0,0]=4 17983 B12R1.27 CCC(C)NCC1CCCOC1 2230a_100000720124_100000758301 [0,1,0,1,0,0|2,0,0]=4 17984 B12R1.27 CCC(C)NCC1CCCOC1 34a_100000720124_100011215416 [0,1,0,1,0,0|2,0,0]=4 17985 B12R1.27 CCC(C)NCC1CCOCC1 2230a_100000209981_100000754603 [0,1,0,1,0,0|2,0,0]=4 17986 B12R1.27 CCC(C)NCC1CCOCC1 2230a_100000746373_100000758301 [0,1,0,1,0,0|2,0,0]=4 17987 B12R1.27 CCC(C)NCC1CCOCC1 269862a_100000209981_100000749017 [0,1,0,1,0,0|2,0,0]=4 17988 B12R1.27 CCC(C)NCC1CCOCC1 34a_100000746373_100011215416 [0,1,0,1,0,0|2,0,0]=4 17989 B12R1.27 CCC(C)NCC1CCSCC1 2230a_100015188806_100000758301 [0,1,0,1,0,0|2,0,0]=4 17990 B12R1.27 CCC(C)NCC1CCSCC1 269862a_100000209981_100000067145 [0,1,0,1,0,0|2,0,0]=4 17991 B12R1.27 CCC(C)NCC1CCSCC1 270004a_100000209981_100000067145 [0,1,0,1,0,0|2,0,0]=4 17992 B12R1.27 CCC(C)NCC1CCSCC1 34a_100015188806_100011215416 [0,1,0,1,0,0|2,0,0]=4 17993 B12R1.27 CCC(C)OCC1CCCCC1 34a_100000212181_100011215416 [0,1,0,1,0,0|1,0,0]=3 17994 B12R1.27 CCC(C)OCC1CCCCC1 7a_100000210228_100000211423 [0,1,0,1,0,0|1,0,0]=3 17995 B12R1.27 CCC(C)OCC1CCCCC1 7a_100000212181_100000758301 [0,1,0,1,0,0|1,0,0]=3 17996 B12R1.27 CCC(C)OCC1CCCCN1 34a_100000210821_100011215416 [0,1,0,1,0,0|2,0,0]=4 17997 B12R1.27 CCC(C)OCC1CCCCO1 34a_100000211370_100011215416 [0,1,0,1,0,0|2,0,0]=4 17998 B12R1.27 CCC(C)OCC1CCCCO1 7a_100000210228_100000211543 [0,1,0,1,0,0|2,0,0]=4 17999 B12R1.27 CCC(C)OCC1CCCCO1 7a_100000211370_100000758301 [0,1,0,1,0,0|2,0,0]=4 18000 B12R1.27 CCC(C)OCC1CCCNC1 34a_100000211344_100011215416 [0,1,0,1,0,0|2,0,0]=4 18001 B12R1.27 CCC(C)OCC1CCCOC1 34a_100000741520_100011215416 [0,1,0,1,0,0|2,0,0]=4 18002 B12R1.27 CCC(C)OCC1CCCOC1 7a_100000210228_100000741521 [0,1,0,1,0,0|2,0,0]=4 18003 B12R1.27 CCC(C)OCC1CCNCC1 34a_100000738675_100011215416 [0,1,0,1,0,0|2,0,0]=4 18004 B12R1.27 CCC(C)OCC1CCOCC1 34a_100000749013_100011215416 [0,1,0,1,0,0|2,0,0]=4 18005 B12R1.27 CCC(C)OCC1CCOCC1 7a_100000210228_100000754603 [0,1,0,1,0,0|2,0,0]=4 18006 B12R1.27 CCC(C)OCC1CCSCC1 34a_100000070558_100011215416 [0,1,0,1,0,0|2,0,0]=4 18007 B12R1.27 CCC(C)OCC1CCSCC1 7a_100000070558_100000758301 [0,1,0,1,0,0|2,0,0]=4 18008 B12R1.27 CCC(C)SCC1CCCCC1 62a_100000211423_100000758301 [0,1,0,1,0,0|1,0,0]=3 18009 B12R1.27 CCC(C)SCC1CCCCC1 62a_100000758301_100000211423 [0,1,0,1,0,0|1,0,0]=3 18010 B12R1.27 CCC(C)SCC1CCCCO1 62a_100000211543_100000758301 [0,1,0,1,0,0|2,0,0]=4 18011 B12R1.27 CCC(C)SCC1CCCCO1 62a_100000758301_100000211543 [0,1,0,1,0,0|2,0,0]=4 18012 B12R1.27 CCC(C)SCC1CCCOC1 62a_100000741521_100000758301 [0,1,0,1,0,0|2,0,0]=4 18013 B12R1.27 CCC(C)SCC1CCCOC1 62a_100000758301_100000741521 [0,1,0,1,0,0|2,0,0]=4 18014 B12R1.27 CCC(C)SCC1CCOCC1 62a_100000754603_100000758301 [0,1,0,1,0,0|2,0,0]=4 18015 B12R1.27 CCC(C)SCC1CCOCC1 62a_100000758301_100000749018 [0,1,0,1,0,0|2,0,0]=4 18016 B12R1.27 CCC(O)CNC1C=CCCC1 2230a_100011218483_100000751183 [0,1,0,1,0,0|0,0,2]=4 18017 B12R1.27 CCC(O)CNC1CCCCC1 2230a_100000182618_100011218378 [0,1,0,1,0,0|0,0,0]=2 18018 B12R1.27 CCC(O)CNC1CCCCC1 270004a_100011218483_100000210434 [0,1,0,1,0,0|0,0,0]=2 18019 B12R1.27 CCC(O)CNC1CCCCC1 34a_100000182618_100011218378 [0,1,0,1,0,0|0,0,0]=2 18020 B12R1.27 CCC(O)CNC1CCCOC1 2230a_100000719290_100011218378 [0,1,0,1,0,0|1,0,0]=3 18021 B12R1.27 CCC(O)CNC1CCCOC1 270004a_100011218483_100000753404 [0,1,0,1,0,0|1,0,0]=3 18022 B12R1.27 CCC(O)CNC1CCCOC1 34a_100000719290_100011218378 [0,1,0,1,0,0|1,0,0]=3 18023 B12R1.27 CCC(O)CNC1CCCSC1 270004a_100011218483_100000057913 [0,1,0,1,0,0|1,0,0]=3 18024 B12R1.27 CCC(O)CNC1CCNCC1 270004a_100011218483_100015192401 [0,1,0,1,0,0|1,0,0]=3 18025 B12R1.27 CCC(O)CNC1CCOCC1 2230a_100000741149_100011218378 [0,1,0,1,0,0|1,0,0]=3 18026 B12R1.27 CCC(O)CNC1CCOCC1 270004a_100011218483_100011217826 [0,1,0,1,0,0|1,0,0]=3 18027 B12R1.27 CCC(O)CNC1CCOCC1 34a_100000741149_100011218378 [0,1,0,1,0,0|1,0,0]=3 18028 B12R1.27 CCC(O)CNC1CCSCC1 2230a_100000748639_100011218378 [0,1,0,1,0,0|1,0,0]=3 18029 B12R1.27 CCC(O)CNC1CCSCC1 270004a_100011218483_100000203788 [0,1,0,1,0,0|1,0,0]=3 18030 B12R1.27 CCC(O)CNC1CCSCC1 34a_100000748639_100011218378 [0,1,0,1,0,0|1,0,0]=3 18031 B12R1.27 CCC(O)COC1C=CCCC1 34a_100011215024_100011218378 [0,1,0,1,0,0|0,0,2]=4 18032 B12R1.27 CCC(O)COC1CC=CCC1 34a_100000073881_100011218378 [0,1,0,1,0,0|0,0,2]=4 18033 B12R1.27 CCC(O)COC1CCCCC1 34a_100000210231_100011218378 [0,1,0,1,0,0|0,0,0]=2 18034 B12R1.27 CCC(O)COC1CCCCC1 7a_100000210231_100011218378 [0,1,0,1,0,0|0,0,0]=2 18035 B12R1.27 CCC(O)COC1CCCCO1 34a_100000033831_100011218378 [0,1,0,1,0,0|1,0,0]=3 18036 B12R1.27 CCC(O)COC1CCCOC1 34a_100000754041_100011218378 [0,1,0,1,0,0|1,0,0]=3 18037 B12R1.27 CCC(O)COC1CCCSC1 7a_100015962668_100011218378 [0,1,0,1,0,0|1,0,0]=3 18038 B12R1.27 CCC(O)COC1CCOCC1 34a_100000744328_100011218378 [0,1,0,1,0,0|1,0,0]=3 18039 B12R1.27 CCC(O)COC1CCSCC1 34a_100000731022_100011218378 [0,1,0,1,0,0|1,0,0]=3 18040 B12R1.27 CCC(O)COC1CCSCC1 7a_100000731022_100011218378 [0,1,0,1,0,0|1,0,0]=3 18041 B12R1.27 CCC(O)CSC1C=CCCC1 62a_100000751183_100011218378 [0,1,0,1,0,0|0,0,2]=4 18042 B12R1.27 CCC(O)CSC1C=CCCC1 62a_100011218378_100000751183 [0,1,0,1,0,0|0,0,2]=4 18043 B12R1.27 CCC(O)CSC1CCCCC1 62a_100000210327_100011218378 [0,1,0,1,0,0|0,0,0]=2 18044 B12R1.27 CCC(O)CSC1CCCCC1 62a_100011218378_100000210327 [0,1,0,1,0,0|0,0,0]=2 18045 B12R1.27 CCC(O)CSC1CCCOC1 62a_100011218378_100000693364 [0,1,0,1,0,0|1,0,0]=3 18046 B12R1.27 CCC(O)CSC1CCOCC1 62a_100011218378_100011324220 [0,1,0,1,0,0|1,0,0]=3 18047 B12R1.27 CCC(O)CSC1CCSCC1 62a_100011218378_100000069128 [0,1,0,1,0,0|1,0,0]=3 18048 B12R1.27 CCN(C)CCC1CCCCC1 2230a_100000225621_100012355289 [0,1,0,1,0,0|2,0,0]=4 18049 B12R1.27 CCN(C)CCC1CCCCC1 269982a_100000225621_100011273959 [0,1,0,1,0,0|2,0,0]=4 18050 B12R1.27 CCN(C)CCC1CCCCO1 2230a_100015183322_100000210202 [0,1,0,1,0,0|2,0,0]=4 18051 B12R1.27 CCN(C)CCC1CCCCO1 269982a_100015183322_100000204670 [0,1,0,1,0,0|2,0,0]=4 18052 B12R1.27 CCN(C)CCC1CCCCO1 34a_100015183322_100000210202 [0,1,0,1,0,0|2,0,0]=4 18053 B12R1.27 CCN(C)CCC1CCOCC1 2230a_100000225621_100011934994 [0,1,0,1,0,0|2,0,0]=4 18054 B12R1.27 CCN(C)CCC1CCOCC1 269982a_100000225621_100011934994 [0,1,0,1,0,0|2,0,0]=4 18055 B12R1.27 CCN(C)CCN1CCCCC1 2230a_100000225621_100000739454 [0,1,0,1,0,0|2,0,0]=4 18056 B12R1.27 CCN(C)CCN1CCCCC1 2230a_100000226107_200000210301 [0,1,0,1,0,0|2,0,0]=4 18057 B12R1.27 CCN(C)CCN1CCCCC1 269982a_100000225621_100000739454 [0,1,0,1,0,0|2,0,0]=4 18058 B12R1.27 CCN(C)CCN1CCCCC1 269982a_100000226107_200000210301 [0,1,0,1,0,0|2,0,0]=4 18059 B12R1.27 CCN(C)COC1CCCCC1 2230a_100000225621_100011935260 [0,1,0,1,0,0|2,0,0]=4 18060 B12R1.27 CCN(C)COC1CCCCC1 269982a_100000225621_100011935260 [0,1,0,1,0,0|2,0,0]=4 18061 B12R1.27 CCN([13CH3])CCN1CCCCC1 2230a_100000226107_200025704644 [0,1,0,1,0,0|2,0,0]=4 18062 B12R1.27 CCN([13CH3])CCN1CCCCC1 269982a_100000226107_200025704644 [0,1,0,1,0,0|2,0,0]=4 18063 B12R1.27 CC[C@H](C)CNC1CCCCC1 2230a_100000182618_100009816398 [0,1,0,1,0,0|1,0,0]=3 18064 B12R1.27 CC[C@H](C)CNC1CCCCC1 34a_100000182618_100009816398 [0,1,0,1,0,0|1,0,0]=3 18065 B12R1.27 CC[C@H](C)CNC1CCCOC1 2230a_100000719290_100009816398 [0,1,0,1,0,0|2,0,0]=4 18066 B12R1.27 CC[C@H](C)CNC1CCCOC1 34a_100000719290_100009816398 [0,1,0,1,0,0|2,0,0]=4 18067 B12R1.27 CC[C@H](C)CNC1CCOCC1 2230a_100000741149_100009816398 [0,1,0,1,0,0|2,0,0]=4 18068 B12R1.27 CC[C@H](C)CNC1CCOCC1 34a_100000741149_100009816398 [0,1,0,1,0,0|2,0,0]=4 18069 B12R1.27 CC[C@H](C)CNC1CCSCC1 2230a_100000748639_100009816398 [0,1,0,1,0,0|2,0,0]=4 18070 B12R1.27 CC[C@H](C)CNC1CCSCC1 34a_100000748639_100009816398 [0,1,0,1,0,0|2,0,0]=4 18071 B12R1.27 CC[C@H](C)COC1CCCCC1 34a_100000210231_100009816398 [0,1,0,1,0,0|1,0,0]=3 18072 B12R1.27 CC[C@H](C)COC1CCCCC1 7a_100000210231_100009816398 [0,1,0,1,0,0|1,0,0]=3 18073 B12R1.27 CC[C@H](C)COC1CCCCC1 7a_100009816381_100000210327 [0,1,0,1,0,0|1,0,0]=3 18074 B12R1.27 CC[C@H](C)COC1CCCCO1 34a_100000033831_100009816398 [0,1,0,1,0,0|2,0,0]=4 18075 B12R1.27 CC[C@H](C)COC1CCCOC1 34a_100000754041_100009816398 [0,1,0,1,0,0|2,0,0]=4 18076 B12R1.27 CC[C@H](C)COC1CCCOC1 7a_100009816381_100000693364 [0,1,0,1,0,0|2,0,0]=4 18077 B12R1.27 CC[C@H](C)COC1CCCSC1 7a_100015962668_100009816398 [0,1,0,1,0,0|2,0,0]=4 18078 B12R1.27 CC[C@H](C)COC1CCOCC1 34a_100000744328_100009816398 [0,1,0,1,0,0|2,0,0]=4 18079 B12R1.27 CC[C@H](C)COC1CCOCC1 7a_100009816381_100000686592 [0,1,0,1,0,0|2,0,0]=4 18080 B12R1.27 CC[C@H](C)COC1CCSCC1 34a_100000731022_100009816398 [0,1,0,1,0,0|2,0,0]=4 18081 B12R1.27 CC[C@H](C)COC1CCSCC1 7a_100000731022_100009816398 [0,1,0,1,0,0|2,0,0]=4 18082 B12R1.27 CC[C@H](C)COC1CCSCC1 7a_100009816381_100011500858 [0,1,0,1,0,0|2,0,0]=4 18083 B12R1.27 CC[C@H](C)CSC1CCCCC1 62a_100000210327_100009816398 [0,1,0,1,0,0|1,0,0]=3 18084 B12R1.27 CC[C@H](C)CSC1CCCCC1 62a_100009816398_100000210327 [0,1,0,1,0,0|1,0,0]=3 18085 B12R1.27 CC[C@H](C)CSC1CCCOC1 62a_100009816398_100000693364 [0,1,0,1,0,0|2,0,0]=4 18086 B12R1.27 CC[C@H](C)CSC1CCOCC1 62a_100009816398_100011324220 [0,1,0,1,0,0|2,0,0]=4 18087 B12R1.27 CC[C@H](C)CSC1CCSCC1 62a_100009816398_100000069128 [0,1,0,1,0,0|2,0,0]=4 18088 B12R1.27 CNC(C)CCN1CCCCC1 270004a_106832991635_100000727156 [0,1,0,1,0,0|2,0,0]=4 18089 B12R1.27 COC(C)CNC1CCCCC1 34a_100000202029_200000210301 [0,1,0,1,0,0|2,0,0]=4 18090 B12R1.27 COC(C)COC1CCCCC1 34a_100000690652_100000210327 [0,1,0,1,0,0|2,0,0]=4 18091 B12R1.27 COC(C)SCC1CCCCC1 62a_100000211423_100009879195 [0,1,0,1,0,0|2,0,0]=4 18092 B12R1.27 COC(C)SCC1CCCCC1 62a_100009879195_100000211423 [0,1,0,1,0,0|2,0,0]=4 18093 B12R1.27 CO[C@H](C)CNC1CCCCC1 270004a_100020591295_100000210434 [0,1,0,1,0,0|2,0,0]=4 18094 B12R1.27 C[C@@H](CO)CNC1CCCCC1 2230a_100000182618_100000059175 [0,1,0,1,0,0|2,0,0]=4 18095 B12R1.27 C[C@@H](CO)CNC1CCCCC1 34a_100000182618_100000059175 [0,1,0,1,0,0|2,0,0]=4 18096 B12R1.27 C[C@@H](CO)COC1CCCCC1 34a_100000210231_100000059175 [0,1,0,1,0,0|2,0,0]=4 18097 B12R1.27 C[C@@H](CO)COC1CCCCC1 7a_100000210231_100000059175 [0,1,0,1,0,0|2,0,0]=4 18098 B12R1.27 C[C@@H](CO)CSC1CCCCC1 62a_100000059175_100000210327 [0,1,0,1,0,0|2,0,0]=4 18099 B12R1.27 C[C@@H](CO)CSC1CCCCC1 62a_100000210327_100000059175 [0,1,0,1,0,0|2,0,0]=4 18100 B12R1.27 C[C@H](CF)NCC1CCCCC1 269862a_100102880703_100000211278 [0,1,0,1,0,0|2,0,0]=4 18101 B12R1.27 C[C@H](CO)NCC1CCCCC1 2230a_100000737577_100000211423 [0,1,0,1,0,0|2,0,0]=4 18102 B12R1.27 C[C@H](CO)NCC1CCCCC1 269862a_100000737577_100000211278 [0,1,0,1,0,0|2,0,0]=4 18103 B12R1.27 C[C@H](CO)SCC1CCCCC1 62a_100000211423_100016084084 [0,1,0,1,0,0|2,0,0]=4 18104 B12R1.27 C[C@H](CO)SCC1CCCCC1 62a_100016084084_100000211423 [0,1,0,1,0,0|2,0,0]=4 18105 B12R1.27 ClCC(Cl)COC1CCCCC1 34a_100000033668_100000210327 [0,1,0,1,0,0|2,0,0]=4 18106 B12R1.27 NC[C@@H](F)COC1CCCCC1 34a_100015665980_100000210327 [0,1,0,1,0,0|2,0,0]=4 18107 B12R1.27 OCC(O)CNC1CCCCC1 2230a_100000182618_100011219619 [0,1,0,1,0,0|1,0,0]=3 18108 B12R1.27 OCC(O)CNC1CCCCC1 34a_100000182618_100011219619 [0,1,0,1,0,0|1,0,0]=3 18109 B12R1.27 OCC(O)CNC1CCCOC1 2230a_100000719290_100011219619 [0,1,0,1,0,0|2,0,0]=4 18110 B12R1.27 OCC(O)CNC1CCCOC1 34a_100000719290_100011219619 [0,1,0,1,0,0|2,0,0]=4 18111 B12R1.27 OCC(O)CNC1CCOCC1 2230a_100000741149_100011219619 [0,1,0,1,0,0|2,0,0]=4 18112 B12R1.27 OCC(O)CNC1CCOCC1 34a_100000741149_100011219619 [0,1,0,1,0,0|2,0,0]=4 18113 B12R1.27 OCC(O)CNC1CCSCC1 2230a_100000748639_100011219619 [0,1,0,1,0,0|2,0,0]=4 18114 B12R1.27 OCC(O)CNC1CCSCC1 34a_100000748639_100011219619 [0,1,0,1,0,0|2,0,0]=4 18115 B12R1.27 OCC(O)COC1CCCCC1 34a_100000210231_100011219619 [0,1,0,1,0,0|1,0,0]=3 18116 B12R1.27 OCC(O)COC1CCCCC1 7a_100000210231_100011219619 [0,1,0,1,0,0|1,0,0]=3 18117 B12R1.27 OCC(O)COC1CCCCO1 34a_100000033831_100011219619 [0,1,0,1,0,0|2,0,0]=4 18118 B12R1.27 OCC(O)COC1CCCOC1 34a_100000754041_100011219619 [0,1,0,1,0,0|2,0,0]=4 18119 B12R1.27 OCC(O)COC1CCCSC1 7a_100015962668_100011219619 [0,1,0,1,0,0|2,0,0]=4 18120 B12R1.27 OCC(O)COC1CCOCC1 34a_100000744328_100011219619 [0,1,0,1,0,0|2,0,0]=4 18121 B12R1.27 OCC(O)COC1CCSCC1 34a_100000731022_100011219619 [0,1,0,1,0,0|2,0,0]=4 18122 B12R1.27 OCC(O)COC1CCSCC1 7a_100000731022_100011219619 [0,1,0,1,0,0|2,0,0]=4 18123 B12R1.27 OCC(O)CSC1CCCCC1 62a_100000210327_100011219619 [0,1,0,1,0,0|1,0,0]=3 18124 B12R1.27 OCC(O)CSC1CCCCC1 62a_100011219619_100000210327 [0,1,0,1,0,0|1,0,0]=3 18125 B12R1.27 OCC(O)CSC1CCCOC1 62a_100011219619_100000693364 [0,1,0,1,0,0|2,0,0]=4 18126 B12R1.27 OCC(O)CSC1CCOCC1 62a_100011219619_100011324220 [0,1,0,1,0,0|2,0,0]=4 18127 B12R1.27 OCC(O)CSC1CCSCC1 62a_100011219619_100000069128 [0,1,0,1,0,0|2,0,0]=4 18128 B12R1.27 OC[C@H](F)CNC1CCCCC1 270004a_100015665980_100000210434 [0,1,0,1,0,0|2,0,0]=4 18129 B12R1.27 OC[C@H](F)CNC1CCCCC1 34a_100015665980_100000210327 [0,1,0,1,0,0|2,0,0]=4 18130 B12R1.27 OC[C@H](O)CNC1CCCCC1 2230a_100000182618_100009815848 [0,1,0,1,0,0|1,0,0]=3 18131 B12R1.27 OC[C@H](O)CNC1CCCCC1 34a_100000182618_100009815848 [0,1,0,1,0,0|1,0,0]=3 18132 B12R1.27 OC[C@H](O)CNC1CCCOC1 2230a_100000719290_100009815848 [0,1,0,1,0,0|2,0,0]=4 18133 B12R1.27 OC[C@H](O)CNC1CCCOC1 34a_100000719290_100009815848 [0,1,0,1,0,0|2,0,0]=4 18134 B12R1.27 OC[C@H](O)CNC1CCOCC1 2230a_100000741149_100009815848 [0,1,0,1,0,0|2,0,0]=4 18135 B12R1.27 OC[C@H](O)CNC1CCOCC1 34a_100000741149_100009815848 [0,1,0,1,0,0|2,0,0]=4 18136 B12R1.27 OC[C@H](O)CNC1CCSCC1 2230a_100000748639_100009815848 [0,1,0,1,0,0|2,0,0]=4 18137 B12R1.27 OC[C@H](O)CNC1CCSCC1 34a_100000748639_100009815848 [0,1,0,1,0,0|2,0,0]=4 18138 B12R1.27 OC[C@H](O)COC1CCCCC1 34a_100000210231_100009815848 [0,1,0,1,0,0|1,0,0]=3 18139 B12R1.27 OC[C@H](O)COC1CCCCC1 7a_100000210231_100009815848 [0,1,0,1,0,0|1,0,0]=3 18140 B12R1.27 OC[C@H](O)COC1CCCCO1 34a_100000033831_100009815848 [0,1,0,1,0,0|2,0,0]=4 18141 B12R1.27 OC[C@H](O)COC1CCCOC1 34a_100000754041_100009815848 [0,1,0,1,0,0|2,0,0]=4 18142 B12R1.27 OC[C@H](O)COC1CCCSC1 7a_100015962668_100009815848 [0,1,0,1,0,0|2,0,0]=4 18143 B12R1.27 OC[C@H](O)COC1CCOCC1 34a_100000744328_100009815848 [0,1,0,1,0,0|2,0,0]=4 18144 B12R1.27 OC[C@H](O)COC1CCSCC1 34a_100000731022_100009815848 [0,1,0,1,0,0|2,0,0]=4 18145 B12R1.27 OC[C@H](O)COC1CCSCC1 7a_100000731022_100009815848 [0,1,0,1,0,0|2,0,0]=4 18146 B12R1.27 OC[C@H](O)CSC1CCCCC1 62a_100000210327_100009815848 [0,1,0,1,0,0|1,0,0]=3 18147 B12R1.27 OC[C@H](O)CSC1CCCCC1 62a_100009815848_100000210327 [0,1,0,1,0,0|1,0,0]=3 18148 B12R1.27 OC[C@H](O)CSC1CCCOC1 62a_100009815848_100000693364 [0,1,0,1,0,0|2,0,0]=4 18149 B12R1.27 OC[C@H](O)CSC1CCOCC1 62a_100009815848_100011324220 [0,1,0,1,0,0|2,0,0]=4 18150 B12R1.27 OC[C@H](O)CSC1CCSCC1 62a_100009815848_100000069128 [0,1,0,1,0,0|2,0,0]=4 18151 B12R1.27 O[C@@H](CF)CNC1CCCCC1 2230a_100000182618_100015614560 [0,1,0,1,0,0|1,0,0]=3 18152 B12R1.27 O[C@@H](CF)CNC1CCCCC1 34a_100000182618_100015614560 [0,1,0,1,0,0|1,0,0]=3 18153 B12R1.27 O[C@@H](CF)CNC1CCCOC1 2230a_100000719290_100015614560 [0,1,0,1,0,0|2,0,0]=4 18154 B12R1.27 O[C@@H](CF)CNC1CCCOC1 34a_100000719290_100015614560 [0,1,0,1,0,0|2,0,0]=4 18155 B12R1.27 O[C@@H](CF)CNC1CCOCC1 2230a_100000741149_100015614560 [0,1,0,1,0,0|2,0,0]=4 18156 B12R1.27 O[C@@H](CF)CNC1CCOCC1 34a_100000741149_100015614560 [0,1,0,1,0,0|2,0,0]=4 18157 B12R1.27 O[C@@H](CF)CNC1CCSCC1 2230a_100000748639_100015614560 [0,1,0,1,0,0|2,0,0]=4 18158 B12R1.27 O[C@@H](CF)CNC1CCSCC1 34a_100000748639_100015614560 [0,1,0,1,0,0|2,0,0]=4 18159 B12R1.27 O[C@@H](CF)COC1CCCCC1 34a_100000210231_100015614560 [0,1,0,1,0,0|1,0,0]=3 18160 B12R1.27 O[C@@H](CF)COC1CCCCC1 7a_100000210231_100015614560 [0,1,0,1,0,0|1,0,0]=3 18161 B12R1.27 O[C@@H](CF)COC1CCCCO1 34a_100000033831_100015614560 [0,1,0,1,0,0|2,0,0]=4 18162 B12R1.27 O[C@@H](CF)COC1CCCOC1 34a_100000754041_100015614560 [0,1,0,1,0,0|2,0,0]=4 18163 B12R1.27 O[C@@H](CF)COC1CCCSC1 7a_100015962668_100015614560 [0,1,0,1,0,0|2,0,0]=4 18164 B12R1.27 O[C@@H](CF)COC1CCOCC1 34a_100000744328_100015614560 [0,1,0,1,0,0|2,0,0]=4 18165 B12R1.27 O[C@@H](CF)COC1CCSCC1 34a_100000731022_100015614560 [0,1,0,1,0,0|2,0,0]=4 18166 B12R1.27 O[C@@H](CF)COC1CCSCC1 7a_100000731022_100015614560 [0,1,0,1,0,0|2,0,0]=4 18167 B12R1.27 O[C@@H](CF)CSC1CCCCC1 62a_100000210327_100015614560 [0,1,0,1,0,0|1,0,0]=3 18168 B12R1.27 O[C@@H](CF)CSC1CCCCC1 62a_100015614560_100000210327 [0,1,0,1,0,0|1,0,0]=3 18169 B12R1.27 O[C@@H](CF)CSC1CCCOC1 62a_100015614560_100000693364 [0,1,0,1,0,0|2,0,0]=4 18170 B12R1.27 O[C@@H](CF)CSC1CCOCC1 62a_100015614560_100011324220 [0,1,0,1,0,0|2,0,0]=4 18171 B12R1.27 O[C@@H](CF)CSC1CCSCC1 62a_100015614560_100000069128 [0,1,0,1,0,0|2,0,0]=4 18172 B12R1.77 CCC(=O)C1CCCCN1CC 1458a_100000743832_100000210202 [0,1,0,1,0,0|0,0,2]=4 18173 B12R1.77 CCC(=O)N1CCCCC1CC 11a_100000210034_100000210414 [0,1,0,1,0,0|0,0,2]=4 18174 B12R1.77 CCC(=O)N1CCCCC1CC 1626a_100000210034_100000210414 [0,1,0,1,0,0|0,0,2]=4 18175 B12R1.77 CCC(=O)N1CCCCC1CC 240690a_100000210034_100000210414 [0,1,0,1,0,0|0,0,2]=4 18176 B12R1.77 CCC(=O)N1CCCCC1CC 527a_100000210034_100000210414 [0,1,0,1,0,0|0,0,2]=4 18177 B12R1.77 CCC(C)C1CCCCC1NC 269862a_106832991636_100011216798 [0,1,0,1,0,0|1,0,0]=3 18178 B12R1.77 CCC(C)N1CCCCC1CC 2230a_100000210034_100000758301 [0,1,0,1,0,0|1,0,0]=3 18179 B12R1.77 CCC(C)N1CCCCC1CC 269982a_100000210034_100000758301 [0,1,0,1,0,0|1,0,0]=3 18180 B12R1.77 CCC(C)N1CCCCC1CC 34a_100000210034_100011215416 [0,1,0,1,0,0|1,0,0]=3 18181 B12R1.77 CCC(C)N1CCCCC1CO 2230a_100000210821_100000758301 [0,1,0,1,0,0|2,0,0]=4 18182 B12R1.77 CCC(C)N1CCCCC1CO 269982a_100000210821_100000758301 [0,1,0,1,0,0|2,0,0]=4 18183 B12R1.77 CCC(C)N1CCCCC1CO 34a_100000210821_100011215416 [0,1,0,1,0,0|2,0,0]=4 18184 B12R1.77 CCC(C)N1CCOC[C@@H]1CC 2230a_100016988097_100000758301 [0,1,0,1,0,0|2,0,0]=4 18185 B12R1.77 CCC(C)N1CCOC[C@@H]1CC 269982a_100016988097_100000758301 [0,1,0,1,0,0|2,0,0]=4 18186 B12R1.77 CCC(C)N1CCOC[C@@H]1CC 34a_100016988097_100011215416 [0,1,0,1,0,0|2,0,0]=4 18187 B12R1.77 CCC1CCCCN1C(C)CO 2230a_100000210034_100012180447 [0,1,0,1,0,0|2,0,0]=4 18188 B12R1.77 CCC1CCCCN1C(C)CO 34a_100000210034_100012180447 [0,1,0,1,0,0|2,0,0]=4 18189 B12R1.77 CCC1CCCCN1C(C)OC 269982a_100000210034_100009879195 [0,1,0,1,0,0|2,0,0]=4 18190 B12R1.77 CCC1CCCCN1[C@H](C)CO 269982a_100000210034_100016084084 [0,1,0,1,0,0|2,0,0]=4 18191 B12R1.82 C=CC(O)CN1CCCC1CC 2230a_100000754278_100000730141 [0,1,0,1,0,0|0,0,2]=4 18192 B12R1.82 C=CC(O)CN1CCCC1CC 34a_100000754278_100000730141 [0,1,0,1,0,0|0,0,2]=4 18193 B12R1.82 CCC(=O)CN1CCCC1CC 269982a_100000754278_100000747405 [0,1,0,1,0,0|0,0,2]=4 18194 B12R1.82 CCC(C)CN1CCCC1CC 2230a_100000754278_100000748023 [0,1,0,1,0,0|1,0,0]=3 18195 B12R1.82 CCC(C)CN1CCCC1CC 269982a_100000754278_100000748023 [0,1,0,1,0,0|1,0,0]=3 18196 B12R1.82 CCC(C)CN1CCCC1CC 270004a_100000754278_100000243153 [0,1,0,1,0,0|1,0,0]=3 18197 B12R1.82 CCC(C)CN1CCCC1CC 34a_100000754278_100000748023 [0,1,0,1,0,0|1,0,0]=3 18198 B12R1.82 CCC(C)CN1CCC[C@@H]1CO 2230a_100000745186_100000748023 [0,1,0,1,0,0|2,0,0]=4 18199 B12R1.82 CCC(C)CN1CCC[C@@H]1CO 269982a_100000745186_100000748023 [0,1,0,1,0,0|2,0,0]=4 18200 B12R1.82 CCC(C)CN1CCC[C@@H]1CO 270004a_100000745186_100000243153 [0,1,0,1,0,0|2,0,0]=4 18201 B12R1.82 CCC(C)CN1CCC[C@@H]1CO 34a_100000745186_100000748023 [0,1,0,1,0,0|2,0,0]=4 18202 B12R1.82 CCC(C)NC1CCCC1CC 269862a_100000209981_100000749056 [0,1,0,1,0,0|1,0,0]=3 18203 B12R1.82 CCC(C)NC1CCCC1CC 270004a_100000209981_100000749056 [0,1,0,1,0,0|1,0,0]=3 18204 B12R1.82 CCC(O)CN1CC=CC1CC 2230a_100000730860_100011218378 [0,1,0,1,0,0|0,0,2]=4 18205 B12R1.82 CCC(O)CN1CC=CC1CC 269982a_100000730860_100011218378 [0,1,0,1,0,0|0,0,2]=4 18206 B12R1.82 CCC(O)CN1CC=CC1CC 34a_100000730860_100011218378 [0,1,0,1,0,0|0,0,2]=4 18207 B12R1.82 CCC(O)CN1CCCC1C#N 2230a_100000701862_100011218378 [0,1,0,1,0,0|1,0,1]=4 18208 B12R1.82 CCC(O)CN1CCCC1CC 2230a_100000754278_100011218378 [0,1,0,1,0,0|0,0,0]=2 18209 B12R1.82 CCC(O)CN1CCCC1CC 269982a_100000754278_100011218378 [0,1,0,1,0,0|0,0,0]=2 18210 B12R1.82 CCC(O)CN1CCCC1CC 34a_100000754278_100011218378 [0,1,0,1,0,0|0,0,0]=2 18211 B12R1.82 CCC(O)CN1CCC[C@@H]1C#N 2230a_106645074975_100011218378 [0,1,0,1,0,0|1,0,1]=4 18212 B12R1.82 CCC(O)CN1CCC[C@@H]1C#N 269982a_106645074975_100011218378 [0,1,0,1,0,0|1,0,1]=4 18213 B12R1.82 CCC(O)CN1CCC[C@@H]1CO 2230a_100000745186_100011218378 [0,1,0,1,0,0|1,0,0]=3 18214 B12R1.82 CCC(O)CN1CCC[C@@H]1CO 269982a_100000745186_100011218378 [0,1,0,1,0,0|1,0,0]=3 18215 B12R1.82 CCC(O)CN1CCC[C@@H]1CO 34a_100000745186_100011218378 [0,1,0,1,0,0|1,0,0]=3 18216 B12R1.82 CCC1CCCC1N[C@H](C)CF 269862a_100102880703_100000749056 [0,1,0,1,0,0|2,0,0]=4 18217 B12R1.82 CCC1CCCC1N[C@H](C)CF 270004a_100102880703_100000749056 [0,1,0,1,0,0|2,0,0]=4 18218 B12R1.82 CCC1CCCC1N[C@H](C)CO 269862a_100000737577_100000749056 [0,1,0,1,0,0|2,0,0]=4 18219 B12R1.82 CCC1CCCC1N[C@H](C)CO 270004a_100000737577_100000749056 [0,1,0,1,0,0|2,0,0]=4 18220 B12R1.82 CCC1CCCN1CC(O)CO 2230a_100000754278_100011219619 [0,1,0,1,0,0|1,0,0]=3 18221 B12R1.82 CCC1CCCN1CC(O)CO 34a_100000754278_100011219619 [0,1,0,1,0,0|1,0,0]=3 18222 B12R1.82 CCC1CCCN1C[C@@H](C)CC 2230a_100000754278_100009816398 [0,1,0,1,0,0|1,0,0]=3 18223 B12R1.82 CCC1CCCN1C[C@@H](C)CC 269982a_100000754278_100009816398 [0,1,0,1,0,0|1,0,0]=3 18224 B12R1.82 CCC1CCCN1C[C@@H](C)CC 34a_100000754278_100009816398 [0,1,0,1,0,0|1,0,0]=3 18225 B12R1.82 CCC1CCCN1C[C@@H](C)CO 2230a_100000754278_100000059175 [0,1,0,1,0,0|2,0,0]=4 18226 B12R1.82 CCC1CCCN1C[C@@H](C)CO 269982a_100000754278_100000059175 [0,1,0,1,0,0|2,0,0]=4 18227 B12R1.82 CCC1CCCN1C[C@@H](C)CO 34a_100000754278_100000059175 [0,1,0,1,0,0|2,0,0]=4 18228 B12R1.82 CCC1CCCN1C[C@@H](O)CF 2230a_100000754278_100015614560 [0,1,0,1,0,0|1,0,0]=3 18229 B12R1.82 CCC1CCCN1C[C@@H](O)CF 34a_100000754278_100015614560 [0,1,0,1,0,0|1,0,0]=3 18230 B12R1.82 CCC1CCCN1C[C@@H](O)CO 2230a_100000754278_100009815848 [0,1,0,1,0,0|1,0,0]=3 18231 B12R1.82 CCC1CCCN1C[C@@H](O)CO 34a_100000754278_100009815848 [0,1,0,1,0,0|1,0,0]=3 18232 B12R1.82 CC[C@H](C)CN1CCC[C@@H]1CO 2230a_100000745186_100009816398 [0,1,0,1,0,0|2,0,0]=4 18233 B12R1.82 CC[C@H](C)CN1CCC[C@@H]1CO 269982a_100000745186_100009816398 [0,1,0,1,0,0|2,0,0]=4 18234 B12R1.82 CC[C@H](C)CN1CCC[C@@H]1CO 34a_100000745186_100009816398 [0,1,0,1,0,0|2,0,0]=4 18235 B12R1.82 OCC(O)CN1CCC[C@@H]1CO 2230a_100000745186_100011219619 [0,1,0,1,0,0|2,0,0]=4 18236 B12R1.82 OCC(O)CN1CCC[C@@H]1CO 34a_100000745186_100011219619 [0,1,0,1,0,0|2,0,0]=4 18237 B12R1.82 OC[C@H](O)CN1CCC[C@@H]1CO 2230a_100000745186_100009815848 [0,1,0,1,0,0|2,0,0]=4 18238 B12R1.82 OC[C@H](O)CN1CCC[C@@H]1CO 34a_100000745186_100009815848 [0,1,0,1,0,0|2,0,0]=4 18239 B12R1.82 OC[C@H]1CCCN1C[C@@H](O)CF 2230a_100000745186_100015614560 [0,1,0,1,0,0|2,0,0]=4 18240 B12R1.82 OC[C@H]1CCCN1C[C@@H](O)CF 34a_100000745186_100015614560 [0,1,0,1,0,0|2,0,0]=4 18241 B12R1.163 CCC(C)CN1CCC1COC 2230a_100015195929_100000748023 [0,1,0,1,0,0|2,0,0]=4 18242 B12R1.163 CCC(C)CN1CCC1COC 269982a_100015195929_100000748023 [0,1,0,1,0,0|2,0,0]=4 18243 B12R1.163 CCC(C)CN1CCC1COC 270004a_100015195929_100000243153 [0,1,0,1,0,0|2,0,0]=4 18244 B12R1.163 CCC(C)CN1CCC1COC 34a_100015195929_100000748023 [0,1,0,1,0,0|2,0,0]=4 18245 B12R1.163 CCC(O)CN1CCC1COC 2230a_100015195929_100011218378 [0,1,0,1,0,0|1,0,0]=3 18246 B12R1.163 CCC(O)CN1CCC1COC 269982a_100015195929_100011218378 [0,1,0,1,0,0|1,0,0]=3 18247 B12R1.163 CCC(O)CN1CCC1COC 34a_100015195929_100011218378 [0,1,0,1,0,0|1,0,0]=3 18248 B12R1.163 CC[C@H](C)CN1CCC1COC 2230a_100015195929_100009816398 [0,1,0,1,0,0|2,0,0]=4 18249 B12R1.163 CC[C@H](C)CN1CCC1COC 269982a_100015195929_100009816398 [0,1,0,1,0,0|2,0,0]=4 18250 B12R1.163 CC[C@H](C)CN1CCC1COC 34a_100015195929_100009816398 [0,1,0,1,0,0|2,0,0]=4 18251 B12R1.163 COCC1CCN1CC(O)CO 2230a_100015195929_100011219619 [0,1,0,1,0,0|2,0,0]=4 18252 B12R1.163 COCC1CCN1CC(O)CO 34a_100015195929_100011219619 [0,1,0,1,0,0|2,0,0]=4 18253 B12R1.163 COCC1CCN1C[C@@H](O)CF 2230a_100015195929_100015614560 [0,1,0,1,0,0|2,0,0]=4 18254 B12R1.163 COCC1CCN1C[C@@H](O)CF 34a_100015195929_100015614560 [0,1,0,1,0,0|2,0,0]=4 18255 B12R1.163 COCC1CCN1C[C@@H](O)CO 2230a_100015195929_100009815848 [0,1,0,1,0,0|2,0,0]=4 18256 B12R1.163 COCC1CCN1C[C@@H](O)CO 34a_100015195929_100009815848 [0,1,0,1,0,0|2,0,0]=4 18257 B12R1.271 CC1CC1COCCCCCF 34a_100000744939_100000729378 [0,1,0,1,0,0|2,0,0]=4 18258 B12R1.271 CC1CC1COCCCCCF 7a_100000744939_100000729378 [0,1,0,1,0,0|2,0,0]=4 18259 B12R1.271 CC1CC1COCCCCCO 34a_100000744939_100000746330 [0,1,0,1,0,0|2,0,0]=4 18260 B12R1.271 CC1CC1COCCCCCO 7a_100000744939_100000746330 [0,1,0,1,0,0|2,0,0]=4 18261 B12R1.271 CCCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210681 [0,1,0,1,0,0|2,0,0]=4 18262 B12R1.271 CCCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210681 [0,1,0,1,0,0|2,0,0]=4 18263 B12R1.271 CCCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210614 [0,1,0,1,0,0|2,0,0]=4 18264 B12R1.271 CCCCCCOCC1CC1C 34a_100000744939_100000210314 [0,1,0,1,0,0|1,0,0]=3 18265 B12R1.271 CCCCCCOCC1CC1C 7a_100000744939_100000210314 [0,1,0,1,0,0|1,0,0]=3 18266 B12R1.271 CCCCOCOCC1CC1C 34a_100000744939_100011995733 [0,1,0,1,0,0|2,0,0]=4 18267 B12R1.271 CCCOCCOCC1CC1C 34a_100000744939_100011215938 [0,1,0,1,0,0|2,0,0]=4 18268 B12R1.271 CCCOCCOCC1CC1C 7a_100000744939_100011215938 [0,1,0,1,0,0|2,0,0]=4 18269 B12R1.271 CCOCCCOCC1CC1C 34a_100000744939_100012232248 [0,1,0,1,0,0|2,0,0]=4 18270 B12R1.271 CCOCCCOCC1CC1C 7a_100000744939_100012232248 [0,1,0,1,0,0|2,0,0]=4 18271 B12R1.271 COCCCCOCC1CC1C 34a_100000744939_100000755781 [0,1,0,1,0,0|2,0,0]=4 18272 B12R1.271 COCCCCOCC1CC1C 7a_100000744939_100000730899 [0,1,0,1,0,0|2,0,0]=4 18273 B12R1.272 BrCCCCCCOC1CCC1 34a_100011215345_100000749161 [0,1,0,1,0,0|2,0,0]=4 18274 B12R1.272 BrCCCCCOCC1CCC1 34a_100000746331_100000763275 [0,1,0,1,0,0|2,0,0]=4 18275 B12R1.272 BrCCCCCOCC1CCC1 7a_100000746331_100000763275 [0,1,0,1,0,0|2,0,0]=4 18276 B12R1.272 BrCCCCCOCC1CCO1 34a_100000746331_100000103362 [0,1,0,1,0,0|1,0,0]=3 18277 B12R1.272 BrCCCCCOCC1CCO1 7a_100000746331_100000103362 [0,1,0,1,0,0|1,0,0]=3 18278 B12R1.272 BrCCOCCOCC1CCO1 34a_100000692535_100000103362 [0,1,0,1,0,0|2,0,0]=4 18279 B12R1.272 BrCCOCCOCC1CCO1 7a_100000692535_100000103362 [0,1,0,1,0,0|2,0,0]=4 18280 B12R1.272 C#CCCCCNCC1CCO1 2230a_100000706060_100000103362 [0,1,0,1,0,0|0,0,2]=4 18281 B12R1.272 C#CCCCCNCC1CCO1 34a_100000706060_100000103362 [0,1,0,1,0,0|0,0,2]=4 18282 B12R1.272 C#CCCCCNC[C@@H]1CCO1 2230a_100020831831_100010269958 [0,1,0,1,0,0|0,0,2]=4 18283 B12R1.272 C#CCCCCNC[C@@H]1CCO1 34a_100020831831_100010269958 [0,1,0,1,0,0|0,0,2]=4 18284 B12R1.272 C#CCCCCOCC1CCO1 34a_100000039022_100010269958 [0,1,0,1,0,0|0,0,2]=4 18285 B12R1.272 C#CCCCCOCC1CCO1 34a_100000766709_100000103362 [0,1,0,1,0,0|0,0,2]=4 18286 B12R1.272 C#CCCCCOCC1CCO1 7a_100000766709_100000103362 [0,1,0,1,0,0|0,0,2]=4 18287 B12R1.272 C#CCCCCSCC1CCO1 62a_100000103362_100010269958 [0,1,0,1,0,0|0,0,2]=4 18288 B12R1.272 C#CCCCCSCC1CCO1 62a_100010269958_100000103362 [0,1,0,1,0,0|0,0,2]=4 18289 B12R1.272 C=CCCCCNCC1CCO1 2230a_100000703577_100000103362 [0,1,0,1,0,0|0,0,2]=4 18290 B12R1.272 C=CCCCCNCC1CCO1 34a_100000703577_100000103362 [0,1,0,1,0,0|0,0,2]=4 18291 B12R1.272 C=CCCCCNC[C@@H]1CCO1 2230a_100020831831_100011215482 [0,1,0,1,0,0|0,0,2]=4 18292 B12R1.272 C=CCCCCNC[C@@H]1CCO1 34a_100020831831_100011215482 [0,1,0,1,0,0|0,0,2]=4 18293 B12R1.272 C=CCCCCOCC1CCO1 34a_100000039022_100011215482 [0,1,0,1,0,0|0,0,2]=4 18294 B12R1.272 C=CCCCCOCC1CCO1 34a_100000766645_100000103362 [0,1,0,1,0,0|0,0,2]=4 18295 B12R1.272 C=CCCCCOCC1CCO1 7a_100000766645_100000103362 [0,1,0,1,0,0|0,0,2]=4 18296 B12R1.272 C=CCCCCSCC1CCO1 62a_100000103362_100011215482 [0,1,0,1,0,0|0,0,2]=4 18297 B12R1.272 C=CCCCCSCC1CCO1 62a_100011215482_100000103362 [0,1,0,1,0,0|0,0,2]=4 18298 B12R1.272 CC/C=C\CCNC[C@@H]1CCO1 2230a_100020831831_100015370543 [0,1,0,1,0,0|0,0,2]=4 18299 B12R1.272 CC/C=C\CCNC[C@@H]1CCO1 34a_100020831831_100015370543 [0,1,0,1,0,0|0,0,2]=4 18300 B12R1.272 CC/C=C\CCOCC1CCO1 34a_100000039022_100015370543 [0,1,0,1,0,0|0,0,2]=4 18301 B12R1.272 CC/C=C\CCOCC1CCO1 34a_100016288707_100000103362 [0,1,0,1,0,0|0,0,2]=4 18302 B12R1.272 CC/C=C\CCOCC1CCO1 7a_100016288707_100000103362 [0,1,0,1,0,0|0,0,2]=4 18303 B12R1.272 CC/C=C\CCSCC1CCO1 62a_100000103362_100015370543 [0,1,0,1,0,0|0,0,2]=4 18304 B12R1.272 CC/C=C\CCSCC1CCO1 62a_100015370543_100000103362 [0,1,0,1,0,0|0,0,2]=4 18305 B12R1.272 CC=CCCCOCC1CCO1 34a_100020645299_100000103362 [0,1,0,1,0,0|0,0,2]=4 18306 B12R1.272 CCC#CCCOCC1CCO1 34a_100000036655_100000103362 [0,1,0,1,0,0|0,0,2]=4 18307 B12R1.272 CCC#CCCOCC1CCO1 7a_100000036655_100000103362 [0,1,0,1,0,0|0,0,2]=4 18308 B12R1.272 CCC/C=C/COCC1CCO1 34a_100016278788_100000103362 [0,1,0,1,0,0|0,0,2]=4 18309 B12R1.272 CCC/C=C/COCC1CCO1 7a_100016278788_100000103362 [0,1,0,1,0,0|0,0,2]=4 18310 B12R1.272 CCCC#CCOCC1CCO1 34a_100000034806_100000103362 [0,1,0,1,0,0|0,0,2]=4 18311 B12R1.272 CCCC#CCOCC1CCO1 7a_100000034806_100000103362 [0,1,0,1,0,0|0,0,2]=4 18312 B12R1.272 CCCCCCCCN1CCC1 269982a_100000754969_100000210759 [0,1,0,1,0,0|2,0,0]=4 18313 B12R1.272 CCCCCCCNC1CCC1 2230a_100000749019_100000210681 [0,1,0,1,0,0|1,0,0]=3 18314 B12R1.272 CCCCCCCNC1CCC1 270004a_100000229938_100000241760 [0,1,0,1,0,0|1,0,0]=3 18315 B12R1.272 CCCCCCCNC1CCC1 34a_100000749019_100000210614 [0,1,0,1,0,0|1,0,0]=3 18316 B12R1.272 CCCCCCCNC1COC1 2230a_100016991112_100000210681 [0,1,0,1,0,0|2,0,0]=4 18317 B12R1.272 CCCCCCCOC1CCC1 34a_100000210272_100000749161 [0,1,0,1,0,0|1,0,0]=3 18318 B12R1.272 CCCCCCCOC1CCC1 34a_100000748187_100000210614 [0,1,0,1,0,0|1,0,0]=3 18319 B12R1.272 CCCCCCCOC1COC1 34a_100000210272_100009818527 [0,1,0,1,0,0|2,0,0]=4 18320 B12R1.272 CCCCCCCOC1COC1 7a_100000210272_100009818527 [0,1,0,1,0,0|2,0,0]=4 18321 B12R1.272 CCCCCCCOC1CSC1 7a_100000072292_100000210614 [0,1,0,1,0,0|2,0,0]=4 18322 B12R1.272 CCCCCCCSC1CCC1 62a_100000210614_100000749161 [0,1,0,1,0,0|1,0,0]=3 18323 B12R1.272 CCCCCCCSC1COC1 62a_100000210614_100009818527 [0,1,0,1,0,0|2,0,0]=4 18324 B12R1.272 CCCCCCNCC1CCC1 2230a_100000210581_100000763275 [0,1,0,1,0,0|1,0,0]=3 18325 B12R1.272 CCCCCCNCC1CCC1 2230a_100000738700_100000210314 [0,1,0,1,0,0|1,0,0]=3 18326 B12R1.272 CCCCCCNCC1CCC1 269862a_100000210581_100000753134 [0,1,0,1,0,0|1,0,0]=3 18327 B12R1.272 CCCCCCNCC1CCC1 34a_100000738700_100000210314 [0,1,0,1,0,0|1,0,0]=3 18328 B12R1.272 CCCCCCNCC1CCO1 2230a_100000210581_100000103362 [0,1,0,1,0,0|0,0,0]=2 18329 B12R1.272 CCCCCCNCC1COC1 2230a_100000210581_100010264016 [0,1,0,1,0,0|2,0,0]=4 18330 B12R1.272 CCCCCCNCC1COC1 2230a_100015281925_100000210314 [0,1,0,1,0,0|2,0,0]=4 18331 B12R1.272 CCCCCCNCC1COC1 34a_100015281925_100000210314 [0,1,0,1,0,0|2,0,0]=4 18332 B12R1.272 CCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210314 [0,1,0,1,0,0|0,0,0]=2 18333 B12R1.272 CCCCCCNC[C@@H]1CCO1 34a_100020831831_100000210314 [0,1,0,1,0,0|0,0,0]=2 18334 B12R1.272 CCCCCCOCC1CCC1 34a_100000210259_100000763275 [0,1,0,1,0,0|1,0,0]=3 18335 B12R1.272 CCCCCCOCC1CCC1 34a_100000760304_100000210314 [0,1,0,1,0,0|1,0,0]=3 18336 B12R1.272 CCCCCCOCC1CCC1 7a_100000210259_100000763275 [0,1,0,1,0,0|1,0,0]=3 18337 B12R1.272 CCCCCCOCC1CCO1 34a_100000039022_100000210314 [0,1,0,1,0,0|0,0,0]=2 18338 B12R1.272 CCCCCCOCC1CCO1 34a_100000210259_100000103362 [0,1,0,1,0,0|0,0,0]=2 18339 B12R1.272 CCCCCCOCC1CCO1 7a_100000210259_100000103362 [0,1,0,1,0,0|0,0,0]=2 18340 B12R1.272 CCCCCCOCC1CNC1 34a_100016987283_100000210314 [0,1,0,1,0,0|2,0,0]=4 18341 B12R1.272 CCCCCCOCC1COC1 34a_100000060846_100000210314 [0,1,0,1,0,0|2,0,0]=4 18342 B12R1.272 CCCCCCOCC1COC1 34a_100000210259_100010264016 [0,1,0,1,0,0|2,0,0]=4 18343 B12R1.272 CCCCCCOCC1COC1 7a_100000210259_100010264016 [0,1,0,1,0,0|2,0,0]=4 18344 B12R1.272 CCCCCCSCC1CCC1 62a_100000210314_100000763275 [0,1,0,1,0,0|1,0,0]=3 18345 B12R1.272 CCCCCCSCC1CCC1 62a_100000763275_100000210757 [0,1,0,1,0,0|1,0,0]=3 18346 B12R1.272 CCCCCCSCC1CCO1 62a_100000103362_100000210757 [0,1,0,1,0,0|0,0,0]=2 18347 B12R1.272 CCCCCCSCC1CCO1 62a_100000210314_100000103362 [0,1,0,1,0,0|0,0,0]=2 18348 B12R1.272 CCCCCCSCC1COC1 62a_100000210314_100010264016 [0,1,0,1,0,0|2,0,0]=4 18349 B12R1.272 CCCCCCSCC1COC1 62a_100010264016_100000210757 [0,1,0,1,0,0|2,0,0]=4 18350 B12R1.272 CCCCCOCCC1COC1 34a_100009855314_100000718602 [0,1,0,1,0,0|2,0,0]=4 18351 B12R1.272 CCCCOCCNC1CCC1 2230a_100000749019_100000743108 [0,1,0,1,0,0|2,0,0]=4 18352 B12R1.272 CCCCOCCNC1CCC1 34a_100000749019_100000743108 [0,1,0,1,0,0|2,0,0]=4 18353 B12R1.272 CCCCOCCOC1CCC1 34a_100000210238_100000749161 [0,1,0,1,0,0|2,0,0]=4 18354 B12R1.272 CCCCOCCOC1CCC1 34a_100000748187_100000743108 [0,1,0,1,0,0|2,0,0]=4 18355 B12R1.272 CCCCOCCSC1CCC1 62a_100000743108_100000749161 [0,1,0,1,0,0|2,0,0]=4 18356 B12R1.272 CCCCOCNCC1CCC1 2230a_100000738700_100011995733 [0,1,0,1,0,0|2,0,0]=4 18357 B12R1.272 CCCCOCNCC1CCC1 34a_100000738700_100011995733 [0,1,0,1,0,0|2,0,0]=4 18358 B12R1.272 CCCCOCNC[C@@H]1CCO1 2230a_100020831831_100011995733 [0,1,0,1,0,0|1,0,0]=3 18359 B12R1.272 CCCCOCNC[C@@H]1CCO1 34a_100020831831_100011995733 [0,1,0,1,0,0|1,0,0]=3 18360 B12R1.272 CCCCOCOCC1CCC1 34a_100000760304_100011995733 [0,1,0,1,0,0|2,0,0]=4 18361 B12R1.272 CCCCOCOCC1CCO1 34a_100000039022_100011995733 [0,1,0,1,0,0|1,0,0]=3 18362 B12R1.272 CCCCOCSCC1CCC1 62a_100000763275_100011995733 [0,1,0,1,0,0|2,0,0]=4 18363 B12R1.272 CCCCOCSCC1CCC1 62a_100011995733_100000763275 [0,1,0,1,0,0|2,0,0]=4 18364 B12R1.272 CCCCOCSCC1CCO1 62a_100000103362_100011995733 [0,1,0,1,0,0|1,0,0]=3 18365 B12R1.272 CCCCOCSCC1CCO1 62a_100011995733_100000103362 [0,1,0,1,0,0|1,0,0]=3 18366 B12R1.272 CCCCSCCNC1CCC1 270004a_100025743550_100000241760 [0,1,0,1,0,0|2,0,0]=4 18367 B12R1.272 CCCCSCCOC1CCC1 34a_200000230436_100000749161 [0,1,0,1,0,0|2,0,0]=4 18368 B12R1.272 CCCOCCCNC1CCC1 270004a_100011217757_100000241760 [0,1,0,1,0,0|2,0,0]=4 18369 B12R1.272 CCCOCCCNC1CCC1 34a_100011217757_100000749161 [0,1,0,1,0,0|2,0,0]=4 18370 B12R1.272 CCCOCCNCC1CCC1 2230a_100000738700_100011215938 [0,1,0,1,0,0|2,0,0]=4 18371 B12R1.272 CCCOCCNCC1CCC1 2230a_100161115042_100000763275 [0,1,0,1,0,0|2,0,0]=4 18372 B12R1.272 CCCOCCNCC1CCC1 269862a_100161115042_100000753134 [0,1,0,1,0,0|2,0,0]=4 18373 B12R1.272 CCCOCCNCC1CCC1 34a_100000738700_100011215938 [0,1,0,1,0,0|2,0,0]=4 18374 B12R1.272 CCCOCCNCC1CCC1 34a_100161115042_100000763275 [0,1,0,1,0,0|2,0,0]=4 18375 B12R1.272 CCCOCCNCC1CCO1 2230a_100161115042_100000103362 [0,1,0,1,0,0|1,0,0]=3 18376 B12R1.272 CCCOCCNCC1CCO1 34a_100161115042_100000103362 [0,1,0,1,0,0|1,0,0]=3 18377 B12R1.272 CCCOCCNC[C@@H]1CCO1 2230a_100020831831_100011215938 [0,1,0,1,0,0|1,0,0]=3 18378 B12R1.272 CCCOCCNC[C@@H]1CCO1 34a_100020831831_100011215938 [0,1,0,1,0,0|1,0,0]=3 18379 B12R1.272 CCCOCCOCC1CCC1 34a_100000752267_100000763275 [0,1,0,1,0,0|2,0,0]=4 18380 B12R1.272 CCCOCCOCC1CCC1 34a_100000760304_100011215938 [0,1,0,1,0,0|2,0,0]=4 18381 B12R1.272 CCCOCCOCC1CCC1 7a_100000752267_100000763275 [0,1,0,1,0,0|2,0,0]=4 18382 B12R1.272 CCCOCCOCC1CCO1 34a_100000039022_100011215938 [0,1,0,1,0,0|1,0,0]=3 18383 B12R1.272 CCCOCCOCC1CCO1 34a_100000752267_100000103362 [0,1,0,1,0,0|1,0,0]=3 18384 B12R1.272 CCCOCCOCC1CCO1 7a_100000752267_100000103362 [0,1,0,1,0,0|1,0,0]=3 18385 B12R1.272 CCCOCCSCC1CCC1 62a_100000763275_100011215938 [0,1,0,1,0,0|2,0,0]=4 18386 B12R1.272 CCCOCCSCC1CCC1 62a_100011215938_100000763275 [0,1,0,1,0,0|2,0,0]=4 18387 B12R1.272 CCCOCCSCC1CCO1 62a_100000103362_100011215938 [0,1,0,1,0,0|1,0,0]=3 18388 B12R1.272 CCCOCCSCC1CCO1 62a_100011215938_100000103362 [0,1,0,1,0,0|1,0,0]=3 18389 B12R1.272 CCCSCCNCC1CCC1 2230a_100020603323_100000763275 [0,1,0,1,0,0|2,0,0]=4 18390 B12R1.272 CCCSCCNCC1CCC1 269862a_100020603323_100000753134 [0,1,0,1,0,0|2,0,0]=4 18391 B12R1.272 CCCSCCNCC1CCO1 2230a_100020603323_100000103362 [0,1,0,1,0,0|1,0,0]=3 18392 B12R1.272 CCCSCCOCC1CCC1 34a_200000230433_100000763275 [0,1,0,1,0,0|2,0,0]=4 18393 B12R1.272 CCCSCCOCC1CCC1 7a_200000230433_100000763275 [0,1,0,1,0,0|2,0,0]=4 18394 B12R1.272 CCCSCCOCC1CCO1 34a_200000230433_100000103362 [0,1,0,1,0,0|1,0,0]=3 18395 B12R1.272 CCCSCCOCC1CCO1 7a_200000230433_100000103362 [0,1,0,1,0,0|1,0,0]=3 18396 B12R1.272 CCOCCCNCC1CCC1 2230a_100000210961_100000763275 [0,1,0,1,0,0|2,0,0]=4 18397 B12R1.272 CCOCCCNCC1CCC1 2230a_100000738700_100012232248 [0,1,0,1,0,0|2,0,0]=4 18398 B12R1.272 CCOCCCNCC1CCC1 269862a_100000210961_100000753134 [0,1,0,1,0,0|2,0,0]=4 18399 B12R1.272 CCOCCCNCC1CCC1 34a_100000210961_100000763275 [0,1,0,1,0,0|2,0,0]=4 18400 B12R1.272 CCOCCCNCC1CCC1 34a_100000738700_100012232248 [0,1,0,1,0,0|2,0,0]=4 18401 B12R1.272 CCOCCCNCC1CCO1 2230a_100000210961_100000103362 [0,1,0,1,0,0|1,0,0]=3 18402 B12R1.272 CCOCCCNCC1CCO1 34a_100000210961_100000103362 [0,1,0,1,0,0|1,0,0]=3 18403 B12R1.272 CCOCCCNC[C@@H]1CCO1 2230a_100020831831_100012232248 [0,1,0,1,0,0|1,0,0]=3 18404 B12R1.272 CCOCCCNC[C@@H]1CCO1 34a_100020831831_100012232248 [0,1,0,1,0,0|1,0,0]=3 18405 B12R1.272 CCOCCCOCC1CCC1 34a_100000757476_100000763275 [0,1,0,1,0,0|2,0,0]=4 18406 B12R1.272 CCOCCCOCC1CCC1 34a_100000760304_100012232248 [0,1,0,1,0,0|2,0,0]=4 18407 B12R1.272 CCOCCCOCC1CCC1 7a_100000757476_100000763275 [0,1,0,1,0,0|2,0,0]=4 18408 B12R1.272 CCOCCCOCC1CCO1 34a_100000039022_100012232248 [0,1,0,1,0,0|1,0,0]=3 18409 B12R1.272 CCOCCCOCC1CCO1 34a_100000757476_100000103362 [0,1,0,1,0,0|1,0,0]=3 18410 B12R1.272 CCOCCCOCC1CCO1 7a_100000757476_100000103362 [0,1,0,1,0,0|1,0,0]=3 18411 B12R1.272 CCOCCCSCC1CCC1 62a_100000763275_100012232248 [0,1,0,1,0,0|2,0,0]=4 18412 B12R1.272 CCOCCCSCC1CCC1 62a_100012232248_100000763275 [0,1,0,1,0,0|2,0,0]=4 18413 B12R1.272 CCOCCCSCC1CCO1 62a_100000103362_100012232248 [0,1,0,1,0,0|1,0,0]=3 18414 B12R1.272 CCOCCCSCC1CCO1 62a_100012232248_100000103362 [0,1,0,1,0,0|1,0,0]=3 18415 B12R1.272 CCSCCCOCC1CCC1 34a_100011216438_100000763275 [0,1,0,1,0,0|2,0,0]=4 18416 B12R1.272 CCSCCCOCC1CCC1 7a_100011216438_100000763275 [0,1,0,1,0,0|2,0,0]=4 18417 B12R1.272 CCSCCCOCC1CCO1 34a_100011216438_100000103362 [0,1,0,1,0,0|1,0,0]=3 18418 B12R1.272 CCSCCCOCC1CCO1 7a_100011216438_100000103362 [0,1,0,1,0,0|1,0,0]=3 18419 B12R1.272 CNCCCCCOC1CCC1 34a_100000722520_100000749161 [0,1,0,1,0,0|2,0,0]=4 18420 B12R1.272 COCCCCCCN1CCC1 269982a_100000754969_100011998445 [0,1,0,1,0,0|2,0,0]=4 18421 B12R1.272 COCCCCCNC1CCC1 270004a_100000747528_100000241760 [0,1,0,1,0,0|2,0,0]=4 18422 B12R1.272 COCCCCCNC1CCC1 34a_100000747528_100000749161 [0,1,0,1,0,0|2,0,0]=4 18423 B12R1.272 COCCCCNCC1CCC1 2230a_100000738700_100000730899 [0,1,0,1,0,0|2,0,0]=4 18424 B12R1.272 COCCCCNCC1CCC1 34a_100000738700_100000755781 [0,1,0,1,0,0|2,0,0]=4 18425 B12R1.272 COCCCCNC[C@@H]1CCO1 2230a_100020831831_100000730899 [0,1,0,1,0,0|1,0,0]=3 18426 B12R1.272 COCCCCNC[C@@H]1CCO1 34a_100020831831_100000755781 [0,1,0,1,0,0|1,0,0]=3 18427 B12R1.272 COCCCCOCC1CCC1 34a_100000740925_100000763275 [0,1,0,1,0,0|2,0,0]=4 18428 B12R1.272 COCCCCOCC1CCC1 34a_100000760304_100000755781 [0,1,0,1,0,0|2,0,0]=4 18429 B12R1.272 COCCCCOCC1CCO1 34a_100000039022_100000755781 [0,1,0,1,0,0|1,0,0]=3 18430 B12R1.272 COCCCCOCC1CCO1 34a_100000740925_100000103362 [0,1,0,1,0,0|1,0,0]=3 18431 B12R1.272 COCCCCSCC1CCC1 62a_100000730899_100000763275 [0,1,0,1,0,0|2,0,0]=4 18432 B12R1.272 COCCCCSCC1CCC1 62a_100000763275_100000730899 [0,1,0,1,0,0|2,0,0]=4 18433 B12R1.272 COCCCCSCC1CCO1 62a_100000103362_100000730899 [0,1,0,1,0,0|1,0,0]=3 18434 B12R1.272 COCCCCSCC1CCO1 62a_100000730899_100000103362 [0,1,0,1,0,0|1,0,0]=3 18435 B12R1.272 COCCOCNC[C@@H]1CCO1 2230a_100020831831_100000231047 [0,1,0,1,0,0|2,0,0]=4 18436 B12R1.272 COCCOCSCC1CCO1 62a_100000103362_100000231047 [0,1,0,1,0,0|2,0,0]=4 18437 B12R1.272 COCCOCSCC1CCO1 62a_100000231047_100000103362 [0,1,0,1,0,0|2,0,0]=4 18438 B12R1.272 CSCCCCOCC1CCC1 34a_100011217163_100000763275 [0,1,0,1,0,0|2,0,0]=4 18439 B12R1.272 CSCCCCOCC1CCC1 7a_100011217163_100000763275 [0,1,0,1,0,0|2,0,0]=4 18440 B12R1.272 CSCCCCOCC1CCO1 34a_100011217163_100000103362 [0,1,0,1,0,0|1,0,0]=3 18441 B12R1.272 CSCCCCOCC1CCO1 7a_100011217163_100000103362 [0,1,0,1,0,0|1,0,0]=3 18442 B12R1.272 ClCCCCCCOC1CCC1 34a_100000766143_100000749161 [0,1,0,1,0,0|2,0,0]=4 18443 B12R1.272 ClCCCCCOCC1CCC1 34a_100000746330_100000763275 [0,1,0,1,0,0|2,0,0]=4 18444 B12R1.272 ClCCCCCOCC1CCC1 7a_100000746330_100000763275 [0,1,0,1,0,0|2,0,0]=4 18445 B12R1.272 ClCCCCCOCC1CCO1 34a_100000746330_100000103362 [0,1,0,1,0,0|1,0,0]=3 18446 B12R1.272 ClCCCCCOCC1CCO1 7a_100000746330_100000103362 [0,1,0,1,0,0|1,0,0]=3 18447 B12R1.272 ClCCOCCOCC1CCO1 34a_100011215305_100000103362 [0,1,0,1,0,0|2,0,0]=4 18448 B12R1.272 ClCCOCCOCC1CCO1 7a_100011215305_100000103362 [0,1,0,1,0,0|2,0,0]=4 18449 B12R1.272 FCCCCCCNC1CCC1 2230a_100000749019_100015922095 [0,1,0,1,0,0|2,0,0]=4 18450 B12R1.272 FCCCCCCNC1CCC1 34a_100000749019_100015922095 [0,1,0,1,0,0|2,0,0]=4 18451 B12R1.272 FCCCCCCOC1CCC1 34a_100000732779_100000749161 [0,1,0,1,0,0|2,0,0]=4 18452 B12R1.272 FCCCCCCOC1CCC1 34a_100000748187_100015922095 [0,1,0,1,0,0|2,0,0]=4 18453 B12R1.272 FCCCCCCSC1CCC1 62a_100015922095_100000749161 [0,1,0,1,0,0|2,0,0]=4 18454 B12R1.272 FCCCCCNCC1CCC1 2230a_100000738700_100000729378 [0,1,0,1,0,0|2,0,0]=4 18455 B12R1.272 FCCCCCNCC1CCC1 34a_100000738700_100000729378 [0,1,0,1,0,0|2,0,0]=4 18456 B12R1.272 FCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000729378 [0,1,0,1,0,0|1,0,0]=3 18457 B12R1.272 FCCCCCNC[C@@H]1CCO1 34a_100020831831_100000729378 [0,1,0,1,0,0|1,0,0]=3 18458 B12R1.272 FCCCCCOCC1CCC1 34a_100000760304_100000729378 [0,1,0,1,0,0|2,0,0]=4 18459 B12R1.272 FCCCCCOCC1CCO1 34a_100000039022_100000729378 [0,1,0,1,0,0|1,0,0]=3 18460 B12R1.272 FCCCCCSCC1CCC1 62a_100000729378_100000763275 [0,1,0,1,0,0|2,0,0]=4 18461 B12R1.272 FCCCCCSCC1CCC1 62a_100000763275_100000729378 [0,1,0,1,0,0|2,0,0]=4 18462 B12R1.272 FCCCCCSCC1CCO1 62a_100000103362_100000729378 [0,1,0,1,0,0|1,0,0]=3 18463 B12R1.272 FCCCCCSCC1CCO1 62a_100000729378_100000103362 [0,1,0,1,0,0|1,0,0]=3 18464 B12R1.272 FCCOCCOCC1CCO1 34a_200015357709_100000103362 [0,1,0,1,0,0|2,0,0]=4 18465 B12R1.272 FCCOCCOCC1CCO1 7a_200015357709_100000103362 [0,1,0,1,0,0|2,0,0]=4 18466 B12R1.272 ICCCCCOCC1CCC1 34a_200012148887_100000763275 [0,1,0,1,0,0|2,0,0]=4 18467 B12R1.272 ICCCCCOCC1CCC1 7a_200012148887_100000763275 [0,1,0,1,0,0|2,0,0]=4 18468 B12R1.272 ICCCCCOCC1CCO1 34a_200012148887_100000103362 [0,1,0,1,0,0|1,0,0]=3 18469 B12R1.272 ICCCCCOCC1CCO1 7a_200012148887_100000103362 [0,1,0,1,0,0|1,0,0]=3 18470 B12R1.272 ICCOCCOCC1CCO1 34a_100012149058_100000103362 [0,1,0,1,0,0|2,0,0]=4 18471 B12R1.272 ICCOCCOCC1CCO1 7a_100012149058_100000103362 [0,1,0,1,0,0|2,0,0]=4 18472 B12R1.272 N#CCCCCNC[C@@H]1CCO1 2230a_100020831831_100000211819 [0,1,0,1,0,0|1,0,1]=4 18473 B12R1.272 N#CCCCCSCC1CCO1 62a_100000103362_100000211819 [0,1,0,1,0,0|1,0,1]=4 18474 B12R1.272 N#CCCCCSCC1CCO1 62a_100011219923_100000103362 [0,1,0,1,0,0|1,0,1]=4 18475 B12R1.272 NCCCCCCOC1CCC1 34a_100000686447_100000749161 [0,1,0,1,0,0|2,0,0]=4 18476 B12R1.272 NCCCCCOCC1CCC1 34a_100000762737_100000763275 [0,1,0,1,0,0|2,0,0]=4 18477 B12R1.272 NCCCCCOCC1CCO1 34a_100000762737_100000103362 [0,1,0,1,0,0|1,0,0]=3 18478 B12R1.272 NCCOCCOCC1CCO1 34a_100000211614_100000103362 [0,1,0,1,0,0|2,0,0]=4 18479 B12R1.272 O=CCCCCNC[C@@H]1CCO1 2230a_100020831831_100000139335 [0,1,0,1,0,0|1,0,1]=4 18480 B12R1.272 O=CCCCCSCC1CCO1 62a_100000103362_100000139335 [0,1,0,1,0,0|1,0,1]=4 18481 B12R1.272 O=CCCCCSCC1CCO1 62a_100000139335_100000103362 [0,1,0,1,0,0|1,0,1]=4 18482 B12R1.272 OCCCCCCCN1CCC1 269982a_100000754969_100000760002 [0,1,0,1,0,0|2,0,0]=4 18483 B12R1.272 OCCCCCCNC1CCC1 2230a_100000749019_100000766143 [0,1,0,1,0,0|2,0,0]=4 18484 B12R1.272 OCCCCCCNC1CCC1 270004a_100000686447_100000241760 [0,1,0,1,0,0|2,0,0]=4 18485 B12R1.272 OCCCCCCNC1CCC1 34a_100000686447_100000749161 [0,1,0,1,0,0|2,0,0]=4 18486 B12R1.272 OCCCCCCNC1CCC1 34a_100000749019_100000766143 [0,1,0,1,0,0|2,0,0]=4 18487 B12R1.272 OCCCCCCOC1CCC1 34a_100000748187_100000766143 [0,1,0,1,0,0|2,0,0]=4 18488 B12R1.272 OCCCCCCSC1CCC1 62a_100000766143_100000749161 [0,1,0,1,0,0|2,0,0]=4 18489 B12R1.272 OCCCCCNCC1CCC1 2230a_100000738700_100000746330 [0,1,0,1,0,0|2,0,0]=4 18490 B12R1.272 OCCCCCNCC1CCC1 2230a_100000762737_100000763275 [0,1,0,1,0,0|2,0,0]=4 18491 B12R1.272 OCCCCCNCC1CCC1 269862a_100000762737_100000753134 [0,1,0,1,0,0|2,0,0]=4 18492 B12R1.272 OCCCCCNCC1CCC1 34a_100000738700_100000746330 [0,1,0,1,0,0|2,0,0]=4 18493 B12R1.272 OCCCCCNCC1CCC1 34a_100000762737_100000763275 [0,1,0,1,0,0|2,0,0]=4 18494 B12R1.272 OCCCCCNCC1CCO1 2230a_100000762737_100000103362 [0,1,0,1,0,0|1,0,0]=3 18495 B12R1.272 OCCCCCNCC1CCO1 34a_100000762737_100000103362 [0,1,0,1,0,0|1,0,0]=3 18496 B12R1.272 OCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000746330 [0,1,0,1,0,0|1,0,0]=3 18497 B12R1.272 OCCCCCNC[C@@H]1CCO1 34a_100020831831_100000746330 [0,1,0,1,0,0|1,0,0]=3 18498 B12R1.272 OCCCCCOCC1CCC1 34a_100000760304_100000746330 [0,1,0,1,0,0|2,0,0]=4 18499 B12R1.272 OCCCCCOCC1CCO1 34a_100000039022_100000746330 [0,1,0,1,0,0|1,0,0]=3 18500 B12R1.272 OCCCCCSCC1CCC1 62a_100000746330_100000763275 [0,1,0,1,0,0|2,0,0]=4 18501 B12R1.272 OCCCCCSCC1CCC1 62a_100000763275_100000746330 [0,1,0,1,0,0|2,0,0]=4 18502 B12R1.272 OCCCCCSCC1CCO1 62a_100000103362_100000746330 [0,1,0,1,0,0|1,0,0]=3 18503 B12R1.272 OCCCCCSCC1CCO1 62a_100000746330_100000103362 [0,1,0,1,0,0|1,0,0]=3 18504 B12R1.272 OCCOCCNCC1CCO1 2230a_100000211614_100000103362 [0,1,0,1,0,0|2,0,0]=4 18505 B12R1.272 OCCOCCNCC1CCO1 34a_100000211614_100000103362 [0,1,0,1,0,0|2,0,0]=4 18506 B12R1.272 OCCOCCNC[C@@H]1CCO1 2230a_100020831831_100011215305 [0,1,0,1,0,0|2,0,0]=4 18507 B12R1.272 OCCOCCNC[C@@H]1CCO1 34a_100020831831_100000692535 [0,1,0,1,0,0|2,0,0]=4 18508 B12R1.272 OCCOCCOCC1CCO1 34a_100000039022_100000692535 [0,1,0,1,0,0|2,0,0]=4 18509 B12R1.272 OCCOCCSCC1CCO1 62a_100000103362_100011215305 [0,1,0,1,0,0|2,0,0]=4 18510 B12R1.272 OCCOCCSCC1CCO1 62a_100011215305_100000103362 [0,1,0,1,0,0|2,0,0]=4 18511 B12R1.272 OCCSCCNCC1CCO1 2230a_100011219999_100000103362 [0,1,0,1,0,0|2,0,0]=4 18512 B12R1.291 CCC(C)N1CCC[C@H]1COC 2230a_100020646714_100000758301 [0,1,0,1,0,0|2,0,0]=4 18513 B12R1.291 CCC(C)N1CCC[C@H]1COC 269982a_100020646714_100000758301 [0,1,0,1,0,0|2,0,0]=4 18514 B12R1.291 CCC(C)N1CCC[C@H]1COC 34a_100020646714_100011215416 [0,1,0,1,0,0|2,0,0]=4 18515 B12R1.353 C=CC(O)COC1CCCC1C 34a_100011216460_100000730141 [0,1,0,1,0,0|0,0,2]=4 18516 B12R1.353 C=CC(O)COC1CCCC1C 7a_100011216460_100000730141 [0,1,0,1,0,0|0,0,2]=4 18517 B12R1.353 CC(CO)CNC1CCCC1C 269862a_100000744482_100000752053 [0,1,0,1,0,0|2,0,0]=4 18518 B12R1.353 CC1CCCC1NC[C@@H](F)CO 269862a_100015665980_100000752053 [0,1,0,1,0,0|2,0,0]=4 18519 B12R1.353 CC1CCCC1NC[C@H](O)CO 269862a_100020644852_100000752053 [0,1,0,1,0,0|1,0,0]=3 18520 B12R1.353 CC1CCCC1OCC(O)CO 34a_100011216460_100011219619 [0,1,0,1,0,0|1,0,0]=3 18521 B12R1.353 CC1CCCC1OCC(O)CO 7a_100011216460_100011219619 [0,1,0,1,0,0|1,0,0]=3 18522 B12R1.353 CC1CCCC1OC[C@@H](C)CO 34a_100011216460_100000059175 [0,1,0,1,0,0|2,0,0]=4 18523 B12R1.353 CC1CCCC1OC[C@@H](C)CO 7a_100011216460_100000059175 [0,1,0,1,0,0|2,0,0]=4 18524 B12R1.353 CC1CCCC1OC[C@@H](O)CF 34a_100011216460_100015614560 [0,1,0,1,0,0|1,0,0]=3 18525 B12R1.353 CC1CCCC1OC[C@@H](O)CF 7a_100011216460_100015614560 [0,1,0,1,0,0|1,0,0]=3 18526 B12R1.353 CC1CCCC1OC[C@@H](O)CO 34a_100011216460_100009815848 [0,1,0,1,0,0|1,0,0]=3 18527 B12R1.353 CC1CCCC1OC[C@@H](O)CO 7a_100011216460_100009815848 [0,1,0,1,0,0|1,0,0]=3 18528 B12R1.353 CCC(=O)CCC1CCCN1C 1458a_100000210414_100000005710 [0,1,0,1,0,0|0,0,2]=4 18529 B12R1.353 CCC(=O)COC1CCCC1C 7a_100011216460_100000747405 [0,1,0,1,0,0|0,0,2]=4 18530 B12R1.353 CCC(C)CNC1CCCC1C 269862a_100020588543_100000752053 [0,1,0,1,0,0|1,0,0]=3 18531 B12R1.353 CCC(C)CNC1CCOC1C 270004a_100020588543_100000691750 [0,1,0,1,0,0|2,0,0]=4 18532 B12R1.353 CCC(C)CN[C@H]1CCC[C@@H]1O 270004a_100000748460_100000243153 [0,1,0,1,0,0|2,0,0]=4 18533 B12R1.353 CCC(C)COC1CCCC1C 34a_100011216460_100000748023 [0,1,0,1,0,0|1,0,0]=3 18534 B12R1.353 CCC(C)COC1CCCC1C 7a_100011216460_100000748023 [0,1,0,1,0,0|1,0,0]=3 18535 B12R1.353 CCC(C)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000748023 [0,1,0,1,0,0|2,0,0]=4 18536 B12R1.353 CCC(C)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100000748023 [0,1,0,1,0,0|2,0,0]=4 18537 B12R1.353 CCC(C)CO[C@H]1CNC[C@H]1C 34a_200015306588_100000748023 [0,1,0,1,0,0|2,0,0]=4 18538 B12R1.353 CCC(C)CS[C@@H]1CCC[C@H]1O 62a_100000748023_200016002552 [0,1,0,1,0,0|2,0,0]=4 18539 B12R1.353 CCC(C)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100000748023 [0,1,0,1,0,0|2,0,0]=4 18540 B12R1.353 CCC(C)OCC1CCCN1C 34a_100000743107_100011215416 [0,1,0,1,0,0|2,0,0]=4 18541 B12R1.353 CCC(O)CNC1CCCC1=O 2230a_100011218483_100000211823 [0,1,0,1,0,0|1,0,1]=4 18542 B12R1.353 CCC(O)CNC1CCCC1C 269862a_100011218483_100000752053 [0,1,0,1,0,0|0,0,0]=2 18543 B12R1.353 CCC(O)CNC1CCOC1C 270004a_100011218483_100000691750 [0,1,0,1,0,0|1,0,0]=3 18544 B12R1.353 CCC(O)CN[C@H]1COC[C@@H]1O 2230a_100015191717_100011218378 [0,1,0,1,0,0|2,0,0]=4 18545 B12R1.353 CCC(O)COC1CCCC1=O 34a_200000719330_100011218378 [0,1,0,1,0,0|1,0,1]=4 18546 B12R1.353 CCC(O)COC1CCCC1C 34a_100011216460_100011218378 [0,1,0,1,0,0|0,0,0]=2 18547 B12R1.353 CCC(O)COC1CCCC1C 7a_100011216460_100011218378 [0,1,0,1,0,0|0,0,0]=2 18548 B12R1.353 CCC(O)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100011218378 [0,1,0,1,0,0|1,0,0]=3 18549 B12R1.353 CCC(O)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100011218378 [0,1,0,1,0,0|1,0,0]=3 18550 B12R1.353 CCC(O)CO[C@H]1CNC[C@H]1C 34a_200015306588_100011218378 [0,1,0,1,0,0|1,0,0]=3 18551 B12R1.353 CCC(O)CO[C@H]1COC[C@@H]1N 34a_100015191717_100011218378 [0,1,0,1,0,0|2,0,0]=4 18552 B12R1.353 CCC(O)CSC1CCCC1=O 62a_100000211823_100011218378 [0,1,0,1,0,0|1,0,1]=4 18553 B12R1.353 CCC(O)CSC1CCCC1=O 62a_100011218378_100000211823 [0,1,0,1,0,0|1,0,1]=4 18554 B12R1.353 CCC(O)CSC1COCC1O 62a_100011218378_200000725654 [0,1,0,1,0,0|2,0,0]=4 18555 B12R1.353 CCC(O)CSC1COCC1O 62a_200000725654_100011218378 [0,1,0,1,0,0|2,0,0]=4 18556 B12R1.353 CCC(O)CS[C@@H]1CCC[C@H]1O 62a_100011218378_200016002552 [0,1,0,1,0,0|1,0,0]=3 18557 B12R1.353 CCC(O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100011218378 [0,1,0,1,0,0|1,0,0]=3 18558 B12R1.353 CCN(C)CCC1CCCN1C 2230a_100000225621_100000005710 [0,1,0,1,0,0|2,0,0]=4 18559 B12R1.353 CCN(C)CCC1CCCN1C 269982a_100000225621_100000005710 [0,1,0,1,0,0|2,0,0]=4 18560 B12R1.353 CC[C@H](C)COC1CCCC1C 34a_100011216460_100009816398 [0,1,0,1,0,0|1,0,0]=3 18561 B12R1.353 CC[C@H](C)COC1CCCC1C 7a_100011216460_100009816398 [0,1,0,1,0,0|1,0,0]=3 18562 B12R1.353 CC[C@H](C)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100009816398 [0,1,0,1,0,0|2,0,0]=4 18563 B12R1.353 CC[C@H](C)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100009816398 [0,1,0,1,0,0|2,0,0]=4 18564 B12R1.353 CC[C@H](C)CO[C@H]1CNC[C@H]1C 34a_200015306588_100009816398 [0,1,0,1,0,0|2,0,0]=4 18565 B12R1.353 CC[C@H](C)CS[C@@H]1CCC[C@H]1O 62a_100009816398_200016002552 [0,1,0,1,0,0|2,0,0]=4 18566 B12R1.353 CC[C@H](C)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100009816398 [0,1,0,1,0,0|2,0,0]=4 18567 B12R1.353 CO[C@H](C)CNC1CCCC1C 269862a_100020591295_100000752053 [0,1,0,1,0,0|2,0,0]=4 18568 B12R1.353 C[C@@H]1CNC[C@@H]1OCC(O)CO 34a_200015306588_100011219619 [0,1,0,1,0,0|2,0,0]=4 18569 B12R1.353 C[C@@H]1CNC[C@@H]1OC[C@@H](O)CF 34a_200015306588_100015614560 [0,1,0,1,0,0|2,0,0]=4 18570 B12R1.353 C[C@@H]1CNC[C@@H]1OC[C@@H](O)CO 34a_200015306588_100009815848 [0,1,0,1,0,0|2,0,0]=4 18571 B12R1.353 N[C@H]1CCC[C@@H]1OCC(O)CO 34a_100000748460_100011219619 [0,1,0,1,0,0|2,0,0]=4 18572 B12R1.353 N[C@H]1CCC[C@@H]1OC[C@@H](O)CF 34a_100000748460_100015614560 [0,1,0,1,0,0|2,0,0]=4 18573 B12R1.353 N[C@H]1CCC[C@@H]1OC[C@@H](O)CO 34a_100000748460_100009815848 [0,1,0,1,0,0|2,0,0]=4 18574 B12R1.353 OCC(O)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100011219619 [0,1,0,1,0,0|2,0,0]=4 18575 B12R1.353 OCC(O)CS[C@@H]1CCC[C@H]1O 62a_100011219619_200016002552 [0,1,0,1,0,0|2,0,0]=4 18576 B12R1.353 OCC(O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100011219619 [0,1,0,1,0,0|2,0,0]=4 18577 B12R1.353 OC[C@H](O)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100009815848 [0,1,0,1,0,0|2,0,0]=4 18578 B12R1.353 OC[C@H](O)CS[C@@H]1CCC[C@H]1O 62a_100009815848_200016002552 [0,1,0,1,0,0|2,0,0]=4 18579 B12R1.353 OC[C@H](O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100009815848 [0,1,0,1,0,0|2,0,0]=4 18580 B12R1.353 O[C@@H](CF)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100015614560 [0,1,0,1,0,0|2,0,0]=4 18581 B12R1.353 O[C@@H](CF)CS[C@@H]1CCC[C@H]1O 62a_100015614560_200016002552 [0,1,0,1,0,0|2,0,0]=4 18582 B12R1.353 O[C@@H](CF)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100015614560 [0,1,0,1,0,0|2,0,0]=4 18583 B12R1.356 CC(CO)CCNCC1CCC1 2230a_106354213184_100000763275 [0,1,0,1,0,0|2,0,0]=4 18584 B12R1.356 CC(CO)CCNCC1CCC1 269862a_106354213184_100000753134 [0,1,0,1,0,0|2,0,0]=4 18585 B12R1.356 CC(CO)CCNCC1CCC1 34a_106354213184_100000763275 [0,1,0,1,0,0|2,0,0]=4 18586 B12R1.356 CC(CO)CCNCC1CCO1 2230a_106354213184_100000103362 [0,1,0,1,0,0|2,0,0]=4 18587 B12R1.356 CC(CO)CCNCC1CCO1 34a_106354213184_100000103362 [0,1,0,1,0,0|2,0,0]=4 18588 B12R1.356 CCC(C)CCCOC1COC1 7a_100011216074_100009818527 [0,1,0,1,0,0|2,0,0]=4 18589 B12R1.356 CCC(C)CCNCC1CCC1 2230a_100020591266_100000763275 [0,1,0,1,0,0|1,0,0]=3 18590 B12R1.356 CCC(C)CCNCC1CCC1 269862a_100020591266_100000753134 [0,1,0,1,0,0|1,0,0]=3 18591 B12R1.356 CCC(C)CCNCC1CCO1 2230a_100020591266_100000103362 [0,1,0,1,0,0|1,0,0]=3 18592 B12R1.356 CCC(C)CCNCC1COC1 2230a_100020591266_100010264016 [0,1,0,1,0,0|2,0,0]=4 18593 B12R1.356 CCC(C)CCOCC1CCC1 7a_100011215188_100000763275 [0,1,0,1,0,0|1,0,0]=3 18594 B12R1.356 CCC(C)CCOCC1CCO1 7a_100011215188_100000103362 [0,1,0,1,0,0|1,0,0]=3 18595 B12R1.356 CCC(C)CCOCC1COC1 7a_100011215188_100010264016 [0,1,0,1,0,0|2,0,0]=4 18596 B12R1.356 CCC(C)COCCC1COC1 34a_100009855314_100000748023 [0,1,0,1,0,0|2,0,0]=4 18597 B12R1.356 CCC(O)CNN=CC1CCC1 4a_100015206393_100000753134 [0,1,0,1,0,0|1,0,1]=4 18598 B12R1.356 CCC(O)COCCC1COC1 34a_100009855314_100011218378 [0,1,0,1,0,0|1,0,0]=3 18599 B12R1.356 CCN(C)CCCNC1CCC1 2230a_100000749019_100015186262 [0,1,0,1,0,0|2,0,0]=4 18600 B12R1.356 CC[C@H](C)COCCC1COC1 34a_100009855314_100009816398 [0,1,0,1,0,0|2,0,0]=4 18601 B12R1.356 COC(C)CCOCC1CCC1 7a_100000764861_100000763275 [0,1,0,1,0,0|2,0,0]=4 18602 B12R1.356 COC(C)CCOCC1CCO1 7a_100000764861_100000103362 [0,1,0,1,0,0|2,0,0]=4 18603 B12R1.356 C[C@@H](CN)CCCOC1CCC1 34a_100160569302_100000749161 [0,1,0,1,0,0|2,0,0]=4 18604 B12R1.356 OCC(O)COCCC1COC1 34a_100009855314_100011219619 [0,1,0,1,0,0|2,0,0]=4 18605 B12R1.356 OC[C@H](O)COCCC1COC1 34a_100009855314_100009815848 [0,1,0,1,0,0|2,0,0]=4 18606 B12R1.356 O[C@@H](CF)COCCC1COC1 34a_100009855314_100015614560 [0,1,0,1,0,0|2,0,0]=4 18607 B12R1.360 CC(CO)CCNCCC1CC1 2230a_106354213184_100000694398 [0,1,0,1,0,0|2,0,0]=4 18608 B12R1.360 CC(CO)CCNCCC1CC1 34a_106354213184_100000694398 [0,1,0,1,0,0|2,0,0]=4 18609 B12R1.360 CCC(C)CCCOCC1CC1 7a_100011216074_100000742324 [0,1,0,1,0,0|1,0,0]=3 18610 B12R1.360 CCC(C)CCCOCC1CO1 7a_100011216074_102125554688 [0,1,0,1,0,0|2,0,0]=4 18611 B12R1.360 CCC(C)CCCOCC1CS1 7a_100011216074_100000031435 [0,1,0,1,0,0|2,0,0]=4 18612 B12R1.360 CCC(C)CCCOC[C@@H]1CO1 7a_100011216074_100000745022 [0,1,0,1,0,0|2,0,0]=4 18613 B12R1.360 CCC(C)CCNCCC1CC1 2230a_100020591266_100000694398 [0,1,0,1,0,0|1,0,0]=3 18614 B12R1.360 CCC(C)CCNCCC1CO1 2230a_100020591266_100000732470 [0,1,0,1,0,0|2,0,0]=4 18615 B12R1.360 CCC(C)CCOCCC1CC1 7a_100011215188_100000764125 [0,1,0,1,0,0|1,0,0]=3 18616 B12R1.360 CCC(C)CCOCCC1CO1 7a_100011215188_100000732470 [0,1,0,1,0,0|2,0,0]=4 18617 B12R1.360 CCC(C)CNCCCC1CO1 2230a_100020588543_100000733510 [0,1,0,1,0,0|2,0,0]=4 18618 B12R1.360 CCC(C)COCCNC1CC1 34a_100000738766_100000748023 [0,1,0,1,0,0|2,0,0]=4 18619 B12R1.360 CCC(C)CSCCCC1CO1 62a_100000733510_100000748023 [0,1,0,1,0,0|2,0,0]=4 18620 B12R1.360 CCC(C)CSCCCC1CO1 62a_100000748023_100000733510 [0,1,0,1,0,0|2,0,0]=4 18621 B12R1.360 CCC(O)CNCC#CC1CC1 2230a_100011218483_100009895102 [0,1,0,1,0,0|0,0,2]=4 18622 B12R1.360 CCC(O)CNCCCC1CO1 2230a_100011218483_100000733510 [0,1,0,1,0,0|1,0,0]=3 18623 B12R1.360 CCC(O)COCC#CC1CC1 34a_100000083941_100011218378 [0,1,0,1,0,0|0,0,2]=4 18624 B12R1.360 CCC(O)COCC#CC1CC1 7a_100000083941_100011218378 [0,1,0,1,0,0|0,0,2]=4 18625 B12R1.360 CCC(O)COCCNC1CC1 34a_100000738766_100011218378 [0,1,0,1,0,0|1,0,0]=3 18626 B12R1.360 CCC(O)CSCC#CC1CC1 62a_100009895102_100011218378 [0,1,0,1,0,0|0,0,2]=4 18627 B12R1.360 CCC(O)CSCC#CC1CC1 62a_100011218378_100009895102 [0,1,0,1,0,0|0,0,2]=4 18628 B12R1.360 CCC(O)CSCCCC1CO1 62a_100000733510_100011218378 [0,1,0,1,0,0|1,0,0]=3 18629 B12R1.360 CCC(O)CSCCCC1CO1 62a_100011218378_100000733510 [0,1,0,1,0,0|1,0,0]=3 18630 B12R1.360 CCN(C)CCCNCC1CC1 2230a_100000735609_100015186262 [0,1,0,1,0,0|2,0,0]=4 18631 B12R1.360 CCN(C)CCCSCC1CC1 62a_100000756562_100015186262 [0,1,0,1,0,0|2,0,0]=4 18632 B12R1.360 CC[C@H](C)COCCCC1CO1 7a_100009816381_100000733510 [0,1,0,1,0,0|2,0,0]=4 18633 B12R1.360 CC[C@H](C)COCCNC1CC1 34a_100000738766_100009816398 [0,1,0,1,0,0|2,0,0]=4 18634 B12R1.360 CC[C@H](C)CSCCCC1CO1 62a_100000733510_100009816398 [0,1,0,1,0,0|2,0,0]=4 18635 B12R1.360 CC[C@H](C)CSCCCC1CO1 62a_100009816398_100000733510 [0,1,0,1,0,0|2,0,0]=4 18636 B12R1.360 COC(C)CCOCCC1CC1 7a_100000764861_100000764125 [0,1,0,1,0,0|2,0,0]=4 18637 B12R1.360 C[C@@H](CN)CCCOCC1CC1 34a_100160569302_100000742324 [0,1,0,1,0,0|2,0,0]=4 18638 B12R1.360 OCC(O)COCCNC1CC1 34a_100000738766_100011219619 [0,1,0,1,0,0|2,0,0]=4 18639 B12R1.360 OCC(O)CSCCCC1CO1 62a_100000733510_100011219619 [0,1,0,1,0,0|2,0,0]=4 18640 B12R1.360 OCC(O)CSCCCC1CO1 62a_100011219619_100000733510 [0,1,0,1,0,0|2,0,0]=4 18641 B12R1.360 OC[C@@H](O)CNCCCC1CO1 2230a_100020644852_100000733510 [0,1,0,1,0,0|2,0,0]=4 18642 B12R1.360 OC[C@H](O)COCCNC1CC1 34a_100000738766_100009815848 [0,1,0,1,0,0|2,0,0]=4 18643 B12R1.360 OC[C@H](O)CSCCCC1CO1 62a_100000733510_100009815848 [0,1,0,1,0,0|2,0,0]=4 18644 B12R1.360 OC[C@H](O)CSCCCC1CO1 62a_100009815848_100000733510 [0,1,0,1,0,0|2,0,0]=4 18645 B12R1.360 O[C@@H](CF)COCCNC1CC1 34a_100000738766_100015614560 [0,1,0,1,0,0|2,0,0]=4 18646 B12R1.360 O[C@@H](CF)CSCCCC1CO1 62a_100000733510_100015614560 [0,1,0,1,0,0|2,0,0]=4 18647 B12R1.360 O[C@@H](CF)CSCCCC1CO1 62a_100015614560_100000733510 [0,1,0,1,0,0|2,0,0]=4 18648 B12R1.364 CCN(C)CCCN1CCC1C 269982a_100000755817_100015186262 [0,1,0,1,0,0|2,0,0]=4 18649 B12R1.365 CCC(=O)C1CCCCCN1C 1458a_100015187800_100000210202 [0,1,0,1,0,0|0,0,2]=4 18650 B12R1.371 C=CC(O)CN1CCCCC1C 2230a_100000211376_100000730141 [0,1,0,1,0,0|0,0,2]=4 18651 B12R1.371 C=CC(O)CN1CCCCC1C 34a_100000211376_100000730141 [0,1,0,1,0,0|0,0,2]=4 18652 B12R1.371 CC(CO)NC1CCCCC1C 2230a_100000211402_100012180447 [0,1,0,1,0,0|2,0,0]=4 18653 B12R1.371 CC(CO)NC1CCCCC1C 34a_100000211402_100012180447 [0,1,0,1,0,0|2,0,0]=4 18654 B12R1.371 CC(CO)OC1CCCCC1C 34a_100000211207_100012180447 [0,1,0,1,0,0|2,0,0]=4 18655 B12R1.371 CC(CO)OC1CCCCC1C 7a_100000211207_100012180447 [0,1,0,1,0,0|2,0,0]=4 18656 B12R1.371 CC1CCCCC1N[C@H](C)CF 269862a_100102880703_100000210921 [0,1,0,1,0,0|2,0,0]=4 18657 B12R1.371 CC1CCCCC1N[C@H](C)CF 270004a_100102880703_100000210921 [0,1,0,1,0,0|2,0,0]=4 18658 B12R1.371 CC1CCCCC1N[C@H](C)CO 269862a_100000737577_100000210921 [0,1,0,1,0,0|2,0,0]=4 18659 B12R1.371 CC1CCCCC1N[C@H](C)CO 270004a_100000737577_100000210921 [0,1,0,1,0,0|2,0,0]=4 18660 B12R1.371 CC1CCCCN1CC(O)CO 2230a_100000211376_100011219619 [0,1,0,1,0,0|1,0,0]=3 18661 B12R1.371 CC1CCCCN1CC(O)CO 34a_100000211376_100011219619 [0,1,0,1,0,0|1,0,0]=3 18662 B12R1.371 CC1CCCCN1C[C@@H](C)CO 2230a_100000211376_100000059175 [0,1,0,1,0,0|2,0,0]=4 18663 B12R1.371 CC1CCCCN1C[C@@H](C)CO 269982a_100000211376_100000059175 [0,1,0,1,0,0|2,0,0]=4 18664 B12R1.371 CC1CCCCN1C[C@@H](C)CO 34a_100000211376_100000059175 [0,1,0,1,0,0|2,0,0]=4 18665 B12R1.371 CC1CCCCN1C[C@@H](O)CF 2230a_100000211376_100015614560 [0,1,0,1,0,0|1,0,0]=3 18666 B12R1.371 CC1CCCCN1C[C@@H](O)CF 34a_100000211376_100015614560 [0,1,0,1,0,0|1,0,0]=3 18667 B12R1.371 CC1CCCCN1C[C@@H](O)CO 2230a_100000211376_100009815848 [0,1,0,1,0,0|1,0,0]=3 18668 B12R1.371 CC1CCCCN1C[C@@H](O)CO 34a_100000211376_100009815848 [0,1,0,1,0,0|1,0,0]=3 18669 B12R1.371 CCC(=O)CC1CCCCN1C 1458a_100000210414_100015185383 [0,1,0,1,0,0|0,0,2]=4 18670 B12R1.371 CCC(=O)CN1CCCCC1C 269982a_100000211376_100000747405 [0,1,0,1,0,0|0,0,2]=4 18671 B12R1.371 CCC(=O)NC1CCCCC1C 11a_100000211402_100000210414 [0,1,0,1,0,0|0,0,2]=4 18672 B12R1.371 CCC(=O)NC1CCCCC1C 1626a_100000211402_100000210414 [0,1,0,1,0,0|0,0,2]=4 18673 B12R1.371 CCC(=O)NC1CCCCC1C 240690a_100000211402_100000210414 [0,1,0,1,0,0|0,0,2]=4 18674 B12R1.371 CCC(=O)NC1CCCCC1C 527a_100000211402_100000210414 [0,1,0,1,0,0|0,0,2]=4 18675 B12R1.371 CCC(C)CN1CCCCC1C 2230a_100000211376_100000748023 [0,1,0,1,0,0|1,0,0]=3 18676 B12R1.371 CCC(C)CN1CCCCC1C 269982a_100000211376_100000748023 [0,1,0,1,0,0|1,0,0]=3 18677 B12R1.371 CCC(C)CN1CCCCC1C 270004a_100000211376_100000243153 [0,1,0,1,0,0|1,0,0]=3 18678 B12R1.371 CCC(C)CN1CCCCC1C 34a_100000211376_100000748023 [0,1,0,1,0,0|1,0,0]=3 18679 B12R1.371 CCC(C)CN1CCOC[C@@H]1C 2230a_100009815349_100000748023 [0,1,0,1,0,0|2,0,0]=4 18680 B12R1.371 CCC(C)CN1CCOC[C@@H]1C 269982a_100009815349_100000748023 [0,1,0,1,0,0|2,0,0]=4 18681 B12R1.371 CCC(C)CN1CCOC[C@@H]1C 270004a_100009815349_100000243153 [0,1,0,1,0,0|2,0,0]=4 18682 B12R1.371 CCC(C)CN1CCOC[C@@H]1C 34a_100009815349_100000748023 [0,1,0,1,0,0|2,0,0]=4 18683 B12R1.371 CCC(C)NC1CCCCC1C 2230a_100000211402_100000758301 [0,1,0,1,0,0|1,0,0]=3 18684 B12R1.371 CCC(C)NC1CCCCC1C 269862a_100000209981_100000210921 [0,1,0,1,0,0|1,0,0]=3 18685 B12R1.371 CCC(C)NC1CCCCC1C 270004a_100000209981_100000210921 [0,1,0,1,0,0|1,0,0]=3 18686 B12R1.371 CCC(C)NC1CCCCC1C 34a_100000211402_100011215416 [0,1,0,1,0,0|1,0,0]=3 18687 B12R1.371 CCC(C)NC1CCNCC1C 270004a_100000209981_100000703950 [0,1,0,1,0,0|2,0,0]=4 18688 B12R1.371 CCC(C)NC1CCOCC1C 270004a_100000209981_100000755695 [0,1,0,1,0,0|2,0,0]=4 18689 B12R1.371 CCC(C)N[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000758301 [0,1,0,1,0,0|2,0,0]=4 18690 B12R1.371 CCC(C)N[C@@H]1CCCC[C@H]1F 34a_100015195156_100011215416 [0,1,0,1,0,0|2,0,0]=4 18691 B12R1.371 CCC(C)OC1CCCCC1C 34a_100000211207_100011215416 [0,1,0,1,0,0|1,0,0]=3 18692 B12R1.371 CCC(C)OC1CCCCC1C 7a_100000211207_100000758301 [0,1,0,1,0,0|1,0,0]=3 18693 B12R1.371 CCC(C)OC1CCCCC1Cl 34a_100000038908_100011215416 [0,1,0,1,0,0|2,0,0]=4 18694 B12R1.371 CCC(C)OC1CCCCC1Cl 7a_100000038908_100000758301 [0,1,0,1,0,0|2,0,0]=4 18695 B12R1.371 CCC(C)OC1CCNCC1C 34a_100011998114_100011215416 [0,1,0,1,0,0|2,0,0]=4 18696 B12R1.371 CCC(C)OC1CNCCC1C 34a_100000696640_100011215416 [0,1,0,1,0,0|2,0,0]=4 18697 B12R1.371 CCC(C)O[C@@H]1CCCC[C@H]1F 34a_100009816020_100011215416 [0,1,0,1,0,0|2,0,0]=4 18698 B12R1.371 CCC(C)O[C@@H]1CCCC[C@H]1F 7a_100009816020_100000758301 [0,1,0,1,0,0|2,0,0]=4 18699 B12R1.371 CCC(C)O[C@H]1CCCC[C@H]1N 34a_100015191688_100011215416 [0,1,0,1,0,0|2,0,0]=4 18700 B12R1.371 CCC(C)SC1CCCCC1F 62a_100000758301_100015423560 [0,1,0,1,0,0|2,0,0]=4 18701 B12R1.371 CCC(C)SC1CCCCC1F 62a_100015423560_100000758301 [0,1,0,1,0,0|2,0,0]=4 18702 B12R1.371 CCC(C)SC1CCCCC1O 62a_100000038908_100000758301 [0,1,0,1,0,0|2,0,0]=4 18703 B12R1.371 CCC(C)SC1CCCCC1O 62a_100000758301_100000038908 [0,1,0,1,0,0|2,0,0]=4 18704 B12R1.371 CCC(O)CN1CCCCC1C 2230a_100000211376_100011218378 [0,1,0,1,0,0|0,0,0]=2 18705 B12R1.371 CCC(O)CN1CCCCC1C 269982a_100000211376_100011218378 [0,1,0,1,0,0|0,0,0]=2 18706 B12R1.371 CCC(O)CN1CCCCC1C 34a_100000211376_100011218378 [0,1,0,1,0,0|0,0,0]=2 18707 B12R1.371 CCC(O)CN1CCOC[C@@H]1C 2230a_100009815349_100011218378 [0,1,0,1,0,0|1,0,0]=3 18708 B12R1.371 CCC(O)CN1CCOC[C@@H]1C 269982a_100009815349_100011218378 [0,1,0,1,0,0|1,0,0]=3 18709 B12R1.371 CCC(O)CN1CCOC[C@@H]1C 34a_100009815349_100011218378 [0,1,0,1,0,0|1,0,0]=3 18710 B12R1.371 CCN(C)CC1CCCCN1C 2230a_100015185953_100000210202 [0,1,0,1,0,0|2,0,0]=4 18711 B12R1.371 CCN(C)CC1CCCCN1C 269982a_100000225621_100015185383 [0,1,0,1,0,0|2,0,0]=4 18712 B12R1.371 CCN(C)CC1CCCCN1C 269982a_100015185953_100000204670 [0,1,0,1,0,0|2,0,0]=4 18713 B12R1.371 CC[C@H](C)CN1CCCCC1C 2230a_100000211376_100009816398 [0,1,0,1,0,0|1,0,0]=3 18714 B12R1.371 CC[C@H](C)CN1CCCCC1C 269982a_100000211376_100009816398 [0,1,0,1,0,0|1,0,0]=3 18715 B12R1.371 CC[C@H](C)CN1CCCCC1C 34a_100000211376_100009816398 [0,1,0,1,0,0|1,0,0]=3 18716 B12R1.371 CC[C@H](C)CN1CCOC[C@@H]1C 2230a_100009815349_100009816398 [0,1,0,1,0,0|2,0,0]=4 18717 B12R1.371 CC[C@H](C)CN1CCOC[C@@H]1C 269982a_100009815349_100009816398 [0,1,0,1,0,0|2,0,0]=4 18718 B12R1.371 CC[C@H](C)CN1CCOC[C@@H]1C 34a_100009815349_100009816398 [0,1,0,1,0,0|2,0,0]=4 18719 B12R1.371 C[C@H]1COCCN1CC(O)CO 2230a_100009815349_100011219619 [0,1,0,1,0,0|2,0,0]=4 18720 B12R1.371 C[C@H]1COCCN1CC(O)CO 34a_100009815349_100011219619 [0,1,0,1,0,0|2,0,0]=4 18721 B12R1.371 C[C@H]1COCCN1C[C@@H](O)CF 2230a_100009815349_100015614560 [0,1,0,1,0,0|2,0,0]=4 18722 B12R1.371 C[C@H]1COCCN1C[C@@H](O)CF 34a_100009815349_100015614560 [0,1,0,1,0,0|2,0,0]=4 18723 B12R1.371 C[C@H]1COCCN1C[C@@H](O)CO 2230a_100009815349_100009815848 [0,1,0,1,0,0|2,0,0]=4 18724 B12R1.371 C[C@H]1COCCN1C[C@@H](O)CO 34a_100009815349_100009815848 [0,1,0,1,0,0|2,0,0]=4 18725 B12R1.382 CCC1CCCC(C1)NCCO 270004a_100000210304_100000756783 [0,1,0,1,0,0|2,0,0]=4 18726 B12R1.382 CCC1CCCC(C1)OCCF 7a_100011985506_100011217306 [0,1,0,1,0,0|2,0,0]=4 18727 B12R1.382 CCC1CCCC(C1)OCCO 7a_100011985506_100000211926 [0,1,0,1,0,0|2,0,0]=4 18728 B12R1.382 CCCCN1CCCC(C1)CF 2230a_100016992999_100000210211 [0,1,0,1,0,0|2,0,0]=4 18729 B12R1.382 CCCCN1CCCC(C1)CF 269982a_100016992999_100000210211 [0,1,0,1,0,0|2,0,0]=4 18730 B12R1.382 CCCCN1CCCC(C1)CF 34a_100016992999_100000210210 [0,1,0,1,0,0|2,0,0]=4 18731 B12R1.382 CCCCN1CCCC(C1)CO 2230a_100000211344_100000210211 [0,1,0,1,0,0|2,0,0]=4 18732 B12R1.382 CCCCN1CCCC(C1)CO 269982a_100000211344_100000210211 [0,1,0,1,0,0|2,0,0]=4 18733 B12R1.382 CCCCN1CCCC(C1)CO 34a_100000211344_100000210210 [0,1,0,1,0,0|2,0,0]=4 18734 B12R1.382 CCCCN1CCCC(C1)OC 2230a_100000695604_100000210211 [0,1,0,1,0,0|2,0,0]=4 18735 B12R1.382 CCCCN1CCCC(C1)OC 269982a_100000695604_100000210211 [0,1,0,1,0,0|2,0,0]=4 18736 B12R1.382 CCCCN1CCCC(C1)OC 34a_100000695604_100000210210 [0,1,0,1,0,0|2,0,0]=4 18737 B12R1.382 CCCCN1CCOC(C1)CC 2230a_100000736320_100000210211 [0,1,0,1,0,0|2,0,0]=4 18738 B12R1.382 CCCCN1CCOC(C1)CC 269982a_100000736320_100000210211 [0,1,0,1,0,0|2,0,0]=4 18739 B12R1.382 CCCCN1CCOC(C1)CC 34a_100000736320_100000210210 [0,1,0,1,0,0|2,0,0]=4 18740 B12R1.382 CCCNC1CCCC(C1)CC 270004a_100020643023_100000756783 [0,1,0,1,0,0|1,0,0]=3 18741 B12R1.382 CCCNC1CCCC(C1)SC 270004a_100020643023_100012138059 [0,1,0,1,0,0|2,0,0]=4 18742 B12R1.382 CCCN[C@@H]1CCCN(C1)CC 2230a_100025775482_100000210303 [0,1,0,1,0,0|2,0,0]=4 18743 B12R1.382 CCCOC1CCCC(C1)CC 7a_100011985506_100000210303 [0,1,0,1,0,0|1,0,0]=3 18744 B12R1.382 CCCOC1CCCC(C1)CN 34a_100011254705_100000210303 [0,1,0,1,0,0|2,0,0]=4 18745 B12R1.382 CCCOC1CCCN(C1)CC 2230a_100000743837_100000210202 [0,1,0,1,0,0|2,0,0]=4 18746 B12R1.382 CCCOC1CCCN(C1)CC 269982a_100000743837_100000204670 [0,1,0,1,0,0|2,0,0]=4 18747 B12R1.382 CCCOC1CCCN(C1)CC 34a_100000743837_100000210202 [0,1,0,1,0,0|2,0,0]=4 18748 B12R1.382 CCN1CCCC(C1)CCCO 2230a_100150707839_100000210202 [0,1,0,1,0,0|2,0,0]=4 18749 B12R1.382 CCN1CCCC(C1)CCCO 269982a_100150707839_100000204670 [0,1,0,1,0,0|2,0,0]=4 18750 B12R1.382 CCN1CCCC(C1)CCCO 34a_100150707839_100000210202 [0,1,0,1,0,0|2,0,0]=4 18751 B12R1.382 CCN1CCCC(C1)CCOC 2230a_100011653411_100000210202 [0,1,0,1,0,0|2,0,0]=4 18752 B12R1.382 CCN1CCCC(C1)CCOC 269982a_100011653411_100000204670 [0,1,0,1,0,0|2,0,0]=4 18753 B12R1.382 CCN1CCCC(C1)CCOC 34a_100011653411_100000210202 [0,1,0,1,0,0|2,0,0]=4 18754 B12R1.382 CCNCC1CCCN(C1)CC 2230a_100000747413_100000210202 [0,1,0,1,0,0|2,0,0]=4 18755 B12R1.382 CCOCC1CCCN(C1)CC 7a_200000227639_100000210202 [0,1,0,1,0,0|2,0,0]=4 18756 B12R1.383 CC1CCN1CCCCCCF 269982a_100000755817_100015922095 [0,1,0,1,0,0|2,0,0]=4 18757 B12R1.383 CC1CCN1CCCCCCF 34a_100000755817_100015922095 [0,1,0,1,0,0|2,0,0]=4 18758 B12R1.383 CC1CCN1CCCCCCO 269982a_100000755817_100000766143 [0,1,0,1,0,0|2,0,0]=4 18759 B12R1.383 CC1CCN1CCCCCCO 34a_100000755817_100000766143 [0,1,0,1,0,0|2,0,0]=4 18760 B12R1.383 CCCCCCCN1CCC1C 269982a_100000755817_100000210681 [0,1,0,1,0,0|1,0,0]=3 18761 B12R1.383 CCCCCCCN1CCC1C 34a_100000755817_100000210614 [0,1,0,1,0,0|1,0,0]=3 18762 B12R1.383 CCCCCCOC1CCC1=O 34a_100000210259_100009892977 [0,1,0,1,0,0|0,0,2]=4 18763 B12R1.383 CCCCCCOC1CCC1=O 7a_100000210259_100009892977 [0,1,0,1,0,0|0,0,2]=4 18764 B12R1.383 CCCCCCSC1CCC1=O 62a_100000210314_100009892977 [0,1,0,1,0,0|0,0,2]=4 18765 B12R1.383 CCCCCCSC1CCC1=O 62a_100009892977_100000210757 [0,1,0,1,0,0|0,0,2]=4 18766 B12R1.383 CCCCNCCC1CCC1=O 2230a_100000102301_200016118888 [0,1,0,1,0,0|0,0,2]=4 18767 B12R1.383 CCCCNCCC1CCC1=O 7a_106832991798_200016118888 [0,1,0,1,0,0|0,0,2]=4 18768 B12R1.383 CCCCOCCC1CCC1=O 7a_100000210227_200016118888 [0,1,0,1,0,0|0,0,2]=4 18769 B12R1.383 CCCCOCCN1CCC1C 269982a_100000755817_100000743108 [0,1,0,1,0,0|2,0,0]=4 18770 B12R1.383 CCCCOCCN1CCC1C 34a_100000755817_100000743108 [0,1,0,1,0,0|2,0,0]=4 18771 B12R1.383 CCCCSCCC1CCC1=O 62a_100000210211_200016118888 [0,1,0,1,0,0|0,0,2]=4 18772 B12R1.383 CCCCSCCC1CCC1=O 62a_200016118888_100000210210 [0,1,0,1,0,0|0,0,2]=4 18773 B12R1.387 CCCCN1CCC[C@@]1(C)CO 2230a_100016195882_100000210211 [0,1,0,1,0,0|2,0,0]=4 18774 B12R1.387 CCCCN1CCC[C@@]1(C)CO 269982a_100016195882_100000210211 [0,1,0,1,0,0|2,0,0]=4 18775 B12R1.387 CCCCN1CCC[C@@]1(C)CO 34a_100016195882_100000210210 [0,1,0,1,0,0|2,0,0]=4 18776 B12R1.455 CCC1CCC(C1)NCCCF 270004a_100015189416_100011218773 [0,1,0,1,0,0|2,0,0]=4 18777 B12R1.455 CCC1CCC(C1)NCCCO 270004a_100000182051_100011218773 [0,1,0,1,0,0|2,0,0]=4 18778 B12R1.455 CCC1CCC(C1)NCCOC 270004a_100000209980_100011218773 [0,1,0,1,0,0|2,0,0]=4 18779 B12R1.455 CCC1CCC(C1)NCCSC 270004a_100020590264_100011218773 [0,1,0,1,0,0|2,0,0]=4 18780 B12R1.455 CCCCCN1CCC(C1)C#N 2230a_100016989334_100000210326 [0,1,0,1,0,0|2,0,0]=4 18781 B12R1.455 CCCCCN1CCC(C1)CO 2230a_100000748654_100000210326 [0,1,0,1,0,0|1,0,0]=3 18782 B12R1.455 CCCCCN1CCC(C1)CO 269982a_100000748654_100000210215 [0,1,0,1,0,0|1,0,0]=3 18783 B12R1.455 CCCCCN1CCC(C1)CO 34a_100000748654_100000718602 [0,1,0,1,0,0|1,0,0]=3 18784 B12R1.455 CCCCCN1CC[C@H](C1)OC 2230a_100000766984_100000210326 [0,1,0,1,0,0|1,0,0]=3 18785 B12R1.455 CCCCCN1CC[C@H](C1)OC 269982a_100000766984_100000210215 [0,1,0,1,0,0|1,0,0]=3 18786 B12R1.455 CCCCNC1CCC(C1)C#N 270004a_100000102301_100000717688 [0,1,0,1,0,0|2,0,0]=4 18787 B12R1.455 CCCCNC1CCC(C1)CC 270004a_100000102301_100011218773 [0,1,0,1,0,0|1,0,0]=3 18788 B12R1.455 CCCCNC1CCN(C1)CC 2230a_100015188829_100000210211 [0,1,0,1,0,0|2,0,0]=4 18789 B12R1.455 CCCCNC1CCN(C1)CC 7a_106832991798_200011861547 [0,1,0,1,0,0|2,0,0]=4 18790 B12R1.455 CCCCOC1CCN(C1)CC 7a_100000210227_200011861547 [0,1,0,1,0,0|2,0,0]=4 18791 B12R1.455 CCCCSC1CCN(C1)CC 62a_100000210211_200011861547 [0,1,0,1,0,0|2,0,0]=4 18792 B12R1.455 CCCNCC1CC(=NO1)CC 2230a_100015184091_100000210303 [0,1,0,1,0,0|1,0,1]=4 18793 B12R1.455 CCCNCC1CCN(C1)CC 2230a_100011224064_100000210303 [0,1,0,1,0,0|2,0,0]=4 18794 B12R1.455 CCCNC[C@@H]1CC[C@@H](C1)CO 34a_206354213956_100000210303 [0,1,0,1,0,0|1,0,0]=3 18795 B12R1.455 CCCOCC1CC(=NO1)CC 34a_100000210258_200009817039 [0,1,0,1,0,0|1,0,1]=4 18796 B12R1.455 CCCOCC1CCN(C1)CC 2230a_200011652792_100000210202 [0,1,0,1,0,0|2,0,0]=4 18797 B12R1.455 CCCOCC1CCN(C1)CC 269982a_200011652792_100000204670 [0,1,0,1,0,0|2,0,0]=4 18798 B12R1.455 CCCOCC1CCN(C1)CC 34a_200011652792_100000210202 [0,1,0,1,0,0|2,0,0]=4 18799 B12R1.455 CCCOC[C@H]1CC[C@H](C1)CN 34a_206354213956_100000210303 [0,1,0,1,0,0|2,0,0]=4 18800 B12R1.455 CCCSCC1CC(=NO1)CC 62a_100000210303_200009817039 [0,1,0,1,0,0|1,0,1]=4 18801 B12R1.455 CCCSCC1CC(=NO1)CC 62a_200009817039_100000210303 [0,1,0,1,0,0|1,0,1]=4 18802 B12R1.455 CCCSCC1CCN(C1)CC 62a_100000210303_100015184589 [0,1,0,1,0,0|2,0,0]=4 18803 B12R1.455 CCCSCC1CCN(C1)CC 62a_100015184589_100000210303 [0,1,0,1,0,0|2,0,0]=4 18804 B12R1.455 CCOCCN1CCC(C1)CO 2230a_100000748654_100011215890 [0,1,0,1,0,0|2,0,0]=4 18805 B12R1.455 CCOCCN1CCC(C1)CO 269982a_100000748654_100011215890 [0,1,0,1,0,0|2,0,0]=4 18806 B12R1.455 CCOCCN1CCC(C1)CO 34a_100000748654_100000210147 [0,1,0,1,0,0|2,0,0]=4 18807 B12R1.455 CCOCCN1CC[C@H](C1)OC 2230a_100000766984_100011215890 [0,1,0,1,0,0|2,0,0]=4 18808 B12R1.455 CCOCCN1CC[C@H](C1)OC 269982a_100000766984_100011215890 [0,1,0,1,0,0|2,0,0]=4 18809 B12R1.455 CCSCCN1CCC(C1)CO 2230a_100000748654_100000757381 [0,1,0,1,0,0|2,0,0]=4 18810 B12R1.455 CCSCCN1CCC(C1)CO 269982a_100000748654_100000757381 [0,1,0,1,0,0|2,0,0]=4 18811 B12R1.455 CCSCCN1CCC(C1)CO 34a_100000748654_100000757381 [0,1,0,1,0,0|2,0,0]=4 18812 B12R1.455 CCSCCN1CC[C@H](C1)OC 2230a_100000766984_100000757381 [0,1,0,1,0,0|2,0,0]=4 18813 B12R1.455 CCSCCN1CC[C@H](C1)OC 269982a_100000766984_100000757381 [0,1,0,1,0,0|2,0,0]=4 18814 B12R1.455 COCCCN1CCC(C1)CO 2230a_100000748654_100000740836 [0,1,0,1,0,0|2,0,0]=4 18815 B12R1.455 COCCCN1CCC(C1)CO 269982a_100000748654_100000740836 [0,1,0,1,0,0|2,0,0]=4 18816 B12R1.455 COCCCN1CCC(C1)CO 34a_100000748654_100000740836 [0,1,0,1,0,0|2,0,0]=4 18817 B12R1.455 COCCCN1CC[C@H](C1)OC 2230a_100000766984_100000740836 [0,1,0,1,0,0|2,0,0]=4 18818 B12R1.455 COCCCN1CC[C@H](C1)OC 269982a_100000766984_100000740836 [0,1,0,1,0,0|2,0,0]=4 18819 B12R1.455 CO[C@@H]1CCN(C1)CCCCF 2230a_100000766984_100000729493 [0,1,0,1,0,0|2,0,0]=4 18820 B12R1.455 CO[C@@H]1CCN(C1)CCCCF 269982a_100000766984_100000729493 [0,1,0,1,0,0|2,0,0]=4 18821 B12R1.455 CO[C@@H]1CCN(C1)CCCCO 2230a_100000766984_100000210776 [0,1,0,1,0,0|2,0,0]=4 18822 B12R1.455 CO[C@@H]1CCN(C1)CCCCO 269982a_100000766984_100000210776 [0,1,0,1,0,0|2,0,0]=4 18823 B12R1.455 CSCNC[C@@H]1CC[C@@H](C1)CO 34a_206354213956_100011218213 [0,1,0,1,0,0|2,0,0]=4 18824 B12R1.455 OCC1CCN(C1)CCCCF 2230a_100000748654_100000729493 [0,1,0,1,0,0|2,0,0]=4 18825 B12R1.455 OCC1CCN(C1)CCCCF 269982a_100000748654_100000729493 [0,1,0,1,0,0|2,0,0]=4 18826 B12R1.455 OCC1CCN(C1)CCCCF 34a_100000748654_100000729493 [0,1,0,1,0,0|2,0,0]=4 18827 B12R1.455 OCCCCN1CCC(C1)CO 2230a_100000748654_100000210776 [0,1,0,1,0,0|2,0,0]=4 18828 B12R1.455 OCCCCN1CCC(C1)CO 269982a_100000748654_100000210776 [0,1,0,1,0,0|2,0,0]=4 18829 B12R1.455 OCCCCN1CCC(C1)CO 34a_100000748654_100011216708 [0,1,0,1,0,0|2,0,0]=4 18830 B12R1.455 OCCNC[C@@H]1CC[C@@H](C1)CO 34a_206354213956_100000211926 [0,1,0,1,0,0|2,0,0]=4 18831 B12R1.455 OC[C@H]1CC[C@H](C1)CNCCF 34a_206354213956_100011217306 [0,1,0,1,0,0|2,0,0]=4 18832 B12R1.477 C=CC(O)CNCC1CCCC1 2230a_100000737975_100000730141 [0,1,0,1,0,0|0,0,2]=4 18833 B12R1.477 C=CC(O)CNCC1CCCC1 34a_100000737975_100000730141 [0,1,0,1,0,0|0,0,2]=4 18834 B12R1.477 C=CC(O)COCC1CCCC1 34a_100000742336_100000730141 [0,1,0,1,0,0|0,0,2]=4 18835 B12R1.477 C=CC(O)COCC1CCCC1 7a_100000742336_100000730141 [0,1,0,1,0,0|0,0,2]=4 18836 B12R1.477 C=CC(O)CSCC1CCCC1 62a_100000730141_100000740388 [0,1,0,1,0,0|0,0,2]=4 18837 B12R1.477 C=CC(O)CSCC1CCCC1 62a_100000740388_100000730141 [0,1,0,1,0,0|0,0,2]=4 18838 B12R1.477 CC(CF)OCCC1CCCC1 34a_100016041109_100000760354 [0,1,0,1,0,0|2,0,0]=4 18839 B12R1.477 CC(CF)OCCC1CCCC1 7a_100016041109_100000760354 [0,1,0,1,0,0|2,0,0]=4 18840 B12R1.477 CC(CN)COCC1CCCC1 34a_100000744482_100000740388 [0,1,0,1,0,0|2,0,0]=4 18841 B12R1.477 CC(CN)OCCC1CCCC1 34a_100000210904_100000760354 [0,1,0,1,0,0|2,0,0]=4 18842 B12R1.477 CC(CO)CCNC1CCCC1 2230a_106354213184_100000179811 [0,1,0,1,0,0|2,0,0]=4 18843 B12R1.477 CC(CO)CCNC1CCCC1 270004a_106354213184_100000210133 [0,1,0,1,0,0|2,0,0]=4 18844 B12R1.477 CC(CO)CCNC1CCCC1 34a_106354213184_100000179811 [0,1,0,1,0,0|2,0,0]=4 18845 B12R1.477 CC(CO)CNCC1CCCC1 269862a_100000744482_100000746403 [0,1,0,1,0,0|2,0,0]=4 18846 B12R1.477 CC(CO)CNCC1CCCC1 34a_100000744482_100000740388 [0,1,0,1,0,0|2,0,0]=4 18847 B12R1.477 CC(CO)NCCC1CCCC1 2230a_100000739158_100012180447 [0,1,0,1,0,0|2,0,0]=4 18848 B12R1.477 CC(CO)NCCC1CCCC1 34a_100000739158_100012180447 [0,1,0,1,0,0|2,0,0]=4 18849 B12R1.477 CC(CO)OCCC1CCCC1 34a_100000749090_100012180447 [0,1,0,1,0,0|2,0,0]=4 18850 B12R1.477 CC(CO)OCCC1CCCC1 7a_100000749090_100012180447 [0,1,0,1,0,0|2,0,0]=4 18851 B12R1.477 CC(CO)SCCC1CCCC1 62a_100012180447_100000760354 [0,1,0,1,0,0|2,0,0]=4 18852 B12R1.477 CCC(=O)CCCC1CCCC1 1458a_100000210414_100011713738 [0,1,0,1,0,0|0,0,2]=4 18853 B12R1.477 CCC(=O)CCCN1CCCC1 1458a_100000210414_100011445909 [0,1,0,1,0,0|0,0,2]=4 18854 B12R1.477 CCC(=O)CCCN1CCCC1 1458a_100000743284_100000210202 [0,1,0,1,0,0|0,0,2]=4 18855 B12R1.477 CCC(=O)COCC1CCCC1 34a_100000725409_100000740388 [0,1,0,1,0,0|0,0,2]=4 18856 B12R1.477 CCC(=O)COCC1CCCC1 7a_100000742336_100000747405 [0,1,0,1,0,0|0,0,2]=4 18857 B12R1.477 CCC(=O)CSCC1CCCC1 62a_100000740388_100000747405 [0,1,0,1,0,0|0,0,2]=4 18858 B12R1.477 CCC(=O)CSCC1CCCC1 62a_100000747405_100000740388 [0,1,0,1,0,0|0,0,2]=4 18859 B12R1.477 CCC(=O)NCCC1CCCC1 11a_100000739158_100000210414 [0,1,0,1,0,0|0,0,2]=4 18860 B12R1.477 CCC(=O)NCCC1CCCC1 1626a_100000739158_100000210414 [0,1,0,1,0,0|0,0,2]=4 18861 B12R1.477 CCC(=O)NCCC1CCCC1 240690a_100000739158_100000210414 [0,1,0,1,0,0|0,0,2]=4 18862 B12R1.477 CCC(=O)NCCC1CCCC1 527a_100000739158_100000210414 [0,1,0,1,0,0|0,0,2]=4 18863 B12R1.477 CCC(C)CCNC1CCCC1 2230a_100020591266_100000179811 [0,1,0,1,0,0|1,0,0]=3 18864 B12R1.477 CCC(C)CCNC1CCCC1 270004a_100020591266_100000210133 [0,1,0,1,0,0|1,0,0]=3 18865 B12R1.477 CCC(C)CCNC1CCOC1 2230a_100020591266_100000731011 [0,1,0,1,0,0|2,0,0]=4 18866 B12R1.477 CCC(C)CCNC1CCOC1 270004a_100020591266_100000752484 [0,1,0,1,0,0|2,0,0]=4 18867 B12R1.477 CCC(C)CCNC1CCSC1 270004a_100020591266_100000212027 [0,1,0,1,0,0|2,0,0]=4 18868 B12R1.477 CCC(C)CCOC1CCCC1 7a_100011215188_100000179811 [0,1,0,1,0,0|1,0,0]=3 18869 B12R1.477 CCC(C)CCOC1CCOC1 7a_100011215188_100000731011 [0,1,0,1,0,0|2,0,0]=4 18870 B12R1.477 CCC(C)CNCC1CCCC1 2230a_100000737975_100000748023 [0,1,0,1,0,0|1,0,0]=3 18871 B12R1.477 CCC(C)CNCC1CCCC1 2230a_100020588543_100000740388 [0,1,0,1,0,0|1,0,0]=3 18872 B12R1.477 CCC(C)CNCC1CCCC1 269862a_100020588543_100000746403 [0,1,0,1,0,0|1,0,0]=3 18873 B12R1.477 CCC(C)CNCC1CCCC1 270004a_100000737975_100000243153 [0,1,0,1,0,0|1,0,0]=3 18874 B12R1.477 CCC(C)CNCC1CCCC1 34a_100000737975_100000748023 [0,1,0,1,0,0|1,0,0]=3 18875 B12R1.477 CCC(C)CNCC1CCCO1 2230a_100020588543_100000203698 [0,1,0,1,0,0|2,0,0]=4 18876 B12R1.477 CCC(C)CNCC1CCOC1 2230a_100000737293_100000748023 [0,1,0,1,0,0|2,0,0]=4 18877 B12R1.477 CCC(C)CNCC1CCOC1 2230a_100020588543_100000702531 [0,1,0,1,0,0|2,0,0]=4 18878 B12R1.477 CCC(C)CNCC1CCOC1 270004a_100000737293_100000243153 [0,1,0,1,0,0|2,0,0]=4 18879 B12R1.477 CCC(C)CNCC1CCOC1 34a_100000737293_100000748023 [0,1,0,1,0,0|2,0,0]=4 18880 B12R1.477 CCC(C)CNC[C@@H]1CCCO1 2230a_100020590478_100000748023 [0,1,0,1,0,0|2,0,0]=4 18881 B12R1.477 CCC(C)CNC[C@@H]1CCCO1 270004a_100020590478_100000243153 [0,1,0,1,0,0|2,0,0]=4 18882 B12R1.477 CCC(C)CNC[C@@H]1CCCO1 34a_100020590478_100000748023 [0,1,0,1,0,0|2,0,0]=4 18883 B12R1.477 CCC(C)COCC1CCCC1 34a_100000742336_100000748023 [0,1,0,1,0,0|1,0,0]=3 18884 B12R1.477 CCC(C)COCC1CCCC1 7a_100000742336_100000748023 [0,1,0,1,0,0|1,0,0]=3 18885 B12R1.477 CCC(C)COCC1CCCO1 34a_100000210270_100000748023 [0,1,0,1,0,0|2,0,0]=4 18886 B12R1.477 CCC(C)COCC1CCCO1 7a_100000210270_100000748023 [0,1,0,1,0,0|2,0,0]=4 18887 B12R1.477 CCC(C)COCC1CCNC1 34a_100000748654_100000748023 [0,1,0,1,0,0|2,0,0]=4 18888 B12R1.477 CCC(C)COCC1CCOC1 34a_100000740260_100000748023 [0,1,0,1,0,0|2,0,0]=4 18889 B12R1.477 CCC(C)COC[C@H]1CCCN1 34a_100000745186_100000748023 [0,1,0,1,0,0|2,0,0]=4 18890 B12R1.477 CCC(C)CSCC1CCCC1 62a_100000740388_100000748023 [0,1,0,1,0,0|1,0,0]=3 18891 B12R1.477 CCC(C)CSCC1CCCC1 62a_100000748023_100000740388 [0,1,0,1,0,0|1,0,0]=3 18892 B12R1.477 CCC(C)CSCC1CCCO1 62a_100000203698_100000748023 [0,1,0,1,0,0|2,0,0]=4 18893 B12R1.477 CCC(C)CSCC1CCCO1 62a_100000748023_100000203698 [0,1,0,1,0,0|2,0,0]=4 18894 B12R1.477 CCC(C)CSCC1CCOC1 62a_100000702531_100000748023 [0,1,0,1,0,0|2,0,0]=4 18895 B12R1.477 CCC(C)CSCC1CCOC1 62a_100000748023_100000702531 [0,1,0,1,0,0|2,0,0]=4 18896 B12R1.477 CCC(C)NCCC1CCCC1 2230a_100000209981_100000760354 [0,1,0,1,0,0|1,0,0]=3 18897 B12R1.477 CCC(C)NCCC1CCCC1 2230a_100000739158_100000758301 [0,1,0,1,0,0|1,0,0]=3 18898 B12R1.477 CCC(C)NCCC1CCCC1 34a_100000739158_100011215416 [0,1,0,1,0,0|1,0,0]=3 18899 B12R1.477 CCC(C)OCCC1CCCC1 34a_100000749090_100011215416 [0,1,0,1,0,0|1,0,0]=3 18900 B12R1.477 CCC(C)OCCC1CCCC1 7a_100000210228_100000760354 [0,1,0,1,0,0|1,0,0]=3 18901 B12R1.477 CCC(C)OCCC1CCCC1 7a_100000749090_100000758301 [0,1,0,1,0,0|1,0,0]=3 18902 B12R1.477 CCC(C)OCCC1CCNC1 34a_100016987287_100011215416 [0,1,0,1,0,0|2,0,0]=4 18903 B12R1.477 CCC(C)OCCC1CCOC1 34a_100011879284_100011215416 [0,1,0,1,0,0|2,0,0]=4 18904 B12R1.477 CCC(C)OCCN1CCCC1 7a_100000210228_100000004467 [0,1,0,1,0,0|2,0,0]=4 18905 B12R1.477 CCC(C)SCCC1CCCC1 62a_100000758301_100000760354 [0,1,0,1,0,0|1,0,0]=3 18906 B12R1.477 CCC(C)SCCC1CCCC1 62a_100000760354_100000758301 [0,1,0,1,0,0|1,0,0]=3 18907 B12R1.477 CCC(C)SCCN1CCCC1 62a_100000700749_100000758301 [0,1,0,1,0,0|2,0,0]=4 18908 B12R1.477 CCC(C)SCCN1CCCC1 62a_100000758301_100000004467 [0,1,0,1,0,0|2,0,0]=4 18909 B12R1.477 CCC(O)CNCC1CCCC1 2230a_100000737975_100011218378 [0,1,0,1,0,0|0,0,0]=2 18910 B12R1.477 CCC(O)CNCC1CCCC1 2230a_100011218483_100000740388 [0,1,0,1,0,0|0,0,0]=2 18911 B12R1.477 CCC(O)CNCC1CCCC1 269862a_100011218483_100000746403 [0,1,0,1,0,0|0,0,0]=2 18912 B12R1.477 CCC(O)CNCC1CCCC1 34a_100000737975_100011218378 [0,1,0,1,0,0|0,0,0]=2 18913 B12R1.477 CCC(O)CNCC1CCCO1 2230a_100011218483_100000203698 [0,1,0,1,0,0|1,0,0]=3 18914 B12R1.477 CCC(O)CNCC1CCOC1 2230a_100000737293_100011218378 [0,1,0,1,0,0|1,0,0]=3 18915 B12R1.477 CCC(O)CNCC1CCOC1 2230a_100011218483_100000702531 [0,1,0,1,0,0|1,0,0]=3 18916 B12R1.477 CCC(O)CNCC1CCOC1 34a_100000737293_100011218378 [0,1,0,1,0,0|1,0,0]=3 18917 B12R1.477 CCC(O)CNCC1OCCO1 2230a_100000036311_100011218378 [0,1,0,1,0,0|2,0,0]=4 18918 B12R1.477 CCC(O)CNCC1OCCO1 2230a_100011218483_100000755774 [0,1,0,1,0,0|2,0,0]=4 18919 B12R1.477 CCC(O)CNCC1OCCO1 34a_100000036311_100011218378 [0,1,0,1,0,0|2,0,0]=4 18920 B12R1.477 CCC(O)CNC[C@@H]1CCCO1 2230a_100020590478_100011218378 [0,1,0,1,0,0|1,0,0]=3 18921 B12R1.477 CCC(O)CNC[C@@H]1CCCO1 34a_100020590478_100011218378 [0,1,0,1,0,0|1,0,0]=3 18922 B12R1.477 CCC(O)CNN=C1CCCC1 4a_100015206393_100000210133 [0,1,0,1,0,0|1,0,1]=4 18923 B12R1.477 CCC(O)COCC1CC=CC1 34a_100000688395_100011218378 [0,1,0,1,0,0|0,0,2]=4 18924 B12R1.477 CCC(O)COCC1CCCC1 34a_100000742336_100011218378 [0,1,0,1,0,0|0,0,0]=2 18925 B12R1.477 CCC(O)COCC1CCCC1 7a_100000742336_100011218378 [0,1,0,1,0,0|0,0,0]=2 18926 B12R1.477 CCC(O)COCC1CCCO1 34a_100000210270_100011218378 [0,1,0,1,0,0|1,0,0]=3 18927 B12R1.477 CCC(O)COCC1CCCO1 7a_100000210270_100011218378 [0,1,0,1,0,0|1,0,0]=3 18928 B12R1.477 CCC(O)COCC1CCNC1 34a_100000748654_100011218378 [0,1,0,1,0,0|1,0,0]=3 18929 B12R1.477 CCC(O)COCC1CCOC1 34a_100000740260_100011218378 [0,1,0,1,0,0|1,0,0]=3 18930 B12R1.477 CCC(O)COCC1COCO1 34a_100011216627_100011218378 [0,1,0,1,0,0|2,0,0]=4 18931 B12R1.477 CCC(O)COCC1OCCO1 34a_100000087154_100011218378 [0,1,0,1,0,0|2,0,0]=4 18932 B12R1.477 CCC(O)COC[C@H]1CCCN1 34a_100000745186_100011218378 [0,1,0,1,0,0|1,0,0]=3 18933 B12R1.477 CCC(O)CSCC1CCCC1 62a_100000740388_100011218378 [0,1,0,1,0,0|0,0,0]=2 18934 B12R1.477 CCC(O)CSCC1CCCC1 62a_100011218378_100000740388 [0,1,0,1,0,0|0,0,0]=2 18935 B12R1.477 CCC(O)CSCC1CCCO1 62a_100000203698_100011218378 [0,1,0,1,0,0|1,0,0]=3 18936 B12R1.477 CCC(O)CSCC1CCCO1 62a_100011218378_100000203698 [0,1,0,1,0,0|1,0,0]=3 18937 B12R1.477 CCC(O)CSCC1CCOC1 62a_100000702531_100011218378 [0,1,0,1,0,0|1,0,0]=3 18938 B12R1.477 CCC(O)CSCC1CCOC1 62a_100011218378_100000702531 [0,1,0,1,0,0|1,0,0]=3 18939 B12R1.477 CCC(O)CSCC1OCCO1 62a_100000755774_100011218378 [0,1,0,1,0,0|2,0,0]=4 18940 B12R1.477 CCC(O)CSCC1OCCO1 62a_100011218378_100000755774 [0,1,0,1,0,0|2,0,0]=4 18941 B12R1.477 CCN(C)CCCC1CCCC1 2230a_100000225621_100011713738 [0,1,0,1,0,0|2,0,0]=4 18942 B12R1.477 CCN(C)CCCC1CCCC1 2230a_100015186261_100000210202 [0,1,0,1,0,0|2,0,0]=4 18943 B12R1.477 CCN(C)CCCC1CCCC1 269982a_100000225621_100011713738 [0,1,0,1,0,0|2,0,0]=4 18944 B12R1.477 CCN(C)CCCC1CCCC1 269982a_100015186261_100000204670 [0,1,0,1,0,0|2,0,0]=4 18945 B12R1.477 CCN(C)CCCC1CCCC1 34a_100015186261_100000210202 [0,1,0,1,0,0|2,0,0]=4 18946 B12R1.477 CCN(C)CCCC1CCCO1 2230a_100011698863_100000210202 [0,1,0,1,0,0|2,0,0]=4 18947 B12R1.477 CCN(C)CCCC1CCCO1 269982a_100011698863_100000204670 [0,1,0,1,0,0|2,0,0]=4 18948 B12R1.477 CCN(C)CCCC1CCCO1 34a_100011698863_100000210202 [0,1,0,1,0,0|2,0,0]=4 18949 B12R1.477 CCN(C)CCCN1CCCC1 2230a_100000188435_100015186262 [0,1,0,1,0,0|2,0,0]=4 18950 B12R1.477 CCN(C)CCCN1CCCC1 2230a_100000225621_100011445909 [0,1,0,1,0,0|2,0,0]=4 18951 B12R1.477 CCN(C)CCCN1CCCC1 269982a_100000188435_100015186262 [0,1,0,1,0,0|2,0,0]=4 18952 B12R1.477 CCN(C)CCCN1CCCC1 269982a_100000225621_100011445909 [0,1,0,1,0,0|2,0,0]=4 18953 B12R1.477 CCN(C)CCCN1CCCC1 269982a_100000233079_100000204670 [0,1,0,1,0,0|2,0,0]=4 18954 B12R1.477 CC[C@H](C)CNCC1CCCC1 2230a_100000737975_100009816398 [0,1,0,1,0,0|1,0,0]=3 18955 B12R1.477 CC[C@H](C)CNCC1CCCC1 34a_100000737975_100009816398 [0,1,0,1,0,0|1,0,0]=3 18956 B12R1.477 CC[C@H](C)CNCC1CCOC1 2230a_100000737293_100009816398 [0,1,0,1,0,0|2,0,0]=4 18957 B12R1.477 CC[C@H](C)CNCC1CCOC1 34a_100000737293_100009816398 [0,1,0,1,0,0|2,0,0]=4 18958 B12R1.477 CC[C@H](C)CNC[C@@H]1CCCO1 2230a_100020590478_100009816398 [0,1,0,1,0,0|2,0,0]=4 18959 B12R1.477 CC[C@H](C)CNC[C@@H]1CCCO1 34a_100020590478_100009816398 [0,1,0,1,0,0|2,0,0]=4 18960 B12R1.477 CC[C@H](C)COCC1CCCC1 34a_100000742336_100009816398 [0,1,0,1,0,0|1,0,0]=3 18961 B12R1.477 CC[C@H](C)COCC1CCCC1 7a_100000742336_100009816398 [0,1,0,1,0,0|1,0,0]=3 18962 B12R1.477 CC[C@H](C)COCC1CCCC1 7a_100009816381_100000740388 [0,1,0,1,0,0|1,0,0]=3 18963 B12R1.477 CC[C@H](C)COCC1CCCO1 34a_100000210270_100009816398 [0,1,0,1,0,0|2,0,0]=4 18964 B12R1.477 CC[C@H](C)COCC1CCCO1 7a_100000210270_100009816398 [0,1,0,1,0,0|2,0,0]=4 18965 B12R1.477 CC[C@H](C)COCC1CCCO1 7a_100009816381_100000203698 [0,1,0,1,0,0|2,0,0]=4 18966 B12R1.477 CC[C@H](C)COCC1CCNC1 34a_100000748654_100009816398 [0,1,0,1,0,0|2,0,0]=4 18967 B12R1.477 CC[C@H](C)COCC1CCOC1 34a_100000740260_100009816398 [0,1,0,1,0,0|2,0,0]=4 18968 B12R1.477 CC[C@H](C)COCC1CCOC1 7a_100009816381_100000702531 [0,1,0,1,0,0|2,0,0]=4 18969 B12R1.477 CC[C@H](C)COC[C@H]1CCCN1 34a_100000745186_100009816398 [0,1,0,1,0,0|2,0,0]=4 18970 B12R1.477 CC[C@H](C)CSCC1CCCC1 62a_100000740388_100009816398 [0,1,0,1,0,0|1,0,0]=3 18971 B12R1.477 CC[C@H](C)CSCC1CCCC1 62a_100009816398_100000740388 [0,1,0,1,0,0|1,0,0]=3 18972 B12R1.477 CC[C@H](C)CSCC1CCCO1 62a_100000203698_100009816398 [0,1,0,1,0,0|2,0,0]=4 18973 B12R1.477 CC[C@H](C)CSCC1CCCO1 62a_100009816398_100000203698 [0,1,0,1,0,0|2,0,0]=4 18974 B12R1.477 CC[C@H](C)CSCC1CCOC1 62a_100000702531_100009816398 [0,1,0,1,0,0|2,0,0]=4 18975 B12R1.477 CC[C@H](C)CSCC1CCOC1 62a_100009816398_100000702531 [0,1,0,1,0,0|2,0,0]=4 18976 B12R1.477 COC(C)CCOC1CCCC1 7a_100000764861_100000179811 [0,1,0,1,0,0|2,0,0]=4 18977 B12R1.477 COC(C)COCC1CCCC1 34a_100000690652_100000740388 [0,1,0,1,0,0|2,0,0]=4 18978 B12R1.477 COC(C)SCCC1CCCC1 62a_100000760354_100009879195 [0,1,0,1,0,0|2,0,0]=4 18979 B12R1.477 COC(C)SCCC1CCCC1 62a_100009879195_100000760354 [0,1,0,1,0,0|2,0,0]=4 18980 B12R1.477 CO[C@H](C)CNCC1CCCC1 2230a_100020591295_100000740388 [0,1,0,1,0,0|2,0,0]=4 18981 B12R1.477 CO[C@H](C)CNCC1CCCC1 269862a_100020591295_100000746403 [0,1,0,1,0,0|2,0,0]=4 18982 B12R1.477 C[C@@H](CO)CNCC1CCCC1 2230a_100000737975_100000059175 [0,1,0,1,0,0|2,0,0]=4 18983 B12R1.477 C[C@@H](CO)CNCC1CCCC1 34a_100000737975_100000059175 [0,1,0,1,0,0|2,0,0]=4 18984 B12R1.477 C[C@@H](CO)COCC1CCCC1 34a_100000742336_100000059175 [0,1,0,1,0,0|2,0,0]=4 18985 B12R1.477 C[C@@H](CO)COCC1CCCC1 7a_100000742336_100000059175 [0,1,0,1,0,0|2,0,0]=4 18986 B12R1.477 C[C@@H](CO)CSCC1CCCC1 62a_100000059175_100000740388 [0,1,0,1,0,0|2,0,0]=4 18987 B12R1.477 C[C@@H](CO)CSCC1CCCC1 62a_100000740388_100000059175 [0,1,0,1,0,0|2,0,0]=4 18988 B12R1.477 C[C@H](CO)NCCC1CCCC1 2230a_100000737577_100000760354 [0,1,0,1,0,0|2,0,0]=4 18989 B12R1.477 C[C@H](CO)SCCC1CCCC1 62a_100000760354_100016084084 [0,1,0,1,0,0|2,0,0]=4 18990 B12R1.477 C[C@H](CO)SCCC1CCCC1 62a_100016084084_100000760354 [0,1,0,1,0,0|2,0,0]=4 18991 B12R1.477 ClCC(Cl)COCC1CCCC1 34a_100000033668_100000740388 [0,1,0,1,0,0|2,0,0]=4 18992 B12R1.477 NC[C@@H](F)COCC1CCCC1 34a_100015665980_100000740388 [0,1,0,1,0,0|2,0,0]=4 18993 B12R1.477 OCC(O)CNCC1CCCC1 2230a_100000737975_100011219619 [0,1,0,1,0,0|1,0,0]=3 18994 B12R1.477 OCC(O)CNCC1CCCC1 34a_100000737975_100011219619 [0,1,0,1,0,0|1,0,0]=3 18995 B12R1.477 OCC(O)CNCC1CCOC1 2230a_100000737293_100011219619 [0,1,0,1,0,0|2,0,0]=4 18996 B12R1.477 OCC(O)CNCC1CCOC1 34a_100000737293_100011219619 [0,1,0,1,0,0|2,0,0]=4 18997 B12R1.477 OCC(O)CNC[C@@H]1CCCO1 2230a_100020590478_100011219619 [0,1,0,1,0,0|2,0,0]=4 18998 B12R1.477 OCC(O)CNC[C@@H]1CCCO1 34a_100020590478_100011219619 [0,1,0,1,0,0|2,0,0]=4 18999 B12R1.477 OCC(O)COCC1CCCC1 34a_100000742336_100011219619 [0,1,0,1,0,0|1,0,0]=3 19000 B12R1.477 OCC(O)COCC1CCCC1 7a_100000742336_100011219619 [0,1,0,1,0,0|1,0,0]=3 19001 B12R1.477 OCC(O)COCC1CCCO1 34a_100000210270_100011219619 [0,1,0,1,0,0|2,0,0]=4 19002 B12R1.477 OCC(O)COCC1CCCO1 7a_100000210270_100011219619 [0,1,0,1,0,0|2,0,0]=4 19003 B12R1.477 OCC(O)COCC1CCNC1 34a_100000748654_100011219619 [0,1,0,1,0,0|2,0,0]=4 19004 B12R1.477 OCC(O)COCC1CCOC1 34a_100000740260_100011219619 [0,1,0,1,0,0|2,0,0]=4 19005 B12R1.477 OCC(O)COC[C@H]1CCCN1 34a_100000745186_100011219619 [0,1,0,1,0,0|2,0,0]=4 19006 B12R1.477 OCC(O)CSCC1CCCC1 62a_100000740388_100011219619 [0,1,0,1,0,0|1,0,0]=3 19007 B12R1.477 OCC(O)CSCC1CCCC1 62a_100011219619_100000740388 [0,1,0,1,0,0|1,0,0]=3 19008 B12R1.477 OCC(O)CSCC1CCCO1 62a_100000203698_100011219619 [0,1,0,1,0,0|2,0,0]=4 19009 B12R1.477 OCC(O)CSCC1CCCO1 62a_100011219619_100000203698 [0,1,0,1,0,0|2,0,0]=4 19010 B12R1.477 OCC(O)CSCC1CCOC1 62a_100000702531_100011219619 [0,1,0,1,0,0|2,0,0]=4 19011 B12R1.477 OCC(O)CSCC1CCOC1 62a_100011219619_100000702531 [0,1,0,1,0,0|2,0,0]=4 19012 B12R1.477 OC[C@@H](O)CNCC1CCCC1 2230a_100020644852_100000740388 [0,1,0,1,0,0|1,0,0]=3 19013 B12R1.477 OC[C@@H](O)CNCC1CCCC1 269862a_100020644852_100000746403 [0,1,0,1,0,0|1,0,0]=3 19014 B12R1.477 OC[C@@H](O)CNCC1CCCO1 2230a_100020644852_100000203698 [0,1,0,1,0,0|2,0,0]=4 19015 B12R1.477 OC[C@@H](O)CNCC1CCOC1 2230a_100020644852_100000702531 [0,1,0,1,0,0|2,0,0]=4 19016 B12R1.477 OC[C@H](F)CNCC1CCCC1 269862a_100015665980_100000746403 [0,1,0,1,0,0|2,0,0]=4 19017 B12R1.477 OC[C@H](F)CNCC1CCCC1 34a_100015665980_100000740388 [0,1,0,1,0,0|2,0,0]=4 19018 B12R1.477 OC[C@H](O)CNCC1CCCC1 2230a_100000737975_100009815848 [0,1,0,1,0,0|1,0,0]=3 19019 B12R1.477 OC[C@H](O)CNCC1CCCC1 34a_100000737975_100009815848 [0,1,0,1,0,0|1,0,0]=3 19020 B12R1.477 OC[C@H](O)CNCC1CCOC1 2230a_100000737293_100009815848 [0,1,0,1,0,0|2,0,0]=4 19021 B12R1.477 OC[C@H](O)CNCC1CCOC1 34a_100000737293_100009815848 [0,1,0,1,0,0|2,0,0]=4 19022 B12R1.477 OC[C@H](O)CNC[C@@H]1CCCO1 2230a_100020590478_100009815848 [0,1,0,1,0,0|2,0,0]=4 19023 B12R1.477 OC[C@H](O)CNC[C@@H]1CCCO1 34a_100020590478_100009815848 [0,1,0,1,0,0|2,0,0]=4 19024 B12R1.477 OC[C@H](O)COCC1CCCC1 34a_100000742336_100009815848 [0,1,0,1,0,0|1,0,0]=3 19025 B12R1.477 OC[C@H](O)COCC1CCCC1 7a_100000742336_100009815848 [0,1,0,1,0,0|1,0,0]=3 19026 B12R1.477 OC[C@H](O)COCC1CCCO1 34a_100000210270_100009815848 [0,1,0,1,0,0|2,0,0]=4 19027 B12R1.477 OC[C@H](O)COCC1CCCO1 7a_100000210270_100009815848 [0,1,0,1,0,0|2,0,0]=4 19028 B12R1.477 OC[C@H](O)COCC1CCNC1 34a_100000748654_100009815848 [0,1,0,1,0,0|2,0,0]=4 19029 B12R1.477 OC[C@H](O)COCC1CCOC1 34a_100000740260_100009815848 [0,1,0,1,0,0|2,0,0]=4 19030 B12R1.477 OC[C@H](O)COC[C@H]1CCCN1 34a_100000745186_100009815848 [0,1,0,1,0,0|2,0,0]=4 19031 B12R1.477 OC[C@H](O)CSCC1CCCC1 62a_100000740388_100009815848 [0,1,0,1,0,0|1,0,0]=3 19032 B12R1.477 OC[C@H](O)CSCC1CCCC1 62a_100009815848_100000740388 [0,1,0,1,0,0|1,0,0]=3 19033 B12R1.477 OC[C@H](O)CSCC1CCCO1 62a_100000203698_100009815848 [0,1,0,1,0,0|2,0,0]=4 19034 B12R1.477 OC[C@H](O)CSCC1CCCO1 62a_100009815848_100000203698 [0,1,0,1,0,0|2,0,0]=4 19035 B12R1.477 OC[C@H](O)CSCC1CCOC1 62a_100000702531_100009815848 [0,1,0,1,0,0|2,0,0]=4 19036 B12R1.477 OC[C@H](O)CSCC1CCOC1 62a_100009815848_100000702531 [0,1,0,1,0,0|2,0,0]=4 19037 B12R1.477 O[C@@H](CF)CNCC1CCCC1 2230a_100000737975_100015614560 [0,1,0,1,0,0|1,0,0]=3 19038 B12R1.477 O[C@@H](CF)CNCC1CCCC1 34a_100000737975_100015614560 [0,1,0,1,0,0|1,0,0]=3 19039 B12R1.477 O[C@@H](CF)CNCC1CCOC1 2230a_100000737293_100015614560 [0,1,0,1,0,0|2,0,0]=4 19040 B12R1.477 O[C@@H](CF)CNCC1CCOC1 34a_100000737293_100015614560 [0,1,0,1,0,0|2,0,0]=4 19041 B12R1.477 O[C@@H](CF)CNC[C@@H]1CCCO1 2230a_100020590478_100015614560 [0,1,0,1,0,0|2,0,0]=4 19042 B12R1.477 O[C@@H](CF)CNC[C@@H]1CCCO1 34a_100020590478_100015614560 [0,1,0,1,0,0|2,0,0]=4 19043 B12R1.477 O[C@@H](CF)COCC1CCCC1 34a_100000742336_100015614560 [0,1,0,1,0,0|1,0,0]=3 19044 B12R1.477 O[C@@H](CF)COCC1CCCC1 7a_100000742336_100015614560 [0,1,0,1,0,0|1,0,0]=3 19045 B12R1.477 O[C@@H](CF)COCC1CCCO1 34a_100000210270_100015614560 [0,1,0,1,0,0|2,0,0]=4 19046 B12R1.477 O[C@@H](CF)COCC1CCCO1 7a_100000210270_100015614560 [0,1,0,1,0,0|2,0,0]=4 19047 B12R1.477 O[C@@H](CF)COCC1CCNC1 34a_100000748654_100015614560 [0,1,0,1,0,0|2,0,0]=4 19048 B12R1.477 O[C@@H](CF)COCC1CCOC1 34a_100000740260_100015614560 [0,1,0,1,0,0|2,0,0]=4 19049 B12R1.477 O[C@@H](CF)COC[C@H]1CCCN1 34a_100000745186_100015614560 [0,1,0,1,0,0|2,0,0]=4 19050 B12R1.477 O[C@@H](CF)CSCC1CCCC1 62a_100000740388_100015614560 [0,1,0,1,0,0|1,0,0]=3 19051 B12R1.477 O[C@@H](CF)CSCC1CCCC1 62a_100015614560_100000740388 [0,1,0,1,0,0|1,0,0]=3 19052 B12R1.477 O[C@@H](CF)CSCC1CCCO1 62a_100000203698_100015614560 [0,1,0,1,0,0|2,0,0]=4 19053 B12R1.477 O[C@@H](CF)CSCC1CCCO1 62a_100015614560_100000203698 [0,1,0,1,0,0|2,0,0]=4 19054 B12R1.477 O[C@@H](CF)CSCC1CCOC1 62a_100000702531_100015614560 [0,1,0,1,0,0|2,0,0]=4 19055 B12R1.477 O[C@@H](CF)CSCC1CCOC1 62a_100015614560_100000702531 [0,1,0,1,0,0|2,0,0]=4 19056 B12R1.821 C#CCCCCNCC1(CC1)O 2230a_100011936951_100010269958 [0,1,0,1,0,0|0,0,2]=4 19057 B12R1.821 C=CCCCCNCC1(CC1)O 2230a_100011936951_100011215482 [0,1,0,1,0,0|0,0,2]=4 19058 B12R1.821 CC/C=C\CCNCC1(CC1)O 2230a_100011936951_100015370543 [0,1,0,1,0,0|0,0,2]=4 19059 B12R1.821 CC1(CC1)CNCCCCCF 2230a_100000766693_100000729378 [0,1,0,1,0,0|2,0,0]=4 19060 B12R1.821 CC1(CC1)CNCCCCCO 2230a_100000766693_100000746330 [0,1,0,1,0,0|2,0,0]=4 19061 B12R1.821 CC1(CC1)COCCCCCF 7a_100000698024_100000729378 [0,1,0,1,0,0|2,0,0]=4 19062 B12R1.821 CC1(CC1)COCCCCCO 7a_100000698024_100000746330 [0,1,0,1,0,0|2,0,0]=4 19063 B12R1.821 CC1(CC1)NCCCCCCF 2230a_100000757604_100015922095 [0,1,0,1,0,0|2,0,0]=4 19064 B12R1.821 CC1(CC1)NCCCCCCO 2230a_100000757604_100000766143 [0,1,0,1,0,0|2,0,0]=4 19065 B12R1.821 CC1(CC1)OCCCCCCF 7a_100011725673_100015922095 [0,1,0,1,0,0|2,0,0]=4 19066 B12R1.821 CC1(CC1)OCCCCCCO 7a_100011725673_100000766143 [0,1,0,1,0,0|2,0,0]=4 19067 B12R1.821 CCCCCCCNC1(CC1)C 2230a_100000757604_100000210681 [0,1,0,1,0,0|1,0,0]=3 19068 B12R1.821 CCCCCCCOC1(CC1)C 7a_100011725673_100000210614 [0,1,0,1,0,0|1,0,0]=3 19069 B12R1.821 CCCCCCNCC1(CC1)C 2230a_100000766693_100000210314 [0,1,0,1,0,0|1,0,0]=3 19070 B12R1.821 CCCCCCNCC1(CC1)O 2230a_100011936951_100000210314 [0,1,0,1,0,0|0,0,0]=2 19071 B12R1.821 CCCCCCOCC1(CC1)C 7a_100000698024_100000210314 [0,1,0,1,0,0|1,0,0]=3 19072 B12R1.821 CCCCCCOCC1(CC1)F 34a_200000703853_100000210314 [0,1,0,1,0,0|1,0,0]=3 19073 B12R1.821 CCCCCCOCC1(CC1)F 7a_200000703853_100000210314 [0,1,0,1,0,0|1,0,0]=3 19074 B12R1.821 CCCCCCOCC1(CO1)C 34a_100000210259_100000760498 [0,1,0,1,0,0|2,0,0]=4 19075 B12R1.821 CCCCCCSCC1(CO1)C 62a_100000210314_100000760498 [0,1,0,1,0,0|2,0,0]=4 19076 B12R1.821 CCCCCCSCC1(CO1)C 62a_100000760498_100000210757 [0,1,0,1,0,0|2,0,0]=4 19077 B12R1.821 CCCCOCCNC1(CC1)C 2230a_100000757604_100000743108 [0,1,0,1,0,0|2,0,0]=4 19078 B12R1.821 CCCCOCCOC1(CC1)C 7a_100011725673_100000743108 [0,1,0,1,0,0|2,0,0]=4 19079 B12R1.821 CCCCOCNCC1(CC1)C 2230a_100000766693_100011995733 [0,1,0,1,0,0|2,0,0]=4 19080 B12R1.821 CCCCOCNCC1(CC1)O 2230a_100011936951_100011995733 [0,1,0,1,0,0|1,0,0]=3 19081 B12R1.821 CCCCOCOCC1(CC1)F 34a_200000703853_100011995733 [0,1,0,1,0,0|2,0,0]=4 19082 B12R1.821 CCCOCCNCC1(CC1)C 2230a_100000766693_100011215938 [0,1,0,1,0,0|2,0,0]=4 19083 B12R1.821 CCCOCCNCC1(CC1)O 2230a_100011936951_100011215938 [0,1,0,1,0,0|1,0,0]=3 19084 B12R1.821 CCCOCCOCC1(CC1)C 7a_100000698024_100011215938 [0,1,0,1,0,0|2,0,0]=4 19085 B12R1.821 CCCOCCOCC1(CC1)F 34a_200000703853_100011215938 [0,1,0,1,0,0|2,0,0]=4 19086 B12R1.821 CCCOCCOCC1(CC1)F 7a_200000703853_100011215938 [0,1,0,1,0,0|2,0,0]=4 19087 B12R1.821 CCOCCCNCC1(CC1)C 2230a_100000766693_100012232248 [0,1,0,1,0,0|2,0,0]=4 19088 B12R1.821 CCOCCCNCC1(CC1)O 2230a_100011936951_100012232248 [0,1,0,1,0,0|1,0,0]=3 19089 B12R1.821 CCOCCCOCC1(CC1)C 7a_100000698024_100012232248 [0,1,0,1,0,0|2,0,0]=4 19090 B12R1.821 CCOCCCOCC1(CC1)F 34a_200000703853_100012232248 [0,1,0,1,0,0|2,0,0]=4 19091 B12R1.821 CCOCCCOCC1(CC1)F 7a_200000703853_100012232248 [0,1,0,1,0,0|2,0,0]=4 19092 B12R1.821 COCCCCNCC1(CC1)C 2230a_100000766693_100000730899 [0,1,0,1,0,0|2,0,0]=4 19093 B12R1.821 COCCCCNCC1(CC1)O 2230a_100011936951_100000730899 [0,1,0,1,0,0|1,0,0]=3 19094 B12R1.821 COCCCCOCC1(CC1)C 7a_100000698024_100000730899 [0,1,0,1,0,0|2,0,0]=4 19095 B12R1.821 COCCCCOCC1(CC1)F 34a_200000703853_100000755781 [0,1,0,1,0,0|2,0,0]=4 19096 B12R1.821 COCCCCOCC1(CC1)F 7a_200000703853_100000730899 [0,1,0,1,0,0|2,0,0]=4 19097 B12R1.821 COCCOCNCC1(CC1)O 2230a_100011936951_100000231047 [0,1,0,1,0,0|2,0,0]=4 19098 B12R1.821 FCCCCCOCC1(CC1)F 34a_200000703853_100000729378 [0,1,0,1,0,0|2,0,0]=4 19099 B12R1.821 FCCCCCOCC1(CC1)F 7a_200000703853_100000729378 [0,1,0,1,0,0|2,0,0]=4 19100 B12R1.821 N#CCCCCNCC1(CC1)O 2230a_100011936951_100000211819 [0,1,0,1,0,0|1,0,1]=4 19101 B12R1.821 O=CCCCCNCC1(CC1)O 2230a_100011936951_100000139335 [0,1,0,1,0,0|1,0,1]=4 19102 B12R1.821 OC1(CC1)CNCCCCCF 2230a_100011936951_100000729378 [0,1,0,1,0,0|1,0,0]=3 19103 B12R1.821 OCCCCCNCC1(CC1)O 2230a_100011936951_100000746330 [0,1,0,1,0,0|1,0,0]=3 19104 B12R1.821 OCCCCCOCC1(CC1)F 34a_200000703853_100000746330 [0,1,0,1,0,0|2,0,0]=4 19105 B12R1.821 OCCCCCOCC1(CC1)F 7a_200000703853_100000746330 [0,1,0,1,0,0|2,0,0]=4 19106 B12R1.821 OCCOCCNCC1(CC1)O 2230a_100011936951_100011215305 [0,1,0,1,0,0|2,0,0]=4 19107 B12R1.1659 CC(CO)N1CCCCCCC1 2230a_100000211400_100012180447 [0,1,0,1,0,0|2,0,0]=4 19108 B12R1.1659 CC(CO)N1CCCCCCC1 34a_100000211400_100012180447 [0,1,0,1,0,0|2,0,0]=4 19109 B12R1.1659 CCC(=O)N1CCCCCCC1 11a_100000211400_100000210414 [0,1,0,1,0,0|0,0,2]=4 19110 B12R1.1659 CCC(=O)N1CCCCCCC1 1626a_100000211400_100000210414 [0,1,0,1,0,0|0,0,2]=4 19111 B12R1.1659 CCC(=O)N1CCCCCCC1 240690a_100000211400_100000210414 [0,1,0,1,0,0|0,0,2]=4 19112 B12R1.1659 CCC(=O)N1CCCCCCC1 527a_100000211400_100000210414 [0,1,0,1,0,0|0,0,2]=4 19113 B12R1.1659 CCC(C)N1CCCCCCC1 2230a_100000211400_100000758301 [0,1,0,1,0,0|1,0,0]=3 19114 B12R1.1659 CCC(C)N1CCCCCCC1 269982a_100000211400_100000758301 [0,1,0,1,0,0|1,0,0]=3 19115 B12R1.1659 CCC(C)N1CCCCCCC1 34a_100000211400_100011215416 [0,1,0,1,0,0|1,0,0]=3 19116 B12R1.1659 COC(C)N1CCCCCCC1 269982a_100000211400_100009879195 [0,1,0,1,0,0|2,0,0]=4 19117 B12R1.1659 C[C@H](CO)N1CCCCCCC1 269982a_100000211400_100016084084 [0,1,0,1,0,0|2,0,0]=4 19118 B12R1.1748 C=CC(O)CN1CCCCCC1 2230a_100000185865_100000730141 [0,1,0,1,0,0|0,0,2]=4 19119 B12R1.1748 C=CC(O)CN1CCCCCC1 34a_100000185865_100000730141 [0,1,0,1,0,0|0,0,2]=4 19120 B12R1.1748 CC(CF)OC1CCCCCC1 34a_100016041109_100011217769 [0,1,0,1,0,0|2,0,0]=4 19121 B12R1.1748 CC(CN)OC1CCCCCC1 34a_100000210904_100011217769 [0,1,0,1,0,0|2,0,0]=4 19122 B12R1.1748 CC(CO)NC1CCCCCC1 2230a_100000210984_100012180447 [0,1,0,1,0,0|2,0,0]=4 19123 B12R1.1748 CC(CO)NC1CCCCCC1 34a_100000210984_100012180447 [0,1,0,1,0,0|2,0,0]=4 19124 B12R1.1748 CC(CO)OC1CCCCCC1 34a_100000210887_100012180447 [0,1,0,1,0,0|2,0,0]=4 19125 B12R1.1748 CC(CO)OC1CCCCCC1 7a_100000210887_100012180447 [0,1,0,1,0,0|2,0,0]=4 19126 B12R1.1748 CC(CO)SC1CCCCCC1 62a_100012180447_100011217769 [0,1,0,1,0,0|2,0,0]=4 19127 B12R1.1748 CCC(=O)CC1CCCCCC1 1458a_100000210414_200000696569 [0,1,0,1,0,0|0,0,2]=4 19128 B12R1.1748 CCC(=O)CC1CCCCCC1 1458a_100000685095_100000210202 [0,1,0,1,0,0|0,0,2]=4 19129 B12R1.1748 CCC(=O)CN1CCCCCC1 1458a_100000740298_100000210202 [0,1,0,1,0,0|0,0,2]=4 19130 B12R1.1748 CCC(=O)CN1CCCCCC1 269982a_100000185865_100000747405 [0,1,0,1,0,0|0,0,2]=4 19131 B12R1.1748 CCC(=O)NC1CCCCCC1 11a_100000210984_100000210414 [0,1,0,1,0,0|0,0,2]=4 19132 B12R1.1748 CCC(=O)NC1CCCCCC1 1626a_100000210984_100000210414 [0,1,0,1,0,0|0,0,2]=4 19133 B12R1.1748 CCC(=O)NC1CCCCCC1 240690a_100000210984_100000210414 [0,1,0,1,0,0|0,0,2]=4 19134 B12R1.1748 CCC(=O)NC1CCCCCC1 527a_100000210984_100000210414 [0,1,0,1,0,0|0,0,2]=4 19135 B12R1.1748 CCC(C)CN1CCCCCC1 2230a_100000185865_100000748023 [0,1,0,1,0,0|1,0,0]=3 19136 B12R1.1748 CCC(C)CN1CCCCCC1 269982a_100000185865_100000748023 [0,1,0,1,0,0|1,0,0]=3 19137 B12R1.1748 CCC(C)CN1CCCCCC1 270004a_100000185865_100000243153 [0,1,0,1,0,0|1,0,0]=3 19138 B12R1.1748 CCC(C)CN1CCCCCC1 34a_100000185865_100000748023 [0,1,0,1,0,0|1,0,0]=3 19139 B12R1.1748 CCC(C)CN1CCCOCC1 2230a_100000685342_100000748023 [0,1,0,1,0,0|2,0,0]=4 19140 B12R1.1748 CCC(C)CN1CCCOCC1 269982a_100000685342_100000748023 [0,1,0,1,0,0|2,0,0]=4 19141 B12R1.1748 CCC(C)CN1CCCOCC1 270004a_100000685342_100000243153 [0,1,0,1,0,0|2,0,0]=4 19142 B12R1.1748 CCC(C)CN1CCCOCC1 34a_100000685342_100000748023 [0,1,0,1,0,0|2,0,0]=4 19143 B12R1.1748 CCC(C)NC1CCCCCC1 2230a_100000210984_100000758301 [0,1,0,1,0,0|1,0,0]=3 19144 B12R1.1748 CCC(C)NC1CCCCCC1 270004a_100000209981_100000210131 [0,1,0,1,0,0|1,0,0]=3 19145 B12R1.1748 CCC(C)NC1CCCCCC1 34a_100000210984_100011215416 [0,1,0,1,0,0|1,0,0]=3 19146 B12R1.1748 CCC(C)NC1CCCNCC1 270004a_100000209981_100015187895 [0,1,0,1,0,0|2,0,0]=4 19147 B12R1.1748 CCC(C)OC1CCCCCC1 34a_100000210887_100011215416 [0,1,0,1,0,0|1,0,0]=3 19148 B12R1.1748 CCC(C)OC1CCCCCC1 7a_100000210887_100000758301 [0,1,0,1,0,0|1,0,0]=3 19149 B12R1.1748 CCC(C)SC1CCCCCC1 62a_100000758301_100011217769 [0,1,0,1,0,0|1,0,0]=3 19150 B12R1.1748 CCC(C)SC1CCCCCC1 62a_100011217769_100000758301 [0,1,0,1,0,0|1,0,0]=3 19151 B12R1.1748 CCC(O)CN1CCCCCC1 2230a_100000185865_100011218378 [0,1,0,1,0,0|0,0,0]=2 19152 B12R1.1748 CCC(O)CN1CCCCCC1 269982a_100000185865_100011218378 [0,1,0,1,0,0|0,0,0]=2 19153 B12R1.1748 CCC(O)CN1CCCCCC1 34a_100000185865_100011218378 [0,1,0,1,0,0|0,0,0]=2 19154 B12R1.1748 CCC(O)CN1CCCOCC1 2230a_100000685342_100011218378 [0,1,0,1,0,0|1,0,0]=3 19155 B12R1.1748 CCC(O)CN1CCCOCC1 269982a_100000685342_100011218378 [0,1,0,1,0,0|1,0,0]=3 19156 B12R1.1748 CCC(O)CN1CCCOCC1 34a_100000685342_100011218378 [0,1,0,1,0,0|1,0,0]=3 19157 B12R1.1748 CCN(C)CC1CCCCCC1 2230a_100000225621_200000696569 [0,1,0,1,0,0|2,0,0]=4 19158 B12R1.1748 CCN(C)CC1CCCCCC1 269982a_100000225621_200000696569 [0,1,0,1,0,0|2,0,0]=4 19159 B12R1.1748 CC[C@H](C)CN1CCCCCC1 2230a_100000185865_100009816398 [0,1,0,1,0,0|1,0,0]=3 19160 B12R1.1748 CC[C@H](C)CN1CCCCCC1 269982a_100000185865_100009816398 [0,1,0,1,0,0|1,0,0]=3 19161 B12R1.1748 CC[C@H](C)CN1CCCCCC1 34a_100000185865_100009816398 [0,1,0,1,0,0|1,0,0]=3 19162 B12R1.1748 CC[C@H](C)CN1CCCOCC1 2230a_100000685342_100009816398 [0,1,0,1,0,0|2,0,0]=4 19163 B12R1.1748 CC[C@H](C)CN1CCCOCC1 269982a_100000685342_100009816398 [0,1,0,1,0,0|2,0,0]=4 19164 B12R1.1748 CC[C@H](C)CN1CCCOCC1 34a_100000685342_100009816398 [0,1,0,1,0,0|2,0,0]=4 19165 B12R1.1748 COC(C)SC1CCCCCC1 62a_100009879195_100011217769 [0,1,0,1,0,0|2,0,0]=4 19166 B12R1.1748 COC(C)SC1CCCCCC1 62a_100011217769_100009879195 [0,1,0,1,0,0|2,0,0]=4 19167 B12R1.1748 C[C@@H](CO)CN1CCCCCC1 2230a_100000185865_100000059175 [0,1,0,1,0,0|2,0,0]=4 19168 B12R1.1748 C[C@@H](CO)CN1CCCCCC1 269982a_100000185865_100000059175 [0,1,0,1,0,0|2,0,0]=4 19169 B12R1.1748 C[C@@H](CO)CN1CCCCCC1 34a_100000185865_100000059175 [0,1,0,1,0,0|2,0,0]=4 19170 B12R1.1748 C[C@H](CF)NC1CCCCCC1 270004a_100102880703_100000210131 [0,1,0,1,0,0|2,0,0]=4 19171 B12R1.1748 C[C@H](CO)NC1CCCCCC1 270004a_100000737577_100000210131 [0,1,0,1,0,0|2,0,0]=4 19172 B12R1.1748 C[C@H](CO)SC1CCCCCC1 62a_100011217769_100016084084 [0,1,0,1,0,0|2,0,0]=4 19173 B12R1.1748 C[C@H](CO)SC1CCCCCC1 62a_100016084084_100011217769 [0,1,0,1,0,0|2,0,0]=4 19174 B12R1.1748 OCC(O)CN1CCCCCC1 2230a_100000185865_100011219619 [0,1,0,1,0,0|1,0,0]=3 19175 B12R1.1748 OCC(O)CN1CCCCCC1 34a_100000185865_100011219619 [0,1,0,1,0,0|1,0,0]=3 19176 B12R1.1748 OCC(O)CN1CCCOCC1 2230a_100000685342_100011219619 [0,1,0,1,0,0|2,0,0]=4 19177 B12R1.1748 OCC(O)CN1CCCOCC1 34a_100000685342_100011219619 [0,1,0,1,0,0|2,0,0]=4 19178 B12R1.1748 OC[C@H](O)CN1CCCCCC1 2230a_100000185865_100009815848 [0,1,0,1,0,0|1,0,0]=3 19179 B12R1.1748 OC[C@H](O)CN1CCCCCC1 34a_100000185865_100009815848 [0,1,0,1,0,0|1,0,0]=3 19180 B12R1.1748 OC[C@H](O)CN1CCCOCC1 2230a_100000685342_100009815848 [0,1,0,1,0,0|2,0,0]=4 19181 B12R1.1748 OC[C@H](O)CN1CCCOCC1 34a_100000685342_100009815848 [0,1,0,1,0,0|2,0,0]=4 19182 B12R1.1748 O[C@@H](CF)CN1CCCCCC1 2230a_100000185865_100015614560 [0,1,0,1,0,0|1,0,0]=3 19183 B12R1.1748 O[C@@H](CF)CN1CCCCCC1 34a_100000185865_100015614560 [0,1,0,1,0,0|1,0,0]=3 19184 B12R1.1748 O[C@@H](CF)CN1CCCOCC1 2230a_100000685342_100015614560 [0,1,0,1,0,0|2,0,0]=4 19185 B12R1.1748 O[C@@H](CF)CN1CCCOCC1 34a_100000685342_100015614560 [0,1,0,1,0,0|2,0,0]=4 19186 B12R1.1759 C#CCCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100010269958 [0,1,0,1,0,0|0,0,2]=4 19187 B12R1.1759 C#CCCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100010269958 [0,1,0,1,0,0|0,0,2]=4 19188 B12R1.1759 C=CCCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100011215482 [0,1,0,1,0,0|0,0,2]=4 19189 B12R1.1759 C=CCCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100011215482 [0,1,0,1,0,0|0,0,2]=4 19190 B12R1.1759 CC/C=C\CCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100015370543 [0,1,0,1,0,0|0,0,2]=4 19191 B12R1.1759 CC/C=C\CCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100015370543 [0,1,0,1,0,0|0,0,2]=4 19192 B12R1.1759 CCCCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210314 [0,1,0,1,0,0|0,0,0]=2 19193 B12R1.1759 CCCCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210757 [0,1,0,1,0,0|0,0,0]=2 19194 B12R1.1759 CCCCOCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100011995733 [0,1,0,1,0,0|1,0,0]=3 19195 B12R1.1759 CCCCOCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100011995733 [0,1,0,1,0,0|1,0,0]=3 19196 B12R1.1759 CCCOCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100011215938 [0,1,0,1,0,0|1,0,0]=3 19197 B12R1.1759 CCCOCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100011215938 [0,1,0,1,0,0|1,0,0]=3 19198 B12R1.1759 CCOCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100012232248 [0,1,0,1,0,0|1,0,0]=3 19199 B12R1.1759 CCOCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100012232248 [0,1,0,1,0,0|1,0,0]=3 19200 B12R1.1759 COCCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000730899 [0,1,0,1,0,0|1,0,0]=3 19201 B12R1.1759 COCCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000730899 [0,1,0,1,0,0|1,0,0]=3 19202 B12R1.1759 COCCOCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000231047 [0,1,0,1,0,0|2,0,0]=4 19203 B12R1.1759 COCCOCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000231047 [0,1,0,1,0,0|2,0,0]=4 19204 B12R1.1759 C[C@H]1[C@H](CN1CCCCC#N)O 2230a_206633788156_100000211819 [0,1,0,1,0,0|1,0,1]=4 19205 B12R1.1759 C[C@H]1[C@H](CN1CCCCC#N)O 269982a_206633788156_100011219923 [0,1,0,1,0,0|1,0,1]=4 19206 B12R1.1759 C[C@H]1[C@H](CN1CCCCC=O)O 2230a_206633788156_100000139335 [0,1,0,1,0,0|1,0,1]=4 19207 B12R1.1759 C[C@H]1[C@H](CN1CCCCC=O)O 269982a_206633788156_100000139335 [0,1,0,1,0,0|1,0,1]=4 19208 B12R1.1759 C[C@H]1[C@H](CN1CCCCCF)O 2230a_206633788156_100000729378 [0,1,0,1,0,0|1,0,0]=3 19209 B12R1.1759 C[C@H]1[C@H](CN1CCCCCF)O 269982a_206633788156_100000729378 [0,1,0,1,0,0|1,0,0]=3 19210 B12R1.1759 C[C@H]1[C@H](CN1CCCCCO)O 2230a_206633788156_100000746330 [0,1,0,1,0,0|1,0,0]=3 19211 B12R1.1759 C[C@H]1[C@H](CN1CCCCCO)O 269982a_206633788156_100000746330 [0,1,0,1,0,0|1,0,0]=3 19212 B12R1.1759 C[C@H]1[C@H](CN1CCOCCO)O 2230a_206633788156_100011215305 [0,1,0,1,0,0|2,0,0]=4 19213 B12R1.1759 C[C@H]1[C@H](CN1CCOCCO)O 269982a_206633788156_100011215305 [0,1,0,1,0,0|2,0,0]=4 19214 B12R1.1761 CCC1CN(C1)CCCCCF 2230a_100015205115_100000729378 [0,1,0,1,0,0|2,0,0]=4 19215 B12R1.1761 CCC1CN(C1)CCCCCF 269982a_100015205115_100000729378 [0,1,0,1,0,0|2,0,0]=4 19216 B12R1.1761 CCC1CN(C1)CCCCCO 2230a_100015205115_100000746330 [0,1,0,1,0,0|2,0,0]=4 19217 B12R1.1761 CCC1CN(C1)CCCCCO 269982a_100015205115_100000746330 [0,1,0,1,0,0|2,0,0]=4 19218 B12R1.1761 CCC1CN(C1)CCCCOC 2230a_100015205115_100000730899 [0,1,0,1,0,0|2,0,0]=4 19219 B12R1.1761 CCC1CN(C1)CCCCOC 269982a_100015205115_100000730899 [0,1,0,1,0,0|2,0,0]=4 19220 B12R1.1761 CCCCCCN1CC(C1)CC 2230a_100015205115_100000210314 [0,1,0,1,0,0|1,0,0]=3 19221 B12R1.1761 CCCCCCN1CC(C1)CC 269982a_100015205115_100000210757 [0,1,0,1,0,0|1,0,0]=3 19222 B12R1.1761 CCCCCCN1CC(C1)CF 269982a_100010363649_100000210757 [0,1,0,1,0,0|2,0,0]=4 19223 B12R1.1761 CCCCCCN1CC(C1)CF 34a_100010363649_100000210314 [0,1,0,1,0,0|2,0,0]=4 19224 B12R1.1761 CCCCCCN1CC(C1)CO 269982a_100016987283_100000210757 [0,1,0,1,0,0|2,0,0]=4 19225 B12R1.1761 CCCCCCN1CC(C1)CO 34a_100016987283_100000210314 [0,1,0,1,0,0|2,0,0]=4 19226 B12R1.1761 CCCCCCN1CC(C1)OC 269982a_100000755009_100000210757 [0,1,0,1,0,0|2,0,0]=4 19227 B12R1.1761 CCCCCCN1CC(C1)SC 269982a_100016990038_100000210757 [0,1,0,1,0,0|2,0,0]=4 19228 B12R1.1761 CCCCCNC1CC(C1)CO 270004a_100000209983_100000101936 [0,1,0,1,0,0|2,0,0]=4 19229 B12R1.1761 CCCCCNC1CN(C1)CC 2230a_200015199589_100000210326 [0,1,0,1,0,0|2,0,0]=4 19230 B12R1.1761 CCCCCN[C@H]1C[C@@H](C1)OC 2230a_100121570643_100000210326 [0,1,0,1,0,0|2,0,0]=4 19231 B12R1.1761 CCCCCSC1CC(C1)CO 62a_100000210326_100009874164 [0,1,0,1,0,0|2,0,0]=4 19232 B12R1.1761 CCCCCSC1CC(C1)CO 62a_100009874164_100000210326 [0,1,0,1,0,0|2,0,0]=4 19233 B12R1.1761 CCCCOCN1CC(C1)CC 2230a_100015205115_100011995733 [0,1,0,1,0,0|2,0,0]=4 19234 B12R1.1761 CCCCOCN1CC(C1)CC 269982a_100015205115_100011995733 [0,1,0,1,0,0|2,0,0]=4 19235 B12R1.1761 CCCOCCN1CC(C1)CC 2230a_100015205115_100011215938 [0,1,0,1,0,0|2,0,0]=4 19236 B12R1.1761 CCCOCCN1CC(C1)CC 269982a_100015205115_100011215938 [0,1,0,1,0,0|2,0,0]=4 19237 B12R1.1761 CCOCCCN1CC(C1)CC 2230a_100015205115_100012232248 [0,1,0,1,0,0|2,0,0]=4 19238 B12R1.1761 CCOCCCN1CC(C1)CC 269982a_100015205115_100012232248 [0,1,0,1,0,0|2,0,0]=4 19239 B12R1.43 CC(=O)C(C)CC1CCCCC1 1458a_200011416370_200000210301 [0,1,0,1,0,0|1,0,1]=4 19240 B12R1.43 CC(=O)[C@H](O)CC1CCCCC1 1458a_100016183741_200000210301 [0,1,0,1,0,0|0,0,1]=3 19241 B12R1.43 CC(C)C(=O)CC1CCCCC1 1458a_100000210198_100000211423 [0,1,0,1,0,0|0,0,2]=4 19242 B12R1.43 CC(C)C(=O)CC1CCCCC1 1458a_100000211666_100000210206 [0,1,0,1,0,0|0,0,2]=4 19243 B12R1.43 CC(C)C(C)NC1CCCCC1 270004a_100000211541_100000210434 [0,1,0,1,0,0|2,0,0]=4 19244 B12R1.43 CC(C)C(C)OC1CCCCC1 7a_100000748068_100000210327 [0,1,0,1,0,0|2,0,0]=4 19245 B12R1.43 CC(C)N(C)CC1CCCCC1 2230a_100000736448_100000210206 [0,1,0,1,0,0|2,0,0]=4 19246 B12R1.43 CC(C)N(C)CC1CCCCC1 269982a_100000736448_100000210206 [0,1,0,1,0,0|2,0,0]=4 19247 B12R1.43 CC(C)N(C)CC1CCCCC1 269982a_200000211004_100000211423 [0,1,0,1,0,0|2,0,0]=4 19248 B12R1.43 CC(C)N(C)CC1CCCCC1 34a_100000736448_100000210206 [0,1,0,1,0,0|2,0,0]=4 19249 B12R1.43 CC(CC1CCCCC1)C(=O)[13CH3] 1458a_200011416370_200025704644 [0,1,0,1,0,0|1,0,1]=4 19250 B12R1.43 CC(CC1CCCCC1)N(C)C 270004a_100102631434_100011215996 [0,1,0,1,0,0|2,0,0]=4 19251 B12R1.43 CC(F)C(=O)CC1CCCCC1 1458a_100000062450_100000211423 [0,1,0,1,0,0|0,0,2]=4 19252 B12R1.43 C[C@@H](O)C(=O)CC1CCCCC1 1458a_100000717761_100000211423 [0,1,0,1,0,0|0,0,2]=4 19253 B12R1.43 C[C@H](O)C(=O)CC1CCCCC1 1458a_217856618621_100000211423 [0,1,0,1,0,0|0,0,2]=4 19254 B12R1.43 [13CH3]C(=O)[C@H](O)CC1CCCCC1 1458a_100016183741_200025704644 [0,1,0,1,0,0|0,0,1]=3 19255 B12R1.80 CCC1CCCC1N(C)C(C)C 270004a_200000211004_100000749056 [0,1,0,1,0,0|2,0,0]=4 19256 B12R1.124 CC(C)C(=O)C1CCCCC1C 1458a_100011215568_100000210206 [0,1,0,1,0,0|0,0,2]=4 19257 B12R1.124 CC1CCCCC1N(C)C(C)C 270004a_200000211004_100000210921 [0,1,0,1,0,0|2,0,0]=4 19258 B12R1.145 CC(C)C(C)NC1CCCC1C 269862a_100000211541_100000752053 [0,1,0,1,0,0|2,0,0]=4 19259 B12R1.264 CC(C)C(=O)CCC1CCCC1 1458a_100000210198_100000760354 [0,1,0,1,0,0|0,0,2]=4 19260 B12R1.264 CC(C)C(=O)CCC1CCCC1 1458a_100000211120_100000210206 [0,1,0,1,0,0|0,0,2]=4 19261 B12R1.264 CC(C)C(C)NCC1CCCC1 2230a_100000211541_100000740388 [0,1,0,1,0,0|2,0,0]=4 19262 B12R1.264 CC(C)C(C)NCC1CCCC1 269862a_100000211541_100000746403 [0,1,0,1,0,0|2,0,0]=4 19263 B12R1.264 CC(C)C(C)OCC1CCCC1 7a_100000748068_100000740388 [0,1,0,1,0,0|2,0,0]=4 19264 B12R1.264 CC(C)C(O)CNC1CCCC1 2230a_100000759067_100000179811 [0,1,0,1,0,0|1,0,0]=3 19265 B12R1.264 CC(C)C(O)CNC1CCCC1 270004a_100000759067_100000210133 [0,1,0,1,0,0|1,0,0]=3 19266 B12R1.264 CC(C)C(O)CNC1CCCC1 34a_100000759067_100000179811 [0,1,0,1,0,0|1,0,0]=3 19267 B12R1.264 CC(C)C(O)CNC1CCOC1 2230a_100000759067_100000731011 [0,1,0,1,0,0|2,0,0]=4 19268 B12R1.264 CC(C)C(O)CNC1CCOC1 270004a_100000759067_100000752484 [0,1,0,1,0,0|2,0,0]=4 19269 B12R1.264 CC(C)C(O)CNC1CCOC1 34a_100000759067_100000690089 [0,1,0,1,0,0|2,0,0]=4 19270 B12R1.264 CC(C)C(O)CNC1CCSC1 270004a_100000759067_100000212027 [0,1,0,1,0,0|2,0,0]=4 19271 B12R1.264 CC(C)N(C)CCC1CCCC1 269982a_200000211004_100000760354 [0,1,0,1,0,0|2,0,0]=4 19272 B12R1.264 CC(C)[C@@H](N)COC1CCCC1 34a_100011830312_100000179811 [0,1,0,1,0,0|2,0,0]=4 19273 B12R1.264 CC(F)C(=O)CCC1CCCC1 1458a_100000062450_100000760354 [0,1,0,1,0,0|0,0,2]=4 19274 B12R1.264 C[C@@H](O)C(=O)CCC1CCCC1 1458a_100000717761_100000760354 [0,1,0,1,0,0|0,0,2]=4 19275 B12R1.264 C[C@H](O)C(=O)CCC1CCCC1 1458a_217856618621_100000760354 [0,1,0,1,0,0|0,0,2]=4 19276 B12R1.279 CCCN1CCCC(C1)C(C)O 2230a_100000740858_100000210303 [0,1,0,1,0,0|2,0,0]=4 19277 B12R1.279 CCCN1CCCC(C1)C(C)O 269982a_100000740858_100000210303 [0,1,0,1,0,0|2,0,0]=4 19278 B12R1.279 CCCN1CCCC(C1)C(C)O 34a_100000740858_100000210303 [0,1,0,1,0,0|2,0,0]=4 19279 B12R1.339 CCCCN1CCC(C1(C)C)C 2230a_102516457003_100000210211 [0,1,0,1,0,0|2,0,0]=4 19280 B12R1.339 CCCCN1CCC(C1(C)C)C 269982a_102516457003_100000210211 [0,1,0,1,0,0|2,0,0]=4 19281 B12R1.339 CCCCN1CCC(C1(C)C)C 34a_102516457003_100000210210 [0,1,0,1,0,0|2,0,0]=4 19282 B12R1.385 CC1CN(CCC1O)CCCF 2230a_100011998114_100011934791 [0,1,0,1,0,0|2,0,0]=4 19283 B12R1.385 CC1CN(CCC1O)CCCF 269982a_100011998114_100011934791 [0,1,0,1,0,0|2,0,0]=4 19284 B12R1.385 CC1CN(CCC1O)CCCO 2230a_100011998114_100000230001 [0,1,0,1,0,0|2,0,0]=4 19285 B12R1.385 CC1CN(CCC1O)CCCO 269982a_100011998114_100011215043 [0,1,0,1,0,0|2,0,0]=4 19286 B12R1.385 CCCCN1CCC(C(C1)C)O 2230a_100011998114_100000210211 [0,1,0,1,0,0|1,0,0]=3 19287 B12R1.385 CCCCN1CCC(C(C1)C)O 269982a_100011998114_100000210211 [0,1,0,1,0,0|1,0,0]=3 19288 B12R1.385 CCCCN1CCC(C(C1)O)C 2230a_100000696640_100000210211 [0,1,0,1,0,0|2,0,0]=4 19289 B12R1.385 CCCCN1CCC(C(C1)O)C 269982a_100000696640_100000210211 [0,1,0,1,0,0|2,0,0]=4 19290 B12R1.385 CCCCN1CC[C@H]([C@H](C1)F)O 2230a_200016994291_100000210211 [0,1,0,1,0,0|1,0,0]=3 19291 B12R1.385 CCCCN1CC[C@H]([C@H](C1)F)O 269982a_200016994291_100000210211 [0,1,0,1,0,0|1,0,0]=3 19292 B12R1.385 CCCCN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_100000210211 [0,1,0,1,0,0|1,0,0]=3 19293 B12R1.385 CCCCN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_100000210211 [0,1,0,1,0,0|1,0,0]=3 19294 B12R1.385 CCCNC1CCC(C(C1)C)C 270004a_100020643023_100000759390 [0,1,0,1,0,0|2,0,0]=4 19295 B12R1.385 CCCOC1CCC(C(C1)C)C 34a_100011215933_100000210303 [0,1,0,1,0,0|2,0,0]=4 19296 B12R1.385 CCCOC1CCC(C(C1)C)C 7a_100011215933_100000210303 [0,1,0,1,0,0|2,0,0]=4 19297 B12R1.385 CCOCN1CCC(C(C1)C)O 269982a_100011998114_100000739092 [0,1,0,1,0,0|2,0,0]=4 19298 B12R1.385 CCOCN1CC[C@H]([C@H](C1)F)O 269982a_200016994291_100000739092 [0,1,0,1,0,0|2,0,0]=4 19299 B12R1.385 CCOCN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_100000739092 [0,1,0,1,0,0|2,0,0]=4 19300 B12R1.385 COCCN1CCC(C(C1)C)O 2230a_100011998114_100011201679 [0,1,0,1,0,0|2,0,0]=4 19301 B12R1.385 COCCN1CCC(C(C1)C)O 269982a_100011998114_100000233755 [0,1,0,1,0,0|2,0,0]=4 19302 B12R1.385 COCCN1CC[C@H]([C@H](C1)F)O 2230a_200016994291_100011201679 [0,1,0,1,0,0|2,0,0]=4 19303 B12R1.385 COCCN1CC[C@H]([C@H](C1)F)O 269982a_200016994291_100000233755 [0,1,0,1,0,0|2,0,0]=4 19304 B12R1.385 COCCN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_100011201679 [0,1,0,1,0,0|2,0,0]=4 19305 B12R1.385 COCCN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_100000233755 [0,1,0,1,0,0|2,0,0]=4 19306 B12R1.385 CSCCN1CCC(C(C1)C)O 2230a_100011998114_100000751147 [0,1,0,1,0,0|2,0,0]=4 19307 B12R1.385 CSCCN1CCC(C(C1)C)O 269982a_100011998114_100000212216 [0,1,0,1,0,0|2,0,0]=4 19308 B12R1.385 CSCCN1CC[C@H]([C@H](C1)F)O 2230a_200016994291_100000751147 [0,1,0,1,0,0|2,0,0]=4 19309 B12R1.385 CSCCN1CC[C@H]([C@H](C1)F)O 269982a_200016994291_100000212216 [0,1,0,1,0,0|2,0,0]=4 19310 B12R1.385 CSCCN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_100000751147 [0,1,0,1,0,0|2,0,0]=4 19311 B12R1.385 CSCCN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_100000212216 [0,1,0,1,0,0|2,0,0]=4 19312 B12R1.385 OCCCN1CC[C@H]([C@H](C1)F)O 2230a_200016994291_100000230001 [0,1,0,1,0,0|2,0,0]=4 19313 B12R1.385 OCCCN1CC[C@H]([C@H](C1)F)O 269982a_200016994291_100011215043 [0,1,0,1,0,0|2,0,0]=4 19314 B12R1.385 OCCCN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_100000230001 [0,1,0,1,0,0|2,0,0]=4 19315 B12R1.385 OCCCN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_100011215043 [0,1,0,1,0,0|2,0,0]=4 19316 B12R1.385 O[C@@H]1CCN(C[C@@H]1F)CCCF 2230a_200016994291_100011934791 [0,1,0,1,0,0|2,0,0]=4 19317 B12R1.385 O[C@@H]1CCN(C[C@@H]1F)CCCF 269982a_200016994291_100011934791 [0,1,0,1,0,0|2,0,0]=4 19318 B12R1.385 O[C@@H]1CCN(C[C@@H]1O)CCCF 2230a_100000690696_100011934791 [0,1,0,1,0,0|2,0,0]=4 19319 B12R1.385 O[C@@H]1CCN(C[C@@H]1O)CCCF 269982a_100000690696_100011934791 [0,1,0,1,0,0|2,0,0]=4 19320 B12R1.457 CCCCCN1C[C@@H]([C@H](C1)F)O 2230a_100020590056_100000210326 [0,1,0,1,0,0|1,0,0]=3 19321 B12R1.457 CCCCCN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100000210215 [0,1,0,1,0,0|1,0,0]=3 19322 B12R1.457 CCCCCN1C[C@H]([C@H](C1)F)F 269982a_100103146936_100000210215 [0,1,0,1,0,0|2,0,0]=4 19323 B12R1.457 CCCCCN1C[C@H]([C@H](C1)F)F 34a_100103146936_100000718602 [0,1,0,1,0,0|2,0,0]=4 19324 B12R1.457 CCCCCN1C[C@H]([C@H](C1)O)C 2230a_200015306588_100000210326 [0,1,0,1,0,0|1,0,0]=3 19325 B12R1.457 CCCCCN1C[C@H]([C@H](C1)O)C 269982a_200015306588_100000210215 [0,1,0,1,0,0|1,0,0]=3 19326 B12R1.457 CCCCCN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100000210326 [0,1,0,1,0,0|1,0,0]=3 19327 B12R1.457 CCCCCN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100000210215 [0,1,0,1,0,0|1,0,0]=3 19328 B12R1.457 CCOCCN1C[C@@H]([C@H](C1)F)O 2230a_100020590056_100011215890 [0,1,0,1,0,0|2,0,0]=4 19329 B12R1.457 CCOCCN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100011215890 [0,1,0,1,0,0|2,0,0]=4 19330 B12R1.457 CCOCCN1C[C@H]([C@H](C1)O)C 2230a_200015306588_100011215890 [0,1,0,1,0,0|2,0,0]=4 19331 B12R1.457 CCOCCN1C[C@H]([C@H](C1)O)C 269982a_200015306588_100011215890 [0,1,0,1,0,0|2,0,0]=4 19332 B12R1.457 CCOCCN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100011215890 [0,1,0,1,0,0|2,0,0]=4 19333 B12R1.457 CCOCCN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100011215890 [0,1,0,1,0,0|2,0,0]=4 19334 B12R1.457 CCSCCN1C[C@@H]([C@H](C1)F)O 2230a_100020590056_100000757381 [0,1,0,1,0,0|2,0,0]=4 19335 B12R1.457 CCSCCN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100000757381 [0,1,0,1,0,0|2,0,0]=4 19336 B12R1.457 CCSCCN1C[C@H]([C@H](C1)O)C 2230a_200015306588_100000757381 [0,1,0,1,0,0|2,0,0]=4 19337 B12R1.457 CCSCCN1C[C@H]([C@H](C1)O)C 269982a_200015306588_100000757381 [0,1,0,1,0,0|2,0,0]=4 19338 B12R1.457 CCSCCN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100000757381 [0,1,0,1,0,0|2,0,0]=4 19339 B12R1.457 CCSCCN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100000757381 [0,1,0,1,0,0|2,0,0]=4 19340 B12R1.457 COCCCN1C[C@@H]([C@H](C1)F)O 2230a_100020590056_100000740836 [0,1,0,1,0,0|2,0,0]=4 19341 B12R1.457 COCCCN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100000740836 [0,1,0,1,0,0|2,0,0]=4 19342 B12R1.457 COCCCN1C[C@H]([C@H](C1)O)C 2230a_200015306588_100000740836 [0,1,0,1,0,0|2,0,0]=4 19343 B12R1.457 COCCCN1C[C@H]([C@H](C1)O)C 269982a_200015306588_100000740836 [0,1,0,1,0,0|2,0,0]=4 19344 B12R1.457 COCCCN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100000740836 [0,1,0,1,0,0|2,0,0]=4 19345 B12R1.457 COCCCN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100000740836 [0,1,0,1,0,0|2,0,0]=4 19346 B12R1.457 C[C@@H]1CN(C[C@@H]1O)CCCCF 2230a_200015306588_100000729493 [0,1,0,1,0,0|2,0,0]=4 19347 B12R1.457 C[C@@H]1CN(C[C@@H]1O)CCCCF 269982a_200015306588_100000729493 [0,1,0,1,0,0|2,0,0]=4 19348 B12R1.457 C[C@@H]1CN(C[C@@H]1O)CCCCO 2230a_200015306588_100000210776 [0,1,0,1,0,0|2,0,0]=4 19349 B12R1.457 C[C@@H]1CN(C[C@@H]1O)CCCCO 269982a_200015306588_100000210776 [0,1,0,1,0,0|2,0,0]=4 19350 B12R1.457 OCCCCN1C[C@@H]([C@H](C1)F)O 2230a_100020590056_100000210776 [0,1,0,1,0,0|2,0,0]=4 19351 B12R1.457 OCCCCN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100000210776 [0,1,0,1,0,0|2,0,0]=4 19352 B12R1.457 OCCCCN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100000210776 [0,1,0,1,0,0|2,0,0]=4 19353 B12R1.457 OCCCCN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100000210776 [0,1,0,1,0,0|2,0,0]=4 19354 B12R1.457 O[C@@H]1CN(C[C@@H]1O)CCCCF 2230a_100015207562_100000729493 [0,1,0,1,0,0|2,0,0]=4 19355 B12R1.457 O[C@@H]1CN(C[C@@H]1O)CCCCF 269982a_100015207562_100000729493 [0,1,0,1,0,0|2,0,0]=4 19356 B12R1.457 O[C@H]1CN(C[C@@H]1F)CCCCF 2230a_100020590056_100000729493 [0,1,0,1,0,0|2,0,0]=4 19357 B12R1.457 O[C@H]1CN(C[C@@H]1F)CCCCF 269982a_100020590056_100000729493 [0,1,0,1,0,0|2,0,0]=4 19358 B12R1.1335 CC(C)N1CCCCCCCC1 2230a_100000039187_100000210206 [0,1,0,1,0,0|2,0,0]=4 19359 B12R1.1335 CC(C)N1CCCCCCCC1 269982a_100000039187_100000210206 [0,1,0,1,0,0|2,0,0]=4 19360 B12R1.1335 CC(C)N1CCCCCCCC1 34a_100000039187_100000210206 [0,1,0,1,0,0|2,0,0]=4 19361 B12R1.1335 CN(C)C1CCCCCCCC1 270004a_100102631434_100000038600 [0,1,0,1,0,0|2,0,0]=4 19362 B12R1.1396 CC(C)C(N)CCOC1CCC1 34a_100161115045_100000749161 [0,1,0,1,0,0|2,0,0]=4 19363 B12R1.1396 CC(C)C(O)CNCC1CCC1 2230a_100000759067_100000763275 [0,1,0,1,0,0|1,0,0]=3 19364 B12R1.1396 CC(C)C(O)CNCC1CCC1 269862a_100000759067_100000753134 [0,1,0,1,0,0|1,0,0]=3 19365 B12R1.1396 CC(C)C(O)CNCC1CCC1 34a_100000759067_100000763275 [0,1,0,1,0,0|1,0,0]=3 19366 B12R1.1396 CC(C)C(O)CNCC1CCO1 2230a_100000759067_100000103362 [0,1,0,1,0,0|2,0,0]=4 19367 B12R1.1396 CC(C)C(O)CNCC1CCO1 34a_100000759067_100000103362 [0,1,0,1,0,0|2,0,0]=4 19368 B12R1.1396 CC(C)C(O)CNCC1COC1 2230a_100000759067_100010264016 [0,1,0,1,0,0|2,0,0]=4 19369 B12R1.1396 CC(C)C(O)CNCC1COC1 34a_100000759067_100010264016 [0,1,0,1,0,0|2,0,0]=4 19370 B12R1.1396 CC(C)[C@@H](N)COCC1CCC1 34a_100011830312_100000763275 [0,1,0,1,0,0|2,0,0]=4 19371 B12R1.1397 CC(C)C(N)CCOCC1CC1 34a_100161115045_100000742324 [0,1,0,1,0,0|2,0,0]=4 19372 B12R1.1397 CC(C)C(O)CNCCC1CC1 2230a_100000759067_100000694398 [0,1,0,1,0,0|1,0,0]=3 19373 B12R1.1397 CC(C)C(O)CNCCC1CC1 34a_100000759067_100000694398 [0,1,0,1,0,0|1,0,0]=3 19374 B12R1.1397 CC(C)C(O)CNCCC1CO1 2230a_100000759067_100000732470 [0,1,0,1,0,0|2,0,0]=4 19375 B12R1.1397 CC(C)C(O)CNCCC1CO1 34a_100000759067_100000732470 [0,1,0,1,0,0|2,0,0]=4 19376 B12R1.1397 CC(C)[C@@H](N)COCCC1CC1 34a_100011830312_100000694398 [0,1,0,1,0,0|2,0,0]=4 19377 B12R1.1995 CC1(OC1COCCCCF)C 34a_200010283642_100000729493 [0,1,0,1,0,0|2,0,0]=4 19378 B12R1.1995 CC1(OC1COCCCCF)C 7a_200010283642_100000729493 [0,1,0,1,0,0|2,0,0]=4 19379 B12R1.1995 CC1(OC1COCCCCO)C 34a_200010283642_100011216708 [0,1,0,1,0,0|2,0,0]=4 19380 B12R1.1995 CC1(OC1COCCCCO)C 7a_200010283642_100000210776 [0,1,0,1,0,0|2,0,0]=4 19381 B12R1.1995 CCCCCOCC1CC1(C)C 34a_100000728257_100000718602 [0,1,0,1,0,0|2,0,0]=4 19382 B12R1.1995 CCCCCOCC1CC1(C)C 7a_100000728257_100000210326 [0,1,0,1,0,0|2,0,0]=4 19383 B12R1.1995 CCCCCOCC1OC1(C)C 34a_200010283642_100000718602 [0,1,0,1,0,0|1,0,0]=3 19384 B12R1.1995 CCCCCOCC1OC1(C)C 7a_200010283642_100000210326 [0,1,0,1,0,0|1,0,0]=3 19385 B12R1.1995 CCOCCOCC1OC1(C)C 34a_200010283642_100000210147 [0,1,0,1,0,0|2,0,0]=4 19386 B12R1.1995 CCOCCOCC1OC1(C)C 7a_200010283642_100011215890 [0,1,0,1,0,0|2,0,0]=4 19387 B12R1.1995 CCSCCOCC1OC1(C)C 34a_200010283642_100000757381 [0,1,0,1,0,0|2,0,0]=4 19388 B12R1.1995 CCSCCOCC1OC1(C)C 7a_200010283642_100000757381 [0,1,0,1,0,0|2,0,0]=4 19389 B12R1.1995 COCCCOCC1OC1(C)C 34a_200010283642_100000740836 [0,1,0,1,0,0|2,0,0]=4 19390 B12R1.1995 COCCCOCC1OC1(C)C 7a_200010283642_100000740836 [0,1,0,1,0,0|2,0,0]=4 19391 B12R1.2197 CC(C)C(=O)C1CCCCCC1 1458a_100000210198_100011217769 [0,1,0,1,0,0|0,0,2]=4 19392 B12R1.2197 CC(C)C(=O)C1CCCCCC1 1458a_100000749507_100000210206 [0,1,0,1,0,0|0,0,2]=4 19393 B12R1.2197 CC(C)N(C)C1CCCCCC1 2230a_100015185097_100000210206 [0,1,0,1,0,0|2,0,0]=4 19394 B12R1.2197 CC(C)N(C)C1CCCCCC1 269982a_100000200198_200000210301 [0,1,0,1,0,0|2,0,0]=4 19395 B12R1.2197 CC(C)N(C)C1CCCCCC1 269982a_100015185097_100000210206 [0,1,0,1,0,0|2,0,0]=4 19396 B12R1.2197 CC(C)N(C)C1CCCCCC1 269982a_200000211004_100011217769 [0,1,0,1,0,0|2,0,0]=4 19397 B12R1.2197 CC(C)N(C)C1CCCCCC1 270004a_200000211004_100000210131 [0,1,0,1,0,0|2,0,0]=4 19398 B12R1.2197 CC(C)N(C)C1CCCCCC1 34a_100000200198_200000210301 [0,1,0,1,0,0|2,0,0]=4 19399 B12R1.2197 CC(C)N(C)C1CCCCCC1 34a_100015185097_100000210206 [0,1,0,1,0,0|2,0,0]=4 19400 B12R1.2197 CC(C)N([13CH3])C1CCCCCC1 269982a_100000200198_200025704644 [0,1,0,1,0,0|2,0,0]=4 19401 B12R1.2197 CC(C)N([13CH3])C1CCCCCC1 34a_100000200198_200025704644 [0,1,0,1,0,0|2,0,0]=4 19402 B12R1.2197 CC(F)C(=O)C1CCCCCC1 1458a_100000062450_100011217769 [0,1,0,1,0,0|0,0,2]=4 19403 B12R1.2197 C[C@@H](O)C(=O)C1CCCCCC1 1458a_100000717761_100011217769 [0,1,0,1,0,0|0,0,2]=4 19404 B12R1.2197 C[C@H](O)C(=O)C1CCCCCC1 1458a_217856618621_100011217769 [0,1,0,1,0,0|0,0,2]=4 19405 B12R1.70 CC1(CCC(CC1)NCCO)O 270004a_100000210304_100012184276 [0,1,0,1,0,0|2,0,0]=4 19406 B12R1.70 CC1(CCN(CC1)CCCF)O 2230a_100000690209_100011934791 [0,1,0,1,0,0|2,0,0]=4 19407 B12R1.70 CC1(CCN(CC1)CCCF)O 269982a_100000690209_100011934791 [0,1,0,1,0,0|2,0,0]=4 19408 B12R1.70 CC1(CCN(CC1)CCCO)O 2230a_100000690209_100000230001 [0,1,0,1,0,0|2,0,0]=4 19409 B12R1.70 CC1(CCN(CC1)CCCO)O 269982a_100000690209_100011215043 [0,1,0,1,0,0|2,0,0]=4 19410 B12R1.70 CCCCN1CCC(CC1)(C)C 2230a_100000750138_100000210211 [0,1,0,1,0,0|2,0,0]=4 19411 B12R1.70 CCCCN1CCC(CC1)(C)C 269982a_100000750138_100000210211 [0,1,0,1,0,0|2,0,0]=4 19412 B12R1.70 CCCCN1CCC(CC1)(C)O 2230a_100000690209_100000210211 [0,1,0,1,0,0|1,0,0]=3 19413 B12R1.70 CCCCN1CCC(CC1)(C)O 269982a_100000690209_100000210211 [0,1,0,1,0,0|1,0,0]=3 19414 B12R1.70 CCCCN1CCC(CC1)(F)F 2230a_100000724815_100000210211 [0,1,0,1,0,0|2,0,0]=4 19415 B12R1.70 CCCCN1CCC(CC1)(F)F 269982a_100000724815_100000210211 [0,1,0,1,0,0|2,0,0]=4 19416 B12R1.70 CCCCN1CCC(CC1)(F)F 34a_100000724815_100000210210 [0,1,0,1,0,0|2,0,0]=4 19417 B12R1.70 CCCCN1CCC(CC1)(O)O 269982a_100016987284_100000210211 [0,1,0,1,0,0|1,0,0]=3 19418 B12R1.70 CCCNC1CCC(CC1)(C)C 2230a_100000757809_100000210303 [0,1,0,1,0,0|2,0,0]=4 19419 B12R1.70 CCCNC1CCC(CC1)(C)C 270004a_100020643023_100000061838 [0,1,0,1,0,0|2,0,0]=4 19420 B12R1.70 CCCNC1CCC(CC1)(C)C 34a_100000757809_100000210303 [0,1,0,1,0,0|2,0,0]=4 19421 B12R1.70 CCCNC1CCC(CC1)(C)O 270004a_100020643023_100012184276 [0,1,0,1,0,0|1,0,0]=3 19422 B12R1.70 CCCNC1CCC(CC1)(F)F 2230a_100000694335_100000210303 [0,1,0,1,0,0|2,0,0]=4 19423 B12R1.70 CCCNC1CCC(CC1)(F)F 270004a_100020643023_100000052966 [0,1,0,1,0,0|2,0,0]=4 19424 B12R1.70 CCCNC1CCC(CC1)(F)F 34a_100000694335_100000210303 [0,1,0,1,0,0|2,0,0]=4 19425 B12R1.70 CCCN[C@H]1CC[C@](CC1)(C)O 2230a_202125554758_100000210303 [0,1,0,1,0,0|1,0,0]=3 19426 B12R1.70 CCCN[C@H]1CC[C@](CC1)(C)O 34a_202125554758_100000210303 [0,1,0,1,0,0|1,0,0]=3 19427 B12R1.70 CCCOC1CCC(CC1)(C)C 34a_100000703974_100000210303 [0,1,0,1,0,0|2,0,0]=4 19428 B12R1.70 CCCOC1CCC(CC1)(C)C 7a_100000703974_100000210303 [0,1,0,1,0,0|2,0,0]=4 19429 B12R1.70 CCCOC1CCC(CC1)(F)F 34a_100000098475_100000210303 [0,1,0,1,0,0|2,0,0]=4 19430 B12R1.70 CCCOC1CCC(CC1)(F)F 34a_100000210258_100009865109 [0,1,0,1,0,0|2,0,0]=4 19431 B12R1.70 CCCOC1CCC(CC1)(F)F 7a_100000098475_100000210303 [0,1,0,1,0,0|2,0,0]=4 19432 B12R1.70 CCCSC1CCC(CC1)(F)F 62a_100000210303_100009865109 [0,1,0,1,0,0|2,0,0]=4 19433 B12R1.70 CCCSC1CCC(CC1)(F)F 62a_100009865109_100000210303 [0,1,0,1,0,0|2,0,0]=4 19434 B12R1.70 CCNCC1CCC(CC1)(F)F 2230a_100015525214_100012361406 [0,1,0,1,0,0|2,0,0]=4 19435 B12R1.70 CCNCC1CCC(CC1)(F)F 2230a_100016988479_100000210202 [0,1,0,1,0,0|2,0,0]=4 19436 B12R1.70 CCNCC1CCC(CC1)(F)F 269862a_100015525214_100011361451 [0,1,0,1,0,0|2,0,0]=4 19437 B12R1.70 CCNCC1CCC(CC1)(F)F 34a_100016988479_100000210202 [0,1,0,1,0,0|2,0,0]=4 19438 B12R1.70 CCOCC1CCC(CC1)(F)F 34a_100012179939_100000210202 [0,1,0,1,0,0|2,0,0]=4 19439 B12R1.70 CCOCC1CCC(CC1)(F)F 34a_100121572206_100012361406 [0,1,0,1,0,0|2,0,0]=4 19440 B12R1.70 CCOCC1CCC(CC1)(F)F 7a_100012179939_100000210202 [0,1,0,1,0,0|2,0,0]=4 19441 B12R1.70 CCOCN1CCC(CC1)(C)O 269982a_100000690209_100000739092 [0,1,0,1,0,0|2,0,0]=4 19442 B12R1.70 CCOCN1CCC(CC1)(O)O 269982a_100016987284_100000739092 [0,1,0,1,0,0|2,0,0]=4 19443 B12R1.70 CCSCC1CCC(CC1)(F)F 62a_100000210202_100012361406 [0,1,0,1,0,0|2,0,0]=4 19444 B12R1.70 CCSCC1CCC(CC1)(F)F 62a_100012361406_100000210202 [0,1,0,1,0,0|2,0,0]=4 19445 B12R1.70 CNCCC1CCC(CC1)(F)F 2230a_100102697791_200000210301 [0,1,0,1,0,0|2,0,0]=4 19446 B12R1.70 CNCCC1CCC(CC1)(F)F 34a_100102697791_200000210301 [0,1,0,1,0,0|2,0,0]=4 19447 B12R1.70 COCCN1CCC(CC1)(C)O 2230a_100000690209_100011201679 [0,1,0,1,0,0|2,0,0]=4 19448 B12R1.70 COCCN1CCC(CC1)(C)O 269982a_100000690209_100000233755 [0,1,0,1,0,0|2,0,0]=4 19449 B12R1.70 COCCN1CCC(CC1)(O)O 269982a_100016987284_100000233755 [0,1,0,1,0,0|2,0,0]=4 19450 B12R1.70 COCN[C@H]1CC[C@](CC1)(C)O 2230a_202125554758_100000766300 [0,1,0,1,0,0|2,0,0]=4 19451 B12R1.70 CSCCN1CCC(CC1)(C)O 2230a_100000690209_100000751147 [0,1,0,1,0,0|2,0,0]=4 19452 B12R1.70 CSCCN1CCC(CC1)(C)O 269982a_100000690209_100000212216 [0,1,0,1,0,0|2,0,0]=4 19453 B12R1.70 CSCCN1CCC(CC1)(O)O 269982a_100016987284_100000212216 [0,1,0,1,0,0|2,0,0]=4 19454 B12R1.70 CSCN[C@H]1CC[C@](CC1)(C)O 2230a_202125554758_100011218213 [0,1,0,1,0,0|2,0,0]=4 19455 B12R1.70 CSCN[C@H]1CC[C@](CC1)(C)O 34a_202125554758_100011218213 [0,1,0,1,0,0|2,0,0]=4 19456 B12R1.70 C[C@@]1(CC[C@@H](CC1)NCCF)O 2230a_202125554758_100011217306 [0,1,0,1,0,0|2,0,0]=4 19457 B12R1.70 C[C@@]1(CC[C@@H](CC1)NCCF)O 34a_202125554758_100011217306 [0,1,0,1,0,0|2,0,0]=4 19458 B12R1.70 C[C@@]1(CC[C@@H](CC1)NCCO)O 2230a_202125554758_100000211926 [0,1,0,1,0,0|2,0,0]=4 19459 B12R1.70 C[C@@]1(CC[C@@H](CC1)NCCO)O 34a_202125554758_100000211926 [0,1,0,1,0,0|2,0,0]=4 19460 B12R1.70 OC1(CCN(CC1)CCCF)O 269982a_100016987284_100011934791 [0,1,0,1,0,0|2,0,0]=4 19461 B12R1.70 OCCCN1CCC(CC1)(O)O 269982a_100016987284_100011215043 [0,1,0,1,0,0|2,0,0]=4 19462 B12R1.70 [13CH3]NCCC1CCC(CC1)(F)F 2230a_100102697791_200025704644 [0,1,0,1,0,0|2,0,0]=4 19463 B12R1.70 [13CH3]NCCC1CCC(CC1)(F)F 34a_100102697791_200025704644 [0,1,0,1,0,0|2,0,0]=4 19464 B12R1.194 CCC(C)(C)NC1CCCCC1 270004a_100000211385_100000210434 [0,1,0,1,0,0|2,0,0]=4 19465 B12R1.194 CCC(C)(C)OC1CCCCC1 7a_100000210230_100000210327 [0,1,0,1,0,0|2,0,0]=4 19466 B12R1.194 CCC(C)(C)OC1CCCCC1 7a_100000210231_100000210677 [0,1,0,1,0,0|2,0,0]=4 19467 B12R1.194 CCC(C)(C)SC1CCCCC1 62a_100000032637_100000210327 [0,1,0,1,0,0|2,0,0]=4 19468 B12R1.194 CCC(C)(C)SC1CCCCC1 62a_100000210327_100000032637 [0,1,0,1,0,0|2,0,0]=4 19469 B12R1.195 CCC(C)(C)N1CCCCC1C 269982a_100000211376_100000032637 [0,1,0,1,0,0|2,0,0]=4 19470 B12R1.196 CCC(C)(C)COC1CCCC1 7a_100000765029_100000179811 [0,1,0,1,0,0|2,0,0]=4 19471 B12R1.196 CCC(C)(C)NCC1CCCC1 2230a_100000211385_100000740388 [0,1,0,1,0,0|2,0,0]=4 19472 B12R1.196 CCC(C)(C)OCC1CCCC1 7a_100000210230_100000740388 [0,1,0,1,0,0|2,0,0]=4 19473 B12R1.196 CCC(C)(C)OCC1CCCC1 7a_100000742336_100000210677 [0,1,0,1,0,0|2,0,0]=4 19474 B12R1.196 CCC(C)(C)SCC1CCCC1 62a_100000032637_100000740388 [0,1,0,1,0,0|2,0,0]=4 19475 B12R1.196 CCC(C)(C)SCC1CCCC1 62a_100000740388_100000032637 [0,1,0,1,0,0|2,0,0]=4 19476 B12R1.197 CCC(C)(C)COCCC1CC1 7a_100000765029_100000764125 [0,1,0,1,0,0|2,0,0]=4 19477 B12R1.203 CCC(C)(C)COCC1CCC1 7a_100000765029_100000763275 [0,1,0,1,0,0|2,0,0]=4 19478 B12R1.205 CCC(C)(C)OC1CCCC1C 7a_100011216460_100000210677 [0,1,0,1,0,0|2,0,0]=4 19479 B12R1.528 CC1(CCN(C1)CCCCF)O 2230a_100000718628_100000729493 [0,1,0,1,0,0|2,0,0]=4 19480 B12R1.528 CC1(CCN(C1)CCCCF)O 269982a_100000718628_100000729493 [0,1,0,1,0,0|2,0,0]=4 19481 B12R1.528 CC1(CCN(C1)CCCCO)O 2230a_100000718628_100000210776 [0,1,0,1,0,0|2,0,0]=4 19482 B12R1.528 CC1(CCN(C1)CCCCO)O 269982a_100000718628_100000210776 [0,1,0,1,0,0|2,0,0]=4 19483 B12R1.528 CCCCCN1CCC(C1)(C)C 2230a_100000764714_100000210326 [0,1,0,1,0,0|2,0,0]=4 19484 B12R1.528 CCCCCN1CCC(C1)(C)C 269982a_100000764714_100000210215 [0,1,0,1,0,0|2,0,0]=4 19485 B12R1.528 CCCCCN1CCC(C1)(C)O 2230a_100000718628_100000210326 [0,1,0,1,0,0|1,0,0]=3 19486 B12R1.528 CCCCCN1CCC(C1)(C)O 269982a_100000718628_100000210215 [0,1,0,1,0,0|1,0,0]=3 19487 B12R1.528 CCCCCN1CCC(C1)(F)F 2230a_100000697292_100000210326 [0,1,0,1,0,0|2,0,0]=4 19488 B12R1.528 CCCCCN1CCC(C1)(F)F 269982a_100000697292_100000210215 [0,1,0,1,0,0|2,0,0]=4 19489 B12R1.528 CCCCCN1CCC(C1)(F)F 34a_100000697292_100000718602 [0,1,0,1,0,0|2,0,0]=4 19490 B12R1.528 CCCCNC1CCC(C1)(C)C 270004a_100000102301_100000759959 [0,1,0,1,0,0|2,0,0]=4 19491 B12R1.528 CCCCNC1CCC(C1)(F)F 2230a_100000689000_100000210211 [0,1,0,1,0,0|2,0,0]=4 19492 B12R1.528 CCCCNC1CCC(C1)(F)F 34a_100000689000_100000210210 [0,1,0,1,0,0|2,0,0]=4 19493 B12R1.528 CCOCCN1CCC(C1)(C)O 2230a_100000718628_100011215890 [0,1,0,1,0,0|2,0,0]=4 19494 B12R1.528 CCOCCN1CCC(C1)(C)O 269982a_100000718628_100011215890 [0,1,0,1,0,0|2,0,0]=4 19495 B12R1.528 CCSCCN1CCC(C1)(C)O 2230a_100000718628_100000757381 [0,1,0,1,0,0|2,0,0]=4 19496 B12R1.528 CCSCCN1CCC(C1)(C)O 269982a_100000718628_100000757381 [0,1,0,1,0,0|2,0,0]=4 19497 B12R1.528 COCCCN1CCC(C1)(C)O 2230a_100000718628_100000740836 [0,1,0,1,0,0|2,0,0]=4 19498 B12R1.528 COCCCN1CCC(C1)(C)O 269982a_100000718628_100000740836 [0,1,0,1,0,0|2,0,0]=4 19499 B12R1.696 CCC1CCCN1C(C)(C)CC 269982a_100000754278_100000032637 [0,1,0,1,0,0|2,0,0]=4 19500 B12R1.1142 CC1(CCCN(CC1)CCF)O 2230a_100000723723_100011217306 [0,1,0,1,0,0|2,0,0]=4 19501 B12R1.1142 CC1(CCCN(CC1)CCF)O 269982a_100000723723_100011217306 [0,1,0,1,0,0|2,0,0]=4 19502 B12R1.1142 CC1(CCCN(CC1)CCF)O 34a_100000723723_100011217306 [0,1,0,1,0,0|2,0,0]=4 19503 B12R1.1142 CC1(CCCN(CC1)CCO)O 2230a_100000723723_100000211926 [0,1,0,1,0,0|2,0,0]=4 19504 B12R1.1142 CC1(CCCN(CC1)CCO)O 269982a_100000723723_100000211926 [0,1,0,1,0,0|2,0,0]=4 19505 B12R1.1142 CC1(CCCN(CC1)CCO)O 34a_100000723723_100000211926 [0,1,0,1,0,0|2,0,0]=4 19506 B12R1.1142 CCCN1CCCC(CC1)(C)O 2230a_100000723723_100000210303 [0,1,0,1,0,0|1,0,0]=3 19507 B12R1.1142 CCCN1CCCC(CC1)(C)O 269982a_100000723723_100000210303 [0,1,0,1,0,0|1,0,0]=3 19508 B12R1.1142 CCCN1CCCC(CC1)(C)O 34a_100000723723_100000210303 [0,1,0,1,0,0|1,0,0]=3 19509 B12R1.1142 CCCN1CCCC(CC1)(F)F 2230a_100020621504_100000210303 [0,1,0,1,0,0|2,0,0]=4 19510 B12R1.1142 CCCN1CCCC(CC1)(F)F 269982a_100020621504_100000210303 [0,1,0,1,0,0|2,0,0]=4 19511 B12R1.1142 CCCN1CCCC(CC1)(F)F 34a_100020621504_100000210303 [0,1,0,1,0,0|2,0,0]=4 19512 B12R1.1142 COCN1CCCC(CC1)(C)O 2230a_100000723723_100000766300 [0,1,0,1,0,0|2,0,0]=4 19513 B12R1.1142 COCN1CCCC(CC1)(C)O 269982a_100000723723_100000766300 [0,1,0,1,0,0|2,0,0]=4 19514 B12R1.1142 CSCN1CCCC(CC1)(C)O 2230a_100000723723_100011218213 [0,1,0,1,0,0|2,0,0]=4 19515 B12R1.1142 CSCN1CCCC(CC1)(C)O 269982a_100000723723_100011218213 [0,1,0,1,0,0|2,0,0]=4 19516 B12R1.1142 CSCN1CCCC(CC1)(C)O 34a_100000723723_100011218213 [0,1,0,1,0,0|2,0,0]=4 19517 B12R1.1161 CCC(C)(C)N1CCCCCC1 269982a_100000185865_100000032637 [0,1,0,1,0,0|2,0,0]=4 19518 B12R1.1763 CCCCN1CCC(C1C)(C)C 2230a_100102837566_100000210211 [0,1,0,1,0,0|2,0,0]=4 19519 B12R1.1763 CCCCN1CCC(C1C)(C)C 269982a_100102837566_100000210211 [0,1,0,1,0,0|2,0,0]=4 19520 B12R1.1763 CCCCN1CCC(C1C)(C)C 34a_100102837566_100000210210 [0,1,0,1,0,0|2,0,0]=4 19521 B12R1.2228 CCCN1CCCC(C1)(C)CC 2230a_100000756310_100000210303 [0,1,0,1,0,0|2,0,0]=4 19522 B12R1.2228 CCCN1CCCC(C1)(C)CC 269982a_100000756310_100000210303 [0,1,0,1,0,0|2,0,0]=4 19523 B12R1.3209 CCC1(CN(C1)CCCCF)O 2230a_100015191684_100000729493 [0,1,0,1,0,0|2,0,0]=4 19524 B12R1.3209 CCC1(CN(C1)CCCCF)O 269982a_100015191684_100000729493 [0,1,0,1,0,0|2,0,0]=4 19525 B12R1.3209 CCC1(CN(C1)CCCCO)O 2230a_100015191684_100000210776 [0,1,0,1,0,0|2,0,0]=4 19526 B12R1.3209 CCC1(CN(C1)CCCCO)O 269982a_100015191684_100000210776 [0,1,0,1,0,0|2,0,0]=4 19527 B12R1.3209 CCC1(CN(C1)CCCOC)O 2230a_100015191684_100000740836 [0,1,0,1,0,0|2,0,0]=4 19528 B12R1.3209 CCC1(CN(C1)CCCOC)O 269982a_100015191684_100000740836 [0,1,0,1,0,0|2,0,0]=4 19529 B12R1.3209 CCCCCN1CC(C1)(O)CC 2230a_100015191684_100000210326 [0,1,0,1,0,0|1,0,0]=3 19530 B12R1.3209 CCCCCN1CC(C1)(O)CC 269982a_100015191684_100000210215 [0,1,0,1,0,0|1,0,0]=3 19531 B12R1.3209 CCOCCN1CC(C1)(O)CC 2230a_100015191684_100011215890 [0,1,0,1,0,0|2,0,0]=4 19532 B12R1.3209 CCOCCN1CC(C1)(O)CC 269982a_100015191684_100011215890 [0,1,0,1,0,0|2,0,0]=4 19533 B12R1.3209 CCSCCN1CC(C1)(O)CC 2230a_100015191684_100000757381 [0,1,0,1,0,0|2,0,0]=4 19534 B12R1.3209 CCSCCN1CC(C1)(O)CC 269982a_100015191684_100000757381 [0,1,0,1,0,0|2,0,0]=4 19535 B12R1.3670 C#CC1(CC1)NCCCCCC 34a_100020639468_100000210314 [0,1,0,1,0,0|2,0,0]=4 19536 B12R1.3670 CCC1(CO1)CNCCCCO 34a_100000750430_200000139556 [0,1,0,1,0,0|2,0,0]=4 19537 B12R1.3670 CCC1(CO1)CNCCCOC 34a_100150723488_200000139556 [0,1,0,1,0,0|2,0,0]=4 19538 B12R1.3670 CCC1(CO1)COCCCCBr 34a_100011216708_200000139556 [0,1,0,1,0,0|2,0,0]=4 19539 B12R1.3670 CCC1(CO1)COCCCCCl 34a_100000210776_200000139556 [0,1,0,1,0,0|2,0,0]=4 19540 B12R1.3670 CCC1(CO1)COCCCCCl 7a_100000210776_200000139556 [0,1,0,1,0,0|2,0,0]=4 19541 B12R1.3670 CCC1(CO1)COCCCCF 34a_100011995726_200000139556 [0,1,0,1,0,0|2,0,0]=4 19542 B12R1.3670 CCC1(CO1)COCCCCF 7a_100011995726_200000139556 [0,1,0,1,0,0|2,0,0]=4 19543 B12R1.3670 CCC1(CO1)COCCCCI 34a_200012148704_200000139556 [0,1,0,1,0,0|2,0,0]=4 19544 B12R1.3670 CCC1(CO1)COCCCCN 34a_100000750430_200000139556 [0,1,0,1,0,0|2,0,0]=4 19545 B12R1.3670 CCC1(CO1)COCCCNC 34a_100000213112_200000139556 [0,1,0,1,0,0|2,0,0]=4 19546 B12R1.3670 CCC1(CO1)COCCCOC 34a_100000740835_200000139556 [0,1,0,1,0,0|2,0,0]=4 19547 B12R1.3670 CCC1(CO1)COCCCSC 34a_100000690336_200000139556 [0,1,0,1,0,0|2,0,0]=4 19548 B12R1.3670 CCC1(CO1)COCCCSC 7a_100000690336_200000139556 [0,1,0,1,0,0|2,0,0]=4 19549 B12R1.3670 CCC1(CO1)CSCCCCF 62a_100000729493_200000139556 [0,1,0,1,0,0|2,0,0]=4 19550 B12R1.3670 CCC1(CO1)CSCCCCF 62a_200000139556_100000729493 [0,1,0,1,0,0|2,0,0]=4 19551 B12R1.3670 CCC1(CO1)CSCCCCO 62a_100000210776_200000139556 [0,1,0,1,0,0|2,0,0]=4 19552 B12R1.3670 CCC1(CO1)CSCCCCO 62a_200000139556_100000210776 [0,1,0,1,0,0|2,0,0]=4 19553 B12R1.3670 CCC1(CO1)CSCCCOC 62a_100000709357_200000139556 [0,1,0,1,0,0|2,0,0]=4 19554 B12R1.3670 CCC1(CO1)CSCCCOC 62a_200000139556_100000709357 [0,1,0,1,0,0|2,0,0]=4 19555 B12R1.3670 CCCCCCNC1(CC1)C#N 2230a_100000756336_100000210314 [0,1,0,1,0,0|2,0,0]=4 19556 B12R1.3670 CCCCCCNC1(CC1)C#N 34a_100000756336_100000210314 [0,1,0,1,0,0|2,0,0]=4 19557 B12R1.3670 CCCCCCNC1(CC1)CC 2230a_100000732774_100000210314 [0,1,0,1,0,0|2,0,0]=4 19558 B12R1.3670 CCCCCCNC1(CC1)CF 2230a_100000054953_100000210314 [0,1,0,1,0,0|2,0,0]=4 19559 B12R1.3670 CCCCCCNC1(CC1)CF 34a_100000054953_100000210314 [0,1,0,1,0,0|2,0,0]=4 19560 B12R1.3670 CCCCCCOC1(CC1)C#N 34a_100000210259_100009889376 [0,1,0,1,0,0|2,0,0]=4 19561 B12R1.3670 CCCCCCSC1(CC1)C#N 62a_100000210314_100009889376 [0,1,0,1,0,0|2,0,0]=4 19562 B12R1.3670 CCCCCCSC1(CC1)C#N 62a_100009889376_100000210757 [0,1,0,1,0,0|2,0,0]=4 19563 B12R1.3670 CCCCCNCC1(CC1)C#N 2230a_100000209983_100000695377 [0,1,0,1,0,0|2,0,0]=4 19564 B12R1.3670 CCCCCNCC1(CC1)C#N 2230a_100000725504_100000210326 [0,1,0,1,0,0|2,0,0]=4 19565 B12R1.3670 CCCCCNCC1(CC1)CO 2230a_100000757901_100000210326 [0,1,0,1,0,0|1,0,0]=3 19566 B12R1.3670 CCCCCOCC1(CC1)C#N 34a_100000210253_100000695377 [0,1,0,1,0,0|2,0,0]=4 19567 B12R1.3670 CCCCCOCC1(CC1)C#N 34a_100000688837_100000718602 [0,1,0,1,0,0|2,0,0]=4 19568 B12R1.3670 CCCCCOCC1(CC1)C#N 7a_100000210253_100000695377 [0,1,0,1,0,0|2,0,0]=4 19569 B12R1.3670 CCCCCOCC1(CC1)C#N 7a_100000688837_100000210326 [0,1,0,1,0,0|2,0,0]=4 19570 B12R1.3670 CCCCCOCC1(CO1)CC 34a_100000210253_200000139556 [0,1,0,1,0,0|1,0,0]=3 19571 B12R1.3670 CCCCCOCC1(CO1)CC 7a_100000210253_200000139556 [0,1,0,1,0,0|1,0,0]=3 19572 B12R1.3670 CCCCCSCC1(CC1)C#N 62a_100000210326_100000695377 [0,1,0,1,0,0|2,0,0]=4 19573 B12R1.3670 CCCCCSCC1(CC1)C#N 62a_100000695377_100000210326 [0,1,0,1,0,0|2,0,0]=4 19574 B12R1.3670 CCCCCSCC1(CO1)CC 62a_100000210326_200000139556 [0,1,0,1,0,0|1,0,0]=3 19575 B12R1.3670 CCCCCSCC1(CO1)CC 62a_200000139556_100000210326 [0,1,0,1,0,0|1,0,0]=3 19576 B12R1.3670 CCOCCNCC1(CC1)CO 2230a_100000757901_100011215890 [0,1,0,1,0,0|2,0,0]=4 19577 B12R1.3670 CCOCCNCC1(CO1)CC 34a_102516460346_200000139556 [0,1,0,1,0,0|2,0,0]=4 19578 B12R1.3670 CCOCCOCC1(CO1)CC 34a_100000210136_200000139556 [0,1,0,1,0,0|2,0,0]=4 19579 B12R1.3670 CCOCCOCC1(CO1)CC 7a_100000210136_200000139556 [0,1,0,1,0,0|2,0,0]=4 19580 B12R1.3670 CCOCCSCC1(CO1)CC 62a_100000210147_200000139556 [0,1,0,1,0,0|2,0,0]=4 19581 B12R1.3670 CCOCCSCC1(CO1)CC 62a_200000139556_100011215890 [0,1,0,1,0,0|2,0,0]=4 19582 B12R1.3670 CCSCCNCC1(CC1)CO 2230a_100000757901_100000757381 [0,1,0,1,0,0|2,0,0]=4 19583 B12R1.3670 CCSCCOCC1(CO1)CC 34a_100000212035_200000139556 [0,1,0,1,0,0|2,0,0]=4 19584 B12R1.3670 CCSCCOCC1(CO1)CC 7a_100000212035_200000139556 [0,1,0,1,0,0|2,0,0]=4 19585 B12R1.3670 CCSCCSCC1(CO1)CC 62a_100000757381_200000139556 [0,1,0,1,0,0|2,0,0]=4 19586 B12R1.3670 CCSCCSCC1(CO1)CC 62a_200000139556_100000757381 [0,1,0,1,0,0|2,0,0]=4 19587 B12R1.3670 COCCCNCC1(CC1)CO 2230a_100000757901_100000740836 [0,1,0,1,0,0|2,0,0]=4 19588 B12R1.3670 OCC1(CC1)CNCCCCF 2230a_100000757901_100000729493 [0,1,0,1,0,0|2,0,0]=4 19589 B12R1.3670 OCCCCNCC1(CC1)CO 2230a_100000757901_100000210776 [0,1,0,1,0,0|2,0,0]=4 19590 B12R1.26 CC1CCC(C1)OCC(O)CO 34a_100000698185_100011219619 [0,1,0,1,0,0|2,0,0]=4 19591 B12R1.26 CC1CCC(C1)OC[C@@H](O)CF 34a_100000698185_100015614560 [0,1,0,1,0,0|2,0,0]=4 19592 B12R1.26 CC1CCC(C1)OC[C@@H](O)CO 34a_100000698185_100009815848 [0,1,0,1,0,0|2,0,0]=4 19593 B12R1.26 CCC(C)CNC1CCC(C1)C 270004a_100020588543_100011215218 [0,1,0,1,0,0|2,0,0]=4 19594 B12R1.26 CCC(C)CNC1CCC(C1)O 270004a_100020588543_100012614533 [0,1,0,1,0,0|1,0,0]=3 19595 B12R1.26 CCC(C)CN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000748023 [0,1,0,1,0,0|1,0,0]=3 19596 B12R1.26 CCC(C)CN[C@H]1CC[C@H](C1)O 270004a_100015195300_100000243153 [0,1,0,1,0,0|1,0,0]=3 19597 B12R1.26 CCC(C)COC1CCC(C1)C 34a_100000698185_100000748023 [0,1,0,1,0,0|2,0,0]=4 19598 B12R1.26 CCC(O)CNC1CCC(C1)C 270004a_100011218483_100011215218 [0,1,0,1,0,0|1,0,0]=3 19599 B12R1.26 CCC(O)CNC1CCC(C1)O 270004a_100011218483_100012614533 [0,1,0,1,0,0|1,0,0]=3 19600 B12R1.26 CCC(O)CN[C@H]1CC[C@H](C1)O 2230a_100015195300_100011218378 [0,1,0,1,0,0|1,0,0]=3 19601 B12R1.26 CCC(O)COC1CCC(=O)C1 34a_100012614533_100011218378 [0,1,0,1,0,0|1,0,1]=4 19602 B12R1.26 CCC(O)COC1CCC(C1)C 34a_100000698185_100011218378 [0,1,0,1,0,0|1,0,0]=3 19603 B12R1.26 CCC(O)CSC1CCN(C1)C 62a_100011218378_200012183744 [0,1,0,1,0,0|2,0,0]=4 19604 B12R1.26 CC[C@H](C)CN[C@H]1CC[C@H](C1)O 2230a_100015195300_100009816398 [0,1,0,1,0,0|1,0,0]=3 19605 B12R1.26 CC[C@H](C)COC1CCC(C1)C 34a_100000698185_100009816398 [0,1,0,1,0,0|2,0,0]=4 19606 B12R1.26 CO[C@H](C)CNC1CCC(C1)O 270004a_100020591295_100012614533 [0,1,0,1,0,0|2,0,0]=4 19607 B12R1.26 C[C@@H](CO)CN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000059175 [0,1,0,1,0,0|2,0,0]=4 19608 B12R1.26 OCC(O)CN[C@H]1CC[C@H](C1)O 2230a_100015195300_100011219619 [0,1,0,1,0,0|2,0,0]=4 19609 B12R1.26 OC[C@H](F)CNC1CCC(C1)O 270004a_100015665980_100012614533 [0,1,0,1,0,0|2,0,0]=4 19610 B12R1.26 OC[C@H](O)CN[C@H]1CC[C@H](C1)O 2230a_100015195300_100009815848 [0,1,0,1,0,0|2,0,0]=4 19611 B12R1.26 O[C@@H]1CC[C@@H](C1)NC[C@@H](O)CF 2230a_100015195300_100015614560 [0,1,0,1,0,0|2,0,0]=4 19612 B12R1.29 CCCCC(=O)C1CCC(C1)O 1458a_100000688591_100000210211 [0,1,0,1,0,0|0,0,1]=3 19613 B12R1.29 CCCCC(=O)N1CCC(C1)O 240690a_100011215560_100000210183 [0,1,0,1,0,0|1,0,1]=4 19614 B12R1.29 CCCCC(=O)N1CCC(C1)O 527a_100011215560_100000210183 [0,1,0,1,0,0|1,0,1]=4 19615 B12R1.29 CCCCC(C)N1CCC(C1)O 2230a_100011215560_200011215066 [0,1,0,1,0,0|1,0,0]=3 19616 B12R1.29 CCCCC(C)N1CCC(C1)O 269982a_100011215560_200011215066 [0,1,0,1,0,0|1,0,0]=3 19617 B12R1.29 CCCCC(C)N1CCC(C1)O 270004a_100011215560_100000210087 [0,1,0,1,0,0|1,0,0]=3 19618 B12R1.29 CCCCC(C)N1CC[C@@H](C1)F 2230a_100015203821_200011215066 [0,1,0,1,0,0|2,0,0]=4 19619 B12R1.29 CCCCC(C)N1CC[C@@H](C1)F 269982a_100015203821_200011215066 [0,1,0,1,0,0|2,0,0]=4 19620 B12R1.29 CCCCC(C)N1CC[C@@H](C1)F 270004a_100015203821_100000210087 [0,1,0,1,0,0|2,0,0]=4 19621 B12R1.29 CCCCC(C)N1CC[C@@H](C1)F 34a_100015203821_200011215066 [0,1,0,1,0,0|2,0,0]=4 19622 B12R1.29 CCCCC(C)N1CC[C@H](C1)C 2230a_100016987628_200011215066 [0,1,0,1,0,0|2,0,0]=4 19623 B12R1.29 CCCCC(C)N1CC[C@H](C1)C 269982a_100016987628_200011215066 [0,1,0,1,0,0|2,0,0]=4 19624 B12R1.29 CCCCC(C)N1CC[C@H](C1)C 270004a_100016987628_100000210087 [0,1,0,1,0,0|2,0,0]=4 19625 B12R1.29 CCCCC(C)N1CC[C@H](C1)C 34a_100016987628_200011215066 [0,1,0,1,0,0|2,0,0]=4 19626 B12R1.29 CCCCN(C)C1CCC(C1)C 270004a_100000207549_100011215218 [0,1,0,1,0,0|2,0,0]=4 19627 B12R1.29 CCCCN(C)C1CCC(C1)O 270004a_100000207549_100012614533 [0,1,0,1,0,0|1,0,0]=3 