0 B9R0.46 C#CC(=O)CCCCCC 1458a_100000211873_100000210757 [0,0,0,0,0,0|1,0,3]=4 1 B9R0.46 C#CC(C)NCCCCC 2230a_100000707721_100000210326 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.46 C#CC(C)NCCCCC 34a_100000707721_100000718602 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.46 C#CC(C)OCCCCC 34a_100000210253_200000035995 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.46 C#CC(C)SCCCCC 62a_200000035995_100000210326 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.46 C#CCCCCC(=O)CO 1458a_100000210174_100010269958 [0,0,0,0,0,0|0,0,4]=4 6 B9R0.46 C#CCCCNC(C)CO 34a_100000718082_100012180447 [0,0,0,0,0,0|2,0,2]=4 7 B9R0.46 C#CCCCN[C@H](C)CO 2230a_100000737577_100000731252 [0,0,0,0,0,0|2,0,2]=4 8 B9R0.46 C#CCCCOC(C)CO 34a_100000215630_100012180447 [0,0,0,0,0,0|2,0,2]=4 9 B9R0.46 C#CCCCOC(C)CO 7a_100000215630_100012180447 [0,0,0,0,0,0|2,0,2]=4 10 B9R0.46 C#CCCCSC(C)CO 62a_100012180447_100011215417 [0,0,0,0,0,0|2,0,2]=4 11 B9R0.46 C#CCCCS[C@H](C)CO 62a_100011215417_100016084084 [0,0,0,0,0,0|2,0,2]=4 12 B9R0.46 C#CCCCS[C@H](C)CO 62a_100016084084_100011215417 [0,0,0,0,0,0|2,0,2]=4 13 B9R0.46 C#CCCNCC(C)CO 34a_100000744482_100000688953 [0,0,0,0,0,0|2,0,2]=4 14 B9R0.46 C#CCCNCC(O)CC 2230a_100011218483_100000688953 [0,0,0,0,0,0|2,0,2]=4 15 B9R0.46 C#CCCNCC(O)CC 34a_100000755551_100011218378 [0,0,0,0,0,0|2,0,2]=4 16 B9R0.46 C#CCCNCC(O)CO 34a_100000755551_100011219619 [0,0,0,0,0,0|1,0,2]=3 17 B9R0.46 C#CCCNC[C@@H](C)CO 34a_100000755551_100000059175 [0,0,0,0,0,0|2,0,2]=4 18 B9R0.46 C#CCCNC[C@@H](F)CO 34a_100015665980_100000688953 [0,0,0,0,0,0|2,0,2]=4 19 B9R0.46 C#CCCNC[C@@H](O)CF 34a_100000755551_100015614560 [0,0,0,0,0,0|2,0,2]=4 20 B9R0.46 C#CCCNC[C@@H](O)CO 34a_100000755551_100009815848 [0,0,0,0,0,0|1,0,2]=3 21 B9R0.46 C#CCCNC[C@H](O)CO 2230a_100020644852_100000688953 [0,0,0,0,0,0|1,0,2]=3 22 B9R0.46 C#CCCOCC(O)CC 34a_100011215631_100011218378 [0,0,0,0,0,0|2,0,2]=4 23 B9R0.46 C#CCCOCC(O)CO 34a_100011215631_100011219619 [0,0,0,0,0,0|1,0,2]=3 24 B9R0.46 C#CCCOC[C@@H](C)CO 34a_100011215631_100000059175 [0,0,0,0,0,0|2,0,2]=4 25 B9R0.46 C#CCCOC[C@@H](O)CF 34a_100011215631_100015614560 [0,0,0,0,0,0|2,0,2]=4 26 B9R0.46 C#CCCOC[C@@H](O)CO 34a_100011215631_100009815848 [0,0,0,0,0,0|1,0,2]=3 27 B9R0.46 C#CCCSCC(O)CC 62a_100000688953_100011218378 [0,0,0,0,0,0|2,0,2]=4 28 B9R0.46 C#CCCSCC(O)CC 62a_100011218378_100000688953 [0,0,0,0,0,0|2,0,2]=4 29 B9R0.46 C#CCCSCC(O)CO 62a_100000688953_100011219619 [0,0,0,0,0,0|1,0,2]=3 30 B9R0.46 C#CCCSCC(O)CO 62a_100011219619_100000688953 [0,0,0,0,0,0|1,0,2]=3 31 B9R0.46 C#CCCSC[C@@H](C)CO 62a_100000059175_100000688953 [0,0,0,0,0,0|2,0,2]=4 32 B9R0.46 C#CCCSC[C@@H](C)CO 62a_100000688953_100000059175 [0,0,0,0,0,0|2,0,2]=4 33 B9R0.46 C#CCCSC[C@@H](O)CF 62a_100000688953_100015614560 [0,0,0,0,0,0|2,0,2]=4 34 B9R0.46 C#CCCSC[C@@H](O)CF 62a_100015614560_100000688953 [0,0,0,0,0,0|2,0,2]=4 35 B9R0.46 C#CCCSC[C@@H](O)CO 62a_100000688953_100009815848 [0,0,0,0,0,0|1,0,2]=3 36 B9R0.46 C#CCCSC[C@@H](O)CO 62a_100009815848_100000688953 [0,0,0,0,0,0|1,0,2]=3 37 B9R0.46 C#CCNCCC(C)CO 2230a_106354213184_100000038162 [0,0,0,0,0,0|2,0,2]=4 38 B9R0.46 C#CCNCCC(C)CO 34a_106354213184_100000184674 [0,0,0,0,0,0|2,0,2]=4 39 B9R0.46 C#C[C@@H](C)OCCCCC 34a_100009815206_100000718602 [0,0,0,0,0,0|3,0,1]=4 40 B9R0.46 C#C[C@@H](C)OCCCCC 7a_100009815206_100000210326 [0,0,0,0,0,0|3,0,1]=4 41 B9R0.46 C/C=C/CCOC(C)CO 34a_100016278192_100012180447 [0,0,0,0,0,0|2,0,2]=4 42 B9R0.46 C/C=C/CNCC(C)CO 34a_100000744482_100102629194 [0,0,0,0,0,0|2,0,2]=4 43 B9R0.46 C/C=C/CNC[C@@H](F)CO 34a_100015665980_100102629194 [0,0,0,0,0,0|2,0,2]=4 44 B9R0.46 C/C=C/COCC(O)CC 34a_100016270725_100011218378 [0,0,0,0,0,0|2,0,2]=4 45 B9R0.46 C/C=C/COCC(O)CO 34a_100016270725_100011219619 [0,0,0,0,0,0|1,0,2]=3 46 B9R0.46 C/C=C/COC[C@@H](C)CO 34a_100016270725_100000059175 [0,0,0,0,0,0|2,0,2]=4 47 B9R0.46 C/C=C/COC[C@@H](O)CF 34a_100016270725_100015614560 [0,0,0,0,0,0|2,0,2]=4 48 B9R0.46 C/C=C/COC[C@@H](O)CO 34a_100016270725_100009815848 [0,0,0,0,0,0|1,0,2]=3 49 B9R0.46 C/C=C/CSCC(O)CC 62a_100011218378_100102629194 [0,0,0,0,0,0|2,0,2]=4 50 B9R0.46 C/C=C/CSCC(O)CC 62a_100102629194_100011218378 [0,0,0,0,0,0|2,0,2]=4 51 B9R0.46 C/C=C/CSCC(O)CO 62a_100011219619_100102629194 [0,0,0,0,0,0|1,0,2]=3 52 B9R0.46 C/C=C/CSCC(O)CO 62a_100102629194_100011219619 [0,0,0,0,0,0|1,0,2]=3 53 B9R0.46 C/C=C/CSC[C@@H](C)CO 62a_100000059175_100102629194 [0,0,0,0,0,0|2,0,2]=4 54 B9R0.46 C/C=C/CSC[C@@H](C)CO 62a_100102629194_100000059175 [0,0,0,0,0,0|2,0,2]=4 55 B9R0.46 C/C=C/CSC[C@@H](O)CF 62a_100015614560_100102629194 [0,0,0,0,0,0|2,0,2]=4 56 B9R0.46 C/C=C/CSC[C@@H](O)CF 62a_100102629194_100015614560 [0,0,0,0,0,0|2,0,2]=4 57 B9R0.46 C/C=C/CSC[C@@H](O)CO 62a_100009815848_100102629194 [0,0,0,0,0,0|1,0,2]=3 58 B9R0.46 C/C=C/CSC[C@@H](O)CO 62a_100102629194_100009815848 [0,0,0,0,0,0|1,0,2]=3 59 B9R0.46 C=CC(=O)CCCCCC 1458a_100000185746_100000210757 [0,0,0,0,0,0|1,0,3]=4 60 B9R0.46 C=CC(C)COCCCC 34a_100011215527_100000210210 [0,0,0,0,0,0|3,0,1]=4 61 B9R0.46 C=CC(C)COCCCC 7a_100011215527_100000210211 [0,0,0,0,0,0|3,0,1]=4 62 B9R0.46 C=CC(C)OCCCCC 34a_100000695699_100000718602 [0,0,0,0,0,0|3,0,1]=4 63 B9R0.46 C=CC(C)SCCCCC 62a_100011215867_100000210326 [0,0,0,0,0,0|3,0,1]=4 64 B9R0.46 C=CC(O)CNCCCC 2230a_100000102301_100000730141 [0,0,0,0,0,0|2,0,1]=3 65 B9R0.46 C=CC(O)CNCCCC 7a_106832991798_100000730141 [0,0,0,0,0,0|2,0,1]=3 66 B9R0.46 C=CC(O)CNCCCF 2230a_100015189416_100000730141 [0,0,0,0,0,0|3,0,1]=4 67 B9R0.46 C=CC(O)CNCCCF 34a_100015189416_100000730141 [0,0,0,0,0,0|3,0,1]=4 68 B9R0.46 C=CC(O)CNCCOC 2230a_100000209980_100000730141 [0,0,0,0,0,0|3,0,1]=4 69 B9R0.46 C=CC(O)CNCCSC 2230a_100020590264_100000730141 [0,0,0,0,0,0|3,0,1]=4 70 B9R0.46 C=CC(O)COCCCBr 34a_100011217188_100000730141 [0,0,0,0,0,0|3,0,1]=4 71 B9R0.46 C=CC(O)COCCCC 34a_100000210227_100000730141 [0,0,0,0,0,0|2,0,1]=3 72 B9R0.46 C=CC(O)COCCCC 7a_100000210227_100000730141 [0,0,0,0,0,0|2,0,1]=3 73 B9R0.46 C=CC(O)COCCCCl 34a_100000230001_100000730141 [0,0,0,0,0,0|3,0,1]=4 74 B9R0.46 C=CC(O)COCCCF 34a_100000759539_100000730141 [0,0,0,0,0,0|3,0,1]=4 75 B9R0.46 C=CC(O)COCCCN 34a_100000182051_100000730141 [0,0,0,0,0,0|3,0,1]=4 76 B9R0.46 C=CC(O)COCCOC 34a_100000210237_100000730141 [0,0,0,0,0,0|3,0,1]=4 77 B9R0.46 C=CC(O)COCCSC 34a_100000230434_100000730141 [0,0,0,0,0,0|3,0,1]=4 78 B9R0.46 C=CC(O)COCCSC 7a_100000230434_100000730141 [0,0,0,0,0,0|3,0,1]=4 79 B9R0.46 C=CC(O)CSCCCC 62a_100000210211_100000730141 [0,0,0,0,0,0|2,0,1]=3 80 B9R0.46 C=CC(O)CSCCCC 62a_100000730141_100000210210 [0,0,0,0,0,0|2,0,1]=3 81 B9R0.46 C=CC(O)CSCCCF 62a_100000730141_100011934791 [0,0,0,0,0,0|3,0,1]=4 82 B9R0.46 C=CC(O)CSCCCF 62a_100011934791_100000730141 [0,0,0,0,0,0|3,0,1]=4 83 B9R0.46 C=CC(O)CSCCCO 62a_100000730141_100011215043 [0,0,0,0,0,0|3,0,1]=4 84 B9R0.46 C=CC(O)CSCCCO 62a_100011215043_100000730141 [0,0,0,0,0,0|3,0,1]=4 85 B9R0.46 C=CC(O)CSCCOC 62a_100000233755_100000730141 [0,0,0,0,0,0|3,0,1]=4 86 B9R0.46 C=CC(O)CSCCOC 62a_100000730141_100000233755 [0,0,0,0,0,0|3,0,1]=4 87 B9R0.46 C=CC(O)CSCCSC 62a_100000212216_100000730141 [0,0,0,0,0,0|3,0,1]=4 88 B9R0.46 C=CC(O)CSCCSC 62a_100000730141_100000751147 [0,0,0,0,0,0|3,0,1]=4 89 B9R0.46 C=CC(O)CSCOCC 62a_100000730141_100000739092 [0,0,0,0,0,0|3,0,1]=4 90 B9R0.46 C=CC(O)CSCOCC 62a_100000739092_100000730141 [0,0,0,0,0,0|3,0,1]=4 91 B9R0.46 C=CCCCCC(=O)CO 1458a_100000210174_100011215482 [0,0,0,0,0,0|0,0,4]=4 92 B9R0.46 C=CCCCNC(C)CO 2230a_100000700776_100012180447 [0,0,0,0,0,0|2,0,2]=4 93 B9R0.46 C=CCCCNC(C)CO 34a_100000700776_100012180447 [0,0,0,0,0,0|2,0,2]=4 94 B9R0.46 C=CCCCN[C@H](C)CO 2230a_100000737577_100011713584 [0,0,0,0,0,0|2,0,2]=4 95 B9R0.46 C=CCCCOC(C)CO 34a_100000758997_100012180447 [0,0,0,0,0,0|2,0,2]=4 96 B9R0.46 C=CCCCOC(C)CO 7a_100000758997_100012180447 [0,0,0,0,0,0|2,0,2]=4 97 B9R0.46 C=CCCCSC(C)CO 62a_100012180447_100000757094 [0,0,0,0,0,0|2,0,2]=4 98 B9R0.46 C=CCCCS[C@H](C)CO 62a_100011713584_100016084084 [0,0,0,0,0,0|2,0,2]=4 99 B9R0.46 C=CCCCS[C@H](C)CO 62a_100016084084_100000757094 [0,0,0,0,0,0|2,0,2]=4 100 B9R0.46 C=CCCNCC(C)CO 34a_100000744482_100000754431 [0,0,0,0,0,0|2,0,2]=4 101 B9R0.46 C=CCCNCC(O)CC 2230a_100011218483_100000754431 [0,0,0,0,0,0|2,0,2]=4 102 B9R0.46 C=CCCNCC(O)CC 2230a_100015191253_100011218378 [0,0,0,0,0,0|2,0,2]=4 103 B9R0.46 C=CCCNCC(O)CO 2230a_100015191253_100011219619 [0,0,0,0,0,0|1,0,2]=3 104 B9R0.46 C=CCCNC[C@@H](C)CO 2230a_100015191253_100000059175 [0,0,0,0,0,0|2,0,2]=4 105 B9R0.46 C=CCCNC[C@@H](F)CO 34a_100015665980_100000754431 [0,0,0,0,0,0|2,0,2]=4 106 B9R0.46 C=CCCNC[C@@H](O)CF 2230a_100015191253_100015614560 [0,0,0,0,0,0|2,0,2]=4 107 B9R0.46 C=CCCNC[C@@H](O)CO 2230a_100015191253_100009815848 [0,0,0,0,0,0|1,0,2]=3 108 B9R0.46 C=CCCNC[C@H](O)CO 2230a_100020644852_100000754431 [0,0,0,0,0,0|1,0,2]=3 109 B9R0.46 C=CCCOCC(O)CC 34a_100011205117_100011218378 [0,0,0,0,0,0|2,0,2]=4 110 B9R0.46 C=CCCOCC(O)CO 34a_100011205117_100011219619 [0,0,0,0,0,0|1,0,2]=3 111 B9R0.46 C=CCCOC[C@@H](C)CO 34a_100011205117_100000059175 [0,0,0,0,0,0|2,0,2]=4 112 B9R0.46 C=CCCOC[C@@H](O)CF 34a_100011205117_100015614560 [0,0,0,0,0,0|2,0,2]=4 113 B9R0.46 C=CCCOC[C@@H](O)CO 34a_100011205117_100009815848 [0,0,0,0,0,0|1,0,2]=3 114 B9R0.46 C=CCCSCC(O)CC 62a_100000754431_100011218378 [0,0,0,0,0,0|2,0,2]=4 115 B9R0.46 C=CCCSCC(O)CC 62a_100011218378_100000754431 [0,0,0,0,0,0|2,0,2]=4 116 B9R0.46 C=CCCSCC(O)CO 62a_100000754431_100011219619 [0,0,0,0,0,0|1,0,2]=3 117 B9R0.46 C=CCCSCC(O)CO 62a_100011219619_100000754431 [0,0,0,0,0,0|1,0,2]=3 118 B9R0.46 C=CCCSC[C@@H](C)CO 62a_100000059175_100000754431 [0,0,0,0,0,0|2,0,2]=4 119 B9R0.46 C=CCCSC[C@@H](C)CO 62a_100000754431_100000059175 [0,0,0,0,0,0|2,0,2]=4 120 B9R0.46 C=CCCSC[C@@H](O)CF 62a_100000754431_100015614560 [0,0,0,0,0,0|2,0,2]=4 121 B9R0.46 C=CCCSC[C@@H](O)CF 62a_100015614560_100000754431 [0,0,0,0,0,0|2,0,2]=4 122 B9R0.46 C=CCCSC[C@@H](O)CO 62a_100000754431_100009815848 [0,0,0,0,0,0|1,0,2]=3 123 B9R0.46 C=CCCSC[C@@H](O)CO 62a_100009815848_100000754431 [0,0,0,0,0,0|1,0,2]=3 124 B9R0.46 C=CCNCCC(C)CO 2230a_106354213184_100000210623 [0,0,0,0,0,0|2,0,2]=4 125 B9R0.46 C=CCNCCC(C)CO 34a_106354213184_100015514636 [0,0,0,0,0,0|2,0,2]=4 126 B9R0.46 C=C[C@H](N)COCCCC 34a_100016989147_100000210210 [0,0,0,0,0,0|3,0,1]=4 127 B9R0.46 CC#CCCOC(C)CO 34a_100000750427_100012180447 [0,0,0,0,0,0|2,0,2]=4 128 B9R0.46 CC#CCNCC(C)CO 34a_100000744482_100000748600 [0,0,0,0,0,0|2,0,2]=4 129 B9R0.46 CC#CCNCC(O)CC 2230a_100000685387_100011218378 [0,0,0,0,0,0|2,0,2]=4 130 B9R0.46 CC#CCNCC(O)CC 2230a_100011218483_100000748600 [0,0,0,0,0,0|2,0,2]=4 131 B9R0.46 CC#CCNCC(O)CC 34a_100000685387_100011218378 [0,0,0,0,0,0|2,0,2]=4 132 B9R0.46 CC#CCNCC(O)CO 2230a_100000685387_100011219619 [0,0,0,0,0,0|1,0,2]=3 133 B9R0.46 CC#CCNCC(O)CO 34a_100000685387_100011219619 [0,0,0,0,0,0|1,0,2]=3 134 B9R0.46 CC#CCNC[C@@H](C)CO 2230a_100000685387_100000059175 [0,0,0,0,0,0|2,0,2]=4 135 B9R0.46 CC#CCNC[C@@H](C)CO 34a_100000685387_100000059175 [0,0,0,0,0,0|2,0,2]=4 136 B9R0.46 CC#CCNC[C@@H](F)CO 34a_100015665980_100000748600 [0,0,0,0,0,0|2,0,2]=4 137 B9R0.46 CC#CCNC[C@@H](O)CF 2230a_100000685387_100015614560 [0,0,0,0,0,0|2,0,2]=4 138 B9R0.46 CC#CCNC[C@@H](O)CF 34a_100000685387_100015614560 [0,0,0,0,0,0|2,0,2]=4 139 B9R0.46 CC#CCNC[C@@H](O)CO 2230a_100000685387_100009815848 [0,0,0,0,0,0|1,0,2]=3 140 B9R0.46 CC#CCNC[C@@H](O)CO 34a_100000685387_100009815848 [0,0,0,0,0,0|1,0,2]=3 141 B9R0.46 CC#CCNC[C@H](O)CO 2230a_100020644852_100000748600 [0,0,0,0,0,0|1,0,2]=3 142 B9R0.46 CC#CCOCC(O)CC 34a_100000761923_100011218378 [0,0,0,0,0,0|2,0,2]=4 143 B9R0.46 CC#CCOCC(O)CO 34a_100000761923_100011219619 [0,0,0,0,0,0|1,0,2]=3 144 B9R0.46 CC#CCOC[C@@H](C)CO 34a_100000761923_100000059175 [0,0,0,0,0,0|2,0,2]=4 145 B9R0.46 CC#CCOC[C@@H](O)CF 34a_100000761923_100015614560 [0,0,0,0,0,0|2,0,2]=4 146 B9R0.46 CC#CCOC[C@@H](O)CO 34a_100000761923_100009815848 [0,0,0,0,0,0|1,0,2]=3 147 B9R0.46 CC#CCSCC(O)CC 62a_100000748600_100011218378 [0,0,0,0,0,0|2,0,2]=4 148 B9R0.46 CC#CCSCC(O)CC 62a_100011218378_100000748600 [0,0,0,0,0,0|2,0,2]=4 149 B9R0.46 CC#CCSCC(O)CO 62a_100000748600_100011219619 [0,0,0,0,0,0|1,0,2]=3 150 B9R0.46 CC#CCSCC(O)CO 62a_100011219619_100000748600 [0,0,0,0,0,0|1,0,2]=3 151 B9R0.46 CC#CCSC[C@@H](C)CO 62a_100000059175_100000748600 [0,0,0,0,0,0|2,0,2]=4 152 B9R0.46 CC#CCSC[C@@H](C)CO 62a_100000748600_100000059175 [0,0,0,0,0,0|2,0,2]=4 153 B9R0.46 CC#CCSC[C@@H](O)CF 62a_100000748600_100015614560 [0,0,0,0,0,0|2,0,2]=4 154 B9R0.46 CC#CCSC[C@@H](O)CF 62a_100015614560_100000748600 [0,0,0,0,0,0|2,0,2]=4 155 B9R0.46 CC#CCSC[C@@H](O)CO 62a_100000748600_100009815848 [0,0,0,0,0,0|1,0,2]=3 156 B9R0.46 CC#CCSC[C@@H](O)CO 62a_100009815848_100000748600 [0,0,0,0,0,0|1,0,2]=3 157 B9R0.46 CC(CF)OCCCCF 34a_100016041109_100000729493 [0,0,0,0,0,0|4,0,0]=4 158 B9R0.46 CC(CF)OCCCCF 7a_100016041109_100000729493 [0,0,0,0,0,0|4,0,0]=4 159 B9R0.46 CC(CF)OCCCCO 34a_100016041109_100011216708 [0,0,0,0,0,0|4,0,0]=4 160 B9R0.46 CC(CF)OCCCCO 7a_100016041109_100000210776 [0,0,0,0,0,0|4,0,0]=4 161 B9R0.46 CC(CN)COCCCF 34a_100000744482_100011934791 [0,0,0,0,0,0|4,0,0]=4 162 B9R0.46 CC(CN)COCCCO 34a_100000744482_100000230001 [0,0,0,0,0,0|4,0,0]=4 163 B9R0.46 CC(CN)OCCCCF 34a_100000210904_100000729493 [0,0,0,0,0,0|4,0,0]=4 164 B9R0.46 CC(CN)OCCCCO 34a_100000210904_100011216708 [0,0,0,0,0,0|4,0,0]=4 165 B9R0.46 CC(CO)CCNCC#N 2230a_106354213184_100011215382 [0,0,0,0,0,0|3,0,1]=4 166 B9R0.46 CC(CO)CCNCC=O 2230a_106354213184_200015260668 [0,0,0,0,0,0|3,0,1]=4 167 B9R0.46 CC(CO)CCNCC=O 34a_106354213184_200009817547 [0,0,0,0,0,0|3,0,1]=4 168 B9R0.46 CC(CO)CCNCCF 2230a_106354213184_100011217306 [0,0,0,0,0,0|3,0,0]=3 169 B9R0.46 CC(CO)CCNCCF 34a_106354213184_100011217306 [0,0,0,0,0,0|3,0,0]=3 170 B9R0.46 CC(CO)CCNCCO 2230a_106354213184_100000211926 [0,0,0,0,0,0|3,0,0]=3 171 B9R0.46 CC(CO)CCNCCO 34a_106354213184_100000211926 [0,0,0,0,0,0|3,0,0]=3 172 B9R0.46 CC(CO)CNCCCF 34a_100000744482_100011934791 [0,0,0,0,0,0|3,0,0]=3 173 B9R0.46 CC(CO)CNCCCO 34a_100000744482_100000230001 [0,0,0,0,0,0|3,0,0]=3 174 B9R0.46 CC(CO)NCCCCO 2230a_100000750430_100012180447 [0,0,0,0,0,0|3,0,0]=3 175 B9R0.46 CC(CO)NCCCCO 34a_100000750430_100012180447 [0,0,0,0,0,0|3,0,0]=3 176 B9R0.46 CC(CO)OCCCCBr 34a_100011216708_100012180447 [0,0,0,0,0,0|3,0,0]=3 177 B9R0.46 CC(CO)OCCCCCl 34a_100000210776_100012180447 [0,0,0,0,0,0|3,0,0]=3 178 B9R0.46 CC(CO)OCCCCCl 7a_100000210776_100012180447 [0,0,0,0,0,0|3,0,0]=3 179 B9R0.46 CC(CO)OCCCCF 34a_100011995726_100012180447 [0,0,0,0,0,0|3,0,0]=3 180 B9R0.46 CC(CO)OCCCCF 7a_100011995726_100012180447 [0,0,0,0,0,0|3,0,0]=3 181 B9R0.46 CC(CO)OCCCCI 34a_200012148704_100012180447 [0,0,0,0,0,0|3,0,0]=3 182 B9R0.46 CC(CO)OCCCCN 34a_100000750430_100012180447 [0,0,0,0,0,0|3,0,0]=3 183 B9R0.46 CC(CO)SCCCC#N 62a_100012180447_100000687738 [0,0,0,0,0,0|3,0,1]=4 184 B9R0.46 CC(CO)SCCCC=O 62a_100012180447_200011292268 [0,0,0,0,0,0|3,0,1]=4 185 B9R0.46 CC(CO)SCCCCF 62a_100012180447_100000729493 [0,0,0,0,0,0|3,0,0]=3 186 B9R0.46 CC(CO)SCCCCO 62a_100012180447_100000210776 [0,0,0,0,0,0|3,0,0]=3 187 B9R0.46 CC/C=C\CCC(=O)CO 1458a_100000210174_100015370543 [0,0,0,0,0,0|0,0,4]=4 188 B9R0.46 CC/C=C\CN[C@H](C)CO 2230a_100000737577_100103147603 [0,0,0,0,0,0|2,0,2]=4 189 B9R0.46 CC/C=C\COC(C)CO 34a_100016268518_100012180447 [0,0,0,0,0,0|2,0,2]=4 190 B9R0.46 CC/C=C\CSC(C)CO 62a_100012180447_100103147603 [0,0,0,0,0,0|2,0,2]=4 191 B9R0.46 CC/C=C\CS[C@H](C)CO 62a_100016084084_100103147603 [0,0,0,0,0,0|2,0,2]=4 192 B9R0.46 CC/C=C\CS[C@H](C)CO 62a_100103147603_100016084084 [0,0,0,0,0,0|2,0,2]=4 193 B9R0.46 CC=CCNCC(C)CO 34a_100000744482_100000070051 [0,0,0,0,0,0|2,0,2]=4 194 B9R0.46 CC=CCNCC(O)CC 2230a_100011218483_100000070051 [0,0,0,0,0,0|2,0,2]=4 195 B9R0.46 CC=CCNC[C@@H](F)CO 34a_100015665980_100000070051 [0,0,0,0,0,0|2,0,2]=4 196 B9R0.46 CC=CCNC[C@H](O)CO 2230a_100020644852_100000070051 [0,0,0,0,0,0|1,0,2]=3 197 B9R0.46 CC=CCSCC(O)CC 62a_100000070051_100011218378 [0,0,0,0,0,0|2,0,2]=4 198 B9R0.46 CC=CCSCC(O)CC 62a_100011218378_100000070051 [0,0,0,0,0,0|2,0,2]=4 199 B9R0.46 CC=CCSCC(O)CO 62a_100000070051_100011219619 [0,0,0,0,0,0|1,0,2]=3 200 B9R0.46 CC=CCSCC(O)CO 62a_100011219619_100000070051 [0,0,0,0,0,0|1,0,2]=3 201 B9R0.46 CC=CCSC[C@@H](C)CO 62a_100000059175_100000070051 [0,0,0,0,0,0|2,0,2]=4 202 B9R0.46 CC=CCSC[C@@H](C)CO 62a_100000070051_100000059175 [0,0,0,0,0,0|2,0,2]=4 203 B9R0.46 CC=CCSC[C@@H](O)CF 62a_100000070051_100015614560 [0,0,0,0,0,0|2,0,2]=4 204 B9R0.46 CC=CCSC[C@@H](O)CF 62a_100015614560_100000070051 [0,0,0,0,0,0|2,0,2]=4 205 B9R0.46 CC=CCSC[C@@H](O)CO 62a_100000070051_100009815848 [0,0,0,0,0,0|1,0,2]=3 206 B9R0.46 CC=CCSC[C@@H](O)CO 62a_100009815848_100000070051 [0,0,0,0,0,0|1,0,2]=3 207 B9R0.46 CCC#CCN[C@H](C)CO 2230a_100000737577_100009813939 [0,0,0,0,0,0|2,0,2]=4 208 B9R0.46 CCC#CCOC(C)CO 34a_100000032950_100012180447 [0,0,0,0,0,0|2,0,2]=4 209 B9R0.46 CCC#CCSC(C)CO 62a_100012180447_100009813939 [0,0,0,0,0,0|2,0,2]=4 210 B9R0.46 CCC#CCS[C@H](C)CO 62a_100009813939_100016084084 [0,0,0,0,0,0|2,0,2]=4 211 B9R0.46 CCC#CCS[C@H](C)CO 62a_100016084084_100009813939 [0,0,0,0,0,0|2,0,2]=4 212 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [0,0,0,0,0,0|2,0,2]=4 213 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [0,0,0,0,0,0|2,0,2]=4 214 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [0,0,0,0,0,0|2,0,2]=4 215 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [0,0,0,0,0,0|2,0,2]=4 216 B9R0.46 CCC(C)CCCOCF 7a_100011216074_100015361967 [0,0,0,0,0,0|4,0,0]=4 217 B9R0.46 CCC(C)CCNCCF 2230a_100020591266_100011217306 [0,0,0,0,0,0|4,0,0]=4 218 B9R0.46 CCC(C)CCNCCO 2230a_100020591266_100000211926 [0,0,0,0,0,0|4,0,0]=4 219 B9R0.46 CCC(C)CCNCOC 2230a_100020591266_100000766300 [0,0,0,0,0,0|4,0,0]=4 220 B9R0.46 CCC(C)CCNCSC 2230a_100020591266_100011218213 [0,0,0,0,0,0|4,0,0]=4 221 B9R0.46 CCC(C)CCOCCF 7a_100011215188_100011217306 [0,0,0,0,0,0|4,0,0]=4 222 B9R0.46 CCC(C)CCOCCO 7a_100011215188_100000211926 [0,0,0,0,0,0|4,0,0]=4 223 B9R0.46 CCC(C)CNCCCF 2230a_100015189416_100000748023 [0,0,0,0,0,0|4,0,0]=4 224 B9R0.46 CCC(C)CNCCCF 2230a_100020588543_100011934791 [0,0,0,0,0,0|4,0,0]=4 225 B9R0.46 CCC(C)CNCCCF 270004a_100015189416_100000243153 [0,0,0,0,0,0|4,0,0]=4 226 B9R0.46 CCC(C)CNCCCF 34a_100015189416_100000748023 [0,0,0,0,0,0|4,0,0]=4 227 B9R0.46 CCC(C)CNCCCO 2230a_100020588543_100000230001 [0,0,0,0,0,0|4,0,0]=4 228 B9R0.46 CCC(C)CNCCCO 270004a_100000182051_100000243153 [0,0,0,0,0,0|4,0,0]=4 229 B9R0.46 CCC(C)CNCCOC 2230a_100000209980_100000748023 [0,0,0,0,0,0|4,0,0]=4 230 B9R0.46 CCC(C)CNCCOC 2230a_100020588543_100011201679 [0,0,0,0,0,0|4,0,0]=4 231 B9R0.46 CCC(C)CNCCOC 270004a_100000209980_100000243153 [0,0,0,0,0,0|4,0,0]=4 232 B9R0.46 CCC(C)CNCCSC 2230a_100020588543_100000751147 [0,0,0,0,0,0|4,0,0]=4 233 B9R0.46 CCC(C)CNCCSC 2230a_100020590264_100000748023 [0,0,0,0,0,0|4,0,0]=4 234 B9R0.46 CCC(C)CNCCSC 270004a_100020590264_100000243153 [0,0,0,0,0,0|4,0,0]=4 235 B9R0.46 CCC(C)COCCCBr 34a_100011217188_100000748023 [0,0,0,0,0,0|4,0,0]=4 236 B9R0.46 CCC(C)COCCCCl 34a_100000230001_100000748023 [0,0,0,0,0,0|4,0,0]=4 237 B9R0.46 CCC(C)COCCCF 34a_100000759539_100000748023 [0,0,0,0,0,0|4,0,0]=4 238 B9R0.46 CCC(C)COCCCN 34a_100000182051_100000748023 [0,0,0,0,0,0|4,0,0]=4 239 B9R0.46 CCC(C)COCCOC 34a_100000210237_100000748023 [0,0,0,0,0,0|4,0,0]=4 240 B9R0.46 CCC(C)COCCSC 34a_100000230434_100000748023 [0,0,0,0,0,0|4,0,0]=4 241 B9R0.46 CCC(C)COCCSC 7a_100000230434_100000748023 [0,0,0,0,0,0|4,0,0]=4 242 B9R0.46 CCC(C)CSCCCF 62a_100000748023_100011934791 [0,0,0,0,0,0|4,0,0]=4 243 B9R0.46 CCC(C)CSCCCF 62a_100011934791_100000748023 [0,0,0,0,0,0|4,0,0]=4 244 B9R0.46 CCC(C)CSCCCO 62a_100000748023_100011215043 [0,0,0,0,0,0|4,0,0]=4 245 B9R0.46 CCC(C)CSCCCO 62a_100011215043_100000748023 [0,0,0,0,0,0|4,0,0]=4 246 B9R0.46 CCC(C)CSCCOC 62a_100000233755_100000748023 [0,0,0,0,0,0|4,0,0]=4 247 B9R0.46 CCC(C)CSCCOC 62a_100000748023_100000233755 [0,0,0,0,0,0|4,0,0]=4 248 B9R0.46 CCC(C)CSCCSC 62a_100000212216_100000748023 [0,0,0,0,0,0|4,0,0]=4 249 B9R0.46 CCC(C)CSCCSC 62a_100000748023_100000751147 [0,0,0,0,0,0|4,0,0]=4 250 B9R0.46 CCC(C)NCCCCF 2230a_100000209981_100000729493 [0,0,0,0,0,0|4,0,0]=4 251 B9R0.46 CCC(C)NCCCCO 2230a_100000209981_100000210776 [0,0,0,0,0,0|4,0,0]=4 252 B9R0.46 CCC(C)NCCCCO 2230a_100000750430_100000758301 [0,0,0,0,0,0|4,0,0]=4 253 B9R0.46 CCC(C)NCCCCO 34a_100000750430_100011215416 [0,0,0,0,0,0|4,0,0]=4 254 B9R0.46 CCC(C)NCCCOC 2230a_100000209981_100000740836 [0,0,0,0,0,0|4,0,0]=4 255 B9R0.46 CCC(C)NCCCOC 34a_100150723488_100011215416 [0,0,0,0,0,0|4,0,0]=4 256 B9R0.46 CCC(C)NCCCSC 2230a_100000749238_100000758301 [0,0,0,0,0,0|4,0,0]=4 257 B9R0.46 CCC(C)OCCCCBr 34a_100011216708_100011215416 [0,0,0,0,0,0|4,0,0]=4 258 B9R0.46 CCC(C)OCCCCCl 34a_100000210776_100011215416 [0,0,0,0,0,0|4,0,0]=4 259 B9R0.46 CCC(C)OCCCCCl 7a_100000210776_100000758301 [0,0,0,0,0,0|4,0,0]=4 260 B9R0.46 CCC(C)OCCCCF 34a_100011995726_100011215416 [0,0,0,0,0,0|4,0,0]=4 261 B9R0.46 CCC(C)OCCCCF 7a_100000210228_100000729493 [0,0,0,0,0,0|4,0,0]=4 262 B9R0.46 CCC(C)OCCCCF 7a_100011995726_100000758301 [0,0,0,0,0,0|4,0,0]=4 263 B9R0.46 CCC(C)OCCCCI 34a_200012148704_100011215416 [0,0,0,0,0,0|4,0,0]=4 264 B9R0.46 CCC(C)OCCCCN 34a_100000750430_100011215416 [0,0,0,0,0,0|4,0,0]=4 265 B9R0.46 CCC(C)OCCCCO 7a_100000210228_100000210776 [0,0,0,0,0,0|4,0,0]=4 266 B9R0.46 CCC(C)OCCCNC 34a_100000213112_100011215416 [0,0,0,0,0,0|4,0,0]=4 267 B9R0.46 CCC(C)OCCCOC 34a_100000740835_100011215416 [0,0,0,0,0,0|4,0,0]=4 268 B9R0.46 CCC(C)OCCCOC 7a_100000210228_100000740836 [0,0,0,0,0,0|4,0,0]=4 269 B9R0.46 CCC(C)OCCCSC 34a_100000690336_100011215416 [0,0,0,0,0,0|4,0,0]=4 270 B9R0.46 CCC(C)OCCCSC 7a_100000690336_100000758301 [0,0,0,0,0,0|4,0,0]=4 271 B9R0.46 CCC(C)SCCCCF 62a_100000729493_100000758301 [0,0,0,0,0,0|4,0,0]=4 272 B9R0.46 CCC(C)SCCCCF 62a_100000758301_100000729493 [0,0,0,0,0,0|4,0,0]=4 273 B9R0.46 CCC(C)SCCCCO 62a_100000210776_100000758301 [0,0,0,0,0,0|4,0,0]=4 274 B9R0.46 CCC(C)SCCCCO 62a_100000758301_100000210776 [0,0,0,0,0,0|4,0,0]=4 275 B9R0.46 CCC(C)SCCCOC 62a_100000709357_100000758301 [0,0,0,0,0,0|4,0,0]=4 276 B9R0.46 CCC(C)SCCCOC 62a_100000758301_100000709357 [0,0,0,0,0,0|4,0,0]=4 277 B9R0.46 CCC(O)CNCCC#N 2230a_100011218483_100011215226 [0,0,0,0,0,0|3,0,1]=4 278 B9R0.46 CCC(O)CNCCCF 2230a_100011218483_100011934791 [0,0,0,0,0,0|3,0,0]=3 279 B9R0.46 CCC(O)CNCCCF 2230a_100015189416_100011218378 [0,0,0,0,0,0|3,0,0]=3 280 B9R0.46 CCC(O)CNCCCF 34a_100015189416_100011218378 [0,0,0,0,0,0|3,0,0]=3 281 B9R0.46 CCC(O)CNCCCO 2230a_100011218483_100000230001 [0,0,0,0,0,0|3,0,0]=3 282 B9R0.46 CCC(O)CNCCOC 2230a_100000209980_100011218378 [0,0,0,0,0,0|3,0,0]=3 283 B9R0.46 CCC(O)CNCCOC 2230a_100011218483_100011201679 [0,0,0,0,0,0|3,0,0]=3 284 B9R0.46 CCC(O)CNCCSC 2230a_100011218483_100000751147 [0,0,0,0,0,0|3,0,0]=3 285 B9R0.46 CCC(O)CNCCSC 2230a_100020590264_100011218378 [0,0,0,0,0,0|3,0,0]=3 286 B9R0.46 CCC(O)COCCCBr 34a_100011217188_100011218378 [0,0,0,0,0,0|3,0,0]=3 287 B9R0.46 CCC(O)COCCCCl 34a_100000230001_100011218378 [0,0,0,0,0,0|3,0,0]=3 288 B9R0.46 CCC(O)COCCCF 34a_100000759539_100011218378 [0,0,0,0,0,0|3,0,0]=3 289 B9R0.46 CCC(O)COCCCN 34a_100000182051_100011218378 [0,0,0,0,0,0|3,0,0]=3 290 B9R0.46 CCC(O)COCCOC 34a_100000210237_100011218378 [0,0,0,0,0,0|3,0,0]=3 291 B9R0.46 CCC(O)COCCON 34a_100000700252_100011218378 [0,0,0,0,0,0|4,0,0]=4 292 B9R0.46 CCC(O)COCCSC 34a_100000230434_100011218378 [0,0,0,0,0,0|3,0,0]=3 293 B9R0.46 CCC(O)COCCSC 7a_100000230434_100011218378 [0,0,0,0,0,0|3,0,0]=3 294 B9R0.46 CCC(O)CSCCC#N 62a_100011215226_100011218378 [0,0,0,0,0,0|3,0,1]=4 295 B9R0.46 CCC(O)CSCCC#N 62a_100011218378_100011215226 [0,0,0,0,0,0|3,0,1]=4 296 B9R0.46 CCC(O)CSCCCF 62a_100011218378_100011934791 [0,0,0,0,0,0|3,0,0]=3 297 B9R0.46 CCC(O)CSCCCF 62a_100011934791_100011218378 [0,0,0,0,0,0|3,0,0]=3 298 B9R0.46 CCC(O)CSCCCO 62a_100011215043_100011218378 [0,0,0,0,0,0|3,0,0]=3 299 B9R0.46 CCC(O)CSCCCO 62a_100011218378_100011215043 [0,0,0,0,0,0|3,0,0]=3 300 B9R0.46 CCC(O)CSCCOC 62a_100000233755_100011218378 [0,0,0,0,0,0|3,0,0]=3 301 B9R0.46 CCC(O)CSCCOC 62a_100011218378_100000233755 [0,0,0,0,0,0|3,0,0]=3 302 B9R0.46 CCC(O)CSCCSC 62a_100000212216_100011218378 [0,0,0,0,0,0|3,0,0]=3 303 B9R0.46 CCC(O)CSCCSC 62a_100011218378_100000751147 [0,0,0,0,0,0|3,0,0]=3 304 B9R0.46 CCC=NNCC(O)CC 4a_100015206393_100000210100 [0,0,0,0,0,0|3,0,1]=4 305 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [0,0,0,0,0,0|1,0,2]=3 306 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [0,0,0,0,0,0|1,0,2]=3 307 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [0,0,0,0,0,0|1,0,2]=3 308 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [0,0,0,0,0,0|0,0,2]=2 309 