19628 B12R1.29 CCCNC(=O)C1CCC(C1)O 1626a_100020643023_100000688591 [0,1,0,1,0,0|1,0,1]=4 19629 B12R1.29 CCCNC(=O)C1CCC(C1)O 240690a_100020643023_100000688591 [0,1,0,1,0,0|1,0,1]=4 19630 B12R1.29 CCSCC(C)N1CCC(C1)O 270004a_100011215560_200011216171 [0,1,0,1,0,0|2,0,0]=4 19631 B12R1.29 CN(CCCO)C1CCC(C1)O 270004a_100000213112_100012614533 [0,1,0,1,0,0|2,0,0]=4 19632 B12R1.29 COCCC(=O)C1CCC(C1)O 1458a_100000688591_100000233755 [0,1,0,1,0,0|1,0,1]=4 19633 B12R1.29 COCCC(C)N1CCC(C1)O 270004a_100011215560_100000742357 [0,1,0,1,0,0|2,0,0]=4 19634 B12R1.29 COCCN(C)C1CCC(C1)O 270004a_100000743101_100012614533 [0,1,0,1,0,0|2,0,0]=4 19635 B12R1.29 CSCCC(=O)C1CCC(C1)O 1458a_100000688591_100000751147 [0,1,0,1,0,0|1,0,1]=4 19636 B12R1.29 CSCCC(C)N1CCC(C1)O 270004a_100011215560_100011217047 [0,1,0,1,0,0|2,0,0]=4 19637 B12R1.29 CSCCN(C)C1CCC(C1)O 270004a_100000686725_100012614533 [0,1,0,1,0,0|2,0,0]=4 19638 B12R1.29 O=C(CCCF)C1CCC(C1)O 1458a_100000688591_100011934791 [0,1,0,1,0,0|1,0,1]=4 19639 B12R1.29 O=C(CCCO)C1CCC(C1)O 1458a_100000688591_100011215043 [0,1,0,1,0,0|1,0,1]=4 19640 B12R1.71 C#CC1CCC(CC1)NCCC 270004a_100020643023_100000722563 [0,1,0,1,0,0|2,0,0]=4 19641 B12R1.71 C#CC1CCN(CC1)CCCC 2230a_100016991398_100000210211 [0,1,0,1,0,0|2,0,0]=4 19642 B12R1.71 C#CC1CCN(CC1)CCCC 269982a_100016991398_100000210211 [0,1,0,1,0,0|2,0,0]=4 19643 B12R1.71 C#CC1CCN(CC1)CCCC 34a_100016991398_100000210210 [0,1,0,1,0,0|2,0,0]=4 19644 B12R1.71 CCCCC1CCC(CC1)NC 2230a_100000745173_200000210301 [0,1,0,1,0,0|1,0,0]=3 19645 B12R1.71 CCCCC1CCC(CC1)NC 34a_100000745173_200000210301 [0,1,0,1,0,0|1,0,0]=3 19646 B12R1.71 CCCCC1CCC(CC1)N[13CH3] 2230a_100000745173_200025704644 [0,1,0,1,0,0|1,0,0]=3 19647 B12R1.71 CCCCC1CCC(CC1)N[13CH3] 34a_100000745173_200025704644 [0,1,0,1,0,0|1,0,0]=3 19648 B12R1.71 CCCCC1CCC(CC1)OC 34a_200000035503_200000210301 [0,1,0,1,0,0|0,0,0]=2 19649 B12R1.71 CCCCC1CCC(CC1)OC 7a_200000035503_200000210301 [0,1,0,1,0,0|0,0,0]=2 19650 B12R1.71 CCCCC1CCC(CC1)O[13CH3] 34a_200000035503_200025704644 [0,1,0,1,0,0|0,0,0]=2 19651 B12R1.71 CCCCC1CCC(CC1)O[13CH3] 7a_200000035503_200025704644 [0,1,0,1,0,0|0,0,0]=2 19652 B12R1.71 CCCCC1CCN(CC1)CC 2230a_200016987432_100000210202 [0,1,0,1,0,0|2,0,0]=4 19653 B12R1.71 CCCCC1CCN(CC1)CC 269982a_200016987432_100000204670 [0,1,0,1,0,0|2,0,0]=4 19654 B12R1.71 CCCCC1CCN(CC1)CC 34a_200016987432_100000210202 [0,1,0,1,0,0|2,0,0]=4 19655 B12R1.71 CCCCC1CCN(CC1)CF 269982a_200016987432_100015361967 [0,1,0,1,0,0|2,0,0]=4 19656 B12R1.71 CCCCC1CCN(CC1)CF 34a_200016987432_100015361967 [0,1,0,1,0,0|2,0,0]=4 19657 B12R1.71 CCCCN1CCC(CC1)C#N 2230a_100000747632_100000210211 [0,1,0,1,0,0|2,0,0]=4 19658 B12R1.71 CCCCN1CCC(CC1)CC 2230a_100000754474_100000210211 [0,1,0,1,0,0|2,0,0]=4 19659 B12R1.71 CCCCN1CCC(CC1)CC 269982a_100000754474_100000210211 [0,1,0,1,0,0|2,0,0]=4 19660 B12R1.71 CCCCN1CCC(CC1)CC 34a_100000754474_100000210210 [0,1,0,1,0,0|2,0,0]=4 19661 B12R1.71 CCCCN1CCC(CC1)CF 2230a_100015203933_100000210211 [0,1,0,1,0,0|2,0,0]=4 19662 B12R1.71 CCCCN1CCC(CC1)CF 269982a_100015203933_100000210211 [0,1,0,1,0,0|2,0,0]=4 19663 B12R1.71 CCCCN1CCC(CC1)CF 34a_100015203933_100000210210 [0,1,0,1,0,0|2,0,0]=4 19664 B12R1.71 CCCCN1CCC(CC1)CO 2230a_100000738675_100000210211 [0,1,0,1,0,0|1,0,0]=3 19665 B12R1.71 CCCCN1CCC(CC1)CO 269982a_100000738675_100000210211 [0,1,0,1,0,0|1,0,0]=3 19666 B12R1.71 CCCCN1CCC(CC1)CO 34a_100000738675_100000210210 [0,1,0,1,0,0|1,0,0]=3 19667 B12R1.71 CCCCN1CCC(CC1)NC 2230a_100000746687_200000210301 [0,1,0,1,0,0|2,0,0]=4 19668 B12R1.71 CCCCN1CCC(CC1)NC 270004a_106832991635_100000228144 [0,1,0,1,0,0|2,0,0]=4 19669 B12R1.71 CCCCN1CCC(CC1)N[13CH3] 2230a_100000746687_200025704644 [0,1,0,1,0,0|2,0,0]=4 19670 B12R1.71 CCCCN1CCC(CC1)OC 2230a_100000234800_100000210211 [0,1,0,1,0,0|1,0,0]=3 19671 B12R1.71 CCCCN1CCC(CC1)OC 269982a_100000234800_100000210211 [0,1,0,1,0,0|1,0,0]=3 19672 B12R1.71 CCCCN1CCC(CC1)OC 34a_100000234800_100000210210 [0,1,0,1,0,0|1,0,0]=3 19673 B12R1.71 CCCCN1CCC(CC1)SC 2230a_100015202541_100000210211 [0,1,0,1,0,0|1,1,0]=4 19674 B12R1.71 CCCCN1CCC(CC1)SC 269982a_100015202541_100000210211 [0,1,0,1,0,0|1,1,0]=4 19675 B12R1.71 CCCCN1CCC(CC1)SC 34a_100015202541_100000210210 [0,1,0,1,0,0|1,1,0]=4 19676 B12R1.71 CCCNC1CCC(CC1)C#N 2230a_100102422146_100000210303 [0,1,0,1,0,0|2,0,0]=4 19677 B12R1.71 CCCNC1CCC(CC1)C#N 270004a_100020643023_100009880307 [0,1,0,1,0,0|2,0,0]=4 19678 B12R1.71 CCCNC1CCC(CC1)C#N 34a_100102422146_100000210303 [0,1,0,1,0,0|2,0,0]=4 19679 B12R1.71 CCCNC1CCC(CC1)CC 2230a_100011194317_100000210303 [0,1,0,1,0,0|2,0,0]=4 19680 B12R1.71 CCCNC1CCC(CC1)CC 270004a_100020643023_100000210631 [0,1,0,1,0,0|2,0,0]=4 19681 B12R1.71 CCCNC1CCC(CC1)CC 34a_100011194317_100000210303 [0,1,0,1,0,0|2,0,0]=4 19682 B12R1.71 CCCNC1CCC(CC1)CO 270004a_100020643023_100000062911 [0,1,0,1,0,0|1,0,0]=3 19683 B12R1.71 CCCNC1CCC(CC1)NC 270004a_100020643023_200016988011 [0,1,0,1,0,0|2,0,0]=4 19684 B12R1.71 CCCNC1CCC(CC1)OC 270004a_100020643023_100000747084 [0,1,0,1,0,0|1,0,0]=3 19685 B12R1.71 CCCNC1CCC(CC1)OC 34a_100015205214_100000210303 [0,1,0,1,0,0|1,0,0]=3 19686 B12R1.71 CCCN[C@H]1CC[C@@H](CC1)CO 34a_100009821084_100000210303 [0,1,0,1,0,0|1,0,0]=3 19687 B12R1.71 CCCOC1CCC(CC1)C#N 34a_100009859913_100000210303 [0,1,0,1,0,0|2,0,0]=4 19688 B12R1.71 CCCOC1CCC(CC1)C#N 7a_100009859913_100000210303 [0,1,0,1,0,0|2,0,0]=4 19689 B12R1.71 CCCOC1CCC(CC1)CC 34a_100011215326_100000210303 [0,1,0,1,0,0|2,0,0]=4 19690 B12R1.71 CCCOC1CCC(CC1)CC 7a_100011215326_100000210303 [0,1,0,1,0,0|2,0,0]=4 19691 B12R1.71 CCCOC1CCC(CC1)OC 34a_100011581665_100000210303 [0,1,0,1,0,0|1,0,0]=3 19692 B12R1.71 CCCOC1CCC(CC1)OC 7a_100011581665_100000210303 [0,1,0,1,0,0|1,0,0]=3 19693 B12R1.71 CCCO[C@H]1CC[C@H](CC1)NC 34a_100020636401_100000210303 [0,1,0,1,0,0|2,0,0]=4 19694 B12R1.71 CCNCC1CCC(CC1)OC 2230a_100015525214_100013032858 [0,1,0,1,0,0|1,0,0]=3 19695 B12R1.71 CCNC[C@H]1CC[C@@H](CC1)CO 2230a_100121570882_100000210202 [0,1,0,1,0,0|1,0,0]=3 19696 B12R1.71 CCNC[C@H]1CC[C@@H](CC1)CO 34a_100121570882_100000210202 [0,1,0,1,0,0|1,0,0]=3 19697 B12R1.71 CCOCC1CCC(CC1)OC 34a_100121572206_100013032858 [0,1,0,1,0,0|1,0,0]=3 19698 B12R1.71 CCOCN1CCC(CC1)CO 269982a_100000738675_100000739092 [0,1,0,1,0,0|2,0,0]=4 19699 B12R1.71 CCOCN1CCC(CC1)OC 269982a_100000234800_100000739092 [0,1,0,1,0,0|2,0,0]=4 19700 B12R1.71 CCOC[C@H]1CC[C@@H](CC1)CN 34a_100121570882_100000210202 [0,1,0,1,0,0|2,0,0]=4 19701 B12R1.71 CCOC[C@H]1CC[C@@H](CC1)NC 34a_100009831571_100000210202 [0,1,0,1,0,0|2,0,0]=4 19702 B12R1.71 CCSCC1CCC(CC1)OC 62a_100000210202_100013032858 [0,1,0,1,0,0|1,0,0]=3 19703 B12R1.71 CCSCC1CCC(CC1)OC 62a_100013032858_100000210202 [0,1,0,1,0,0|1,0,0]=3 19704 B12R1.71 CNCCC1CCC(CC1)OC 34a_100011998350_200000210301 [0,1,0,1,0,0|1,0,0]=3 19705 B12R1.71 COC1CCC(CC1)CCN[13CH3] 34a_100011998350_200025704644 [0,1,0,1,0,0|1,0,0]=3 19706 B12R1.71 COC1CCC(CC1)CSCF 62a_100013032858_100015361967 [0,1,0,1,0,0|2,0,0]=4 19707 B12R1.71 COC1CCC(CC1)CSCF 62a_100015361967_100013032858 [0,1,0,1,0,0|2,0,0]=4 19708 B12R1.71 COC1CCC(CC1)NCCF 34a_100015205214_100011217306 [0,1,0,1,0,0|2,0,0]=4 19709 B12R1.71 COC1CCC(CC1)NCCO 270004a_100000210304_100000747084 [0,1,0,1,0,0|2,0,0]=4 19710 B12R1.71 COC1CCC(CC1)NCCO 34a_100015205214_100000211926 [0,1,0,1,0,0|2,0,0]=4 19711 B12R1.71 COC1CCC(CC1)NCSC 34a_100015205214_100011218213 [0,1,0,1,0,0|2,0,0]=4 19712 B12R1.71 COC1CCC(CC1)OCCF 34a_100011581665_100011217306 [0,1,0,1,0,0|2,0,0]=4 19713 B12R1.71 COC1CCC(CC1)OCCF 7a_100011581665_100011217306 [0,1,0,1,0,0|2,0,0]=4 19714 B12R1.71 COC1CCC(CC1)OCCO 34a_100011581665_100000211926 [0,1,0,1,0,0|2,0,0]=4 19715 B12R1.71 COC1CCC(CC1)OCCO 7a_100011581665_100000211926 [0,1,0,1,0,0|2,0,0]=4 19716 B12R1.71 COC1CCC(CC1)OCSC 34a_100011581665_100011218213 [0,1,0,1,0,0|2,0,0]=4 19717 B12R1.71 COC1CCN(CC1)CCCF 2230a_100000234800_100011934791 [0,1,0,1,0,0|2,0,0]=4 19718 B12R1.71 COC1CCN(CC1)CCCF 269982a_100000234800_100011934791 [0,1,0,1,0,0|2,0,0]=4 19719 B12R1.71 COC1CCN(CC1)CCCF 34a_100000234800_100011934791 [0,1,0,1,0,0|2,0,0]=4 19720 B12R1.71 COC1CCN(CC1)CCCO 2230a_100000234800_100000230001 [0,1,0,1,0,0|2,0,0]=4 19721 B12R1.71 COC1CCN(CC1)CCCO 269982a_100000234800_100011215043 [0,1,0,1,0,0|2,0,0]=4 19722 B12R1.71 COC1CCN(CC1)CCCO 34a_100000234800_100000230001 [0,1,0,1,0,0|2,0,0]=4 19723 B12R1.71 COC1CCN(CC1)CCSC 2230a_100000234800_100000751147 [0,1,0,1,0,0|2,0,0]=4 19724 B12R1.71 COC1CCN(CC1)CCSC 269982a_100000234800_100000212216 [0,1,0,1,0,0|2,0,0]=4 19725 B12R1.71 COC1CCN(CC1)CCSC 34a_100000234800_100000212216 [0,1,0,1,0,0|2,0,0]=4 19726 B12R1.71 COCCN1CCC(CC1)CO 2230a_100000738675_100011201679 [0,1,0,1,0,0|2,0,0]=4 19727 B12R1.71 COCCN1CCC(CC1)CO 269982a_100000738675_100000233755 [0,1,0,1,0,0|2,0,0]=4 19728 B12R1.71 COCCN1CCC(CC1)CO 34a_100000738675_100011201679 [0,1,0,1,0,0|2,0,0]=4 19729 B12R1.71 COCCN1CCC(CC1)OC 2230a_100000234800_100011201679 [0,1,0,1,0,0|2,0,0]=4 19730 B12R1.71 COCCN1CCC(CC1)OC 269982a_100000234800_100000233755 [0,1,0,1,0,0|2,0,0]=4 19731 B12R1.71 COCCN1CCC(CC1)OC 34a_100000234800_100011201679 [0,1,0,1,0,0|2,0,0]=4 19732 B12R1.71 CSCCN1CCC(CC1)CO 2230a_100000738675_100000751147 [0,1,0,1,0,0|2,0,0]=4 19733 B12R1.71 CSCCN1CCC(CC1)CO 269982a_100000738675_100000212216 [0,1,0,1,0,0|2,0,0]=4 19734 B12R1.71 CSCCN1CCC(CC1)CO 34a_100000738675_100000212216 [0,1,0,1,0,0|2,0,0]=4 19735 B12R1.71 CSCN[C@H]1CC[C@@H](CC1)CO 34a_100009821084_100011218213 [0,1,0,1,0,0|2,0,0]=4 19736 B12R1.71 OCC1CCN(CC1)CCCF 2230a_100000738675_100011934791 [0,1,0,1,0,0|2,0,0]=4 19737 B12R1.71 OCC1CCN(CC1)CCCF 269982a_100000738675_100011934791 [0,1,0,1,0,0|2,0,0]=4 19738 B12R1.71 OCC1CCN(CC1)CCCF 34a_100000738675_100011934791 [0,1,0,1,0,0|2,0,0]=4 19739 B12R1.71 OCCCN1CCC(CC1)CO 2230a_100000738675_100000230001 [0,1,0,1,0,0|2,0,0]=4 19740 B12R1.71 OCCCN1CCC(CC1)CO 269982a_100000738675_100011215043 [0,1,0,1,0,0|2,0,0]=4 19741 B12R1.71 OCCCN1CCC(CC1)CO 34a_100000738675_100000230001 [0,1,0,1,0,0|2,0,0]=4 19742 B12R1.71 OCCNC1CCC(CC1)CO 270004a_100000210304_100000062911 [0,1,0,1,0,0|2,0,0]=4 19743 B12R1.71 OCCN[C@H]1CC[C@@H](CC1)CO 34a_100009821084_100000211926 [0,1,0,1,0,0|2,0,0]=4 19744 B12R1.71 OC[C@H]1CC[C@@H](CC1)CNCF 34a_100121570882_100015361967 [0,1,0,1,0,0|2,0,0]=4 19745 B12R1.71 OC[C@H]1CC[C@@H](CC1)NCCF 34a_100009821084_100011217306 [0,1,0,1,0,0|2,0,0]=4 19746 B12R1.270 CCCN1CC(CCC1C)CC 2230a_100011219223_100000210303 [0,1,0,1,0,0|2,0,0]=4 19747 B12R1.270 CCCN1CC(CCC1C)CC 269982a_100011219223_100000210303 [0,1,0,1,0,0|2,0,0]=4 19748 B12R1.270 CCCN1CC(CCC1C)CC 34a_100011219223_100000210303 [0,1,0,1,0,0|2,0,0]=4 19749 B12R1.431 CCC(O)CNC1CC(C1)CO 270004a_100011218483_100000101936 [0,1,0,1,0,0|2,0,0]=4 19750 B12R1.431 CCC(O)CNC1CN(C1)CC 2230a_200015199589_100011218378 [0,1,0,1,0,0|2,0,0]=4 19751 B12R1.431 CCC(O)CN[C@H]1C[C@@H](C1)OC 2230a_100121570643_100011218378 [0,1,0,1,0,0|2,0,0]=4 19752 B12R1.431 CCC(O)CSC1CC(C1)CO 62a_100009874164_100011218378 [0,1,0,1,0,0|2,0,0]=4 19753 B12R1.431 CCC(O)CSC1CC(C1)CO 62a_100011218378_100009874164 [0,1,0,1,0,0|2,0,0]=4 19754 B12R1.463 CC(CCCCl)OCC1CCO1 34a_200000718107_100000103362 [0,1,0,1,0,0|2,0,0]=4 19755 B12R1.463 CC(CCCCl)OCC1CCO1 7a_200000718107_100000103362 [0,1,0,1,0,0|2,0,0]=4 19756 B12R1.463 CCCCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000210183 [0,1,0,1,0,0|1,0,1]=4 19757 B12R1.463 CCCCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000210183 [0,1,0,1,0,0|1,0,1]=4 19758 B12R1.463 CCCCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000210183 [0,1,0,1,0,0|1,0,1]=4 19759 B12R1.463 CCCCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000210183 [0,1,0,1,0,0|1,0,1]=4 19760 B12R1.463 CCCCC(C)COC1CCC1 34a_100011995851_100000749161 [0,1,0,1,0,0|2,0,0]=4 19761 B12R1.463 CCCCC(C)NCC1CCC1 2230a_100000126638_100000763275 [0,1,0,1,0,0|2,0,0]=4 19762 B12R1.463 CCCCC(C)NCC1CCC1 2230a_100000738700_200011215066 [0,1,0,1,0,0|2,0,0]=4 19763 B12R1.463 CCCCC(C)NCC1CCC1 269862a_100000126638_100000753134 [0,1,0,1,0,0|2,0,0]=4 19764 B12R1.463 CCCCC(C)NCC1CCC1 270004a_100000738700_100000210087 [0,1,0,1,0,0|2,0,0]=4 19765 B12R1.463 CCCCC(C)NCC1CCC1 34a_100000738700_200011215066 [0,1,0,1,0,0|2,0,0]=4 19766 B12R1.463 CCCCC(C)NCC1CCO1 2230a_100000126638_100000103362 [0,1,0,1,0,0|1,0,0]=3 19767 B12R1.463 CCCCC(C)NC[C@@H]1CCO1 2230a_100020831831_200011215066 [0,1,0,1,0,0|1,0,0]=3 19768 B12R1.463 CCCCC(C)NC[C@@H]1CCO1 270004a_100020831831_100000210087 [0,1,0,1,0,0|1,0,0]=3 19769 B12R1.463 CCCCC(C)NC[C@@H]1CCO1 34a_100020831831_200011215066 [0,1,0,1,0,0|1,0,0]=3 19770 B12R1.463 CCCCC(C)OCC1CCC1 34a_100000687866_100000763275 [0,1,0,1,0,0|2,0,0]=4 19771 B12R1.463 CCCCC(C)OCC1CCC1 34a_100000760304_200011215066 [0,1,0,1,0,0|2,0,0]=4 19772 B12R1.463 CCCCC(C)OCC1CCC1 7a_100000687866_100000763275 [0,1,0,1,0,0|2,0,0]=4 19773 B12R1.463 CCCCC(C)OCC1CCO1 34a_100000039022_200011215066 [0,1,0,1,0,0|1,0,0]=3 19774 B12R1.463 CCCCC(C)OCC1CCO1 34a_100000687866_100000103362 [0,1,0,1,0,0|1,0,0]=3 19775 B12R1.463 CCCCC(C)OCC1CCO1 7a_100000687866_100000103362 [0,1,0,1,0,0|1,0,0]=3 19776 B12R1.463 CCCCC(C)SCC1CCC1 62a_100000763275_200011215066 [0,1,0,1,0,0|2,0,0]=4 19777 B12R1.463 CCCCC(C)SCC1CCC1 62a_200011215066_100000763275 [0,1,0,1,0,0|2,0,0]=4 19778 B12R1.463 CCCCC(C)SCC1CCO1 62a_100000103362_200011215066 [0,1,0,1,0,0|1,0,0]=3 19779 B12R1.463 CCCCC(C)SCC1CCO1 62a_200011215066_100000103362 [0,1,0,1,0,0|1,0,0]=3 19780 B12R1.463 CCCC[C@H](N)COC1CCC1 34a_100011934283_100000749161 [0,1,0,1,0,0|2,0,0]=4 19781 B12R1.463 CCOCC(C)OCC1CCO1 34a_100000718985_100000103362 [0,1,0,1,0,0|2,0,0]=4 19782 B12R1.463 CCOCC(C)OCC1CCO1 7a_100000718985_100000103362 [0,1,0,1,0,0|2,0,0]=4 19783 B12R1.463 CCSCC(C)NC[C@@H]1CCO1 270004a_100020831831_200011216171 [0,1,0,1,0,0|2,0,0]=4 19784 B12R1.463 COCCC(C)NC[C@@H]1CCO1 270004a_100020831831_100000742357 [0,1,0,1,0,0|2,0,0]=4 19785 B12R1.463 CSCCC(C)NC[C@@H]1CCO1 270004a_100020831831_100011217047 [0,1,0,1,0,0|2,0,0]=4 19786 B12R1.549 CCCCC(C)OCC1CC1C 34a_100000744939_200011215066 [0,1,0,1,0,0|2,0,0]=4 19787 B12R1.549 CCCCC(C)OCC1CC1C 7a_100000744939_200011215066 [0,1,0,1,0,0|2,0,0]=4 19788 B12R1.882 CCCCC(=O)NCC1(CC1)O 11a_100011936951_100000210183 [0,1,0,1,0,0|1,0,1]=4 19789 B12R1.882 CCCCC(=O)NCC1(CC1)O 240690a_100011936951_100000210183 [0,1,0,1,0,0|1,0,1]=4 19790 B12R1.882 CCCCC(=O)NCC1(CC1)O 527a_100011936951_100000210183 [0,1,0,1,0,0|1,0,1]=4 19791 B12R1.882 CCCCC(C)NCC1(CC1)C 2230a_100000766693_200011215066 [0,1,0,1,0,0|2,0,0]=4 19792 B12R1.882 CCCCC(C)NCC1(CC1)C 270004a_100000766693_100000210087 [0,1,0,1,0,0|2,0,0]=4 19793 B12R1.882 CCCCC(C)NCC1(CC1)O 2230a_100011936951_200011215066 [0,1,0,1,0,0|1,0,0]=3 19794 B12R1.882 CCCCC(C)NCC1(CC1)O 270004a_100011936951_100000210087 [0,1,0,1,0,0|1,0,0]=3 19795 B12R1.882 CCCCC(C)OCC1(CC1)C 7a_100000698024_200011215066 [0,1,0,1,0,0|2,0,0]=4 19796 B12R1.882 CCCCC(C)OCC1(CC1)F 34a_200000703853_200011215066 [0,1,0,1,0,0|2,0,0]=4 19797 B12R1.882 CCCCC(C)OCC1(CC1)F 7a_200000703853_200011215066 [0,1,0,1,0,0|2,0,0]=4 19798 B12R1.882 CCSCC(C)NCC1(CC1)O 270004a_100011936951_200011216171 [0,1,0,1,0,0|2,0,0]=4 19799 B12R1.882 COCCC(C)NCC1(CC1)O 270004a_100011936951_100000742357 [0,1,0,1,0,0|2,0,0]=4 19800 B12R1.882 CSCCC(C)NCC1(CC1)O 270004a_100011936951_100011217047 [0,1,0,1,0,0|2,0,0]=4 19801 B12R1.908 CC(NCC(O)CO)C1CCC1 2230a_100016994624_100011219619 [0,1,0,1,0,0|2,0,0]=4 19802 B12R1.908 CC(NCC(O)CO)C1CCC1 34a_100016994624_100011219619 [0,1,0,1,0,0|2,0,0]=4 19803 B12R1.908 CC(NC[C@@H](O)CF)C1CCC1 2230a_100016994624_100015614560 [0,1,0,1,0,0|2,0,0]=4 19804 B12R1.908 CC(NC[C@@H](O)CF)C1CCC1 34a_100016994624_100015614560 [0,1,0,1,0,0|2,0,0]=4 19805 B12R1.908 CC(NC[C@@H](O)CO)C1CCC1 2230a_100016994624_100009815848 [0,1,0,1,0,0|2,0,0]=4 19806 B12R1.908 CC(NC[C@@H](O)CO)C1CCC1 34a_100016994624_100009815848 [0,1,0,1,0,0|2,0,0]=4 19807 B12R1.908 CC(NC[C@H](O)CO)C1CCC1 269862a_100020644852_100000760154 [0,1,0,1,0,0|2,0,0]=4 19808 B12R1.908 CC(OCC(O)CO)C1CCC1 34a_100000766398_100011219619 [0,1,0,1,0,0|2,0,0]=4 19809 B12R1.908 CC(OCC(O)CO)C1CCC1 7a_100000766398_100011219619 [0,1,0,1,0,0|2,0,0]=4 19810 B12R1.908 CC(OC[C@@H](O)CF)C1CCC1 34a_100000766398_100015614560 [0,1,0,1,0,0|2,0,0]=4 19811 B12R1.908 CC(OC[C@@H](O)CF)C1CCC1 7a_100000766398_100015614560 [0,1,0,1,0,0|2,0,0]=4 19812 B12R1.908 CC(OC[C@@H](O)CO)C1CCC1 34a_100000766398_100009815848 [0,1,0,1,0,0|2,0,0]=4 19813 B12R1.908 CC(OC[C@@H](O)CO)C1CCC1 7a_100000766398_100009815848 [0,1,0,1,0,0|2,0,0]=4 19814 B12R1.908 CCC(C)CCC(=O)C1CCC1 1458a_100000701222_100000749161 [0,1,0,1,0,0|1,0,1]=4 19815 B12R1.908 CCC(C)CNC(C)C1CCC1 2230a_100016994624_100000748023 [0,1,0,1,0,0|2,0,0]=4 19816 B12R1.908 CCC(C)CNC(C)C1CCC1 269862a_100020588543_100000760154 [0,1,0,1,0,0|2,0,0]=4 19817 B12R1.908 CCC(C)CNC(C)C1CCC1 270004a_100016994624_100000243153 [0,1,0,1,0,0|2,0,0]=4 19818 B12R1.908 CCC(C)CNC(C)C1CCC1 34a_100016994624_100000748023 [0,1,0,1,0,0|2,0,0]=4 19819 B12R1.908 CCC(C)COC(C)C1CCC1 34a_100000766398_100000748023 [0,1,0,1,0,0|2,0,0]=4 19820 B12R1.908 CCC(C)COC(C)C1CCC1 7a_100000766398_100000748023 [0,1,0,1,0,0|2,0,0]=4 19821 B12R1.908 CCC(O)CCC(=O)N1CCC1 240690a_100000754969_203496584001 [0,1,0,1,0,0|1,0,1]=4 19822 B12R1.908 CCC(O)CNC(=O)C1CCC1 11a_100011218483_100000209988 [0,1,0,1,0,0|1,0,1]=4 19823 B12R1.908 CCC(O)CNC(=O)C1CCC1 240690a_100011218483_100000209988 [0,1,0,1,0,0|1,0,1]=4 19824 B12R1.908 CCC(O)CNC(=O)C1CCC1 527a_100011218483_100000209988 [0,1,0,1,0,0|1,0,1]=4 19825 B12R1.908 CCC(O)CNC(C)C1CCC1 2230a_100016994624_100011218378 [0,1,0,1,0,0|1,0,0]=3 19826 B12R1.908 CCC(O)CNC(C)C1CCC1 269862a_100011218483_100000760154 [0,1,0,1,0,0|1,0,0]=3 19827 B12R1.908 CCC(O)CNC(C)C1CCC1 34a_100016994624_100011218378 [0,1,0,1,0,0|1,0,0]=3 19828 B12R1.908 CCC(O)COC(C)C1CCC1 34a_100000766398_100011218378 [0,1,0,1,0,0|1,0,0]=3 19829 B12R1.908 CCC(O)COC(C)C1CCC1 7a_100000766398_100011218378 [0,1,0,1,0,0|1,0,0]=3 19830 B12R1.908 CC[C@H](C)CNC(C)C1CCC1 2230a_100016994624_100009816398 [0,1,0,1,0,0|2,0,0]=4 19831 B12R1.908 CC[C@H](C)CNC(C)C1CCC1 34a_100016994624_100009816398 [0,1,0,1,0,0|2,0,0]=4 19832 B12R1.908 CC[C@H](C)COC(C)C1CCC1 34a_100000766398_100009816398 [0,1,0,1,0,0|2,0,0]=4 19833 B12R1.908 CC[C@H](C)COC(C)C1CCC1 7a_100000766398_100009816398 [0,1,0,1,0,0|2,0,0]=4 19834 B12R1.910 CCC(C)CCC(=O)CC1CC1 1458a_100000701222_100000742324 [0,1,0,1,0,0|1,0,1]=4 19835 B12R1.910 CCC(C)CNC(C)CC1CC1 270004a_100020588543_200000686933 [0,1,0,1,0,0|2,0,0]=4 19836 B12R1.910 CCC(O)CCC(=O)NC1CC1 1626a_100000212008_203496584001 [0,1,0,1,0,0|1,0,1]=4 19837 B12R1.910 CCC(O)CCC(=O)NC1CC1 240690a_100000212008_203496584001 [0,1,0,1,0,0|1,0,1]=4 19838 B12R1.910 CCC(O)CNC(=O)CC1CC1 11a_100011218483_100000738066 [0,1,0,1,0,0|1,0,1]=4 19839 B12R1.910 CCC(O)CNC(=O)CC1CC1 240690a_100011218483_100000738066 [0,1,0,1,0,0|1,0,1]=4 19840 B12R1.910 CCC(O)CNC(=O)CC1CC1 527a_100011218483_100000738066 [0,1,0,1,0,0|1,0,1]=4 19841 B12R1.910 CCC(O)CNC(C)CC1CC1 270004a_100011218483_200000686933 [0,1,0,1,0,0|1,0,0]=3 19842 B12R1.1657 CCC(C)N1CCCCC(C1)O 2230a_100025706797_100000758301 [0,1,0,1,0,0|2,0,0]=4 19843 B12R1.1657 CCC(C)N1CCCCC(C1)O 269982a_100025706797_100000758301 [0,1,0,1,0,0|2,0,0]=4 19844 B12R1.1677 CC1(CCCC1)OCC(O)CO 34a_100000751722_100011219619 [0,1,0,1,0,0|2,0,0]=4 19845 B12R1.1677 CC1(CCCC1)OCC(O)CO 7a_100000751722_100011219619 [0,1,0,1,0,0|2,0,0]=4 19846 B12R1.1677 CC1(CCCC1)OC[C@@H](O)CF 34a_100000751722_100015614560 [0,1,0,1,0,0|2,0,0]=4 19847 B12R1.1677 CC1(CCCC1)OC[C@@H](O)CF 7a_100000751722_100015614560 [0,1,0,1,0,0|2,0,0]=4 19848 B12R1.1677 CC1(CCCC1)OC[C@@H](O)CO 34a_100000751722_100009815848 [0,1,0,1,0,0|2,0,0]=4 19849 B12R1.1677 CC1(CCCC1)OC[C@@H](O)CO 7a_100000751722_100009815848 [0,1,0,1,0,0|2,0,0]=4 19850 B12R1.1677 CCC(C)COC1(CCCC1)C 34a_100000751722_100000748023 [0,1,0,1,0,0|2,0,0]=4 19851 B12R1.1677 CCC(C)COC1(CCCC1)C 7a_100000751722_100000748023 [0,1,0,1,0,0|2,0,0]=4 19852 B12R1.1677 CCC(C)NCC1(CCCC1)O 2230a_100000737848_100000758301 [0,1,0,1,0,0|2,0,0]=4 19853 B12R1.1677 CCC(C)OCC1(CCCC1)N 34a_100000749328_100011215416 [0,1,0,1,0,0|2,0,0]=4 19854 B12R1.1677 CCC(O)CNC1(CCOC1)C 2230a_100000693475_100011218378 [0,1,0,1,0,0|2,0,0]=4 19855 B12R1.1677 CCC(O)COC1(CCCC1)C 34a_100000751722_100011218378 [0,1,0,1,0,0|1,0,0]=3 19856 B12R1.1677 CCC(O)COC1(CCCC1)C 7a_100000751722_100011218378 [0,1,0,1,0,0|1,0,0]=3 19857 B12R1.1677 CC[C@H](C)COC1(CCCC1)C 34a_100000751722_100009816398 [0,1,0,1,0,0|2,0,0]=4 19858 B12R1.1677 CC[C@H](C)COC1(CCCC1)C 7a_100000751722_100009816398 [0,1,0,1,0,0|2,0,0]=4 19859 B12R1.2023 CCCCC(=O)N1C[C@@H]([C@@H]1C)O 11a_206633788156_100000210183 [0,1,0,1,0,0|1,0,1]=4 19860 B12R1.2023 CCCCC(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_100000210183 [0,1,0,1,0,0|1,0,1]=4 19861 B12R1.2023 CCCCC(=O)N1C[C@@H]([C@@H]1C)O 527a_206633788156_100000210183 [0,1,0,1,0,0|1,0,1]=4 19862 B12R1.2023 CCCCC(C)N1C[C@@H]([C@@H]1C)O 2230a_206633788156_200011215066 [0,1,0,1,0,0|1,0,0]=3 19863 B12R1.2023 CCCCC(C)N1C[C@@H]([C@@H]1C)O 269982a_206633788156_200011215066 [0,1,0,1,0,0|1,0,0]=3 19864 B12R1.2023 CCCCC(C)N1C[C@@H]([C@@H]1C)O 270004a_206633788156_100000210087 [0,1,0,1,0,0|1,0,0]=3 19865 B12R1.2023 CCSCC(C)N1C[C@@H]([C@@H]1C)O 270004a_206633788156_200011216171 [0,1,0,1,0,0|2,0,0]=4 19866 B12R1.2023 COCCC(C)N1C[C@@H]([C@@H]1C)O 270004a_206633788156_100000742357 [0,1,0,1,0,0|2,0,0]=4 19867 B12R1.2023 CSCCC(C)N1C[C@@H]([C@@H]1C)O 270004a_206633788156_100011217047 [0,1,0,1,0,0|2,0,0]=4 19868 B12R1.2025 CCCCC(C)N1CC(C1)CC 2230a_100015205115_200011215066 [0,1,0,1,0,0|2,0,0]=4 19869 B12R1.2025 CCCCC(C)N1CC(C1)CC 269982a_100015205115_200011215066 [0,1,0,1,0,0|2,0,0]=4 19870 B12R1.2025 CCCCC(C)N1CC(C1)CC 270004a_100015205115_100000210087 [0,1,0,1,0,0|2,0,0]=4 19871 B12R1.2217 CC1CCC(N1CC(O)CO)C 2230a_100000687148_100011219619 [0,1,0,1,0,0|2,0,0]=4 19872 B12R1.2217 CC1CCC(N1CC(O)CO)C 34a_100000687148_100011219619 [0,1,0,1,0,0|2,0,0]=4 19873 B12R1.2217 CC1CCC(N1C[C@@H](O)CF)C 2230a_100000687148_100015614560 [0,1,0,1,0,0|2,0,0]=4 19874 B12R1.2217 CC1CCC(N1C[C@@H](O)CF)C 34a_100000687148_100015614560 [0,1,0,1,0,0|2,0,0]=4 19875 B12R1.2217 CC1CCC(N1C[C@@H](O)CO)C 2230a_100000687148_100009815848 [0,1,0,1,0,0|2,0,0]=4 19876 B12R1.2217 CC1CCC(N1C[C@@H](O)CO)C 34a_100000687148_100009815848 [0,1,0,1,0,0|2,0,0]=4 19877 B12R1.2217 CCC(C)CN1C(CCC1C)C 2230a_100000687148_100000748023 [0,1,0,1,0,0|2,0,0]=4 19878 B12R1.2217 CCC(C)CN1C(CCC1C)C 269982a_100000687148_100000748023 [0,1,0,1,0,0|2,0,0]=4 19879 B12R1.2217 CCC(C)CN1C(CCC1C)C 34a_100000687148_100000748023 [0,1,0,1,0,0|2,0,0]=4 19880 B12R1.2217 CCC(O)CN1C(CCC1C)C 2230a_100000687148_100011218378 [0,1,0,1,0,0|1,0,0]=3 19881 B12R1.2217 CCC(O)CN1C(CCC1C)C 269982a_100000687148_100011218378 [0,1,0,1,0,0|1,0,0]=3 19882 B12R1.2217 CCC(O)CN1C(CCC1C)C 34a_100000687148_100011218378 [0,1,0,1,0,0|1,0,0]=3 19883 B12R1.2217 CC[C@H](C)CN1C(CCC1C)C 2230a_100000687148_100009816398 [0,1,0,1,0,0|2,0,0]=4 19884 B12R1.2217 CC[C@H](C)CN1C(CCC1C)C 269982a_100000687148_100009816398 [0,1,0,1,0,0|2,0,0]=4 19885 B12R1.2217 CC[C@H](C)CN1C(CCC1C)C 34a_100000687148_100009816398 [0,1,0,1,0,0|2,0,0]=4 19886 B12R1.2259 CCCO[C@@]1(CC[C@H](CC1)N)C 34a_202125554758_100000210303 [0,1,0,1,0,0|2,0,0]=4 19887 B12R1.3608 CCC(O)CNC(=O)C1CC1C 11a_100011218483_100000211227 [0,1,0,1,0,0|1,0,1]=4 19888 B12R1.3608 CCC(O)CNC(=O)C1CC1C 527a_100011218483_100000211227 [0,1,0,1,0,0|1,0,1]=4 19889 B12R1.24 CCN(C)C1CCCC(C1C)C 2230a_200000227778_200000210301 [0,1,0,1,0,0|2,0,0]=4 19890 B12R1.24 CCN(C)C1CCCC(C1C)C 269982a_200000227778_200000210301 [0,1,0,1,0,0|2,0,0]=4 19891 B12R1.24 CCN(C)C1CCCC(C1C)C 34a_200000227778_200000210301 [0,1,0,1,0,0|2,0,0]=4 19892 B12R1.24 CCN([13CH3])C1CCCC(C1C)C 2230a_200000227778_200025704644 [0,1,0,1,0,0|2,0,0]=4 19893 B12R1.24 CCN([13CH3])C1CCCC(C1C)C 269982a_200000227778_200025704644 [0,1,0,1,0,0|2,0,0]=4 19894 B12R1.24 CCN([13CH3])C1CCCC(C1C)C 34a_200000227778_200025704644 [0,1,0,1,0,0|2,0,0]=4 19895 B12R1.49 C=C1CCN(CC1)CC(O)CC 2230a_100000752442_100011218378 [0,1,0,1,0,0|1,0,1]=4 19896 B12R1.49 C=C1CCN(CC1)CC(O)CC 269982a_100000752442_100011218378 [0,1,0,1,0,0|1,0,1]=4 19897 B12R1.49 C=C1CCN(CC1)CC(O)CC 34a_100000752442_100011218378 [0,1,0,1,0,0|1,0,1]=4 19898 B12R1.49 CC1CCN(CC1)CC(O)CO 2230a_100000188429_100011219619 [0,1,0,1,0,0|2,0,0]=4 19899 B12R1.49 CC1CCN(CC1)CC(O)CO 34a_100000188429_100011219619 [0,1,0,1,0,0|2,0,0]=4 19900 B12R1.49 CC1CCN(CC1)C[C@@H](O)CF 2230a_100000188429_100015614560 [0,1,0,1,0,0|2,0,0]=4 19901 B12R1.49 CC1CCN(CC1)C[C@@H](O)CF 34a_100000188429_100015614560 [0,1,0,1,0,0|2,0,0]=4 19902 B12R1.49 CC1CCN(CC1)C[C@@H](O)CO 2230a_100000188429_100009815848 [0,1,0,1,0,0|2,0,0]=4 19903 B12R1.49 CC1CCN(CC1)C[C@@H](O)CO 34a_100000188429_100009815848 [0,1,0,1,0,0|2,0,0]=4 19904 B12R1.49 CCC(=O)CC1CCC(CC1)C 1458a_100011215564_100000210202 [0,1,0,1,0,0|0,0,2]=4 19905 B12R1.49 CCC(=O)CC1CCC(CC1)O 1458a_100012184027_100000210202 [0,1,0,1,0,0|0,0,1]=3 19906 B12R1.49 CCC(=O)CN1CCC(CC1)O 269982a_100025773856_100000747405 [0,1,0,1,0,0|1,0,1]=4 19907 B12R1.49 CCC(=O)N[C@H]1CC[C@H](CC1)O 1626a_100020628982_100000210414 [0,1,0,1,0,0|1,0,1]=4 19908 B12R1.49 CCC(=O)N[C@H]1CC[C@H](CC1)O 240690a_100020628982_100000210414 [0,1,0,1,0,0|1,0,1]=4 19909 B12R1.49 CCC(C)CN1CCC(CC1)C 2230a_100000188429_100000748023 [0,1,0,1,0,0|2,0,0]=4 19910 B12R1.49 CCC(C)CN1CCC(CC1)C 269982a_100000188429_100000748023 [0,1,0,1,0,0|2,0,0]=4 19911 B12R1.49 CCC(C)CN1CCC(CC1)C 270004a_100000188429_100000243153 [0,1,0,1,0,0|2,0,0]=4 19912 B12R1.49 CCC(C)CN1CCC(CC1)C 34a_100000188429_100000748023 [0,1,0,1,0,0|2,0,0]=4 19913 B12R1.49 CCC(C)CN1CCC(CC1)F 2230a_100015193889_100000748023 [0,1,0,1,0,0|2,0,0]=4 19914 B12R1.49 CCC(C)CN1CCC(CC1)F 269982a_100015193889_100000748023 [0,1,0,1,0,0|2,0,0]=4 19915 B12R1.49 CCC(C)CN1CCC(CC1)F 270004a_100015193889_100000243153 [0,1,0,1,0,0|2,0,0]=4 19916 B12R1.49 CCC(C)CN1CCC(CC1)F 34a_100015193889_100000748023 [0,1,0,1,0,0|2,0,0]=4 19917 B12R1.49 CCC(C)CN1CCC(CC1)O 2230a_100025773856_100000748023 [0,1,0,1,0,0|1,0,0]=3 19918 B12R1.49 CCC(C)CN1CCC(CC1)O 269982a_100025773856_100000748023 [0,1,0,1,0,0|1,0,0]=3 19919 B12R1.49 CCC(C)CN1CCC(CC1)O 270004a_100025773856_100000243153 [0,1,0,1,0,0|1,0,0]=3 19920 B12R1.49 CCC(C)NC1CCC(CC1)C 270004a_100000209981_100000185489 [0,1,0,1,0,0|2,0,0]=4 19921 B12R1.49 CCC(C)NC1CCC(CC1)O 270004a_100000209981_100000764474 [0,1,0,1,0,0|1,0,0]=3 19922 B12R1.49 CCC(C)N[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000758301 [0,1,0,1,0,0|2,0,0]=4 19923 B12R1.49 CCC(C)N[C@H]1CC[C@@H](CC1)C 34a_100020625639_100011215416 [0,1,0,1,0,0|2,0,0]=4 19924 B12R1.49 CCC(C)OC1CCC(CC1)C 34a_100000210714_100011215416 [0,1,0,1,0,0|2,0,0]=4 19925 B12R1.49 CCC(C)OC1CCC(CC1)C 7a_100000210714_100000758301 [0,1,0,1,0,0|2,0,0]=4 19926 B12R1.49 CCC(C)O[C@H]1CC[C@H](CC1)N 34a_100020628982_100011215416 [0,1,0,1,0,0|2,0,0]=4 19927 B12R1.49 CCC(C)SC1CCC(CC1)C 62a_100000758301_200011216234 [0,1,0,1,0,0|2,0,0]=4 19928 B12R1.49 CCC(O)CN1CCC(CC1)C 2230a_100000188429_100011218378 [0,1,0,1,0,0|1,0,0]=3 19929 B12R1.49 CCC(O)CN1CCC(CC1)C 269982a_100000188429_100011218378 [0,1,0,1,0,0|1,0,0]=3 19930 B12R1.49 CCC(O)CN1CCC(CC1)C 34a_100000188429_100011218378 [0,1,0,1,0,0|1,0,0]=3 19931 B12R1.49 CCC(O)CN1CCC(CC1)F 2230a_100015193889_100011218378 [0,1,0,1,0,0|1,0,0]=3 19932 B12R1.49 CCC(O)CN1CCC(CC1)F 269982a_100015193889_100011218378 [0,1,0,1,0,0|1,0,0]=3 19933 B12R1.49 CCC(O)CN1CCC(CC1)F 34a_100015193889_100011218378 [0,1,0,1,0,0|1,0,0]=3 19934 B12R1.49 CCC(O)CN1CCC(CC1)O 2230a_100025773856_100011218378 [0,1,0,1,0,0|1,0,0]=3 19935 B12R1.49 CCC(O)CN1CCC(CC1)O 269982a_100025773856_100011218378 [0,1,0,1,0,0|1,0,0]=3 19936 B12R1.49 CCC(O)CN1CCN(CC1)C 2230a_100000188432_100011218378 [0,1,0,1,0,0|2,0,0]=4 19937 B12R1.49 CCC(O)CN1CCN(CC1)C 269982a_100000188432_100011218378 [0,1,0,1,0,0|2,0,0]=4 19938 B12R1.49 CCC(O)CN1CCS(=O)CC1 2230a_100000752083_100011218378 [0,1,0,1,0,0|2,0,0]=4 19939 B12R1.49 CCC(O)CN1CCS(=O)CC1 269982a_100000752083_100011218378 [0,1,0,1,0,0|2,0,0]=4 19940 B12R1.49 CC[C@H](C)CN1CCC(CC1)C 2230a_100000188429_100009816398 [0,1,0,1,0,0|2,0,0]=4 19941 B12R1.49 CC[C@H](C)CN1CCC(CC1)C 269982a_100000188429_100009816398 [0,1,0,1,0,0|2,0,0]=4 19942 B12R1.49 CC[C@H](C)CN1CCC(CC1)C 34a_100000188429_100009816398 [0,1,0,1,0,0|2,0,0]=4 19943 B12R1.49 CC[C@H](C)CN1CCC(CC1)F 2230a_100015193889_100009816398 [0,1,0,1,0,0|2,0,0]=4 19944 B12R1.49 CC[C@H](C)CN1CCC(CC1)F 269982a_100015193889_100009816398 [0,1,0,1,0,0|2,0,0]=4 19945 B12R1.49 CC[C@H](C)CN1CCC(CC1)F 34a_100015193889_100009816398 [0,1,0,1,0,0|2,0,0]=4 19946 B12R1.49 CC[C@H](C)CN1CCC(CC1)O 2230a_100025773856_100009816398 [0,1,0,1,0,0|1,0,0]=3 19947 B12R1.49 CC[C@H](C)CN1CCC(CC1)O 269982a_100025773856_100009816398 [0,1,0,1,0,0|1,0,0]=3 19948 B12R1.49 CNC(=O)CC1CCC(CC1)O 1626a_100102657272_100012184027 [0,1,0,1,0,0|1,0,1]=4 19949 B12R1.49 CNC(=O)CC1CCC(CC1)O 240690a_100102657272_100012184027 [0,1,0,1,0,0|1,0,1]=4 19950 B12R1.49 CNC(=O)CC1CCC(CC1)O 527a_100102657272_100012184027 [0,1,0,1,0,0|1,0,1]=4 19951 B12R1.49 C[C@@H](CO)CN1CCC(CC1)O 2230a_100025773856_100000059175 [0,1,0,1,0,0|2,0,0]=4 19952 B12R1.49 C[C@@H](CO)CN1CCC(CC1)O 269982a_100025773856_100000059175 [0,1,0,1,0,0|2,0,0]=4 19953 B12R1.49 C[C@H](CF)NC1CCC(CC1)O 270004a_100102880703_100000764474 [0,1,0,1,0,0|2,0,0]=4 19954 B12R1.49 C[C@H](CO)NC1CCC(CC1)O 270004a_100000737577_100000764474 [0,1,0,1,0,0|2,0,0]=4 19955 B12R1.49 O=C(CF)CC1CCC(CC1)O 1458a_100012184027_100015361967 [0,1,0,1,0,0|1,0,1]=4 19956 B12R1.49 OC1CCN(CC1)C[C@@H](O)CF 2230a_100025773856_100015614560 [0,1,0,1,0,0|2,0,0]=4 19957 B12R1.49 OCC(O)CN1CCC(CC1)F 2230a_100015193889_100011219619 [0,1,0,1,0,0|2,0,0]=4 19958 B12R1.49 OCC(O)CN1CCC(CC1)F 34a_100015193889_100011219619 [0,1,0,1,0,0|2,0,0]=4 19959 B12R1.49 OCC(O)CN1CCC(CC1)O 2230a_100025773856_100011219619 [0,1,0,1,0,0|2,0,0]=4 19960 B12R1.49 OC[C@H](O)CN1CCC(CC1)F 2230a_100015193889_100009815848 [0,1,0,1,0,0|2,0,0]=4 19961 B12R1.49 OC[C@H](O)CN1CCC(CC1)F 34a_100015193889_100009815848 [0,1,0,1,0,0|2,0,0]=4 19962 B12R1.49 OC[C@H](O)CN1CCC(CC1)O 2230a_100025773856_100009815848 [0,1,0,1,0,0|2,0,0]=4 19963 B12R1.49 O[C@@H](CF)CN1CCC(CC1)F 2230a_100015193889_100015614560 [0,1,0,1,0,0|2,0,0]=4 19964 B12R1.49 O[C@@H](CF)CN1CCC(CC1)F 34a_100015193889_100015614560 [0,1,0,1,0,0|2,0,0]=4 19965 B12R1.61 CCC(O)CN1CCC(C1)CO 2230a_100000748654_100011218378 [0,1,0,1,0,0|2,0,0]=4 19966 B12R1.61 CCC(O)CN1CCC(C1)CO 269982a_100000748654_100011218378 [0,1,0,1,0,0|2,0,0]=4 19967 B12R1.61 CCC(O)CN1CCC(C1)CO 34a_100000748654_100011218378 [0,1,0,1,0,0|2,0,0]=4 19968 B12R1.61 CCC(O)CN1CC[C@H](C1)OC 2230a_100000766984_100011218378 [0,1,0,1,0,0|2,0,0]=4 19969 B12R1.61 CCC(O)CN1CC[C@H](C1)OC 269982a_100000766984_100011218378 [0,1,0,1,0,0|2,0,0]=4 19970 B12R1.61 CCC1CCC(C1)NC(C)CC 270004a_100000209981_100011218773 [0,1,0,1,0,0|2,0,0]=4 19971 B12R1.1658 CC(CO)N1CCCC(CC1)O 2230a_100015186869_100012180447 [0,1,0,1,0,0|2,0,0]=4 19972 B12R1.1658 CCC(=O)N1CCCC(CC1)O 240690a_100015186869_100000210414 [0,1,0,1,0,0|1,0,1]=4 19973 B12R1.1658 CCC(=O)N1CCCC(CC1)O 527a_100015186869_100000210414 [0,1,0,1,0,0|1,0,1]=4 19974 B12R1.1658 CCC(C)N1CCCC(CC1)C 2230a_100025706717_100000758301 [0,1,0,1,0,0|2,0,0]=4 19975 B12R1.1658 CCC(C)N1CCCC(CC1)C 269982a_100025706717_100000758301 [0,1,0,1,0,0|2,0,0]=4 19976 B12R1.1658 CCC(C)N1CCCC(CC1)C 34a_100025706717_100011215416 [0,1,0,1,0,0|2,0,0]=4 19977 B12R1.1658 CCC(C)N1CCCC(CC1)O 2230a_100015186869_100000758301 [0,1,0,1,0,0|1,0,0]=3 19978 B12R1.1658 CCC(C)N1CCCC(CC1)O 269982a_100015186869_100000758301 [0,1,0,1,0,0|1,0,0]=3 19979 B12R1.1658 COC(C)N1CCCC(CC1)O 269982a_100015186869_100009879195 [0,1,0,1,0,0|2,0,0]=4 19980 B12R1.1658 C[C@H](CO)N1CCCC(CC1)O 269982a_100015186869_100016084084 [0,1,0,1,0,0|2,0,0]=4 19981 B12R1.21 C=C(C)CCN1CCC(CC1)O 2230a_100025773856_100000730704 [0,1,0,1,0,0|1,0,1]=4 19982 B12R1.21 C=C(C)CCN1CCC(CC1)O 269982a_100025773856_100000730704 [0,1,0,1,0,0|1,0,1]=4 19983 B12R1.21 CC(=O)CCN1CCC(CC1)O 269982a_100025773856_100000053229 [0,1,0,1,0,0|1,0,1]=4 19984 B12R1.21 CC(Br)COC1CCC(CC1)C 34a_100012180447_200011216234 [0,1,0,1,0,0|2,0,0]=4 19985 B12R1.21 CC(C)CCN1CCC(CC1)C 2230a_100000188429_100000210312 [0,1,0,1,0,0|2,0,0]=4 19986 B12R1.21 CC(C)CCN1CCC(CC1)C 269982a_100000188429_100000210312 [0,1,0,1,0,0|2,0,0]=4 19987 B12R1.21 CC(C)CCN1CCC(CC1)C 34a_100000188429_100000210312 [0,1,0,1,0,0|2,0,0]=4 19988 B12R1.21 CC(C)CCN1CCC(CC1)F 2230a_100015193889_100000210312 [0,1,0,1,0,0|2,0,0]=4 19989 B12R1.21 CC(C)CCN1CCC(CC1)F 269982a_100015193889_100000210312 [0,1,0,1,0,0|2,0,0]=4 19990 B12R1.21 CC(C)CCN1CCC(CC1)F 34a_100015193889_100000210312 [0,1,0,1,0,0|2,0,0]=4 19991 B12R1.21 CC(C)CCN1CCC(CC1)O 2230a_100025773856_100000210312 [0,1,0,1,0,0|1,0,0]=3 19992 B12R1.21 CC(C)CCN1CCC(CC1)O 269982a_100025773856_100000210312 [0,1,0,1,0,0|1,0,0]=3 19993 B12R1.21 CC(C)CNC1CCC(CC1)C 270004a_100000210953_100000185489 [0,1,0,1,0,0|2,0,0]=4 19994 B12R1.21 CC(C)CNC1CCC(CC1)C 34a_100000210953_200011216234 [0,1,0,1,0,0|2,0,0]=4 19995 B12R1.21 CC(C)CNC1CCC(CC1)O 270004a_100000210953_100000764474 [0,1,0,1,0,0|1,0,0]=3 19996 B12R1.21 CC(C)CN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000210760 [0,1,0,1,0,0|2,0,0]=4 19997 B12R1.21 CC(C)CN[C@H]1CC[C@@H](CC1)C 270004a_100020625639_100000210432 [0,1,0,1,0,0|2,0,0]=4 19998 B12R1.21 CC(C)CN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000210624 [0,1,0,1,0,0|2,0,0]=4 19999 B12R1.21 CC(C)CN[C@H]1CC[C@H](CC1)O 270004a_100020628982_100000210432 [0,1,0,1,0,0|1,0,0]=3 20000 B12R1.21 CC(C)COC1CCC(CC1)C 34a_100000210257_200011216234 [0,1,0,1,0,0|2,0,0]=4 20001 B12R1.21 CC(C)COC1CCC(CC1)C 34a_100000210714_100000210624 [0,1,0,1,0,0|2,0,0]=4 20002 B12R1.21 CC(C)COC1CCC(CC1)C 7a_100000210714_100000210760 [0,1,0,1,0,0|2,0,0]=4 20003 B12R1.21 CC(C)CO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000210624 [0,1,0,1,0,0|2,0,0]=4 20004 B12R1.21 CC(C)CSC1CCC(CC1)C 62a_100000210624_200011216234 [0,1,0,1,0,0|2,0,0]=4 20005 B12R1.21 CC(C)OCN1CCC(CC1)O 2230a_100025773856_100000709892 [0,1,0,1,0,0|2,0,0]=4 20006 B12R1.21 CC(C)OCN1CCC(CC1)O 269982a_100025773856_100000709892 [0,1,0,1,0,0|2,0,0]=4 20007 B12R1.21 CC(C)OC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100000210206 [0,1,0,1,0,0|2,0,0]=4 20008 B12R1.21 CC(F)COC1CCC(CC1)C 34a_100015925927_200011216234 [0,1,0,1,0,0|2,0,0]=4 20009 B12R1.21 CC(O)CCN1CCC(CC1)C 2230a_100000188429_100012276601 [0,1,0,1,0,0|2,0,0]=4 20010 B12R1.21 CC(O)CCN1CCC(CC1)C 269982a_100000188429_100012276601 [0,1,0,1,0,0|2,0,0]=4 20011 B12R1.21 CC(O)CCN1CCC(CC1)C 34a_100000188429_100012276601 [0,1,0,1,0,0|2,0,0]=4 20012 B12R1.21 CC(O)CCN1CCC(CC1)F 2230a_100015193889_100012276601 [0,1,0,1,0,0|2,0,0]=4 20013 B12R1.21 CC(O)CCN1CCC(CC1)F 269982a_100015193889_100012276601 [0,1,0,1,0,0|2,0,0]=4 20014 B12R1.21 CC(O)CCN1CCC(CC1)F 34a_100015193889_100012276601 [0,1,0,1,0,0|2,0,0]=4 20015 B12R1.21 CC(O)CCN1CCC(CC1)O 2230a_100025773856_100012276601 [0,1,0,1,0,0|1,0,0]=3 20016 B12R1.21 CC(O)CCN1CCC(CC1)O 269982a_100025773856_100012276601 [0,1,0,1,0,0|1,0,0]=3 20017 B12R1.21 CC(O)CNC1CCC(CC1)C 270004a_100000210904_100000185489 [0,1,0,1,0,0|2,0,0]=4 20018 B12R1.21 CC(O)CNC1CCC(CC1)C 34a_100000210904_200011216234 [0,1,0,1,0,0|2,0,0]=4 20019 B12R1.21 CC(O)CNC1CCC(CC1)O 270004a_100000210904_100000764474 [0,1,0,1,0,0|1,0,0]=3 20020 B12R1.21 CC(O)CN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100011218427 [0,1,0,1,0,0|2,0,0]=4 20021 B12R1.21 CC(O)CN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100011218427 [0,1,0,1,0,0|2,0,0]=4 20022 B12R1.21 CC(O)COC1CCC(CC1)C 34a_100000210714_100011218427 [0,1,0,1,0,0|2,0,0]=4 20023 B12R1.21 CC(O)COC1CCC(CC1)C 7a_100000210714_100011218427 [0,1,0,1,0,0|2,0,0]=4 20024 B12R1.21 CC(O)CO[C@H]1CC[C@H](CC1)N 34a_100020628982_100011218427 [0,1,0,1,0,0|2,0,0]=4 20025 B12R1.21 CC(O)CSC1CCC(CC1)C 62a_100011218427_200011216234 [0,1,0,1,0,0|2,0,0]=4 20026 B12R1.21 CC1CCC(CC1)CNC(C)C 2230a_103436935547_100000210206 [0,1,0,1,0,0|2,0,0]=4 20027 B12R1.21 CC1CCC(CC1)CNC(C)C 34a_103436935547_100000210206 [0,1,0,1,0,0|2,0,0]=4 20028 B12R1.21 CC1CCC(CC1)COC(C)C 34a_100000701341_100000210206 [0,1,0,1,0,0|2,0,0]=4 20029 B12R1.21 CC1CCC(CC1)OC[C@@H](C)Cl 34a_100016084084_200011216234 [0,1,0,1,0,0|2,0,0]=4 20030 B12R1.21 CC1CCC(CC1)OC[C@@H](C)N 34a_100000737577_200011216234 [0,1,0,1,0,0|2,0,0]=4 20031 B12R1.21 CC1CCC(CC1)OC[C@@H](C)O 34a_100000210714_100009817552 [0,1,0,1,0,0|2,0,0]=4 20032 B12R1.21 CC1CCC(CC1)OC[C@@H](C)O 7a_100000210714_100009817552 [0,1,0,1,0,0|2,0,0]=4 20033 B12R1.21 CC1CCC(CC1)SC[C@@H](C)O 62a_100009817552_200011216234 [0,1,0,1,0,0|2,0,0]=4 20034 B12R1.21 CN(C)CCN1CCC(CC1)O 269982a_100025773856_100000755713 [0,1,0,1,0,0|2,0,0]=4 20035 B12R1.21 C[C@@H](O)CN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100009817552 [0,1,0,1,0,0|2,0,0]=4 20036 B12R1.21 C[C@@H](O)CN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100009817552 [0,1,0,1,0,0|2,0,0]=4 20037 B12R1.21 C[C@@H](O)CO[C@H]1CC[C@H](CC1)N 34a_100020628982_100009817552 [0,1,0,1,0,0|2,0,0]=4 20038 B12R1.21 OC1CCC(CC1)NCC(F)F 270004a_100000765723_100000764474 [0,1,0,1,0,0|2,0,0]=4 20039 B12R1.50 CCC(=O)CC1CCCC(C1)C 1458a_100000748788_100000210202 [0,1,0,1,0,0|0,0,2]=4 20040 B12R1.50 CCC(C)CN1CCCC(C1)F 2230a_100000697950_100000748023 [0,1,0,1,0,0|2,0,0]=4 20041 B12R1.50 CCC(C)CN1CCCC(C1)F 269982a_100000697950_100000748023 [0,1,0,1,0,0|2,0,0]=4 20042 B12R1.50 CCC(C)CN1CCCC(C1)F 270004a_100000697950_100000243153 [0,1,0,1,0,0|2,0,0]=4 20043 B12R1.50 CCC(C)CN1CCCC(C1)F 34a_100000697950_100000748023 [0,1,0,1,0,0|2,0,0]=4 20044 B12R1.50 CCC(C)CN1CCCC(C1)O 2230a_100000211013_100000748023 [0,1,0,1,0,0|2,0,0]=4 20045 B12R1.50 CCC(C)CN1CCCC(C1)O 269982a_100000211013_100000748023 [0,1,0,1,0,0|2,0,0]=4 20046 B12R1.50 CCC(C)CN1CCCC(C1)O 270004a_100000211013_100000243153 [0,1,0,1,0,0|2,0,0]=4 20047 B12R1.50 CCC(C)CN1CCC[C@@H](C1)C 2230a_100000717927_100000748023 [0,1,0,1,0,0|2,0,0]=4 20048 B12R1.50 CCC(C)CN1CCC[C@@H](C1)C 269982a_100000717927_100000748023 [0,1,0,1,0,0|2,0,0]=4 20049 B12R1.50 CCC(C)CN1CCC[C@@H](C1)C 270004a_100000717927_100000243153 [0,1,0,1,0,0|2,0,0]=4 20050 B12R1.50 CCC(C)CN1CCC[C@@H](C1)C 34a_100000717927_100000748023 [0,1,0,1,0,0|2,0,0]=4 20051 B12R1.50 CCC(C)NC1CCCC(C1)C 2230a_100011194320_100000758301 [0,1,0,1,0,0|2,0,0]=4 20052 B12R1.50 CCC(C)NC1CCCC(C1)C 270004a_100000209981_100000183594 [0,1,0,1,0,0|2,0,0]=4 20053 B12R1.50 CCC(C)NC1CCCC(C1)C 34a_100011194320_100011215416 [0,1,0,1,0,0|2,0,0]=4 20054 B12R1.50 CCC(C)NC1CCCC(C1)O 2230a_100015190357_100000758301 [0,1,0,1,0,0|2,0,0]=4 20055 B12R1.50 CCC(C)NC1CCCC(C1)O 270004a_100000209981_100012613340 [0,1,0,1,0,0|2,0,0]=4 20056 B12R1.50 CCC(C)OC1CCCC(C1)C 34a_100000211399_100011215416 [0,1,0,1,0,0|2,0,0]=4 20057 B12R1.50 CCC(O)CN1CCCC(C1)F 2230a_100000697950_100011218378 [0,1,0,1,0,0|1,0,0]=3 20058 B12R1.50 CCC(O)CN1CCCC(C1)F 269982a_100000697950_100011218378 [0,1,0,1,0,0|1,0,0]=3 20059 B12R1.50 CCC(O)CN1CCCC(C1)F 34a_100000697950_100011218378 [0,1,0,1,0,0|1,0,0]=3 20060 B12R1.50 CCC(O)CN1CCCC(C1)O 2230a_100000211013_100011218378 [0,1,0,1,0,0|1,0,0]=3 20061 B12R1.50 CCC(O)CN1CCCC(C1)O 269982a_100000211013_100011218378 [0,1,0,1,0,0|1,0,0]=3 20062 B12R1.50 CCC(O)CN1CCC[C@@H](C1)C 2230a_100000717927_100011218378 [0,1,0,1,0,0|1,0,0]=3 20063 B12R1.50 CCC(O)CN1CCC[C@@H](C1)C 269982a_100000717927_100011218378 [0,1,0,1,0,0|1,0,0]=3 20064 B12R1.50 CCC(O)CN1CCC[C@@H](C1)C 34a_100000717927_100011218378 [0,1,0,1,0,0|1,0,0]=3 20065 B12R1.50 CCC(O)CN1CCOC(C1)C 2230a_100000729577_100011218378 [0,1,0,1,0,0|2,0,0]=4 20066 B12R1.50 CCC(O)CN1CCOC(C1)C 269982a_100000729577_100011218378 [0,1,0,1,0,0|2,0,0]=4 20067 B12R1.50 CCC(O)CN1CCOC(C1)C 34a_100000729577_100011218378 [0,1,0,1,0,0|2,0,0]=4 20068 B12R1.50 CCC(O)CN1CCOC(C1)O 2230a_100000688207_100011218378 [0,1,0,1,0,0|2,0,0]=4 20069 B12R1.50 CCC(O)CN1CCOC(C1)O 269982a_100000688207_100011218378 [0,1,0,1,0,0|2,0,0]=4 20070 B12R1.50 CC[C@H](C)CN1CCCC(C1)F 2230a_100000697950_100009816398 [0,1,0,1,0,0|2,0,0]=4 20071 B12R1.50 CC[C@H](C)CN1CCCC(C1)F 269982a_100000697950_100009816398 [0,1,0,1,0,0|2,0,0]=4 20072 B12R1.50 CC[C@H](C)CN1CCCC(C1)F 34a_100000697950_100009816398 [0,1,0,1,0,0|2,0,0]=4 20073 B12R1.50 CC[C@H](C)CN1CCCC(C1)O 2230a_100000211013_100009816398 [0,1,0,1,0,0|2,0,0]=4 20074 B12R1.50 CC[C@H](C)CN1CCCC(C1)O 269982a_100000211013_100009816398 [0,1,0,1,0,0|2,0,0]=4 20075 B12R1.50 CC[C@H](C)CN1CCC[C@@H](C1)C 2230a_100000717927_100009816398 [0,1,0,1,0,0|2,0,0]=4 20076 B12R1.50 CC[C@H](C)CN1CCC[C@@H](C1)C 269982a_100000717927_100009816398 [0,1,0,1,0,0|2,0,0]=4 20077 B12R1.50 CC[C@H](C)CN1CCC[C@@H](C1)C 34a_100000717927_100009816398 [0,1,0,1,0,0|2,0,0]=4 20078 B12R1.50 C[C@H]1CCCN(C1)CC(O)CO 2230a_100000717927_100011219619 [0,1,0,1,0,0|2,0,0]=4 20079 B12R1.50 C[C@H]1CCCN(C1)CC(O)CO 34a_100000717927_100011219619 [0,1,0,1,0,0|2,0,0]=4 20080 B12R1.50 C[C@H]1CCCN(C1)C[C@@H](O)CF 2230a_100000717927_100015614560 [0,1,0,1,0,0|2,0,0]=4 20081 B12R1.50 C[C@H]1CCCN(C1)C[C@@H](O)CF 34a_100000717927_100015614560 [0,1,0,1,0,0|2,0,0]=4 20082 B12R1.50 C[C@H]1CCCN(C1)C[C@@H](O)CO 2230a_100000717927_100009815848 [0,1,0,1,0,0|2,0,0]=4 20083 B12R1.50 C[C@H]1CCCN(C1)C[C@@H](O)CO 34a_100000717927_100009815848 [0,1,0,1,0,0|2,0,0]=4 20084 B12R1.50 OC1CCCN(C1)C[C@@H](O)CF 2230a_100000211013_100015614560 [0,1,0,1,0,0|2,0,0]=4 20085 B12R1.50 OCC(O)CN1CCCC(C1)F 2230a_100000697950_100011219619 [0,1,0,1,0,0|2,0,0]=4 20086 B12R1.50 OCC(O)CN1CCCC(C1)F 34a_100000697950_100011219619 [0,1,0,1,0,0|2,0,0]=4 20087 B12R1.50 OCC(O)CN1CCCC(C1)O 2230a_100000211013_100011219619 [0,1,0,1,0,0|2,0,0]=4 20088 B12R1.50 OC[C@H](O)CN1CCCC(C1)F 2230a_100000697950_100009815848 [0,1,0,1,0,0|2,0,0]=4 20089 B12R1.50 OC[C@H](O)CN1CCCC(C1)F 34a_100000697950_100009815848 [0,1,0,1,0,0|2,0,0]=4 20090 B12R1.50 OC[C@H](O)CN1CCCC(C1)O 2230a_100000211013_100009815848 [0,1,0,1,0,0|2,0,0]=4 20091 B12R1.50 O[C@@H](CF)CN1CCCC(C1)F 2230a_100000697950_100015614560 [0,1,0,1,0,0|2,0,0]=4 20092 B12R1.50 O[C@@H](CF)CN1CCCC(C1)F 34a_100000697950_100015614560 [0,1,0,1,0,0|2,0,0]=4 20093 B12R1.59 CCC1CCC(C1)CCC(=O)C 1458a_200009887184_200000210301 [0,1,0,1,0,0|1,0,1]=4 20094 B12R1.59 CCC1CCC(C1)CCC(=O)[13CH3] 1458a_200009887184_200025704644 [0,1,0,1,0,0|1,0,1]=4 20095 B12R1.59 CCC1CCC(C1)NCC(C)C 270004a_100000210953_100011218773 [0,1,0,1,0,0|2,0,0]=4 20096 B12R1.59 CCC1CCC(C1)NCC(C)O 270004a_100000210904_100011218773 [0,1,0,1,0,0|2,0,0]=4 20097 B12R1.105 C=C(C)CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000730704 [0,1,0,1,0,0|1,0,1]=4 20098 B12R1.105 CC(=O)CCCN1CCC(C1)O 269982a_100011215560_100011215641 [0,1,0,1,0,0|1,0,1]=4 20099 B12R1.105 CC(C)CCCN1CCC(C1)O 2230a_100011215560_100011214892 [0,1,0,1,0,0|1,0,0]=3 20100 B12R1.105 CC(C)CCCN1CCC(C1)O 269982a_100011215560_100011214892 [0,1,0,1,0,0|1,0,0]=3 20101 B12R1.105 CC(C)CCCN1CC[C@@H](C1)F 2230a_100015203821_100011214892 [0,1,0,1,0,0|2,0,0]=4 20102 B12R1.105 CC(C)CCCN1CC[C@@H](C1)F 269982a_100015203821_100011214892 [0,1,0,1,0,0|2,0,0]=4 20103 B12R1.105 CC(C)CCCN1CC[C@@H](C1)F 34a_100015203821_100011214892 [0,1,0,1,0,0|2,0,0]=4 20104 B12R1.105 CC(C)CCCN1CC[C@H](C1)C 2230a_100016987628_100011214892 [0,1,0,1,0,0|2,0,0]=4 20105 B12R1.105 CC(C)CCCN1CC[C@H](C1)C 269982a_100016987628_100011214892 [0,1,0,1,0,0|2,0,0]=4 20106 B12R1.105 CC(C)CCCN1CC[C@H](C1)C 34a_100016987628_100011214892 [0,1,0,1,0,0|2,0,0]=4 20107 B12R1.105 CC(C)CCNC1CCC(C1)C 270004a_100000210545_100011215218 [0,1,0,1,0,0|2,0,0]=4 20108 B12R1.105 CC(C)CCNC1CCC(C1)O 270004a_100000210545_100012614533 [0,1,0,1,0,0|1,0,0]=3 20109 B12R1.105 CC(C)CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210312 [0,1,0,1,0,0|1,0,0]=3 20110 B12R1.105 CC(C)CCN[C@H]1CC[C@H](C1)O 269862a_100015195300_100000185833 [0,1,0,1,0,0|1,0,0]=3 20111 B12R1.105 CC(C)CCOC1CCC(C1)C 34a_100000698185_100000210312 [0,1,0,1,0,0|2,0,0]=4 20112 B12R1.105 CC(C)OCCN1CCC(C1)O 2230a_100011215560_100000211751 [0,1,0,1,0,0|2,0,0]=4 20113 B12R1.105 CC(C)OCCN1CCC(C1)O 269982a_100011215560_100000211751 [0,1,0,1,0,0|2,0,0]=4 20114 B12R1.105 CC(C)OCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000709892 [0,1,0,1,0,0|2,0,0]=4 20115 B12R1.105 CC(C)SCCN1CCC(C1)O 2230a_100011215560_100000730970 [0,1,0,1,0,0|2,0,0]=4 20116 B12R1.105 CC(C)SCCN1CCC(C1)O 269982a_100011215560_100000730970 [0,1,0,1,0,0|2,0,0]=4 20117 B12R1.105 CC(O)CCCN1CCC(C1)O 2230a_100011215560_200000718107 [0,1,0,1,0,0|1,0,0]=3 20118 B12R1.105 CC(O)CCCN1CCC(C1)O 269982a_100011215560_200000718107 [0,1,0,1,0,0|1,0,0]=3 20119 B12R1.105 CC(O)CCCN1CC[C@@H](C1)F 2230a_100015203821_200000718107 [0,1,0,1,0,0|2,0,0]=4 20120 B12R1.105 CC(O)CCCN1CC[C@@H](C1)F 269982a_100015203821_200000718107 [0,1,0,1,0,0|2,0,0]=4 20121 B12R1.105 CC(O)CCCN1CC[C@@H](C1)F 34a_100015203821_200000718107 [0,1,0,1,0,0|2,0,0]=4 20122 B12R1.105 CC(O)CCCN1CC[C@H](C1)C 2230a_100016987628_200000718107 [0,1,0,1,0,0|2,0,0]=4 20123 B12R1.105 CC(O)CCCN1CC[C@H](C1)C 269982a_100016987628_200000718107 [0,1,0,1,0,0|2,0,0]=4 20124 B12R1.105 CC(O)CCCN1CC[C@H](C1)C 34a_100016987628_200000718107 [0,1,0,1,0,0|2,0,0]=4 20125 B12R1.105 CC(O)CCNC1CCC(C1)C 270004a_200000755665_100011215218 [0,1,0,1,0,0|2,0,0]=4 20126 B12R1.105 CC(O)CCNC1CCC(C1)O 270004a_200000755665_100012614533 [0,1,0,1,0,0|1,0,0]=3 20127 B12R1.105 CC(O)CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100012276601 [0,1,0,1,0,0|1,0,0]=3 20128 B12R1.105 CC(O)CCOC1CCC(C1)C 34a_100000698185_100012276601 [0,1,0,1,0,0|2,0,0]=4 20129 B12R1.105 CN(C)CCCN1CCC(C1)O 269982a_100011215560_100000757444 [0,1,0,1,0,0|2,0,0]=4 20130 B12R1.105 CN(C)CCNC1CCC(C1)O 270004a_100000210585_100012614533 [0,1,0,1,0,0|2,0,0]=4 20131 B12R1.143 CC(C)CCCOCC1CC1C 34a_100000744939_100011214892 [0,1,0,1,0,0|2,0,0]=4 20132 B12R1.143 CC(C)CCCOCC1CC1C 7a_100000744939_100011214892 [0,1,0,1,0,0|2,0,0]=4 20133 B12R1.143 CC(O)CCCOCC1CC1C 34a_100000744939_200000718107 [0,1,0,1,0,0|2,0,0]=4 20134 B12R1.143 CC(O)CCCOCC1CC1C 7a_100000744939_200000718107 [0,1,0,1,0,0|2,0,0]=4 20135 B12R1.224 CC(C)NC1CCCC(C1C)C 2230a_100000211273_100000210206 [0,1,0,1,0,0|2,0,0]=4 20136 B12R1.224 CC(C)NC1CCCC(C1C)C 34a_100000211273_100000210206 [0,1,0,1,0,0|2,0,0]=4 20137 B12R1.224 CC(C)OC1CCCC(C1C)C 34a_100011217532_100000210206 [0,1,0,1,0,0|2,0,0]=4 20138 B12R1.224 CC(C)OC1CCCC(C1C)C 7a_100011217532_100000210206 [0,1,0,1,0,0|2,0,0]=4 20139 B12R1.229 CC(C)CCCCN1CCC1C 269982a_100000755817_100011216152 [0,1,0,1,0,0|2,0,0]=4 20140 B12R1.229 CC(C)CCCCN1CCC1C 34a_100000755817_100011216152 [0,1,0,1,0,0|2,0,0]=4 20141 B12R1.257 CC(=O)CCCNC[C@@H]1CCO1 34a_100020831831_100000685027 [0,1,0,1,0,0|1,0,1]=4 20142 B12R1.257 CC(=O)CCCOCC1CCO1 34a_100000039022_100000685027 [0,1,0,1,0,0|1,0,1]=4 20143 B12R1.257 CC(=O)CCCOCC1CCO1 34a_100000759063_100000103362 [0,1,0,1,0,0|1,0,1]=4 20144 B12R1.257 CC(=O)CCCOCC1CCO1 7a_100000759063_100000103362 [0,1,0,1,0,0|1,0,1]=4 20145 B12R1.257 CC(=O)CCCSCC1CCO1 62a_100000103362_100011215641 [0,1,0,1,0,0|1,0,1]=4 20146 B12R1.257 CC(=O)CCCSCC1CCO1 62a_100011215641_100000103362 [0,1,0,1,0,0|1,0,1]=4 20147 B12R1.257 CC(C)CCCCCN1CCC1 269982a_100000754969_100000210682 [0,1,0,1,0,0|2,0,0]=4 20148 B12R1.257 CC(C)CCCCNC1CCC1 2230a_100000749019_100011216152 [0,1,0,1,0,0|2,0,0]=4 20149 B12R1.257 CC(C)CCCCNC1CCC1 34a_100000749019_100011216152 [0,1,0,1,0,0|2,0,0]=4 20150 B12R1.257 CC(C)CCCCOC1CCC1 34a_100000748187_100011216152 [0,1,0,1,0,0|2,0,0]=4 20151 B12R1.257 CC(C)CCCCOC1CCC1 34a_100011214890_100000749161 [0,1,0,1,0,0|2,0,0]=4 20152 B12R1.257 CC(C)CCCCSC1CCC1 62a_100011216152_100000749161 [0,1,0,1,0,0|2,0,0]=4 20153 B12R1.257 CC(C)CCCNCC1CCC1 2230a_100000738700_100011214892 [0,1,0,1,0,0|2,0,0]=4 20154 B12R1.257 CC(C)CCCNCC1CCC1 2230a_200000737386_100000763275 [0,1,0,1,0,0|2,0,0]=4 20155 B12R1.257 CC(C)CCCNCC1CCC1 269862a_200000737386_100000753134 [0,1,0,1,0,0|2,0,0]=4 20156 B12R1.257 CC(C)CCCNCC1CCC1 34a_100000738700_100011214892 [0,1,0,1,0,0|2,0,0]=4 20157 B12R1.257 CC(C)CCCNCC1CCC1 34a_200000737386_100000763275 [0,1,0,1,0,0|2,0,0]=4 20158 B12R1.257 CC(C)CCCNCC1CCO1 2230a_200000737386_100000103362 [0,1,0,1,0,0|1,0,0]=3 20159 B12R1.257 CC(C)CCCNCC1CCO1 34a_200000737386_100000103362 [0,1,0,1,0,0|1,0,0]=3 20160 B12R1.257 CC(C)CCCNC[C@@H]1CCO1 2230a_100020831831_100011214892 [0,1,0,1,0,0|1,0,0]=3 20161 B12R1.257 CC(C)CCCNC[C@@H]1CCO1 34a_100020831831_100011214892 [0,1,0,1,0,0|1,0,0]=3 20162 B12R1.257 CC(C)CCCOCC1CCC1 34a_100000210774_100000763275 [0,1,0,1,0,0|2,0,0]=4 20163 B12R1.257 CC(C)CCCOCC1CCC1 34a_100000760304_100011214892 [0,1,0,1,0,0|2,0,0]=4 20164 B12R1.257 CC(C)CCCOCC1CCC1 7a_100000210774_100000763275 [0,1,0,1,0,0|2,0,0]=4 20165 B12R1.257 CC(C)CCCOCC1CCO1 34a_100000039022_100011214892 [0,1,0,1,0,0|1,0,0]=3 20166 B12R1.257 CC(C)CCCOCC1CCO1 34a_100000210774_100000103362 [0,1,0,1,0,0|1,0,0]=3 20167 B12R1.257 CC(C)CCCOCC1CCO1 7a_100000210774_100000103362 [0,1,0,1,0,0|1,0,0]=3 20168 B12R1.257 CC(C)CCCSCC1CCC1 62a_100000763275_100011214892 [0,1,0,1,0,0|2,0,0]=4 20169 B12R1.257 CC(C)CCCSCC1CCC1 62a_100011214892_100000763275 [0,1,0,1,0,0|2,0,0]=4 20170 B12R1.257 CC(C)CCCSCC1CCO1 62a_100000103362_100011214892 [0,1,0,1,0,0|1,0,0]=3 20171 B12R1.257 CC(C)CCCSCC1CCO1 62a_100011214892_100000103362 [0,1,0,1,0,0|1,0,0]=3 20172 B12R1.257 CC(C)NCCOCC1CCO1 34a_100000224655_100000103362 [0,1,0,1,0,0|2,0,0]=4 20173 B12R1.257 CC(C)OCCNCC1CCO1 2230a_100000701111_100000103362 [0,1,0,1,0,0|2,0,0]=4 20174 B12R1.257 CC(C)OCCNCC1CCO1 34a_100000701111_100000103362 [0,1,0,1,0,0|2,0,0]=4 20175 B12R1.257 CC(C)OCCNC[C@@H]1CCO1 2230a_100020831831_100000211751 [0,1,0,1,0,0|2,0,0]=4 20176 B12R1.257 CC(C)OCCNC[C@@H]1CCO1 34a_100020831831_100000211751 [0,1,0,1,0,0|2,0,0]=4 20177 B12R1.257 CC(C)OCCOCC1CCO1 34a_100000039022_100000211751 [0,1,0,1,0,0|2,0,0]=4 20178 B12R1.257 CC(C)OCCOCC1CCO1 34a_100000211219_100000103362 [0,1,0,1,0,0|2,0,0]=4 20179 B12R1.257 CC(C)OCCOCC1CCO1 7a_100000211219_100000103362 [0,1,0,1,0,0|2,0,0]=4 20180 B12R1.257 CC(C)OCCSCC1CCO1 62a_100000103362_100000211751 [0,1,0,1,0,0|2,0,0]=4 20181 B12R1.257 CC(C)OCCSCC1CCO1 62a_100000211751_100000103362 [0,1,0,1,0,0|2,0,0]=4 20182 B12R1.257 CC(C)SCCNCC1CCO1 2230a_100000731138_100000103362 [0,1,0,1,0,0|2,0,0]=4 20183 B12R1.257 CC(C)SCCNCC1CCO1 34a_100000731138_100000103362 [0,1,0,1,0,0|2,0,0]=4 20184 B12R1.257 CC(C)SCCNC[C@@H]1CCO1 2230a_100020831831_100000730970 [0,1,0,1,0,0|2,0,0]=4 20185 B12R1.257 CC(C)SCCNC[C@@H]1CCO1 34a_100020831831_100000730970 [0,1,0,1,0,0|2,0,0]=4 20186 B12R1.257 CC(C)SCCOCC1CCO1 34a_100000039022_100000730970 [0,1,0,1,0,0|2,0,0]=4 20187 B12R1.257 CC(C)SCCOCC1CCO1 34a_200011212901_100000103362 [0,1,0,1,0,0|2,0,0]=4 20188 B12R1.257 CC(C)SCCOCC1CCO1 7a_200011212901_100000103362 [0,1,0,1,0,0|2,0,0]=4 20189 B12R1.257 CC(C)SCCSCC1CCO1 62a_100000103362_100000730970 [0,1,0,1,0,0|2,0,0]=4 20190 B12R1.257 CC(C)SCCSCC1CCO1 62a_100000730970_100000103362 [0,1,0,1,0,0|2,0,0]=4 20191 B12R1.257 CC(O)CCCNCC1CCC1 2230a_100000738700_200000718107 [0,1,0,1,0,0|2,0,0]=4 20192 B12R1.257 CC(O)CCCNCC1CCC1 34a_100000738700_200000718107 [0,1,0,1,0,0|2,0,0]=4 20193 B12R1.257 CC(O)CCCNC[C@@H]1CCO1 2230a_100020831831_200000718107 [0,1,0,1,0,0|1,0,0]=3 20194 B12R1.257 CC(O)CCCNC[C@@H]1CCO1 34a_100020831831_200000718107 [0,1,0,1,0,0|1,0,0]=3 20195 B12R1.257 CC(O)CCCOCC1CCC1 34a_100000760304_200000718107 [0,1,0,1,0,0|2,0,0]=4 20196 B12R1.257 CC(O)CCCOCC1CCO1 34a_100000039022_200000718107 [0,1,0,1,0,0|1,0,0]=3 20197 B12R1.257 CC(O)CCCSCC1CCC1 62a_100000763275_200000718107 [0,1,0,1,0,0|2,0,0]=4 20198 B12R1.257 CC(O)CCCSCC1CCC1 62a_200000718107_100000763275 [0,1,0,1,0,0|2,0,0]=4 20199 B12R1.257 CC(O)CCCSCC1CCO1 62a_100000103362_200000718107 [0,1,0,1,0,0|1,0,0]=3 20200 B12R1.257 CC(O)CCCSCC1CCO1 62a_200000718107_100000103362 [0,1,0,1,0,0|1,0,0]=3 20201 B12R1.257 CN(C)CCCSCC1CCO1 62a_100000103362_100000757444 [0,1,0,1,0,0|2,0,0]=4 20202 B12R1.257 CS(=O)CCCNCC1CCO1 2230a_200000753449_100000103362 [0,1,0,1,0,0|2,0,0]=4 20203 B12R1.368 CCC(C)N1CCCC1C(C)C 2230a_100000762757_100000758301 [0,1,0,1,0,0|2,0,0]=4 20204 B12R1.368 CCC(C)N1CCCC1C(C)C 269982a_100000762757_100000758301 [0,1,0,1,0,0|2,0,0]=4 20205 B12R1.368 CCC(C)N1CCCC1C(C)C 34a_100000762757_100011215416 [0,1,0,1,0,0|2,0,0]=4 20206 B12R1.394 C=C1CC(C1)CNCC(O)CC 2230a_100102567296_100011218378 [0,1,0,1,0,0|1,0,1]=4 20207 B12R1.394 C=C1CC(C1)CNCC(O)CC 34a_100102567296_100011218378 [0,1,0,1,0,0|1,0,1]=4 20208 B12R1.394 C=C1CC(C1)COCC(O)CC 34a_100011011225_100011218378 [0,1,0,1,0,0|1,0,1]=4 20209 B12R1.394 CCC(C)CNCC1CC(C1)O 2230a_100016992100_100000748023 [0,1,0,1,0,0|2,0,0]=4 20210 B12R1.394 CCC(C)CNCC1CC(C1)O 270004a_100016992100_100000243153 [0,1,0,1,0,0|2,0,0]=4 20211 B12R1.394 CCC(C)COCC1CC(C1)Cl 34a_100009874164_100000748023 [0,1,0,1,0,0|2,0,0]=4 20212 B12R1.394 CCC(O)CNCC1CC(=O)C1 2230a_100011218483_100009874392 [0,1,0,1,0,0|1,0,1]=4 20213 B12R1.394 CCC(O)CNCC1CC(C1)O 2230a_100016992100_100011218378 [0,1,0,1,0,0|1,0,0]=3 20214 B12R1.394 CCC(O)COCC1CC(=O)C1 34a_100000101936_100011218378 [0,1,0,1,0,0|1,0,1]=4 20215 B12R1.394 CCC(O)COCC1CC(C1)Cl 34a_100009874164_100011218378 [0,1,0,1,0,0|1,0,0]=3 20216 B12R1.394 CCC(O)CSCC1CC(=O)C1 62a_100009874392_100011218378 [0,1,0,1,0,0|1,0,1]=4 20217 B12R1.394 CCC(O)CSCC1CC(=O)C1 62a_100011218378_100009874392 [0,1,0,1,0,0|1,0,1]=4 20218 B12R1.394 CC[C@H](C)CNCC1CC(C1)O 2230a_100016992100_100009816398 [0,1,0,1,0,0|2,0,0]=4 20219 B12R1.394 CC[C@H](C)COCC1CC(C1)Cl 34a_100009874164_100009816398 [0,1,0,1,0,0|2,0,0]=4 20220 B12R1.394 OC1CC(C1)CNC[C@@H](O)CF 2230a_100016992100_100015614560 [0,1,0,1,0,0|2,0,0]=4 20221 B12R1.394 OCC(O)CNCC1CC(C1)O 2230a_100016992100_100011219619 [0,1,0,1,0,0|2,0,0]=4 20222 B12R1.394 OCC(O)COCC1CC(C1)Cl 34a_100009874164_100011219619 [0,1,0,1,0,0|2,0,0]=4 20223 B12R1.394 OC[C@H](O)CNCC1CC(C1)O 2230a_100016992100_100009815848 [0,1,0,1,0,0|2,0,0]=4 20224 B12R1.394 OC[C@H](O)COCC1CC(C1)Cl 34a_100009874164_100009815848 [0,1,0,1,0,0|2,0,0]=4 20225 B12R1.394 O[C@@H](CF)COCC1CC(C1)Cl 34a_100009874164_100015614560 [0,1,0,1,0,0|2,0,0]=4 20226 B12R1.430 CCC1CN(C1)CCCC(C)C 2230a_100015205115_100011214892 [0,1,0,1,0,0|2,0,0]=4 20227 B12R1.430 CCC1CN(C1)CCCC(C)C 269982a_100015205115_100011214892 [0,1,0,1,0,0|2,0,0]=4 20228 B12R1.430 CCC1CN(C1)CCCC(C)O 2230a_100015205115_200000718107 [0,1,0,1,0,0|2,0,0]=4 20229 B12R1.430 CCC1CN(C1)CCCC(C)O 269982a_100015205115_200000718107 [0,1,0,1,0,0|2,0,0]=4 20230 B12R1.438 CCC1CCCC(C1)OC(C)C 7a_100011985506_100000210206 [0,1,0,1,0,0|2,0,0]=4 20231 B12R1.534 CC1(CCCN1CC(O)CO)C 2230a_100000761399_100011219619 [0,1,0,1,0,0|2,0,0]=4 20232 B12R1.534 CC1(CCCN1CC(O)CO)C 34a_100000761399_100011219619 [0,1,0,1,0,0|2,0,0]=4 20233 B12R1.534 CC1(CCCN1C[C@@H](O)CF)C 2230a_100000761399_100015614560 [0,1,0,1,0,0|2,0,0]=4 20234 B12R1.534 CC1(CCCN1C[C@@H](O)CF)C 34a_100000761399_100015614560 [0,1,0,1,0,0|2,0,0]=4 20235 B12R1.534 CC1(CCCN1C[C@@H](O)CO)C 2230a_100000761399_100009815848 [0,1,0,1,0,0|2,0,0]=4 20236 B12R1.534 CC1(CCCN1C[C@@H](O)CO)C 34a_100000761399_100009815848 [0,1,0,1,0,0|2,0,0]=4 20237 B12R1.534 CCC(C)CN1CCCC1(C)C 2230a_100000761399_100000748023 [0,1,0,1,0,0|2,0,0]=4 20238 B12R1.534 CCC(C)CN1CCCC1(C)C 269982a_100000761399_100000748023 [0,1,0,1,0,0|2,0,0]=4 20239 B12R1.534 CCC(C)CN1CCCC1(C)C 270004a_100000761399_100000243153 [0,1,0,1,0,0|2,0,0]=4 20240 B12R1.534 CCC(C)CN1CCCC1(C)C 34a_100000761399_100000748023 [0,1,0,1,0,0|2,0,0]=4 20241 B12R1.534 CCC(C)NC1CCCC1(C)C 269862a_100000209981_100000065263 [0,1,0,1,0,0|2,0,0]=4 20242 B12R1.534 CCC(C)N[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000758301 [0,1,0,1,0,0|2,0,0]=4 20243 B12R1.534 CCC(C)N[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100011215416 [0,1,0,1,0,0|2,0,0]=4 20244 B12R1.534 CCC(C)OC1CCCC1(C)C 34a_100000726220_100011215416 [0,1,0,1,0,0|2,0,0]=4 20245 B12R1.534 CCC(C)OC1CCCC1(C)C 7a_100000726220_100000758301 [0,1,0,1,0,0|2,0,0]=4 20246 B12R1.534 CCC(O)CN1CCCC1(C)C 2230a_100000761399_100011218378 [0,1,0,1,0,0|1,0,0]=3 20247 B12R1.534 CCC(O)CN1CCCC1(C)C 269982a_100000761399_100011218378 [0,1,0,1,0,0|1,0,0]=3 20248 B12R1.534 CCC(O)CN1CCCC1(C)C 34a_100000761399_100011218378 [0,1,0,1,0,0|1,0,0]=3 20249 B12R1.534 CCC(O)CN1CCSC1(C)C 2230a_100011217261_100011218378 [0,1,0,1,0,0|2,0,0]=4 20250 B12R1.534 CCC(O)CN1CCSC1(C)C 269982a_100011217261_100011218378 [0,1,0,1,0,0|2,0,0]=4 20251 B12R1.534 CCC(O)CN1CCSC1(C)C 34a_100011217261_100011218378 [0,1,0,1,0,0|2,0,0]=4 20252 B12R1.534 CCC(O)CN1COCC1(C)C 2230a_100000043020_100011218378 [0,1,0,1,0,0|2,0,0]=4 20253 B12R1.534 CCC(O)CN1COCC1(C)C 269982a_100000043020_100011218378 [0,1,0,1,0,0|2,0,0]=4 20254 B12R1.534 CC[C@H](C)CN1CCCC1(C)C 2230a_100000761399_100009816398 [0,1,0,1,0,0|2,0,0]=4 20255 B12R1.534 CC[C@H](C)CN1CCCC1(C)C 269982a_100000761399_100009816398 [0,1,0,1,0,0|2,0,0]=4 20256 B12R1.534 CC[C@H](C)CN1CCCC1(C)C 34a_100000761399_100009816398 [0,1,0,1,0,0|2,0,0]=4 20257 B12R1.1020 C=C(C)CN1CCCC(CC1)O 2230a_100015186869_100000748629 [0,1,0,1,0,0|1,0,1]=4 20258 B12R1.1020 C=C(C)CN1CCCC(CC1)O 269982a_100015186869_100000748629 [0,1,0,1,0,0|1,0,1]=4 20259 B12R1.1020 CC(C)CN1CCCC(CC1)C 2230a_100025706717_100000210760 [0,1,0,1,0,0|2,0,0]=4 20260 B12R1.1020 CC(C)CN1CCCC(CC1)C 269982a_100025706717_100000210624 [0,1,0,1,0,0|2,0,0]=4 20261 B12R1.1020 CC(C)CN1CCCC(CC1)C 270004a_100025706717_100000210432 [0,1,0,1,0,0|2,0,0]=4 20262 B12R1.1020 CC(C)CN1CCCC(CC1)C 34a_100025706717_100000210624 [0,1,0,1,0,0|2,0,0]=4 20263 B12R1.1020 CC(C)CN1CCCC(CC1)O 2230a_100015186869_100000210760 [0,1,0,1,0,0|1,0,0]=3 20264 B12R1.1020 CC(C)CN1CCCC(CC1)O 269982a_100015186869_100000210624 [0,1,0,1,0,0|1,0,0]=3 20265 B12R1.1020 CC(C)CN1CCCC(CC1)O 270004a_100015186869_100000210432 [0,1,0,1,0,0|1,0,0]=3 20266 B12R1.1020 CC(O)CN1CCCC(CC1)C 2230a_100025706717_100011218427 [0,1,0,1,0,0|2,0,0]=4 20267 B12R1.1020 CC(O)CN1CCCC(CC1)C 269982a_100025706717_100011218427 [0,1,0,1,0,0|2,0,0]=4 20268 B12R1.1020 CC(O)CN1CCCC(CC1)C 34a_100025706717_100011218427 [0,1,0,1,0,0|2,0,0]=4 20269 B12R1.1020 CC(O)CN1CCCC(CC1)O 2230a_100015186869_100011218427 [0,1,0,1,0,0|1,0,0]=3 20270 B12R1.1020 CC(O)CN1CCCC(CC1)O 269982a_100015186869_100011218427 [0,1,0,1,0,0|1,0,0]=3 20271 B12R1.1020 CC1CCCN(CC1)C[C@@H](C)O 2230a_100025706717_100009817552 [0,1,0,1,0,0|2,0,0]=4 20272 B12R1.1020 CC1CCCN(CC1)C[C@@H](C)O 269982a_100025706717_100009817552 [0,1,0,1,0,0|2,0,0]=4 20273 B12R1.1020 CC1CCCN(CC1)C[C@@H](C)O 34a_100025706717_100009817552 [0,1,0,1,0,0|2,0,0]=4 20274 B12R1.1020 C[C@@H](O)CN1CCCC(CC1)O 2230a_100015186869_100009817552 [0,1,0,1,0,0|1,0,0]=3 20275 B12R1.1020 C[C@@H](O)CN1CCCC(CC1)O 269982a_100015186869_100009817552 [0,1,0,1,0,0|1,0,0]=3 20276 B12R1.1020 OC1CCCN(CC1)CC(F)F 2230a_100015186869_100011934356 [0,1,0,1,0,0|2,0,0]=4 20277 B12R1.1020 OC1CCCN(CC1)CC(F)F 269982a_100015186869_100011934356 [0,1,0,1,0,0|2,0,0]=4 20278 B12R1.1222 CC(=O)CCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100011215641 [0,1,0,1,0,0|1,0,1]=4 20279 B12R1.1222 CC(C)CCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100011214892 [0,1,0,1,0,0|1,0,0]=3 20280 B12R1.1222 CC(C)CCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100011214892 [0,1,0,1,0,0|1,0,0]=3 20281 B12R1.1222 CC(C)OCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000211751 [0,1,0,1,0,0|2,0,0]=4 20282 B12R1.1222 CC(C)OCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000211751 [0,1,0,1,0,0|2,0,0]=4 20283 B12R1.1222 CC(C)SCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000730970 [0,1,0,1,0,0|2,0,0]=4 20284 B12R1.1222 CC(C)SCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000730970 [0,1,0,1,0,0|2,0,0]=4 20285 B12R1.1222 CC(O)CCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_200000718107 [0,1,0,1,0,0|1,0,0]=3 20286 B12R1.1222 CC(O)CCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_200000718107 [0,1,0,1,0,0|1,0,0]=3 20287 B12R1.1222 C[C@H]1[C@H](CN1CCCN(C)C)O 269982a_206633788156_100000757444 [0,1,0,1,0,0|2,0,0]=4 20288 B12R1.1361 CC(C)CCCCNC1(CC1)C 2230a_100000757604_100011216152 [0,1,0,1,0,0|2,0,0]=4 20289 B12R1.1361 CC(C)CCCCOC1(CC1)C 7a_100011725673_100011216152 [0,1,0,1,0,0|2,0,0]=4 20290 B12R1.1361 CC(C)CCCNCC1(CC1)C 2230a_100000766693_100011214892 [0,1,0,1,0,0|2,0,0]=4 20291 B12R1.1361 CC(C)CCCNCC1(CC1)O 2230a_100011936951_100011214892 [0,1,0,1,0,0|1,0,0]=3 20292 B12R1.1361 CC(C)CCCOCC1(CC1)C 7a_100000698024_100011214892 [0,1,0,1,0,0|2,0,0]=4 20293 B12R1.1361 CC(C)CCCOCC1(CC1)F 34a_200000703853_100011214892 [0,1,0,1,0,0|2,0,0]=4 20294 B12R1.1361 CC(C)CCCOCC1(CC1)F 7a_200000703853_100011214892 [0,1,0,1,0,0|2,0,0]=4 20295 B12R1.1361 CC(C)OCCNCC1(CC1)O 2230a_100011936951_100000211751 [0,1,0,1,0,0|2,0,0]=4 20296 B12R1.1361 CC(C)SCCNCC1(CC1)O 2230a_100011936951_100000730970 [0,1,0,1,0,0|2,0,0]=4 20297 B12R1.1361 CC(O)CCCNCC1(CC1)C 2230a_100000766693_200000718107 [0,1,0,1,0,0|2,0,0]=4 20298 B12R1.1361 CC(O)CCCNCC1(CC1)O 2230a_100011936951_200000718107 [0,1,0,1,0,0|1,0,0]=3 20299 B12R1.1361 CC(O)CCCOCC1(CC1)C 7a_100000698024_200000718107 [0,1,0,1,0,0|2,0,0]=4 20300 B12R1.1361 CC(O)CCCOCC1(CC1)F 34a_200000703853_200000718107 [0,1,0,1,0,0|2,0,0]=4 20301 B12R1.1361 CC(O)CCCOCC1(CC1)F 7a_200000703853_200000718107 [0,1,0,1,0,0|2,0,0]=4 20302 B12R1.1848 CC1(CC1COCC(O)CO)C 34a_100000728257_100011219619 [0,1,0,1,0,0|2,0,0]=4 20303 B12R1.1848 CC1(CC1COCC(O)CO)C 7a_100000728257_100011219619 [0,1,0,1,0,0|2,0,0]=4 20304 B12R1.1848 CC1(CC1COC[C@@H](O)CF)C 34a_100000728257_100015614560 [0,1,0,1,0,0|2,0,0]=4 20305 B12R1.1848 CC1(CC1COC[C@@H](O)CF)C 7a_100000728257_100015614560 [0,1,0,1,0,0|2,0,0]=4 20306 B12R1.1848 CC1(CC1COC[C@@H](O)CO)C 34a_100000728257_100009815848 [0,1,0,1,0,0|2,0,0]=4 20307 B12R1.1848 CC1(CC1COC[C@@H](O)CO)C 7a_100000728257_100009815848 [0,1,0,1,0,0|2,0,0]=4 20308 B12R1.1848 CCC(C)COCC1CC1(C)C 34a_100000728257_100000748023 [0,1,0,1,0,0|2,0,0]=4 20309 B12R1.1848 CCC(C)COCC1CC1(C)C 7a_100000728257_100000748023 [0,1,0,1,0,0|2,0,0]=4 20310 B12R1.1848 CCC(O)CNCC1CC1(F)F 2230a_100011218483_100009817841 [0,1,0,1,0,0|2,0,0]=4 20311 B12R1.1848 CCC(O)COCC1CC1(C)C 34a_100000728257_100011218378 [0,1,0,1,0,0|1,0,0]=3 20312 B12R1.1848 CCC(O)COCC1CC1(C)C 7a_100000728257_100011218378 [0,1,0,1,0,0|1,0,0]=3 20313 B12R1.1848 CCC(O)COCC1CC1(F)F 34a_100000056500_100011218378 [0,1,0,1,0,0|2,0,0]=4 20314 B12R1.1848 CCC(O)COCC1CC1(F)F 7a_100000056500_100011218378 [0,1,0,1,0,0|2,0,0]=4 20315 B12R1.1848 CCC(O)COCC1OC1(C)C 34a_200010283642_100011218378 [0,1,0,1,0,0|2,0,0]=4 20316 B12R1.1848 CCC(O)COCC1OC1(C)C 7a_200010283642_100011218378 [0,1,0,1,0,0|2,0,0]=4 20317 B12R1.1848 CCC(O)CSCC1CC1(F)F 62a_100009817841_100011218378 [0,1,0,1,0,0|2,0,0]=4 20318 B12R1.1848 CCC(O)CSCC1CC1(F)F 62a_100011218378_100009817841 [0,1,0,1,0,0|2,0,0]=4 20319 B12R1.1848 CC[C@H](C)COCC1CC1(C)C 34a_100000728257_100009816398 [0,1,0,1,0,0|2,0,0]=4 20320 B12R1.1848 CC[C@H](C)COCC1CC1(C)C 7a_100000728257_100009816398 [0,1,0,1,0,0|2,0,0]=4 20321 B12R1.83 CCC(CC)N1CCCC1CC 269982a_100000754278_100000210505 [0,1,0,1,0,0|2,0,0]=4 20322 B12R1.83 CCC(CC)N1CCCC1CC 270004a_100000754278_100000210860 [0,1,0,1,0,0|2,0,0]=4 20323 B12R1.83 CCC1CCCC1N(CC)CC 270004a_100000724800_100000749056 [0,1,0,1,0,0|2,0,0]=4 20324 B12R1.118 C#CC(CC)OC1CCCCC1 34a_100000758843_100000210327 [0,1,0,1,0,0|2,0,0]=4 20325 B12R1.118 C#CC(CC)OC1CCCCC1 7a_100000758843_100000210327 [0,1,0,1,0,0|2,0,0]=4 20326 B12R1.118 C=CC(CC)OC1CCCCC1 34a_100000766422_100000210327 [0,1,0,1,0,0|2,0,0]=4 20327 B12R1.118 C=CC(CC)OC1CCCCC1 7a_100000766422_100000210327 [0,1,0,1,0,0|2,0,0]=4 20328 B12R1.118 CCC(CC)NC1CCCCC1 270004a_100000182618_100000210860 [0,1,0,1,0,0|2,0,0]=4 20329 B12R1.118 CCC(CC)NC1CCCCC1 270004a_100000199018_100000210434 [0,1,0,1,0,0|2,0,0]=4 20330 B12R1.118 CCC(CC)OC1CCCCC1 7a_100000210231_100000210505 [0,1,0,1,0,0|2,0,0]=4 20331 B12R1.118 CCC(CC)OC1CCCCC1 7a_100000688536_100000210327 [0,1,0,1,0,0|2,0,0]=4 20332 B12R1.118 CCC(CC)SC1CCCCC1 62a_100000210327_100000210505 [0,1,0,1,0,0|2,0,0]=4 20333 B12R1.118 CCC(CC)SC1CCCCC1 62a_100000210505_100000210327 [0,1,0,1,0,0|2,0,0]=4 20334 B12R1.118 CCN(CC)CC1CCCCC1 2230a_100000724800_100000211423 [0,1,0,1,0,0|2,0,0]=4 20335 B12R1.118 CCN(CC)CC1CCCCC1 269956a_100000042499_100000211423 [0,1,0,1,0,0|2,0,0]=4 20336 B12R1.118 CCN(CC)CC1CCCCC1 269982a_100000724800_100000211423 [0,1,0,1,0,0|2,0,0]=4 20337 B12R1.118 CC[C@@H](CO)NC1CCCCC1 270004a_100000709445_100000210434 [0,1,0,1,0,0|1,0,0]=3 20338 B12R1.118 CC[C@@H](CO)NC1CCCOC1 270004a_100000709445_100000753404 [0,1,0,1,0,0|2,0,0]=4 20339 B12R1.118 CC[C@@H](CO)NC1CCCSC1 270004a_100000709445_100000057913 [0,1,0,1,0,0|2,0,0]=4 20340 B12R1.118 CC[C@@H](CO)NC1CCNCC1 270004a_100000709445_100015192401 [0,1,0,1,0,0|2,0,0]=4 20341 B12R1.118 CC[C@@H](CO)NC1CCOCC1 270004a_100000709445_100011217826 [0,1,0,1,0,0|2,0,0]=4 20342 B12R1.118 CC[C@@H](CO)NC1CCSCC1 270004a_100000709445_100000203788 [0,1,0,1,0,0|2,0,0]=4 20343 B12R1.118 CN[C@H](CO)CC1CCCCC1 2230a_100015184289_200000210301 [0,1,0,1,0,0|1,0,0]=3 20344 B12R1.118 CN[C@H](CO)CC1CCCCC1 34a_100015184289_200000210301 [0,1,0,1,0,0|1,0,0]=3 20345 B12R1.118 [13CH3]N[C@H](CO)CC1CCCCC1 2230a_100015184289_200025704644 [0,1,0,1,0,0|1,0,0]=3 20346 B12R1.118 [13CH3]N[C@H](CO)CC1CCCCC1 34a_100015184289_200025704644 [0,1,0,1,0,0|1,0,0]=3 20347 B12R1.243 CCC(CC)N1CCCCC1C 269982a_100000211376_100000210505 [0,1,0,1,0,0|2,0,0]=4 20348 B12R1.243 CCC(CC)N1CCCCC1C 270004a_100000211376_100000210860 [0,1,0,1,0,0|2,0,0]=4 20349 B12R1.243 CCN(CC)C1CCCCC1C 270004a_100000724800_100000210921 [0,1,0,1,0,0|2,0,0]=4 20350 B12R1.244 CCC(CC)CNCCC1CC1 2230a_100102946423_100000694398 [0,1,0,1,0,0|2,0,0]=4 20351 B12R1.244 CCC(CC)CNCCC1CC1 269862a_100000764129_100000211137 [0,1,0,1,0,0|2,0,0]=4 20352 B12R1.244 CCC(CC)CNCCC1CC1 270004a_100000764129_100000211137 [0,1,0,1,0,0|2,0,0]=4 20353 B12R1.244 CCC(CC)CNCCC1CC1 34a_100000764129_100011215472 [0,1,0,1,0,0|2,0,0]=4 20354 B12R1.244 CCC(CC)COCCC1CC1 34a_100000754188_100011215472 [0,1,0,1,0,0|2,0,0]=4 20355 B12R1.244 CCC(CC)COCCC1CC1 7a_100000703878_100000764125 [0,1,0,1,0,0|2,0,0]=4 20356 B12R1.244 CCC(CC)COCCC1CC1 7a_100000754188_100011215472 [0,1,0,1,0,0|2,0,0]=4 20357 B12R1.244 CCC(CC)CSCCC1CC1 62a_100000764125_100011215472 [0,1,0,1,0,0|2,0,0]=4 20358 B12R1.244 CCC(CC)CSCCC1CC1 62a_100011215472_100000764125 [0,1,0,1,0,0|2,0,0]=4 20359 B12R1.244 CCC(COCCC1CC1)OC 34a_100011934954_100000694398 [0,1,0,1,0,0|1,0,0]=3 20360 B12R1.244 CCC(COCCC1CC1)OC 7a_100011934954_100000764125 [0,1,0,1,0,0|1,0,0]=3 20361 B12R1.244 CCC(COCCC1CO1)OC 34a_100011934954_100000732470 [0,1,0,1,0,0|2,0,0]=4 20362 B12R1.244 CCC(COCCC1CO1)OC 7a_100011934954_100000732470 [0,1,0,1,0,0|2,0,0]=4 20363 B12R1.244 CC[C@@H](CO)NCCCC1CO1 2230a_100000709445_100000733510 [0,1,0,1,0,0|2,0,0]=4 20364 B12R1.244 COC(CCCNC1CC1)OC 34a_100000212008_100000069011 [0,1,0,1,0,0|2,0,0]=4 20365 B12R1.244 COC(CCCSC1CC1)OC 62a_100000069011_100000211595 [0,1,0,1,0,0|2,0,0]=4 20366 B12R1.244 COC(CCNCC1CC1)OC 2230a_100000735609_100009813347 [0,1,0,1,0,0|2,0,0]=4 20367 B12R1.244 COC(CCNCC1CC1)OC 34a_100000735609_100000139399 [0,1,0,1,0,0|2,0,0]=4 20368 B12R1.244 COC(CCOCC1CC1)OC 34a_100000211283_100000139399 [0,1,0,1,0,0|2,0,0]=4 20369 B12R1.244 COC(CCSCC1CC1)OC 62a_100000139399_100000742324 [0,1,0,1,0,0|2,0,0]=4 20370 B12R1.244 COC(CCSCC1CC1)OC 62a_100000756562_100000139399 [0,1,0,1,0,0|2,0,0]=4 20371 B12R1.244 COC(CNCCC1CC1)OC 270004a_100000764129_100000752162 [0,1,0,1,0,0|2,0,0]=4 20372 B12R1.244 COC(CNCCC1CC1)OC 34a_100000764129_100000211822 [0,1,0,1,0,0|2,0,0]=4 20373 B12R1.244 COC(COCCC1CC1)OC 34a_100000754188_100000211822 [0,1,0,1,0,0|2,0,0]=4 20374 B12R1.244 COC(COCCC1CC1)OC 34a_100011216393_100000694398 [0,1,0,1,0,0|2,0,0]=4 20375 B12R1.244 COC(COCCC1CC1)OC 7a_100000754188_100000751394 [0,1,0,1,0,0|2,0,0]=4 20376 B12R1.244 COC(CSCCC1CC1)OC 62a_100000751394_100000764125 [0,1,0,1,0,0|2,0,0]=4 20377 B12R1.244 COC(CSCCC1CC1)OC 62a_100000764125_100000751394 [0,1,0,1,0,0|2,0,0]=4 20378 B12R1.245 COC(CCN1CCC1C)OC 269982a_100000755817_100000139399 [0,1,0,1,0,0|2,0,0]=4 20379 B12R1.245 COC(CCN1CCC1C)OC 34a_100000755817_100000139399 [0,1,0,1,0,0|2,0,0]=4 20380 B12R1.249 CCC(CC)CNCC1CCC1 2230a_100000738700_100011215472 [0,1,0,1,0,0|2,0,0]=4 20381 B12R1.249 CCC(CC)CNCC1CCC1 2230a_100102946423_100000763275 [0,1,0,1,0,0|2,0,0]=4 20382 B12R1.249 CCC(CC)CNCC1CCC1 269862a_100000738700_100000211137 [0,1,0,1,0,0|2,0,0]=4 20383 B12R1.249 CCC(CC)CNCC1CCC1 269862a_100102946423_100000753134 [0,1,0,1,0,0|2,0,0]=4 20384 B12R1.249 CCC(CC)CNCC1CCC1 270004a_100000738700_100000211137 [0,1,0,1,0,0|2,0,0]=4 20385 B12R1.249 CCC(CC)CNCC1CCC1 34a_100000738700_100011215472 [0,1,0,1,0,0|2,0,0]=4 20386 B12R1.249 CCC(CC)COCC1CCC1 34a_100000760304_100011215472 [0,1,0,1,0,0|2,0,0]=4 20387 B12R1.249 CCC(CC)COCC1CCC1 7a_100000703878_100000763275 [0,1,0,1,0,0|2,0,0]=4 20388 B12R1.249 CCC(CC)CSCC1CCC1 62a_100000763275_100011215472 [0,1,0,1,0,0|2,0,0]=4 20389 B12R1.249 CCC(CC)CSCC1CCC1 62a_100011215472_100000763275 [0,1,0,1,0,0|2,0,0]=4 20390 B12R1.249 CCC(CNCC1CCC1)OC 269862a_100000731041_100000753134 [0,1,0,1,0,0|1,0,0]=3 20391 B12R1.249 CCC(COCC1CCC1)OC 34a_100011934954_100000763275 [0,1,0,1,0,0|1,0,0]=3 20392 B12R1.249 CCC(COCC1CCC1)OC 7a_100011934954_100000763275 [0,1,0,1,0,0|1,0,0]=3 20393 B12R1.249 CCC(COCC1CCO1)OC 34a_100011934954_100000103362 [0,1,0,1,0,0|2,0,0]=4 20394 B12R1.249 CCC(COCC1CCO1)OC 7a_100011934954_100000103362 [0,1,0,1,0,0|2,0,0]=4 20395 B12R1.249 CCC(COCC1COC1)OC 34a_100011934954_100010264016 [0,1,0,1,0,0|2,0,0]=4 20396 B12R1.249 CCC(COCC1COC1)OC 7a_100011934954_100010264016 [0,1,0,1,0,0|2,0,0]=4 20397 B12R1.249 COC(CCCN1CCC1)OC 269982a_100000754969_100000069011 [0,1,0,1,0,0|2,0,0]=4 20398 B12R1.249 COC(CCNC1CCC1)OC 2230a_100000749019_100009813347 [0,1,0,1,0,0|2,0,0]=4 20399 B12R1.249 COC(CCNC1CCC1)OC 34a_100000749019_100000139399 [0,1,0,1,0,0|2,0,0]=4 20400 B12R1.249 COC(CCOC1CCC1)OC 34a_100000748187_100000139399 [0,1,0,1,0,0|2,0,0]=4 20401 B12R1.249 COC(CCSC1CCC1)OC 62a_100000139399_100000749161 [0,1,0,1,0,0|2,0,0]=4 20402 B12R1.249 COC(CNCC1CCC1)OC 2230a_100000738700_100000751394 [0,1,0,1,0,0|2,0,0]=4 20403 B12R1.249 COC(CNCC1CCC1)OC 270004a_100000738700_100000752162 [0,1,0,1,0,0|2,0,0]=4 20404 B12R1.249 COC(CNCC1CCC1)OC 34a_100000738700_100000211822 [0,1,0,1,0,0|2,0,0]=4 20405 B12R1.249 COC(COCC1CCC1)OC 34a_100000760304_100000211822 [0,1,0,1,0,0|2,0,0]=4 20406 B12R1.249 COC(COCC1CCC1)OC 34a_100011216393_100000763275 [0,1,0,1,0,0|2,0,0]=4 20407 B12R1.249 COC(CSCC1CCC1)OC 62a_100000751394_100000763275 [0,1,0,1,0,0|2,0,0]=4 20408 B12R1.249 COC(CSCC1CCC1)OC 62a_100000763275_100000751394 [0,1,0,1,0,0|2,0,0]=4 20409 B12R1.251 CCC(CC)CN1CCC[C@@H]1C 2230a_100020605311_100011215472 [0,1,0,1,0,0|2,0,0]=4 20410 B12R1.251 CCC(CC)CN1CCC[C@@H]1C 269982a_100020605311_100011215472 [0,1,0,1,0,0|2,0,0]=4 20411 B12R1.251 CCC(CC)CN1CCC[C@@H]1C 270004a_100020605311_100000211137 [0,1,0,1,0,0|2,0,0]=4 20412 B12R1.251 CCC(CC)CN1CCC[C@H]1C 2230a_100015189458_100011215472 [0,1,0,1,0,0|2,0,0]=4 20413 B12R1.251 CCC(CC)CN1CCC[C@H]1C 269982a_100015189458_100011215472 [0,1,0,1,0,0|2,0,0]=4 20414 B12R1.251 CCC(CC)CN1CCC[C@H]1C 270004a_100015189458_100000211137 [0,1,0,1,0,0|2,0,0]=4 20415 B12R1.251 CCC(CC)CN1CCC[C@H]1C 34a_100015189458_100011215472 [0,1,0,1,0,0|2,0,0]=4 20416 B12R1.251 CCC(CC)NC1CCCC1C 269862a_100000199018_100000752053 [0,1,0,1,0,0|2,0,0]=4 20417 B12R1.251 CCC(CC)OC1CCCC1C 7a_100011216460_100000210505 [0,1,0,1,0,0|2,0,0]=4 20418 B12R1.251 CC[C@@H](CO)NC1CCCC1C 269862a_100000709445_100000752053 [0,1,0,1,0,0|1,0,0]=3 20419 B12R1.251 CC[C@@H](CO)NC1CCOC1C 270004a_100000709445_100000691750 [0,1,0,1,0,0|2,0,0]=4 20420 B12R1.251 COC(CN1CCC[C@@H]1C)OC 2230a_100020605311_100000751394 [0,1,0,1,0,0|2,0,0]=4 20421 B12R1.251 COC(CN1CCC[C@@H]1C)OC 270004a_100020605311_100000752162 [0,1,0,1,0,0|2,0,0]=4 20422 B12R1.251 COC(CN1CCC[C@H]1C)OC 2230a_100015189458_100000751394 [0,1,0,1,0,0|2,0,0]=4 20423 B12R1.251 COC(CN1CCC[C@H]1C)OC 270004a_100015189458_100000752162 [0,1,0,1,0,0|2,0,0]=4 20424 B12R1.251 COC(CN1CCC[C@H]1C)OC 34a_100015189458_100000211822 [0,1,0,1,0,0|2,0,0]=4 20425 B12R1.297 C#CC(CC)OCC1CCCC1 34a_100000758843_100000740388 [0,1,0,1,0,0|2,0,0]=4 20426 B12R1.297 C#CC(CC)OCC1CCCC1 7a_100000758843_100000740388 [0,1,0,1,0,0|2,0,0]=4 20427 B12R1.297 C=CC(CC)OCC1CCCC1 34a_100000766422_100000740388 [0,1,0,1,0,0|2,0,0]=4 20428 B12R1.297 C=CC(CC)OCC1CCCC1 7a_100000766422_100000740388 [0,1,0,1,0,0|2,0,0]=4 20429 B12R1.297 CCC(CC)CNC1CCCC1 2230a_100000211070_100011215472 [0,1,0,1,0,0|2,0,0]=4 20430 B12R1.297 CCC(CC)CNC1CCCC1 2230a_100102946423_100000179811 [0,1,0,1,0,0|2,0,0]=4 20431 B12R1.297 CCC(CC)CNC1CCCC1 269862a_100000211070_100000211137 [0,1,0,1,0,0|2,0,0]=4 20432 B12R1.297 CCC(CC)CNC1CCCC1 270004a_100000211070_100000211137 [0,1,0,1,0,0|2,0,0]=4 20433 B12R1.297 CCC(CC)CNC1CCCC1 270004a_100102946423_100000210133 [0,1,0,1,0,0|2,0,0]=4 20434 B12R1.297 CCC(CC)CNC1CCCC1 34a_100000211070_100011215472 [0,1,0,1,0,0|2,0,0]=4 20435 B12R1.297 CCC(CC)COC1CCCC1 34a_100000210269_100011215472 [0,1,0,1,0,0|2,0,0]=4 20436 B12R1.297 CCC(CC)COC1CCCC1 7a_100000210269_100011215472 [0,1,0,1,0,0|2,0,0]=4 20437 B12R1.297 CCC(CC)COC1CCCC1 7a_100000703878_100000179811 [0,1,0,1,0,0|2,0,0]=4 20438 B12R1.297 CCC(CC)CSC1CCCC1 62a_100011215472_100000179811 [0,1,0,1,0,0|2,0,0]=4 20439 B12R1.297 CCC(CC)CSC1CCCC1 62a_100011217020_100011215472 [0,1,0,1,0,0|2,0,0]=4 20440 B12R1.297 CCC(CC)NCC1CCCC1 2230a_100000199018_100000740388 [0,1,0,1,0,0|2,0,0]=4 20441 B12R1.297 CCC(CC)NCC1CCCC1 