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [0,0,0,0,0,0|2,0,2]=4 310 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [0,0,0,0,0,0|2,0,2]=4 311 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [0,0,0,0,0,0|2,0,2]=4 312 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [0,0,0,0,0,0|2,0,2]=4 313 B9R0.46 CCCCCCC(C)NC 2230a_100000210919_200000210301 [0,0,0,0,0,0|3,0,0]=3 314 B9R0.46 CCCCCCC(C)NC 2230a_106832991635_100011215978 [0,0,0,0,0,0|3,0,0]=3 315 B9R0.46 CCCCCCC(C)NC 270004a_106832991635_100000210826 [0,0,0,0,0,0|3,0,0]=3 316 B9R0.46 CCCCCCC(C)NC 34a_100000210919_200000210301 [0,0,0,0,0,0|3,0,0]=3 317 B9R0.46 CCCCCCC(C)NC 34a_100102657272_100011215978 [0,0,0,0,0,0|3,0,0]=3 318 B9R0.46 CCCCCCC(C)NC 7a_106832991635_100011215978 [0,0,0,0,0,0|3,0,0]=3 319 B9R0.46 CCCCCCC(C)N[13CH3] 2230a_100000210919_200025704644 [0,0,0,0,0,0|3,0,0]=3 320 B9R0.46 CCCCCCC(C)N[13CH3] 34a_100000210919_200025704644 [0,0,0,0,0,0|3,0,0]=3 321 B9R0.46 CCCCCCC(C)OC 34a_100000210265_200000210301 [0,0,0,0,0,0|3,0,0]=3 322 B9R0.46 CCCCCCC(C)OC 34a_100138415774_100011215978 [0,0,0,0,0,0|3,0,0]=3 323 B9R0.46 CCCCCCC(C)OC 7a_100000210265_200000210301 [0,0,0,0,0,0|3,0,0]=3 324 B9R0.46 CCCCCCC(C)O[13CH3] 34a_100000210265_200025704644 [0,0,0,0,0,0|3,0,0]=3 325 B9R0.46 CCCCCCC(C)O[13CH3] 7a_100000210265_200025704644 [0,0,0,0,0,0|3,0,0]=3 326 B9R0.46 CCCCCCC(C)SC 62a_100011215978_200000210301 [0,0,0,0,0,0|3,0,0]=3 327 B9R0.46 CCCCCCC(C)SC 62a_200000210301_100011215978 [0,0,0,0,0,0|3,0,0]=3 328 B9R0.46 CCCCCCC(C)S[13CH3] 62a_100011215978_200025704644 [0,0,0,0,0,0|3,0,0]=3 329 B9R0.46 CCCCCCC(C)S[13CH3] 62a_200025704644_100011215978 [0,0,0,0,0,0|3,0,0]=3 330 B9R0.46 CCCCCCN(C)CC 2230a_100000225621_100000210314 [0,0,0,0,0,0|3,0,0]=3 331 B9R0.46 CCCCCCN(C)CC 2230a_106256046315_100000210202 [0,0,0,0,0,0|3,0,0]=3 332 B9R0.46 CCCCCCN(C)CC 269982a_100000225621_100000210757 [0,0,0,0,0,0|3,0,0]=3 333 B9R0.46 CCCCCCN(C)CC 269982a_106256046315_100000204670 [0,0,0,0,0,0|3,0,0]=3 334 B9R0.46 CCCCCCN(C)CF 269982a_106256046315_100015361967 [0,0,0,0,0,0|3,0,0]=3 335 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [0,0,0,0,0,0|2,0,2]=4 336 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [0,0,0,0,0,0|2,0,2]=4 337 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [0,0,0,0,0,0|2,0,2]=4 338 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [0,0,0,0,0,0|2,0,2]=4 339 B9R0.46 CCCCCNC(=O)CO 240690a_100000209983_100000210174 [0,0,0,0,0,0|1,0,2]=3 340 B9R0.46 CCCCCNC(=O)CO 527a_100000209983_100000210174 [0,0,0,0,0,0|1,0,2]=3 341 B9R0.46 CCCCCNC(C)C#N 2230a_100000209983_100000184139 [0,0,0,0,0,0|3,0,1]=4 342 B9R0.46 CCCCCNC(C)C#N 2230a_100000737613_100000210326 [0,0,0,0,0,0|3,0,1]=4 343 B9R0.46 CCCCCNC(C)CC 2230a_100000209981_100000210326 [0,0,0,0,0,0|3,0,0]=3 344 B9R0.46 CCCCCNC(C)CC 2230a_100000209983_100000758301 [0,0,0,0,0,0|3,0,0]=3 345 B9R0.46 CCCCCNC(C)CO 2230a_100000209983_100012180447 [0,0,0,0,0,0|2,0,0]=2 346 B9R0.46 CCCCCN[C@H](C)CO 2230a_100000737577_100000210326 [0,0,0,0,0,0|2,0,0]=2 347 B9R0.46 CCCCCOC(C)C#N 34a_100011218135_100000718602 [0,0,0,0,0,0|3,0,1]=4 348 B9R0.46 CCCCCOC(C)C#N 7a_100000210253_100000703298 [0,0,0,0,0,0|3,0,1]=4 349 B9R0.46 CCCCCOC(C)CC 34a_100000210253_100011215416 [0,0,0,0,0,0|3,0,0]=3 350 B9R0.46 CCCCCOC(C)CC 7a_100000210228_100000210326 [0,0,0,0,0,0|3,0,0]=3 351 B9R0.46 CCCCCOC(C)CC 7a_100000210253_100000758301 [0,0,0,0,0,0|3,0,0]=3 352 B9R0.46 CCCCCOC(C)CF 34a_100016041109_100000718602 [0,0,0,0,0,0|3,0,0]=3 353 B9R0.46 CCCCCOC(C)CF 7a_100016041109_100000210326 [0,0,0,0,0,0|3,0,0]=3 354 B9R0.46 CCCCCOC(C)CN 34a_100000210904_100000718602 [0,0,0,0,0,0|3,0,0]=3 355 B9R0.46 CCCCCOC(C)CO 34a_100000210253_100012180447 [0,0,0,0,0,0|2,0,0]=2 356 B9R0.46 CCCCCOC(C)CO 7a_100000210253_100012180447 [0,0,0,0,0,0|2,0,0]=2 357 B9R0.46 CCCCCSC(C)C#N 62a_100000210326_100000703298 [0,0,0,0,0,0|3,0,1]=4 358 B9R0.46 CCCCCSC(C)C#N 62a_100000703298_100000210326 [0,0,0,0,0,0|3,0,1]=4 359 B9R0.46 CCCCCSC(C)CC 62a_100000210326_100000758301 [0,0,0,0,0,0|3,0,0]=3 360 B9R0.46 CCCCCSC(C)CC 62a_100000758301_100000210326 [0,0,0,0,0,0|3,0,0]=3 361 B9R0.46 CCCCCSC(C)CO 62a_100012180447_100000210326 [0,0,0,0,0,0|2,0,0]=2 362 B9R0.46 CCCCCSC(C)OC 62a_100000210326_100009879195 [0,0,0,0,0,0|4,0,0]=4 363 B9R0.46 CCCCCSC(C)OC 62a_100009879195_100000210326 [0,0,0,0,0,0|4,0,0]=4 364 B9R0.46 CCCCCSC(F)C#N 62a_100000210326_200000117898 [0,0,0,0,0,0|3,0,1]=4 365 B9R0.46 CCCCCSC(F)C#N 62a_200000117898_100000210326 [0,0,0,0,0,0|3,0,1]=4 366 B9R0.46 CCCCCS[C@H](C)CO 62a_100000210326_100016084084 [0,0,0,0,0,0|2,0,0]=2 367 B9R0.46 CCCCCS[C@H](C)CO 62a_100016084084_100000210326 [0,0,0,0,0,0|2,0,0]=2 368 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [0,0,0,0,0,0|2,0,2]=4 369 B9R0.46 CCCCNCC(C)CC 2230a_100000102301_100000748023 [0,0,0,0,0,0|3,0,0]=3 370 B9R0.46 CCCCNCC(C)CC 2230a_100020588543_100000210211 [0,0,0,0,0,0|3,0,0]=3 371 B9R0.46 CCCCNCC(C)CC 270004a_100000102301_100000243153 [0,0,0,0,0,0|3,0,0]=3 372 B9R0.46 CCCCNCC(C)CC 7a_106832991798_100000748023 [0,0,0,0,0,0|3,0,0]=3 373 B9R0.46 CCCCNCC(C)CO 34a_100000744482_100000210210 [0,0,0,0,0,0|2,0,0]=2 374 B9R0.46 CCCCNCC(O)CC 2230a_100000102301_100011218378 [0,0,0,0,0,0|2,0,0]=2 375 B9R0.46 CCCCNCC(O)CC 2230a_100011218483_100000210211 [0,0,0,0,0,0|2,0,0]=2 376 B9R0.46 CCCCNCC(O)CC 7a_106832991798_100011218378 [0,0,0,0,0,0|2,0,0]=2 377 B9R0.46 CCCCNCC(O)CO 2230a_100000102301_100011219619 [0,0,0,0,0,0|1,0,0]=1 378 B9R0.46 CCCCNCC(O)CO 7a_106832991798_100011219619 [0,0,0,0,0,0|1,0,0]=1 379 B9R0.46 CCCCNC[C@@H](C)CC 2230a_100000102301_100009816398 [0,0,0,0,0,0|3,0,0]=3 380 B9R0.46 CCCCNC[C@@H](C)CC 7a_106832991798_100009816398 [0,0,0,0,0,0|3,0,0]=3 381 B9R0.46 CCCCNC[C@@H](C)CO 2230a_100000102301_100000059175 [0,0,0,0,0,0|2,0,0]=2 382 B9R0.46 CCCCNC[C@@H](C)CO 7a_106832991798_100000059175 [0,0,0,0,0,0|2,0,0]=2 383 B9R0.46 CCCCNC[C@@H](C)OC 2230a_100020591295_100000210211 [0,0,0,0,0,0|4,0,0]=4 384 B9R0.46 CCCCNC[C@@H](F)CO 34a_100015665980_100000210210 [0,0,0,0,0,0|2,0,0]=2 385 B9R0.46 CCCCNC[C@@H](O)CF 2230a_100000102301_100015614560 [0,0,0,0,0,0|2,0,0]=2 386 B9R0.46 CCCCNC[C@@H](O)CF 7a_106832991798_100015614560 [0,0,0,0,0,0|2,0,0]=2 387 B9R0.46 CCCCNC[C@@H](O)CO 2230a_100000102301_100009815848 [0,0,0,0,0,0|1,0,0]=1 388 B9R0.46 CCCCNC[C@@H](O)CO 7a_106832991798_100009815848 [0,0,0,0,0,0|1,0,0]=1 389 B9R0.46 CCCCNC[C@H](O)CO 2230a_100020644852_100000210211 [0,0,0,0,0,0|1,0,0]=1 390 B9R0.46 CCCCNN=C(C)CO 4a_100025702795_100000211253 [0,0,0,0,0,0|3,0,1]=4 391 B9R0.46 CCCCNNC(=O)CO 22a_100025702795_100000210174 [0,0,0,0,0,0|2,0,2]=4 392 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [0,0,0,0,0,0|2,0,2]=4 393 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [0,0,0,0,0,0|2,0,2]=4 394 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [0,0,0,0,0,0|2,0,2]=4 395 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [0,0,0,0,0,0|2,0,2]=4 396 B9R0.46 CCCCOCC(=O)CF 1458a_100000757543_100015361967 [0,0,0,0,0,0|2,0,2]=4 397 B9R0.46 CCCCOCC(=O)CO 1458a_100000210174_100011995733 [0,0,0,0,0,0|1,0,2]=3 398 B9R0.46 CCCCOCC(C)CC 34a_100000210227_100000748023 [0,0,0,0,0,0|3,0,0]=3 399 B9R0.46 CCCCOCC(C)CC 7a_100000210227_100000748023 [0,0,0,0,0,0|3,0,0]=3 400 B9R0.46 CCCCOCC(C)CN 34a_100000744482_100000210210 [0,0,0,0,0,0|3,0,0]=3 401 B9R0.46 CCCCOCC(C)OC 34a_100000690652_100000210210 [0,0,0,0,0,0|4,0,0]=4 402 B9R0.46 CCCCOCC(C)OC 34a_100011217071_200000210301 [0,0,0,0,0,0|4,0,0]=4 403 B9R0.46 CCCCOCC(C)OC 7a_100011217071_200000210301 [0,0,0,0,0,0|4,0,0]=4 404 B9R0.46 CCCCOCC(C)O[13CH3] 34a_100011217071_200025704644 [0,0,0,0,0,0|4,0,0]=4 405 B9R0.46 CCCCOCC(C)O[13CH3] 7a_100011217071_200025704644 [0,0,0,0,0,0|4,0,0]=4 406 B9R0.46 CCCCOCC(Cl)CCl 34a_100000033668_100000210210 [0,0,0,0,0,0|3,0,0]=3 407 B9R0.46 CCCCOCC(O)CC 34a_100000210227_100011218378 [0,0,0,0,0,0|2,0,0]=2 408 B9R0.46 CCCCOCC(O)CC 7a_100000210227_100011218378 [0,0,0,0,0,0|2,0,0]=2 409 B9R0.46 CCCCOCC(O)CO 34a_100000210227_100011219619 [0,0,0,0,0,0|1,0,0]=1 410 B9R0.46 CCCCOCC(O)CO 7a_100000210227_100011219619 [0,0,0,0,0,0|1,0,0]=1 411 B9R0.46 CCCCOCN(C)CC 2230a_100000225621_100011995733 [0,0,0,0,0,0|4,0,0]=4 412 B9R0.46 CCCCOCN(C)CC 269982a_100000225621_100011995733 [0,0,0,0,0,0|4,0,0]=4 413 B9R0.46 CCCCOC[C@@H](C)CC 34a_100000210227_100009816398 [0,0,0,0,0,0|3,0,0]=3 414 B9R0.46 CCCCOC[C@@H](C)CC 7a_100000210227_100009816398 [0,0,0,0,0,0|3,0,0]=3 415 B9R0.46 CCCCOC[C@@H](C)CC 7a_100009816381_100000210211 [0,0,0,0,0,0|3,0,0]=3 416 B9R0.46 CCCCOC[C@@H](C)CO 34a_100000210227_100000059175 [0,0,0,0,0,0|2,0,0]=2 417 B9R0.46 CCCCOC[C@@H](C)CO 7a_100000210227_100000059175 [0,0,0,0,0,0|2,0,0]=2 418 B9R0.46 CCCCOC[C@@H](O)CF 34a_100000210227_100015614560 [0,0,0,0,0,0|2,0,0]=2 419 B9R0.46 CCCCOC[C@@H](O)CF 7a_100000210227_100015614560 [0,0,0,0,0,0|2,0,0]=2 420 B9R0.46 CCCCOC[C@@H](O)CO 34a_100000210227_100009815848 [0,0,0,0,0,0|1,0,0]=1 421 B9R0.46 CCCCOC[C@@H](O)CO 7a_100000210227_100009815848 [0,0,0,0,0,0|1,0,0]=1 422 B9R0.46 CCCCOC[C@H](F)CN 34a_100015665980_100000210210 [0,0,0,0,0,0|3,0,0]=3 423 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [0,0,0,0,0,0|2,0,2]=4 424 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [0,0,0,0,0,0|2,0,2]=4 425 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [0,0,0,0,0,0|2,0,2]=4 426 B9R0.46 CCCCSCC(=O)CF 1458a_100000191162_100015361967 [0,0,0,0,0,0|2,0,2]=4 427 B9R0.46 CCCCSCC(C)CC 62a_100000210211_100000748023 [0,0,0,0,0,0|3,0,0]=3 428 B9R0.46 CCCCSCC(C)CC 62a_100000748023_100000210210 [0,0,0,0,0,0|3,0,0]=3 429 B9R0.46 CCCCSCC(O)CC 62a_100000210211_100011218378 [0,0,0,0,0,0|2,0,0]=2 430 B9R0.46 CCCCSCC(O)CC 62a_100011218378_100000210210 [0,0,0,0,0,0|2,0,0]=2 431 B9R0.46 CCCCSCC(O)CO 62a_100000210211_100011219619 [0,0,0,0,0,0|1,0,0]=1 432 B9R0.46 CCCCSCC(O)CO 62a_100011219619_100000210210 [0,0,0,0,0,0|1,0,0]=1 433 B9R0.46 CCCCSC[C@@H](C)CC 62a_100000210211_100009816398 [0,0,0,0,0,0|3,0,0]=3 434 B9R0.46 CCCCSC[C@@H](C)CC 62a_100009816398_100000210210 [0,0,0,0,0,0|3,0,0]=3 435 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000059175_100000210210 [0,0,0,0,0,0|2,0,0]=2 436 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000210211_100000059175 [0,0,0,0,0,0|2,0,0]=2 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[0,0,0,0,0,0|2,0,2]=4 462 B9R0.46 CCOCCCC(=O)CO 1458a_100000210174_100012232248 [0,0,0,0,0,0|1,0,2]=3 463 B9R0.46 CCOCCCC(C)CC 7a_100011216074_100000210202 [0,0,0,0,0,0|3,0,0]=3 464 B9R0.46 CCOCCCN(C)CC 2230a_100000225621_100012232248 [0,0,0,0,0,0|4,0,0]=4 465 B9R0.46 CCOCCCN(C)CC 269982a_100000225621_100012232248 [0,0,0,0,0,0|4,0,0]=4 466 B9R0.46 CCOCCC[C@@H](C)CN 34a_100160569302_100000210202 [0,0,0,0,0,0|3,0,0]=3 467 B9R0.46 CCOCCNC(=O)CO 240690a_100011200944_100000210174 [0,0,0,0,0,0|2,0,2]=4 468 B9R0.46 CCOCCNC(=O)CO 527a_100011200944_100000210174 [0,0,0,0,0,0|2,0,2]=4 469 B9R0.46 CCOCCNC(C)CC 2230a_100000209981_100011215890 [0,0,0,0,0,0|4,0,0]=4 470 B9R0.46 CCOCCNC(C)CC 2230a_102516460346_100000758301 [0,0,0,0,0,0|4,0,0]=4 471 B9R0.46 CCOCCNC(C)CC 34a_102516460346_100011215416 [0,0,0,0,0,0|4,0,0]=4 472 B9R0.46 CCOCCNC(C)CO 2230a_102516460346_100012180447 [0,0,0,0,0,0|3,0,0]=3 473 B9R0.46 CCOCCNC(C)CO 34a_102516460346_100012180447 [0,0,0,0,0,0|3,0,0]=3 474 B9R0.46 CCOCCN[C@H](C)CO 2230a_100000737577_100011215890 [0,0,0,0,0,0|3,0,0]=3 475 B9R0.46 CCOCCOC(C)CC 34a_100000210136_100011215416 [0,0,0,0,0,0|4,0,0]=4 476 B9R0.46 CCOCCOC(C)CC 7a_100000210136_100000758301 [0,0,0,0,0,0|4,0,0]=4 477 B9R0.46 CCOCCOC(C)CC 7a_100000210228_100011215890 [0,0,0,0,0,0|4,0,0]=4 478 B9R0.46 CCOCCOC(C)CF 34a_100016041109_100000210147 [0,0,0,0,0,0|4,0,0]=4 479 B9R0.46 CCOCCOC(C)CF 7a_100016041109_100011215890 [0,0,0,0,0,0|4,0,0]=4 480 B9R0.46 CCOCCOC(C)CN 34a_100000210904_100000210147 [0,0,0,0,0,0|4,0,0]=4 481 B9R0.46 CCOCCOC(C)CO 34a_100000210136_100012180447 [0,0,0,0,0,0|3,0,0]=3 482 B9R0.46 CCOCCOC(C)CO 7a_100000210136_100012180447 [0,0,0,0,0,0|3,0,0]=3 483 B9R0.46 CCOCCSC(C)CC 62a_100000210147_100000758301 [0,0,0,0,0,0|4,0,0]=4 484 B9R0.46 CCOCCSC(C)CC 62a_100000758301_100011215890 [0,0,0,0,0,0|4,0,0]=4 485 B9R0.46 CCOCCSC(C)CO 62a_100012180447_100011215890 [0,0,0,0,0,0|3,0,0]=3 486 B9R0.46 CCOCCS[C@H](C)CO 62a_100000210147_100016084084 [0,0,0,0,0,0|3,0,0]=3 487 B9R0.46 CCOCCS[C@H](C)CO 62a_100016084084_100011215890 [0,0,0,0,0,0|3,0,0]=3 488 B9R0.46 CCOCSCC(C)CC 62a_100000739092_100000748023 [0,0,0,0,0,0|4,0,0]=4 489 B9R0.46 CCOCSCC(C)CC 62a_100000748023_100000739092 [0,0,0,0,0,0|4,0,0]=4 490 B9R0.46 CCOCSCC(O)CC 62a_100000739092_100011218378 [0,0,0,0,0,0|3,0,0]=3 491 B9R0.46 CCOCSCC(O)CC 62a_100011218378_100000739092 [0,0,0,0,0,0|3,0,0]=3 492 B9R0.46 CCOCSCC(O)CO 62a_100000739092_100011219619 [0,0,0,0,0,0|2,0,0]=2 493 B9R0.46 CCOCSCC(O)CO 62a_100011219619_100000739092 [0,0,0,0,0,0|2,0,0]=2 494 B9R0.46 CCOCSC[C@@H](C)CC 62a_100000739092_100009816398 [0,0,0,0,0,0|4,0,0]=4 495 B9R0.46 CCOCSC[C@@H](C)CC 62a_100009816398_100000739092 [0,0,0,0,0,0|4,0,0]=4 496 B9R0.46 CCOCSC[C@@H](C)CO 62a_100000059175_100000739092 [0,0,0,0,0,0|3,0,0]=3 497 B9R0.46 CCOCSC[C@@H](C)CO 62a_100000739092_100000059175 [0,0,0,0,0,0|3,0,0]=3 498 B9R0.46 CCOCSC[C@@H](O)CF 62a_100000739092_100015614560 [0,0,0,0,0,0|3,0,0]=3 499 B9R0.46 CCOCSC[C@@H](O)CF 62a_100015614560_100000739092 [0,0,0,0,0,0|3,0,0]=3 500 B9R0.46 CCOCSC[C@@H](O)CO 62a_100000739092_100009815848 [0,0,0,0,0,0|2,0,0]=2 501 B9R0.46 CCOCSC[C@@H](O)CO 62a_100009815848_100000739092 [0,0,0,0,0,0|2,0,0]=2 502 B9R0.46 CCSCCCN(C)CC 62a_100000210202_100015186262 [0,0,0,0,0,0|4,0,0]=4 503 B9R0.46 CCSCCNC(=O)CO 240690a_100000106463_100000210174 [0,0,0,0,0,0|2,0,2]=4 504 B9R0.46 CCSCCNC(=O)CO 527a_100000106463_100000210174 [0,0,0,0,0,0|2,0,2]=4 505 B9R0.46 CCSCCNC(C)CC 2230a_100000106463_100000758301 [0,0,0,0,0,0|4,0,0]=4 506 B9R0.46 CCSCCNC(C)CC 2230a_100000209981_100000757381 [0,0,0,0,0,0|4,0,0]=4 507 B9R0.46 CCSCCNC(C)CO 2230a_100000106463_100012180447 [0,0,0,0,0,0|3,0,0]=3 508 B9R0.46 CCSCCN[C@H](C)CO 2230a_100000737577_100000757381 [0,0,0,0,0,0|3,0,0]=3 509 B9R0.46 CCSCCOC(C)CC 34a_100000212035_100011215416 [0,0,0,0,0,0|4,0,0]=4 510 B9R0.46 CCSCCOC(C)CC 7a_100000210228_100000757381 [0,0,0,0,0,0|4,0,0]=4 511 B9R0.46 CCSCCOC(C)CC 7a_100000212035_100000758301 [0,0,0,0,0,0|4,0,0]=4 512 B9R0.46 CCSCCOC(C)CF 34a_100016041109_100000757381 [0,0,0,0,0,0|4,0,0]=4 513 B9R0.46 CCSCCOC(C)CF 7a_100016041109_100000757381 [0,0,0,0,0,0|4,0,0]=4 514 B9R0.46 CCSCCOC(C)CN 34a_100000210904_100000757381 [0,0,0,0,0,0|4,0,0]=4 515 B9R0.46 CCSCCOC(C)CO 34a_100000212035_100012180447 [0,0,0,0,0,0|3,0,0]=3 516 B9R0.46 CCSCCOC(C)CO 7a_100000212035_100012180447 [0,0,0,0,0,0|3,0,0]=3 517 B9R0.46 CCSCCSC(C)CC 62a_100000757381_100000758301 [0,0,0,0,0,0|4,0,0]=4 518 B9R0.46 CCSCCSC(C)CC 62a_100000758301_100000757381 [0,0,0,0,0,0|4,0,0]=4 519 B9R0.46 CCSCCSC(C)CO 62a_100012180447_100000757381 [0,0,0,0,0,0|3,0,0]=3 520 B9R0.46 CCSCCS[C@H](C)CO 62a_100000757381_100016084084 [0,0,0,0,0,0|3,0,0]=3 521 B9R0.46 CCSCCS[C@H](C)CO 62a_100016084084_100000757381 [0,0,0,0,0,0|3,0,0]=3 522 B9R0.46 CC[C@H](C)CNCCCF 2230a_100015189416_100009816398 [0,0,0,0,0,0|4,0,0]=4 523 B9R0.46 CC[C@H](C)CNCCCF 34a_100015189416_100009816398 [0,0,0,0,0,0|4,0,0]=4 524 B9R0.46 CC[C@H](C)CNCCOC 2230a_100000209980_100009816398 [0,0,0,0,0,0|4,0,0]=4 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62a_100009816398_100011934791 [0,0,0,0,0,0|4,0,0]=4 538 B9R0.46 CC[C@H](C)CSCCCF 62a_100011934791_100009816398 [0,0,0,0,0,0|4,0,0]=4 539 B9R0.46 CC[C@H](C)CSCCCO 62a_100009816398_100011215043 [0,0,0,0,0,0|4,0,0]=4 540 B9R0.46 CC[C@H](C)CSCCCO 62a_100011215043_100009816398 [0,0,0,0,0,0|4,0,0]=4 541 B9R0.46 CC[C@H](C)CSCCOC 62a_100000233755_100009816398 [0,0,0,0,0,0|4,0,0]=4 542 B9R0.46 CC[C@H](C)CSCCOC 62a_100009816398_100000233755 [0,0,0,0,0,0|4,0,0]=4 543 B9R0.46 CC[C@H](C)CSCCSC 62a_100000212216_100009816398 [0,0,0,0,0,0|4,0,0]=4 544 B9R0.46 CC[C@H](C)CSCCSC 62a_100009816398_100000751147 [0,0,0,0,0,0|4,0,0]=4 545 B9R0.46 CN(CF)CCCCCO 269982a_100000722520_100015361967 [0,0,0,0,0,0|4,0,0]=4 546 B9R0.46 CNCCCOC(C)CO 34a_100000213112_100012180447 [0,0,0,0,0,0|3,0,0]=3 547 B9R0.46 COCCCCC(=O)CO 1458a_100000210174_100000755781 [0,0,0,0,0,0|1,0,2]=3 548 B9R0.46 COCCCNC(=O)CO 240690a_100150723488_100000210174 [0,0,0,0,0,0|2,0,2]=4 549 B9R0.46 COCCCNC(=O)CO 527a_100150723488_100000210174 [0,0,0,0,0,0|2,0,2]=4 550 B9R0.46 COCCCNC(C)CO 34a_100150723488_100012180447 [0,0,0,0,0,0|3,0,0]=3 551 B9R0.46 COCCCN[C@H](C)CO 2230a_100000737577_100000740836 [0,0,0,0,0,0|3,0,0]=3 552 B9R0.46 COCCCOC(C)CF 34a_100016041109_100000740836 [0,0,0,0,0,0|4,0,0]=4 553 B9R0.46 COCCCOC(C)CF 7a_100016041109_100000740836 [0,0,0,0,0,0|4,0,0]=4 554 B9R0.46 COCCCOC(C)CN 34a_100000210904_100000740836 [0,0,0,0,0,0|4,0,0]=4 555 B9R0.46 COCCCOC(C)CO 34a_100000740835_100012180447 [0,0,0,0,0,0|3,0,0]=3 556 B9R0.46 COCCCSC(C)CO 62a_100012180447_100000709357 [0,0,0,0,0,0|3,0,0]=3 557 B9R0.46 COCCCS[C@H](C)CO 62a_100000709357_100016084084 [0,0,0,0,0,0|3,0,0]=3 558 B9R0.46 COCCCS[C@H](C)CO 62a_100016084084_100000709357 [0,0,0,0,0,0|3,0,0]=3 559 B9R0.46 COCCNCC(C)CO 34a_100000744482_100011201679 [0,0,0,0,0,0|3,0,0]=3 560 B9R0.46 COCCNCC(O)CO 2230a_100000209980_100011219619 [0,0,0,0,0,0|2,0,0]=2 561 B9R0.46 COCCNC[C@@H](C)CO 2230a_100000209980_100000059175 [0,0,0,0,0,0|3,0,0]=3 562 B9R0.46 COCCNC[C@@H](F)CO 34a_100015665980_100011201679 [0,0,0,0,0,0|3,0,0]=3 563 B9R0.46 COCCNC[C@@H](O)CF 2230a_100000209980_100015614560 [0,0,0,0,0,0|3,0,0]=3 564 B9R0.46 COCCNC[C@@H](O)CO 2230a_100000209980_100009815848 [0,0,0,0,0,0|2,0,0]=2 565 B9R0.46 COCCNC[C@H](O)CO 2230a_100020644852_100011201679 [0,0,0,0,0,0|2,0,0]=2 566 B9R0.46 COCCOCC(C)CN 34a_100000744482_100011201679 [0,0,0,0,0,0|4,0,0]=4 567 B9R0.46 COCCOCC(Cl)CCl 34a_100000033668_100011201679 [0,0,0,0,0,0|4,0,0]=4 568 B9R0.46 COCCOCC(O)CO 34a_100000210237_100011219619 [0,0,0,0,0,0|2,0,0]=2 569 B9R0.46 COCCOC[C@@H](C)CO 34a_100000210237_100000059175 [0,0,0,0,0,0|3,0,0]=3 570 B9R0.46 COCCOC[C@@H](O)CF 34a_100000210237_100015614560 [0,0,0,0,0,0|3,0,0]=3 571 B9R0.46 COCCOC[C@@H](O)CO 34a_100000210237_100009815848 [0,0,0,0,0,0|2,0,0]=2 572 B9R0.46 COCCOC[C@H](F)CN 34a_100015665980_100011201679 [0,0,0,0,0,0|4,0,0]=4 573 B9R0.46 COCCSCC(O)CO 62a_100000233755_100011219619 [0,0,0,0,0,0|2,0,0]=2 574 B9R0.46 COCCSCC(O)CO 62a_100011219619_100000233755 [0,0,0,0,0,0|2,0,0]=2 575 B9R0.46 COCCSC[C@@H](C)CO 62a_100000059175_100000233755 [0,0,0,0,0,0|3,0,0]=3 576 B9R0.46 COCCSC[C@@H](C)CO 62a_100000233755_100000059175 [0,0,0,0,0,0|3,0,0]=3 577 B9R0.46 COCCSC[C@@H](O)CF 62a_100000233755_100015614560 [0,0,0,0,0,0|3,0,0]=3 578 B9R0.46 COCCSC[C@@H](O)CF 62a_100015614560_100000233755 [0,0,0,0,0,0|3,0,0]=3 579 B9R0.46 COCCSC[C@@H](O)CO 62a_100000233755_100009815848 [0,0,0,0,0,0|2,0,0]=2 580 B9R0.46 COCCSC[C@@H](O)CO 62a_100009815848_100000233755 [0,0,0,0,0,0|2,0,0]=2 581 B9R0.46 COCNCCC(C)CO 2230a_106354213184_100000766300 [0,0,0,0,0,0|3,0,0]=3 582 B9R0.46 CSCCCNC(=O)CO 240690a_100000749238_100000210174 [0,0,0,0,0,0|2,0,2]=4 583 B9R0.46 CSCCCNC(=O)CO 527a_100000749238_100000210174 [0,0,0,0,0,0|2,0,2]=4 584 B9R0.46 CSCCCNC(C)CO 2230a_100000749238_100012180447 [0,0,0,0,0,0|3,0,0]=3 585 B9R0.46 CSCCCOC(C)CO 34a_100000690336_100012180447 [0,0,0,0,0,0|3,0,0]=3 586 B9R0.46 CSCCCOC(C)CO 7a_100000690336_100012180447 [0,0,0,0,0,0|3,0,0]=3 587 B9R0.46 CSCCNCC(C)CO 34a_100000744482_100000212216 [0,0,0,0,0,0|3,0,0]=3 588 B9R0.46 CSCCNCC(O)CO 2230a_100020590264_100011219619 [0,0,0,0,0,0|2,0,0]=2 589 B9R0.46 CSCCNC[C@@H](C)CO 2230a_100020590264_100000059175 [0,0,0,0,0,0|3,0,0]=3 590 B9R0.46 CSCCNC[C@@H](F)CO 34a_100015665980_100000212216 [0,0,0,0,0,0|3,0,0]=3 591 B9R0.46 CSCCNC[C@@H](O)CF 2230a_100020590264_100015614560 [0,0,0,0,0,0|3,0,0]=3 592 B9R0.46 CSCCNC[C@@H](O)CO 2230a_100020590264_100009815848 [0,0,0,0,0,0|2,0,0]=2 593 B9R0.46 CSCCNC[C@H](O)CO 2230a_100020644852_100000751147 [0,0,0,0,0,0|2,0,0]=2 594 B9R0.46 CSCCOCC(C)CN 34a_100000744482_100000212216 [0,0,0,0,0,0|4,0,0]=4 595 B9R0.46 CSCCOCC(Cl)CCl 34a_100000033668_100000212216 [0,0,0,0,0,0|4,0,0]=4 596 B9R0.46 CSCCOCC(O)CO 34a_100000230434_100011219619 [0,0,0,0,0,0|2,0,0]=2 597 B9R0.46 CSCCOCC(O)CO 7a_100000230434_100011219619 [0,0,0,0,0,0|2,0,0]=2 598 B9R0.46 CSCCOC[C@@H](C)CO 34a_100000230434_100000059175 [0,0,0,0,0,0|3,0,0]=3 599 B9R0.46 CSCCOC[C@@H](C)CO 7a_100000230434_100000059175 [0,0,0,0,0,0|3,0,0]=3 600 B9R0.46 CSCCOC[C@@H](O)CF 34a_100000230434_100015614560 [0,0,0,0,0,0|3,0,0]=3 601 B9R0.46 CSCCOC[C@@H](O)CF 7a_100000230434_100015614560 [0,0,0,0,0,0|3,0,0]=3 602 B9R0.46 CSCCOC[C@@H](O)CO 34a_100000230434_100009815848 [0,0,0,0,0,0|2,0,0]=2 603 B9R0.46 CSCCOC[C@@H](O)CO 7a_100000230434_100009815848 [0,0,0,0,0,0|2,0,0]=2 604 B9R0.46 CSCCOC[C@H](F)CN 34a_100015665980_100000212216 [0,0,0,0,0,0|4,0,0]=4 605 B9R0.46 CSCCSCC(O)CO 62a_100000212216_100011219619 [0,0,0,0,0,0|2,0,0]=2 606 B9R0.46 CSCCSCC(O)CO 62a_100011219619_100000751147 [0,0,0,0,0,0|2,0,0]=2 607 B9R0.46 CSCCSC[C@@H](C)CO 62a_100000059175_100000751147 [0,0,0,0,0,0|3,0,0]=3 608 B9R0.46 CSCCSC[C@@H](C)CO 62a_100000212216_100000059175 [0,0,0,0,0,0|3,0,0]=3 609 B9R0.46 CSCCSC[C@@H](O)CF 62a_100000212216_100015614560 [0,0,0,0,0,0|3,0,0]=3 610 B9R0.46 CSCCSC[C@@H](O)CF 62a_100015614560_100000751147 [0,0,0,0,0,0|3,0,0]=3 611 B9R0.46 CSCCSC[C@@H](O)CO 62a_100000212216_100009815848 [0,0,0,0,0,0|2,0,0]=2 612 B9R0.46 CSCCSC[C@@H](O)CO 62a_100009815848_100000751147 [0,0,0,0,0,0|2,0,0]=2 613 B9R0.46 CSCNCCC(C)CO 2230a_106354213184_100011218213 [0,0,0,0,0,0|3,0,0]=3 614 B9R0.46 CSCNCCC(C)CO 34a_106354213184_100011218213 [0,0,0,0,0,0|3,0,0]=3 615 B9R0.46 C[C@@H](CN)CCCOCF 34a_100160569302_100015361967 [0,0,0,0,0,0|4,0,0]=4 616 B9R0.46 C[C@@H](CO)CNCCCF 2230a_100015189416_100000059175 [0,0,0,0,0,0|3,0,0]=3 617 B9R0.46 C[C@@H](CO)CNCCCF 34a_100015189416_100000059175 [0,0,0,0,0,0|3,0,0]=3 618 B9R0.46 C[C@@H](CO)COCCCBr 34a_100011217188_100000059175 [0,0,0,0,0,0|3,0,0]=3 619 B9R0.46 C[C@@H](CO)COCCCCl 34a_100000230001_100000059175 [0,0,0,0,0,0|3,0,0]=3 620 B9R0.46 C[C@@H](CO)COCCCF 34a_100000759539_100000059175 [0,0,0,0,0,0|3,0,0]=3 621 B9R0.46 C[C@@H](CO)COCCCN 34a_100000182051_100000059175 [0,0,0,0,0,0|3,0,0]=3 622 B9R0.46 C[C@@H](CO)COCCON 34a_100000700252_100000059175 [0,0,0,0,0,0|4,0,0]=4 623 B9R0.46 C[C@@H](CO)CSCCC#N 62a_100000059175_100011215226 [0,0,0,0,0,0|3,0,1]=4 624 B9R0.46 C[C@@H](CO)CSCCC#N 62a_100011215226_100000059175 [0,0,0,0,0,0|3,0,1]=4 625 B9R0.46 C[C@@H](CO)CSCCCF 62a_100000059175_100011934791 [0,0,0,0,0,0|3,0,0]=3 626 B9R0.46 C[C@@H](CO)CSCCCF 62a_100011934791_100000059175 [0,0,0,0,0,0|3,0,0]=3 627 B9R0.46 C[C@@H](CO)CSCCCO 62a_100000059175_100011215043 [0,0,0,0,0,0|3,0,0]=3 628 B9R0.46 C[C@@H](CO)CSCCCO 62a_100011215043_100000059175 [0,0,0,0,0,0|3,0,0]=3 629 B9R0.46 C[C@H](CO)NCCCC#N 2230a_100000737577_100000687738 [0,0,0,0,0,0|3,0,1]=4 630 B9R0.46 C[C@H](CO)NCCCC=O 2230a_100000737577_200011292268 [0,0,0,0,0,0|3,0,1]=4 631 B9R0.46 C[C@H](CO)NCCCCF 2230a_100000737577_100000729493 [0,0,0,0,0,0|3,0,0]=3 632 B9R0.46 C[C@H](CO)NCCCCO 2230a_100000737577_100000210776 [0,0,0,0,0,0|3,0,0]=3 633 B9R0.46 C[C@H](CO)SCCCC#N 62a_100000687738_100016084084 [0,0,0,0,0,0|3,0,1]=4 634 B9R0.46 C[C@H](CO)SCCCC#N 62a_100016084084_100000687738 [0,0,0,0,0,0|3,0,1]=4 635 B9R0.46 C[C@H](CO)SCCCC=O 62a_100016084084_200011292268 [0,0,0,0,0,0|3,0,1]=4 636 B9R0.46 C[C@H](CO)SCCCC=O 62a_200011292268_100016084084 [0,0,0,0,0,0|3,0,1]=4 637 B9R0.46 C[C@H](CO)SCCCCF 62a_100000729493_100016084084 [0,0,0,0,0,0|3,0,0]=3 638 B9R0.46 C[C@H](CO)SCCCCF 62a_100016084084_100000729493 [0,0,0,0,0,0|3,0,0]=3 639 B9R0.46 C[C@H](CO)SCCCCO 62a_100000210776_100016084084 [0,0,0,0,0,0|3,0,0]=3 640 B9R0.46 C[C@H](CO)SCCCCO 62a_100016084084_100000210776 [0,0,0,0,0,0|3,0,0]=3 641 B9R0.46 FCCCOCC(Cl)CCl 34a_100000033668_100011934791 [0,0,0,0,0,0|4,0,0]=4 642 B9R0.46 N#CCCCCC(=O)CO 1458a_100000210174_100000211819 [0,0,0,0,0,0|1,0,3]=4 643 B9R0.46 N#CCCNC[C@H](O)CO 2230a_100020644852_100011215226 [0,0,0,0,0,0|2,0,1]=3 644 B9R0.46 N#CCCSCC(O)CO 62a_100011215226_100011219619 [0,0,0,0,0,0|2,0,1]=3 645 B9R0.46 N#CCCSCC(O)CO 62a_100011219619_100011215226 [0,0,0,0,0,0|2,0,1]=3 646 B9R0.46 N#CCCSC[C@@H](O)CF 62a_100011215226_100015614560 [0,0,0,0,0,0|3,0,1]=4 647 B9R0.46 N#CCCSC[C@@H](O)CF 62a_100015614560_100011215226 [0,0,0,0,0,0|3,0,1]=4 648 B9R0.46 N#CCCSC[C@@H](O)CO 62a_100009815848_100011215226 [0,0,0,0,0,0|2,0,1]=3 649 B9R0.46 N#CCCSC[C@@H](O)CO 62a_100011215226_100009815848 [0,0,0,0,0,0|2,0,1]=3 650 B9R0.46 N#CSCSCC(O)CO 62a_100000211825_100011219619 [0,0,0,0,0,0|3,0,1]=4 651 B9R0.46 N#CSCSCC(O)CO 62a_100011219619_100000211825 [0,0,0,0,0,0|3,0,1]=4 652 B9R0.46 N#CSCSC[C@@H](O)CO 62a_100000211825_100009815848 [0,0,0,0,0,0|3,0,1]=4 653 B9R0.46 N#CSCSC[C@@H](O)CO 62a_100009815848_100000211825 [0,0,0,0,0,0|3,0,1]=4 654 B9R0.46 NCCCOCC(O)CO 34a_100000182051_100011219619 [0,0,0,0,0,0|2,0,0]=2 655 B9R0.46 NCCCOC[C@@H](O)CF 34a_100000182051_100015614560 [0,0,0,0,0,0|3,0,0]=3 656 B9R0.46 NCCCOC[C@@H](O)CO 34a_100000182051_100009815848 [0,0,0,0,0,0|2,0,0]=2 657 B9R0.46 NC[C@@H](F)COCCCF 34a_100015665980_100011934791 [0,0,0,0,0,0|4,0,0]=4 658 B9R0.46 NC[C@@H](F)COCCCO 34a_100015665980_100000230001 [0,0,0,0,0,0|4,0,0]=4 659 B9R0.46 NOCCOCC(O)CO 34a_100000700252_100011219619 [0,0,0,0,0,0|3,0,0]=3 660 B9R0.46 NOCCOC[C@@H](O)CF 34a_100000700252_100015614560 [0,0,0,0,0,0|4,0,0]=4 661 B9R0.46 NOCCOC[C@@H](O)CO 34a_100000700252_100009815848 [0,0,0,0,0,0|3,0,0]=3 662 B9R0.46 O=C(CF)CCCCCO 1458a_100102619762_100015361967 [0,0,0,0,0,0|2,0,2]=4 663 B9R0.46 O=C(CO)CCCCCF 1458a_100000210174_100000729378 [0,0,0,0,0,0|1,0,2]=3 664 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [0,0,0,0,0,0|1,0,2]=3 665 B9R0.46 O=C(CO)CCOCCO 1458a_100000210174_100011215305 [0,0,0,0,0,0|2,0,2]=4 666 B9R0.46 O=C(CO)NCCCCO 240690a_100000750430_100000210174 [0,0,0,0,0,0|2,0,2]=4 667 B9R0.46 O=C(CO)NCCCCO 527a_100000750430_100000210174 [0,0,0,0,0,0|2,0,2]=4 668 B9R0.46 OCC(O)CNCCCF 2230a_100015189416_100011219619 [0,0,0,0,0,0|2,0,0]=2 669 B9R0.46 OCC(O)CNCCCF 34a_100015189416_100011219619 [0,0,0,0,0,0|2,0,0]=2 670 B9R0.46 OCC(O)COCCCBr 34a_100011217188_100011219619 [0,0,0,0,0,0|2,0,0]=2 671 B9R0.46 OCC(O)COCCCCl 34a_100000230001_100011219619 [0,0,0,0,0,0|2,0,0]=2 672 B9R0.46 OCC(O)COCCCF 34a_100000759539_100011219619 [0,0,0,0,0,0|2,0,0]=2 673 B9R0.46 OCC(O)CSCCCF 62a_100011219619_100011934791 [0,0,0,0,0,0|2,0,0]=2 674 B9R0.46 OCC(O)CSCCCF 62a_100011934791_100011219619 [0,0,0,0,0,0|2,0,0]=2 675 B9R0.46 OCCCNC[C@@H](F)CO 34a_100015665980_100000230001 [0,0,0,0,0,0|3,0,0]=3 676 B9R0.46 OCCCNC[C@H](O)CO 2230a_100020644852_100000230001 [0,0,0,0,0,0|2,0,0]=2 677 B9R0.46 OCCCOCC(Cl)CCl 34a_100000033668_100000230001 [0,0,0,0,0,0|4,0,0]=4 678 B9R0.46 OCCCSCC(O)CO 62a_100011215043_100011219619 [0,0,0,0,0,0|2,0,0]=2 679 B9R0.46 OCCCSCC(O)CO 62a_100011219619_100011215043 [0,0,0,0,0,0|2,0,0]=2 680 B9R0.46 OCCCSC[C@@H](O)CF 62a_100011215043_100015614560 [0,0,0,0,0,0|3,0,0]=3 681 B9R0.46 OCCCSC[C@@H](O)CF 62a_100015614560_100011215043 [0,0,0,0,0,0|3,0,0]=3 682 B9R0.46 OCCCSC[C@@H](O)CO 62a_100009815848_100011215043 [0,0,0,0,0,0|2,0,0]=2 683 B9R0.46 OCCCSC[C@@H](O)CO 62a_100011215043_100009815848 [0,0,0,0,0,0|2,0,0]=2 684 B9R0.46 OCCNN=CC(O)CO 4a_100000210001_100000033539 [0,0,0,0,0,0|3,0,1]=4 685 B9R0.46 OC[C@@H](O)CNCCCF 2230a_100020644852_100011934791 [0,0,0,0,0,0|2,0,0]=2 686 B9R0.46 OC[C@H](F)CNCCCF 34a_100015665980_100011934791 [0,0,0,0,0,0|3,0,0]=3 687 B9R0.46 OC[C@H](O)CNCCCF 2230a_100015189416_100009815848 [0,0,0,0,0,0|2,0,0]=2 688 B9R0.46 OC[C@H](O)CNCCCF 34a_100015189416_100009815848 [0,0,0,0,0,0|2,0,0]=2 689 B9R0.46 OC[C@H](O)COCCCBr 34a_100011217188_100009815848 [0,0,0,0,0,0|2,0,0]=2 690 B9R0.46 OC[C@H](O)COCCCCl 34a_100000230001_100009815848 [0,0,0,0,0,0|2,0,0]=2 691 B9R0.46 OC[C@H](O)COCCCF 34a_100000759539_100009815848 [0,0,0,0,0,0|2,0,0]=2 692 B9R0.46 OC[C@H](O)CSCCCF 62a_100009815848_100011934791 [0,0,0,0,0,0|2,0,0]=2 693 B9R0.46 OC[C@H](O)CSCCCF 62a_100011934791_100009815848 [0,0,0,0,0,0|2,0,0]=2 694 B9R0.46 O[C@@H](CF)CNCCCF 2230a_100015189416_100015614560 [0,0,0,0,0,0|3,0,0]=3 695 B9R0.46 O[C@@H](CF)CNCCCF 34a_100015189416_100015614560 [0,0,0,0,0,0|3,0,0]=3 696 B9R0.46 O[C@@H](CF)COCCCBr 34a_100011217188_100015614560 [0,0,0,0,0,0|3,0,0]=3 697 B9R0.46 O[C@@H](CF)COCCCCl 34a_100000230001_100015614560 [0,0,0,0,0,0|3,0,0]=3 698 B9R0.46 O[C@@H](CF)COCCCF 34a_100000759539_100015614560 [0,0,0,0,0,0|3,0,0]=3 699 B9R0.46 O[C@@H](CF)CSCCCF 62a_100011934791_100015614560 [0,0,0,0,0,0|3,0,0]=3 700 B9R0.46 O[C@@H](CF)CSCCCF 62a_100015614560_100011934791 [0,0,0,0,0,0|3,0,0]=3 701 B8R0.4 C#CCCCCCNC 2230a_106832991635_100012094781 [1,0,0,0,0,0|2,0,1]=4 702 B8R0.4 C#CCCCCCNC 34a_100102657272_100012094781 [1,0,0,0,0,0|2,0,1]=4 703 B8R0.4 C#CCCCCCNC 7a_106832991635_100012094781 [1,0,0,0,0,0|2,0,1]=4 704 B8R0.4 C#CCCCCCOC 34a_100000766912_200000210301 [1,0,0,0,0,0|2,0,1]=4 705 B8R0.4 C#CCCCCCOC 34a_100138415774_100012094781 [1,0,0,0,0,0|2,0,1]=4 706 B8R0.4 C#CCCCCCOC 7a_100000766912_200000210301 [1,0,0,0,0,0|2,0,1]=4 707 B8R0.4 C#CCCCCCO[13CH3] 34a_100000766912_200025704644 [1,0,0,0,0,0|2,0,1]=4 708 B8R0.4 C#CCCCCCO[13CH3] 7a_100000766912_200025704644 [1,0,0,0,0,0|2,0,1]=4 709 B8R0.4 C#CCCCCCSC 62a_100012094781_200000210301 [1,0,0,0,0,0|2,0,1]=4 710 B8R0.4 C#CCCCCCSC 62a_200000210301_100012094781 [1,0,0,0,0,0|2,0,1]=4 711 B8R0.4 C#CCCCCCS[13CH3] 62a_100012094781_200025704644 [1,0,0,0,0,0|2,0,1]=4 712 B8R0.4 C#CCCCCCS[13CH3] 62a_200025704644_100012094781 [1,0,0,0,0,0|2,0,1]=4 713 B8R0.4 C#CCCCCNCC 2230a_100000706060_100000210202 [1,0,0,0,0,0|2,0,1]=4 714 B8R0.4 C#CCCCCNCC 2230a_100015525214_100010269958 [1,0,0,0,0,0|2,0,1]=4 715 B8R0.4 C#CCCCCNCC 34a_100000706060_100000210202 [1,0,0,0,0,0|2,0,1]=4 716 B8R0.4 C#CCCCCOCC 34a_100000766709_100000210202 [1,0,0,0,0,0|2,0,1]=4 717 B8R0.4 C#CCCCCOCC 34a_100121572206_100010269958 [1,0,0,0,0,0|2,0,1]=4 718 B8R0.4 C#CCCCCOCC 7a_100000766709_100000210202 [1,0,0,0,0,0|2,0,1]=4 719 B8R0.4 C#CCCCCSCC 62a_100000210202_100010269958 [1,0,0,0,0,0|2,0,1]=4 720 B8R0.4 C#CCCCCSCC 62a_100010269958_100000210202 [1,0,0,0,0,0|2,0,1]=4 721 B8R0.4 C#CCCCNCCC 34a_100000718082_100000210303 [1,0,0,0,0,0|2,0,1]=4 722 B8R0.4 C#CCCCNCCO 2230a_100016997473_100000731252 [1,0,0,0,0,0|1,0,2]=4 723 B8R0.4 C#CCCCNCCO 34a_100000718082_100000211926 [1,0,0,0,0,0|1,0,2]=4 724 B8R0.4 C#CCCCNCCO 34a_100016990907_100000695029 [1,0,0,0,0,0|1,0,2]=4 725 B8R0.4 C#CCCCOCCC 34a_100000210258_100000695029 [1,0,0,0,0,0|2,0,1]=4 726 B8R0.4 C#CCCCOCCC 34a_100000215630_100000210303 [1,0,0,0,0,0|2,0,1]=4 727 B8R0.4 C#CCCCOCCC 7a_100000215630_100000210303 [1,0,0,0,0,0|2,0,1]=4 728 B8R0.4 C#CCCCOCCO 34a_100000215630_100000211926 [1,0,0,0,0,0|1,0,2]=4 729 B8R0.4 C#CCCCOCCO 7a_100000215630_100000211926 [1,0,0,0,0,0|1,0,2]=4 730 B8R0.4 C#CCCCSCCC 62a_100000210303_100011215417 [1,0,0,0,0,0|2,0,1]=4 731 B8R0.4 C#CCCCSCCC 62a_100011215417_100000210303 [1,0,0,0,0,0|2,0,1]=4 732 B8R0.4 C#CCCCSCCO 62a_100000211926_100011215417 [1,0,0,0,0,0|1,0,2]=4 733 B8R0.4 C#CCCCSCCO 62a_100011215417_100000211926 [1,0,0,0,0,0|1,0,2]=4 734 B8R0.4 C#CCCNCCCC 2230a_100000102301_100000688953 [1,0,0,0,0,0|2,0,1]=4 735 B8R0.4 C#CCCNCCCC 34a_100000755551_100000210210 [1,0,0,0,0,0|2,0,1]=4 736 B8R0.4 C#CCCNCCCC 7a_106832991798_100000688953 [1,0,0,0,0,0|2,0,1]=4 737 B8R0.4 C#CCCNCCCO 34a_100000755551_100000230001 [1,0,0,0,0,0|1,0,2]=4 738 B8R0.4 C#CCCOCCCC 34a_100000210227_100000688953 [1,0,0,0,0,0|2,0,1]=4 739 B8R0.4 C#CCCOCCCC 34a_100011215631_100000210210 [1,0,0,0,0,0|2,0,1]=4 740 B8R0.4 C#CCCOCCCC 7a_100000210227_100000688953 [1,0,0,0,0,0|2,0,1]=4 741 B8R0.4 C#CCCOCCCO 34a_100011215631_100000230001 [1,0,0,0,0,0|1,0,2]=4 742 B8R0.4 C#CCCSCCCC 62a_100000210211_100000688953 [1,0,0,0,0,0|2,0,1]=4 743 B8R0.4 C#CCCSCCCC 62a_100000688953_100000210210 [1,0,0,0,0,0|2,0,1]=4 744 B8R0.4 C#CCCSCCCO 62a_100000688953_100011215043 [1,0,0,0,0,0|1,0,2]=4 745 B8R0.4 C#CCCSCCCO 62a_100011215043_100000688953 [1,0,0,0,0,0|1,0,2]=4 746 B8R0.4 C#CCNCCCCC 2230a_100000209983_100000038162 [1,0,0,0,0,0|2,0,1]=4 747 B8R0.4 C#CCNCCCCC 34a_100000212058_100000718602 [1,0,0,0,0,0|2,0,1]=4 748 B8R0.4 C#CCNCCCCO 2230a_100000750430_100000038162 [1,0,0,0,0,0|1,0,2]=4 749 B8R0.4 C#CCNCCCCO 34a_100000212058_100011216708 [1,0,0,0,0,0|1,0,2]=4 750 B8R0.4 C#CCNCCCCO 34a_100000750430_100000184674 [1,0,0,0,0,0|1,0,2]=4 751 B8R0.4 C#CCOCCCCC 34a_100000210247_100000718602 [1,0,0,0,0,0|2,0,1]=4 752 B8R0.4 C#CCOCCCCC 34a_100000210253_100000184674 [1,0,0,0,0,0|2,0,1]=4 753 B8R0.4 C#CCOCCCCC 7a_100000210253_100000038162 [1,0,0,0,0,0|2,0,1]=4 754 B8R0.4 C#CCOCCCCO 34a_100000210247_100011216708 [1,0,0,0,0,0|1,0,2]=4 755 B8R0.4 C#CCSCCCCC 62a_100000038162_100000210326 [1,0,0,0,0,0|2,0,1]=4 756 B8R0.4 C#CCSCCCCO 62a_100000038162_100000210776 [1,0,0,0,0,0|1,0,2]=4 757 B8R0.4 C/C=C/CCOCCO 34a_100016278192_100000211926 [1,0,0,0,0,0|1,0,2]=4 758 B8R0.4 C/C=C/COCCCO 34a_100016270725_100000230001 [1,0,0,0,0,0|1,0,2]=4 759 B8R0.4 C/C=C/CSCCCO 62a_100011215043_100102629194 [1,0,0,0,0,0|1,0,2]=4 760 B8R0.4 C/C=C/CSCCCO 62a_100102629194_100011215043 [1,0,0,0,0,0|1,0,2]=4 761 B8R0.4 C=CCCCCCNC 2230a_106832991635_100000700193 [1,0,0,0,0,0|2,0,1]=4 762 B8R0.4 C=CCCCCCNC 34a_100102657272_100000700193 [1,0,0,0,0,0|2,0,1]=4 763 B8R0.4 C=CCCCCCNC 7a_106832991635_100000700193 [1,0,0,0,0,0|2,0,1]=4 764 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [1,0,0,0,0,0|2,0,1]=4 765 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [1,0,0,0,0,0|2,0,1]=4 766 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [1,0,0,0,0,0|2,0,1]=4 767 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [1,0,0,0,0,0|2,0,1]=4 768 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [1,0,0,0,0,0|2,0,1]=4 769 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [1,0,0,0,0,0|2,0,1]=4 770 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [1,0,0,0,0,0|2,0,1]=4 771 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [1,0,0,0,0,0|2,0,1]=4 772 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [1,0,0,0,0,0|2,0,1]=4 773 B8R0.4 C=CCCCCNCC 2230a_100000703577_100000210202 [1,0,0,0,0,0|2,0,1]=4 774 B8R0.4 C=CCCCCNCC 2230a_100015525214_100011215482 [1,0,0,0,0,0|2,0,1]=4 775 B8R0.4 C=CCCCCNCC 34a_100000703577_100000210202 [1,0,0,0,0,0|2,0,1]=4 776 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [1,0,0,0,0,0|2,0,1]=4 777 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [1,0,0,0,0,0|2,0,1]=4 778 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [1,0,0,0,0,0|2,0,1]=4 779 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [1,0,0,0,0,0|2,0,1]=4 780 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [1,0,0,0,0,0|2,0,1]=4 781 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [1,0,0,0,0,0|2,0,1]=4 782 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [1,0,0,0,0,0|2,0,1]=4 783 B8R0.4 C=CCCCNCCO 2230a_100000700776_100000211926 [1,0,0,0,0,0|1,0,2]=4 784 B8R0.4 C=CCCCNCCO 2230a_100016997473_100011713584 [1,0,0,0,0,0|1,0,2]=4 785 B8R0.4 C=CCCCNCCO 34a_100000700776_100000211926 [1,0,0,0,0,0|1,0,2]=4 786 B8R0.4 C=CCCCNCCO 34a_100016990907_100000757094 [1,0,0,0,0,0|1,0,2]=4 787 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [1,0,0,0,0,0|2,0,1]=4 788 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [1,0,0,0,0,0|2,0,1]=4 789 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [1,0,0,0,0,0|2,0,1]=4 790 B8R0.4 C=CCCCOCCO 34a_100000758997_100000211926 [1,0,0,0,0,0|1,0,2]=4 791 B8R0.4 C=CCCCOCCO 7a_100000758997_100000211926 [1,0,0,0,0,0|1,0,2]=4 792 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [1,0,0,0,0,0|2,0,1]=4 793 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [1,0,0,0,0,0|2,0,1]=4 794 B8R0.4 C=CCCCSCCO 62a_100000211926_100000757094 [1,0,0,0,0,0|1,0,2]=4 795 B8R0.4 C=CCCCSCCO 62a_100011713584_100000211926 [1,0,0,0,0,0|1,0,2]=4 796 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [1,0,0,0,0,0|2,0,1]=4 797 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [1,0,0,0,0,0|2,0,1]=4 798 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [1,0,0,0,0,0|2,0,1]=4 799 B8R0.4 C=CCCNCCCO 2230a_100015191253_100000230001 [1,0,0,0,0,0|1,0,2]=4 800 B8R0.4 C=CCCOCCCC 34a_100000210227_100000754431 [1,0,0,0,0,0|2,0,1]=4 801 B8R0.4 C=CCCOCCCC 34a_100011205117_100000210210 [1,0,0,0,0,0|2,0,1]=4 802 B8R0.4 C=CCCOCCCC 7a_100000210227_100000754431 [1,0,0,0,0,0|2,0,1]=4 803 B8R0.4 C=CCCOCCCO 34a_100011205117_100000230001 [1,0,0,0,0,0|1,0,2]=4 804 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [1,0,0,0,0,0|2,0,1]=4 805 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [1,0,0,0,0,0|2,0,1]=4 806 B8R0.4 C=CCCSCCCO 62a_100000754431_100011215043 [1,0,0,0,0,0|1,0,2]=4 807 B8R0.4 C=CCCSCCCO 62a_100011215043_100000754431 [1,0,0,0,0,0|1,0,2]=4 808 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [1,0,0,0,0,0|2,0,1]=4 809 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [1,0,0,0,0,0|2,0,1]=4 810 B8R0.4 C=CCNCCCCO 2230a_100000750430_100000210623 [1,0,0,0,0,0|1,0,2]=4 811 B8R0.4 C=CCNCCCCO 2230a_100020586998_100000210776 [1,0,0,0,0,0|1,0,2]=4 812 B8R0.4 C=CCNCCCCO 34a_100000750430_100015514636 [1,0,0,0,0,0|1,0,2]=4 813 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [1,0,0,0,0,0|2,0,1]=4 814 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [1,0,0,0,0,0|2,0,1]=4 815 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [1,0,0,0,0,0|2,0,1]=4 816 B8R0.4 C=CCOCCCCO 34a_200000210373_100011216708 [1,0,0,0,0,0|1,0,2]=4 817 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [1,0,0,0,0,0|2,0,1]=4 818 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [1,0,0,0,0,0|2,0,1]=4 819 B8R0.4 C=CCSCCCCO 62a_100000210623_100000210776 [1,0,0,0,0,0|1,0,2]=4 820 B8R0.4 C=CCSCCCCO 62a_100000210776_100000210623 [1,0,0,0,0,0|1,0,2]=4 821 B8R0.4 CC#CCCOCCO 34a_100000750427_100000211926 [1,0,0,0,0,0|1,0,2]=4 822 B8R0.4 CC#CCNCCCO 2230a_100000685387_100000230001 [1,0,0,0,0,0|1,0,2]=4 823 B8R0.4 CC#CCNCCCO 34a_100000685387_100000230001 [1,0,0,0,0,0|1,0,2]=4 824 B8R0.4 CC#CCOCCCO 34a_100000761923_100000230001 [1,0,0,0,0,0|1,0,2]=4 825 B8R0.4 CC#CCSCCCO 62a_100000748600_100011215043 [1,0,0,0,0,0|1,0,2]=4 826 B8R0.4 CC#CCSCCCO 62a_100011215043_100000748600 [1,0,0,0,0,0|1,0,2]=4 827 B8R0.4 CC/C=C\CNCCO 2230a_100016997473_100103147603 [1,0,0,0,0,0|1,0,2]=4 828 B8R0.4 CC/C=C\CNCCO 34a_100016990907_100103147603 [1,0,0,0,0,0|1,0,2]=4 829 B8R0.4 CC/C=C\COCCO 34a_100016268518_100000211926 [1,0,0,0,0,0|1,0,2]=4 830 B8R0.4 CC/C=C\CSCCO 62a_100000211926_100103147603 [1,0,0,0,0,0|1,0,2]=4 831 B8R0.4 CC/C=C\CSCCO 62a_100103147603_100000211926 [1,0,0,0,0,0|1,0,2]=4 832 B8R0.4 CC=CCSCCCO 62a_100000070051_100011215043 [1,0,0,0,0,0|1,0,2]=4 833 B8R0.4 CC=CCSCCCO 62a_100011215043_100000070051 [1,0,0,0,0,0|1,0,2]=4 834 B8R0.4 CCC#CCNCCO 2230a_100016997473_100009813939 [1,0,0,0,0,0|1,0,2]=4 835 B8R0.4 CCC#CCNCCO 34a_100016990907_100009813939 [1,0,0,0,0,0|1,0,2]=4 836 B8R0.4 CCC#CCOCCO 34a_100000032950_100000211926 [1,0,0,0,0,0|1,0,2]=4 837 B8R0.4 CCC#CCSCCO 62a_100000211926_100009813939 [1,0,0,0,0,0|1,0,2]=4 838 B8R0.4 CCC#CCSCCO 62a_100009813939_100000211926 [1,0,0,0,0,0|1,0,2]=4 839 B8R0.4 CCCC=NNCCO 4a_100000210001_100000185831 [1,0,0,0,0,0|2,0,1]=4 840 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [1,0,0,0,0,0|2,0,0]=3 841 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [1,0,0,0,0,0|2,0,0]=3 842 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [1,0,0,0,0,0|2,0,0]=3 843 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [1,0,0,0,0,0|2,0,0]=3 844 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [1,0,0,0,0,0|2,0,0]=3 845 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [1,0,0,0,0,0|2,0,0]=3 846 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [1,0,0,0,0,0|2,0,0]=3 847 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [1,0,0,0,0,0|2,0,0]=3 848 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [1,0,0,0,0,0|2,0,0]=3 849 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [1,0,0,0,0,0|2,0,0]=3 850 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [1,0,0,0,0,0|2,0,0]=3 851 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [1,0,0,0,0,0|2,0,0]=3 852 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [1,0,0,0,0,0|2,0,0]=3 853 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [1,0,0,0,0,0|2,0,0]=3 854 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [1,0,0,0,0,0|2,0,0]=3 855 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [1,0,0,0,0,0|2,0,0]=3 856 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [1,0,0,0,0,0|2,0,0]=3 857 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [1,0,0,0,0,0|2,0,0]=3 858 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [1,0,0,0,0,0|2,0,0]=3 859 B8R0.4 CCCCCCOCF 34a_100000210259_100015361967 [1,0,0,0,0,0|2,0,0]=3 860 B8R0.4 CCCCCCOCF 7a_100000210259_100015361967 [1,0,0,0,0,0|2,0,0]=3 861 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [1,0,0,0,0,0|2,0,0]=3 862 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [1,0,0,0,0,0|2,0,0]=3 863 B8R0.4 CCCCCCSCF 62a_100000210314_100015361967 [1,0,0,0,0,0|2,0,0]=3 864 B8R0.4 CCCCCCSCF 62a_100015361967_100000210757 [1,0,0,0,0,0|2,0,0]=3 865 B8R0.4 CCCCCNCC#N 2230a_100000209983_100011215382 [1,0,0,0,0,0|2,0,1]=4 866 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [1,0,0,0,0,0|1,0,2]=4 867 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [1,0,0,0,0,0|2,0,0]=3 868 B8R0.4 CCCCCNCCF 2230a_100000209983_100011217306 [1,0,0,0,0,0|2,0,0]=3 869 B8R0.4 CCCCCNCCF 34a_100000724931_100000718602 [1,0,0,0,0,0|2,0,0]=3 870 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [1,0,0,0,0,0|1,0,0]=2 871 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [1,0,0,0,0,0|1,0,0]=2 872 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [1,0,0,0,0,0|1,0,0]=2 873 B8R0.4 CCCCCNCOC 2230a_100000209983_100000766300 [1,0,0,0,0,0|3,0,0]=4 874 B8R0.4 CCCCCNCSC 2230a_100000209983_100011218213 [1,0,0,0,0,0|3,0,0]=4 875 B8R0.4 CCCCCOCC#N 7a_100000210253_100011215382 [1,0,0,0,0,0|2,0,1]=4 876 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [1,0,0,0,0,0|1,0,2]=4 877 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [1,0,0,0,0,0|1,0,2]=4 878 B8R0.4 CCCCCOCCBr 34a_100000211926_100000718602 [1,0,0,0,0,0|2,0,0]=3 879 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [1,0,0,0,0,0|2,0,0]=3 880 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [1,0,0,0,0,0|2,0,0]=3 881 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [1,0,0,0,0,0|2,0,0]=3 882 B8R0.4 CCCCCOCCF 34a_100000210253_100011217306 [1,0,0,0,0,0|2,0,0]=3 883 B8R0.4 CCCCCOCCF 7a_100000210253_100011217306 [1,0,0,0,0,0|2,0,0]=3 884 B8R0.4 CCCCCOCCN 34a_100000210304_100000718602 [1,0,0,0,0,0|2,0,0]=3 885 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [1,0,0,0,0,0|1,0,0]=2 886 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [1,0,0,0,0,0|1,0,0]=2 887 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [1,0,0,0,0,0|3,0,0]=4 888 B8R0.4 CCCCCSCC#N 62a_100000210326_100011215382 [1,0,0,0,0,0|2,0,1]=4 889 B8R0.4 CCCCCSCC#N 62a_100011215382_100000210326 [1,0,0,0,0,0|2,0,1]=4 890 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [1,0,0,0,0,0|1,0,2]=4 891 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [1,0,0,0,0,0|1,0,2]=4 892 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [1,0,0,0,0,0|2,0,0]=3 893 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [1,0,0,0,0,0|2,0,0]=3 894 B8R0.4 CCCCCSCCF 62a_100000210326_100011217306 [1,0,0,0,0,0|2,0,0]=3 895 B8R0.4 CCCCCSCCF 62a_100011217306_100000210326 [1,0,0,0,0,0|2,0,0]=3 896 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [1,0,0,0,0,0|1,0,0]=2 897 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [1,0,0,0,0,0|1,0,0]=2 898 B8R0.4 CCCCCSCOC 62a_100000210326_100000766300 [1,0,0,0,0,0|3,0,0]=4 899 B8R0.4 CCCCCSCOC 62a_100000766300_100000210326 [1,0,0,0,0,0|3,0,0]=4 900 B8R0.4 CCCCCSCSC 62a_100000210326_100011218213 [1,0,0,0,0,0|3,0,0]=4 901 B8R0.4 CCCCCSCSC 62a_100011218213_100000210326 [1,0,0,0,0,0|3,0,0]=4 902 B8R0.4 CCCCNCCC#N 2230a_100000102301_100011215226 [1,0,0,0,0,0|2,0,1]=4 903 B8R0.4 CCCCNCCC#N 7a_106832991798_100000184422 [1,0,0,0,0,0|2,0,1]=4 904 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [1,0,0,0,0,0|2,0,0]=3 905 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [1,0,0,0,0,0|2,0,0]=3 906 B8R0.4 CCCCNCCCF 2230a_100000102301_100011934791 [1,0,0,0,0,0|2,0,0]=3 907 B8R0.4 CCCCNCCCF 2230a_100015189416_100000210211 [1,0,0,0,0,0|2,0,0]=3 908 B8R0.4 CCCCNCCCF 34a_100015189416_100000210210 [1,0,0,0,0,0|2,0,0]=3 909 B8R0.4 CCCCNCCCF 7a_106832991798_100011934791 [1,0,0,0,0,0|2,0,0]=3 910 B8R0.4 CCCCNCCCO 2230a_100000102301_100000230001 [1,0,0,0,0,0|1,0,0]=2 911 B8R0.4 CCCCNCCCO 7a_106832991798_100011215043 [1,0,0,0,0,0|1,0,0]=2 912 B8R0.4 CCCCNCCOC 2230a_100000102301_100011201679 [1,0,0,0,0,0|3,0,0]=4 913 B8R0.4 CCCCNCCOC 2230a_100000209980_100000210211 [1,0,0,0,0,0|3,0,0]=4 914 B8R0.4 CCCCNCCOC 7a_106832991798_100000233755 [1,0,0,0,0,0|3,0,0]=4 915 B8R0.4 CCCCNCCSC 2230a_100000102301_100000751147 [1,0,0,0,0,0|3,0,0]=4 916 B8R0.4 CCCCNCCSC 2230a_100020590264_100000210211 [1,0,0,0,0,0|3,0,0]=4 917 B8R0.4 CCCCNCCSC 7a_106832991798_100000212216 [1,0,0,0,0,0|3,0,0]=4 918 B8R0.4 CCCCOCCC#N 7a_100000210227_100000184422 [1,0,0,0,0,0|2,0,1]=4 919 B8R0.4 CCCCOCCCBr 34a_100011217188_100000210210 [1,0,0,0,0,0|2,0,0]=3 920 B8R0.4 CCCCOCCCC 34a_100000210227_100000210210 [1,0,0,0,0,0|2,0,0]=3 921 B8R0.4 CCCCOCCCC 7a_100000210227_100000210211 [1,0,0,0,0,0|2,0,0]=3 922 B8R0.4 CCCCOCCCCl 34a_100000230001_100000210210 [1,0,0,0,0,0|2,0,0]=3 923 B8R0.4 CCCCOCCCF 34a_100000210227_100011934791 [1,0,0,0,0,0|2,0,0]=3 924 B8R0.4 CCCCOCCCF 34a_100000759539_100000210210 [1,0,0,0,0,0|2,0,0]=3 925 B8R0.4 CCCCOCCCF 7a_100000210227_100011934791 [1,0,0,0,0,0|2,0,0]=3 926 B8R0.4 CCCCOCCCN 34a_100000182051_100000210210 [1,0,0,0,0,0|2,0,0]=3 927 B8R0.4 CCCCOCCCO 34a_100000210227_100000230001 [1,0,0,0,0,0|1,0,0]=2 928 B8R0.4 CCCCOCCCO 7a_100000210227_100011215043 [1,0,0,0,0,0|1,0,0]=2 929 B8R0.4 CCCCOCCNC 2230a_106832991635_100000743108 [1,0,0,0,0,0|3,0,0]=4 930 B8R0.4 CCCCOCCNC 34a_100102657272_100000743108 [1,0,0,0,0,0|3,0,0]=4 931 B8R0.4 CCCCOCCNC 7a_106832991635_100000743108 [1,0,0,0,0,0|3,0,0]=4 932 B8R0.4 CCCCOCCOC 34a_100000210227_100011201679 [1,0,0,0,0,0|3,0,0]=4 933 B8R0.4 CCCCOCCOC 34a_100000210237_100000210210 [1,0,0,0,0,0|3,0,0]=4 934 B8R0.4 CCCCOCCOC 34a_100000210238_200000210301 [1,0,0,0,0,0|3,0,0]=4 935 B8R0.4 CCCCOCCOC 34a_100138415774_100000743108 [1,0,0,0,0,0|3,0,0]=4 936 B8R0.4 CCCCOCCOC 7a_100000210227_100000233755 [1,0,0,0,0,0|3,0,0]=4 937 B8R0.4 CCCCOCCOC 7a_100000210238_200000210301 [1,0,0,0,0,0|3,0,0]=4 938 B8R0.4 CCCCOCCON 34a_100000700252_100000210210 [1,0,0,0,0,0|3,0,0]=4 939 B8R0.4 CCCCOCCO[13CH3] 34a_100000210238_200025704644 [1,0,0,0,0,0|3,0,0]=4 940 B8R0.4 CCCCOCCO[13CH3] 7a_100000210238_200025704644 [1,0,0,0,0,0|3,0,0]=4 941 B8R0.4 CCCCOCCSC 34a_100000210227_100000212216 [1,0,0,0,0,0|3,0,0]=4 942 B8R0.4 CCCCOCCSC 34a_100000230434_100000210210 [1,0,0,0,0,0|3,0,0]=4 943 B8R0.4 CCCCOCCSC 62a_100000743108_200000210301 [1,0,0,0,0,0|3,0,0]=4 944 B8R0.4 CCCCOCCSC 62a_200000210301_100000743108 [1,0,0,0,0,0|3,0,0]=4 945 B8R0.4 CCCCOCCSC 7a_100000210227_100000212216 [1,0,0,0,0,0|3,0,0]=4 946 B8R0.4 CCCCOCCSC 7a_100000230434_100000210211 [1,0,0,0,0,0|3,0,0]=4 947 B8R0.4 CCCCOCCS[13CH3] 62a_100000743108_200025704644 [1,0,0,0,0,0|3,0,0]=4 948 B8R0.4 CCCCOCCS[13CH3] 62a_200025704644_100000743108 [1,0,0,0,0,0|3,0,0]=4 949 B8R0.4 CCCCOCNCC 2230a_100015525214_100011995733 [1,0,0,0,0,0|3,0,0]=4 950 B8R0.4 CCCCOCOCC 34a_100121572206_100011995733 [1,0,0,0,0,0|3,0,0]=4 951 B8R0.4 CCCCOCSCC 62a_100000210202_100011995733 [1,0,0,0,0,0|3,0,0]=4 952 B8R0.4 CCCCOCSCC 62a_100011995733_100000210202 [1,0,0,0,0,0|3,0,0]=4 953 B8R0.4 CCCCOCSCF 62a_100011995733_100015361967 [1,0,0,0,0,0|3,0,0]=4 954 B8R0.4 CCCCOCSCF 62a_100015361967_100011995733 [1,0,0,0,0,0|3,0,0]=4 955 B8R0.4 CCCCSCCC#N 62a_100000210211_100011215226 [1,0,0,0,0,0|2,0,1]=4 956 B8R0.4 CCCCSCCC#N 62a_100011215226_100000210210 [1,0,0,0,0,0|2,0,1]=4 957 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [1,0,0,0,0,0|2,0,0]=3 958 B8R0.4 CCCCSCCCF 62a_100000210211_100011934791 [1,0,0,0,0,0|2,0,0]=3 959 B8R0.4 CCCCSCCCF 62a_100011934791_100000210210 [1,0,0,0,0,0|2,0,0]=3 960 B8R0.4 CCCCSCCCO 62a_100000210211_100011215043 [1,0,0,0,0,0|1,0,0]=2 961 B8R0.4 CCCCSCCCO 62a_100011215043_100000210210 [1,0,0,0,0,0|1,0,0]=2 962 B8R0.4 CCCCSCCNC 2230a_100025743550_200000210301 [1,0,0,0,0,0|3,0,0]=4 963 B8R0.4 CCCCSCCN[13CH3] 2230a_100025743550_200025704644 [1,0,0,0,0,0|3,0,0]=4 964 B8R0.4 CCCCSCCOC 34a_200000230436_200000210301 [1,0,0,0,0,0|3,0,0]=4 965 B8R0.4 CCCCSCCOC 62a_100000210211_100000233755 [1,0,0,0,0,0|3,0,0]=4 966 B8R0.4 CCCCSCCOC 62a_100000233755_100000210210 [1,0,0,0,0,0|3,0,0]=4 967 B8R0.4 CCCCSCCOC 7a_200000230436_200000210301 [1,0,0,0,0,0|3,0,0]=4 968 B8R0.4 CCCCSCCO[13CH3] 34a_200000230436_200025704644 [1,0,0,0,0,0|3,0,0]=4 969 B8R0.4 CCCCSCCO[13CH3] 7a_200000230436_200025704644 [1,0,0,0,0,0|3,0,0]=4 970 B8R0.4 CCCCSCCSC 62a_100000210211_100000751147 [1,0,0,0,0,0|3,0,0]=4 971 B8R0.4 CCCCSCCSC 62a_100000212216_100000210210 [1,0,0,0,0,0|3,0,0]=4 972 B8R0.4 CCCCSCOCC 62a_100000210211_100000739092 [1,0,0,0,0,0|3,0,0]=4 973 B8R0.4 CCCCSCOCC 62a_100000739092_100000210210 [1,0,0,0,0,0|3,0,0]=4 974 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [1,0,0,0,0,0|1,0,0]=2 975 