269862a_100000199018_100000746403 [0,1,0,1,0,0|2,0,0]=4 20442 B12R1.297 CCC(CC)NCC1CCCC1 270004a_100000737975_100000210860 [0,1,0,1,0,0|2,0,0]=4 20443 B12R1.297 CCC(CC)OCC1CCCC1 7a_100000688536_100000740388 [0,1,0,1,0,0|2,0,0]=4 20444 B12R1.297 CCC(CC)OCC1CCCC1 7a_100000742336_100000210505 [0,1,0,1,0,0|2,0,0]=4 20445 B12R1.297 CCC(CC)SCC1CCCC1 62a_100000210505_100000740388 [0,1,0,1,0,0|2,0,0]=4 20446 B12R1.297 CCC(CC)SCC1CCCC1 62a_100000740388_100000210505 [0,1,0,1,0,0|2,0,0]=4 20447 B12R1.297 CCC(CNC1CCCC1)OC 270004a_100000731041_100000210133 [0,1,0,1,0,0|1,0,0]=3 20448 B12R1.297 CCC(CNC1CCOC1)OC 270004a_100000731041_100000752484 [0,1,0,1,0,0|2,0,0]=4 20449 B12R1.297 CCC(CNC1CCSC1)OC 270004a_100000731041_100000212027 [0,1,0,1,0,0|2,0,0]=4 20450 B12R1.297 CCC(COC1CCCC1)OC 34a_100011934954_100000179811 [0,1,0,1,0,0|1,0,0]=3 20451 B12R1.297 CCC(COC1CCCC1)OC 7a_100011934954_100000179811 [0,1,0,1,0,0|1,0,0]=3 20452 B12R1.297 CCC(COC1CCOC1)OC 34a_100011934954_100000690089 [0,1,0,1,0,0|2,0,0]=4 20453 B12R1.297 CCC(COC1CCOC1)OC 7a_100011934954_100000731011 [0,1,0,1,0,0|2,0,0]=4 20454 B12R1.297 CCN(CC)CCC1CCCC1 2230a_100000724800_100000760354 [0,1,0,1,0,0|2,0,0]=4 20455 B12R1.297 CCN(CC)CCC1CCCC1 269956a_100000042499_100000760354 [0,1,0,1,0,0|2,0,0]=4 20456 B12R1.297 CCN(CC)CCC1CCCC1 269982a_100000724800_100000760354 [0,1,0,1,0,0|2,0,0]=4 20457 B12R1.297 CC[C@@H](CO)NCC1CCCC1 2230a_100000709445_100000740388 [0,1,0,1,0,0|1,0,0]=3 20458 B12R1.297 CC[C@@H](CO)NCC1CCCC1 269862a_100000709445_100000746403 [0,1,0,1,0,0|1,0,0]=3 20459 B12R1.297 CC[C@@H](CO)NCC1CCCO1 2230a_100000709445_100000203698 [0,1,0,1,0,0|2,0,0]=4 20460 B12R1.297 CC[C@@H](CO)NCC1CCOC1 2230a_100000709445_100000702531 [0,1,0,1,0,0|2,0,0]=4 20461 B12R1.297 COC(CCN1CCCC1)OC 2230a_100000188435_100009813347 [0,1,0,1,0,0|2,0,0]=4 20462 B12R1.297 COC(CCN1CCCC1)OC 269982a_100000188435_100000139399 [0,1,0,1,0,0|2,0,0]=4 20463 B12R1.297 COC(CNC1CCCC1)OC 2230a_100000211070_100000751394 [0,1,0,1,0,0|2,0,0]=4 20464 B12R1.297 COC(CNC1CCCC1)OC 270004a_100000210479_100000210133 [0,1,0,1,0,0|2,0,0]=4 20465 B12R1.297 COC(CNC1CCCC1)OC 270004a_100000211070_100000752162 [0,1,0,1,0,0|2,0,0]=4 20466 B12R1.297 COC(CNC1CCCC1)OC 34a_100000211070_100000211822 [0,1,0,1,0,0|2,0,0]=4 20467 B12R1.297 COC(COC1CCCC1)OC 34a_100000210269_100000211822 [0,1,0,1,0,0|2,0,0]=4 20468 B12R1.297 COC(COC1CCCC1)OC 34a_100011216393_100000179811 [0,1,0,1,0,0|2,0,0]=4 20469 B12R1.297 COC(COC1CCCC1)OC 7a_100000210269_100000751394 [0,1,0,1,0,0|2,0,0]=4 20470 B12R1.297 COC(CSC1CCCC1)OC 62a_100000751394_100000179811 [0,1,0,1,0,0|2,0,0]=4 20471 B12R1.297 COC(CSC1CCCC1)OC 62a_100011217020_100000751394 [0,1,0,1,0,0|2,0,0]=4 20472 B12R1.297 OCC(CO)NCC1CCCC1 2230a_100000759517_100000740388 [0,1,0,1,0,0|2,0,0]=4 20473 B12R1.1082 CCC1(CCCN1CCF)CO 2230a_100000708151_100011217306 [0,1,0,1,0,0|2,0,0]=4 20474 B12R1.1082 CCC1(CCCN1CCF)CO 269982a_100000708151_100011217306 [0,1,0,1,0,0|2,0,0]=4 20475 B12R1.1082 CCC1(CCCN1CCO)CO 2230a_100000708151_100000211926 [0,1,0,1,0,0|2,0,0]=4 20476 B12R1.1082 CCC1(CCCN1CCO)CO 269982a_100000708151_100000211926 [0,1,0,1,0,0|2,0,0]=4 20477 B12R1.1082 CCC1(CCCN1COC)CO 2230a_100000708151_100000766300 [0,1,0,1,0,0|2,0,0]=4 20478 B12R1.1082 CCC1(CCCN1COC)CO 269982a_100000708151_100000766300 [0,1,0,1,0,0|2,0,0]=4 20479 B12R1.1082 CCC1(CCCN1CSC)CO 2230a_100000708151_100011218213 [0,1,0,1,0,0|2,0,0]=4 20480 B12R1.1082 CCC1(CCCN1CSC)CO 269982a_100000708151_100011218213 [0,1,0,1,0,0|2,0,0]=4 20481 B12R1.1082 CCCN1CCCC1(CC)CO 2230a_100000708151_100000210303 [0,1,0,1,0,0|1,0,0]=3 20482 B12R1.1082 CCCN1CCCC1(CC)CO 269982a_100000708151_100000210303 [0,1,0,1,0,0|1,0,0]=3 20483 B12R1.1143 CCCN1CCCC(CC1)CC 2230a_100000757272_100000210303 [0,1,0,1,0,0|2,0,0]=4 20484 B12R1.1143 CCCN1CCCC(CC1)CC 269982a_100000757272_100000210303 [0,1,0,1,0,0|2,0,0]=4 20485 B12R1.1143 CCCN1CCCC(CC1)CC 34a_100000757272_100000210303 [0,1,0,1,0,0|2,0,0]=4 20486 B12R1.1143 CCCN1CCCC(CC1)OC 2230a_100016993962_100000210303 [0,1,0,1,0,0|1,0,0]=3 20487 B12R1.1143 CCCN1CCCC(CC1)OC 269982a_100016993962_100000210303 [0,1,0,1,0,0|1,0,0]=3 20488 B12R1.1143 CCCN1CCCC(CC1)OC 34a_100016993962_100000210303 [0,1,0,1,0,0|1,0,0]=3 20489 B12R1.1143 COC1CCCN(CC1)CCF 2230a_100016993962_100011217306 [0,1,0,1,0,0|2,0,0]=4 20490 B12R1.1143 COC1CCCN(CC1)CCF 269982a_100016993962_100011217306 [0,1,0,1,0,0|2,0,0]=4 20491 B12R1.1143 COC1CCCN(CC1)CCF 34a_100016993962_100011217306 [0,1,0,1,0,0|2,0,0]=4 20492 B12R1.1143 COC1CCCN(CC1)CCO 2230a_100016993962_100000211926 [0,1,0,1,0,0|2,0,0]=4 20493 B12R1.1143 COC1CCCN(CC1)CCO 269982a_100016993962_100000211926 [0,1,0,1,0,0|2,0,0]=4 20494 B12R1.1143 COC1CCCN(CC1)CCO 34a_100016993962_100000211926 [0,1,0,1,0,0|2,0,0]=4 20495 B12R1.1143 COC1CCCN(CC1)CSC 2230a_100016993962_100011218213 [0,1,0,1,0,0|2,0,0]=4 20496 B12R1.1143 COC1CCCN(CC1)CSC 269982a_100016993962_100011218213 [0,1,0,1,0,0|2,0,0]=4 20497 B12R1.1143 COC1CCCN(CC1)CSC 34a_100016993962_100011218213 [0,1,0,1,0,0|2,0,0]=4 20498 B12R1.1143 COCN1CCCC(CC1)OC 2230a_100016993962_100000766300 [0,1,0,1,0,0|2,0,0]=4 20499 B12R1.1143 COCN1CCCC(CC1)OC 269982a_100016993962_100000766300 [0,1,0,1,0,0|2,0,0]=4 20500 B12R1.1287 CCC(CC)N1CCCCCC1 269982a_100000185865_100000210505 [0,1,0,1,0,0|2,0,0]=4 20501 B12R1.1287 CCC(CC)N1CCCCCC1 270004a_100000185865_100000210860 [0,1,0,1,0,0|2,0,0]=4 20502 B12R1.1287 CCN(CC)C1CCCCCC1 2230a_114901603759_100000210202 [0,1,0,1,0,0|2,0,0]=4 20503 B12R1.1287 CCN(CC)C1CCCCCC1 269956a_100000042499_100011217769 [0,1,0,1,0,0|2,0,0]=4 20504 B12R1.1287 CCN(CC)C1CCCCCC1 269982a_100000724800_100011217769 [0,1,0,1,0,0|2,0,0]=4 20505 B12R1.1287 CCN(CC)C1CCCCCC1 269982a_114901603759_100000204670 [0,1,0,1,0,0|2,0,0]=4 20506 B12R1.1287 CCN(CC)C1CCCCCC1 270004a_100000724800_100000210131 [0,1,0,1,0,0|2,0,0]=4 20507 B12R1.1287 CCN(CC)C1CCCCCC1 34a_114901603759_100000210202 [0,1,0,1,0,0|2,0,0]=4 20508 B12R1.1287 CCN(CF)C1CCCCCC1 269982a_114901603759_100015361967 [0,1,0,1,0,0|2,0,0]=4 20509 B12R1.1287 CCN(CF)C1CCCCCC1 34a_114901603759_100015361967 [0,1,0,1,0,0|2,0,0]=4 20510 B12R1.1533 CCC(CC)COCC1CC1C 34a_100000744939_100011215472 [0,1,0,1,0,0|2,0,0]=4 20511 B12R1.1533 CCC(CC)COCC1CC1C 7a_100000744939_100011215472 [0,1,0,1,0,0|2,0,0]=4 20512 B12R1.1533 COC(COCC1CC1C)OC 34a_100000744939_100000211822 [0,1,0,1,0,0|2,0,0]=4 20513 B12R1.1533 COC(COCC1CC1C)OC 7a_100000744939_100000751394 [0,1,0,1,0,0|2,0,0]=4 20514 B12R1.34 CCC(=O)C(C)C1CCCCC1 1458a_100011435303_100000210202 [0,1,0,1,0,0|0,0,2]=4 20515 B12R1.34 CCC(=O)C(O)C1CCCCC1 1458a_100000242593_100000210202 [0,1,0,1,0,0|0,0,2]=4 20516 B12R1.34 CCC(C)C(=O)C1CCCCC1 1458a_100000210647_100000758301 [0,1,0,1,0,0|1,0,1]=4 20517 B12R1.34 CCC(C)C(=O)C1CCCCC1 1458a_100011192722_100000210327 [0,1,0,1,0,0|1,0,1]=4 20518 B12R1.34 CCC(C)N(C)C1CCCCC1 2230a_100000207522_100000758301 [0,1,0,1,0,0|2,0,0]=4 20519 B12R1.34 CCC(C)N(C)C1CCCCC1 269982a_100000207522_100000758301 [0,1,0,1,0,0|2,0,0]=4 20520 B12R1.34 CCC(C)N(C)C1CCCCC1 269982a_100000741768_100000210327 [0,1,0,1,0,0|2,0,0]=4 20521 B12R1.34 CCC(C)N(C)C1CCCCC1 270004a_100000741768_100000210434 [0,1,0,1,0,0|2,0,0]=4 20522 B12R1.34 CCC(C)N(C)C1CCCCC1 34a_100000207522_100011215416 [0,1,0,1,0,0|2,0,0]=4 20523 B12R1.34 CCC(O)C(=O)C1CCCCC1 1458a_100011196387_100000210327 [0,1,0,1,0,0|0,0,1]=3 20524 B12R1.34 CCC(O)C(=O)C1CCCOC1 1458a_100011196387_100000693364 [0,1,0,1,0,0|1,0,1]=4 20525 B12R1.34 CCC(O)C(=O)C1CCOCC1 1458a_100011196387_100011324220 [0,1,0,1,0,0|1,0,1]=4 20526 B12R1.34 O=C(C(O)CO)C1CCCCC1 1458a_100011215603_100000210327 [0,1,0,1,0,0|1,0,1]=4 20527 B12R1.108 CCC(C)C(=O)CC1CCCC1 1458a_100000210891_100000758301 [0,1,0,1,0,0|1,0,1]=4 20528 B12R1.108 CCC(C)C(=O)CC1CCCC1 1458a_100011192722_100000740388 [0,1,0,1,0,0|1,0,1]=4 20529 B12R1.108 CCC(C)C(C)NC1CCCC1 269862a_100000211070_100000210599 [0,1,0,1,0,0|2,0,0]=4 20530 B12R1.108 CCC(C)C(C)NC1CCCC1 270004a_100000211070_100000210599 [0,1,0,1,0,0|2,0,0]=4 20531 B12R1.108 CCC(C)C(C)OC1CCCC1 7a_100011215189_100000179811 [0,1,0,1,0,0|2,0,0]=4 20532 B12R1.108 CCC(C)N(C)CC1CCCC1 2230a_100000741768_100000740388 [0,1,0,1,0,0|2,0,0]=4 20533 B12R1.108 CCC(C)N(C)CC1CCCC1 269982a_100000741768_100000740388 [0,1,0,1,0,0|2,0,0]=4 20534 B12R1.108 CCC(O)C(=O)CC1CCCC1 1458a_100011196387_100000740388 [0,1,0,1,0,0|0,0,1]=3 20535 B12R1.108 CCC(O)C(=O)CC1CCCO1 1458a_100011196387_100000203698 [0,1,0,1,0,0|1,0,1]=4 20536 B12R1.108 CCC(O)C(=O)CC1CCOC1 1458a_100011196387_100000702531 [0,1,0,1,0,0|1,0,1]=4 20537 B12R1.108 CCC(O)C(=O)NC1CCCC1 240690a_100000211070_100011196387 [0,1,0,1,0,0|1,0,1]=4 20538 B12R1.108 O=C(CC1CCCC1)C(O)CO 1458a_100011215603_100000740388 [0,1,0,1,0,0|1,0,1]=4 20539 B12R1.468 CCC(C)C(=O)C1CCCC1C 1458a_100000690547_100000758301 [0,1,0,1,0,0|1,0,1]=4 20540 B12R1.468 CCC(C)C(C)N1CCC[C@@H]1C 270004a_100020605311_100000210599 [0,1,0,1,0,0|2,0,0]=4 20541 B12R1.468 CCC(C)C(C)N1CCC[C@H]1C 270004a_100015189458_100000210599 [0,1,0,1,0,0|2,0,0]=4 20542 B12R1.468 CCC(O)C(=O)N1CCC[C@@H]1C 240690a_100020605311_100011196387 [0,1,0,1,0,0|1,0,1]=4 20543 B12R1.468 CCC(O)C(=O)N1CCC[C@H]1C 240690a_100015189458_100011196387 [0,1,0,1,0,0|1,0,1]=4 20544 B12R1.470 CCC(C)C(C)NCC1CCC1 269862a_100000738700_100000210599 [0,1,0,1,0,0|2,0,0]=4 20545 B12R1.470 CCC(C)C(C)NCC1CCC1 270004a_100000738700_100000210599 [0,1,0,1,0,0|2,0,0]=4 20546 B12R1.470 CCC(C)C(C)OCC1CCC1 7a_100011215189_100000763275 [0,1,0,1,0,0|2,0,0]=4 20547 B12R1.470 CCC(O)C(=O)NCC1CCC1 240690a_100000738700_100011196387 [0,1,0,1,0,0|1,0,1]=4 20548 B12R1.471 CCC(C)C(C)NCCC1CC1 269862a_100000764129_100000210599 [0,1,0,1,0,0|2,0,0]=4 20549 B12R1.471 CCC(C)C(C)NCCC1CC1 270004a_100000764129_100000210599 [0,1,0,1,0,0|2,0,0]=4 20550 B12R1.471 CCC(C)C(C)OCCC1CC1 7a_100011215189_100000764125 [0,1,0,1,0,0|2,0,0]=4 20551 B12R1.471 CCC(O)C(=O)CCCC1CO1 1458a_100011196387_100000733510 [0,1,0,1,0,0|1,0,1]=4 20552 B12R1.471 CCC(O)C(=O)NCCC1CC1 240690a_100000764129_100011196387 [0,1,0,1,0,0|1,0,1]=4 20553 B12R1.561 CCCCCCC(=O)C1CCC1 1458a_100000209988_100000210757 [0,1,0,1,0,0|1,0,1]=4 20554 B12R1.561 CCCCCCC(=O)C1CCC1 1458a_100102632555_100000749161 [0,1,0,1,0,0|1,0,1]=4 20555 B12R1.561 CCCCCCC(=O)C1CCO1 1458a_100000089072_100000210757 [0,1,0,1,0,0|0,0,1]=3 20556 B12R1.561 CCCCCCC(C)N1CCC1 269982a_100000754969_100011215978 [0,1,0,1,0,0|2,0,0]=4 20557 B12R1.561 CCCCCCN(C)C1CCC1 2230a_100000758072_100000210314 [0,1,0,1,0,0|2,0,0]=4 20558 B12R1.561 CCCCCCN(C)C1CCC1 269982a_100000758072_100000210757 [0,1,0,1,0,0|2,0,0]=4 20559 B12R1.561 CCCCCCN(C)C1CCC1 269982a_106256046315_100000749161 [0,1,0,1,0,0|2,0,0]=4 20560 B12R1.561 CCCCCCN(C)C1CCC1 270004a_106256046315_100000241760 [0,1,0,1,0,0|2,0,0]=4 20561 B12R1.561 CCCCCCN(C)C1CCC1 34a_100000758072_100000210314 [0,1,0,1,0,0|2,0,0]=4 20562 B12R1.561 CCCCCNC(=O)C1CCO1 11a_100000209983_100000089072 [0,1,0,1,0,0|1,0,1]=4 20563 B12R1.561 CCCCCNC(=O)C1CCO1 1626a_100000209983_100000089072 [0,1,0,1,0,0|1,0,1]=4 20564 B12R1.561 CCCCCNC(=O)C1CCO1 240690a_100000209983_100000089072 [0,1,0,1,0,0|1,0,1]=4 20565 B12R1.561 CCCCCNC(=O)C1CCO1 527a_100000209983_100000089072 [0,1,0,1,0,0|1,0,1]=4 20566 B12R1.561 CCCCCNC(C)C1CCC1 2230a_100016994624_100000210326 [0,1,0,1,0,0|2,0,0]=4 20567 B12R1.561 CCCCCNC(C)C1CCC1 269862a_100000209983_100000760154 [0,1,0,1,0,0|2,0,0]=4 20568 B12R1.561 CCCCCNC(C)C1CCC1 34a_100016994624_100000718602 [0,1,0,1,0,0|2,0,0]=4 20569 B12R1.561 CCCCCOC(C)C1CCC1 34a_100000766398_100000718602 [0,1,0,1,0,0|2,0,0]=4 20570 B12R1.561 CCCCCOC(C)C1CCC1 7a_100000766398_100000210326 [0,1,0,1,0,0|2,0,0]=4 20571 B12R1.561 CCCCOCC(=O)C1CCO1 1458a_100000089072_100011995733 [0,1,0,1,0,0|1,0,1]=4 20572 B12R1.561 CCCOCCC(=O)C1CCO1 1458a_100000089072_100011215938 [0,1,0,1,0,0|1,0,1]=4 20573 B12R1.561 CCOCCCC(=O)C1CCO1 1458a_100000089072_100012232248 [0,1,0,1,0,0|1,0,1]=4 20574 B12R1.561 COCCCCC(=O)C1CCO1 1458a_100000089072_100000755781 [0,1,0,1,0,0|1,0,1]=4 20575 B12R1.561 O=C(CCCCCF)C1CCO1 1458a_100000089072_100000729378 [0,1,0,1,0,0|1,0,1]=4 20576 B12R1.561 O=C(CCCCCO)C1CCO1 1458a_100000089072_100000746330 [0,1,0,1,0,0|1,0,1]=4 20577 B12R1.562 CCCCCCC(=O)C1(CC1)C 1458a_100000756474_100000210757 [0,1,0,1,0,0|1,0,1]=4 20578 B12R1.562 CCCCCCC(=O)C1(CC1)F 1458a_100000055089_100000210757 [0,1,0,1,0,0|1,0,1]=4 20579 B12R1.562 CCCCCCC(=O)C1(CC1)O 1458a_100000241761_100000210757 [0,1,0,1,0,0|0,0,1]=3 20580 B12R1.562 CCCCCNC(=O)C1(CC1)O 240690a_100000209983_100000241761 [0,1,0,1,0,0|1,0,1]=4 20581 B12R1.562 CCCCCNC(C)C1(CC1)C 269862a_100000209983_100000184723 [0,1,0,1,0,0|2,0,0]=4 20582 B12R1.562 CCCCCNC(C)C1(CC1)F 269862a_100000209983_100000052362 [0,1,0,1,0,0|2,0,0]=4 20583 B12R1.562 CCCCOCC(=O)C1(CC1)O 1458a_100000241761_100011995733 [0,1,0,1,0,0|1,0,1]=4 20584 B12R1.562 CCCOCCC(=O)C1(CC1)O 1458a_100000241761_100011215938 [0,1,0,1,0,0|1,0,1]=4 20585 B12R1.562 CCOCCCC(=O)C1(CC1)O 1458a_100000241761_100012232248 [0,1,0,1,0,0|1,0,1]=4 20586 B12R1.562 COCCCCC(=O)C1(CC1)O 1458a_100000241761_100000755781 [0,1,0,1,0,0|1,0,1]=4 20587 B12R1.562 O=C(CCCCCF)C1(CC1)O 1458a_100000241761_100000729378 [0,1,0,1,0,0|1,0,1]=4 20588 B12R1.562 O=C(CCCCCO)C1(CC1)O 1458a_100000241761_100000746330 [0,1,0,1,0,0|1,0,1]=4 20589 B12R1.2563 CCCCCCC(=O)C1CC1C 1458a_100000211227_100000210757 [0,1,0,1,0,0|1,0,1]=4 20590 B12R1.15 CCC(C)CC(=O)C1CCCC1 1458a_100000210718_100000748023 [0,1,0,1,0,0|1,0,1]=4 20591 B12R1.15 CCC(C)CC(=O)C1CCCC1 1458a_100000708755_100000179811 [0,1,0,1,0,0|1,0,1]=4 20592 B12R1.15 CCC(C)CC(C)N1CCCC1 270004a_100000188435_100011710205 [0,1,0,1,0,0|2,0,0]=4 20593 B12R1.15 CCC(C)CN(C)C1CCCC1 2230a_100000207505_100000748023 [0,1,0,1,0,0|2,0,0]=4 20594 B12R1.15 CCC(C)CN(C)C1CCCC1 2230a_100000753921_100000179811 [0,1,0,1,0,0|2,0,0]=4 20595 B12R1.15 CCC(C)CN(C)C1CCCC1 269982a_100000207505_100000748023 [0,1,0,1,0,0|2,0,0]=4 20596 B12R1.15 CCC(C)CN(C)C1CCCC1 269982a_100000753921_100000179811 [0,1,0,1,0,0|2,0,0]=4 20597 B12R1.15 CCC(C)CN(C)C1CCCC1 270004a_100000207505_100000243153 [0,1,0,1,0,0|2,0,0]=4 20598 B12R1.15 CCC(C)CN(C)C1CCCC1 270004a_100000753921_100000210133 [0,1,0,1,0,0|2,0,0]=4 20599 B12R1.15 CCC(C)CN(C)C1CCCC1 34a_100000207505_100000748023 [0,1,0,1,0,0|2,0,0]=4 20600 B12R1.15 CCC(C)NC(C)C1CCCC1 2230a_100015185923_100000758301 [0,1,0,1,0,0|2,0,0]=4 20601 B12R1.15 CCC(C)NC(C)C1CCCC1 269862a_100000209981_100000749594 [0,1,0,1,0,0|2,0,0]=4 20602 B12R1.15 CCC(C)NC(C)C1CCCC1 270004a_100000209981_100000749594 [0,1,0,1,0,0|2,0,0]=4 20603 B12R1.15 CCC(C)NC(C)C1CCCC1 34a_100015185923_100011215416 [0,1,0,1,0,0|2,0,0]=4 20604 B12R1.15 CCC(C)OC(C)C1CCCC1 34a_100011216366_100011215416 [0,1,0,1,0,0|2,0,0]=4 20605 B12R1.15 CCC(C)OC(C)C1CCCC1 7a_100011216366_100000758301 [0,1,0,1,0,0|2,0,0]=4 20606 B12R1.15 CCC(O)CC(=O)C1CCCC1 1458a_100000210718_100011218378 [0,1,0,1,0,0|0,0,1]=3 20607 B12R1.15 CCC(O)CC(=O)C1CCCC1 1458a_100011667805_100000179811 [0,1,0,1,0,0|0,0,1]=3 20608 B12R1.15 CCC(O)CC(=O)C1CCCS1 1458a_100012002731_100011218378 [0,1,0,1,0,0|1,0,1]=4 20609 B12R1.15 CCC(O)CC(=O)C1CCOC1 1458a_100011219752_100011218378 [0,1,0,1,0,0|1,0,1]=4 20610 B12R1.15 CCC(O)CC(=O)C1CCOC1 1458a_100011667805_100000690089 [0,1,0,1,0,0|1,0,1]=4 20611 B12R1.15 CCC(O)CC(=O)N1CCCC1 240690a_100000188435_100011667805 [0,1,0,1,0,0|1,0,1]=4 20612 B12R1.15 CCC(O)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100011218378 [0,1,0,1,0,0|1,0,1]=4 20613 B12R1.15 CCC(O)CN(C)C1CCCC1 2230a_100000207505_100011218378 [0,1,0,1,0,0|1,0,0]=3 20614 B12R1.15 CCC(O)CN(C)C1CCCC1 269982a_100000207505_100011218378 [0,1,0,1,0,0|1,0,0]=3 20615 B12R1.15 CCC(O)CN(C)C1CCCC1 34a_100000207505_100011218378 [0,1,0,1,0,0|1,0,0]=3 20616 B12R1.15 CCC(O)CN(C)C1CCOC1 2230a_100016988252_100011218378 [0,1,0,1,0,0|2,0,0]=4 20617 B12R1.15 CCC(O)CN(C)C1CCOC1 269982a_100016988252_100011218378 [0,1,0,1,0,0|2,0,0]=4 20618 B12R1.15 CCC(O)CN(C)C1CCOC1 34a_100016988252_100011218378 [0,1,0,1,0,0|2,0,0]=4 20619 B12R1.15 CC[C@H](C)CC(=O)C1CCCC1 1458a_100000210718_100009816398 [0,1,0,1,0,0|1,0,1]=4 20620 B12R1.15 CC[C@H](C)CN(C)C1CCCC1 2230a_100000207505_100009816398 [0,1,0,1,0,0|2,0,0]=4 20621 B12R1.15 CC[C@H](C)CN(C)C1CCCC1 269982a_100000207505_100009816398 [0,1,0,1,0,0|2,0,0]=4 20622 B12R1.15 CC[C@H](C)CN(C)C1CCCC1 34a_100000207505_100009816398 [0,1,0,1,0,0|2,0,0]=4 20623 B12R1.15 CN(CC(O)CO)C1CCCC1 2230a_100000207505_100011219619 [0,1,0,1,0,0|2,0,0]=4 20624 B12R1.15 CN(CC(O)CO)C1CCCC1 2230a_100011216503_100000179811 [0,1,0,1,0,0|2,0,0]=4 20625 B12R1.15 CN(CC(O)CO)C1CCCC1 269982a_100011216503_100000179811 [0,1,0,1,0,0|2,0,0]=4 20626 B12R1.15 CN(CC(O)CO)C1CCCC1 270004a_100011216503_100000210133 [0,1,0,1,0,0|2,0,0]=4 20627 B12R1.15 CN(CC(O)CO)C1CCCC1 34a_100000207505_100011219619 [0,1,0,1,0,0|2,0,0]=4 20628 B12R1.15 CN(C[C@@H](O)CF)C1CCCC1 2230a_100000207505_100015614560 [0,1,0,1,0,0|2,0,0]=4 20629 B12R1.15 CN(C[C@@H](O)CF)C1CCCC1 34a_100000207505_100015614560 [0,1,0,1,0,0|2,0,0]=4 20630 B12R1.15 CN(C[C@@H](O)CO)C1CCCC1 2230a_100000207505_100009815848 [0,1,0,1,0,0|2,0,0]=4 20631 B12R1.15 CN(C[C@@H](O)CO)C1CCCC1 34a_100000207505_100009815848 [0,1,0,1,0,0|2,0,0]=4 20632 B12R1.177 CCC(O)CN1CC(C1)COC 2230a_100016993750_100011218378 [0,1,0,1,0,0|2,0,0]=4 20633 B12R1.177 CCC(O)CN1CC(C1)COC 269982a_100016993750_100011218378 [0,1,0,1,0,0|2,0,0]=4 20634 B12R1.177 CCC(O)CN1CC(C1)COC 34a_100016993750_100011218378 [0,1,0,1,0,0|2,0,0]=4 20635 B12R1.177 CCOC1CN(C1)CC(O)CC 269982a_100000732654_100011218378 [0,1,0,1,0,0|2,0,0]=4 20636 B12R1.177 CCOC1CN(C1)CC(O)CC 34a_100000732654_100011218378 [0,1,0,1,0,0|2,0,0]=4 20637 B12R1.304 CCC(C)CC(=O)CC1CCC1 1458a_100000708755_100000763275 [0,1,0,1,0,0|1,0,1]=4 20638 B12R1.304 CCC(C)CC(=O)CC1CCC1 1458a_100000763092_100000748023 [0,1,0,1,0,0|1,0,1]=4 20639 B12R1.304 CCC(C)CC(C)NC1CCC1 270004a_100000763565_100000241760 [0,1,0,1,0,0|2,0,0]=4 20640 B12R1.304 CCC(C)CN(C)CC1CCC1 2230a_100000753921_100000763275 [0,1,0,1,0,0|2,0,0]=4 20641 B12R1.304 CCC(C)CN(C)CC1CCC1 2230a_200000750244_100000748023 [0,1,0,1,0,0|2,0,0]=4 20642 B12R1.304 CCC(C)CN(C)CC1CCC1 269982a_100000753921_100000763275 [0,1,0,1,0,0|2,0,0]=4 20643 B12R1.304 CCC(C)CN(C)CC1CCC1 269982a_200000750244_100000748023 [0,1,0,1,0,0|2,0,0]=4 20644 B12R1.304 CCC(C)CN(C)CC1CCC1 270004a_200000750244_100000243153 [0,1,0,1,0,0|2,0,0]=4 20645 B12R1.304 CCC(C)CN(C)CC1CCC1 34a_200000750244_100000748023 [0,1,0,1,0,0|2,0,0]=4 20646 B12R1.304 CCC(O)CC(=O)CC1CCC1 1458a_100000763092_100011218378 [0,1,0,1,0,0|0,0,1]=3 20647 B12R1.304 CCC(O)CC(=O)CC1CCC1 1458a_100011667805_100000763275 [0,1,0,1,0,0|0,0,1]=3 20648 B12R1.304 CCC(O)CC(=O)CC1CCO1 1458a_100011667805_100000103362 [0,1,0,1,0,0|1,0,1]=4 20649 B12R1.304 CCC(O)CC(=O)CC1COC1 1458a_100000687760_100011218378 [0,1,0,1,0,0|1,0,1]=4 20650 B12R1.304 CCC(O)CC(=O)CC1COC1 1458a_100011667805_100010264016 [0,1,0,1,0,0|1,0,1]=4 20651 B12R1.304 CCC(O)CC(=O)NC1CCC1 1626a_100000749019_100011667805 [0,1,0,1,0,0|1,0,1]=4 20652 B12R1.304 CCC(O)CC(=O)NC1CCC1 240690a_100000749019_100011667805 [0,1,0,1,0,0|1,0,1]=4 20653 B12R1.304 CCC(O)CN(C)CC1CCC1 2230a_200000750244_100011218378 [0,1,0,1,0,0|1,0,0]=3 20654 B12R1.304 CCC(O)CN(C)CC1CCC1 269982a_200000750244_100011218378 [0,1,0,1,0,0|1,0,0]=3 20655 B12R1.304 CCC(O)CN(C)CC1CCC1 34a_200000750244_100011218378 [0,1,0,1,0,0|1,0,0]=3 20656 B12R1.304 CC[C@H](C)CC(=O)CC1CCC1 1458a_100000763092_100009816398 [0,1,0,1,0,0|1,0,1]=4 20657 B12R1.304 CC[C@H](C)CN(C)CC1CCC1 2230a_200000750244_100009816398 [0,1,0,1,0,0|2,0,0]=4 20658 B12R1.304 CC[C@H](C)CN(C)CC1CCC1 269982a_200000750244_100009816398 [0,1,0,1,0,0|2,0,0]=4 20659 B12R1.304 CC[C@H](C)CN(C)CC1CCC1 34a_200000750244_100009816398 [0,1,0,1,0,0|2,0,0]=4 20660 B12R1.304 CN(CC(O)CO)CC1CCC1 2230a_100011216503_100000763275 [0,1,0,1,0,0|2,0,0]=4 20661 B12R1.304 CN(CC(O)CO)CC1CCC1 2230a_200000750244_100011219619 [0,1,0,1,0,0|2,0,0]=4 20662 B12R1.304 CN(CC(O)CO)CC1CCC1 269982a_100011216503_100000763275 [0,1,0,1,0,0|2,0,0]=4 20663 B12R1.304 CN(CC(O)CO)CC1CCC1 34a_200000750244_100011219619 [0,1,0,1,0,0|2,0,0]=4 20664 B12R1.304 CN(CC1CCC1)C[C@@H](O)CF 2230a_200000750244_100015614560 [0,1,0,1,0,0|2,0,0]=4 20665 B12R1.304 CN(CC1CCC1)C[C@@H](O)CF 34a_200000750244_100015614560 [0,1,0,1,0,0|2,0,0]=4 20666 B12R1.304 CN(CC1CCC1)C[C@@H](O)CO 2230a_200000750244_100009815848 [0,1,0,1,0,0|2,0,0]=4 20667 B12R1.304 CN(CC1CCC1)C[C@@H](O)CO 34a_200000750244_100009815848 [0,1,0,1,0,0|2,0,0]=4 20668 B12R1.305 CCC(C)CC(=O)CCC1CC1 1458a_100000708755_100000694398 [0,1,0,1,0,0|1,0,1]=4 20669 B12R1.305 CCC(C)CC(=O)CCC1CC1 1458a_100000756386_100000748023 [0,1,0,1,0,0|1,0,1]=4 20670 B12R1.305 CCC(C)CC(C)NCC1CC1 2230a_100000763565_100000742324 [0,1,0,1,0,0|2,0,0]=4 20671 B12R1.305 CCC(C)CC(C)NCC1CC1 269862a_100000763565_100000741477 [0,1,0,1,0,0|2,0,0]=4 20672 B12R1.305 CCC(C)CC(C)NCC1CC1 270004a_100000735609_100011710205 [0,1,0,1,0,0|2,0,0]=4 20673 B12R1.305 CCC(C)CN(C)CCC1CC1 2230a_100000753921_100000694398 [0,1,0,1,0,0|2,0,0]=4 20674 B12R1.305 CCC(C)CN(C)CCC1CC1 269982a_100000753921_100000694398 [0,1,0,1,0,0|2,0,0]=4 20675 B12R1.305 CCC(O)CC(=O)CCC1CC1 1458a_100000756386_100011218378 [0,1,0,1,0,0|0,0,1]=3 20676 B12R1.305 CCC(O)CC(=O)CCC1CC1 1458a_100011667805_100000694398 [0,1,0,1,0,0|0,0,1]=3 20677 B12R1.305 CCC(O)CC(=O)CCC1CO1 1458a_100011667805_100000732470 [0,1,0,1,0,0|1,0,1]=4 20678 B12R1.305 CCC(O)CC(=O)NCC1CC1 1626a_100000735609_100011667805 [0,1,0,1,0,0|1,0,1]=4 20679 B12R1.305 CCC(O)CC(=O)NCC1CC1 240690a_100000735609_100011667805 [0,1,0,1,0,0|1,0,1]=4 20680 B12R1.305 CC[C@H](C)CC(=O)CCC1CC1 1458a_100000756386_100009816398 [0,1,0,1,0,0|1,0,1]=4 20681 B12R1.305 CN(CCC1CC1)CC(O)CO 2230a_100011216503_100000694398 [0,1,0,1,0,0|2,0,0]=4 20682 B12R1.305 CN(CCC1CC1)CC(O)CO 269982a_100011216503_100000694398 [0,1,0,1,0,0|2,0,0]=4 20683 B12R1.306 CCC(O)CC(=O)N1CCC1C 240690a_100000755817_100011667805 [0,1,0,1,0,0|1,0,1]=4 20684 B12R1.481 CCCCCC(=O)C1CC1CC 1458a_200011661523_100000210326 [0,1,0,1,0,0|1,0,1]=4 20685 B12R1.483 CCCCCC(=O)CC1CCC1 1458a_100000212188_100000763275 [0,1,0,1,0,0|1,0,1]=4 20686 B12R1.483 CCCCCC(=O)CC1CCC1 1458a_100000763092_100000210326 [0,1,0,1,0,0|1,0,1]=4 20687 B12R1.483 CCCCCC(=O)CC1CCO1 1458a_100000212188_100000103362 [0,1,0,1,0,0|0,0,1]=3 20688 B12R1.483 CCCCCC(C)NC1CCC1 2230a_100000749019_200011218191 [0,1,0,1,0,0|2,0,0]=4 20689 B12R1.483 CCCCCC(C)NC1CCC1 270004a_100000211957_100000241760 [0,1,0,1,0,0|2,0,0]=4 20690 B12R1.483 CCCCCC(C)NC1CCC1 34a_100000749019_200011218191 [0,1,0,1,0,0|2,0,0]=4 20691 B12R1.483 CCCCCC(C)OC1CCC1 34a_100000748187_200011218191 [0,1,0,1,0,0|2,0,0]=4 20692 B12R1.483 CCCCCC(C)OC1CCC1 34a_100011215632_100000749161 [0,1,0,1,0,0|2,0,0]=4 20693 B12R1.483 CCCCCC(C)SC1CCC1 62a_200011218191_100000749161 [0,1,0,1,0,0|2,0,0]=4 20694 B12R1.483 CCCCCN(C)CC1CCC1 2230a_100000223495_100000763275 [0,1,0,1,0,0|2,0,0]=4 20695 B12R1.483 CCCCCN(C)CC1CCC1 2230a_200000750244_100000210326 [0,1,0,1,0,0|2,0,0]=4 20696 B12R1.483 CCCCCN(C)CC1CCC1 269982a_100000223495_100000763275 [0,1,0,1,0,0|2,0,0]=4 20697 B12R1.483 CCCCCN(C)CC1CCC1 269982a_200000750244_100000210215 [0,1,0,1,0,0|2,0,0]=4 20698 B12R1.483 CCCCCN(C)CC1CCC1 34a_200000750244_100000718602 [0,1,0,1,0,0|2,0,0]=4 20699 B12R1.483 CCCCCN(C)CC1CCO1 2230a_100000223495_100000103362 [0,1,0,1,0,0|1,0,0]=3 20700 B12R1.483 CCCCCN(C)CC1CCO1 269982a_100000223495_100000103362 [0,1,0,1,0,0|1,0,0]=3 20701 B12R1.483 CCCOCC(=O)CC1CCO1 1458a_100000745993_100000103362 [0,1,0,1,0,0|1,0,1]=4 20702 B12R1.483 CCCSCC(=O)CC1CCO1 1458a_100000217233_100000103362 [0,1,0,1,0,0|1,0,1]=4 20703 B12R1.483 CCOCCC(=O)CC1CCO1 1458a_100000749530_100000103362 [0,1,0,1,0,0|1,0,1]=4 20704 B12R1.483 CCSCCC(=O)CC1CCO1 1458a_100000230768_100000103362 [0,1,0,1,0,0|1,0,1]=4 20705 B12R1.483 CN(CCCCO)CC1CCO1 2230a_100000717598_100000103362 [0,1,0,1,0,0|2,0,0]=4 20706 B12R1.483 CN(CCCCO)CC1CCO1 269982a_100000717598_100000103362 [0,1,0,1,0,0|2,0,0]=4 20707 B12R1.483 COCCCC(=O)CC1CCO1 1458a_100000741012_100000103362 [0,1,0,1,0,0|1,0,1]=4 20708 B12R1.483 COCCCN(C)CC1CCO1 2230a_100000224831_100000103362 [0,1,0,1,0,0|2,0,0]=4 20709 B12R1.483 COCCCN(C)CC1CCO1 269982a_100000224831_100000103362 [0,1,0,1,0,0|2,0,0]=4 20710 B12R1.483 CSCCCC(=O)CC1CCO1 1458a_100000173376_100000103362 [0,1,0,1,0,0|1,0,1]=4 20711 B12R1.483 O=C(CCCCO)CC1CCO1 1458a_100000695505_100000103362 [0,1,0,1,0,0|1,0,1]=4 20712 B12R1.485 CCCCCC(C)N1CCC1C 269982a_100000755817_200011218191 [0,1,0,1,0,0|2,0,0]=4 20713 B12R1.485 CCCCCC(C)N1CCC1C 34a_100000755817_200011218191 [0,1,0,1,0,0|2,0,0]=4 20714 B12R1.900 CCCCCC(=O)CC1(CC1)C 1458a_100000112800_100000210326 [0,1,0,1,0,0|1,0,1]=4 20715 B12R1.900 CCCCCC(C)NC1(CC1)C 2230a_100000757604_200011218191 [0,1,0,1,0,0|2,0,0]=4 20716 B12R1.900 CCCCCC(C)OC1(CC1)C 7a_100011725673_200011218191 [0,1,0,1,0,0|2,0,0]=4 20717 B12R1.1940 CCC(C)CC(=O)C1CC1CC 1458a_200011661523_100000748023 [0,1,0,1,0,0|1,0,1]=4 20718 B12R1.1940 CCC(O)CC(=O)C1CC1CC 1458a_200011661523_100011218378 [0,1,0,1,0,0|0,0,1]=3 20719 B12R1.1940 CCC1CC1C(=O)C[C@@H](C)CC 1458a_200011661523_100009816398 [0,1,0,1,0,0|1,0,1]=4 20720 B12R1.3441 CCC(C)N1C(CCCC1C)C 2230a_100000210447_100000758301 [0,1,0,1,0,0|2,0,0]=4 20721 B12R1.3441 CCC(C)N1C(CCCC1C)C 269982a_100000210447_100000758301 [0,1,0,1,0,0|2,0,0]=4 20722 B12R1.3441 CCC(C)N1C(CCCC1C)C 34a_100000210447_100011215416 [0,1,0,1,0,0|2,0,0]=4 20723 B12R1.3441 CCN(C)C1C(CCCC1C)C 2230a_200000753723_100000210202 [0,1,0,1,0,0|2,0,0]=4 20724 B12R1.3441 CCN(C)C1C(CCCC1C)C 269982a_200000753723_100000204670 [0,1,0,1,0,0|2,0,0]=4 20725 B12R1.3441 CCN(C)C1C(CCCC1C)C 34a_200000753723_100000210202 [0,1,0,1,0,0|2,0,0]=4 20726 B12R1.3524 CCC(=O)CC1(CCCCC1)O 1458a_100000755886_100000210202 [0,1,0,1,0,0|0,0,2]=4 20727 B12R1.3524 CCC(C)NC1(CCCCC1)C 2230a_100000741114_100000758301 [0,1,0,1,0,0|2,0,0]=4 20728 B12R1.3524 CCC(C)NC1(CCCCC1)C 34a_100000741114_100011215416 [0,1,0,1,0,0|2,0,0]=4 20729 B12R1.3524 CCC(C)OC1(CCCCC1)C 34a_100011215885_100011215416 [0,1,0,1,0,0|2,0,0]=4 20730 B12R1.3524 CCC(C)OC1(CCCCC1)C 7a_100011215885_100000758301 [0,1,0,1,0,0|2,0,0]=4 20731 B12R1.16 CC(CCO)N1CCC(CC1)O 2230a_100025773856_100009893172 [0,1,0,1,0,0|2,0,0]=4 20732 B12R1.16 CC(CCO)N1CCC(CC1)O 269982a_100025773856_100009893172 [0,1,0,1,0,0|2,0,0]=4 20733 B12R1.16 CCCC(=O)C1CCC(CC1)C 1458a_100000211992_200011216234 [0,1,0,1,0,0|1,0,1]=4 20734 B12R1.16 CCCC(=O)C1CCC(CC1)O 1458a_100000743365_100000210303 [0,1,0,1,0,0|0,0,1]=3 20735 B12R1.16 CCCC(=O)N1CCC(CC1)O 240690a_100025773856_100000211992 [0,1,0,1,0,0|1,0,1]=4 20736 B12R1.16 CCCC(=O)N1CCC(CC1)O 527a_100025773856_100000211992 [0,1,0,1,0,0|1,0,1]=4 20737 B12R1.16 CCCC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_100000210303 [0,1,0,1,0,0|1,0,1]=4 20738 B12R1.16 CCCC(C)N1CCC(CC1)C 2230a_100000188429_100000766640 [0,1,0,1,0,0|2,0,0]=4 20739 B12R1.16 CCCC(C)N1CCC(CC1)C 269982a_100000188429_100000766640 [0,1,0,1,0,0|2,0,0]=4 20740 B12R1.16 CCCC(C)N1CCC(CC1)C 270004a_100000188429_100000211909 [0,1,0,1,0,0|2,0,0]=4 20741 B12R1.16 CCCC(C)N1CCC(CC1)C 34a_100000188429_100000766640 [0,1,0,1,0,0|2,0,0]=4 20742 B12R1.16 CCCC(C)N1CCC(CC1)F 2230a_100015193889_100000766640 [0,1,0,1,0,0|2,0,0]=4 20743 B12R1.16 CCCC(C)N1CCC(CC1)F 269982a_100015193889_100000766640 [0,1,0,1,0,0|2,0,0]=4 20744 B12R1.16 CCCC(C)N1CCC(CC1)F 270004a_100015193889_100000211909 [0,1,0,1,0,0|2,0,0]=4 20745 B12R1.16 CCCC(C)N1CCC(CC1)F 34a_100015193889_100000766640 [0,1,0,1,0,0|2,0,0]=4 20746 B12R1.16 CCCC(C)N1CCC(CC1)O 2230a_100025773856_100000766640 [0,1,0,1,0,0|1,0,0]=3 20747 B12R1.16 CCCC(C)N1CCC(CC1)O 269982a_100025773856_100000766640 [0,1,0,1,0,0|1,0,0]=3 20748 B12R1.16 CCCC(C)N1CCC(CC1)O 270004a_100025773856_100000211909 [0,1,0,1,0,0|1,0,0]=3 20749 B12R1.16 CCCN(C)C1CCC(CC1)C 269982a_100000747261_200011216234 [0,1,0,1,0,0|2,0,0]=4 20750 B12R1.16 CCCN(C)C1CCC(CC1)C 270004a_100000747261_100000185489 [0,1,0,1,0,0|2,0,0]=4 20751 B12R1.16 CCCN(C)C1CCC(CC1)O 270004a_100000747261_100000764474 [0,1,0,1,0,0|1,0,0]=3 20752 B12R1.16 CCCN(C)[C@H]1CC[C@H](CC1)O 2230a_100020636401_100000210303 [0,1,0,1,0,0|1,0,0]=3 20753 B12R1.16 CCCN(C)[C@H]1CC[C@H](CC1)O 269982a_100020636401_100000210303 [0,1,0,1,0,0|1,0,0]=3 20754 B12R1.16 CCNC(=O)C1CCC(CC1)O 240690a_100015525214_100000743365 [0,1,0,1,0,0|1,0,1]=4 20755 B12R1.16 CCNC(=O)C1CCC(CC1)O 527a_100015525214_100000743365 [0,1,0,1,0,0|1,0,1]=4 20756 B12R1.16 CN(CCF)[C@H]1CC[C@H](CC1)O 2230a_100020636401_100011217306 [0,1,0,1,0,0|2,0,0]=4 20757 B12R1.16 CN(CCF)[C@H]1CC[C@H](CC1)O 269982a_100020636401_100011217306 [0,1,0,1,0,0|2,0,0]=4 20758 B12R1.16 CN(CCO)C1CCC(CC1)O 270004a_100000210263_100000764474 [0,1,0,1,0,0|2,0,0]=4 20759 B12R1.16 CN(CCO)[C@H]1CC[C@H](CC1)O 2230a_100020636401_100000211926 [0,1,0,1,0,0|2,0,0]=4 20760 B12R1.16 CN(CCO)[C@H]1CC[C@H](CC1)O 269982a_100020636401_100000211926 [0,1,0,1,0,0|2,0,0]=4 20761 B12R1.16 COCC(C)N1CCC(CC1)O 2230a_100025773856_100000765312 [0,1,0,1,0,0|2,0,0]=4 20762 B12R1.16 COCC(C)N1CCC(CC1)O 269982a_100025773856_100000765312 [0,1,0,1,0,0|2,0,0]=4 20763 B12R1.16 COCC(C)N1CCC(CC1)O 270004a_100025773856_100000749346 [0,1,0,1,0,0|2,0,0]=4 20764 B12R1.16 COCN(C)[C@H]1CC[C@H](CC1)O 2230a_100020636401_100000766300 [0,1,0,1,0,0|2,0,0]=4 20765 B12R1.16 COCN(C)[C@H]1CC[C@H](CC1)O 269982a_100020636401_100000766300 [0,1,0,1,0,0|2,0,0]=4 20766 B12R1.16 CSCC(C)N1CCC(CC1)O 270004a_100025773856_100011216314 [0,1,0,1,0,0|2,0,0]=4 20767 B12R1.16 CSCN(C)[C@H]1CC[C@H](CC1)O 2230a_100020636401_100011218213 [0,1,0,1,0,0|2,0,0]=4 20768 B12R1.16 CSCN(C)[C@H]1CC[C@H](CC1)O 269982a_100020636401_100011218213 [0,1,0,1,0,0|2,0,0]=4 20769 B12R1.16 O=C(CCF)C1CCC(CC1)O 1458a_100000743365_100011217306 [0,1,0,1,0,0|1,0,1]=4 20770 B12R1.16 O=C(CCO)C1CCC(CC1)O 1458a_100000743365_100000211926 [0,1,0,1,0,0|1,0,1]=4 20771 B12R1.31 CC(CCO)N[C@H]1CC[C@H](C1)O 2230a_100015195300_100009893172 [0,1,0,1,0,0|2,0,0]=4 20772 B12R1.31 CCCC(=O)CN1CCC(C1)O 2230a_100011215560_100000747444 [0,1,0,1,0,0|1,0,1]=4 20773 B12R1.31 CCCC(=O)CN1CCC(C1)O 269982a_100011215560_100000747444 [0,1,0,1,0,0|1,0,1]=4 20774 B12R1.31 CCCC(=O)N[C@H]1CC[C@H](C1)O 1626a_100015195300_100000211992 [0,1,0,1,0,0|1,0,1]=4 20775 B12R1.31 CCCC(=O)N[C@H]1CC[C@H](C1)O 240690a_100015195300_100000211992 [0,1,0,1,0,0|1,0,1]=4 20776 B12R1.31 CCCC(C)CN1CCC(C1)O 2230a_100011215560_100011216630 [0,1,0,1,0,0|1,0,0]=3 20777 B12R1.31 CCCC(C)CN1CCC(C1)O 269982a_100011215560_100011216630 [0,1,0,1,0,0|1,0,0]=3 20778 B12R1.31 CCCC(C)CN1CCC(C1)O 270004a_100011215560_100000243154 [0,1,0,1,0,0|1,0,0]=3 20779 B12R1.31 CCCC(C)CN1CC[C@@H](C1)F 2230a_100015203821_100011216630 [0,1,0,1,0,0|2,0,0]=4 20780 B12R1.31 CCCC(C)CN1CC[C@@H](C1)F 269982a_100015203821_100011216630 [0,1,0,1,0,0|2,0,0]=4 20781 B12R1.31 CCCC(C)CN1CC[C@@H](C1)F 270004a_100015203821_100000243154 [0,1,0,1,0,0|2,0,0]=4 20782 B12R1.31 CCCC(C)CN1CC[C@@H](C1)F 34a_100015203821_100011216630 [0,1,0,1,0,0|2,0,0]=4 20783 B12R1.31 CCCC(C)CN1CC[C@H](C1)C 2230a_100016987628_100011216630 [0,1,0,1,0,0|2,0,0]=4 20784 B12R1.31 CCCC(C)CN1CC[C@H](C1)C 269982a_100016987628_100011216630 [0,1,0,1,0,0|2,0,0]=4 20785 B12R1.31 CCCC(C)CN1CC[C@H](C1)C 270004a_100016987628_100000243154 [0,1,0,1,0,0|2,0,0]=4 20786 B12R1.31 CCCC(C)CN1CC[C@H](C1)C 34a_100016987628_100011216630 [0,1,0,1,0,0|2,0,0]=4 20787 B12R1.31 CCCC(C)NC1CCC(C1)C 270004a_100000741246_100011215218 [0,1,0,1,0,0|2,0,0]=4 20788 B12R1.31 CCCC(C)NC1CCC(C1)O 270004a_100000741246_100012614533 [0,1,0,1,0,0|1,0,0]=3 20789 B12R1.31 CCCC(C)N[C@H]1CC[C@H](C1)O 2230a_100015195300_100000766640 [0,1,0,1,0,0|1,0,0]=3 20790 B12R1.31 CCCC(C)N[C@H]1CC[C@H](C1)O 270004a_100015195300_100000211909 [0,1,0,1,0,0|1,0,0]=3 20791 B12R1.31 CCCC(C)OC1CCC(C1)C 34a_100000698185_100000766640 [0,1,0,1,0,0|2,0,0]=4 20792 B12R1.31 COCC(C)N[C@H]1CC[C@H](C1)O 2230a_100015195300_100000765312 [0,1,0,1,0,0|2,0,0]=4 20793 B12R1.31 COCC(C)N[C@H]1CC[C@H](C1)O 270004a_100015195300_100000749346 [0,1,0,1,0,0|2,0,0]=4 20794 B12R1.31 COC[C@@H](C)NC1CCC(C1)O 270004a_100000764878_100012614533 [0,1,0,1,0,0|2,0,0]=4 20795 B12R1.31 CSCC(C)N[C@H]1CC[C@H](C1)O 270004a_100015195300_100011216314 [0,1,0,1,0,0|2,0,0]=4 20796 B12R1.31 C[C@H](CCO)NC1CCC(C1)O 270004a_100000706166_100012614533 [0,1,0,1,0,0|2,0,0]=4 20797 B12R1.312 CCCN(C)C1CCC(C1)CC 270004a_100000747261_100011218773 [0,1,0,1,0,0|2,0,0]=4 20798 B12R1.1527 CCCC(=O)CNCC1(CC1)O 2230a_100011936951_100000747444 [0,1,0,1,0,0|1,0,1]=4 20799 B12R1.1527 CCCC(C)CNCC1(CC1)C 2230a_100000766693_100011216630 [0,1,0,1,0,0|2,0,0]=4 20800 B12R1.1527 CCCC(C)CNCC1(CC1)C 270004a_100000766693_100000243154 [0,1,0,1,0,0|2,0,0]=4 20801 B12R1.1527 CCCC(C)CNCC1(CC1)O 2230a_100011936951_100011216630 [0,1,0,1,0,0|1,0,0]=3 20802 B12R1.1527 CCCC(C)CNCC1(CC1)O 270004a_100011936951_100000243154 [0,1,0,1,0,0|1,0,0]=3 20803 B12R1.1527 CCCC(C)COCC1(CC1)C 7a_100000698024_100011216630 [0,1,0,1,0,0|2,0,0]=4 20804 B12R1.1527 CCCC(C)COCC1(CC1)F 34a_200000703853_100011216630 [0,1,0,1,0,0|2,0,0]=4 20805 B12R1.1527 CCCC(C)COCC1(CC1)F 7a_200000703853_100011216630 [0,1,0,1,0,0|2,0,0]=4 20806 B12R1.1619 CCCC(=O)CN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000747444 [0,1,0,1,0,0|1,0,1]=4 20807 B12R1.1619 CCCC(=O)CN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000747444 [0,1,0,1,0,0|1,0,1]=4 20808 B12R1.1619 CCCC(C)CN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100011216630 [0,1,0,1,0,0|1,0,0]=3 20809 B12R1.1619 CCCC(C)CN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100011216630 [0,1,0,1,0,0|1,0,0]=3 20810 B12R1.1619 CCCC(C)CN1C[C@@H]([C@@H]1C)O 270004a_206633788156_100000243154 [0,1,0,1,0,0|1,0,0]=3 20811 B12R1.1621 CCCC(C)CN1CC(C1)CC 2230a_100015205115_100011216630 [0,1,0,1,0,0|2,0,0]=4 20812 B12R1.1621 CCCC(C)CN1CC(C1)CC 269982a_100015205115_100011216630 [0,1,0,1,0,0|2,0,0]=4 20813 B12R1.1621 CCCC(C)CN1CC(C1)CC 270004a_100015205115_100000243154 [0,1,0,1,0,0|2,0,0]=4 20814 B12R1.1689 CCC(C)CCNC(C)C1CC1 269862a_100020591266_100000210639 [0,1,0,1,0,0|2,0,0]=4 20815 B12R1.1689 CCC(C)CNCC(O)C1CC1 2230a_100000751198_100000748023 [0,1,0,1,0,0|2,0,0]=4 20816 B12R1.1689 CCC(C)CNCC(O)C1CC1 270004a_100000751198_100000243153 [0,1,0,1,0,0|2,0,0]=4 20817 B12R1.1689 CCC(C)CNCC(O)C1CC1 34a_100000751198_100000748023 [0,1,0,1,0,0|2,0,0]=4 20818 B12R1.1689 CCC(C)COC[C@H](N)C1CC1 34a_100020623730_100000748023 [0,1,0,1,0,0|2,0,0]=4 20819 B12R1.1689 CCC(O)CNCC(=O)C1CC1 2230a_100011218483_100000746382 [0,1,0,1,0,0|1,0,1]=4 20820 B12R1.1689 CCC(O)CNCC(O)C1CC1 2230a_100000751198_100011218378 [0,1,0,1,0,0|1,0,0]=3 20821 B12R1.1689 CCC(O)CNCC(O)C1CC1 34a_100000751198_100011218378 [0,1,0,1,0,0|1,0,0]=3 20822 B12R1.1689 CCC(O)COCC(=O)C1CC1 34a_100000686663_100011218378 [0,1,0,1,0,0|1,0,1]=4 20823 B12R1.1689 CCC(O)COC[C@H](N)C1CC1 34a_100020623730_100011218378 [0,1,0,1,0,0|1,0,0]=3 20824 B12R1.1689 CCC(O)CSCC(=O)C1CC1 62a_100000746382_100011218378 [0,1,0,1,0,0|1,0,1]=4 20825 B12R1.1689 CCC(O)CSCC(=O)C1CC1 62a_100011218378_100000746382 [0,1,0,1,0,0|1,0,1]=4 20826 B12R1.1689 CC[C@H](C)CNCC(O)C1CC1 2230a_100000751198_100009816398 [0,1,0,1,0,0|2,0,0]=4 20827 B12R1.1689 CC[C@H](C)CNCC(O)C1CC1 34a_100000751198_100009816398 [0,1,0,1,0,0|2,0,0]=4 20828 B12R1.1689 CC[C@H](C)COC[C@H](N)C1CC1 34a_100020623730_100009816398 [0,1,0,1,0,0|2,0,0]=4 20829 B12R1.1689 N[C@@H](COCC(O)CO)C1CC1 34a_100020623730_100011219619 [0,1,0,1,0,0|2,0,0]=4 20830 B12R1.1689 N[C@@H](COC[C@@H](O)CF)C1CC1 34a_100020623730_100015614560 [0,1,0,1,0,0|2,0,0]=4 20831 B12R1.1689 N[C@@H](COC[C@@H](O)CO)C1CC1 34a_100020623730_100009815848 [0,1,0,1,0,0|2,0,0]=4 20832 B12R1.1689 OC(CNC[C@@H](O)CF)C1CC1 2230a_100000751198_100015614560 [0,1,0,1,0,0|2,0,0]=4 20833 B12R1.1689 OC(CNC[C@@H](O)CF)C1CC1 34a_100000751198_100015614560 [0,1,0,1,0,0|2,0,0]=4 20834 B12R1.1689 OCC(O)CNCC(O)C1CC1 2230a_100000751198_100011219619 [0,1,0,1,0,0|2,0,0]=4 20835 B12R1.1689 OCC(O)CNCC(O)C1CC1 34a_100000751198_100011219619 [0,1,0,1,0,0|2,0,0]=4 20836 B12R1.1689 OC[C@H](O)CNCC(O)C1CC1 2230a_100000751198_100009815848 [0,1,0,1,0,0|2,0,0]=4 20837 B12R1.1689 OC[C@H](O)CNCC(O)C1CC1 34a_100000751198_100009815848 [0,1,0,1,0,0|2,0,0]=4 20838 B12R1.1849 CC1(CCC1)CNCC(O)CO 2230a_100000706607_100011219619 [0,1,0,1,0,0|2,0,0]=4 20839 B12R1.1849 CC1(CCC1)CNC[C@@H](O)CF 2230a_100000706607_100015614560 [0,1,0,1,0,0|2,0,0]=4 20840 B12R1.1849 CC1(CCC1)CNC[C@@H](O)CO 2230a_100000706607_100009815848 [0,1,0,1,0,0|2,0,0]=4 20841 B12R1.1849 CC1(CCC1)CNC[C@H](O)CO 2230a_100020644852_100000726658 [0,1,0,1,0,0|2,0,0]=4 20842 B12R1.1849 CC1(CCC1)CSCC(O)CO 62a_100000726658_100011219619 [0,1,0,1,0,0|2,0,0]=4 20843 B12R1.1849 CC1(CCC1)CSCC(O)CO 62a_100011219619_100000726658 [0,1,0,1,0,0|2,0,0]=4 20844 B12R1.1849 CC1(CCC1)CSC[C@@H](O)CF 62a_100000726658_100015614560 [0,1,0,1,0,0|2,0,0]=4 20845 B12R1.1849 CC1(CCC1)CSC[C@@H](O)CF 62a_100015614560_100000726658 [0,1,0,1,0,0|2,0,0]=4 20846 B12R1.1849 CC1(CCC1)CSC[C@@H](O)CO 