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [1,0,0,0,0,0|1,0,0]=2 976 B8R0.4 CCCNCCCOC 34a_100150723488_100000210303 [1,0,0,0,0,0|3,0,0]=4 977 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [1,0,0,0,0,0|3,0,0]=4 978 B8R0.4 CCCNCCOCC 2230a_102516460346_100000210303 [1,0,0,0,0,0|3,0,0]=4 979 B8R0.4 CCCNCCOCC 34a_102516460346_100000210303 [1,0,0,0,0,0|3,0,0]=4 980 B8R0.4 CCCNCCSCC 2230a_100000106463_100000210303 [1,0,0,0,0,0|3,0,0]=4 981 B8R0.4 CCCOCC#CCO 34a_100000210258_200000047223 [1,0,0,0,0,0|1,0,2]=4 982 B8R0.4 CCCOCCCCBr 34a_100011216708_100000210303 [1,0,0,0,0,0|2,0,0]=3 983 B8R0.4 CCCOCCCCCl 34a_100000210776_100000210303 [1,0,0,0,0,0|2,0,0]=3 984 B8R0.4 CCCOCCCCCl 7a_100000210776_100000210303 [1,0,0,0,0,0|2,0,0]=3 985 B8R0.4 CCCOCCCCF 34a_100000210258_100000729493 [1,0,0,0,0,0|2,0,0]=3 986 B8R0.4 CCCOCCCCF 34a_100011995726_100000210303 [1,0,0,0,0,0|2,0,0]=3 987 B8R0.4 CCCOCCCCF 7a_100011995726_100000210303 [1,0,0,0,0,0|2,0,0]=3 988 B8R0.4 CCCOCCCCI 34a_200012148704_100000210303 [1,0,0,0,0,0|2,0,0]=3 989 B8R0.4 CCCOCCCCN 34a_100000750430_100000210303 [1,0,0,0,0,0|2,0,0]=3 990 B8R0.4 CCCOCCCCO 34a_100000210258_100011216708 [1,0,0,0,0,0|1,0,0]=2 991 B8R0.4 CCCOCCCNC 2230a_100011217757_200000210301 [1,0,0,0,0,0|3,0,0]=4 992 B8R0.4 CCCOCCCNC 34a_100000213112_100000210303 [1,0,0,0,0,0|3,0,0]=4 993 B8R0.4 CCCOCCCNC 34a_100011217757_200000210301 [1,0,0,0,0,0|3,0,0]=4 994 B8R0.4 CCCOCCCN[13CH3] 2230a_100011217757_200025704644 [1,0,0,0,0,0|3,0,0]=4 995 B8R0.4 CCCOCCCN[13CH3] 34a_100011217757_200025704644 [1,0,0,0,0,0|3,0,0]=4 996 B8R0.4 CCCOCCCOC 34a_100000210258_100000740836 [1,0,0,0,0,0|3,0,0]=4 997 B8R0.4 CCCOCCCOC 34a_100000740835_100000210303 [1,0,0,0,0,0|3,0,0]=4 998 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [1,0,0,0,0,0|3,0,0]=4 999 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [1,0,0,0,0,0|3,0,0]=4 1000 B8R0.4 CCCOCCNCC 2230a_100015525214_100011215938 [1,0,0,0,0,0|3,0,0]=4 1001 B8R0.4 CCCOCCNCC 2230a_100161115042_100000210202 [1,0,0,0,0,0|3,0,0]=4 1002 B8R0.4 CCCOCCNCC 34a_100161115042_100000210202 [1,0,0,0,0,0|3,0,0]=4 1003 B8R0.4 CCCOCCNCF 34a_100161115042_100015361967 [1,0,0,0,0,0|3,0,0]=4 1004 B8R0.4 CCCOCCOCC 34a_100000210136_100000210303 [1,0,0,0,0,0|3,0,0]=4 1005 B8R0.4 CCCOCCOCC 34a_100000210258_100000210147 [1,0,0,0,0,0|3,0,0]=4 1006 B8R0.4 CCCOCCOCC 34a_100000752267_100000210202 [1,0,0,0,0,0|3,0,0]=4 1007 B8R0.4 CCCOCCOCC 34a_100121572206_100011215938 [1,0,0,0,0,0|3,0,0]=4 1008 B8R0.4 CCCOCCOCC 7a_100000210136_100000210303 [1,0,0,0,0,0|3,0,0]=4 1009 B8R0.4 CCCOCCOCC 7a_100000752267_100000210202 [1,0,0,0,0,0|3,0,0]=4 1010 B8R0.4 CCCOCCOCF 34a_100000752267_100015361967 [1,0,0,0,0,0|3,0,0]=4 1011 B8R0.4 CCCOCCOCF 7a_100000752267_100015361967 [1,0,0,0,0,0|3,0,0]=4 1012 B8R0.4 CCCOCCSCC 34a_100000210258_100000757381 [1,0,0,0,0,0|3,0,0]=4 1013 B8R0.4 CCCOCCSCC 34a_100000212035_100000210303 [1,0,0,0,0,0|3,0,0]=4 1014 B8R0.4 CCCOCCSCC 62a_100000210202_100011215938 [1,0,0,0,0,0|3,0,0]=4 1015 B8R0.4 CCCOCCSCC 62a_100011215938_100000210202 [1,0,0,0,0,0|3,0,0]=4 1016 B8R0.4 CCCOCCSCC 7a_100000212035_100000210303 [1,0,0,0,0,0|3,0,0]=4 1017 B8R0.4 CCCOCCSCF 62a_100011215938_100015361967 [1,0,0,0,0,0|3,0,0]=4 1018 B8R0.4 CCCOCCSCF 62a_100015361967_100011215938 [1,0,0,0,0,0|3,0,0]=4 1019 B8R0.4 CCCSCC#CCO 62a_100000210303_200000047223 [1,0,0,0,0,0|1,0,2]=4 1020 B8R0.4 CCCSCC#CCO 62a_200000047223_100000210303 [1,0,0,0,0,0|1,0,2]=4 1021 B8R0.4 CCCSCCCC#N 62a_100000210303_100000687738 [1,0,0,0,0,0|2,0,1]=4 1022 B8R0.4 CCCSCCCC#N 62a_100000687738_100000210303 [1,0,0,0,0,0|2,0,1]=4 1023 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [1,0,0,0,0,0|1,0,2]=4 1024 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [1,0,0,0,0,0|1,0,2]=4 1025 B8R0.4 CCCSCCCCF 62a_100000210303_100000729493 [1,0,0,0,0,0|2,0,0]=3 1026 B8R0.4 CCCSCCCCF 62a_100000729493_100000210303 [1,0,0,0,0,0|2,0,0]=3 1027 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [1,0,0,0,0,0|1,0,0]=2 1028 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [1,0,0,0,0,0|1,0,0]=2 1029 B8R0.4 CCCSCCCOC 62a_100000210303_100000709357 [1,0,0,0,0,0|3,0,0]=4 1030 B8R0.4 CCCSCCCOC 62a_100000709357_100000210303 [1,0,0,0,0,0|3,0,0]=4 1031 B8R0.4 CCCSCCNCC 2230a_100020603323_100000210202 [1,0,0,0,0,0|3,0,0]=4 1032 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [1,0,0,0,0,0|3,0,0]=4 1033 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [1,0,0,0,0,0|3,0,0]=4 1034 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [1,0,0,0,0,0|3,0,0]=4 1035 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [1,0,0,0,0,0|3,0,0]=4 1036 B8R0.4 CCCSCCOCF 34a_200000230433_100015361967 [1,0,0,0,0,0|3,0,0]=4 1037 B8R0.4 CCCSCCOCF 7a_200000230433_100015361967 [1,0,0,0,0,0|3,0,0]=4 1038 B8R0.4 CCCSCCSCC 62a_100000210303_100000757381 [1,0,0,0,0,0|3,0,0]=4 1039 B8R0.4 CCCSCCSCC 62a_100000757381_100000210303 [1,0,0,0,0,0|3,0,0]=4 1040 B8R0.4 CCNCCCCC#N 2230a_100015525214_100000211819 [1,0,0,0,0,0|2,0,1]=4 1041 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [1,0,0,0,0,0|1,0,2]=4 1042 B8R0.4 CCNCCCCCF 2230a_100015525214_100000729378 [1,0,0,0,0,0|2,0,0]=3 1043 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [1,0,0,0,0,0|1,0,0]=2 1044 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [1,0,0,0,0,0|1,0,0]=2 1045 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [1,0,0,0,0,0|1,0,0]=2 1046 B8R0.4 CCNCCCCOC 2230a_100015525214_100000730899 [1,0,0,0,0,0|3,0,0]=4 1047 B8R0.4 CCNCCCOCC 2230a_100000210961_100000210202 [1,0,0,0,0,0|3,0,0]=4 1048 B8R0.4 CCNCCCOCC 2230a_100015525214_100012232248 [1,0,0,0,0,0|3,0,0]=4 1049 B8R0.4 CCNCCCOCC 34a_100000210961_100000210202 [1,0,0,0,0,0|3,0,0]=4 1050 B8R0.4 CCNCCOCCO 2230a_100000211614_100000210202 [1,0,0,0,0,0|2,0,0]=3 1051 B8R0.4 CCNCCOCCO 2230a_100015525214_100011215305 [1,0,0,0,0,0|2,0,0]=3 1052 B8R0.4 CCNCCOCCO 34a_100000211614_100000210202 [1,0,0,0,0,0|2,0,0]=3 1053 B8R0.4 CCNCCSCCO 2230a_100011219999_100000210202 [1,0,0,0,0,0|2,0,0]=3 1054 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [1,0,0,0,0,0|2,0,0]=3 1055 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [1,0,0,0,0,0|2,0,0]=3 1056 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [1,0,0,0,0,0|2,0,0]=3 1057 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [1,0,0,0,0,0|2,0,0]=3 1058 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [1,0,0,0,0,0|2,0,0]=3 1059 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [1,0,0,0,0,0|2,0,0]=3 1060 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [1,0,0,0,0,0|2,0,0]=3 1061 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [1,0,0,0,0,0|2,0,0]=3 1062 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [1,0,0,0,0,0|1,0,0]=2 1063 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [1,0,0,0,0,0|3,0,0]=4 1064 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [1,0,0,0,0,0|3,0,0]=4 1065 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [1,0,0,0,0,0|3,0,0]=4 1066 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [1,0,0,0,0,0|3,0,0]=4 1067 B8R0.4 CCOCCCNCF 34a_100000210961_100015361967 [1,0,0,0,0,0|3,0,0]=4 1068 B8R0.4 CCOCCCOCC 34a_100000757476_100000210202 [1,0,0,0,0,0|3,0,0]=4 1069 B8R0.4 CCOCCCOCC 34a_100121572206_100012232248 [1,0,0,0,0,0|3,0,0]=4 1070 B8R0.4 CCOCCCOCC 7a_100000757476_100000210202 [1,0,0,0,0,0|3,0,0]=4 1071 B8R0.4 CCOCCCOCF 34a_100000757476_100015361967 [1,0,0,0,0,0|3,0,0]=4 1072 B8R0.4 CCOCCCOCF 7a_100000757476_100015361967 [1,0,0,0,0,0|3,0,0]=4 1073 B8R0.4 CCOCCCSCC 34a_100011216438_100000210202 [1,0,0,0,0,0|3,0,0]=4 1074 B8R0.4 CCOCCCSCC 62a_100000210202_100012232248 [1,0,0,0,0,0|3,0,0]=4 1075 B8R0.4 CCOCCCSCC 62a_100012232248_100000210202 [1,0,0,0,0,0|3,0,0]=4 1076 B8R0.4 CCOCCCSCC 7a_100011216438_100000210202 [1,0,0,0,0,0|3,0,0]=4 1077 B8R0.4 CCOCCCSCF 62a_100012232248_100015361967 [1,0,0,0,0,0|3,0,0]=4 1078 B8R0.4 CCOCCCSCF 62a_100015361967_100012232248 [1,0,0,0,0,0|3,0,0]=4 1079 B8R0.4 CCOCCNCCF 2230a_102516460346_100011217306 [1,0,0,0,0,0|3,0,0]=4 1080 B8R0.4 CCOCCNCCF 34a_100000724931_100000210147 [1,0,0,0,0,0|3,0,0]=4 1081 B8R0.4 CCOCCNCCF 34a_102516460346_100011217306 [1,0,0,0,0,0|3,0,0]=4 1082 B8R0.4 CCOCCNCCO 2230a_100016997473_100011215890 [1,0,0,0,0,0|2,0,0]=3 1083 B8R0.4 CCOCCNCCO 2230a_102516460346_100000211926 [1,0,0,0,0,0|2,0,0]=3 1084 B8R0.4 CCOCCNCCO 34a_100016990907_100000210147 [1,0,0,0,0,0|2,0,0]=3 1085 B8R0.4 CCOCCNCCO 34a_102516460346_100000211926 [1,0,0,0,0,0|2,0,0]=3 1086 B8R0.4 CCOCCOCCBr 34a_100000211926_100000210147 [1,0,0,0,0,0|3,0,0]=4 1087 B8R0.4 CCOCCOCCBr 34a_100000692535_100000210202 [1,0,0,0,0,0|3,0,0]=4 1088 B8R0.4 CCOCCOCCBr 7a_100000692535_100000210202 [1,0,0,0,0,0|3,0,0]=4 1089 B8R0.4 CCOCCOCCCl 34a_100011215305_100000210202 [1,0,0,0,0,0|3,0,0]=4 1090 B8R0.4 CCOCCOCCCl 7a_100011215305_100000210202 [1,0,0,0,0,0|3,0,0]=4 1091 B8R0.4 CCOCCOCCF 34a_100000210136_100011217306 [1,0,0,0,0,0|3,0,0]=4 1092 B8R0.4 CCOCCOCCF 34a_200015357709_100000210202 [1,0,0,0,0,0|3,0,0]=4 1093 B8R0.4 CCOCCOCCF 7a_100000210136_100011217306 [1,0,0,0,0,0|3,0,0]=4 1094 B8R0.4 CCOCCOCCF 7a_200015357709_100000210202 [1,0,0,0,0,0|3,0,0]=4 1095 B8R0.4 CCOCCOCCI 34a_100012149058_100000210202 [1,0,0,0,0,0|3,0,0]=4 1096 B8R0.4 CCOCCOCCI 7a_100012149058_100000210202 [1,0,0,0,0,0|3,0,0]=4 1097 B8R0.4 CCOCCOCCN 34a_100000210304_100000210147 [1,0,0,0,0,0|3,0,0]=4 1098 B8R0.4 CCOCCOCCN 34a_100000211614_100000210202 [1,0,0,0,0,0|3,0,0]=4 1099 B8R0.4 CCOCCOCCO 34a_100000210136_100000211926 [1,0,0,0,0,0|2,0,0]=3 1100 B8R0.4 CCOCCOCCO 34a_100121572206_100000692535 [1,0,0,0,0,0|2,0,0]=3 1101 B8R0.4 CCOCCOCCO 7a_100000210136_100000211926 [1,0,0,0,0,0|2,0,0]=3 1102 B8R0.4 CCOCCSCCF 62a_100000210147_100011217306 [1,0,0,0,0,0|3,0,0]=4 1103 B8R0.4 CCOCCSCCF 62a_100011217306_100011215890 [1,0,0,0,0,0|3,0,0]=4 1104 B8R0.4 CCOCCSCCO 62a_100000210147_100000211926 [1,0,0,0,0,0|2,0,0]=3 1105 B8R0.4 CCOCCSCCO 62a_100000211926_100011215890 [1,0,0,0,0,0|2,0,0]=3 1106 B8R0.4 CCOCSCCCF 62a_100000739092_100011934791 [1,0,0,0,0,0|3,0,0]=4 1107 B8R0.4 CCOCSCCCF 62a_100011934791_100000739092 [1,0,0,0,0,0|3,0,0]=4 1108 B8R0.4 CCOCSCCCO 62a_100000739092_100011215043 [1,0,0,0,0,0|2,0,0]=3 1109 B8R0.4 CCOCSCCCO 62a_100011215043_100000739092 [1,0,0,0,0,0|2,0,0]=3 1110 B8R0.4 CCSCCCCC#N 62a_100000210202_100000211819 [1,0,0,0,0,0|2,0,1]=4 1111 B8R0.4 CCSCCCCC#N 62a_100011219923_100000210202 [1,0,0,0,0,0|2,0,1]=4 1112 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [1,0,0,0,0,0|1,0,2]=4 1113 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [1,0,0,0,0,0|1,0,2]=4 1114 B8R0.4 CCSCCCCCF 62a_100000210202_100000729378 [1,0,0,0,0,0|2,0,0]=3 1115 B8R0.4 CCSCCCCCF 62a_100000729378_100000210202 [1,0,0,0,0,0|2,0,0]=3 1116 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [1,0,0,0,0,0|1,0,0]=2 1117 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [1,0,0,0,0,0|1,0,0]=2 1118 B8R0.4 CCSCCCCOC 62a_100000210202_100000730899 [1,0,0,0,0,0|3,0,0]=4 1119 B8R0.4 CCSCCCCOC 62a_100000730899_100000210202 [1,0,0,0,0,0|3,0,0]=4 1120 B8R0.4 CCSCCCOCF 34a_100011216438_100015361967 [1,0,0,0,0,0|3,0,0]=4 1121 B8R0.4 CCSCCCOCF 7a_100011216438_100015361967 [1,0,0,0,0,0|3,0,0]=4 1122 B8R0.4 CCSCCNCCF 2230a_100000106463_100011217306 [1,0,0,0,0,0|3,0,0]=4 1123 B8R0.4 CCSCCNCCF 34a_100000724931_100000757381 [1,0,0,0,0,0|3,0,0]=4 1124 B8R0.4 CCSCCNCCO 2230a_100000106463_100000211926 [1,0,0,0,0,0|2,0,0]=3 1125 B8R0.4 CCSCCNCCO 2230a_100016997473_100000757381 [1,0,0,0,0,0|2,0,0]=3 1126 B8R0.4 CCSCCNCCO 34a_100016990907_100000757381 [1,0,0,0,0,0|2,0,0]=3 1127 B8R0.4 CCSCCOCCBr 34a_100000211926_100000757381 [1,0,0,0,0,0|3,0,0]=4 1128 B8R0.4 CCSCCOCCF 34a_100000212035_100011217306 [1,0,0,0,0,0|3,0,0]=4 1129 B8R0.4 CCSCCOCCF 7a_100000212035_100011217306 [1,0,0,0,0,0|3,0,0]=4 1130 B8R0.4 CCSCCOCCN 34a_100000210304_100000757381 [1,0,0,0,0,0|3,0,0]=4 1131 B8R0.4 CCSCCOCCO 34a_100000212035_100000211926 [1,0,0,0,0,0|2,0,0]=3 1132 B8R0.4 CCSCCOCCO 62a_100000210202_100011215305 [1,0,0,0,0,0|2,0,0]=3 1133 B8R0.4 CCSCCOCCO 62a_100011215305_100000210202 [1,0,0,0,0,0|2,0,0]=3 1134 B8R0.4 CCSCCOCCO 7a_100000212035_100000211926 [1,0,0,0,0,0|2,0,0]=3 1135 B8R0.4 CCSCCSCCF 62a_100000757381_100011217306 [1,0,0,0,0,0|3,0,0]=4 1136 B8R0.4 CCSCCSCCF 62a_100011217306_100000757381 [1,0,0,0,0,0|3,0,0]=4 1137 B8R0.4 CCSCCSCCO 62a_100000211926_100000757381 [1,0,0,0,0,0|2,0,0]=3 1138 B8R0.4 CCSCCSCCO 62a_100000757381_100000211926 [1,0,0,0,0,0|2,0,0]=3 1139 B8R0.4 CNCCCCCC#N 2230a_106832991635_100009813376 [1,0,0,0,0,0|2,0,1]=4 1140 B8R0.4 CNCCCCCC#N 7a_106832991635_100009813376 [1,0,0,0,0,0|2,0,1]=4 1141 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [1,0,0,0,0,0|1,0,2]=4 1142 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [1,0,0,0,0,0|1,0,2]=4 1143 B8R0.4 CNCCCCCCF 2230a_106832991635_100015922095 [1,0,0,0,0,0|2,0,0]=3 1144 B8R0.4 CNCCCCCCF 34a_100102657272_100015922095 [1,0,0,0,0,0|2,0,0]=3 1145 B8R0.4 CNCCCCCCF 7a_106832991635_100015922095 [1,0,0,0,0,0|2,0,0]=3 1146 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [1,0,0,0,0,0|1,0,0]=2 1147 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [1,0,0,0,0,0|1,0,0]=2 1148 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [1,0,0,0,0,0|1,0,0]=2 1149 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [1,0,0,0,0,0|1,0,0]=2 1150 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [1,0,0,0,0,0|1,0,0]=2 1151 B8R0.4 CNCCCCCOC 2230a_100000747528_200000210301 [1,0,0,0,0,0|3,0,0]=4 1152 B8R0.4 CNCCCCCOC 34a_100000722520_200000210301 [1,0,0,0,0,0|3,0,0]=4 1153 B8R0.4 CNCCCCCOC 34a_100000747528_200000210301 [1,0,0,0,0,0|3,0,0]=4 1154 B8R0.4 CNCCCCCO[13CH3] 34a_100000722520_200025704644 [1,0,0,0,0,0|3,0,0]=4 1155 B8R0.4 CNCCCOCCF 34a_100000213112_100011217306 [1,0,0,0,0,0|3,0,0]=4 1156 B8R0.4 CNCCCOCCO 34a_100000213112_100000211926 [1,0,0,0,0,0|2,0,0]=3 1157 B8R0.4 COCCCCCCBr 34a_100011215345_200000210301 [1,0,0,0,0,0|2,0,0]=3 1158 B8R0.4 COCCCCCCBr 7a_100011215345_200000210301 [1,0,0,0,0,0|2,0,0]=3 1159 B8R0.4 COCCCCCCCl 34a_100000766143_200000210301 [1,0,0,0,0,0|2,0,0]=3 1160 B8R0.4 COCCCCCCCl 7a_100000766143_200000210301 [1,0,0,0,0,0|2,0,0]=3 1161 B8R0.4 COCCCCCCF 34a_100000732779_200000210301 [1,0,0,0,0,0|2,0,0]=3 1162 B8R0.4 COCCCCCCF 34a_100138415774_100015922095 [1,0,0,0,0,0|2,0,0]=3 1163 B8R0.4 COCCCCCCF 7a_100000732779_200000210301 [1,0,0,0,0,0|2,0,0]=3 1164 B8R0.4 COCCCCCCN 34a_100000686447_200000210301 [1,0,0,0,0,0|2,0,0]=3 1165 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [1,0,0,0,0,0|1,0,0]=2 1166 B8R0.4 COCCCCCN[13CH3] 2230a_100000747528_200025704644 [1,0,0,0,0,0|3,0,0]=4 1167 B8R0.4 COCCCCCN[13CH3] 34a_100000747528_200025704644 [1,0,0,0,0,0|3,0,0]=4 1168 B8R0.4 COCCCCOCF 34a_100000740925_100015361967 [1,0,0,0,0,0|3,0,0]=4 1169 B8R0.4 COCCCCSCF 62a_100000730899_100015361967 [1,0,0,0,0,0|3,0,0]=4 1170 B8R0.4 COCCCCSCF 62a_100015361967_100000730899 [1,0,0,0,0,0|3,0,0]=4 1171 B8R0.4 COCCCNCCF 34a_100000724931_100000740836 [1,0,0,0,0,0|3,0,0]=4 1172 B8R0.4 COCCCNCCF 34a_100150723488_100011217306 [1,0,0,0,0,0|3,0,0]=4 1173 B8R0.4 COCCCNCCO 2230a_100016997473_100000740836 [1,0,0,0,0,0|2,0,0]=3 1174 B8R0.4 COCCCNCCO 34a_100016990907_100000740836 [1,0,0,0,0,0|2,0,0]=3 1175 B8R0.4 COCCCNCCO 34a_100150723488_100000211926 [1,0,0,0,0,0|2,0,0]=3 1176 B8R0.4 COCCCOCCBr 34a_100000211926_100000740836 [1,0,0,0,0,0|3,0,0]=4 1177 B8R0.4 COCCCOCCF 34a_100000740835_100011217306 [1,0,0,0,0,0|3,0,0]=4 1178 B8R0.4 COCCCOCCN 34a_100000210304_100000740836 [1,0,0,0,0,0|3,0,0]=4 1179 B8R0.4 COCCCOCCO 34a_100000740835_100000211926 [1,0,0,0,0,0|2,0,0]=3 1180 B8R0.4 COCCCSCCF 62a_100000709357_100011217306 [1,0,0,0,0,0|3,0,0]=4 1181 B8R0.4 COCCCSCCF 62a_100011217306_100000709357 [1,0,0,0,0,0|3,0,0]=4 1182 B8R0.4 COCCCSCCO 62a_100000211926_100000709357 [1,0,0,0,0,0|2,0,0]=3 1183 B8R0.4 COCCCSCCO 62a_100000709357_100000211926 [1,0,0,0,0,0|2,0,0]=3 1184 B8R0.4 COCCNCCCF 2230a_100000209980_100011934791 [1,0,0,0,0,0|3,0,0]=4 1185 B8R0.4 COCCNCCCF 2230a_100015189416_100011201679 [1,0,0,0,0,0|3,0,0]=4 1186 B8R0.4 COCCNCCCF 34a_100015189416_100011201679 [1,0,0,0,0,0|3,0,0]=4 1187 B8R0.4 COCCNCCCO 2230a_100000209980_100000230001 [1,0,0,0,0,0|2,0,0]=3 1188 B8R0.4 COCCOCCCBr 34a_100011217188_100011201679 [1,0,0,0,0,0|3,0,0]=4 1189 B8R0.4 COCCOCCCCl 34a_100000230001_100011201679 [1,0,0,0,0,0|3,0,0]=4 1190 B8R0.4 COCCOCCCF 34a_100000210237_100011934791 [1,0,0,0,0,0|3,0,0]=4 1191 B8R0.4 COCCOCCCF 34a_100000759539_100011201679 [1,0,0,0,0,0|3,0,0]=4 1192 B8R0.4 COCCOCCCN 34a_100000182051_100011201679 [1,0,0,0,0,0|3,0,0]=4 1193 B8R0.4 COCCOCCCO 34a_100000210237_100000230001 [1,0,0,0,0,0|2,0,0]=3 1194 B8R0.4 COCCSCCCF 62a_100000233755_100011934791 [1,0,0,0,0,0|3,0,0]=4 1195 B8R0.4 COCCSCCCF 62a_100011934791_100000233755 [1,0,0,0,0,0|3,0,0]=4 1196 B8R0.4 COCCSCCCO 62a_100000233755_100011215043 [1,0,0,0,0,0|2,0,0]=3 1197 B8R0.4 COCCSCCCO 62a_100011215043_100000233755 [1,0,0,0,0,0|2,0,0]=3 1198 B8R0.4 COCNCCCCO 2230a_100000750430_100000766300 [1,0,0,0,0,0|2,0,0]=3 1199 B8R0.4 COCSCCCCF 62a_100000729493_100000766300 [1,0,0,0,0,0|3,0,0]=4 1200 B8R0.4 COCSCCCCF 62a_100000766300_100000729493 [1,0,0,0,0,0|3,0,0]=4 1201 B8R0.4 COCSCCCCO 62a_100000210776_100000766300 [1,0,0,0,0,0|2,0,0]=3 1202 B8R0.4 COCSCCCCO 62a_100000766300_100000210776 [1,0,0,0,0,0|2,0,0]=3 1203 B8R0.4 CSCCCCCC#N 62a_100009813376_200000210301 [1,0,0,0,0,0|2,0,1]=4 1204 B8R0.4 CSCCCCCC#N 62a_200000210301_100009813376 [1,0,0,0,0,0|2,0,1]=4 1205 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [1,0,0,0,0,0|1,0,2]=4 1206 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [1,0,0,0,0,0|1,0,2]=4 1207 B8R0.4 CSCCCCCCF 62a_100015922095_200000210301 [1,0,0,0,0,0|2,0,0]=3 1208 B8R0.4 CSCCCCCCF 62a_200000210301_100015922095 [1,0,0,0,0,0|2,0,0]=3 1209 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [1,0,0,0,0,0|1,0,0]=2 1210 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [1,0,0,0,0,0|1,0,0]=2 1211 B8R0.4 CSCCCCOCF 34a_100011217163_100015361967 [1,0,0,0,0,0|3,0,0]=4 1212 B8R0.4 CSCCCCOCF 7a_100011217163_100015361967 [1,0,0,0,0,0|3,0,0]=4 1213 B8R0.4 CSCCCNCCF 2230a_100000749238_100011217306 [1,0,0,0,0,0|3,0,0]=4 1214 B8R0.4 CSCCCNCCO 2230a_100000749238_100000211926 [1,0,0,0,0,0|2,0,0]=3 1215 B8R0.4 CSCCCOCCF 34a_100000690336_100011217306 [1,0,0,0,0,0|3,0,0]=4 1216 B8R0.4 CSCCCOCCF 7a_100000690336_100011217306 [1,0,0,0,0,0|3,0,0]=4 1217 B8R0.4 CSCCCOCCO 34a_100000690336_100000211926 [1,0,0,0,0,0|2,0,0]=3 1218 B8R0.4 CSCCCOCCO 7a_100000690336_100000211926 [1,0,0,0,0,0|2,0,0]=3 1219 B8R0.4 CSCCNCCCF 2230a_100015189416_100000751147 [1,0,0,0,0,0|3,0,0]=4 1220 B8R0.4 CSCCNCCCF 2230a_100020590264_100011934791 [1,0,0,0,0,0|3,0,0]=4 1221 B8R0.4 CSCCNCCCF 34a_100015189416_100000212216 [1,0,0,0,0,0|3,0,0]=4 1222 B8R0.4 CSCCNCCCO 2230a_100020590264_100000230001 [1,0,0,0,0,0|2,0,0]=3 1223 B8R0.4 CSCCOCCCBr 34a_100011217188_100000212216 [1,0,0,0,0,0|3,0,0]=4 1224 B8R0.4 CSCCOCCCCl 34a_100000230001_100000212216 [1,0,0,0,0,0|3,0,0]=4 1225 B8R0.4 CSCCOCCCF 34a_100000230434_100011934791 [1,0,0,0,0,0|3,0,0]=4 1226 B8R0.4 CSCCOCCCF 34a_100000759539_100000212216 [1,0,0,0,0,0|3,0,0]=4 1227 B8R0.4 CSCCOCCCF 7a_100000230434_100011934791 [1,0,0,0,0,0|3,0,0]=4 1228 B8R0.4 CSCCOCCCN 34a_100000182051_100000212216 [1,0,0,0,0,0|3,0,0]=4 1229 B8R0.4 CSCCOCCCO 34a_100000230434_100000230001 [1,0,0,0,0,0|2,0,0]=3 1230 B8R0.4 CSCCOCCCO 7a_100000230434_100011215043 [1,0,0,0,0,0|2,0,0]=3 1231 B8R0.4 CSCCSCCCF 62a_100000212216_100011934791 [1,0,0,0,0,0|3,0,0]=4 1232 B8R0.4 CSCCSCCCF 62a_100011934791_100000751147 [1,0,0,0,0,0|3,0,0]=4 1233 B8R0.4 CSCCSCCCO 62a_100000212216_100011215043 [1,0,0,0,0,0|2,0,0]=3 1234 B8R0.4 CSCCSCCCO 62a_100011215043_100000751147 [1,0,0,0,0,0|2,0,0]=3 1235 B8R0.4 CSCNCCCCO 2230a_100000750430_100011218213 [1,0,0,0,0,0|2,0,0]=3 1236 B8R0.4 CSCNCCCCO 34a_100000750430_100011218213 [1,0,0,0,0,0|2,0,0]=3 1237 B8R0.4 CSCOCCCCBr 34a_100011216708_100011218213 [1,0,0,0,0,0|3,0,0]=4 1238 B8R0.4 CSCOCCCCCl 34a_100000210776_100011218213 [1,0,0,0,0,0|3,0,0]=4 1239 B8R0.4 CSCOCCCCF 34a_100011995726_100011218213 [1,0,0,0,0,0|3,0,0]=4 1240 B8R0.4 CSCOCCCCI 34a_200012148704_100011218213 [1,0,0,0,0,0|3,0,0]=4 1241 B8R0.4 CSCOCCCCN 34a_100000750430_100011218213 [1,0,0,0,0,0|3,0,0]=4 1242 B8R0.4 CSCSCCCCF 62a_100000729493_100011218213 [1,0,0,0,0,0|3,0,0]=4 1243 B8R0.4 CSCSCCCCF 62a_100011218213_100000729493 [1,0,0,0,0,0|3,0,0]=4 1244 B8R0.4 CSCSCCCCO 62a_100000210776_100011218213 [1,0,0,0,0,0|2,0,0]=3 1245 B8R0.4 CSCSCCCCO 62a_100011218213_100000210776 [1,0,0,0,0,0|2,0,0]=3 1246 B8R0.4 FCCCCCSCF 62a_100000729378_100015361967 [1,0,0,0,0,0|3,0,0]=4 1247 B8R0.4 FCCCCCSCF 62a_100015361967_100000729378 [1,0,0,0,0,0|3,0,0]=4 1248 B8R0.4 FCCCCNCCF 34a_100000724931_100000729493 [1,0,0,0,0,0|3,0,0]=4 1249 B8R0.4 FCCCCOCCBr 34a_100000211926_100000729493 [1,0,0,0,0,0|3,0,0]=4 1250 B8R0.4 FCCCCOCCF 34a_100011995726_100011217306 [1,0,0,0,0,0|3,0,0]=4 1251 B8R0.4 FCCCCOCCF 7a_100011995726_100011217306 [1,0,0,0,0,0|3,0,0]=4 1252 B8R0.4 FCCCCSCCF 62a_100000729493_100011217306 [1,0,0,0,0,0|3,0,0]=4 1253 B8R0.4 FCCCCSCCF 62a_100011217306_100000729493 [1,0,0,0,0,0|3,0,0]=4 1254 B8R0.4 FCCCNCCCF 2230a_100015189416_100011934791 [1,0,0,0,0,0|3,0,0]=4 1255 B8R0.4 FCCCNCCCF 34a_100015189416_100011934791 [1,0,0,0,0,0|3,0,0]=4 1256 B8R0.4 FCCCOCCCBr 34a_100011217188_100011934791 [1,0,0,0,0,0|3,0,0]=4 1257 B8R0.4 FCCCOCCCCl 34a_100000230001_100011934791 [1,0,0,0,0,0|3,0,0]=4 1258 B8R0.4 FCCCOCCCF 34a_100000759539_100011934791 [1,0,0,0,0,0|3,0,0]=4 1259 B8R0.4 FCCCSCCCF 62a_100011934791_100011934791 [1,0,0,0,0,0|3,0,0]=4 1260 B8R0.4 FCCOCCCCBr 34a_100011216708_100011217306 [1,0,0,0,0,0|3,0,0]=4 1261 B8R0.4 FCCOCCCCCl 34a_100000210776_100011217306 [1,0,0,0,0,0|3,0,0]=4 1262 B8R0.4 FCCOCCCCCl 7a_100000210776_100011217306 [1,0,0,0,0,0|3,0,0]=4 1263 B8R0.4 FCCOCCCCI 34a_200012148704_100011217306 [1,0,0,0,0,0|3,0,0]=4 1264 B8R0.4 FCOCCCCCBr 34a_100000746331_100015361967 [1,0,0,0,0,0|3,0,0]=4 1265 B8R0.4 FCOCCCCCBr 7a_100000746331_100015361967 [1,0,0,0,0,0|3,0,0]=4 1266 B8R0.4 FCOCCCCCCl 34a_100000746330_100015361967 [1,0,0,0,0,0|3,0,0]=4 1267 B8R0.4 FCOCCCCCCl 7a_100000746330_100015361967 [1,0,0,0,0,0|3,0,0]=4 1268 B8R0.4 FCOCCCCCI 34a_200012148887_100015361967 [1,0,0,0,0,0|3,0,0]=4 1269 B8R0.4 FCOCCCCCI 7a_200012148887_100015361967 [1,0,0,0,0,0|3,0,0]=4 1270 B8R0.4 N#CCCCNCCO 2230a_100016997473_100000687738 [1,0,0,0,0,0|2,0,1]=4 1271 B8R0.4 N#CCCCSCCO 62a_100000211926_100000687738 [1,0,0,0,0,0|2,0,1]=4 1272 B8R0.4 N#CCCCSCCO 62a_100000687738_100000211926 [1,0,0,0,0,0|2,0,1]=4 1273 B8R0.4 N#CCCSCCCO 62a_100011215043_100011215226 [1,0,0,0,0,0|2,0,1]=4 1274 B8R0.4 N#CCCSCCCO 62a_100011215226_100011215043 [1,0,0,0,0,0|2,0,1]=4 1275 B8R0.4 N#CCNCCCCO 2230a_100000750430_100011215382 [1,0,0,0,0,0|2,0,1]=4 1276 B8R0.4 N#CCSCCCCO 62a_100000210776_100011215382 [1,0,0,0,0,0|2,0,1]=4 1277 B8R0.4 N#CCSCCCCO 62a_100011215382_100000210776 [1,0,0,0,0,0|2,0,1]=4 1278 B8R0.4 NCCCCCOCF 34a_100000762737_100015361967 [1,0,0,0,0,0|3,0,0]=4 1279 B8R0.4 NCCCCOCCF 34a_100000750430_100011217306 [1,0,0,0,0,0|3,0,0]=4 1280 B8R0.4 NCCCCOCCO 34a_100000750430_100000211926 [1,0,0,0,0,0|2,0,0]=3 1281 B8R0.4 NCCCOCCCF 34a_100000182051_100011934791 [1,0,0,0,0,0|3,0,0]=4 1282 B8R0.4 NCCCOCCCO 34a_100000182051_100000230001 [1,0,0,0,0,0|2,0,0]=3 1283 B8R0.4 NCCOCCCCF 34a_100000210304_100000729493 [1,0,0,0,0,0|3,0,0]=4 1284 B8R0.4 NCCOCCCCO 34a_100000210304_100011216708 [1,0,0,0,0,0|2,0,0]=3 1285 B8R0.4 NOCCOCCCO 34a_100000700252_100000230001 [1,0,0,0,0,0|3,0,0]=4 1286 B8R0.4 O=CCCCNCCO 2230a_100016997473_200011292268 [1,0,0,0,0,0|2,0,1]=4 1287 B8R0.4 O=CCCCSCCO 62a_100000211926_200011292268 [1,0,0,0,0,0|2,0,1]=4 1288 B8R0.4 O=CCCCSCCO 62a_200011292268_100000211926 [1,0,0,0,0,0|2,0,1]=4 1289 B8R0.4 O=CCNCCCCO 2230a_100000750430_200015260668 [1,0,0,0,0,0|2,0,1]=4 1290 B8R0.4 O=CCNCCCCO 34a_100000750430_200009817547 [1,0,0,0,0,0|2,0,1]=4 1291 B8R0.4 O=CCSCCCCO 62a_100000210776_200015260668 [1,0,0,0,0,0|2,0,1]=4 1292 B8R0.4 O=CCSCCCCO 62a_200015260668_100000210776 [1,0,0,0,0,0|2,0,1]=4 1293 B8R0.4 OCCCCCNCF 34a_100000762737_100015361967 [1,0,0,0,0,0|2,0,0]=3 1294 B8R0.4 OCCCCCSCF 62a_100000746330_100015361967 [1,0,0,0,0,0|2,0,0]=3 1295 B8R0.4 OCCCCCSCF 62a_100015361967_100000746330 [1,0,0,0,0,0|2,0,0]=3 1296 B8R0.4 OCCCCNCCF 2230a_100000750430_100011217306 [1,0,0,0,0,0|2,0,0]=3 1297 B8R0.4 OCCCCNCCF 34a_100000724931_100011216708 [1,0,0,0,0,0|2,0,0]=3 1298 B8R0.4 OCCCCNCCF 34a_100000750430_100011217306 [1,0,0,0,0,0|2,0,0]=3 1299 B8R0.4 OCCCCNCCO 2230a_100000750430_100000211926 [1,0,0,0,0,0|2,0,0]=3 1300 B8R0.4 OCCCCNCCO 2230a_100016997473_100000210776 [1,0,0,0,0,0|2,0,0]=3 1301 B8R0.4 OCCCCNCCO 34a_100000750430_100000211926 [1,0,0,0,0,0|2,0,0]=3 1302 B8R0.4 OCCCCNCCO 34a_100016990907_100011216708 [1,0,0,0,0,0|2,0,0]=3 1303 B8R0.4 OCCCCOCCBr 34a_100000211926_100011216708 [1,0,0,0,0,0|2,0,0]=3 1304 B8R0.4 OCCCCSCCF 62a_100000210776_100011217306 [1,0,0,0,0,0|2,0,0]=3 1305 B8R0.4 OCCCCSCCF 62a_100011217306_100000210776 [1,0,0,0,0,0|2,0,0]=3 1306 B8R0.4 OCCCCSCCO 62a_100000210776_100000211926 [1,0,0,0,0,0|2,0,0]=3 1307 B8R0.4 OCCCCSCCO 62a_100000211926_100000210776 [1,0,0,0,0,0|2,0,0]=3 1308 B8R0.4 OCCCNCCCF 2230a_100015189416_100000230001 [1,0,0,0,0,0|2,0,0]=3 1309 B8R0.4 OCCCNCCCF 34a_100015189416_100000230001 [1,0,0,0,0,0|2,0,0]=3 1310 B8R0.4 OCCCOCCCBr 34a_100011217188_100000230001 [1,0,0,0,0,0|2,0,0]=3 1311 B8R0.4 OCCCOCCCCl 34a_100000230001_100000230001 [1,0,0,0,0,0|2,0,0]=3 1312 B8R0.4 OCCCOCCCF 34a_100000759539_100000230001 [1,0,0,0,0,0|2,0,0]=3 1313 B8R0.4 OCCCSCCCF 62a_100011215043_100011934791 [1,0,0,0,0,0|2,0,0]=3 1314 B8R0.4 OCCCSCCCF 62a_100011934791_100011215043 [1,0,0,0,0,0|2,0,0]=3 1315 B8R0.4 OCCCSCCCO 62a_100011215043_100011215043 [1,0,0,0,0,0|2,0,0]=3 1316 B8R0.4 OCCNCCCCF 2230a_100016997473_100000729493 [1,0,0,0,0,0|2,0,0]=3 1317 B8R0.4 OCCNCCCCF 34a_100016990907_100000729493 [1,0,0,0,0,0|2,0,0]=3 1318 B8R0.4 OCCOCCCCBr 34a_100011216708_100000211926 [1,0,0,0,0,0|2,0,0]=3 1319 B8R0.4 OCCOCCCCCl 34a_100000210776_100000211926 [1,0,0,0,0,0|2,0,0]=3 1320 B8R0.4 OCCOCCCCCl 7a_100000210776_100000211926 [1,0,0,0,0,0|2,0,0]=3 1321 B8R0.4 OCCOCCCCF 34a_100011995726_100000211926 [1,0,0,0,0,0|2,0,0]=3 1322 B8R0.4 OCCOCCCCF 7a_100011995726_100000211926 [1,0,0,0,0,0|2,0,0]=3 1323 B8R0.4 OCCOCCCCI 34a_200012148704_100000211926 [1,0,0,0,0,0|2,0,0]=3 1324 B8R0.4 OCCOCCNCF 34a_100000211614_100015361967 [1,0,0,0,0,0|3,0,0]=4 1325 B8R0.4 OCCOCCSCF 62a_100011215305_100015361967 [1,0,0,0,0,0|3,0,0]=4 1326 B8R0.4 OCCOCCSCF 62a_100015361967_100011215305 [1,0,0,0,0,0|3,0,0]=4 1327 B8R0.4 OCCSCCCCF 62a_100000211926_100000729493 [1,0,0,0,0,0|2,0,0]=3 1328 B8R0.4 OCCSCCCCF 62a_100000729493_100000211926 [1,0,0,0,0,0|2,0,0]=3 1329 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [1,0,0,0,0,0|1,0,0]=2 1330 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [1,0,0,0,0,0|1,0,0]=2 1331 B8R0.4 [13CH3]OCCCCCCBr 34a_100011215345_200025704644 [1,0,0,0,0,0|2,0,0]=3 1332 B8R0.4 [13CH3]OCCCCCCBr 7a_100011215345_200025704644 [1,0,0,0,0,0|2,0,0]=3 1333 B8R0.4 [13CH3]OCCCCCCCl 34a_100000766143_200025704644 [1,0,0,0,0,0|2,0,0]=3 1334 B8R0.4 [13CH3]OCCCCCCCl 7a_100000766143_200025704644 [1,0,0,0,0,0|2,0,0]=3 1335 B8R0.4 [13CH3]OCCCCCCF 34a_100000732779_200025704644 [1,0,0,0,0,0|2,0,0]=3 1336 B8R0.4 [13CH3]OCCCCCCF 7a_100000732779_200025704644 [1,0,0,0,0,0|2,0,0]=3 1337 B8R0.4 [13CH3]OCCCCCCN 34a_100000686447_200025704644 [1,0,0,0,0,0|2,0,0]=3 1338 B8R0.4 [13CH3]SCCCCCC#N 62a_100009813376_200025704644 [1,0,0,0,0,0|2,0,1]=4 1339 B8R0.4 [13CH3]SCCCCCC#N 62a_200025704644_100009813376 [1,0,0,0,0,0|2,0,1]=4 1340 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [1,0,0,0,0,0|1,0,2]=4 1341 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [1,0,0,0,0,0|1,0,2]=4 1342 B8R0.4 [13CH3]SCCCCCCF 62a_100015922095_200025704644 [1,0,0,0,0,0|2,0,0]=3 1343 B8R0.4 [13CH3]SCCCCCCF 62a_200025704644_100015922095 [1,0,0,0,0,0|2,0,0]=3 1344 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [1,0,0,0,0,0|1,0,0]=2 1345 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [1,0,0,0,0,0|1,0,0]=2 1346 B8R0.6 C#CCNCC(O)CO 34a_100000212058_100011219619 [1,0,0,0,0,0|1,0,2]=4 1347 B8R0.6 C#CCNC[C@@H](O)CO 34a_100000212058_100009815848 [1,0,0,0,0,0|1,0,2]=4 1348 B8R0.6 C#CCNC[C@H](O)CO 2230a_100020644852_100000038162 [1,0,0,0,0,0|1,0,2]=4 1349 B8R0.6 C#CCOCC(O)CO 34a_100000210247_100011219619 [1,0,0,0,0,0|1,0,2]=4 1350 B8R0.6 C#CCOC[C@@H](O)CO 34a_100000210247_100009815848 [1,0,0,0,0,0|1,0,2]=4 1351 B8R0.6 C#CCSCC(O)CO 62a_100000038162_100011219619 [1,0,0,0,0,0|1,0,2]=4 1352 B8R0.6 C#CCSC[C@@H](O)CO 62a_100000038162_100009815848 [1,0,0,0,0,0|1,0,2]=4 1353 B8R0.6 C=CC(O)COCCC 34a_100000210258_100000730141 [1,0,0,0,0,0|2,0,1]=4 1354 B8R0.6 C=CC(O)CSCCC 62a_100000210303_100000730141 [1,0,0,0,0,0|2,0,1]=4 1355 B8R0.6 C=CC(O)CSCCC 62a_100000730141_100000210303 [1,0,0,0,0,0|2,0,1]=4 1356 B8R0.6 C=CCNCC(O)CO 2230a_100020586998_100011219619 [1,0,0,0,0,0|1,0,2]=4 1357 B8R0.6 C=CCNC[C@@H](O)CO 2230a_100020586998_100009815848 [1,0,0,0,0,0|1,0,2]=4 1358 B8R0.6 C=CCNC[C@H](O)CO 2230a_100020644852_100000210623 [1,0,0,0,0,0|1,0,2]=4 1359 B8R0.6 C=CCOCC(O)CO 34a_200000210373_100011219619 [1,0,0,0,0,0|1,0,2]=4 1360 B8R0.6 C=CCOC[C@@H](O)CO 34a_200000210373_100009815848 [1,0,0,0,0,0|1,0,2]=4 1361 B8R0.6 C=CCSCC(O)CO 62a_100000210623_100011219619 [1,0,0,0,0,0|1,0,2]=4 1362 B8R0.6 C=CCSCC(O)CO 62a_100011219619_100000210623 [1,0,0,0,0,0|1,0,2]=4 1363 B8R0.6 C=CCSC[C@@H](O)CO 62a_100000210623_100009815848 [1,0,0,0,0,0|1,0,2]=4 1364 B8R0.6 C=CCSC[C@@H](O)CO 62a_100009815848_100000210623 [1,0,0,0,0,0|1,0,2]=4 1365 B8R0.6 CC(CO)CCNCF 34a_106354213184_100015361967 [1,0,0,0,0,0|3,0,0]=4 1366 B8R0.6 CC(CO)CNCCF 34a_100000744482_100011217306 [1,0,0,0,0,0|3,0,0]=4 1367 B8R0.6 CC(CO)CNCCO 34a_100000744482_100000211926 [1,0,0,0,0,0|3,0,0]=4 1368 B8R0.6 CC(CO)NCCCF 2230a_100015189416_100012180447 [1,0,0,0,0,0|3,0,0]=4 1369 B8R0.6 CC(CO)NCCCF 34a_100015189416_100012180447 [1,0,0,0,0,0|3,0,0]=4 1370 B8R0.6 CC(CO)OCCCBr 34a_100011217188_100012180447 [1,0,0,0,0,0|3,0,0]=4 1371 B8R0.6 CC(CO)OCCCCl 34a_100000230001_100012180447 [1,0,0,0,0,0|3,0,0]=4 1372 B8R0.6 CC(CO)OCCCF 34a_100000759539_100012180447 [1,0,0,0,0,0|3,0,0]=4 1373 B8R0.6 CC(CO)OCCCN 34a_100000182051_100012180447 [1,0,0,0,0,0|3,0,0]=4 1374 B8R0.6 CC(CO)SCCCF 62a_100012180447_100011934791 [1,0,0,0,0,0|3,0,0]=4 1375 B8R0.6 CC(CO)SCCCO 62a_100012180447_100011215043 [1,0,0,0,0,0|3,0,0]=4 1376 B8R0.6 CCC(C)CCCOC 7a_100011216074_200000210301 [1,0,0,0,0,0|3,0,0]=4 1377 B8R0.6 CCC(C)CCCO[13CH3] 7a_100011216074_200025704644 [1,0,0,0,0,0|3,0,0]=4 1378 B8R0.6 CCC(O)CNCCF 2230a_100011218483_100011217306 [1,0,0,0,0,0|3,0,0]=4 1379 B8R0.6 CCC(O)CNCCF 34a_100000724931_100011218378 [1,0,0,0,0,0|3,0,0]=4 1380 B8R0.6 CCC(O)CNCCO 2230a_100011218483_100000211926 [1,0,0,0,0,0|3,0,0]=4 1381 B8R0.6 CCC(O)CNCCO 2230a_100016997473_100011218378 [1,0,0,0,0,0|3,0,0]=4 1382 B8R0.6 CCC(O)CNCCO 34a_100016990907_100011218378 [1,0,0,0,0,0|3,0,0]=4 1383 B8R0.6 CCC(O)CNCOC 2230a_100011218483_100000766300 [1,0,0,0,0,0|3,0,0]=4 1384 B8R0.6 CCC(O)CNCSC 2230a_100011218483_100011218213 [1,0,0,0,0,0|3,0,0]=4 1385 B8R0.6 CCC(O)COCCBr 34a_100000211926_100011218378 [1,0,0,0,0,0|3,0,0]=4 1386 B8R0.6 CCC(O)COCCN 34a_100000210304_100011218378 [1,0,0,0,0,0|3,0,0]=4 1387 B8R0.6 CCC(O)CSCCF 62a_100011217306_100011218378 [1,0,0,0,0,0|3,0,0]=4 1388 B8R0.6 CCC(O)CSCCF 62a_100011218378_100011217306 [1,0,0,0,0,0|3,0,0]=4 1389 B8R0.6 CCC(O)CSCCO 62a_100000211926_100011218378 [1,0,0,0,0,0|3,0,0]=4 1390 B8R0.6 CCC(O)CSCCO 62a_100011218378_100000211926 [1,0,0,0,0,0|3,0,0]=4 1391 B8R0.6 CCC(O)CSCOC 62a_100000766300_100011218378 [1,0,0,0,0,0|3,0,0]=4 1392 B8R0.6 CCC(O)CSCOC 62a_100011218378_100000766300 [1,0,0,0,0,0|3,0,0]=4 1393 B8R0.6 CCC(O)CSCSC 62a_100011218213_100011218378 [1,0,0,0,0,0|3,0,0]=4 1394 B8R0.6 CCC(O)CSCSC 62a_100011218378_100011218213 [1,0,0,0,0,0|3,0,0]=4 1395 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [1,0,0,0,0,0|1,0,2]=4 1396 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [1,0,0,0,0,0|1,0,2]=4 1397 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [1,0,0,0,0,0|1,0,2]=4 1398 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [1,0,0,0,0,0|0,0,2]=3 1399 B8R0.6 CCCCCC(C)NC 2230a_100000211957_200000210301 [1,0,0,0,0,0|3,0,0]=4 1400 B8R0.6 CCCCCC(C)NC 2230a_106832991635_200011218191 [1,0,0,0,0,0|3,0,0]=4 1401 B8R0.6 CCCCCC(C)NC 270004a_106832991635_100000211708 [1,0,0,0,0,0|3,0,0]=4 1402 B8R0.6 CCCCCC(C)NC 34a_100102657272_200011218191 [1,0,0,0,0,0|3,0,0]=4 1403 B8R0.6 CCCCCC(C)NC 7a_106832991635_200011218191 [1,0,0,0,0,0|3,0,0]=4 1404 B8R0.6 CCCCCC(C)N[13CH3] 2230a_100000211957_200025704644 [1,0,0,0,0,0|3,0,0]=4 1405 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [1,0,0,0,0,0|3,0,0]=4 1406 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [1,0,0,0,0,0|3,0,0]=4 1407 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [1,0,0,0,0,0|3,0,0]=4 1408 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [1,0,0,0,0,0|3,0,0]=4 1409 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [1,0,0,0,0,0|3,0,0]=4 1410 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [1,0,0,0,0,0|3,0,0]=4 1411 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [1,0,0,0,0,0|3,0,0]=4 1412 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [1,0,0,0,0,0|3,0,0]=4 1413 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [1,0,0,0,0,0|3,0,0]=4 1414 B8R0.6 CCCCCN(C)CC 2230a_100000223495_100000210202 [1,0,0,0,0,0|3,0,0]=4 1415 B8R0.6 CCCCCN(C)CC 2230a_100000225621_100000210326 [1,0,0,0,0,0|3,0,0]=4 1416 B8R0.6 CCCCCN(C)CC 269982a_100000223495_100000204670 [1,0,0,0,0,0|3,0,0]=4 1417 B8R0.6 CCCCCN(C)CC 269982a_100000225621_100000210215 [1,0,0,0,0,0|3,0,0]=4 1418 B8R0.6 CCCCCN(C)CF 269982a_100000223495_100015361967 [1,0,0,0,0,0|3,0,0]=4 1419 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [1,0,0,0,0,0|1,0,2]=4 1420 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [1,0,0,0,0,0|1,0,2]=4 1421 B8R0.6 CCCCNC(C)CC 2230a_100000102301_100000758301 [1,0,0,0,0,0|3,0,0]=4 1422 B8R0.6 CCCCNC(C)CC 2230a_100000209981_100000210211 [1,0,0,0,0,0|3,0,0]=4 1423 B8R0.6 CCCCNC(C)CC 7a_106832991798_100000758301 [1,0,0,0,0,0|3,0,0]=4 1424 B8R0.6 CCCCNC(C)CO 2230a_100000102301_100012180447 [1,0,0,0,0,0|2,0,0]=3 1425 B8R0.6 CCCCNC(C)CO 7a_106832991798_100012180447 [1,0,0,0,0,0|2,0,0]=3 1426 B8R0.6 CCCCN[C@H](C)CO 2230a_100000737577_100000210211 [1,0,0,0,0,0|2,0,0]=3 1427 B8R0.6 CCCCOC(C)CC 34a_100000210227_100011215416 [1,0,0,0,0,0|3,0,0]=4 1428 B8R0.6 CCCCOC(C)CC 7a_100000210227_100000758301 [1,0,0,0,0,0|3,0,0]=4 1429 B8R0.6 CCCCOC(C)CC 7a_100000210228_100000210211 [1,0,0,0,0,0|3,0,0]=4 1430 B8R0.6 CCCCOC(C)CF 34a_100016041109_100000210210 [1,0,0,0,0,0|3,0,0]=4 1431 B8R0.6 CCCCOC(C)CF 7a_100016041109_100000210211 [1,0,0,0,0,0|3,0,0]=4 1432 B8R0.6 CCCCOC(C)CN 34a_100000210904_100000210210 [1,0,0,0,0,0|3,0,0]=4 1433 B8R0.6 CCCCOC(C)CO 34a_100000210227_100012180447 [1,0,0,0,0,0|2,0,0]=3 1434 B8R0.6 CCCCOC(C)CO 7a_100000210227_100012180447 [1,0,0,0,0,0|2,0,0]=3 1435 B8R0.6 CCCCSC(C)CC 62a_100000210211_100000758301 [1,0,0,0,0,0|3,0,0]=4 1436 B8R0.6 CCCCSC(C)CC 62a_100000758301_100000210210 [1,0,0,0,0,0|3,0,0]=4 1437 B8R0.6 CCCCSC(C)CO 62a_100012180447_100000210210 [1,0,0,0,0,0|2,0,0]=3 1438 B8R0.6 CCCCS[C@H](C)CO 62a_100000210211_100016084084 [1,0,0,0,0,0|2,0,0]=3 1439 B8R0.6 CCCCS[C@H](C)CO 62a_100016084084_100000210210 [1,0,0,0,0,0|2,0,0]=3 1440 B8R0.6 CCCNCC(C)CC 2230a_100020588543_100000210303 [1,0,0,0,0,0|3,0,0]=4 1441 B8R0.6 CCCNCC(C)CC 270004a_100020643023_100000243153 [1,0,0,0,0,0|3,0,0]=4 1442 B8R0.6 CCCNCC(C)CO 34a_100000744482_100000210303 [1,0,0,0,0,0|2,0,0]=3 1443 B8R0.6 CCCNCC(O)CC 2230a_100011218483_100000210303 [1,0,0,0,0,0|2,0,0]=3 1444 B8R0.6 CCCNC[C@@H](F)CO 34a_100015665980_100000210303 [1,0,0,0,0,0|2,0,0]=3 1445 B8R0.6 CCCNC[C@H](O)CO 2230a_100020644852_100000210303 [1,0,0,0,0,0|1,0,0]=2 1446 B8R0.6 CCCOCC(C)CC 34a_100000210258_100000748023 [1,0,0,0,0,0|3,0,0]=4 1447 B8R0.6 CCCOCC(C)CN 34a_100000744482_100000210303 [1,0,0,0,0,0|3,0,0]=4 1448 B8R0.6 CCCOCC(Cl)CCl 34a_100000033668_100000210303 [1,0,0,0,0,0|3,0,0]=4 1449 B8R0.6 CCCOCC(O)CC 34a_100000210258_100011218378 [1,0,0,0,0,0|2,0,0]=3 1450 B8R0.6 CCCOCC(O)CO 34a_100000210258_100011219619 [1,0,0,0,0,0|1,0,0]=2 1451 B8R0.6 CCCOC[C@@H](C)CC 34a_100000210258_100009816398 [1,0,0,0,0,0|3,0,0]=4 1452 B8R0.6 CCCOC[C@@H](C)CC 7a_100009816381_100000210303 [1,0,0,0,0,0|3,0,0]=4 1453 B8R0.6 CCCOC[C@@H](C)CO 34a_100000210258_100000059175 [1,0,0,0,0,0|2,0,0]=3 1454 B8R0.6 CCCOC[C@@H](O)CF 34a_100000210258_100015614560 [1,0,0,0,0,0|2,0,0]=3 1455 B8R0.6 CCCOC[C@@H](O)CO 34a_100000210258_100009815848 [1,0,0,0,0,0|1,0,0]=2 1456 B8R0.6 CCCOC[C@H](F)CN 34a_100015665980_100000210303 [1,0,0,0,0,0|3,0,0]=4 1457 B8R0.6 CCCSCC(C)CC 62a_100000210303_100000748023 [1,0,0,0,0,0|3,0,0]=4 1458 B8R0.6 CCCSCC(C)CC 62a_100000748023_100000210303 [1,0,0,0,0,0|3,0,0]=4 1459 B8R0.6 CCCSCC(O)CC 62a_100000210303_100011218378 [1,0,0,0,0,0|2,0,0]=3 1460 B8R0.6 CCCSCC(O)CC 62a_100011218378_100000210303 [1,0,0,0,0,0|2,0,0]=3 1461 B8R0.6 CCCSCC(O)CO 62a_100000210303_100011219619 [1,0,0,0,0,0|1,0,0]=2 1462 B8R0.6 CCCSCC(O)CO 62a_100011219619_100000210303 [1,0,0,0,0,0|1,0,0]=2 1463 B8R0.6 CCCSC[C@@H](C)CC 62a_100000210303_100009816398 [1,0,0,0,0,0|3,0,0]=4 1464 B8R0.6 CCCSC[C@@H](C)CC 62a_100009816398_100000210303 [1,0,0,0,0,0|3,0,0]=4 1465 B8R0.6 CCCSC[C@@H](C)CO 62a_100000059175_100000210303 [1,0,0,0,0,0|2,0,0]=3 1466 B8R0.6 CCCSC[C@@H](C)CO 62a_100000210303_100000059175 [1,0,0,0,0,0|2,0,0]=3 1467 B8R0.6 CCCSC[C@@H](O)CF 62a_100000210303_100015614560 [1,0,0,0,0,0|2,0,0]=3 1468 B8R0.6 CCCSC[C@@H](O)CF 62a_100015614560_100000210303 [1,0,0,0,0,0|2,0,0]=3 1469 B8R0.6 CCCSC[C@@H](O)CO 62a_100000210303_100009815848 [1,0,0,0,0,0|1,0,0]=2 1470 B8R0.6 CCCSC[C@@H](O)CO 62a_100009815848_100000210303 [1,0,0,0,0,0|1,0,0]=2 1471 B8R0.6 CCNCCC(C)CC 2230a_100020591266_100000210202 [1,0,0,0,0,0|3,0,0]=4 1472 B8R0.6 CCNCCC(C)CO 2230a_106354213184_100000210202 [1,0,0,0,0,0|2,0,0]=3 1473 B8R0.6 CCNCCC(C)CO 34a_106354213184_100000210202 [1,0,0,0,0,0|2,0,0]=3 1474 B8R0.6 CCNN=CC(O)CO 4a_100000756455_100000033539 [1,0,0,0,0,0|2,0,1]=4 1475 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [1,0,0,0,0,0|1,0,2]=4 1476 B8R0.6 CCOCCC(C)CC 7a_100011215188_100000210202 [1,0,0,0,0,0|3,0,0]=4 1477 B8R0.6 CCOCSC(C)CO 62a_100012180447_100000739092 [1,0,0,0,0,0|3,0,0]=4 1478 B8R0.6 CCOCS[C@H](C)CO 62a_100000739092_100016084084 [1,0,0,0,0,0|3,0,0]=4 1479 B8R0.6 CCOCS[C@H](C)CO 62a_100016084084_100000739092 [1,0,0,0,0,0|3,0,0]=4 1480 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [1,0,0,0,0,0|1,0,2]=4 1481 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [1,0,0,0,0,0|1,0,2]=4 1482 B8R0.6 COCCC[C@@H](C)CN 34a_100160569302_200000210301 [1,0,0,0,0,0|3,0,0]=4 1483 B8R0.6 COCCNC(C)CO 2230a_100000209980_100012180447 [1,0,0,0,0,0|3,0,0]=4 1484 B8R0.6 COCCN[C@H](C)CO 2230a_100000737577_100011201679 [1,0,0,0,0,0|3,0,0]=4 1485 B8R0.6 COCCOC(C)CO 34a_100000210237_100012180447 [1,0,0,0,0,0|3,0,0]=4 1486 B8R0.6 COCCSC(C)CO 62a_100012180447_100000233755 [1,0,0,0,0,0|3,0,0]=4 1487 B8R0.6 COCCS[C@H](C)CO 62a_100000233755_100016084084 [1,0,0,0,0,0|3,0,0]=4 1488 B8R0.6 COCCS[C@H](C)CO 62a_100016084084_100000233755 [1,0,0,0,0,0|3,0,0]=4 1489 B8R0.6 COCNC[C@H](O)CO 2230a_100020644852_100000766300 [1,0,0,0,0,0|2,0,0]=3 1490 B8R0.6 COCSCC(O)CO 62a_100000766300_100011219619 [1,0,0,0,0,0|2,0,0]=3 1491 B8R0.6 COCSCC(O)CO 62a_100011219619_100000766300 [1,0,0,0,0,0|2,0,0]=3 1492 B8R0.6 COCSC[C@@H](C)CO 62a_100000059175_100000766300 [1,0,0,0,0,0|3,0,0]=4 1493 B8R0.6 COCSC[C@@H](C)CO 62a_100000766300_100000059175 [1,0,0,0,0,0|3,0,0]=4 1494 B8R0.6 COCSC[C@@H](O)CF 62a_100000766300_100015614560 [1,0,0,0,0,0|3,0,0]=4 1495 B8R0.6 COCSC[C@@H](O)CF 62a_100015614560_100000766300 [1,0,0,0,0,0|3,0,0]=4 1496 B8R0.6 COCSC[C@@H](O)CO 62a_100000766300_100009815848 [1,0,0,0,0,0|2,0,0]=3 1497 B8R0.6 COCSC[C@@H](O)CO 62a_100009815848_100000766300 [1,0,0,0,0,0|2,0,0]=3 1498 B8R0.6 CSCCNC(C)CO 2230a_100020590264_100012180447 [1,0,0,0,0,0|3,0,0]=4 1499 B8R0.6 CSCCN[C@H](C)CO 2230a_100000737577_100000751147 [1,0,0,0,0,0|3,0,0]=4 1500 B8R0.6 CSCCOC(C)CO 34a_100000230434_100012180447 [1,0,0,0,0,0|3,0,0]=4 1501 B8R0.6 CSCCOC(C)CO 7a_100000230434_100012180447 [1,0,0,0,0,0|3,0,0]=4 1502 B8R0.6 CSCCSC(C)CO 62a_100012180447_100000751147 [1,0,0,0,0,0|3,0,0]=4 1503 B8R0.6 CSCCS[C@H](C)CO 62a_100000212216_100016084084 [1,0,0,0,0,0|3,0,0]=4 1504 B8R0.6 CSCCS[C@H](C)CO 62a_100016084084_100000751147 [1,0,0,0,0,0|3,0,0]=4 1505 B8R0.6 CSCNCC(C)CO 34a_100000744482_100011218213 [1,0,0,0,0,0|3,0,0]=4 1506 B8R0.6 CSCNC[C@@H](F)CO 34a_100015665980_100011218213 [1,0,0,0,0,0|3,0,0]=4 1507 B8R0.6 CSCNC[C@H](O)CO 2230a_100020644852_100011218213 [1,0,0,0,0,0|2,0,0]=3 1508 B8R0.6 CSCSCC(O)CO 62a_100011218213_100011219619 [1,0,0,0,0,0|2,0,0]=3 1509 B8R0.6 CSCSCC(O)CO 62a_100011219619_100011218213 [1,0,0,0,0,0|2,0,0]=3 1510 B8R0.6 CSCSC[C@@H](C)CO 62a_100000059175_100011218213 [1,0,0,0,0,0|3,0,0]=4 1511 B8R0.6 CSCSC[C@@H](C)CO 62a_100011218213_100000059175 [1,0,0,0,0,0|3,0,0]=4 1512 B8R0.6 CSCSC[C@@H](O)CF 62a_100011218213_100015614560 [1,0,0,0,0,0|3,0,0]=4 1513 B8R0.6 CSCSC[C@@H](O)CF 62a_100015614560_100011218213 [1,0,0,0,0,0|3,0,0]=4 1514 B8R0.6 CSCSC[C@@H](O)CO 62a_100009815848_100011218213 [1,0,0,0,0,0|2,0,0]=3 1515 B8R0.6 CSCSC[C@@H](O)CO 62a_100011218213_100009815848 [1,0,0,0,0,0|2,0,0]=3 1516 B8R0.6 C[C@@H](CN)CCCO[13CH3] 34a_100160569302_200025704644 [1,0,0,0,0,0|3,0,0]=4 1517 B8R0.6 C[C@@H](CO)CNCCF 34a_100000724931_100000059175 [1,0,0,0,0,0|3,0,0]=4 1518 B8R0.6 C[C@@H](CO)CNCCO 2230a_100016997473_100000059175 [1,0,0,0,0,0|3,0,0]=4 1519 B8R0.6 C[C@@H](CO)CNCCO 34a_100016990907_100000059175 [1,0,0,0,0,0|3,0,0]=4 1520 B8R0.6 C[C@@H](CO)COCCBr 34a_100000211926_100000059175 [1,0,0,0,0,0|3,0,0]=4 1521 B8R0.6 C[C@@H](CO)COCCN 34a_100000210304_100000059175 [1,0,0,0,0,0|3,0,0]=4 1522 B8R0.6 C[C@@H](CO)CSCCF 62a_100000059175_100011217306 [1,0,0,0,0,0|3,0,0]=4 1523 B8R0.6 C[C@@H](CO)CSCCF 62a_100011217306_100000059175 [1,0,0,0,0,0|3,0,0]=4 1524 B8R0.6 C[C@@H](CO)CSCCO 62a_100000059175_100000211926 [1,0,0,0,0,0|3,0,0]=4 1525 B8R0.6 C[C@@H](CO)CSCCO 62a_100000211926_100000059175 [1,0,0,0,0,0|3,0,0]=4 1526 B8R0.6 C[C@H](CO)NCCCF 2230a_100000737577_100011934791 [1,0,0,0,0,0|3,0,0]=4 1527 B8R0.6 C[C@H](CO)NCCCO 2230a_100000737577_100000230001 [1,0,0,0,0,0|3,0,0]=4 1528 B8R0.6 C[C@H](CO)SCCCF 62a_100011934791_100016084084 [1,0,0,0,0,0|3,0,0]=4 1529 B8R0.6 C[C@H](CO)SCCCF 62a_100016084084_100011934791 [1,0,0,0,0,0|3,0,0]=4 1530 B8R0.6 C[C@H](CO)SCCCO 62a_100011215043_100016084084 [1,0,0,0,0,0|3,0,0]=4 1531 B8R0.6 C[C@H](CO)SCCCO 62a_100016084084_100011215043 [1,0,0,0,0,0|3,0,0]=4 1532 B8R0.6 N#CCNC[C@H](O)CO 2230a_100020644852_100011215382 [1,0,0,0,0,0|2,0,1]=4 1533 B8R0.6 N#CCSCC(O)CO 62a_100011215382_100011219619 [1,0,0,0,0,0|2,0,1]=4 1534 B8R0.6 N#CCSCC(O)CO 62a_100011219619_100011215382 [1,0,0,0,0,0|2,0,1]=4 1535 B8R0.6 N#CCSC[C@@H](O)CO 62a_100009815848_100011215382 [1,0,0,0,0,0|2,0,1]=4 1536 B8R0.6 N#CCSC[C@@H](O)CO 62a_100011215382_100009815848 [1,0,0,0,0,0|2,0,1]=4 1537 B8R0.6 NCCOCC(O)CO 34a_100000210304_100011219619 [1,0,0,0,0,0|2,0,0]=3 1538 B8R0.6 NCCOC[C@@H](O)CF 34a_100000210304_100015614560 [1,0,0,0,0,0|3,0,0]=4 1539 B8R0.6 NCCOC[C@@H](O)CO 34a_100000210304_100009815848 [1,0,0,0,0,0|2,0,0]=3 1540 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [1,0,0,0,0,0|1,0,2]=4 1541 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [1,0,0,0,0,0|1,0,2]=4 1542 B8R0.6 O=CCNC[C@H](O)CO 2230a_100020644852_200015260668 [1,0,0,0,0,0|2,0,1]=4 1543 B8R0.6 O=CCSCC(O)CO 62a_100011219619_200015260668 [1,0,0,0,0,0|2,0,1]=4 1544 B8R0.6 O=CCSCC(O)CO 62a_200015260668_100011219619 [1,0,0,0,0,0|2,0,1]=4 1545 B8R0.6 O=CCSC[C@@H](O)CO 62a_100009815848_200015260668 [1,0,0,0,0,0|2,0,1]=4 1546 B8R0.6 O=CCSC[C@@H](O)CO 62a_200015260668_100009815848 [1,0,0,0,0,0|2,0,1]=4 1547 B8R0.6 OCC(O)CNCCF 34a_100000724931_100011219619 [1,0,0,0,0,0|2,0,0]=3 1548 B8R0.6 OCC(O)COCCBr 34a_100000211926_100011219619 [1,0,0,0,0,0|2,0,0]=3 1549 B8R0.6 OCC(O)CSCCF 62a_100011217306_100011219619 [1,0,0,0,0,0|2,0,0]=3 1550 B8R0.6 OCC(O)CSCCF 62a_100011219619_100011217306 [1,0,0,0,0,0|2,0,0]=3 1551 B8R0.6 OCCNCC(O)CO 2230a_100016997473_100011219619 [1,0,0,0,0,0|2,0,0]=3 1552 B8R0.6 OCCNCC(O)CO 34a_100016990907_100011219619 [1,0,0,0,0,0|2,0,0]=3 1553 B8R0.6 OCCNC[C@@H](F)CO 34a_100015665980_100000211926 [1,0,0,0,0,0|3,0,0]=4 1554 B8R0.6 OCCNC[C@@H](O)CF 2230a_100016997473_100015614560 [1,0,0,0,0,0|3,0,0]=4 1555 B8R0.6 OCCNC[C@@H](O)CF 34a_100016990907_100015614560 [1,0,0,0,0,0|3,0,0]=4 1556 B8R0.6 OCCNC[C@@H](O)CO 2230a_100016997473_100009815848 [1,0,0,0,0,0|2,0,0]=3 1557 B8R0.6 OCCNC[C@@H](O)CO 34a_100016990907_100009815848 [1,0,0,0,0,0|2,0,0]=3 1558 B8R0.6 OCCNC[C@H](O)CO 2230a_100020644852_100000211926 [1,0,0,0,0,0|2,0,0]=3 1559 B8R0.6 OCCSCC(O)CO 62a_100000211926_100011219619 [1,0,0,0,0,0|2,0,0]=3 1560 B8R0.6 OCCSCC(O)CO 62a_100011219619_100000211926 [1,0,0,0,0,0|2,0,0]=3 1561 B8R0.6 OCCSC[C@@H](O)CF 62a_100000211926_100015614560 [1,0,0,0,0,0|3,0,0]=4 1562 B8R0.6 OCCSC[C@@H](O)CF 62a_100015614560_100000211926 [1,0,0,0,0,0|3,0,0]=4 1563 B8R0.6 OCCSC[C@@H](O)CO 62a_100000211926_100009815848 [1,0,0,0,0,0|2,0,0]=3 1564 B8R0.6 OCCSC[C@@H](O)CO 62a_100009815848_100000211926 [1,0,0,0,0,0|2,0,0]=3 1565 B8R0.6 OC[C@@H](O)CNCCF 2230a_100020644852_100011217306 [1,0,0,0,0,0|2,0,0]=3 1566 B8R0.6 OC[C@H](F)CNCCF 34a_100015665980_100011217306 [1,0,0,0,0,0|3,0,0]=4 1567 B8R0.6 OC[C@H](O)CNCCF 34a_100000724931_100009815848 [1,0,0,0,0,0|2,0,0]=3 1568 B8R0.6 OC[C@H](O)COCCBr 34a_100000211926_100009815848 [1,0,0,0,0,0|2,0,0]=3 1569 B8R0.6 OC[C@H](O)CSCCF 62a_100009815848_100011217306 [1,0,0,0,0,0|2,0,0]=3 1570 B8R0.6 OC[C@H](O)CSCCF 62a_100011217306_100009815848 [1,0,0,0,0,0|2,0,0]=3 1571 B8R0.6 O[C@@H](CF)CNCCF 34a_100000724931_100015614560 [1,0,0,0,0,0|3,0,0]=4 1572 B8R0.6 O[C@@H](CF)COCCBr 34a_100000211926_100015614560 [1,0,0,0,0,0|3,0,0]=4 1573 B8R0.6 O[C@@H](CF)CSCCF 62a_100011217306_100015614560 [1,0,0,0,0,0|3,0,0]=4 1574 B8R0.6 O[C@@H](CF)CSCCF 62a_100015614560_100011217306 [1,0,0,0,0,0|3,0,0]=4 1575 B8R0.7 C#CCCNCC(C)O 2230a_100000210904_100000688953 [1,0,0,0,0,0|1,0,2]=4 1576 B8R0.7 C#CCCNCC(C)O 34a_100000210904_100000688953 [1,0,0,0,0,0|1,0,2]=4 1577 B8R0.7 C#CCCNCC(C)O 34a_100000755551_100011218427 [1,0,0,0,0,0|1,0,2]=4 1578 B8R0.7 C#CCCNC[C@@H](C)O 34a_100000755551_100009817552 [1,0,0,0,0,0|1,0,2]=4 1579 B8R0.7 C#CCCOCC(C)O 34a_100011215631_100011218427 [1,0,0,0,0,0|1,0,2]=4 1580 B8R0.7 C#CCCOC[C@@H](C)O 34a_100011215631_100009817552 [1,0,0,0,0,0|1,0,2]=4 1581 B8R0.7 C#CCCSCC(C)O 62a_100000688953_100011218427 [1,0,0,0,0,0|1,0,2]=4 1582 B8R0.7 C#CCCSCC(C)O 62a_100011218427_100000688953 [1,0,0,0,0,0|1,0,2]=4 1583 B8R0.7 C#CCCSC[C@@H](C)O 62a_100000688953_100009817552 [1,0,0,0,0,0|1,0,2]=4 1584 B8R0.7 C#CCCSC[C@@H](C)O 62a_100009817552_100000688953 [1,0,0,0,0,0|1,0,2]=4 1585 B8R0.7 C#CCNCCC(C)O 2230a_200000755665_100000038162 [1,0,0,0,0,0|1,0,2]=4 1586 B8R0.7 C#CCNCCC(C)O 34a_100000212058_100012276601 [1,0,0,0,0,0|1,0,2]=4 1587 B8R0.7 C#CCOCCC(C)O 34a_100000210247_100012276601 [1,0,0,0,0,0|1,0,2]=4 1588 B8R0.7 C#CCSCCC(C)O 62a_100000038162_100012276601 [1,0,0,0,0,0|1,0,2]=4 1589 B8R0.7 C/C=C/CNCC(C)O 34a_100000210904_100102629194 [1,0,0,0,0,0|1,0,2]=4 1590 B8R0.7 C/C=C/COCC(C)O 34a_100016270725_100011218427 [1,0,0,0,0,0|1,0,2]=4 1591 B8R0.7 C/C=C/COC[C@@H](C)O 34a_100016270725_100009817552 [1,0,0,0,0,0|1,0,2]=4 1592 B8R0.7 C/C=C/CSCC(C)O 62a_100011218427_100102629194 [1,0,0,0,0,0|1,0,2]=4 1593 B8R0.7 C/C=C/CSCC(C)O 62a_100102629194_100011218427 [1,0,0,0,0,0|1,0,2]=4 1594 B8R0.7 C/C=C/CSC[C@@H](C)O 62a_100009817552_100102629194 [1,0,0,0,0,0|1,0,2]=4 1595 B8R0.7 C/C=C/CSC[C@@H](C)O 62a_100102629194_100009817552 [1,0,0,0,0,0|1,0,2]=4 1596 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [1,0,0,0,0,0|2,0,1]=4 1597 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [1,0,0,0,0,0|2,0,1]=4 1598 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [1,0,0,0,0,0|2,0,1]=4 1599 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [1,0,0,0,0,0|2,0,1]=4 1600 B8R0.7 C=C(C)CNCCCC 2230a_100000102301_100000748629 [1,0,0,0,0,0|2,0,1]=4 1601 B8R0.7 C=C(C)CNCCCC 7a_106832991798_100000748629 [1,0,0,0,0,0|2,0,1]=4 1602 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [1,0,0,0,0,0|2,0,1]=4 1603 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [1,0,0,0,0,0|2,0,1]=4 1604 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [1,0,0,0,0,0|2,0,1]=4 1605 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [1,0,0,0,0,0|2,0,1]=4 1606 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [1,0,0,0,0,0|2,0,1]=4 1607 B8R0.7 C=CCCNCC(C)O 2230a_100000210904_100000754431 [1,0,0,0,0,0|1,0,2]=4 1608 B8R0.7 C=CCCNCC(C)O 2230a_100015191253_100011218427 [1,0,0,0,0,0|1,0,2]=4 1609 B8R0.7 C=CCCNCC(C)O 34a_100000210904_100000754431 [1,0,0,0,0,0|1,0,2]=4 1610 B8R0.7 C=CCCNC[C@@H](C)O 2230a_100015191253_100009817552 [1,0,0,0,0,0|1,0,2]=4 1611 B8R0.7 C=CCCOCC(C)O 34a_100011205117_100011218427 [1,0,0,0,0,0|1,0,2]=4 1612 B8R0.7 C=CCCOC[C@@H](C)O 34a_100011205117_100009817552 [1,0,0,0,0,0|1,0,2]=4 1613 B8R0.7 C=CCCSCC(C)O 62a_100000754431_100011218427 [1,0,0,0,0,0|1,0,2]=4 1614 B8R0.7 C=CCCSCC(C)O 