62a_100000726658_100009815848 [0,1,0,1,0,0|2,0,0]=4 20847 B12R1.1849 CC1(CCC1)CSC[C@@H](O)CO 62a_100009815848_100000726658 [0,1,0,1,0,0|2,0,0]=4 20848 B12R1.1849 CCC(C)CNCC1(CCC1)C 2230a_100000706607_100000748023 [0,1,0,1,0,0|2,0,0]=4 20849 B12R1.1849 CCC(C)CNCC1(CCC1)C 2230a_100020588543_100000726658 [0,1,0,1,0,0|2,0,0]=4 20850 B12R1.1849 CCC(C)CNCC1(CCC1)C 270004a_100000706607_100000243153 [0,1,0,1,0,0|2,0,0]=4 20851 B12R1.1849 CCC(C)CNCC1(CCC1)O 2230a_100000752638_100000748023 [0,1,0,1,0,0|2,0,0]=4 20852 B12R1.1849 CCC(C)CNCC1(CCC1)O 270004a_100000752638_100000243153 [0,1,0,1,0,0|2,0,0]=4 20853 B12R1.1849 CCC(C)CSCC1(CCC1)C 62a_100000726658_100000748023 [0,1,0,1,0,0|2,0,0]=4 20854 B12R1.1849 CCC(C)CSCC1(CCC1)C 62a_100000748023_100000726658 [0,1,0,1,0,0|2,0,0]=4 20855 B12R1.1849 CCC(O)CNCC1(CCC1)C 2230a_100000706607_100011218378 [0,1,0,1,0,0|1,0,0]=3 20856 B12R1.1849 CCC(O)CNCC1(CCC1)C 2230a_100011218483_100000726658 [0,1,0,1,0,0|1,0,0]=3 20857 B12R1.1849 CCC(O)CNCC1(CCC1)O 2230a_100000752638_100011218378 [0,1,0,1,0,0|1,0,0]=3 20858 B12R1.1849 CCC(O)CNCC1(COC1)C 2230a_100011218483_100000066812 [0,1,0,1,0,0|2,0,0]=4 20859 B12R1.1849 CCC(O)CNCC1(COC1)C 2230a_100020631278_100011218378 [0,1,0,1,0,0|2,0,0]=4 20860 B12R1.1849 CCC(O)CNCC1(COC1)C 269862a_100011218483_100000050806 [0,1,0,1,0,0|2,0,0]=4 20861 B12R1.1849 CCC(O)CNCC1(COC1)O 2230a_100010264505_100011218378 [0,1,0,1,0,0|2,0,0]=4 20862 B12R1.1849 CCC(O)COCC1(CSC1)C 34a_100000732658_100011218378 [0,1,0,1,0,0|2,0,0]=4 20863 B12R1.1849 CCC(O)COCC1(CSC1)C 7a_100000732658_100011218378 [0,1,0,1,0,0|2,0,0]=4 20864 B12R1.1849 CCC(O)CSCC1(CCC1)C 62a_100000726658_100011218378 [0,1,0,1,0,0|1,0,0]=3 20865 B12R1.1849 CCC(O)CSCC1(CCC1)C 62a_100011218378_100000726658 [0,1,0,1,0,0|1,0,0]=3 20866 B12R1.1849 CCC(O)CSCC1(COC1)C 62a_100009817586_100011218378 [0,1,0,1,0,0|2,0,0]=4 20867 B12R1.1849 CCC(O)CSCC1(COC1)C 62a_100011218378_100009817586 [0,1,0,1,0,0|2,0,0]=4 20868 B12R1.1849 CC[C@H](C)CNCC1(CCC1)C 2230a_100000706607_100009816398 [0,1,0,1,0,0|2,0,0]=4 20869 B12R1.1849 CC[C@H](C)CNCC1(CCC1)O 2230a_100000752638_100009816398 [0,1,0,1,0,0|2,0,0]=4 20870 B12R1.1849 CC[C@H](C)COCC1(CCC1)C 7a_100009816381_100000726658 [0,1,0,1,0,0|2,0,0]=4 20871 B12R1.1849 CC[C@H](C)CSCC1(CCC1)C 62a_100000726658_100009816398 [0,1,0,1,0,0|2,0,0]=4 20872 B12R1.1849 CC[C@H](C)CSCC1(CCC1)C 62a_100009816398_100000726658 [0,1,0,1,0,0|2,0,0]=4 20873 B12R1.1849 OCC(O)CNCC1(CCC1)O 2230a_100000752638_100011219619 [0,1,0,1,0,0|2,0,0]=4 20874 B12R1.1849 OC[C@H](O)CNCC1(CCC1)O 2230a_100000752638_100009815848 [0,1,0,1,0,0|2,0,0]=4 20875 B12R1.1849 O[C@@H](CF)CNCC1(CCC1)O 2230a_100000752638_100015614560 [0,1,0,1,0,0|2,0,0]=4 20876 B12R2.24 CN1CCC2CCCCC2C1 2230a_100000211783_200000210301 [0,0,0,2,0,0|2,0,0]=4 20877 B12R2.24 CN1CCC2CCCCC2C1 269982a_100000211783_200000210301 [0,0,0,2,0,0|2,0,0]=4 20878 B12R2.24 CN1CCC2CCCCC2C1 34a_100000211783_200000210301 [0,0,0,2,0,0|2,0,0]=4 20879 B12R2.24 [13CH3]N1CCC2CCCCC2C1 2230a_100000211783_200025704644 [0,0,0,2,0,0|2,0,0]=4 20880 B12R2.24 [13CH3]N1CCC2CCCCC2C1 269982a_100000211783_200025704644 [0,0,0,2,0,0|2,0,0]=4 20881 B12R2.24 [13CH3]N1CCC2CCCCC2C1 34a_100000211783_200025704644 [0,0,0,2,0,0|2,0,0]=4 20882 B12R2.186 CCCN1CC2CCC1CC2 2230a_100000750499_100000210303 [0,0,0,2,0,0|2,0,0]=4 20883 B12R2.186 CCCN1CC2CCC1CC2 269982a_100000750499_100000210303 [0,0,0,2,0,0|2,0,0]=4 20884 B12R2.186 CCCN1CC2CCC1CC2 34a_100000750499_100000210303 [0,0,0,2,0,0|2,0,0]=4 20885 B12R2.294 CC1CCC(CC1)NC2CC2 34a_100000212008_200011216234 [0,0,0,2,0,0|2,0,0]=4 20886 B12R2.294 CC1CCC(CC1)OC2CC2 34a_100000210714_100000211595 [0,0,0,2,0,0|2,0,0]=4 20887 B12R2.294 CC1CCN(CC1)CC2CC2 2230a_100000188429_100000742324 [0,0,0,2,0,0|2,0,0]=4 20888 B12R2.294 CC1CCN(CC1)CC2CC2 269982a_100000188429_100000756562 [0,0,0,2,0,0|2,0,0]=4 20889 B12R2.294 CC1CCN(CC1)CC2CC2 34a_100000188429_100000742324 [0,0,0,2,0,0|2,0,0]=4 20890 B12R2.294 C[C@H]1CC[C@@H](CC1)NC2CC2 34a_100020625639_100000211595 [0,0,0,2,0,0|2,0,0]=4 20891 B12R2.294 FC1CCN(CC1)CC2CC2 2230a_100015193889_100000742324 [0,0,0,2,0,0|2,0,0]=4 20892 B12R2.294 FC1CCN(CC1)CC2CC2 269982a_100015193889_100000756562 [0,0,0,2,0,0|2,0,0]=4 20893 B12R2.294 FC1CCN(CC1)CC2CC2 34a_100015193889_100000742324 [0,0,0,2,0,0|2,0,0]=4 20894 B12R2.294 N[C@H]1CC[C@H](CC1)OC2CC2 34a_100020628982_100000211595 [0,0,0,2,0,0|2,0,0]=4 20895 B12R2.294 OC1CCN(CC1)CC2CC2 2230a_100025773856_100000742324 [0,0,0,2,0,0|1,0,0]=3 20896 B12R2.294 OC1CCN(CC1)CC2CC2 269982a_100025773856_100000756562 [0,0,0,2,0,0|1,0,0]=3 20897 B12R2.294 OC1CCN(CC1)CC2CO2 2230a_100025773856_100011216344 [0,0,0,2,0,0|2,0,0]=4 20898 B12R2.294 OC1CCN(CC1)CC2CO2 269982a_100025773856_102125554688 [0,0,0,2,0,0|2,0,0]=4 20899 B12R2.294 OC1CCN(CC1)CC2CS2 269982a_100025773856_100000031435 [0,0,0,2,0,0|2,0,0]=4 20900 B12R2.294 OC1CCN(CC1)C[C@@H]2CO2 269982a_100025773856_100000745022 [0,0,0,2,0,0|2,0,0]=4 20901 B12R2.1175 CN1CCC2(CCCC2)CC1 2230a_100015203818_200000210301 [0,0,0,2,0,0|2,0,0]=4 20902 B12R2.1175 CN1CCC2(CCCC2)CC1 269982a_100015203818_200000210301 [0,0,0,2,0,0|2,0,0]=4 20903 B12R2.1175 CN1CCC2(CCCC2)CC1 34a_100015203818_200000210301 [0,0,0,2,0,0|2,0,0]=4 20904 B12R2.1175 [13CH3]N1CCC2(CCCC2)CC1 2230a_100015203818_200025704644 [0,0,0,2,0,0|2,0,0]=4 20905 B12R2.1175 [13CH3]N1CCC2(CCCC2)CC1 269982a_100015203818_200025704644 [0,0,0,2,0,0|2,0,0]=4 20906 B12R2.1175 [13CH3]N1CCC2(CCCC2)CC1 34a_100015203818_200025704644 [0,0,0,2,0,0|2,0,0]=4 20907 B12R2.2302 CC1CCC(CC1)N2CCC2 269982a_100000754969_200011216234 [0,0,0,2,0,0|2,0,0]=4 20908 B12R2.2302 CC1CCN(CC1)C2CCC2 269982a_100000188429_100000749161 [0,0,0,2,0,0|2,0,0]=4 20909 B12R2.2302 CC1CCN(CC1)C2CCC2 270004a_100000188429_100000241760 [0,0,0,2,0,0|2,0,0]=4 20910 B12R2.2302 CC1CCN(CC1)C2CCC2 34a_100000188429_100000749161 [0,0,0,2,0,0|2,0,0]=4 20911 B12R2.2302 FC1CCN(CC1)C2CCC2 269982a_100015193889_100000749161 [0,0,0,2,0,0|2,0,0]=4 20912 B12R2.2302 FC1CCN(CC1)C2CCC2 270004a_100015193889_100000241760 [0,0,0,2,0,0|2,0,0]=4 20913 B12R2.2302 FC1CCN(CC1)C2CCC2 34a_100015193889_100000749161 [0,0,0,2,0,0|2,0,0]=4 20914 B12R2.2302 OC1CCN(CC1)C2CCC2 269982a_100025773856_100000749161 [0,0,0,2,0,0|1,0,0]=3 20915 B12R2.2302 OC1CCN(CC1)C2CCC2 270004a_100025773856_100000241760 [0,0,0,2,0,0|1,0,0]=3 20916 B12R2.2302 OC1CCN(CC1)C2COC2 269982a_100025773856_100000687716 [0,0,0,2,0,0|2,0,0]=4 20917 B12R2.1081 CN1CCCC2C1CCCC2 2230a_100000211887_200000210301 [0,0,0,2,0,0|2,0,0]=4 20918 B12R2.1081 CN1CCCC2C1CCCC2 269982a_100000211887_200000210301 [0,0,0,2,0,0|2,0,0]=4 20919 B12R2.1081 CN1CCCC2C1CCCC2 34a_100000211887_200000210301 [0,0,0,2,0,0|2,0,0]=4 20920 B12R2.1081 [13CH3]N1CCCC2C1CCCC2 2230a_100000211887_200025704644 [0,0,0,2,0,0|2,0,0]=4 20921 B12R2.1081 [13CH3]N1CCCC2C1CCCC2 269982a_100000211887_200025704644 [0,0,0,2,0,0|2,0,0]=4 20922 B12R2.1081 [13CH3]N1CCCC2C1CCCC2 34a_100000211887_200025704644 [0,0,0,2,0,0|2,0,0]=4 20923 B12R2.6 CC1CCC(C1)N2CCCC2 270004a_100000188435_100011215218 [0,0,0,2,0,0|2,0,0]=4 20924 B12R2.6 C[C@@H]1CCN(C1)C2CCCC2 2230a_100016987628_100000179811 [0,0,0,2,0,0|2,0,0]=4 20925 B12R2.6 C[C@@H]1CCN(C1)C2CCCC2 269982a_100016987628_100000179811 [0,0,0,2,0,0|2,0,0]=4 20926 B12R2.6 C[C@@H]1CCN(C1)C2CCCC2 270004a_100016987628_100000210133 [0,0,0,2,0,0|2,0,0]=4 20927 B12R2.6 C[C@@H]1CCN(C1)C2CCCC2 34a_100016987628_100000179811 [0,0,0,2,0,0|2,0,0]=4 20928 B12R2.6 F[C@H]1CCN(C1)C2CCCC2 2230a_100015203821_100000179811 [0,0,0,2,0,0|2,0,0]=4 20929 B12R2.6 F[C@H]1CCN(C1)C2CCCC2 269982a_100015203821_100000179811 [0,0,0,2,0,0|2,0,0]=4 20930 B12R2.6 F[C@H]1CCN(C1)C2CCCC2 270004a_100015203821_100000210133 [0,0,0,2,0,0|2,0,0]=4 20931 B12R2.6 F[C@H]1CCN(C1)C2CCCC2 34a_100015203821_100000179811 [0,0,0,2,0,0|2,0,0]=4 20932 B12R2.6 OC1CCC(C1)N2CCCC2 270004a_100000188435_100012614533 [0,0,0,2,0,0|1,0,0]=3 20933 B12R2.6 OC1CCC(C1)N2CCSC2 270004a_100011215254_100012614533 [0,0,0,2,0,0|2,0,0]=4 20934 B12R2.6 OC1CCN(C1)C2CCCC2 2230a_100011215560_100000179811 [0,0,0,2,0,0|1,0,0]=3 20935 B12R2.6 OC1CCN(C1)C2CCCC2 269982a_100011215560_100000179811 [0,0,0,2,0,0|1,0,0]=3 20936 B12R2.6 OC1CCN(C1)C2CCCC2 270004a_100011215560_100000210133 [0,0,0,2,0,0|1,0,0]=3 20937 B12R2.6 OC1CCN(C1)C2CCOC2 2230a_100011215560_100000731011 [0,0,0,2,0,0|2,0,0]=4 20938 B12R2.6 OC1CCN(C1)C2CCOC2 269982a_100011215560_100000731011 [0,0,0,2,0,0|2,0,0]=4 20939 B12R2.6 OC1CCN(C1)C2CCOC2 270004a_100011215560_100000752484 [0,0,0,2,0,0|2,0,0]=4 20940 B12R2.6 OC1CCN(C1)C2CCSC2 270004a_100011215560_100000212027 [0,0,0,2,0,0|2,0,0]=4 20941 B12R2.12 CC1CCN1CC2CCCC2 269982a_100000755817_100000740388 [0,0,0,2,0,0|2,0,0]=4 20942 B12R2.12 CC1CCN1CC2CCCC2 34a_100000755817_100000740388 [0,0,0,2,0,0|2,0,0]=4 20943 B12R2.20 CC1CC1COC2CCCC2 34a_100000744939_100000179811 [0,0,0,2,0,0|2,0,0]=4 20944 B12R2.20 CC1CC1COC2CCCC2 7a_100000744939_100000179811 [0,0,0,2,0,0|2,0,0]=4 20945 B12R2.34 CCC1CN(C1)C2CCCC2 2230a_100015205115_100000179811 [0,0,0,2,0,0|2,0,0]=4 20946 B12R2.34 CCC1CN(C1)C2CCCC2 269982a_100015205115_100000179811 [0,0,0,2,0,0|2,0,0]=4 20947 B12R2.34 CCC1CN(C1)C2CCCC2 270004a_100015205115_100000210133 [0,0,0,2,0,0|2,0,0]=4 20948 B12R2.44 COC1CCC2CCCC2C1 34a_100000073670_200000210301 [0,0,0,2,0,0|2,0,0]=4 20949 B12R2.44 COC1CCC2CCCC2C1 7a_100000073670_200000210301 [0,0,0,2,0,0|2,0,0]=4 20950 B12R2.44 [13CH3]OC1CCC2CCCC2C1 34a_100000073670_200025704644 [0,0,0,2,0,0|2,0,0]=4 20951 B12R2.44 [13CH3]OC1CCC2CCCC2C1 7a_100000073670_200025704644 [0,0,0,2,0,0|2,0,0]=4 20952 B12R2.134 C[C@H]1[C@H](CN1C2CCCC2)O 2230a_206633788156_100000179811 [0,0,0,2,0,0|1,0,0]=3 20953 B12R2.134 C[C@H]1[C@H](CN1C2CCCC2)O 269982a_206633788156_100000179811 [0,0,0,2,0,0|1,0,0]=3 20954 B12R2.134 C[C@H]1[C@H](CN1C2CCCC2)O 270004a_206633788156_100000210133 [0,0,0,2,0,0|1,0,0]=3 20955 B12R2.134 C[C@H]1[C@H](CN1C2CCOC2)O 2230a_206633788156_100000731011 [0,0,0,2,0,0|2,0,0]=4 20956 B12R2.134 C[C@H]1[C@H](CN1C2CCOC2)O 269982a_206633788156_100000731011 [0,0,0,2,0,0|2,0,0]=4 20957 B12R2.134 C[C@H]1[C@H](CN1C2CCOC2)O 270004a_206633788156_100000752484 [0,0,0,2,0,0|2,0,0]=4 20958 B12R2.134 C[C@H]1[C@H](CN1C2CCSC2)O 270004a_206633788156_100000212027 [0,0,0,2,0,0|2,0,0]=4 20959 B12R2.1596 CC(N[13CH3])C1CC2CCC1C2 2230a_100000680918_200025704644 [0,0,0,2,0,0|2,0,0]=4 20960 B12R2.1596 CC(N[13CH3])C1CC2CCC1C2 34a_100000680918_200025704644 [0,0,0,2,0,0|2,0,0]=4 20961 B12R2.1596 CCC(=O)C1CC2CCC1C2 1458a_100000181847_100000210202 [0,0,0,2,0,0|0,0,2]=4 20962 B12R2.1596 CCC(=O)C1CC2CCC1C2 1458a_100000210414_100000727232 [0,0,0,2,0,0|0,0,2]=4 20963 B12R2.1596 CCC(C)N1CC2CCC1C2 2230a_100000743476_100000758301 [0,0,0,2,0,0|2,0,0]=4 20964 B12R2.1596 CCC(C)N1CC2CCC1C2 269982a_100000743476_100000758301 [0,0,0,2,0,0|2,0,0]=4 20965 B12R2.1596 CCC(C)N1CC2CCC1C2 34a_100000743476_100011215416 [0,0,0,2,0,0|2,0,0]=4 20966 B12R2.1596 CCN(C)C1CC2CCC1C2 2230a_200000720876_100000210202 [0,0,0,2,0,0|2,0,0]=4 20967 B12R2.1596 CCN(C)C1CC2CCC1C2 269982a_100000225621_100000727232 [0,0,0,2,0,0|2,0,0]=4 20968 B12R2.1596 CCN(C)C1CC2CCC1C2 269982a_200000720876_100000204670 [0,0,0,2,0,0|2,0,0]=4 20969 B12R2.1596 CCN(C)C1CC2CCC1C2 34a_200000720876_100000210202 [0,0,0,2,0,0|2,0,0]=4 20970 B12R2.1596 CNC(C)C1CC2CCC1C2 2230a_100000680918_200000210301 [0,0,0,2,0,0|2,0,0]=4 20971 B12R2.1596 CNC(C)C1CC2CCC1C2 269862a_106832991636_100012706822 [0,0,0,2,0,0|2,0,0]=4 20972 B12R2.1596 CNC(C)C1CC2CCC1C2 34a_100000680918_200000210301 [0,0,0,2,0,0|2,0,0]=4 20973 B12R2.1858 CCN1CCC2(C1)CCCC2 2230a_100000764703_100000210202 [0,0,0,2,0,0|2,0,0]=4 20974 B12R2.1858 CCN1CCC2(C1)CCCC2 269982a_100000764703_100000204670 [0,0,0,2,0,0|2,0,0]=4 20975 B12R2.1858 CCN1CCC2(C1)CCCC2 34a_100000764703_100000210202 [0,0,0,2,0,0|2,0,0]=4 20976 B12R2.2056 C1CC(C1)CNC2CCCC2 2230a_100000211070_100000763275 [0,0,0,2,0,0|2,0,0]=4 20977 B12R2.2056 C1CC(C1)CNC2CCCC2 2230a_100000738700_100000179811 [0,0,0,2,0,0|2,0,0]=4 20978 B12R2.2056 C1CC(C1)CNC2CCCC2 269862a_100000211070_100000753134 [0,0,0,2,0,0|2,0,0]=4 20979 B12R2.2056 C1CC(C1)CNC2CCCC2 270004a_100000738700_100000210133 [0,0,0,2,0,0|2,0,0]=4 20980 B12R2.2056 C1CC(C1)CNC2CCCC2 34a_100000211070_100000763275 [0,0,0,2,0,0|2,0,0]=4 20981 B12R2.2056 C1CC(C1)CNC2CCCC2 34a_100000738700_100000179811 [0,0,0,2,0,0|2,0,0]=4 20982 B12R2.2056 C1CC(C1)COC2CCCC2 34a_100000210269_100000763275 [0,0,0,2,0,0|2,0,0]=4 20983 B12R2.2056 C1CC(C1)COC2CCCC2 34a_100000760304_100000179811 [0,0,0,2,0,0|2,0,0]=4 20984 B12R2.2056 C1CC(C1)COC2CCCC2 7a_100000210269_100000763275 [0,0,0,2,0,0|2,0,0]=4 20985 B12R2.2056 C1CC(C1)CSC2CCCC2 62a_100000763275_100000179811 [0,0,0,2,0,0|2,0,0]=4 20986 B12R2.2056 C1CC(C1)CSC2CCCC2 62a_100011217020_100000763275 [0,0,0,2,0,0|2,0,0]=4 20987 B12R2.2056 C1CC(CO1)NC[C@@H]2CCO2 2230a_100020831831_100000731011 [0,0,0,2,0,0|2,0,0]=4 20988 B12R2.2056 C1CC(CO1)NC[C@@H]2CCO2 270004a_100020831831_100000752484 [0,0,0,2,0,0|2,0,0]=4 20989 B12R2.2056 C1CC(CO1)NC[C@@H]2CCO2 34a_100020831831_100000690089 [0,0,0,2,0,0|2,0,0]=4 20990 B12R2.2056 C1CC(CO1)OCC2CCO2 34a_100000039022_100000690089 [0,0,0,2,0,0|2,0,0]=4 20991 B12R2.2056 C1CC(CO1)SCC2CCO2 62a_100000103362_100000690089 [0,0,0,2,0,0|2,0,0]=4 20992 B12R2.2056 C1CC(O1)COC2CCSC2 7a_100011232664_100000103362 [0,0,0,2,0,0|2,0,0]=4 20993 B12R2.2056 C1CCC(C1)CCN2CCC2 269982a_100000754969_100000760354 [0,0,0,2,0,0|2,0,0]=4 20994 B12R2.2056 C1CCC(C1)CNC2CCC2 2230a_100000749019_100000740388 [0,0,0,2,0,0|2,0,0]=4 20995 B12R2.2056 C1CCC(C1)CNC2CCC2 269862a_100000749019_100000746403 [0,0,0,2,0,0|2,0,0]=4 20996 B12R2.2056 C1CCC(C1)CNC2CCC2 270004a_100000737975_100000241760 [0,0,0,2,0,0|2,0,0]=4 20997 B12R2.2056 C1CCC(C1)CNC2CCC2 34a_100000737975_100000749161 [0,0,0,2,0,0|2,0,0]=4 20998 B12R2.2056 C1CCC(C1)CNC2CCC2 34a_100000749019_100000740388 [0,0,0,2,0,0|2,0,0]=4 20999 B12R2.2056 C1CCC(C1)COC2CCC2 34a_100000742336_100000749161 [0,0,0,2,0,0|2,0,0]=4 21000 B12R2.2056 C1CCC(C1)COC2CCC2 34a_100000748187_100000740388 [0,0,0,2,0,0|2,0,0]=4 21001 B12R2.2056 C1CCC(C1)CSC2CCC2 62a_100000740388_100000749161 [0,0,0,2,0,0|2,0,0]=4 21002 B12R2.2056 C1CCC(C1)NCC2CCO2 2230a_100000211070_100000103362 [0,0,0,2,0,0|1,0,0]=3 21003 B12R2.2056 C1CCC(C1)NCC2CCO2 34a_100000211070_100000103362 [0,0,0,2,0,0|1,0,0]=3 21004 B12R2.2056 C1CCC(C1)NC[C@@H]2CCO2 2230a_100020831831_100000179811 [0,0,0,2,0,0|1,0,0]=3 21005 B12R2.2056 C1CCC(C1)NC[C@@H]2CCO2 270004a_100020831831_100000210133 [0,0,0,2,0,0|1,0,0]=3 21006 B12R2.2056 C1CCC(C1)NC[C@@H]2CCO2 34a_100020831831_100000179811 [0,0,0,2,0,0|1,0,0]=3 21007 B12R2.2056 C1CCC(C1)OCC2CCO2 34a_100000039022_100000179811 [0,0,0,2,0,0|1,0,0]=3 21008 B12R2.2056 C1CCC(C1)OCC2CCO2 34a_100000210269_100000103362 [0,0,0,2,0,0|1,0,0]=3 21009 B12R2.2056 C1CCC(C1)OCC2CCO2 7a_100000210269_100000103362 [0,0,0,2,0,0|1,0,0]=3 21010 B12R2.2056 C1CCC(C1)SCC2CCO2 62a_100000103362_100000179811 [0,0,0,2,0,0|1,0,0]=3 21011 B12R2.2056 C1CCC(C1)SCC2CCO2 62a_100011217020_100000103362 [0,0,0,2,0,0|1,0,0]=3 21012 B12R2.2056 C1COC(C1)OCC2CCO2 34a_100000085407_100000103362 [0,0,0,2,0,0|2,0,0]=4 21013 B12R2.2056 C1C[C@@H](CO1)NCC2CCO2 2230a_100015188467_100000103362 [0,0,0,2,0,0|2,0,0]=4 21014 B12R2.2056 C1C[C@@H](CO1)NCC2CCO2 34a_100015188467_100000103362 [0,0,0,2,0,0|2,0,0]=4 21015 B12R2.2056 C1C[C@@H](CO1)OCC2CCO2 34a_100000717292_100000103362 [0,0,0,2,0,0|2,0,0]=4 21016 B12R2.2056 C1C[C@H](CO1)NCC2CCO2 2230a_200015188469_100000103362 [0,0,0,2,0,0|2,0,0]=4 21017 B12R2.2056 C1C[C@H](O1)CNC2CCSC2 270004a_100020831831_100000212027 [0,0,0,2,0,0|2,0,0]=4 21018 B12R2.2399 CC1(CC1)CNC2CCCC2 2230a_100000766693_100000179811 [0,0,0,2,0,0|2,0,0]=4 21019 B12R2.2399 CC1(CC1)CNC2CCCC2 270004a_100000766693_100000210133 [0,0,0,2,0,0|2,0,0]=4 21020 B12R2.2399 CC1(CC1)COC2CCCC2 7a_100000698024_100000179811 [0,0,0,2,0,0|2,0,0]=4 21021 B12R2.2399 CC1(CC1)NCC2CCCC2 2230a_100000757604_100000740388 [0,0,0,2,0,0|2,0,0]=4 21022 B12R2.2399 CC1(CC1)OCC2CCCC2 7a_100011725673_100000740388 [0,0,0,2,0,0|2,0,0]=4 21023 B12R2.2399 FC1(CC1)COC2CCCC2 34a_200000703853_100000179811 [0,0,0,2,0,0|2,0,0]=4 21024 B12R2.2399 FC1(CC1)COC2CCCC2 7a_200000703853_100000179811 [0,0,0,2,0,0|2,0,0]=4 21025 B12R2.2399 OC1(CC1)CNC2CCCC2 2230a_100011936951_100000179811 [0,0,0,2,0,0|1,0,0]=3 21026 B12R2.2399 OC1(CC1)CNC2CCCC2 270004a_100011936951_100000210133 [0,0,0,2,0,0|1,0,0]=3 21027 B12R2.2399 OC1(CC1)CNC2CCOC2 2230a_100011936951_100000731011 [0,0,0,2,0,0|2,0,0]=4 21028 B12R2.2399 OC1(CC1)CNC2CCOC2 270004a_100011936951_100000752484 [0,0,0,2,0,0|2,0,0]=4 21029 B12R2.2399 OC1(CC1)CNC2CCSC2 270004a_100011936951_100000212027 [0,0,0,2,0,0|2,0,0]=4 21030 B12R2.1974 CCCCNC1CCC2C1C2 269862a_100000102301_100000692480 [0,0,0,2,0,0|2,0,0]=4 21031 B12R2.1974 CCCCNC1CCC2C1C2 270004a_100000102301_100000692480 [0,0,0,2,0,0|2,0,0]=4 21032 B12R2.1974 CCCCOC1CCC2C1C2 34a_200012295571_100000210210 [0,0,0,2,0,0|2,0,0]=4 21033 B12R2.2110 CCCCCN1CC2CC2C1 2230a_100000741873_100000210326 [0,0,0,2,0,0|2,0,0]=4 21034 B12R2.2110 CCCCCN1CC2CC2C1 269982a_100000741873_100000210215 [0,0,0,2,0,0|2,0,0]=4 21035 B12R2.2110 CCCCCN1CC2CC2C1 34a_100000741873_100000718602 [0,0,0,2,0,0|2,0,0]=4 21036 B12R2.2110 CCCCNC1CC2CC2C1 270004a_100000102301_100010340937 [0,0,0,2,0,0|2,0,0]=4 21037 B12R2.2298 CC1CCC(C1)NCC2CC2 270004a_100000735609_100011215218 [0,0,0,2,0,0|2,0,0]=4 21038 B12R2.2298 CC1CCC(C1)OCC2CC2 34a_100000698185_100000742324 [0,0,0,2,0,0|2,0,0]=4 21039 B12R2.2298 C[C@@H]1CCN(C1)CCC2CC2 2230a_100016987628_100000694398 [0,0,0,2,0,0|2,0,0]=4 21040 B12R2.2298 C[C@@H]1CCN(C1)CCC2CC2 269982a_100016987628_100000694398 [0,0,0,2,0,0|2,0,0]=4 21041 B12R2.2298 C[C@@H]1CCN(C1)CCC2CC2 34a_100016987628_100000694398 [0,0,0,2,0,0|2,0,0]=4 21042 B12R2.2298 F[C@H]1CCN(C1)CCC2CC2 2230a_100015203821_100000694398 [0,0,0,2,0,0|2,0,0]=4 21043 B12R2.2298 F[C@H]1CCN(C1)CCC2CC2 269982a_100015203821_100000694398 [0,0,0,2,0,0|2,0,0]=4 21044 B12R2.2298 F[C@H]1CCN(C1)CCC2CC2 34a_100015203821_100000694398 [0,0,0,2,0,0|2,0,0]=4 21045 B12R2.2298 OC1CCC(C1)NCC2CC2 270004a_100000735609_100012614533 [0,0,0,2,0,0|1,0,0]=3 21046 B12R2.2298 OC1CCN(C1)CCC2CC2 2230a_100011215560_100000694398 [0,0,0,2,0,0|1,0,0]=3 21047 B12R2.2298 OC1CCN(C1)CCC2CC2 269982a_100011215560_100000694398 [0,0,0,2,0,0|1,0,0]=3 21048 B12R2.2298 OC1CCN(C1)CCC2CO2 2230a_100011215560_100000732470 [0,0,0,2,0,0|2,0,0]=4 21049 B12R2.2298 OC1CCN(C1)CCC2CO2 269982a_100011215560_100000732470 [0,0,0,2,0,0|2,0,0]=4 21050 B12R2.2298 O[C@@H]1CC[C@@H](C1)NCC2CC2 2230a_100015195300_100000742324 [0,0,0,2,0,0|1,0,0]=3 21051 B12R2.2298 O[C@@H]1CC[C@@H](C1)NCC2CC2 269862a_100015195300_100000741477 [0,0,0,2,0,0|1,0,0]=3 21052 B12R2.2298 O[C@@H]1CC[C@@H](C1)NCC2CO2 2230a_100015195300_100011216344 [0,0,0,2,0,0|2,0,0]=4 21053 B12R2.2301 CC1CCC(C1)OC2CCC2 34a_100000698185_100000749161 [0,0,0,2,0,0|2,0,0]=4 21054 B12R2.2301 C[C@@H]1CCN(C1)CC2CCC2 2230a_100016987628_100000763275 [0,0,0,2,0,0|2,0,0]=4 21055 B12R2.2301 C[C@@H]1CCN(C1)CC2CCC2 269982a_100016987628_100000763275 [0,0,0,2,0,0|2,0,0]=4 21056 B12R2.2301 C[C@@H]1CCN(C1)CC2CCC2 34a_100016987628_100000763275 [0,0,0,2,0,0|2,0,0]=4 21057 B12R2.2301 F[C@H]1CCN(C1)CC2CCC2 2230a_100015203821_100000763275 [0,0,0,2,0,0|2,0,0]=4 21058 B12R2.2301 F[C@H]1CCN(C1)CC2CCC2 269982a_100015203821_100000763275 [0,0,0,2,0,0|2,0,0]=4 21059 B12R2.2301 F[C@H]1CCN(C1)CC2CCC2 34a_100015203821_100000763275 [0,0,0,2,0,0|2,0,0]=4 21060 B12R2.2301 OC1CCC(C1)NC2COC2 270004a_100016991112_100012614533 [0,0,0,2,0,0|2,0,0]=4 21061 B12R2.2301 OC1CCC(C1)NC2CSC2 270004a_100016994217_100012614533 [0,0,0,2,0,0|2,0,0]=4 21062 B12R2.2301 OC1CCN(C1)CC2CCC2 2230a_100011215560_100000763275 [0,0,0,2,0,0|1,0,0]=3 21063 B12R2.2301 OC1CCN(C1)CC2CCC2 269982a_100011215560_100000763275 [0,0,0,2,0,0|1,0,0]=3 21064 B12R2.2301 OC1CCN(C1)CC2CCO2 2230a_100011215560_100000103362 [0,0,0,2,0,0|2,0,0]=4 21065 B12R2.2301 OC1CCN(C1)CC2CCO2 269982a_100011215560_100000103362 [0,0,0,2,0,0|2,0,0]=4 21066 B12R2.2301 OC1CCN(C1)CC2COC2 2230a_100011215560_100010264016 [0,0,0,2,0,0|2,0,0]=4 21067 B12R2.2301 OC1CCN(C1)CC2COC2 269982a_100011215560_100010264016 [0,0,0,2,0,0|2,0,0]=4 21068 B12R2.2301 O[C@@H]1CC[C@@H](C1)NC2CCC2 270004a_100015195300_100000241760 [0,0,0,2,0,0|1,0,0]=3 21069 B12R2.2336 CCCCN1CC2CCC1C2 2230a_100000743476_100000210211 [0,0,0,2,0,0|2,0,0]=4 21070 B12R2.2336 CCCCN1CC2CCC1C2 269982a_100000743476_100000210211 [0,0,0,2,0,0|2,0,0]=4 21071 B12R2.2336 CCCCN1CC2CCC1C2 34a_100000743476_100000210210 [0,0,0,2,0,0|2,0,0]=4 21072 B12R2.2336 CCCNC1CC2CCC1C2 2230a_100000758229_100000210303 [0,0,0,2,0,0|2,0,0]=4 21073 B12R2.2336 CCCNC1CC2CCC1C2 269862a_100020643023_100000223372 [0,0,0,2,0,0|2,0,0]=4 21074 B12R2.2336 CCCNC1CC2CCC1C2 270004a_100020643023_100000223372 [0,0,0,2,0,0|2,0,0]=4 21075 B12R2.2336 CCCNC1CC2CCC1C2 34a_100000758229_100000210303 [0,0,0,2,0,0|2,0,0]=4 21076 B12R2.2336 CCCOC1CC2CCC1C2 34a_100000210258_100000727232 [0,0,0,2,0,0|2,0,0]=4 21077 B12R2.2336 CCCOC1CC2CCC1C2 34a_100000211339_100000210303 [0,0,0,2,0,0|2,0,0]=4 21078 B12R2.2336 CCCSC1CC2CCC1C2 62a_100000210303_100000727232 [0,0,0,2,0,0|2,0,0]=4 21079 B12R2.2336 CCCSC1CC2CCC1C2 62a_100000727232_100000210303 [0,0,0,2,0,0|2,0,0]=4 21080 B12R2.2336 CCNCC1CC2CCC1C2 269862a_100015525214_100000697602 [0,0,0,2,0,0|2,0,0]=4 21081 B12R2.2336 CCNCC1CC2CCC1C2 270004a_100015525214_100000697602 [0,0,0,2,0,0|2,0,0]=4 21082 B12R2.2336 CCOCC1CC2CCC1C2 34a_100000229996_100000210202 [0,0,0,2,0,0|2,0,0]=4 21083 B12R2.23 CC1CCN1C2CCCCC2 269982a_100000755817_100000210327 [0,0,0,2,0,0|2,0,0]=4 21084 B12R2.23 CC1CCN1C2CCCCC2 34a_100000755817_100000210327 [0,0,0,2,0,0|2,0,0]=4 21085 B12R2.32 CCN1C[C@H]2CCCC[C@H]2C1 2230a_100015204113_100000210202 [0,0,0,2,0,0|2,0,0]=4 21086 B12R2.32 CCN1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_100000204670 [0,0,0,2,0,0|2,0,0]=4 21087 B12R2.32 CCN1C[C@H]2CCCC[C@H]2C1 34a_100015204113_100000210202 [0,0,0,2,0,0|2,0,0]=4 21088 B12R2.94 CC1(CC1)OC2CCCCC2 7a_100011725673_100000210327 [0,0,0,2,0,0|2,0,0]=4 21089 B12R2.1561 CCC(C)N1C2CCC1CC2 2230a_100000735658_100000758301 [0,0,0,2,0,0|2,0,0]=4 21090 B12R2.1561 CCC(C)N1C2CCC1CC2 269982a_100000735658_100000758301 [0,0,0,2,0,0|2,0,0]=4 21091 B12R2.1561 CCC(C)N1C2CCC1CC2 34a_100000735658_100011215416 [0,0,0,2,0,0|2,0,0]=4 21092 B12R2.1561 CCN(C)C1C2CCC1CC2 269982a_100000225621_100009813300 [0,0,0,2,0,0|2,0,0]=4 21093 B12R2.1619 CCC(C)CN1CC2CC2C1 2230a_100000741873_100000748023 [0,0,0,2,0,0|2,0,0]=4 21094 B12R2.1619 CCC(C)CN1CC2CC2C1 269982a_100000741873_100000748023 [0,0,0,2,0,0|2,0,0]=4 21095 B12R2.1619 CCC(C)CN1CC2CC2C1 270004a_100000741873_100000243153 [0,0,0,2,0,0|2,0,0]=4 21096 B12R2.1619 CCC(C)CN1CC2CC2C1 34a_100000741873_100000748023 [0,0,0,2,0,0|2,0,0]=4 21097 B12R2.1619 CCC(C)NC1CC2CC2C1 270004a_100000209981_100010340937 [0,0,0,2,0,0|2,0,0]=4 21098 B12R2.1619 CCC(O)CN1CC2CC2C1 2230a_100000741873_100011218378 [0,0,0,2,0,0|1,0,0]=3 21099 B12R2.1619 CCC(O)CN1CC2CC2C1 269982a_100000741873_100011218378 [0,0,0,2,0,0|1,0,0]=3 21100 B12R2.1619 CCC(O)CN1CC2CC2C1 34a_100000741873_100011218378 [0,0,0,2,0,0|1,0,0]=3 21101 B12R2.1619 CC[C@H](C)CN1CC2CC2C1 2230a_100000741873_100009816398 [0,0,0,2,0,0|2,0,0]=4 21102 B12R2.1619 CC[C@H](C)CN1CC2CC2C1 269982a_100000741873_100009816398 [0,0,0,2,0,0|2,0,0]=4 21103 B12R2.1619 CC[C@H](C)CN1CC2CC2C1 34a_100000741873_100009816398 [0,0,0,2,0,0|2,0,0]=4 21104 B12R2.1619 OCC(O)CN1CC2CC2C1 2230a_100000741873_100011219619 [0,0,0,2,0,0|2,0,0]=4 21105 B12R2.1619 OCC(O)CN1CC2CC2C1 34a_100000741873_100011219619 [0,0,0,2,0,0|2,0,0]=4 21106 B12R2.1619 OC[C@H](O)CN1CC2CC2C1 2230a_100000741873_100009815848 [0,0,0,2,0,0|2,0,0]=4 21107 B12R2.1619 OC[C@H](O)CN1CC2CC2C1 34a_100000741873_100009815848 [0,0,0,2,0,0|2,0,0]=4 21108 B12R2.1619 O[C@@H](CF)CN1CC2CC2C1 2230a_100000741873_100015614560 [0,0,0,2,0,0|2,0,0]=4 21109 B12R2.1619 O[C@@H](CF)CN1CC2CC2C1 34a_100000741873_100015614560 [0,0,0,2,0,0|2,0,0]=4 21110 B12R2.2058 C1CC(O1)CN2CCSCC2 2230a_100000737611_100000103362 [0,0,0,2,0,0|2,0,0]=4 21111 B12R2.2058 C1CC(O1)CN2CCSCC2 269982a_100000737611_100000103362 [0,0,0,2,0,0|2,0,0]=4 21112 B12R2.2058 C1CCC(CC1)CN2CCC2 269982a_100000754969_100000211423 [0,0,0,2,0,0|2,0,0]=4 21113 B12R2.2058 C1CCC(CC1)NC2CCC2 270004a_100000182618_100000241760 [0,0,0,2,0,0|2,0,0]=4 21114 B12R2.2058 C1CCC(CC1)NC2CCC2 34a_100000182618_100000749161 [0,0,0,2,0,0|2,0,0]=4 21115 B12R2.2058 C1CCC(CC1)NC2CCC2 34a_100000749019_100000210327 [0,0,0,2,0,0|2,0,0]=4 21116 B12R2.2058 C1CCC(CC1)OC2CCC2 34a_100000210231_100000749161 [0,0,0,2,0,0|2,0,0]=4 21117 B12R2.2058 C1CCC(CC1)OC2CCC2 34a_100000748187_100000210327 [0,0,0,2,0,0|2,0,0]=4 21118 B12R2.2058 C1CCC(CC1)SC2CCC2 62a_100000210327_100000749161 [0,0,0,2,0,0|2,0,0]=4 21119 B12R2.2058 C1CN(CCO1)CC2CCO2 2230a_100015191051_100000103362 [0,0,0,2,0,0|2,0,0]=4 21120 B12R2.2058 C1CN(CCO1)CC2CCO2 269982a_100015191051_100000103362 [0,0,0,2,0,0|2,0,0]=4 21121 B12R2.2058 C1CN(CCO1)CC2CCO2 34a_100015191051_100000103362 [0,0,0,2,0,0|2,0,0]=4 21122 B12R2.2058 C1COCN(C1)CC2CCO2 2230a_100000131196_100000103362 [0,0,0,2,0,0|2,0,0]=4 21123 B12R2.2058 C1COCN(C1)CC2CCO2 269982a_100000131196_100000103362 [0,0,0,2,0,0|2,0,0]=4 21124 B12R2.2058 C1COCN(C1)CC2CCO2 34a_100000131196_100000103362 [0,0,0,2,0,0|2,0,0]=4 21125 B12R2.3511 CCC(=O)[C@H]1[C@H]2[C@@H]1CCCC2 1458a_100153394716_100000210202 [0,0,0,2,0,0|0,0,2]=4 21126 B12R2.4322 CCC(C)NC1CCC2C1C2 269862a_100000209981_100000692480 [0,0,0,2,0,0|2,0,0]=4 21127 B12R2.4322 CCC(C)NC1CCC2C1C2 270004a_100000209981_100000692480 [0,0,0,2,0,0|2,0,0]=4 21128 B12R2.4322 CCC(C)OC1CCC2C1C2 34a_200012295571_100011215416 [0,0,0,2,0,0|2,0,0]=4 21129 B12R2.423 CC1CC1COCCC2CC2 34a_100000744939_100000694398 [0,0,0,2,0,0|2,0,0]=4 21130 B12R2.423 CC1CC1COCCC2CC2 7a_100000744939_100000764125 [0,0,0,2,0,0|2,0,0]=4 21131 B12R2.444 CC1CC1COCC2CCC2 34a_100000744939_100000763275 [0,0,0,2,0,0|2,0,0]=4 21132 B12R2.444 CC1CC1COCC2CCC2 7a_100000744939_100000763275 [0,0,0,2,0,0|2,0,0]=4 21133 B12R2.444 CC1CC1COCC2CCO2 34a_100000744939_100000103362 [0,0,0,2,0,0|1,0,0]=3 21134 B12R2.444 CC1CC1COCC2CCO2 7a_100000744939_100000103362 [0,0,0,2,0,0|1,0,0]=3 21135 B12R2.517 CC1CCCCN1C2CCC2 269982a_100000211376_100000749161 [0,0,0,2,0,0|2,0,0]=4 21136 B12R2.517 CC1CCCCN1C2CCC2 270004a_100000211376_100000241760 [0,0,0,2,0,0|2,0,0]=4 21137 B12R2.517 CC1CCCCN1C2CCC2 34a_100000211376_100000749161 [0,0,0,2,0,0|2,0,0]=4 21138 B12R2.1114 CC1CCCC1NC2CCC2 269862a_100000749019_100000752053 [0,0,0,2,0,0|2,0,0]=4 21139 B12R2.1114 CC1CCCC1OC2CCC2 34a_100011216460_100000749161 [0,0,0,2,0,0|2,0,0]=4 21140 B12R2.1114 CC1SCCN1CC2CCO2 2230a_200011216479_100000103362 [0,0,0,2,0,0|2,0,0]=4 21141 B12R2.1114 CC1SCCN1CC2CCO2 269982a_200011216479_100000103362 [0,0,0,2,0,0|2,0,0]=4 21142 B12R2.1114 CC1SCCN1CC2CCO2 34a_200011216479_100000103362 [0,0,0,2,0,0|2,0,0]=4 21143 B12R2.1114 C[C@@H]1CCCN1CC2CCC2 2230a_100015189458_100000763275 [0,0,0,2,0,0|2,0,0]=4 21144 B12R2.1114 C[C@@H]1CCCN1CC2CCC2 269982a_100015189458_100000763275 [0,0,0,2,0,0|2,0,0]=4 21145 B12R2.1114 C[C@@H]1CCCN1CC2CCC2 34a_100015189458_100000763275 [0,0,0,2,0,0|2,0,0]=4 21146 B12R2.1114 C[C@@H]1CCCN1CC2CCO2 2230a_100015189458_100000103362 [0,0,0,2,0,0|1,0,0]=3 21147 B12R2.1114 C[C@@H]1CCCN1CC2CCO2 269982a_100015189458_100000103362 [0,0,0,2,0,0|1,0,0]=3 21148 B12R2.1114 C[C@@H]1CCCN1CC2CCO2 34a_100015189458_100000103362 [0,0,0,2,0,0|1,0,0]=3 21149 B12R2.1114 C[C@H]1CCCN1CC2CCC2 2230a_100020605311_100000763275 [0,0,0,2,0,0|2,0,0]=4 21150 B12R2.1114 C[C@H]1CCCN1CC2CCC2 269982a_100020605311_100000763275 [0,0,0,2,0,0|2,0,0]=4 21151 B12R2.1114 C[C@H]1CCCN1CC2CCO2 2230a_100020605311_100000103362 [0,0,0,2,0,0|1,0,0]=3 21152 B12R2.1114 C[C@H]1CCCN1CC2CCO2 269982a_100020605311_100000103362 [0,0,0,2,0,0|1,0,0]=3 21153 B12R2.2140 CCC1CCCN1C2CCC2 269982a_100000754278_100000749161 [0,0,0,2,0,0|2,0,0]=4 21154 B12R2.2140 CCC1CCCN1C2CCC2 270004a_100000754278_100000241760 [0,0,0,2,0,0|2,0,0]=4 21155 B12R2.2140 CCC1CCCN1C2CCC2 34a_100000754278_100000749161 [0,0,0,2,0,0|2,0,0]=4 21156 B12R2.2381 C(CC1CC1)NCC2CCO2 34a_100000764129_100000103362 [0,0,0,2,0,0|1,0,0]=3 21157 B12R2.2381 C(CC1CC1)NC[C@@H]2CCO2 2230a_100020831831_100000694398 [0,0,0,2,0,0|1,0,0]=3 21158 B12R2.2381 C(CC1CC1)NC[C@@H]2CCO2 34a_100020831831_100000694398 [0,0,0,2,0,0|1,0,0]=3 21159 B12R2.2381 C(CC1CC1)OCC2CCO2 34a_100000039022_100000694398 [0,0,0,2,0,0|1,0,0]=3 21160 B12R2.2381 C(CC1CC1)OCC2CCO2 34a_100000754188_100000103362 [0,0,0,2,0,0|1,0,0]=3 21161 B12R2.2381 C(CC1CC1)OCC2CCO2 7a_100000754188_100000103362 [0,0,0,2,0,0|1,0,0]=3 21162 B12R2.2381 C(CC1CO1)NC[C@@H]2CCO2 2230a_100020831831_100000732470 [0,0,0,2,0,0|2,0,0]=4 21163 B12R2.2381 C(CC1CO1)NC[C@@H]2CCO2 34a_100020831831_100000732470 [0,0,0,2,0,0|2,0,0]=4 21164 B12R2.2381 C(CC1CO1)OCC2CCO2 34a_100000039022_100000732470 [0,0,0,2,0,0|2,0,0]=4 21165 B12R2.2381 C(C[C@@H]1CO1)OCC2CCO2 34a_100009820653_100000103362 [0,0,0,2,0,0|2,0,0]=4 21166 B12R2.2381 C1CC(C1)CNCCC2CC2 2230a_100000738700_100000694398 [0,0,0,2,0,0|2,0,0]=4 21167 B12R2.2381 C1CC(C1)CNCCC2CC2 269862a_100000764129_100000753134 [0,0,0,2,0,0|2,0,0]=4 21168 B12R2.2381 C1CC(C1)CNCCC2CC2 34a_100000738700_100000694398 [0,0,0,2,0,0|2,0,0]=4 21169 B12R2.2381 C1CC(C1)CNCCC2CC2 34a_100000764129_100000763275 [0,0,0,2,0,0|2,0,0]=4 21170 B12R2.2381 C1CC(C1)COCCC2CC2 34a_100000754188_100000763275 [0,0,0,2,0,0|2,0,0]=4 21171 B12R2.2381 C1CC(C1)COCCC2CC2 34a_100000760304_100000694398 [0,0,0,2,0,0|2,0,0]=4 21172 B12R2.2381 C1CC(C1)COCCC2CC2 7a_100000754188_100000763275 [0,0,0,2,0,0|2,0,0]=4 21173 B12R2.2381 C1CC(C1)CSCCC2CC2 62a_100000763275_100000764125 [0,0,0,2,0,0|2,0,0]=4 21174 B12R2.2381 C1CC(C1)CSCCC2CC2 62a_100000764125_100000763275 [0,0,0,2,0,0|2,0,0]=4 21175 B12R2.2381 C1CC(O1)CSCCC2CC2 62a_100000103362_100000764125 [0,0,0,2,0,0|1,0,0]=3 21176 B12R2.2381 C1CC(O1)CSCCC2CC2 62a_100000764125_100000103362 [0,0,0,2,0,0|1,0,0]=3 21177 B12R2.2381 C1CC(O1)CSCCC2CO2 62a_100000103362_100000732470 [0,0,0,2,0,0|2,0,0]=4 21178 B12R2.2381 C1CC(O1)CSCCC2CO2 62a_100000732470_100000103362 [0,0,0,2,0,0|2,0,0]=4 21179 B12R2.2382 C1CC(C1)CNCC2CCC2 2230a_100000738700_100000763275 [0,0,0,2,0,0|2,0,0]=4 21180 B12R2.2382 C1CC(C1)CNCC2CCC2 269862a_100000738700_100000753134 [0,0,0,2,0,0|2,0,0]=4 21181 B12R2.2382 C1CC(C1)CNCC2CCC2 34a_100000738700_100000763275 [0,0,0,2,0,0|2,0,0]=4 21182 B12R2.2382 C1CC(C1)CNCC2CCO2 2230a_100000738700_100000103362 [0,0,0,2,0,0|1,0,0]=3 21183 B12R2.2382 C1CC(C1)CNCC2CCO2 34a_100000738700_100000103362 [0,0,0,2,0,0|1,0,0]=3 21184 B12R2.2382 C1CC(C1)CNC[C@@H]2CCO2 2230a_100020831831_100000763275 [0,0,0,2,0,0|1,0,0]=3 21185 B12R2.2382 C1CC(C1)CNC[C@@H]2CCO2 269862a_100020831831_100000753134 [0,0,0,2,0,0|1,0,0]=3 21186 B12R2.2382 C1CC(C1)CNC[C@@H]2CCO2 34a_100020831831_100000763275 [0,0,0,2,0,0|1,0,0]=3 21187 B12R2.2382 C1CC(C1)COCC2CCC2 34a_100000760304_100000763275 [0,0,0,2,0,0|2,0,0]=4 21188 B12R2.2382 C1CC(C1)COCC2CCO2 34a_100000039022_100000763275 [0,0,0,2,0,0|1,0,0]=3 21189 B12R2.2382 C1CC(C1)COCC2CCO2 34a_100000760304_100000103362 [0,0,0,2,0,0|1,0,0]=3 21190 B12R2.2382 C1CC(C1)CSCC2CCC2 62a_100000763275_100000763275 [0,0,0,2,0,0|2,0,0]=4 21191 B12R2.2382 C1CC(C1)CSCC2CCO2 62a_100000103362_100000763275 [0,0,0,2,0,0|1,0,0]=3 21192 B12R2.2382 C1CC(C1)CSCC2CCO2 62a_100000763275_100000103362 [0,0,0,2,0,0|1,0,0]=3 21193 B12R2.2382 C1CC(O1)CNCC2COC2 2230a_100015281925_100000103362 [0,0,0,2,0,0|2,0,0]=4 21194 B12R2.2382 C1CC(O1)CNCC2COC2 34a_100015281925_100000103362 [0,0,0,2,0,0|2,0,0]=4 21195 B12R2.2382 C1CC(O1)CNC[C@@H]2CCO2 2230a_100020831831_100000103362 [0,0,0,2,0,0|2,0,0]=4 21196 B12R2.2382 C1CC(O1)CNC[C@@H]2CCO2 34a_100020831831_100000103362 [0,0,0,2,0,0|2,0,0]=4 21197 B12R2.2382 C1CC(O1)COCC2CCO2 34a_100000039022_100000103362 [0,0,0,2,0,0|2,0,0]=4 21198 B12R2.2382 C1CC(O1)COCC2CNC2 34a_100016987283_100000103362 [0,0,0,2,0,0|2,0,0]=4 21199 B12R2.2382 C1CC(O1)COCC2COC2 34a_100000039022_100010264016 [0,0,0,2,0,0|2,0,0]=4 21200 B12R2.2382 C1CC(O1)COCC2COC2 34a_100000060846_100000103362 [0,0,0,2,0,0|2,0,0]=4 21201 B12R2.2382 C1CC(O1)CSCC2CCO2 62a_100000103362_100000103362 [0,0,0,2,0,0|2,0,0]=4 21202 B12R2.2382 C1CC(O1)CSCC2COC2 62a_100000103362_100010264016 [0,0,0,2,0,0|2,0,0]=4 21203 B12R2.2382 C1CC(O1)CSCC2COC2 62a_100010264016_100000103362 [0,0,0,2,0,0|2,0,0]=4 21204 B12R2.2382 C1C[C@H](O1)CNCC2COC2 2230a_100020831831_100010264016 [0,0,0,2,0,0|2,0,0]=4 21205 B12R2.2382 C1C[C@H](O1)CNCC2COC2 34a_100020831831_100010264016 [0,0,0,2,0,0|2,0,0]=4 21206 B12R2.3807 C1CCCC(CC1)N2CCC2 269982a_100000754969_100011217769 [0,0,0,2,0,0|2,0,0]=4 21207 B12R2.3807 C1CCCN(CC1)C2CCC2 269982a_100000185865_100000749161 [0,0,0,2,0,0|2,0,0]=4 21208 B12R2.3807 C1CCCN(CC1)C2CCC2 270004a_100000185865_100000241760 [0,0,0,2,0,0|2,0,0]=4 21209 B12R2.3807 C1CCCN(CC1)C2CCC2 34a_100000185865_100000749161 [0,0,0,2,0,0|2,0,0]=4 21210 B12R2.296 CCC(C)N1CCCC12CC2 2230a_100020620911_100000758301 [0,0,0,2,0,0|2,0,0]=4 21211 B12R2.296 CCC(C)N1CCCC12CC2 269982a_100020620911_100000758301 [0,0,0,2,0,0|2,0,0]=4 21212 B12R2.296 CCC(C)N1CCCC12CC2 34a_100020620911_100011215416 [0,0,0,2,0,0|2,0,0]=4 21213 B12R2.469 CC1CCCN(CC1)C2CC2 269982a_100025706717_100000211595 [0,0,0,2,0,0|2,0,0]=4 21214 B12R2.469 CC1CCCN(CC1)C2CC2 34a_100025706717_100000211595 [0,0,0,2,0,0|2,0,0]=4 21215 B12R2.469 OC1CCCN(CC1)C2CC2 269982a_100015186869_100000211595 [0,0,0,2,0,0|1,0,0]=3 21216 B12R2.4446 CNC1CCCC2(C1)CCC2 270004a_106832991635_100010650267 [0,0,0,2,0,0|2,0,0]=4 21217 B12R2.5146 CCCCN1CCC2(C1)CC2 2230a_100000697357_100000210211 [0,0,0,2,0,0|2,0,0]=4 21218 B12R2.5146 CCCCN1CCC2(C1)CC2 269982a_100000697357_100000210211 [0,0,0,2,0,0|2,0,0]=4 21219 B12R2.5146 CCCCN1CCC2(C1)CC2 34a_100000697357_100000210210 [0,0,0,2,0,0|2,0,0]=4 21220 B12R2.1922 CCC1CN(C1)CC2CCC2 2230a_100015205115_100000763275 [0,0,0,2,0,0|2,0,0]=4 21221 B12R2.1922 CCC1CN(C1)CC2CCC2 269982a_100015205115_100000763275 [0,0,0,2,0,0|2,0,0]=4 21222 B12R2.2513 C[C@H]1[C@H](CN1CC2CCC2)O 2230a_206633788156_100000763275 [0,0,0,2,0,0|1,0,0]=3 21223 B12R2.2513 C[C@H]1[C@H](CN1CC2CCC2)O 269982a_206633788156_100000763275 [0,0,0,2,0,0|1,0,0]=3 21224 B12R2.2513 C[C@H]1[C@H](CN1CC2CCO2)O 2230a_206633788156_100000103362 [0,0,0,2,0,0|2,0,0]=4 21225 B12R2.2513 C[C@H]1[C@H](CN1CC2CCO2)O 269982a_206633788156_100000103362 [0,0,0,2,0,0|2,0,0]=4 21226 B12R2.2513 C[C@H]1[C@H](CN1CC2COC2)O 2230a_206633788156_100010264016 [0,0,0,2,0,0|2,0,0]=4 21227 B12R2.2513 C[C@H]1[C@H](CN1CC2COC2)O 269982a_206633788156_100010264016 [0,0,0,2,0,0|2,0,0]=4 21228 B12R2.5222 CC1(CC1)CNCC2CCC2 2230a_100000766693_100000763275 [0,0,0,2,0,0|2,0,0]=4 21229 B12R2.5222 CC1(CC1)CNCC2CCC2 269862a_100000766693_100000753134 [0,0,0,2,0,0|2,0,0]=4 21230 B12R2.5222 CC1(CC1)COCC2CCC2 7a_100000698024_100000763275 [0,0,0,2,0,0|2,0,0]=4 21231 B12R2.5222 FC1(CC1)COCC2CCC2 34a_200000703853_100000763275 [0,0,0,2,0,0|2,0,0]=4 21232 B12R2.5222 FC1(CC1)COCC2CCC2 7a_200000703853_100000763275 [0,0,0,2,0,0|2,0,0]=4 21233 B12R2.5222 OC1(CC1)CNCC2CCC2 2230a_100011936951_100000763275 [0,0,0,2,0,0|1,0,0]=3 21234 B12R2.5222 OC1(CC1)CNCC2CCC2 269862a_100011936951_100000753134 [0,0,0,2,0,0|1,0,0]=3 21235 B12R2.5222 OC1(CC1)CNCC2CCO2 2230a_100011936951_100000103362 [0,0,0,2,0,0|2,0,0]=4 21236 B12R2.5222 OC1(CC1)CNCC2COC2 2230a_100011936951_100010264016 [0,0,0,2,0,0|2,0,0]=4 21237 B12R2.1243 C[C@H]1[C@H](CN1CCC2CC2)O 2230a_206633788156_100000694398 [0,0,0,2,0,0|1,0,0]=3 21238 B12R2.1243 C[C@H]1[C@H](CN1CCC2CC2)O 269982a_206633788156_100000694398 [0,0,0,2,0,0|1,0,0]=3 21239 B12R2.1243 C[C@H]1[C@H](CN1CCC2CO2)O 2230a_206633788156_100000732470 [0,0,0,2,0,0|2,0,0]=4 21240 B12R2.1243 C[C@H]1[C@H](CN1CCC2CO2)O 269982a_206633788156_100000732470 [0,0,0,2,0,0|2,0,0]=4 21241 B12R2.1919 CCC1CN(C1)CCC2CC2 2230a_100015205115_100000694398 [0,0,0,2,0,0|2,0,0]=4 21242 B12R2.1919 CCC1CN(C1)CCC2CC2 269982a_100015205115_100000694398 [0,0,0,2,0,0|2,0,0]=4 21243 B12R2.5218 CC1(CC1)CNCCC2CC2 2230a_100000766693_100000694398 [0,0,0,2,0,0|2,0,0]=4 21244 B12R2.5218 CC1(CC1)COCCC2CC2 7a_100000698024_100000764125 [0,0,0,2,0,0|2,0,0]=4 21245 B12R2.5218 FC1(CC1)COCCC2CC2 34a_200000703853_100000694398 [0,0,0,2,0,0|2,0,0]=4 21246 B12R2.5218 FC1(CC1)COCCC2CC2 7a_200000703853_100000764125 [0,0,0,2,0,0|2,0,0]=4 21247 B12R2.5218 OC1(CC1)CNCCC2CC2 2230a_100011936951_100000694398 [0,0,0,2,0,0|1,0,0]=3 21248 B12R2.5218 OC1(CC1)CNCCC2CO2 2230a_100011936951_100000732470 [0,0,0,2,0,0|2,0,0]=4 21249 B12R2.4321 CCCCCN1CC2(C1)CC2 2230a_100015196877_100000210326 [0,0,0,2,0,0|2,0,0]=4 21250 B12R2.4321 CCCCCN1CC2(C1)CC2 269982a_100015196877_100000210215 [0,0,0,2,0,0|2,0,0]=4 21251 B12R2.4321 CCCCCN1CC2(C1)CC2 34a_100015196877_100000718602 [0,0,0,2,0,0|2,0,0]=4 21252 B12R2.4321 CCCCNC1CC2(C1)CC2 270004a_100000102301_100000718549 [0,0,0,2,0,0|2,0,0]=4