62a_100011218427_100000754431 [1,0,0,0,0,0|1,0,2]=4 1615 B8R0.7 C=CCCSC[C@@H](C)O 62a_100000754431_100009817552 [1,0,0,0,0,0|1,0,2]=4 1616 B8R0.7 C=CCCSC[C@@H](C)O 62a_100009817552_100000754431 [1,0,0,0,0,0|1,0,2]=4 1617 B8R0.7 C=CCNCCC(C)O 2230a_100020586998_100012276601 [1,0,0,0,0,0|1,0,2]=4 1618 B8R0.7 C=CCNCCC(C)O 2230a_200000755665_100000210623 [1,0,0,0,0,0|1,0,2]=4 1619 B8R0.7 C=CCOCCC(C)O 34a_200000210373_100012276601 [1,0,0,0,0,0|1,0,2]=4 1620 B8R0.7 C=CCSCCC(C)O 62a_100000210623_100012276601 [1,0,0,0,0,0|1,0,2]=4 1621 B8R0.7 C=CCSCCC(C)O 62a_100012276601_100000210623 [1,0,0,0,0,0|1,0,2]=4 1622 B8R0.7 CC#CCNCC(C)O 2230a_100000210904_100000748600 [1,0,0,0,0,0|1,0,2]=4 1623 B8R0.7 CC#CCNCC(C)O 2230a_100000685387_100011218427 [1,0,0,0,0,0|1,0,2]=4 1624 B8R0.7 CC#CCNCC(C)O 34a_100000210904_100000748600 [1,0,0,0,0,0|1,0,2]=4 1625 B8R0.7 CC#CCNCC(C)O 34a_100000685387_100011218427 [1,0,0,0,0,0|1,0,2]=4 1626 B8R0.7 CC#CCNC[C@@H](C)O 2230a_100000685387_100009817552 [1,0,0,0,0,0|1,0,2]=4 1627 B8R0.7 CC#CCNC[C@@H](C)O 34a_100000685387_100009817552 [1,0,0,0,0,0|1,0,2]=4 1628 B8R0.7 CC#CCOCC(C)O 34a_100000761923_100011218427 [1,0,0,0,0,0|1,0,2]=4 1629 B8R0.7 CC#CCOC[C@@H](C)O 34a_100000761923_100009817552 [1,0,0,0,0,0|1,0,2]=4 1630 B8R0.7 CC#CCSCC(C)O 62a_100000748600_100011218427 [1,0,0,0,0,0|1,0,2]=4 1631 B8R0.7 CC#CCSCC(C)O 62a_100011218427_100000748600 [1,0,0,0,0,0|1,0,2]=4 1632 B8R0.7 CC#CCSC[C@@H](C)O 62a_100000748600_100009817552 [1,0,0,0,0,0|1,0,2]=4 1633 B8R0.7 CC#CCSC[C@@H](C)O 62a_100009817552_100000748600 [1,0,0,0,0,0|1,0,2]=4 1634 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [1,0,0,0,0,0|1,0,2]=4 1635 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [1,0,0,0,0,0|1,0,2]=4 1636 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [1,0,0,0,0,0|1,0,2]=4 1637 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [1,0,0,0,0,0|1,0,2]=4 1638 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [1,0,0,0,0,0|1,0,2]=4 1639 B8R0.7 CC(Br)CCOCCF 34a_100009893172_100011217306 [1,0,0,0,0,0|3,0,0]=4 1640 B8R0.7 CC(Br)CCOCCO 34a_100009893172_100000211926 [1,0,0,0,0,0|3,0,0]=4 1641 B8R0.7 CC(Br)COCCCF 34a_100012180447_100011934791 [1,0,0,0,0,0|3,0,0]=4 1642 B8R0.7 CC(Br)COCCCO 34a_100012180447_100000230001 [1,0,0,0,0,0|3,0,0]=4 1643 B8R0.7 CC(C)CCCCO[13CH3] 34a_100011214890_200025704644 [1,0,0,0,0,0|2,0,0]=3 1644 B8R0.7 CC(C)CCCCO[13CH3] 7a_100011214890_200025704644 [1,0,0,0,0,0|2,0,0]=3 1645 B8R0.7 CC(C)CCCCS[13CH3] 62a_100011216152_200025704644 [1,0,0,0,0,0|2,0,0]=3 1646 B8R0.7 CC(C)CCCCS[13CH3] 62a_200025704644_100011216152 [1,0,0,0,0,0|2,0,0]=3 1647 B8R0.7 CC(C)CCCNCF 34a_200000737386_100015361967 [1,0,0,0,0,0|3,0,0]=4 1648 B8R0.7 CC(C)CCCOCF 34a_100000210774_100015361967 [1,0,0,0,0,0|3,0,0]=4 1649 B8R0.7 CC(C)CCCOCF 7a_100000210774_100015361967 [1,0,0,0,0,0|3,0,0]=4 1650 B8R0.7 CC(C)CCCSCF 62a_100011214892_100015361967 [1,0,0,0,0,0|3,0,0]=4 1651 B8R0.7 CC(C)CCCSCF 62a_100015361967_100011214892 [1,0,0,0,0,0|3,0,0]=4 1652 B8R0.7 CC(C)CCNCCF 269862a_100000724931_100000185833 [1,0,0,0,0,0|3,0,0]=4 1653 B8R0.7 CC(C)CCNCCF 34a_100000724931_100000210312 [1,0,0,0,0,0|3,0,0]=4 1654 B8R0.7 CC(C)CCNCCO 2230a_100016997473_100000210312 [1,0,0,0,0,0|3,0,0]=4 1655 B8R0.7 CC(C)CCNCCO 269862a_100000210304_100000185833 [1,0,0,0,0,0|3,0,0]=4 1656 B8R0.7 CC(C)CCNCCO 34a_100016990907_100000210312 [1,0,0,0,0,0|3,0,0]=4 1657 B8R0.7 CC(C)CCOCCBr 34a_100000211926_100000210312 [1,0,0,0,0,0|3,0,0]=4 1658 B8R0.7 CC(C)CCOCCF 34a_100000210254_100011217306 [1,0,0,0,0,0|3,0,0]=4 1659 B8R0.7 CC(C)CCOCCF 7a_100000210254_100011217306 [1,0,0,0,0,0|3,0,0]=4 1660 B8R0.7 CC(C)CCOCCN 34a_100000210304_100000210312 [1,0,0,0,0,0|3,0,0]=4 1661 B8R0.7 CC(C)CCOCCO 34a_100000210254_100000211926 [1,0,0,0,0,0|3,0,0]=4 1662 B8R0.7 CC(C)CCOCCO 7a_100000210254_100000211926 [1,0,0,0,0,0|3,0,0]=4 1663 B8R0.7 CC(C)CCSCCF 62a_100000210312_100011217306 [1,0,0,0,0,0|3,0,0]=4 1664 B8R0.7 CC(C)CCSCCF 62a_100011217306_100000210312 [1,0,0,0,0,0|3,0,0]=4 1665 B8R0.7 CC(C)CCSCCO 62a_100000210312_100000211926 [1,0,0,0,0,0|3,0,0]=4 1666 B8R0.7 CC(C)CCSCCO 62a_100000211926_100000210312 [1,0,0,0,0,0|3,0,0]=4 1667 B8R0.7 CC(C)CNCCCF 2230a_100000210953_100011934791 [1,0,0,0,0,0|3,0,0]=4 1668 B8R0.7 CC(C)CNCCCF 2230a_100015189416_100000210760 [1,0,0,0,0,0|3,0,0]=4 1669 B8R0.7 CC(C)CNCCCF 270004a_100015189416_100000210432 [1,0,0,0,0,0|3,0,0]=4 1670 B8R0.7 CC(C)CNCCCF 34a_100000210953_100011934791 [1,0,0,0,0,0|3,0,0]=4 1671 B8R0.7 CC(C)CNCCCF 34a_100015189416_100000210624 [1,0,0,0,0,0|3,0,0]=4 1672 B8R0.7 CC(C)CNCCCO 2230a_100000210953_100000230001 [1,0,0,0,0,0|3,0,0]=4 1673 B8R0.7 CC(C)CNCCCO 270004a_100000182051_100000210432 [1,0,0,0,0,0|3,0,0]=4 1674 B8R0.7 CC(C)CNCCCO 34a_100000210953_100000230001 [1,0,0,0,0,0|3,0,0]=4 1675 B8R0.7 CC(C)CNCCO[13CH3] 34a_100015185251_200025704644 [1,0,0,0,0,0|3,0,0]=4 1676 B8R0.7 CC(C)COCCCBr 34a_100011217188_100000210624 [1,0,0,0,0,0|3,0,0]=4 1677 B8R0.7 CC(C)COCCCCl 34a_100000230001_100000210624 [1,0,0,0,0,0|3,0,0]=4 1678 B8R0.7 CC(C)COCCCF 34a_100000210257_100011934791 [1,0,0,0,0,0|3,0,0]=4 1679 B8R0.7 CC(C)COCCCF 34a_100000759539_100000210624 [1,0,0,0,0,0|3,0,0]=4 1680 B8R0.7 CC(C)COCCCN 34a_100000182051_100000210624 [1,0,0,0,0,0|3,0,0]=4 1681 B8R0.7 CC(C)COCCCO 34a_100000210257_100000230001 [1,0,0,0,0,0|3,0,0]=4 1682 B8R0.7 CC(C)COCCO[13CH3] 34a_100000703358_200025704644 [1,0,0,0,0,0|3,0,0]=4 1683 B8R0.7 CC(C)COCCO[13CH3] 7a_100000703358_200025704644 [1,0,0,0,0,0|3,0,0]=4 1684 B8R0.7 CC(C)CSCCCF 62a_100000210624_100011934791 [1,0,0,0,0,0|3,0,0]=4 1685 B8R0.7 CC(C)CSCCCF 62a_100011934791_100000210760 [1,0,0,0,0,0|3,0,0]=4 1686 B8R0.7 CC(C)CSCCCO 62a_100000210624_100011215043 [1,0,0,0,0,0|3,0,0]=4 1687 B8R0.7 CC(C)CSCCCO 62a_100011215043_100000210760 [1,0,0,0,0,0|3,0,0]=4 1688 B8R0.7 CC(C)CSCCO[13CH3] 34a_200000230437_200025704644 [1,0,0,0,0,0|3,0,0]=4 1689 B8R0.7 CC(C)CSCCO[13CH3] 7a_200000230437_200025704644 [1,0,0,0,0,0|3,0,0]=4 1690 B8R0.7 CC(C)NCCCCF 2230a_100138425928_100000729493 [1,0,0,0,0,0|3,0,0]=4 1691 B8R0.7 CC(C)NCCCCF 34a_100138425928_100000729493 [1,0,0,0,0,0|3,0,0]=4 1692 B8R0.7 CC(C)NCCCCO 2230a_100000750430_100000210206 [1,0,0,0,0,0|3,0,0]=4 1693 B8R0.7 CC(C)NCCCCO 2230a_100138425928_100000210776 [1,0,0,0,0,0|3,0,0]=4 1694 B8R0.7 CC(C)NCCCCO 34a_100000750430_100000210206 [1,0,0,0,0,0|3,0,0]=4 1695 B8R0.7 CC(C)NCCCCO 34a_100138425928_100011216708 [1,0,0,0,0,0|3,0,0]=4 1696 B8R0.7 CC(C)NCCCO[13CH3] 34a_100000182298_200025704644 [1,0,0,0,0,0|3,0,0]=4 1697 B8R0.7 CC(C)OCCCCBr 34a_100011216708_100000210206 [1,0,0,0,0,0|3,0,0]=4 1698 B8R0.7 CC(C)OCCCCCl 34a_100000210776_100000210206 [1,0,0,0,0,0|3,0,0]=4 1699 B8R0.7 CC(C)OCCCCCl 7a_100000210776_100000210206 [1,0,0,0,0,0|3,0,0]=4 1700 B8R0.7 CC(C)OCCCCF 34a_100000212225_100000729493 [1,0,0,0,0,0|3,0,0]=4 1701 B8R0.7 CC(C)OCCCCF 34a_100011995726_100000210206 [1,0,0,0,0,0|3,0,0]=4 1702 B8R0.7 CC(C)OCCCCF 7a_100011995726_100000210206 [1,0,0,0,0,0|3,0,0]=4 1703 B8R0.7 CC(C)OCCCCI 34a_200012148704_100000210206 [1,0,0,0,0,0|3,0,0]=4 1704 B8R0.7 CC(C)OCCCCN 34a_100000750430_100000210206 [1,0,0,0,0,0|3,0,0]=4 1705 B8R0.7 CC(C)OCCCCO 34a_100000212225_100011216708 [1,0,0,0,0,0|3,0,0]=4 1706 B8R0.7 CC(C)OCCCN[13CH3] 2230a_100000737246_200025704644 [1,0,0,0,0,0|3,0,0]=4 1707 B8R0.7 CC(C)OCCCN[13CH3] 34a_100000737246_200025704644 [1,0,0,0,0,0|3,0,0]=4 1708 B8R0.7 CC(C)SCCCCF 62a_100000210206_100000729493 [1,0,0,0,0,0|3,0,0]=4 1709 B8R0.7 CC(C)SCCCCF 62a_100000729493_100000210206 [1,0,0,0,0,0|3,0,0]=4 1710 B8R0.7 CC(C)SCCCCO 62a_100000210206_100000210776 [1,0,0,0,0,0|3,0,0]=4 1711 B8R0.7 CC(C)SCCCCO 62a_100000210776_100000210206 [1,0,0,0,0,0|3,0,0]=4 1712 B8R0.7 CC(F)COCCCF 34a_100015925927_100011934791 [1,0,0,0,0,0|3,0,0]=4 1713 B8R0.7 CC(F)COCCCO 34a_100015925927_100000230001 [1,0,0,0,0,0|3,0,0]=4 1714 B8R0.7 CC(O)CCCSCF 62a_100015361967_200000718107 [1,0,0,0,0,0|2,0,0]=3 1715 B8R0.7 CC(O)CCCSCF 62a_200000718107_100015361967 [1,0,0,0,0,0|2,0,0]=3 1716 B8R0.7 CC(O)CCNCC#N 2230a_200000755665_100011215382 [1,0,0,0,0,0|2,0,1]=4 1717 B8R0.7 CC(O)CCNCC=O 2230a_200000755665_200015260668 [1,0,0,0,0,0|2,0,1]=4 1718 B8R0.7 CC(O)CCNCCF 2230a_200000755665_100011217306 [1,0,0,0,0,0|2,0,0]=3 1719 B8R0.7 CC(O)CCNCCF 34a_100000724931_100012276601 [1,0,0,0,0,0|2,0,0]=3 1720 B8R0.7 CC(O)CCNCCO 2230a_100016997473_100012276601 [1,0,0,0,0,0|2,0,0]=3 1721 B8R0.7 CC(O)CCNCCO 2230a_200000755665_100000211926 [1,0,0,0,0,0|2,0,0]=3 1722 B8R0.7 CC(O)CCNCCO 34a_100016990907_100012276601 [1,0,0,0,0,0|2,0,0]=3 1723 B8R0.7 CC(O)CCOCCBr 34a_100000211926_100012276601 [1,0,0,0,0,0|2,0,0]=3 1724 B8R0.7 CC(O)CCOCCN 34a_100000210304_100012276601 [1,0,0,0,0,0|2,0,0]=3 1725 B8R0.7 CC(O)CCSCC#N 62a_100011215382_100012276601 [1,0,0,0,0,0|2,0,1]=4 1726 B8R0.7 CC(O)CCSCC#N 62a_100012276601_100011215382 [1,0,0,0,0,0|2,0,1]=4 1727 B8R0.7 CC(O)CCSCC=O 62a_100012276601_200015260668 [1,0,0,0,0,0|2,0,1]=4 1728 B8R0.7 CC(O)CCSCC=O 62a_200015260668_100012276601 [1,0,0,0,0,0|2,0,1]=4 1729 B8R0.7 CC(O)CCSCCF 62a_100011217306_100012276601 [1,0,0,0,0,0|2,0,0]=3 1730 B8R0.7 CC(O)CCSCCF 62a_100012276601_100011217306 [1,0,0,0,0,0|2,0,0]=3 1731 B8R0.7 CC(O)CCSCCO 62a_100000211926_100012276601 [1,0,0,0,0,0|2,0,0]=3 1732 B8R0.7 CC(O)CCSCCO 62a_100012276601_100000211926 [1,0,0,0,0,0|2,0,0]=3 1733 B8R0.7 CC(O)CNCCC#N 2230a_100000210904_100011215226 [1,0,0,0,0,0|2,0,1]=4 1734 B8R0.7 CC(O)CNCCCF 2230a_100000210904_100011934791 [1,0,0,0,0,0|2,0,0]=3 1735 B8R0.7 CC(O)CNCCCF 2230a_100015189416_100011218427 [1,0,0,0,0,0|2,0,0]=3 1736 B8R0.7 CC(O)CNCCCF 34a_100000210904_100011934791 [1,0,0,0,0,0|2,0,0]=3 1737 B8R0.7 CC(O)CNCCCF 34a_100015189416_100011218427 [1,0,0,0,0,0|2,0,0]=3 1738 B8R0.7 CC(O)CNCCCO 2230a_100000210904_100000230001 [1,0,0,0,0,0|2,0,0]=3 1739 B8R0.7 CC(O)CNCCCO 34a_100000210904_100000230001 [1,0,0,0,0,0|2,0,0]=3 1740 B8R0.7 CC(O)COCCCBr 34a_100011217188_100011218427 [1,0,0,0,0,0|2,0,0]=3 1741 B8R0.7 CC(O)COCCCCl 34a_100000230001_100011218427 [1,0,0,0,0,0|2,0,0]=3 1742 B8R0.7 CC(O)COCCCF 34a_100000759539_100011218427 [1,0,0,0,0,0|2,0,0]=3 1743 B8R0.7 CC(O)COCCCN 34a_100000182051_100011218427 [1,0,0,0,0,0|2,0,0]=3 1744 B8R0.7 CC(O)COCCON 34a_100000700252_100011218427 [1,0,0,0,0,0|3,0,0]=4 1745 B8R0.7 CC(O)CSCCC#N 62a_100011215226_100011218427 [1,0,0,0,0,0|2,0,1]=4 1746 B8R0.7 CC(O)CSCCC#N 62a_100011218427_100011215226 [1,0,0,0,0,0|2,0,1]=4 1747 B8R0.7 CC(O)CSCCCF 62a_100011218427_100011934791 [1,0,0,0,0,0|2,0,0]=3 1748 B8R0.7 CC(O)CSCCCF 62a_100011934791_100011218427 [1,0,0,0,0,0|2,0,0]=3 1749 B8R0.7 CC(O)CSCCCO 62a_100011215043_100011218427 [1,0,0,0,0,0|2,0,0]=3 1750 B8R0.7 CC(O)CSCCCO 62a_100011218427_100011215043 [1,0,0,0,0,0|2,0,0]=3 1751 B8R0.7 CC=CCNCC(C)O 2230a_100000210904_100000070051 [1,0,0,0,0,0|1,0,2]=4 1752 B8R0.7 CC=CCNCC(C)O 34a_100000210904_100000070051 [1,0,0,0,0,0|1,0,2]=4 1753 B8R0.7 CC=CCSCC(C)O 62a_100000070051_100011218427 [1,0,0,0,0,0|1,0,2]=4 1754 B8R0.7 CC=CCSCC(C)O 62a_100011218427_100000070051 [1,0,0,0,0,0|1,0,2]=4 1755 B8R0.7 CC=CCSC[C@@H](C)O 62a_100000070051_100009817552 [1,0,0,0,0,0|1,0,2]=4 1756 B8R0.7 CC=CCSC[C@@H](C)O 62a_100009817552_100000070051 [1,0,0,0,0,0|1,0,2]=4 1757 B8R0.7 CCC=NNCC(C)O 4a_200000730056_100000210100 [1,0,0,0,0,0|2,0,1]=4 1758 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [1,0,0,0,0,0|0,0,2]=3 1759 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [1,0,0,0,0,0|0,0,2]=3 1760 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [1,0,0,0,0,0|0,0,2]=3 1761 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [1,0,0,0,0,0|2,0,0]=3 1762 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [1,0,0,0,0,0|2,0,0]=3 1763 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [1,0,0,0,0,0|2,0,0]=3 1764 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [1,0,0,0,0,0|2,0,0]=3 1765 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [1,0,0,0,0,0|2,0,0]=3 1766 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [1,0,0,0,0,0|2,0,0]=3 1767 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [1,0,0,0,0,0|1,0,2]=4 1768 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [1,0,0,0,0,0|1,0,2]=4 1769 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [1,0,0,0,0,0|1,0,2]=4 1770 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [1,0,0,0,0,0|1,0,2]=4 1771 B8R0.7 CCCCCNC(C)C 2230a_100000209983_100000210206 [1,0,0,0,0,0|2,0,0]=3 1772 B8R0.7 CCCCCNC(C)C 2230a_100138425928_100000210326 [1,0,0,0,0,0|2,0,0]=3 1773 B8R0.7 CCCCCNC(C)C 34a_100138425928_100000718602 [1,0,0,0,0,0|2,0,0]=3 1774 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [1,0,0,0,0,0|2,0,0]=3 1775 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [1,0,0,0,0,0|2,0,0]=3 1776 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [1,0,0,0,0,0|2,0,0]=3 1777 B8R0.7 CCCCCSC(C)C 62a_100000210206_100000210326 [1,0,0,0,0,0|2,0,0]=3 1778 B8R0.7 CCCCCSC(C)C 62a_100000210326_100000210206 [1,0,0,0,0,0|2,0,0]=3 1779 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [1,0,0,0,0,0|1,0,2]=4 1780 B8R0.7 CCCCNCC(C)C 2230a_100000102301_100000210760 [1,0,0,0,0,0|2,0,0]=3 1781 B8R0.7 CCCCNCC(C)C 2230a_100000210953_100000210211 [1,0,0,0,0,0|2,0,0]=3 1782 B8R0.7 CCCCNCC(C)C 270004a_100000102301_100000210432 [1,0,0,0,0,0|2,0,0]=3 1783 B8R0.7 CCCCNCC(C)C 34a_100000210953_100000210210 [1,0,0,0,0,0|2,0,0]=3 1784 B8R0.7 CCCCNCC(C)C 7a_106832991798_100000210760 [1,0,0,0,0,0|2,0,0]=3 1785 B8R0.7 CCCCNCC(C)O 2230a_100000102301_100011218427 [1,0,0,0,0,0|1,0,0]=2 1786 B8R0.7 CCCCNCC(C)O 2230a_100000210904_100000210211 [1,0,0,0,0,0|1,0,0]=2 1787 B8R0.7 CCCCNCC(C)O 34a_100000210904_100000210210 [1,0,0,0,0,0|1,0,0]=2 1788 B8R0.7 CCCCNCC(C)O 7a_106832991798_100011218427 [1,0,0,0,0,0|1,0,0]=2 1789 B8R0.7 CCCCNCC(F)F 2230a_100000102301_100011934356 [1,0,0,0,0,0|3,0,0]=4 1790 B8R0.7 CCCCNCC(F)F 34a_100000765723_100000210210 [1,0,0,0,0,0|3,0,0]=4 1791 B8R0.7 CCCCNCC(F)F 7a_106832991798_100011934356 [1,0,0,0,0,0|3,0,0]=4 1792 B8R0.7 CCCCNC[C@@H](C)O 2230a_100000102301_100009817552 [1,0,0,0,0,0|1,0,0]=2 1793 B8R0.7 CCCCNC[C@@H](C)O 7a_106832991798_100009817552 [1,0,0,0,0,0|1,0,0]=2 1794 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [1,0,0,0,0,0|1,0,2]=4 1795 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [1,0,0,0,0,0|1,0,2]=4 1796 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [1,0,0,0,0,0|1,0,2]=4 1797 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [1,0,0,0,0,0|1,0,2]=4 1798 B8R0.7 CCCCOCC(C)Br 34a_100012180447_100000210210 [1,0,0,0,0,0|2,0,0]=3 1799 B8R0.7 CCCCOCC(C)C 34a_100000210227_100000210624 [1,0,0,0,0,0|2,0,0]=3 1800 B8R0.7 CCCCOCC(C)C 34a_100000210257_100000210210 [1,0,0,0,0,0|2,0,0]=3 1801 B8R0.7 CCCCOCC(C)C 7a_100000210227_100000210760 [1,0,0,0,0,0|2,0,0]=3 1802 B8R0.7 CCCCOCC(C)F 34a_100015925927_100000210210 [1,0,0,0,0,0|2,0,0]=3 1803 B8R0.7 CCCCOCC(C)O 34a_100000210227_100011218427 [1,0,0,0,0,0|1,0,0]=2 1804 B8R0.7 CCCCOCC(C)O 7a_100000210227_100011218427 [1,0,0,0,0,0|1,0,0]=2 1805 B8R0.7 CCCCOCC(F)F 34a_100000210227_100011934356 [1,0,0,0,0,0|3,0,0]=4 1806 B8R0.7 CCCCOCC(F)F 34a_100000743014_100000210210 [1,0,0,0,0,0|3,0,0]=4 1807 B8R0.7 CCCCOCC(F)F 7a_100000210227_100011934356 [1,0,0,0,0,0|3,0,0]=4 1808 B8R0.7 CCCCOCN(C)C 2230a_100102631434_100011995733 [1,0,0,0,0,0|3,0,0]=4 1809 B8R0.7 CCCCOCN(C)C 269982a_100102631434_100011995733 [1,0,0,0,0,0|3,0,0]=4 1810 B8R0.7 CCCCOC[C@@H](C)Cl 34a_100016084084_100000210210 [1,0,0,0,0,0|2,0,0]=3 1811 B8R0.7 CCCCOC[C@@H](C)N 34a_100000737577_100000210210 [1,0,0,0,0,0|2,0,0]=3 1812 B8R0.7 CCCCOC[C@@H](C)O 34a_100000210227_100009817552 [1,0,0,0,0,0|1,0,0]=2 1813 B8R0.7 CCCCOC[C@@H](C)O 7a_100000210227_100009817552 [1,0,0,0,0,0|1,0,0]=2 1814 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [1,0,0,0,0,0|1,0,2]=4 1815 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [1,0,0,0,0,0|1,0,2]=4 1816 B8R0.7 CCCCSCC(C)C 62a_100000210211_100000210760 [1,0,0,0,0,0|2,0,0]=3 1817 B8R0.7 CCCCSCC(C)C 62a_100000210624_100000210210 [1,0,0,0,0,0|2,0,0]=3 1818 B8R0.7 CCCCSCC(C)O 62a_100000210211_100011218427 [1,0,0,0,0,0|1,0,0]=2 1819 B8R0.7 CCCCSCC(C)O 62a_100011218427_100000210210 [1,0,0,0,0,0|1,0,0]=2 1820 B8R0.7 CCCCSCC(F)F 62a_100000210211_100011934356 [1,0,0,0,0,0|3,0,0]=4 1821 B8R0.7 CCCCSCC(F)F 62a_100011934356_100000210210 [1,0,0,0,0,0|3,0,0]=4 1822 B8R0.7 CCCCSC[C@@H](C)O 62a_100000210211_100009817552 [1,0,0,0,0,0|1,0,0]=2 1823 B8R0.7 CCCCSC[C@@H](C)O 62a_100009817552_100000210210 [1,0,0,0,0,0|1,0,0]=2 1824 B8R0.7 CCCNCCC(C)C 269862a_100020643023_100000185833 [1,0,0,0,0,0|2,0,0]=3 1825 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [1,0,0,0,0,0|1,0,0]=2 1826 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [1,0,0,0,0,0|1,0,2]=4 1827 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [1,0,0,0,0,0|1,0,2]=4 1828 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [1,0,0,0,0,0|1,0,2]=4 1829 B8R0.7 CCCOCCC(C)Br 34a_100009893172_100000210303 [1,0,0,0,0,0|2,0,0]=3 1830 B8R0.7 CCCOCCC(C)C 34a_100000210254_100000210303 [1,0,0,0,0,0|2,0,0]=3 1831 B8R0.7 CCCOCCC(C)C 34a_100000210258_100000210312 [1,0,0,0,0,0|2,0,0]=3 1832 B8R0.7 CCCOCCC(C)C 7a_100000210254_100000210303 [1,0,0,0,0,0|2,0,0]=3 1833 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [1,0,0,0,0,0|1,0,0]=2 1834 B8R0.7 CCCOCCC(F)F 34a_100103093639_100000210303 [1,0,0,0,0,0|3,0,0]=4 1835 B8R0.7 CCCOCCN(C)C 2230a_100102631434_100011215938 [1,0,0,0,0,0|3,0,0]=4 1836 B8R0.7 CCCOCCN(C)C 269982a_100102631434_100011215938 [1,0,0,0,0,0|3,0,0]=4 1837 B8R0.7 CCCOCC[C@@H](C)N 34a_100000706166_100000210303 [1,0,0,0,0,0|2,0,0]=3 1838 B8R0.7 CCCOCOC(C)C 34a_100000210258_100000709892 [1,0,0,0,0,0|3,0,0]=4 1839 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [1,0,0,0,0,0|1,0,2]=4 1840 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [1,0,0,0,0,0|1,0,2]=4 1841 B8R0.7 CCCSCCC(C)C 62a_100000210303_100000210312 [1,0,0,0,0,0|2,0,0]=3 1842 B8R0.7 CCCSCCC(C)C 62a_100000210312_100000210303 [1,0,0,0,0,0|2,0,0]=3 1843 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [1,0,0,0,0,0|1,0,0]=2 1844 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [1,0,0,0,0,0|1,0,0]=2 1845 B8R0.7 CCCSCCN(C)C 62a_100000210303_100000755713 [1,0,0,0,0,0|3,0,0]=4 1846 B8R0.7 CCCSCOC(C)C 62a_100000210303_100000709892 [1,0,0,0,0,0|3,0,0]=4 1847 B8R0.7 CCCSCOC(C)C 62a_100000709892_100000210303 [1,0,0,0,0,0|3,0,0]=4 1848 B8R0.7 CCNCCCC(C)C 2230a_100015525214_100011214892 [1,0,0,0,0,0|2,0,0]=3 1849 B8R0.7 CCNCCCC(C)C 2230a_200000737386_100000210202 [1,0,0,0,0,0|2,0,0]=3 1850 B8R0.7 CCNCCCC(C)C 34a_200000737386_100000210202 [1,0,0,0,0,0|2,0,0]=3 1851 B8R0.7 CCNCCCC(C)O 2230a_100015525214_200000718107 [1,0,0,0,0,0|1,0,0]=2 1852 B8R0.7 CCNCCCS(=O)C 2230a_200000753449_100000210202 [1,0,0,0,0,0|2,0,1]=4 1853 B8R0.7 CCNCCOC(C)C 2230a_100000701111_100000210202 [1,0,0,0,0,0|3,0,0]=4 1854 B8R0.7 CCNCCOC(C)C 2230a_100015525214_100000211751 [1,0,0,0,0,0|3,0,0]=4 1855 B8R0.7 CCNCCOC(C)C 34a_100000701111_100000210202 [1,0,0,0,0,0|3,0,0]=4 1856 B8R0.7 CCNCCSC(C)C 2230a_100000731138_100000210202 [1,0,0,0,0,0|3,0,0]=4 1857 B8R0.7 CCNCCSC(C)C 2230a_100015525214_100000730970 [1,0,0,0,0,0|3,0,0]=4 1858 B8R0.7 CCNCCSC(C)C 34a_100000731138_100000210202 [1,0,0,0,0,0|3,0,0]=4 1859 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [1,0,0,0,0,0|1,0,2]=4 1860 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [1,0,0,0,0,0|1,0,2]=4 1861 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [1,0,0,0,0,0|1,0,2]=4 1862 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [1,0,0,0,0,0|1,0,2]=4 1863 B8R0.7 CCOCCCC(C)C 34a_100000210774_100000210202 [1,0,0,0,0,0|2,0,0]=3 1864 B8R0.7 CCOCCCC(C)C 34a_100121572206_100011214892 [1,0,0,0,0,0|2,0,0]=3 1865 B8R0.7 CCOCCCC(C)C 7a_100000210774_100000210202 [1,0,0,0,0,0|2,0,0]=3 1866 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [1,0,0,0,0,0|1,0,0]=2 1867 B8R0.7 CCOCCCN(C)C 2230a_100102631434_100012232248 [1,0,0,0,0,0|3,0,0]=4 1868 B8R0.7 CCOCCCN(C)C 269982a_100102631434_100012232248 [1,0,0,0,0,0|3,0,0]=4 1869 B8R0.7 CCOCCNC(C)C 2230a_100138425928_100011215890 [1,0,0,0,0,0|3,0,0]=4 1870 B8R0.7 CCOCCNC(C)C 2230a_102516460346_100000210206 [1,0,0,0,0,0|3,0,0]=4 1871 B8R0.7 CCOCCNC(C)C 34a_100000224655_100000210202 [1,0,0,0,0,0|3,0,0]=4 1872 B8R0.7 CCOCCNC(C)C 34a_100138425928_100000210147 [1,0,0,0,0,0|3,0,0]=4 1873 B8R0.7 CCOCCNC(C)C 34a_102516460346_100000210206 [1,0,0,0,0,0|3,0,0]=4 1874 B8R0.7 CCOCCOC(C)C 34a_100000210136_100000210206 [1,0,0,0,0,0|3,0,0]=4 1875 B8R0.7 CCOCCOC(C)C 34a_100000211219_100000210202 [1,0,0,0,0,0|3,0,0]=4 1876 B8R0.7 CCOCCOC(C)C 34a_100000212225_100000210147 [1,0,0,0,0,0|3,0,0]=4 1877 B8R0.7 CCOCCOC(C)C 34a_100121572206_100000211751 [1,0,0,0,0,0|3,0,0]=4 1878 B8R0.7 CCOCCOC(C)C 7a_100000210136_100000210206 [1,0,0,0,0,0|3,0,0]=4 1879 B8R0.7 CCOCCOC(C)C 7a_100000211219_100000210202 [1,0,0,0,0,0|3,0,0]=4 1880 B8R0.7 CCOCCSC(C)C 34a_100121572206_100000730970 [1,0,0,0,0,0|3,0,0]=4 1881 B8R0.7 CCOCCSC(C)C 34a_200011212901_100000210202 [1,0,0,0,0,0|3,0,0]=4 1882 B8R0.7 CCOCCSC(C)C 62a_100000210147_100000210206 [1,0,0,0,0,0|3,0,0]=4 1883 B8R0.7 CCOCCSC(C)C 62a_100000210206_100011215890 [1,0,0,0,0,0|3,0,0]=4 1884 B8R0.7 CCOCCSC(C)C 7a_200011212901_100000210202 [1,0,0,0,0,0|3,0,0]=4 1885 B8R0.7 CCOCSCC(C)C 62a_100000210624_100000739092 [1,0,0,0,0,0|3,0,0]=4 1886 B8R0.7 CCOCSCC(C)C 62a_100000739092_100000210760 [1,0,0,0,0,0|3,0,0]=4 1887 B8R0.7 CCOCSCC(C)O 62a_100000739092_100011218427 [1,0,0,0,0,0|2,0,0]=3 1888 B8R0.7 CCOCSCC(C)O 62a_100011218427_100000739092 [1,0,0,0,0,0|2,0,0]=3 1889 B8R0.7 CCOCSC[C@@H](C)O 62a_100000739092_100009817552 [1,0,0,0,0,0|2,0,0]=3 1890 B8R0.7 CCOCSC[C@@H](C)O 62a_100009817552_100000739092 [1,0,0,0,0,0|2,0,0]=3 1891 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [1,0,0,0,0,0|1,0,2]=4 1892 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [1,0,0,0,0,0|1,0,2]=4 1893 B8R0.7 CCSCCCC(C)C 62a_100000210202_100011214892 [1,0,0,0,0,0|2,0,0]=3 1894 B8R0.7 CCSCCCC(C)C 62a_100011214892_100000210202 [1,0,0,0,0,0|2,0,0]=3 1895 B8R0.7 CCSCCCC(C)O 62a_100000210202_200000718107 [1,0,0,0,0,0|1,0,0]=2 1896 B8R0.7 CCSCCCC(C)O 62a_200000718107_100000210202 [1,0,0,0,0,0|1,0,0]=2 1897 B8R0.7 CCSCCCN(C)C 62a_100000210202_100000757444 [1,0,0,0,0,0|3,0,0]=4 1898 B8R0.7 CCSCCNC(C)C 2230a_100000106463_100000210206 [1,0,0,0,0,0|3,0,0]=4 1899 B8R0.7 CCSCCNC(C)C 2230a_100138425928_100000757381 [1,0,0,0,0,0|3,0,0]=4 1900 B8R0.7 CCSCCNC(C)C 34a_100138425928_100000757381 [1,0,0,0,0,0|3,0,0]=4 1901 B8R0.7 CCSCCOC(C)C 34a_100000212035_100000210206 [1,0,0,0,0,0|3,0,0]=4 1902 B8R0.7 CCSCCOC(C)C 34a_100000212225_100000757381 [1,0,0,0,0,0|3,0,0]=4 1903 B8R0.7 CCSCCOC(C)C 62a_100000210202_100000211751 [1,0,0,0,0,0|3,0,0]=4 1904 B8R0.7 CCSCCOC(C)C 62a_100000211751_100000210202 [1,0,0,0,0,0|3,0,0]=4 1905 B8R0.7 CCSCCOC(C)C 7a_100000212035_100000210206 [1,0,0,0,0,0|3,0,0]=4 1906 B8R0.7 CCSCCSC(C)C 62a_100000210202_100000730970 [1,0,0,0,0,0|3,0,0]=4 1907 B8R0.7 CCSCCSC(C)C 62a_100000210206_100000757381 [1,0,0,0,0,0|3,0,0]=4 1908 B8R0.7 CCSCCSC(C)C 62a_100000730970_100000210202 [1,0,0,0,0,0|3,0,0]=4 1909 B8R0.7 CCSCCSC(C)C 62a_100000757381_100000210206 [1,0,0,0,0,0|3,0,0]=4 1910 B8R0.7 CN(C)CCCCCF 2230a_100102631434_100000729378 [1,0,0,0,0,0|3,0,0]=4 1911 B8R0.7 CN(C)CCCCCF 269982a_100102631434_100000729378 [1,0,0,0,0,0|3,0,0]=4 1912 B8R0.7 CN(C)CCCCCO 2230a_100000722520_200000210301 [1,0,0,0,0,0|3,0,0]=4 1913 B8R0.7 CN(C)CCCCCO 2230a_100102631434_100000746330 [1,0,0,0,0,0|3,0,0]=4 1914 B8R0.7 CN(C)CCCCCO 269982a_100000722520_200000210301 [1,0,0,0,0,0|3,0,0]=4 1915 B8R0.7 CN(C)CCCCCO 269982a_100102631434_100000746330 [1,0,0,0,0,0|3,0,0]=4 1916 B8R0.7 CN(C)CCCCS[13CH3] 62a_200025704644_100000690147 [1,0,0,0,0,0|3,0,0]=4 1917 B8R0.7 CN([13CH3])CCCCCO 2230a_100000722520_200025704644 [1,0,0,0,0,0|3,0,0]=4 1918 B8R0.7 CN([13CH3])CCCCCO 269982a_100000722520_200025704644 [1,0,0,0,0,0|3,0,0]=4 1919 B8R0.7 CNCCCCB(O)O 2230a_106832991635_200009817182 [1,0,0,0,0,0|2,0,0]=3 1920 B8R0.7 CNCCCCB(O)O 34a_100102657272_200009817182 [1,0,0,0,0,0|2,0,0]=3 1921 B8R0.7 CNCCCCB(O)O 7a_106832991635_200009817182 [1,0,0,0,0,0|2,0,0]=3 1922 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [1,0,0,0,0,0|1,0,2]=4 1923 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [1,0,0,0,0,0|1,0,2]=4 1924 B8R0.7 CNCCCCC(C)C 2230a_106832991635_100011216152 [1,0,0,0,0,0|2,0,0]=3 1925 B8R0.7 CNCCCCC(C)C 34a_100102657272_100011216152 [1,0,0,0,0,0|2,0,0]=3 1926 B8R0.7 CNCCCCC(C)C 7a_106832991635_100011216152 [1,0,0,0,0,0|2,0,0]=3 1927 B8R0.7 CNCCCOC(C)C 2230a_100000737246_200000210301 [1,0,0,0,0,0|3,0,0]=4 1928 B8R0.7 CNCCCOC(C)C 34a_100000213112_100000210206 [1,0,0,0,0,0|3,0,0]=4 1929 B8R0.7 CNCCCOC(C)C 34a_100000737246_200000210301 [1,0,0,0,0,0|3,0,0]=4 1930 B8R0.7 COCCCCB(O)O 34a_100138415774_200009817182 [1,0,0,0,0,0|2,0,0]=3 1931 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [1,0,0,0,0,0|1,0,2]=4 1932 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [1,0,0,0,0,0|1,0,2]=4 1933 B8R0.7 COCCCCC(C)C 34a_100011214890_200000210301 [1,0,0,0,0,0|2,0,0]=3 1934 B8R0.7 COCCCCC(C)C 34a_100138415774_100011216152 [1,0,0,0,0,0|2,0,0]=3 1935 B8R0.7 COCCCCC(C)C 7a_100011214890_200000210301 [1,0,0,0,0,0|2,0,0]=3 1936 B8R0.7 COCCCCN(C)C 2230a_100102631434_100000730899 [1,0,0,0,0,0|3,0,0]=4 1937 B8R0.7 COCCCCN(C)C 269982a_100102631434_100000730899 [1,0,0,0,0,0|3,0,0]=4 1938 B8R0.7 COCCCNC(C)C 2230a_100138425928_100000740836 [1,0,0,0,0,0|3,0,0]=4 1939 B8R0.7 COCCCNC(C)C 34a_100000182298_200000210301 [1,0,0,0,0,0|3,0,0]=4 1940 B8R0.7 COCCCNC(C)C 34a_100138425928_100000740836 [1,0,0,0,0,0|3,0,0]=4 1941 B8R0.7 COCCCNC(C)C 34a_100150723488_100000210206 [1,0,0,0,0,0|3,0,0]=4 1942 B8R0.7 COCCCOC(C)C 34a_100000212225_100000740836 [1,0,0,0,0,0|3,0,0]=4 1943 B8R0.7 COCCCOC(C)C 34a_100000740835_100000210206 [1,0,0,0,0,0|3,0,0]=4 1944 B8R0.7 COCCCSC(C)C 62a_100000210206_100000709357 [1,0,0,0,0,0|3,0,0]=4 1945 B8R0.7 COCCCSC(C)C 62a_100000709357_100000210206 [1,0,0,0,0,0|3,0,0]=4 1946 B8R0.7 COCCNCC(C)C 2230a_100000209980_100000210760 [1,0,0,0,0,0|3,0,0]=4 1947 B8R0.7 COCCNCC(C)C 2230a_100000210953_100011201679 [1,0,0,0,0,0|3,0,0]=4 1948 B8R0.7 COCCNCC(C)C 270004a_100000209980_100000210432 [1,0,0,0,0,0|3,0,0]=4 1949 B8R0.7 COCCNCC(C)C 34a_100000210953_100011201679 [1,0,0,0,0,0|3,0,0]=4 1950 B8R0.7 COCCNCC(C)C 34a_100015185251_200000210301 [1,0,0,0,0,0|3,0,0]=4 1951 B8R0.7 COCCNCC(C)O 2230a_100000209980_100011218427 [1,0,0,0,0,0|2,0,0]=3 1952 B8R0.7 COCCNCC(C)O 2230a_100000210904_100011201679 [1,0,0,0,0,0|2,0,0]=3 1953 B8R0.7 COCCNCC(C)O 34a_100000210904_100011201679 [1,0,0,0,0,0|2,0,0]=3 1954 B8R0.7 COCCNC[C@@H](C)O 2230a_100000209980_100009817552 [1,0,0,0,0,0|2,0,0]=3 1955 B8R0.7 COCCOCC(C)Br 34a_100012180447_100011201679 [1,0,0,0,0,0|3,0,0]=4 1956 B8R0.7 COCCOCC(C)C 34a_100000210237_100000210624 [1,0,0,0,0,0|3,0,0]=4 1957 B8R0.7 COCCOCC(C)C 34a_100000210257_100011201679 [1,0,0,0,0,0|3,0,0]=4 1958 B8R0.7 COCCOCC(C)C 34a_100000703358_200000210301 [1,0,0,0,0,0|3,0,0]=4 1959 B8R0.7 COCCOCC(C)C 7a_100000703358_200000210301 [1,0,0,0,0,0|3,0,0]=4 1960 B8R0.7 COCCOCC(C)F 34a_100015925927_100011201679 [1,0,0,0,0,0|3,0,0]=4 1961 B8R0.7 COCCOCC(C)O 34a_100000210237_100011218427 [1,0,0,0,0,0|2,0,0]=3 1962 B8R0.7 COCCOC[C@@H](C)Cl 34a_100016084084_100011201679 [1,0,0,0,0,0|3,0,0]=4 1963 B8R0.7 COCCOC[C@@H](C)N 34a_100000737577_100011201679 [1,0,0,0,0,0|3,0,0]=4 1964 B8R0.7 COCCOC[C@@H](C)O 34a_100000210237_100009817552 [1,0,0,0,0,0|2,0,0]=3 1965 B8R0.7 COCCSCC(C)C 34a_200000230437_200000210301 [1,0,0,0,0,0|3,0,0]=4 1966 B8R0.7 COCCSCC(C)C 62a_100000210624_100000233755 [1,0,0,0,0,0|3,0,0]=4 1967 B8R0.7 COCCSCC(C)C 62a_100000233755_100000210760 [1,0,0,0,0,0|3,0,0]=4 1968 B8R0.7 COCCSCC(C)C 7a_200000230437_200000210301 [1,0,0,0,0,0|3,0,0]=4 1969 B8R0.7 COCCSCC(C)O 62a_100000233755_100011218427 [1,0,0,0,0,0|2,0,0]=3 1970 B8R0.7 COCCSCC(C)O 62a_100011218427_100000233755 [1,0,0,0,0,0|2,0,0]=3 1971 B8R0.7 COCCSC[C@@H](C)O 62a_100000233755_100009817552 [1,0,0,0,0,0|2,0,0]=3 1972 B8R0.7 COCCSC[C@@H](C)O 62a_100009817552_100000233755 [1,0,0,0,0,0|2,0,0]=3 1973 B8R0.7 COCNCCC(C)O 2230a_200000755665_100000766300 [1,0,0,0,0,0|2,0,0]=3 1974 B8R0.7 COCSCCC(C)C 62a_100000210312_100000766300 [1,0,0,0,0,0|3,0,0]=4 1975 B8R0.7 COCSCCC(C)C 62a_100000766300_100000210312 [1,0,0,0,0,0|3,0,0]=4 1976 B8R0.7 COCSCCC(C)O 62a_100000766300_100012276601 [1,0,0,0,0,0|2,0,0]=3 1977 B8R0.7 COCSCCC(C)O 62a_100012276601_100000766300 [1,0,0,0,0,0|2,0,0]=3 1978 B8R0.7 CSCCCCB(O)O 62a_200000210301_200009817182 [1,0,0,0,0,0|2,0,0]=3 1979 B8R0.7 CSCCCCB(O)O 62a_200009817182_200000210301 [1,0,0,0,0,0|2,0,0]=3 1980 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [1,0,0,0,0,0|1,0,2]=4 1981 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [1,0,0,0,0,0|1,0,2]=4 1982 B8R0.7 CSCCCCC(C)C 62a_100011216152_200000210301 [1,0,0,0,0,0|2,0,0]=3 1983 B8R0.7 CSCCCCC(C)C 62a_200000210301_100011216152 [1,0,0,0,0,0|2,0,0]=3 1984 B8R0.7 CSCCCCN(C)C 62a_200000210301_100000690147 [1,0,0,0,0,0|3,0,0]=4 1985 B8R0.7 CSCCCNC(C)C 2230a_100000749238_100000210206 [1,0,0,0,0,0|3,0,0]=4 1986 B8R0.7 CSCCCOC(C)C 34a_100000690336_100000210206 [1,0,0,0,0,0|3,0,0]=4 1987 B8R0.7 CSCCCOC(C)C 7a_100000690336_100000210206 [1,0,0,0,0,0|3,0,0]=4 1988 B8R0.7 CSCCNCC(C)C 2230a_100000210953_100000751147 [1,0,0,0,0,0|3,0,0]=4 1989 B8R0.7 CSCCNCC(C)C 2230a_100020590264_100000210760 [1,0,0,0,0,0|3,0,0]=4 1990 B8R0.7 CSCCNCC(C)C 270004a_100020590264_100000210432 [1,0,0,0,0,0|3,0,0]=4 1991 B8R0.7 CSCCNCC(C)C 34a_100000210953_100000212216 [1,0,0,0,0,0|3,0,0]=4 1992 B8R0.7 CSCCNCC(C)O 2230a_100000210904_100000751147 [1,0,0,0,0,0|2,0,0]=3 1993 B8R0.7 CSCCNCC(C)O 2230a_100020590264_100011218427 [1,0,0,0,0,0|2,0,0]=3 1994 B8R0.7 CSCCNCC(C)O 34a_100000210904_100000212216 [1,0,0,0,0,0|2,0,0]=3 1995 B8R0.7 CSCCNC[C@@H](C)O 2230a_100020590264_100009817552 [1,0,0,0,0,0|2,0,0]=3 1996 B8R0.7 CSCCOCC(C)Br 34a_100012180447_100000212216 [1,0,0,0,0,0|3,0,0]=4 1997 B8R0.7 CSCCOCC(C)C 34a_100000210257_100000212216 [1,0,0,0,0,0|3,0,0]=4 1998 B8R0.7 CSCCOCC(C)C 34a_100000230434_100000210624 [1,0,0,0,0,0|3,0,0]=4 1999 B8R0.7 CSCCOCC(C)C 7a_100000230434_100000210760 [1,0,0,0,0,0|3,0,0]=4 2000 B8R0.7 CSCCOCC(C)F 34a_100015925927_100000212216 [1,0,0,0,0,0|3,0,0]=4 2001 B8R0.7 CSCCOCC(C)O 34a_100000230434_100011218427 [1,0,0,0,0,0|2,0,0]=3 2002 B8R0.7 CSCCOCC(C)O 7a_100000230434_100011218427 [1,0,0,0,0,0|2,0,0]=3 2003 B8R0.7 CSCCOC[C@@H](C)Cl 34a_100016084084_100000212216 [1,0,0,0,0,0|3,0,0]=4 2004 B8R0.7 CSCCOC[C@@H](C)N 34a_100000737577_100000212216 [1,0,0,0,0,0|3,0,0]=4 2005 B8R0.7 CSCCOC[C@@H](C)O 34a_100000230434_100009817552 [1,0,0,0,0,0|2,0,0]=3 2006 B8R0.7 CSCCOC[C@@H](C)O 7a_100000230434_100009817552 [1,0,0,0,0,0|2,0,0]=3 2007 B8R0.7 CSCCSCC(C)C 62a_100000210624_100000751147 [1,0,0,0,0,0|3,0,0]=4 2008 B8R0.7 CSCCSCC(C)C 62a_100000212216_100000210760 [1,0,0,0,0,0|3,0,0]=4 2009 B8R0.7 CSCCSCC(C)O 62a_100000212216_100011218427 [1,0,0,0,0,0|2,0,0]=3 2010 B8R0.7 CSCCSCC(C)O 62a_100011218427_100000751147 [1,0,0,0,0,0|2,0,0]=3 2011 B8R0.7 CSCCSC[C@@H](C)O 62a_100000212216_100009817552 [1,0,0,0,0,0|2,0,0]=3 2012 B8R0.7 CSCCSC[C@@H](C)O 62a_100009817552_100000751147 [1,0,0,0,0,0|2,0,0]=3 2013 B8R0.7 CSCNCCC(C)O 2230a_200000755665_100011218213 [1,0,0,0,0,0|2,0,0]=3 2014 B8R0.7 CSCOCCC(C)Br 34a_100009893172_100011218213 [1,0,0,0,0,0|3,0,0]=4 2015 B8R0.7 CSCOCCC(C)C 34a_100000210254_100011218213 [1,0,0,0,0,0|3,0,0]=4 2016 B8R0.7 CSCOCC[C@@H](C)N 34a_100000706166_100011218213 [1,0,0,0,0,0|3,0,0]=4 2017 B8R0.7 CSCSCCC(C)C 62a_100000210312_100011218213 [1,0,0,0,0,0|3,0,0]=4 2018 B8R0.7 CSCSCCC(C)C 62a_100011218213_100000210312 [1,0,0,0,0,0|3,0,0]=4 2019 B8R0.7 CSCSCCC(C)O 62a_100011218213_100012276601 [1,0,0,0,0,0|2,0,0]=3 2020 B8R0.7 CSCSCCC(C)O 62a_100012276601_100011218213 [1,0,0,0,0,0|2,0,0]=3 2021 B8R0.7 C[C@@H](Cl)COCCCF 34a_100016084084_100011934791 [1,0,0,0,0,0|3,0,0]=4 2022 B8R0.7 C[C@@H](Cl)COCCCO 34a_100016084084_100000230001 [1,0,0,0,0,0|3,0,0]=4 2023 B8R0.7 C[C@@H](N)CCOCCF 34a_100000706166_100011217306 [1,0,0,0,0,0|3,0,0]=4 2024 B8R0.7 C[C@@H](N)CCOCCO 34a_100000706166_100000211926 [1,0,0,0,0,0|3,0,0]=4 2025 B8R0.7 C[C@@H](N)COCCCF 34a_100000737577_100011934791 [1,0,0,0,0,0|3,0,0]=4 2026 B8R0.7 C[C@@H](N)COCCCO 34a_100000737577_100000230001 [1,0,0,0,0,0|3,0,0]=4 2027 B8R0.7 C[C@@H](O)CNCCCF 2230a_100015189416_100009817552 [1,0,0,0,0,0|2,0,0]=3 2028 B8R0.7 C[C@@H](O)CNCCCF 34a_100015189416_100009817552 [1,0,0,0,0,0|2,0,0]=3 2029 B8R0.7 C[C@@H](O)COCCCBr 34a_100011217188_100009817552 [1,0,0,0,0,0|2,0,0]=3 2030 B8R0.7 C[C@@H](O)COCCCCl 34a_100000230001_100009817552 [1,0,0,0,0,0|2,0,0]=3 2031 B8R0.7 C[C@@H](O)COCCCF 34a_100000759539_100009817552 [1,0,0,0,0,0|2,0,0]=3 2032 B8R0.7 C[C@@H](O)COCCCN 34a_100000182051_100009817552 [1,0,0,0,0,0|2,0,0]=3 2033 B8R0.7 C[C@@H](O)COCCON 34a_100000700252_100009817552 [1,0,0,0,0,0|3,0,0]=4 2034 B8R0.7 C[C@@H](O)CSCCC#N 62a_100009817552_100011215226 [1,0,0,0,0,0|2,0,1]=4 2035 B8R0.7 C[C@@H](O)CSCCC#N 62a_100011215226_100009817552 [1,0,0,0,0,0|2,0,1]=4 2036 B8R0.7 C[C@@H](O)CSCCCF 62a_100009817552_100011934791 [1,0,0,0,0,0|2,0,0]=3 2037 B8R0.7 C[C@@H](O)CSCCCF 62a_100011934791_100009817552 [1,0,0,0,0,0|2,0,0]=3 2038 B8R0.7 C[C@@H](O)CSCCCO 62a_100009817552_100011215043 [1,0,0,0,0,0|2,0,0]=3 2039 B8R0.7 C[C@@H](O)CSCCCO 62a_100011215043_100009817552 [1,0,0,0,0,0|2,0,0]=3 2040 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [1,0,0,0,0,0|1,0,2]=4 2041 B8R0.7 [13CH3]SCCCCB(O)O 62a_200009817182_200025704644 [1,0,0,0,0,0|2,0,0]=3 2042 B8R0.7 [13CH3]SCCCCB(O)O 62a_200025704644_200009817182 [1,0,0,0,0,0|2,0,0]=3 2043 B10R0.1 C#CCC(=O)CCCCCC 1458a_100011220946_100000210757 [0,1,0,0,0,0|1,0,2]=4 2044 B10R0.1 C#CCC(=O)CCCCCC 1458a_100102632555_100000184674 [0,1,0,0,0,0|1,0,2]=4 2045 B10R0.1 C#CCC(C)OCCCCC 34a_100000685586_100000718602 [0,1,0,0,0,0|3,0,0]=4 2046 B10R0.1 C#CCC(C)OCCCCC 7a_100000685586_100000210326 [0,1,0,0,0,0|3,0,0]=4 2047 B10R0.1 C#CCCNCC(O)COC 2230a_100000756049_100000688953 [0,1,0,0,0,0|1,0,2]=4 2048 B10R0.1 C#CCCNCC(O)COC 34a_100000755551_100011215053 [0,1,0,0,0,0|1,0,2]=4 2049 B10R0.1 C#CCCNCC(O)COC 34a_100000756049_100000688953 [0,1,0,0,0,0|1,0,2]=4 2050 B10R0.1 C#CCCOCC(O)COC 34a_100011215631_100011215053 [0,1,0,0,0,0|1,0,2]=4 2051 B10R0.1 C#CCCSCC(O)COC 62a_100000688953_100011215053 [0,1,0,0,0,0|1,0,2]=4 2052 B10R0.1 C#CCCSCC(O)COC 62a_100011215053_100000688953 [0,1,0,0,0,0|1,0,2]=4 2053 B10R0.1 C#CCN(C)CCCCCC 2230a_100000225692_100000210314 [0,1,0,0,0,0|3,0,0]=4 2054 B10R0.1 C#CCN(C)CCCCCC 2230a_106256046315_100000038162 [0,1,0,0,0,0|3,0,0]=4 2055 B10R0.1 C#CCN(C)CCCCCC 34a_100000225692_100000210314 [0,1,0,0,0,0|3,0,0]=4 2056 B10R0.1 C/C=C/CNCC(O)COC 34a_100000756049_100102629194 [0,1,0,0,0,0|1,0,2]=4 2057 B10R0.1 C/C=C/COCC(O)COC 34a_100016270725_100011215053 [0,1,0,0,0,0|1,0,2]=4 2058 B10R0.1 C/C=C/CSCC(O)COC 62a_100011215053_100102629194 [0,1,0,0,0,0|1,0,2]=4 2059 B10R0.1 C/C=C/CSCC(O)COC 62a_100102629194_100011215053 [0,1,0,0,0,0|1,0,2]=4 2060 B10R0.1 C=CCC(=O)CCCCCC 1458a_100000210193_100000210757 [0,1,0,0,0,0|1,0,2]=4 2061 B10R0.1 C=CCC(=O)CCCCCC 1458a_100102632555_100000210623 [0,1,0,0,0,0|1,0,2]=4 2062 B10R0.1 C=CCC(C)COCCCC 34a_100009832082_100000210210 [0,1,0,0,0,0|3,0,0]=4 2063 B10R0.1 C=CCC(C)COCCCC 7a_100009832082_100000210211 [0,1,0,0,0,0|3,0,0]=4 2064 B10R0.1 C=CCCNCC(O)COC 2230a_100000756049_100000754431 [0,1,0,0,0,0|1,0,2]=4 2065 B10R0.1 C=CCCNCC(O)COC 34a_100000756049_100000754431 [0,1,0,0,0,0|1,0,2]=4 2066 B10R0.1 C=CCCOCC(O)COC 34a_100011205117_100011215053 [0,1,0,0,0,0|1,0,2]=4 2067 B10R0.1 C=CCCSCC(O)COC 62a_100000754431_100011215053 [0,1,0,0,0,0|1,0,2]=4 2068 B10R0.1 C=CCCSCC(O)COC 62a_100011215053_100000754431 [0,1,0,0,0,0|1,0,2]=4 2069 B10R0.1 C=CCN(C)CCCCCC 2230a_100000225617_100000210314 [0,1,0,0,0,0|3,0,0]=4 2070 B10R0.1 C=CCN(C)CCCCCC 2230a_106256046315_100000210623 [0,1,0,0,0,0|3,0,0]=4 2071 B10R0.1 C=CCN(C)CCCCCC 269982a_100000225617_100000210757 [0,1,0,0,0,0|3,0,0]=4 2072 B10R0.1 C=CCN(C)CCCCCC 269982a_106256046315_100000210623 [0,1,0,0,0,0|3,0,0]=4 2073 B10R0.1 C=CC[C@@H](C)OCCCCC 34a_100000731007_100000718602 [0,1,0,0,0,0|3,0,0]=4 2074 B10R0.1 C=CC[C@@H](C)OCCCCC 7a_100000731007_100000210326 [0,1,0,0,0,0|3,0,0]=4 2075 B10R0.1 C=CC[C@@H](N)COCCCC 34a_100020615467_100000210210 [0,1,0,0,0,0|3,0,0]=4 2076 B10R0.1 CC#CCNCC(O)COC 2230a_100000756049_100000748600 [0,1,0,0,0,0|1,0,2]=4 2077 B10R0.1 CC#CCNCC(O)COC 34a_100000685387_100011215053 [0,1,0,0,0,0|1,0,2]=4 2078 B10R0.1 CC#CCNCC(O)COC 34a_100000756049_100000748600 [0,1,0,0,0,0|1,0,2]=4 2079 B10R0.1 CC#CCOCC(O)COC 34a_100000761923_100011215053 [0,1,0,0,0,0|1,0,2]=4 2080 B10R0.1 CC#CCSCC(O)COC 62a_100000748600_100011215053 [0,1,0,0,0,0|1,0,2]=4 2081 B10R0.1 CC#CCSCC(O)COC 62a_100011215053_100000748600 [0,1,0,0,0,0|1,0,2]=4 2082 B10R0.1 CC(CCO)NCCCCO 2230a_100000750430_100009893172 [0,1,0,0,0,0|3,0,0]=4 2083 B10R0.1 CC(CCO)NCCCCO 34a_100000750430_100009893172 [0,1,0,0,0,0|3,0,0]=4 2084 B10R0.1 CC(CCO)OCCCCBr 34a_100011216708_100009893172 [0,1,0,0,0,0|3,0,0]=4 2085 B10R0.1 CC(CCO)OCCCCCl 34a_100000210776_100009893172 [0,1,0,0,0,0|3,0,0]=4 2086 B10R0.1 CC(CCO)OCCCCCl 7a_100000210776_100009893172 [0,1,0,0,0,0|3,0,0]=4 2087 B10R0.1 CC(CCO)OCCCCF 34a_100011995726_100009893172 [0,1,0,0,0,0|3,0,0]=4 2088 B10R0.1 CC(CCO)OCCCCF 7a_100011995726_100009893172 [0,1,0,0,0,0|3,0,0]=4 2089 B10R0.1 CC(CCO)OCCCCI 34a_200012148704_100009893172 [0,1,0,0,0,0|3,0,0]=4 2090 B10R0.1 CC(CCO)OCCCCN 34a_100000750430_100009893172 [0,1,0,0,0,0|3,0,0]=4 2091 B10R0.1 CC(CCO)SCCCCF 62a_100000729493_100009893172 [0,1,0,0,0,0|3,0,0]=4 2092 B10R0.1 CC(CCO)SCCCCF 62a_100009893172_100000729493 [0,1,0,0,0,0|3,0,0]=4 2093 B10R0.1 CC(CCO)SCCCCO 62a_100000210776_100009893172 [0,1,0,0,0,0|3,0,0]=4 2094 B10R0.1 CC(CCO)SCCCCO 62a_100009893172_100000210776 [0,1,0,0,0,0|3,0,0]=4 2095 B10R0.1 CC=CCNCC(O)COC 2230a_100000756049_100000070051 [0,1,0,0,0,0|1,0,2]=4 2096 B10R0.1 CC=CCNCC(O)COC 34a_100000756049_100000070051 [0,1,0,0,0,0|1,0,2]=4 2097 B10R0.1 CC=CCSCC(O)COC 62a_100000070051_100011215053 [0,1,0,0,0,0|1,0,2]=4 2098 B10R0.1 CC=CCSCC(O)COC 62a_100011215053_100000070051 [0,1,0,0,0,0|1,0,2]=4 2099 B10R0.1 CCCC(C)CCCOCC 34a_100011713154_100000210202 [0,1,0,0,0,0|3,0,0]=4 2100 B10R0.1 CCCC(C)CCCOCC 7a_100011713154_100000210202 [0,1,0,0,0,0|3,0,0]=4 2101 B10R0.1 CCCCCCC(=O)CC#N 1458a_100051588842_100000210757 [0,1,0,0,0,0|1,0,2]=4 2102 B10R0.1 CCCCCCC(=O)CC#N 1458a_100102632555_100011214920 [0,1,0,0,0,0|1,0,2]=4 2103 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [0,1,0,0,0,0|1,0,2]=4 2104 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [0,1,0,0,0,0|1,0,2]=4 2105 B10R0.1 CCCCCCC(=O)CCF 1458a_100102632555_100011217306 [0,1,0,0,0,0|1,0,2]=4 2106 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [0,1,0,0,0,0|0,0,2]=3 2107 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [0,1,0,0,0,0|0,0,2]=3 2108 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [0,1,0,0,0,0|0,0,2]=3 2109 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [0,1,0,0,0,0|0,1,2]=4 2110 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [0,1,0,0,0,0|1,0,2]=4 2111 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [0,1,0,0,0,0|1,0,2]=4 2112 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [0,1,0,0,0,0|1,0,2]=4 2113 B10R0.1 CCCCCCC(C)NCC 2230a_100000210919_100000210202 [0,1,0,0,0,0|2,0,0]=3 2114 B10R0.1 CCCCCCC(C)NCC 2230a_100015525214_100011215978 [0,1,0,0,0,0|2,0,0]=3 2115 B10R0.1 CCCCCCC(C)NCC 270004a_100015525214_100000210826 [0,1,0,0,0,0|2,0,0]=3 2116 B10R0.1 CCCCCCC(C)NCC 34a_100000210919_100000210202 [0,1,0,0,0,0|2,0,0]=3 2117 B10R0.1 CCCCCCC(C)NCF 34a_100000210919_100015361967 [0,1,0,0,0,0|2,0,0]=3 2118 B10R0.1 CCCCCCC(C)OCC 34a_100000210265_100000210202 [0,1,0,0,0,0|2,0,0]=3 2119 B10R0.1 CCCCCCC(C)OCC 34a_100121572206_100011215978 [0,1,0,0,0,0|2,0,0]=3 2120 B10R0.1 CCCCCCC(C)OCC 7a_100000210265_100000210202 [0,1,0,0,0,0|2,0,0]=3 2121 B10R0.1 CCCCCCC(C)OCF 34a_100000210265_100015361967 [0,1,0,0,0,0|2,0,0]=3 2122 B10R0.1 CCCCCCC(C)OCF 7a_100000210265_100015361967 [0,1,0,0,0,0|2,0,0]=3 2123 B10R0.1 CCCCCCC(C)SCC 62a_100000210202_100011215978 [0,1,0,0,0,0|2,0,0]=3 2124 B10R0.1 CCCCCCC(C)SCC 62a_100011215978_100000210202 [0,1,0,0,0,0|2,0,0]=3 2125 B10R0.1 CCCCCCC(C)SCF 62a_100011215978_100015361967 [0,1,0,0,0,0|2,0,0]=3 2126 B10R0.1 CCCCCCC(C)SCF 62a_100015361967_100011215978 [0,1,0,0,0,0|2,0,0]=3 2127 B10R0.1 CCCCCCN(C)CC#N 2230a_100000748184_100000210314 [0,1,0,0,0,0|3,0,0]=4 2128 B10R0.1 CCCCCCN(C)CC#N 2230a_106256046315_100011215382 [0,1,0,0,0,0|3,0,0]=4 2129 B10R0.1 CCCCCCN(C)CC#N 269982a_106256046315_100011214920 [0,1,0,0,0,0|3,0,0]=4 2130 B10R0.1 CCCCCCN(C)CC=O 2230a_106256046315_200015260668 [0,1,0,0,0,0|2,0,1]=4 2131 B10R0.1 CCCCCCN(C)CC=O 269982a_106256046315_200015260668 [0,1,0,0,0,0|2,0,1]=4 2132 B10R0.1 CCCCCCN(C)CCC 2230a_100000747261_100000210314 [0,1,0,0,0,0|3,0,0]=4 2133 B10R0.1 CCCCCCN(C)CCC 2230a_106256046315_100000210303 [0,1,0,0,0,0|3,0,0]=4 2134 B10R0.1 CCCCCCN(C)CCC 269982a_100000747261_100000210757 [0,1,0,0,0,0|3,0,0]=4 2135 B10R0.1 CCCCCCN(C)CCC 269982a_106256046315_100000210303 [0,1,0,0,0,0|3,0,0]=4 2136 B10R0.1 CCCCCCN(C)CCF 2230a_106256046315_100011217306 [0,1,0,0,0,0|3,0,0]=4 2137 B10R0.1 CCCCCCN(C)CCF 269982a_106256046315_100011217306 [0,1,0,0,0,0|3,0,0]=4 2138 B10R0.1 CCCCCCN(C)CCO 2230a_100000210263_100000210314 [0,1,0,0,0,0|2,0,0]=3 2139 B10R0.1 CCCCCCN(C)CCO 2230a_106256046315_100000211926 [0,1,0,0,0,0|2,0,0]=3 2140 B10R0.1 CCCCCCN(C)CCO 269982a_100000210263_100000210757 [0,1,0,0,0,0|2,0,0]=3 2141 B10R0.1 CCCCCCN(C)CCO 269982a_106256046315_100000211926 [0,1,0,0,0,0|2,0,0]=3 2142 B10R0.1 CCCCCCN(C)COC 2230a_106256046315_100000766300 [0,1,0,0,0,0|2,0,0]=3 2143 B10R0.1 CCCCCCN(C)COC 269982a_106256046315_100000766300 [0,1,0,0,0,0|2,0,0]=3 2144 B10R0.1 CCCCCCN(C)CSC 2230a_106256046315_100011218213 [0,1,0,0,0,0|2,1,0]=4 2145 B10R0.1 CCCCCCN(C)CSC 269982a_106256046315_100011218213 [0,1,0,0,0,0|2,1,0]=4 2146 B10R0.1 CCCCCNC(=O)CCO 240690a_100000209983_100011216618 [0,1,0,0,0,0|1,0,2]=4 2147 B10R0.1 CCCCCNC(=O)COC 11a_100000209983_100000210968 [0,1,0,0,0,0|1,0,2]=4 2148 B10R0.1 CCCCCNC(=O)COC 1626a_100000209983_100000210968 [0,1,0,0,0,0|1,0,2]=4 2149 B10R0.1 CCCCCNC(=O)COC 240690a_100000209983_100000210968 [0,1,0,0,0,0|1,0,2]=4 2150 B10R0.1 CCCCCNC(=O)COC 34a_100138415774_100000230301 [0,1,0,0,0,0|1,0,2]=4 2151 B10R0.1 CCCCCNC(=O)COC 527a_100000209983_100000210968 [0,1,0,0,0,0|1,0,2]=4 2152 B10R0.1 CCCCCNC(C)CC#N 2230a_100000209983_100009813641 [0,1,0,0,0,0|3,0,0]=4 2153 B10R0.1 CCCCCNC(C)CCC 2230a_100000209983_100000766640 [0,1,0,0,0,0|3,0,0]=4 2154 B10R0.1 CCCCCNC(C)CCC 2230a_100000741246_100000210326 [0,1,0,0,0,0|3,0,0]=4 2155 B10R0.1 CCCCCNC(C)CCC 270004a_100000209983_100000211909 [0,1,0,0,0,0|3,0,0]=4 2156 B10R0.1 CCCCCNC(C)CCO 2230a_100000209983_100009893172 [0,1,0,0,0,0|2,0,0]=3 2157 B10R0.1 CCCCCNC(C)COC 2230a_100000209983_100000765312 [0,1,0,0,0,0|2,0,0]=3 2158 B10R0.1 CCCCCNC(C)COC 270004a_100000209983_100000749346 [0,1,0,0,0,0|2,0,0]=3 2159 B10R0.1 CCCCCNC(C)CSC 270004a_100000209983_100011216314 [0,1,0,0,0,0|2,1,0]=4 2160 B10R0.1 CCCCCN[C@@H](C)CC#N 2230a_100016994482_100000210326 [0,1,0,0,0,0|3,0,0]=4 2161 B10R0.1 CCCCCN[C@H](C)CCO 2230a_100000706166_100000210326 [0,1,0,0,0,0|2,0,0]=3 2162 B10R0.1 CCCCCN[C@H](C)CCO 34a_100000706166_100000718602 [0,1,0,0,0,0|2,0,0]=3 2163 B10R0.1 CCCCCN[C@H](C)COC 2230a_100000764878_100000210326 [0,1,0,0,0,0|2,0,0]=3 2164 B10R0.1 CCCCCOC(C)CC#N 7a_100000210253_100009813641 [0,1,0,0,0,0|3,0,0]=4 2165 B10R0.1 CCCCCOC(C)CCBr 34a_100012276601_100000718602 [0,1,0,0,0,0|3,0,0]=4 2166 B10R0.1 CCCCCOC(C)CCC 34a_100000210253_100000766640 [0,1,0,0,0,0|3,0,0]=4 2167 B10R0.1 CCCCCOC(C)CCC 34a_100000764384_100000718602 [0,1,0,0,0,0|3,0,0]=4 2168 B10R0.1 CCCCCOC(C)CCC 7a_100000210253_100000766640 [0,1,0,0,0,0|3,0,0]=4 2169 B10R0.1 CCCCCOC(C)CCC 7a_100000764384_100000210326 [0,1,0,0,0,0|3,0,0]=4 2170 B10R0.1 CCCCCOC(C)CCO 34a_100000210253_100009893172 [0,1,0,0,0,0|2,0,0]=3 2171 B10R0.1 CCCCCOC(C)CCO 7a_100000210253_100009893172 [0,1,0,0,0,0|2,0,0]=3 2172 B10R0.1 CCCCCOC(C)COC 34a_100000210253_100000765312 [0,1,0,0,0,0|2,0,0]=3 2173 B10R0.1 CCCCCOC(C)COC 7a_100000210253_100000765312 [0,1,0,0,0,0|2,0,0]=3 2174 B10R0.1 CCCCCO[C@H](C)COC 34a_100011934205_100000718602 [0,1,0,0,0,0|2,0,0]=3 2175 B10R0.1 CCCCCSC(C)CC#N 62a_100000210326_100009813641 [0,1,0,0,0,0|3,0,0]=4 2176 B10R0.1 CCCCCSC(C)CC#N 62a_100009813641_100000210326 [0,1,0,0,0,0|3,0,0]=4 2177 B10R0.1 CCCCCSC(C)CCC 62a_100000210326_100000766640 [0,1,0,0,0,0|3,0,0]=4 2178 B10R0.1 CCCCCSC(C)CCC 62a_100000766640_100000210326 [0,1,0,0,0,0|3,0,0]=4 2179 B10R0.1 CCCCCSC(C)CCO 62a_100000210326_100009893172 [0,1,0,0,0,0|2,0,0]=3 2180 B10R0.1 CCCCCSC(C)CCO 62a_100009893172_100000210326 [0,1,0,0,0,0|2,0,0]=3 2181 B10R0.1 CCCCCSC(C)COC 62a_100000210326_100000765312 [0,1,0,0,0,0|2,0,0]=3 2182 B10R0.1 CCCCCSC(C)COC 62a_100000765312_100000210326 [0,1,0,0,0,0|2,0,0]=3 2183 B10R0.1 CCCCNCC(=O)NCO 2230a_100000102301_100000185155 [0,1,0,0,0,0|1,0,2]=4 2184 B10R0.1 CCCCNCC(=O)NCO 7a_106832991798_100000185155 [0,1,0,0,0,0|1,0,2]=4 2185 B10R0.1 CCCCNCC(C)CCC 2230a_100000102301_100011216630 [0,1,0,0,0,0|3,0,0]=4 2186 B10R0.1 CCCCNCC(C)CCC 270004a_100000102301_100000243154 [0,1,0,0,0,0|3,0,0]=4 2187 B10R0.1 CCCCNCC(C)CCC 7a_106832991798_100011216630 [0,1,0,0,0,0|3,0,0]=4 2188 B10R0.1 CCCCNCC(O)COC 2230a_100000756049_100000210211 [0,1,0,0,0,0|1,0,0]=2 2189 B10R0.1 CCCCNCC(O)COC 34a_100000756049_100000210210 [0,1,0,0,0,0|1,0,0]=2 2190 B10R0.1 CCCCNCC(O)COC 7a_106832991798_100011215053 [0,1,0,0,0,0|1,0,0]=2 2191 B10R0.1 CCCCNC[C@@H](O)CC#N 2230a_100000102301_100000001066 [0,1,0,0,0,0|2,0,0]=3 2192 B10R0.1 CCCCNC[C@@H](O)CC#N 7a_106832991798_100000001066 [0,1,0,0,0,0|2,0,0]=3 2193 B10R0.1 CCCCOCC(=O)CCO 1458a_100000757543_100000211926 [0,1,0,0,0,0|1,0,2]=4 2194 B10R0.1 CCCCOCC(=O)CCO 1458a_100011216618_100011995733 [0,1,0,0,0,0|1,0,2]=4 2195 B10R0.1 CCCCOCC(=O)COC 1458a_100000210968_100011995733 [0,1,0,0,0,0|1,0,2]=4 2196 B10R0.1 CCCCOCC(=O)NCO 34a_100000210227_100000185155 [0,1,0,0,0,0|1,0,2]=4 2197 B10R0.1 CCCCOCC(=O)NCO 7a_100000210227_100000185155 [0,1,0,0,0,0|1,0,2]=4 2198 B10R0.1 CCCCOCC(C)CCC 34a_100000210227_100011216630 [0,1,0,0,0,0|3,0,0]=4 2199 B10R0.1 CCCCOCC(C)CCC 34a_100000688023_100000210210 [0,1,0,0,0,0|3,0,0]=4 2200 B10R0.1 CCCCOCC(C)CCC 7a_100000210227_100011216630 [0,1,0,0,0,0|3,0,0]=4 2201 B10R0.1 CCCCOCC(C)CCC 7a_100000688023_100000210211 [0,1,0,0,0,0|3,0,0]=4 2202 B10R0.1 CCCCOCC(C)CCN 34a_106354213184_100000210210 [0,1,0,0,0,0|3,0,0]=4 2203 B10R0.1 CCCCOCC(C)OCC 34a_100011217071_100000210202 [0,1,0,0,0,0|3,0,0]=4 2204 B10R0.1 CCCCOCC(C)OCC 7a_100011217071_100000210202 [0,1,0,0,0,0|3,0,0]=4 2205 B10R0.1 CCCCOCC(C)OCF 34a_100011217071_100015361967 [0,1,0,0,0,0|3,0,0]=4 2206 B10R0.1 CCCCOCC(C)OCF 7a_100011217071_100015361967 [0,1,0,0,0,0|3,0,0]=4 2207 B10R0.1 CCCCOCC(N)COC 34a_100000724102_100000210210 [0,1,0,0,0,0|2,0,0]=3 2208 B10R0.1 CCCCOCC(O)COC 34a_100000210227_100011215053 [0,1,0,0,0,0|1,0,0]=2 2209 B10R0.1 CCCCOCC(O)COC 7a_100000210227_100011215053 [0,1,0,0,0,0|1,0,0]=2 2210 B10R0.1 CCCCOCN(C)CCO 2230a_100000210263_100011995733 [0,1,0,0,0,0|3,0,0]=4 2211 B10R0.1 CCCCOCN(C)CCO 269982a_100000210263_100011995733 [0,1,0,0,0,0|3,0,0]=4 2212 B10R0.1 CCCCOC[C@@H](N)CCC 34a_100000732646_100000210210 [0,1,0,0,0,0|3,0,0]=4 2213 B10R0.1 CCCCOC[C@@H](O)CC#N 7a_100000210227_100000001066 [0,1,0,0,0,0|2,0,0]=3 2214 B10R0.1 CCCCSCC(=O)CCO 1458a_100000191162_100000211926 [0,1,0,0,0,0|1,0,2]=4 2215 B10R0.1 CCCCSCC(=O)NCO 62a_100000185155_100000210210 [0,1,0,0,0,0|1,0,2]=4 2216 B10R0.1 CCCCSCC(=O)NCO 62a_100000210211_100000185155 [0,1,0,0,0,0|1,0,2]=4 2217 B10R0.1 CCCCSCC(C)CCC 62a_100000210211_100011216630 [0,1,0,0,0,0|3,0,0]=4 2218 B10R0.1 CCCCSCC(C)CCC 62a_100011216630_100000210210 [0,1,0,0,0,0|3,0,0]=4 2219 B10R0.1 CCCCSCC(O)COC 62a_100000210211_100011215053 [0,1,0,0,0,0|1,0,0]=2 2220 B10R0.1 CCCCSCC(O)COC 62a_100011215053_100000210210 [0,1,0,0,0,0|1,0,0]=2 2221 B10R0.1 CCCCSC[C@@H](O)CC#N 62a_100000001066_100000210210 [0,1,0,0,0,0|2,0,0]=3 2222 B10R0.1 CCCCSC[C@@H](O)CC#N 62a_100000210211_100000001066 [0,1,0,0,0,0|2,0,0]=3 2223 B10R0.1 CCCOCCC(=O)CCO 1458a_100011216618_100011215938 [0,1,0,0,0,0|1,0,2]=4 2224 B10R0.1 CCCOCCC(=O)COC 1458a_100000210968_100011215938 [0,1,0,0,0,0|1,0,2]=4 2225 B10R0.1 CCCOCCC(C)CCC 34a_100011217855_100000210303 [0,1,0,0,0,0|3,0,0]=4 2226 B10R0.1 CCCOCCC(C)CCC 7a_100011217855_100000210303 [0,1,0,0,0,0|3,0,0]=4 2227 B10R0.1 CCCOCCN(C)CCO 2230a_100000210263_100011215938 [0,1,0,0,0,0|3,0,0]=4 2228 B10R0.1 CCCOCCN(C)CCO 269982a_100000210263_100011215938 [0,1,0,0,0,0|3,0,0]=4 2229 B10R0.1 CCCOCC[C@@H](N)CCC 34a_100015193777_100000210303 [0,1,0,0,0,0|3,0,0]=4 2230 B10R0.1 CCOCCCC(=O)CCO 1458a_100011216618_100012232248 [0,1,0,0,0,0|1,0,2]=4 2231 B10R0.1 CCOCCCC(=O)COC 1458a_100000210968_100012232248 [0,1,0,0,0,0|1,0,2]=4 2232 B10R0.1 CCOCCCN(C)CCO 2230a_100000210263_100012232248 [0,1,0,0,0,0|3,0,0]=4 2233 B10R0.1 CCOCCCN(C)CCO 269982a_100000210263_100012232248 [0,1,0,0,0,0|3,0,0]=4 2234 B10R0.1 CCOCCNC(C)CCO 2230a_102516460346_100009893172 [0,1,0,0,0,0|3,0,0]=4 2235 B10R0.1 CCOCCNC(C)CCO 34a_102516460346_100009893172 [0,1,0,0,0,0|3,0,0]=4 2236 B10R0.1 CCOCCNC(C)COC 2230a_102516460346_100000765312 [0,1,0,0,0,0|3,0,0]=4 2237 B10R0.1 CCOCCNC(C)COC 270004a_102516460346_100000749346 [0,1,0,0,0,0|3,0,0]=4 2238 B10R0.1 CCOCCNC(C)COC 34a_102516460346_100000765312 [0,1,0,0,0,0|3,0,0]=4 2239 B10R0.1 CCOCCN[C@H](C)CCO 2230a_100000706166_100011215890 [0,1,0,0,0,0|3,0,0]=4 2240 B10R0.1 CCOCCN[C@H](C)CCO 34a_100000706166_100000210147 [0,1,0,0,0,0|3,0,0]=4 2241 B10R0.1 CCOCCN[C@H](C)COC 2230a_100000764878_100011215890 [0,1,0,0,0,0|3,0,0]=4 2242 B10R0.1 CCOCCOC(C)CCO 34a_100000210136_100009893172 [0,1,0,0,0,0|3,0,0]=4 2243 B10R0.1 CCOCCOC(C)CCO 7a_100000210136_100009893172 [0,1,0,0,0,0|3,0,0]=4 2244 B10R0.1 CCOCCOC(C)COC 34a_100000210136_100000765312 [0,1,0,0,0,0|3,0,0]=4 2245 B10R0.1 CCOCCOC(C)COC 7a_100000210136_100000765312 [0,1,0,0,0,0|3,0,0]=4 2246 B10R0.1 CCOCCO[C@H](C)COC 34a_100011934205_100000210147 [0,1,0,0,0,0|3,0,0]=4 2247 B10R0.1 CCOCCSC(C)CCO 62a_100000210147_100009893172 [0,1,0,0,0,0|3,0,0]=4 2248 B10R0.1 CCOCCSC(C)CCO 62a_100009893172_100011215890 [0,1,0,0,0,0|3,0,0]=4 2249 B10R0.1 CCOCCSC(C)COC 62a_100000210147_100000765312 [0,1,0,0,0,0|3,0,0]=4 2250 B10R0.1 CCOCCSC(C)COC 62a_100000765312_100011215890 [0,1,0,0,0,0|3,0,0]=4 2251 B10R0.1 CCOCSCC(O)COC 62a_100000739092_100011215053 [0,1,0,0,0,0|2,0,0]=3 2252 B10R0.1 CCOCSCC(O)COC 62a_100011215053_100000739092 [0,1,0,0,0,0|2,0,0]=3 2253 B10R0.1 CCOCSC[C@@H](O)CC#N 62a_100000001066_100000739092 [0,1,0,0,0,0|3,0,0]=4 2254 B10R0.1 CCOCSC[C@@H](O)CC#N 62a_100000739092_100000001066 [0,1,0,0,0,0|3,0,0]=4 2255 B10R0.1 CCSCCNC(C)CCO 2230a_100000106463_100009893172 [0,1,0,0,0,0|3,0,0]=4 2256 B10R0.1 CCSCCNC(C)COC 2230a_100000106463_100000765312 [0,1,0,0,0,0|3,0,0]=4 2257 B10R0.1 CCSCCNC(C)COC 270004a_100000106463_100000749346 [0,1,0,0,0,0|3,0,0]=4 2258 B10R0.1 CCSCCN[C@H](C)CCO 2230a_100000706166_100000757381 [0,1,0,0,0,0|3,0,0]=4 2259 B10R0.1 CCSCCN[C@H](C)CCO 34a_100000706166_100000757381 [0,1,0,0,0,0|3,0,0]=4 2260 B10R0.1 CCSCCN[C@H](C)COC 2230a_100000764878_100000757381 [0,1,0,0,0,0|3,0,0]=4 2261 B10R0.1 CCSCCOC(C)CCO 34a_100000212035_100009893172 [0,1,0,0,0,0|3,0,0]=4 2262 B10R0.1 CCSCCOC(C)CCO 7a_100000212035_100009893172 [0,1,0,0,0,0|3,0,0]=4 2263 B10R0.1 CCSCCOC(C)COC 34a_100000212035_100000765312 [0,1,0,0,0,0|3,0,0]=4 2264 B10R0.1 CCSCCOC(C)COC 7a_100000212035_100000765312 [0,1,0,0,0,0|3,0,0]=4 2265 B10R0.1 CCSCCO[C@H](C)COC 34a_100011934205_100000757381 [0,1,0,0,0,0|3,0,0]=4 2266 B10R0.1 CCSCCSC(C)CCO 62a_100000757381_100009893172 [0,1,0,0,0,0|3,0,0]=4 2267 B10R0.1 CCSCCSC(C)CCO 62a_100009893172_100000757381 [0,1,0,0,0,0|3,0,0]=4 2268 B10R0.1 CCSCCSC(C)COC 62a_100000757381_100000765312 [0,1,0,0,0,0|3,0,0]=4 2269 B10R0.1 CCSCCSC(C)COC 62a_100000765312_100000757381 [0,1,0,0,0,0|3,0,0]=4 2270 B10R0.1 CN(CCO)CCCCCF 2230a_100000210263_100000729378 [0,1,0,0,0,0|3,0,0]=4 2271 B10R0.1 CN(CCO)CCCCCF 269982a_100000210263_100000729378 [0,1,0,0,0,0|3,0,0]=4 2272 B10R0.1 CN(CCO)CCCCCO 2230a_100000210263_100000746330 [0,1,0,0,0,0|3,0,0]=4 2273 B10R0.1 CN(CCO)CCCCCO 2230a_100000722520_100000211926 [0,1,0,0,0,0|3,0,0]=4 2274 B10R0.1 CN(CCO)CCCCCO 269982a_100000210263_100000746330 [0,1,0,0,0,0|3,0,0]=4 2275 B10R0.1 CN(CCO)CCCCCO 269982a_100000722520_100000211926 [0,1,0,0,0,0|3,0,0]=4 2276 B10R0.1 CNCCCOC(C)CCO 34a_100000213112_100009893172 [0,1,0,0,0,0|3,0,0]=4 2277 B10R0.1 CNCCCOC(C)COC 34a_100000213112_100000765312 [0,1,0,0,0,0|3,0,0]=4 2278 B10R0.1 COCC(=O)CCCCCF 1458a_100000210968_100000729378 [0,1,0,0,0,0|1,0,2]=4 2279 B10R0.1 COCC(=O)CCCCCO 1458a_100000210968_100000746330 [0,1,0,0,0,0|1,0,2]=4 2280 B10R0.1 COCC(C)NCCCCO 2230a_100000750430_100000765312 [0,1,0,0,0,0|3,0,0]=4 2281 B10R0.1 COCC(C)NCCCCO 270004a_100000750430_100000749346 [0,1,0,0,0,0|3,0,0]=4 2282 B10R0.1 COCC(C)NCCCCO 34a_100000750430_100000765312 [0,1,0,0,0,0|3,0,0]=4 2283 B10R0.1 COCC(C)NCCCSC 2230a_100000749238_100000765312 [0,1,0,0,0,0|3,0,0]=4 2284 B10R0.1 COCC(C)NCCCSC 270004a_100000749238_100000749346 [0,1,0,0,0,0|3,0,0]=4 2285 B10R0.1 COCC(C)OCCCCBr 34a_100011216708_100000765312 [0,1,0,0,0,0|3,0,0]=4 2286 B10R0.1 COCC(C)OCCCCCl 34a_100000210776_100000765312 [0,1,0,0,0,0|3,0,0]=4 2287 B10R0.1 COCC(C)OCCCCCl 7a_100000210776_100000765312 [0,1,0,0,0,0|3,0,0]=4 2288 B10R0.1 COCC(C)OCCCCF 34a_100011995726_100000765312 [0,1,0,0,0,0|3,0,0]=4 2289 B10R0.1 COCC(C)OCCCCF 7a_100011995726_100000765312 [0,1,0,0,0,0|3,0,0]=4 2290 B10R0.1 COCC(C)OCCCCI 34a_200012148704_100000765312 [0,1,0,0,0,0|3,0,0]=4 2291 B10R0.1 COCC(C)OCCCCN 34a_100000750430_100000765312 [0,1,0,0,0,0|3,0,0]=4 2292 B10R0.1 COCC(C)OCCCSC 34a_100000690336_100000765312 [0,1,0,0,0,0|3,0,0]=4 2293 B10R0.1 COCC(C)OCCCSC 7a_100000690336_100000765312 [0,1,0,0,0,0|3,0,0]=4 2294 B10R0.1 COCC(C)SCCCCF 62a_100000729493_100000765312 [0,1,0,0,0,0|3,0,0]=4 2295 B10R0.1 COCC(C)SCCCCF 62a_100000765312_100000729493 [0,1,0,0,0,0|3,0,0]=4 2296 B10R0.1 COCC(C)SCCCCO 62a_100000210776_100000765312 [0,1,0,0,0,0|3,0,0]=4 2297 B10R0.1 COCC(C)SCCCCO 62a_100000765312_100000210776 [0,1,0,0,0,0|3,0,0]=4 2298 B10R0.1 COCC(N)COCCCF 34a_100000724102_100011934791 [0,1,0,0,0,0|3,0,0]=4 2299 B10R0.1 COCC(N)COCCCO 34a_100000724102_100000230001 [0,1,0,0,0,0|3,0,0]=4 2300 B10R0.1 COCC(N)COCCSC 34a_100000724102_100000212216 [0,1,0,0,0,0|3,0,0]=4 2301 B10R0.1 COCC(O)CNCCC#N 2230a_100000756049_100011215226 [0,1,0,0,0,0|2,0,1]=4 2302 B10R0.1 COCC(O)CNCCCF 2230a_100000756049_100011934791 [0,1,0,0,0,0|2,0,0]=3 2303 B10R0.1 COCC(O)CNCCCF 34a_100000756049_100011934791 [0,1,0,0,0,0|2,0,0]=3 2304 B10R0.1 COCC(O)CNCCCF 34a_100015189416_100011215053 [0,1,0,0,0,0|2,0,0]=3 2305 B10R0.1 COCC(O)CNCCCO 2230a_100000756049_100000230001 [0,1,0,0,0,0|2,0,0]=3 2306 B10R0.1 COCC(O)CNCCCO 34a_100000756049_100000230001 [0,1,0,0,0,0|2,0,0]=3 2307 B10R0.1 COCC(O)CNCCSC 2230a_100000756049_100000751147 [0,1,0,0,0,0|2,0,0]=3 2308 B10R0.1 COCC(O)CNCCSC 34a_100000756049_100000212216 [0,1,0,0,0,0|2,0,0]=3 2309 B10R0.1 COCC(O)COCCCBr 34a_100011217188_100011215053 [0,1,0,0,0,0|2,0,0]=3 2310 B10R0.1 COCC(O)COCCCCl 34a_100000230001_100011215053 [0,1,0,0,0,0|2,0,0]=3 2311 B10R0.1 COCC(O)COCCCF 34a_100000759539_100011215053 [0,1,0,0,0,0|2,0,0]=3 2312 B10R0.1 COCC(O)COCCCN 34a_100000182051_100011215053 [0,1,0,0,0,0|2,0,0]=3 2313 B10R0.1 COCC(O)COCCON 34a_100000700252_100011215053 [0,1,0,0,0,0|3,0,0]=4 2314 B10R0.1 COCC(O)COCCSC 34a_100000230434_100011215053 [0,1,0,0,0,0|2,0,0]=3 2315 B10R0.1 COCC(O)COCCSC 7a_100000230434_100011215053 [0,1,0,0,0,0|2,0,0]=3 2316 B10R0.1 COCC(O)CSCCC#N 62a_100011215053_100011215226 [0,1,0,0,0,0|2,0,1]=4 2317 B10R0.1 COCC(O)CSCCC#N 62a_100011215226_100011215053 [0,1,0,0,0,0|2,0,1]=4 2318 B10R0.1 COCC(O)CSCCCF 62a_100011215053_100011934791 [0,1,0,0,0,0|2,0,0]=3 2319 B10R0.1 COCC(O)CSCCCF 62a_100011934791_100011215053 [0,1,0,0,0,0|2,0,0]=3 2320 B10R0.1 COCC(O)CSCCCO 62a_100011215043_100011215053 [0,1,0,0,0,0|2,0,0]=3 2321 B10R0.1 COCC(O)CSCCCO 62a_100011215053_100011215043 [0,1,0,0,0,0|2,0,0]=3 2322 B10R0.1 COCC(O)CSCCSC 62a_100000212216_100011215053 [0,1,0,0,0,0|2,0,0]=3 2323 B10R0.1 COCC(O)CSCCSC 62a_100011215053_100000751147 [0,1,0,0,0,0|2,0,0]=3 2324 B10R0.1 COCCCCC(=O)CCO 1458a_100011216618_100000755781 [0,1,0,0,0,0|1,0,2]=4 2325 B10R0.1 COCCCCC(=O)COC 1458a_100000210968_100000755781 [0,1,0,0,0,0|1,0,2]=4 2326 B10R0.1 COCCCCN(C)CCO 2230a_100000210263_100000730899 [0,1,0,0,0,0|3,0,0]=4 2327 B10R0.1 COCCCCN(C)CCO 269982a_100000210263_100000730899 [0,1,0,0,0,0|3,0,0]=4 2328 B10R0.1 COCCCNC(C)CCO 34a_100150723488_100009893172 [0,1,0,0,0,0|3,0,0]=4 2329 B10R0.1 COCCCNC(C)COC 270004a_100150723488_100000749346 [0,1,0,0,0,0|3,0,0]=4 2330 B10R0.1 COCCCNC(C)COC 34a_100150723488_100000765312 [0,1,0,0,0,0|3,0,0]=4 2331 B10R0.1 COCCCN[C@H](C)CCO 2230a_100000706166_100000740836 [0,1,0,0,0,0|3,0,0]=4 2332 B10R0.1 COCCCN[C@H](C)CCO 34a_100000706166_100000740836 [0,1,0,0,0,0|3,0,0]=4 2333 B10R0.1 COCCCN[C@H](C)COC 2230a_100000764878_100000740836 [0,1,0,0,0,0|3,0,0]=4 2334 B10R0.1 COCCCOC(C)CCO 34a_100000740835_100009893172 [0,1,0,0,0,0|3,0,0]=4 2335 B10R0.1 COCCCOC(C)COC 34a_100000740835_100000765312 [0,1,0,0,0,0|3,0,0]=4 2336 B10R0.1 COCCCO[C@H](C)COC 34a_100011934205_100000740836 [0,1,0,0,0,0|3,0,0]=4 2337 B10R0.1 COCCCSC(C)CCO 62a_100000709357_100009893172 [0,1,0,0,0,0|3,0,0]=4 2338 B10R0.1 COCCCSC(C)CCO 62a_100009893172_100000709357 [0,1,0,0,0,0|3,0,0]=4 2339 B10R0.1 COCCCSC(C)COC 62a_100000709357_100000765312 [0,1,0,0,0,0|3,0,0]=4 2340 B10R0.1 COCCCSC(C)COC 62a_100000765312_100000709357 [0,1,0,0,0,0|3,0,0]=4 2341 B10R0.1 COCCNCC(O)COC 2230a_100000756049_100011201679 [0,1,0,0,0,0|2,0,0]=3 2342 B10R0.1 COCCNCC(O)COC 34a_100000756049_100011201679 [0,1,0,0,0,0|2,0,0]=3 2343 B10R0.1 COCCNC[C@@H](O)CC#N 2230a_100000209980_100000001066 [0,1,0,0,0,0|3,0,0]=4 2344 B10R0.1 COCCOCC(N)COC 34a_100000724102_100011201679 [0,1,0,0,0,0|3,0,0]=4 2345 B10R0.1 COCCOCC(O)COC 34a_100000210237_100011215053 [0,1,0,0,0,0|2,0,0]=3 2346 B10R0.1 COCCSCC(O)COC 62a_100000233755_100011215053 [0,1,0,0,0,0|2,0,0]=3 2347 B10R0.1 COCCSCC(O)COC 62a_100011215053_100000233755 [0,1,0,0,0,0|2,0,0]=3 2348 B10R0.1 COCCSC[C@@H](O)CC#N 62a_100000001066_100000233755 [0,1,0,0,0,0|3,0,0]=4 2349 B10R0.1 COCCSC[C@@H](O)CC#N 62a_100000233755_100000001066 [0,1,0,0,0,0|3,0,0]=4 2350 B10R0.1 COCN(C)CCCCCO 2230a_100000722520_100000766300 [0,1,0,0,0,0|3,0,0]=4 2351 B10R0.1 COCN(C)CCCCCO 269982a_100000722520_100000766300 [0,1,0,0,0,0|3,0,0]=4 2352 B10R0.1 COC[C@@H](C)NCCCCF 2230a_100000764878_100000729493 [0,1,0,0,0,0|3,0,0]=4 2353 B10R0.1 COC[C@@H](C)NCCCCO 2230a_100000764878_100000210776 [0,1,0,0,0,0|3,0,0]=4 2354 B10R0.1 COC[C@@H](C)OCCCCF 34a_100011934205_100000729493 [0,1,0,0,0,0|3,0,0]=4 2355 B10R0.1 COC[C@@H](C)OCCCCO 34a_100011934205_100011216708 [0,1,0,0,0,0|3,0,0]=4 2356 B10R0.1 CSCCCNC(C)CCO 2230a_100000749238_100009893172 [0,1,0,0,0,0|3,0,0]=4 2357 B10R0.1 CSCCCOC(C)CCO 34a_100000690336_100009893172 [0,1,0,0,0,0|3,0,0]=4 2358 B10R0.1 CSCCCOC(C)CCO 7a_100000690336_100009893172 [0,1,0,0,0,0|3,0,0]=4 2359 B10R0.1 CSCCNC[C@@H](O)CC#N 2230a_100020590264_100000001066 [0,1,0,0,0,0|3,0,0]=4 2360 B10R0.1 CSCCOC[C@@H](O)CC#N 7a_100000230434_100000001066 [0,1,0,0,0,0|3,0,0]=4 2361 B10R0.1 CSCCSC[C@@H](O)CC#N 62a_100000001066_100000751147 [0,1,0,0,0,0|3,0,0]=4 2362 B10R0.1 CSCCSC[C@@H](O)CC#N 62a_100000212216_100000001066 [0,1,0,0,0,0|3,0,0]=4 2363 B10R0.1 C[C@H](CCO)NCCCCF 2230a_100000706166_100000729493 [0,1,0,0,0,0|3,0,0]=4 2364 B10R0.1 C[C@H](CCO)NCCCCF 34a_100000706166_100000729493 [0,1,0,0,0,0|3,0,0]=4 2365 B10R0.1 C[C@H](CCO)NCCCCO 2230a_100000706166_100000210776 [0,1,0,0,0,0|3,0,0]=4 2366 B10R0.1 C[C@H](CCO)NCCCCO 34a_100000706166_100011216708 [0,1,0,0,0,0|3,0,0]=4 2367 B10R0.1 N#CC[C@H](O)CNCCCF 2230a_100015189416_100000001066 [0,1,0,0,0,0|3,0,0]=4 2368 B10R0.1 N#CC[C@H](O)CSCCCF 62a_100000001066_100011934791 [0,1,0,0,0,0|3,0,0]=4 2369 B10R0.1 N#CC[C@H](O)CSCCCF 62a_100011934791_100000001066 [0,1,0,0,0,0|3,0,0]=4 2370 B10R0.1 N#CC[C@H](O)CSCCCO 62a_100000001066_100011215043 [0,1,0,0,0,0|3,0,0]=4 2371 B10R0.1 N#CC[C@H](O)CSCCCO 62a_100011215043_100000001066 [0,1,0,0,0,0|3,0,0]=4 2372 B10R0.1 O=C(CCO)CCCCCF 1458a_100011216618_100000729378 [0,1,0,0,0,0|1,0,2]=4 2373 B10R0.1 O=C(CCO)CCCCCO 1458a_100011216618_100000746330 [0,1,0,0,0,0|1,0,2]=4 2374 B10R0.1 O=C(CCO)CCCCCO 1458a_100102619762_100000211926 [0,1,0,0,0,0|1,0,2]=4 2375 B10R0.18 C#CCCN(C)CC(O)CO 2230a_100011216503_100000688953 [0,1,0,0,0,0|1,0,2]=4 2376 B10R0.18 C#CCCN(C)CC(O)CO 269982a_100011216503_100000730999 [0,1,0,0,0,0|1,0,2]=4 2377 B10R0.18 C/C=C/CN(C)CC(O)CO 269982a_100011216503_100102629194 [0,1,0,0,0,0|1,0,2]=4 2378 B10R0.18 C=CC(O)CN(C)CCCC 2230a_100000207549_100000730141 [0,1,0,0,0,0|2,0,1]=4 2379 B10R0.18 C=CCCN(C)CC(O)CO 2230a_100011216503_100000754431 [0,1,0,0,0,0|1,0,2]=4 2380 B10R0.18 C=CCCN(C)CC(O)CO 2230a_100020639649_100011219619 [0,1,0,0,0,0|1,0,2]=4 2381 B10R0.18 C=CCCN(C)CC(O)CO 269982a_100011216503_100000754431 [0,1,0,0,0,0|1,0,2]=4 2382 B10R0.18 C=CCCN(C)C[C@@H](O)CO 2230a_100020639649_100009815848 [0,1,0,0,0,0|1,0,2]=4 2383 B10R0.18 CC#CCN(C)CC(O)CO 2230a_100011216503_100000748600 [0,1,0,0,0,0|1,0,2]=4 2384 B10R0.18 CC(CO)OC(C)CCCCl 34a_200000718107_100012180447 [0,1,0,0,0,0|3,0,0]=4 2385 B10R0.18 CC(CO)OC(C)CCCCl 7a_200000718107_100012180447 [0,1,0,0,0,0|3,0,0]=4 2386 B10R0.18 CC=CCN(C)CC(O)CO 2230a_100011216503_100000070051 [0,1,0,0,0,0|1,0,2]=4 2387 B10R0.18 CCC(O)CC(=O)CCCF 1458a_100011667805_100011934791 [0,1,0,0,0,0|2,0,1]=4 2388 B10R0.18 CCC(O)CC(=O)CCCO 1458a_100011667805_100011215043 [0,1,0,0,0,0|2,0,1]=4 2389 B10R0.18 CCC(O)CC(=O)CCOC 1458a_100000749529_100011218378 [0,1,0,0,0,0|2,0,1]=4 2390 B10R0.18 CCC(O)CC(=O)CCOC 1458a_100011667805_100000233755 [0,1,0,0,0,0|2,0,1]=4 2391 B10R0.18 CCC(O)CC(=O)CCSC 1458a_100000174002_100011218378 [0,1,0,0,0,0|2,0,1]=4 2392 B10R0.18 CCC(O)CC(=O)CCSC 1458a_100011667805_100000751147 [0,1,0,0,0,0|2,0,1]=4 2393 B10R0.18 CCC(O)CN(C)CCCO 2230a_100000213112_100011218378 [0,1,0,0,0,0|3,0,0]=4 2394 B10R0.18 CCC(O)CN(C)CCCO 269982a_100000213112_100011218378 [0,1,0,0,0,0|3,0,0]=4 2395 B10R0.18 CCC(O)CN(C)CCOC 2230a_100000743101_100011218378 [0,1,0,0,0,0|3,0,0]=4 2396 B10R0.18 CCC(O)CN(C)CCOC 269982a_100000743101_100011218378 [0,1,0,0,0,0|3,0,0]=4 2397 B10R0.18 CCC(O)CN(C)CCSC 2230a_100000686725_100011218378 [0,1,0,0,0,0|3,0,0]=4 2398 B10R0.18 CCC(O)CN(C)CCSC 269982a_100000686725_100011218378 [0,1,0,0,0,0|3,0,0]=4 2399 B10R0.18 CCCCC(=O)CC(C)CC 1458a_100000210183_100000748023 [0,1,0,0,0,0|2,0,1]=4 2400 B10R0.18 CCCCC(=O)CC(C)CC 1458a_100000708755_100000210211 [0,1,0,0,0,0|2,0,1]=4 2401 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100000210183_100011218378 [0,1,0,0,0,0|1,0,1]=3 2402 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100011667805_100000210211 [0,1,0,0,0,0|1,0,1]=3 2403 B10R0.18 CCCCC(=O)C[C@@H](C)CC 1458a_100000210183_100009816398 [0,1,0,0,0,0|2,0,1]=4 2404 B10R0.18 CCCCC(=O)C[C@@H](C)CO 1458a_100000210183_100000059175 [0,1,0,0,0,0|1,0,1]=3 2405 B10R0.18 CCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000210183 [0,1,0,0,0,0|2,0,1]=4 2406 B10R0.18 CCCCC(=O)N[C@H](C)CO 527a_100000737577_100000210183 [0,1,0,0,0,0|2,0,1]=4 2407 B10R0.18 CCCCC(C)NC(=O)CO 240690a_100000126638_100000210174 [0,1,0,0,0,0|1,0,2]=4 2408 B10R0.18 CCCCC(C)NC(=O)CO 527a_100000126638_100000210174 [0,1,0,0,0,0|1,0,2]=4 2409 B10R0.18 CCCCC(C)NC(C)CC 2230a_100000126638_100000758301 [0,1,0,0,0,0|3,0,0]=4 2410 B10R0.18 CCCCC(C)NC(C)CC 2230a_100000209981_200011215066 [0,1,0,0,0,0|3,0,0]=4 2411 B10R0.18 CCCCC(C)NC(C)CC 270004a_100000209981_100000210087 [0,1,0,0,0,0|3,0,0]=4 2412 B10R0.18 CCCCC(C)NC(C)CO 2230a_100000126638_100012180447 [0,1,0,0,0,0|2,0,0]=3 2413 B10R0.18 CCCCC(C)N[C@H](C)CF 270004a_100102880703_100000210087 [0,1,0,0,0,0|3,0,0]=4 2414 B10R0.18 CCCCC(C)N[C@H](C)CO 2230a_100000737577_200011215066 [0,1,0,0,0,0|2,0,0]=3 2415 B10R0.18 CCCCC(C)N[C@H](C)CO 270004a_100000737577_100000210087 [0,1,0,0,0,0|2,0,0]=3 2416 B10R0.18 CCCCC(C)OC(C)CC 34a_100000687866_100011215416 [0,1,0,0,0,0|3,0,0]=4 2417 B10R0.18 CCCCC(C)OC(C)CC 7a_100000210228_200011215066 [0,1,0,0,0,0|3,0,0]=4 2418 B10R0.18 CCCCC(C)OC(C)CC 7a_100000687866_100000758301 [0,1,0,0,0,0|3,0,0]=4 2419 B10R0.18 CCCCC(C)OC(C)CF 34a_100016041109_200011215066 [0,1,0,0,0,0|3,0,0]=4 2420 B10R0.18 CCCCC(C)OC(C)CF 7a_100016041109_200011215066 [0,1,0,0,0,0|3,0,0]=4 2421 B10R0.18 CCCCC(C)OC(C)CN 34a_100000210904_200011215066 [0,1,0,0,0,0|3,0,0]=4 2422 B10R0.18 CCCCC(C)OC(C)CO 34a_100000687866_100012180447 [0,1,0,0,0,0|2,0,0]=3 2423 B10R0.18 CCCCC(C)OC(C)CO 7a_100000687866_100012180447 [0,1,0,0,0,0|2,0,0]=3 2424 B10R0.18 CCCCC(C)SC(C)CC 62a_100000758301_200011215066 [0,1,0,0,0,0|3,0,0]=4 2425 B10R0.18 CCCCC(C)SC(C)CC 62a_200011215066_100000758301 [0,1,0,0,0,0|3,0,0]=4 2426 B10R0.18 CCCCC(C)SC(C)CO 62a_100012180447_200011215066 [0,1,0,0,0,0|2,0,0]=3 2427 B10R0.18 CCCCC(C)S[C@H](C)CO 62a_100016084084_200011215066 [0,1,0,0,0,0|2,0,0]=3 2428 B10R0.18 CCCCC(C)S[C@H](C)CO 62a_200011215066_100016084084 [0,1,0,0,0,0|2,0,0]=3 2429 B10R0.18 CCCCN(C)CC(C)CC 2230a_100000207549_100000748023 [0,1,0,0,0,0|3,0,0]=4 2430 B10R0.18 CCCCN(C)CC(C)CC 2230a_100000753921_100000210211 [0,1,0,0,0,0|3,0,0]=4 2431 B10R0.18 CCCCN(C)CC(C)CC 269982a_100000207549_100000748023 [0,1,0,0,0,0|3,0,0]=4 2432 B10R0.18 CCCCN(C)CC(C)CC 269982a_100000753921_100000210211 [0,1,0,0,0,0|3,0,0]=4 2433 B10R0.18 CCCCN(C)CC(C)CC 270004a_100000207549_100000243153 [0,1,0,0,0,0|3,0,0]=4 2434 B10R0.18 CCCCN(C)CC(O)CC 2230a_100000207549_100011218378 [0,1,0,0,0,0|2,0,0]=3 2435 B10R0.18 CCCCN(C)CC(O)CC 269982a_100000207549_100011218378 [0,1,0,0,0,0|2,0,0]=3 2436 B10R0.18 CCCCN(C)CC(O)CO 2230a_100000207549_100011219619 [0,1,0,0,0,0|1,0,0]=2 2437 B10R0.18 CCCCN(C)CC(O)CO 2230a_100011216503_100000210211 [0,1,0,0,0,0|1,0,0]=2 2438 B10R0.18 CCCCN(C)CC(O)CO 269982a_100011216503_100000210211 [0,1,0,0,0,0|1,0,0]=2 2439 B10R0.18 CCCCN(C)C[C@@H](C)CC 2230a_100000207549_100009816398 [0,1,0,0,0,0|3,0,0]=4 2440 B10R0.18 CCCCN(C)C[C@@H](C)CC 269982a_100000207549_100009816398 [0,1,0,0,0,0|3,0,0]=4 2441 B10R0.18 CCCCN(C)C[C@@H](C)CO 2230a_100000207549_100000059175 [0,1,0,0,0,0|2,0,0]=3 2442 B10R0.18 CCCCN(C)C[C@@H](C)CO 269982a_100000207549_100000059175 [0,1,0,0,0,0|2,0,0]=3 2443 B10R0.18 CCCCN(C)C[C@@H](O)CF 2230a_100000207549_100015614560 [0,1,0,0,0,0|2,0,0]=3 2444 B10R0.18 CCCCN(C)C[C@@H](O)CO 2230a_100000207549_100009815848 [0,1,0,0,0,0|1,0,0]=2 2445 B10R0.18 CCCNC(=O)CC(O)CC 1626a_100020643023_100011667805 [0,1,0,0,0,0|2,0,1]=4 2446 B10R0.18 CCCNC(=O)CC(O)CC 240690a_100020643023_100011667805 [0,1,0,0,0,0|2,0,1]=4 2447 B10R0.18 CCCNC(C)CC(C)CC 2230a_100000763565_100000210303 [0,1,0,0,0,0|3,0,0]=4 2448 B10R0.18 CCCNC(C)CC(C)CC 270004a_100020643023_100011710205 [0,1,0,0,0,0|3,0,0]=4 2449 B10R0.18 CCOCC(=O)CC(O)CC 1458a_100000211967_100011218378 [0,1,0,0,0,0|2,0,1]=4 2450 B10R0.18 CCOCC(=O)C[C@@H](C)CO 1458a_100000211967_100000059175 [0,1,0,0,0,0|2,0,1]=4 2451 B10R0.18 CCOCC(C)OC(C)CO 34a_100000718985_100012180447 [0,1,0,0,0,0|3,0,0]=4 2452 B10R0.18 CCOCC(C)OC(C)CO 7a_100000718985_100012180447 [0,1,0,0,0,0|3,0,0]=4 2453 B10R0.18 CCOCN(C)CC(O)CO 269982a_100011216503_100000739092 [0,1,0,0,0,0|2,0,0]=3 2454 B10R0.18 CCSCC(=O)CC(O)CC 1458a_100000230394_100011218378 [0,1,0,0,0,0|2,0,1]=4 2455 B10R0.18 CCSCC(=O)C[C@@H](C)CO 1458a_100000230394_100000059175 [0,1,0,0,0,0|2,0,1]=4 2456 B10R0.18 CCSCC(C)N[C@H](C)CO 270004a_100000737577_200011216171 [0,1,0,0,0,0|3,0,0]=4 2457 B10R0.18 CN(CCC#N)CC(O)CO 2230a_100000184479_100011219619 [0,1,0,0,0,0|2,0,1]=4 2458 B10R0.18 CN(CCC#N)CC(O)CO 2230a_100011216503_100011215226 [0,1,0,0,0,0|2,0,1]=4 2459 B10R0.18 CN(CCC#N)CC(O)CO 269982a_100011216503_100011215226 [0,1,0,0,0,0|2,0,1]=4 2460 B10R0.18 CN(CCC#N)C[C@@H](O)CO 2230a_100000184479_100009815848 [0,1,0,0,0,0|2,0,1]=4 2461 B10R0.18 CN(CCCF)CC(O)CO 2230a_100011216503_100011934791 [0,1,0,0,0,0|2,0,0]=3 2462 B10R0.18 CN(CCCF)CC(O)CO 269982a_100011216503_100011934791 [0,1,0,0,0,0|2,0,0]=3 2463 B10R0.18 CN(CCCO)CC(O)CO 2230a_100000213112_100011219619 [0,1,0,0,0,0|2,0,0]=3 2464 B10R0.18 CN(CCCO)CC(O)CO 2230a_100011216503_100000230001 [0,1,0,0,0,0|2,0,0]=3 2465 B10R0.18 CN(CCCO)CC(O)CO 269982a_100011216503_100011215043 [0,1,0,0,0,0|2,0,0]=3 2466 B10R0.18 CN(CCCO)C[C@@H](O)CF 2230a_100000213112_100015614560 [0,1,0,0,0,0|3,0,0]=4 2467 B10R0.18 CN(CCCO)C[C@@H](O)CO 2230a_100000213112_100009815848 [0,1,0,0,0,0|2,0,0]=3 2468 B10R0.18 COCCC(=O)C[C@@H](C)CO 1458a_100000749529_100000059175 [0,1,0,0,0,0|2,0,1]=4 2469 B10R0.18 COCCC(C)N[C@H](C)CO 270004a_100000737577_100000742357 [0,1,0,0,0,0|3,0,0]=4 2470 B10R0.18 COCCN(C)CC(O)CO 2230a_100000743101_100011219619 [0,1,0,0,0,0|2,0,0]=3 2471 B10R0.18 COCCN(C)CC(O)CO 2230a_100011216503_100011201679 [0,1,0,0,0,0|2,0,0]=3 2472 B10R0.18 COCCN(C)CC(O)CO 269982a_100011216503_100000233755 [0,1,0,0,0,0|2,0,0]=3 2473 B10R0.18 COCCN(C)C[C@@H](C)CO 2230a_100000743101_100000059175 [0,1,0,0,0,0|3,0,0]=4 2474 B10R0.18 COCCN(C)C[C@@H](C)CO 269982a_100000743101_100000059175 [0,1,0,0,0,0|3,0,0]=4 2475 B10R0.18 COCCN(C)C[C@@H](O)CF 2230a_100000743101_100015614560 [0,1,0,0,0,0|3,0,0]=4 2476 B10R0.18 COCCN(C)C[C@@H](O)CO 2230a_100000743101_100009815848 [0,1,0,0,0,0|2,0,0]=3 2477 B10R0.18 CSCCC(=O)C[C@@H](C)CO 1458a_100000174002_100000059175 [0,1,0,0,0,0|2,0,1]=4 2478 B10R0.18 CSCCC(C)N[C@H](C)CO 270004a_100000737577_100011217047 [0,1,0,0,0,0|3,0,0]=4 2479 B10R0.18 CSCCN(C)CC(O)CO 2230a_100000686725_100011219619 [0,1,0,0,0,0|2,0,0]=3 2480 B10R0.18 CSCCN(C)CC(O)CO 2230a_100011216503_100000751147 [0,1,0,0,0,0|2,0,0]=3 2481 B10R0.18 CSCCN(C)CC(O)CO 269982a_100011216503_100000212216 [0,1,0,0,0,0|2,0,0]=3 2482 B10R0.18 CSCCN(C)C[C@@H](C)CO 2230a_100000686725_100000059175 [0,1,0,0,0,0|3,0,0]=4 2483 B10R0.18 CSCCN(C)C[C@@H](C)CO 269982a_100000686725_100000059175 [0,1,0,0,0,0|3,0,0]=4 2484 B10R0.18 CSCCN(C)C[C@@H](O)CF 2230a_100000686725_100015614560 [0,1,0,0,0,0|3,0,0]=4 2485 B10R0.18 CSCCN(C)C[C@@H](O)CO 2230a_100000686725_100009815848 [0,1,0,0,0,0|2,0,0]=3 2486 B10R0.18 C[C@@H](CO)CN(C)CCCO 2230a_100000213112_100000059175 [0,1,0,0,0,0|3,0,0]=4 2487 B10R0.18 C[C@@H](CO)CN(C)CCCO 269982a_100000213112_100000059175 [0,1,0,0,0,0|3,0,0]=4 2488 B10R0.41 C#CC(CC)OCCCCC 34a_100000758843_100000718602 [0,1,0,0,0,0|3,0,0]=4 2489 B10R0.41 C#CC(CC)OCCCCC 7a_100000758843_100000210326 [0,1,0,0,0,0|3,0,0]=4 2490 B10R0.41 C#CC(CCCCCBr)OC 34a_200010408556_200000210301 [0,1,0,0,0,0|2,0,1]=4 2491 B10R0.41 C#CC(CCCCCBr)OC 7a_200010408556_200000210301 [0,1,0,0,0,0|2,0,1]=4 2492 B10R0.41 C#CC(CCCCCBr)O[13CH3] 34a_200010408556_200025704644 [0,1,0,0,0,0|2,0,1]=4 2493 B10R0.41 C#CC(CCCCCBr)O[13CH3] 7a_200010408556_200025704644 [0,1,0,0,0,0|2,0,1]=4 2494 B10R0.41 C#CCCCNC(CO)CO 2230a_100000759517_100000731252 [0,1,0,0,0,0|1,0,2]=4 2495 B10R0.41 C=CC(CC)OCCCCC 34a_100000766422_100000718602 [0,1,0,0,0,0|3,0,0]=4 2496 B10R0.41 C=CC(CC)OCCCCC 7a_100000766422_100000210326 [0,1,0,0,0,0|3,0,0]=4 2497 B10R0.41 C=CC(CCCCCC)OC 34a_200011215977_200000210301 [0,1,0,0,0,0|1,0,1]=3 2498 B10R0.41 C=CC(CCCCCC)OC 7a_200011215977_200000210301 [0,1,0,0,0,0|1,0,1]=3 2499 B10R0.41 C=CC(CCCCCC)O[13CH3] 34a_200011215977_200025704644 [0,1,0,0,0,0|1,0,1]=3 2500 B10R0.41 C=CC(CCCCCC)O[13CH3] 7a_200011215977_200025704644 [0,1,0,0,0,0|1,0,1]=3 2501 B10R0.41 C=CCCCNC(CO)CO 2230a_100000759517_100011713584 [0,1,0,0,0,0|1,0,2]=4 2502 B10R0.41 C=C[C@@H](CO)NCCCCC 2230a_100016989147_100000210326 [0,1,0,0,0,0|2,0,0]=3 2503 B10R0.41 C=C[C@@H](CO)NCCCCC 34a_100016989147_100000718602 [0,1,0,0,0,0|2,0,0]=3 2504 B10R0.41 C=C[C@@H](CO)NCCCCF 2230a_100016989147_100000729493 [0,1,0,0,0,0|3,0,0]=4 2505 B10R0.41 C=C[C@@H](CO)NCCCCF 34a_100016989147_100000729493 [0,1,0,0,0,0|3,0,0]=4 2506 B10R0.41 C=C[C@@H](CO)NCCCCO 2230a_100016989147_100000210776 [0,1,0,0,0,0|3,0,0]=4 2507 B10R0.41 C=C[C@@H](CO)NCCCCO 34a_100016989147_100011216708 [0,1,0,0,0,0|3,0,0]=4 2508 B10R0.41 C=C[C@@H](CO)NCCCOC 2230a_100016989147_100000740836 [0,1,0,0,0,0|3,0,0]=4 2509 B10R0.41 C=C[C@@H](CO)NCCCOC 34a_100016989147_100000740836 [0,1,0,0,0,0|3,0,0]=4 2510 B10R0.41 C=C[C@@H](CO)NCCOCC 2230a_100016989147_100011215890 [0,1,0,0,0,0|3,0,0]=4 2511 B10R0.41 C=C[C@@H](CO)NCCOCC 34a_100016989147_100000210147 [0,1,0,0,0,0|3,0,0]=4 2512 B10R0.41 C=C[C@@H](CO)NCCSCC 2230a_100016989147_100000757381 [0,1,0,0,0,0|3,0,0]=4 2513 B10R0.41 C=C[C@@H](CO)NCCSCC 34a_100016989147_100000757381 [0,1,0,0,0,0|3,0,0]=4 2514 B10R0.41 CC/C=C\CNC(CO)CO 2230a_100000759517_100103147603 [0,1,0,0,0,0|1,0,2]=4 2515 B10R0.41 CCC#CCNC(CO)CO 2230a_100000759517_100009813939 [0,1,0,0,0,0|1,0,2]=4 2516 B10R0.41 CCC(COCCCF)OC 34a_100011934954_100011934791 [0,1,0,0,0,0|3,0,0]=4 2517 B10R0.41 CCC(COCCCF)OC 7a_100011934954_100011934791 [0,1,0,0,0,0|3,0,0]=4 2518 B10R0.41 CCC(COCCCO)OC 34a_100011934954_100000230001 [0,1,0,0,0,0|3,0,0]=4 2519 B10R0.41 CCC(COCCCO)OC 7a_100011934954_100011215043 [0,1,0,0,0,0|3,0,0]=4 2520 B10R0.41 CCC(COCCOC)OC 34a_100011934954_100011201679 [0,1,0,0,0,0|3,0,0]=4 2521 B10R0.41 CCC(COCCOC)OC 7a_100011934954_100000233755 [0,1,0,0,0,0|3,0,0]=4 2522 B10R0.41 CCC(COCCSC)OC 34a_100011934954_100000212216 [0,1,0,0,0,0|3,0,0]=4 2523 B10R0.41 CCC(COCCSC)OC 7a_100011934954_100000212216 [0,1,0,0,0,0|3,0,0]=4 2524 B10R0.41 CCCCCCC(CC)NC 270004a_106832991635_100011219640 [0,1,0,0,0,0|2,0,0]=3 2525 B10R0.41 CCCCCCC(CC)OC 34a_100011215785_200000210301 [0,1,0,0,0,0|1,0,0]=2 2526 B10R0.41 CCCCCCC(CC)OC 7a_100011215785_200000210301 [0,1,0,0,0,0|1,0,0]=2 2527 B10R0.41 CCCCCCC(CC)O[13CH3] 34a_100011215785_200025704644 [0,1,0,0,0,0|1,0,0]=2 2528 B10R0.41 CCCCCCC(CC)O[13CH3] 7a_100011215785_200025704644 [0,1,0,0,0,0|1,0,0]=2 2529 B10R0.41 CCCCCCN(CC)CC 2230a_100000724800_100000210314 [0,1,0,0,0,0|3,0,0]=4 2530 B10R0.41 CCCCCCN(CC)CC 269956a_100000042499_100000210757 [0,1,0,0,0,0|3,0,0]=4 2531 B10R0.41 CCCCCCN(CC)CC 269982a_100000724800_100000210757 [0,1,0,0,0,0|3,0,0]=4 2532 B10R0.41 CCCCCNC(CC)CC 2230a_100000199018_100000210326 [0,1,0,0,0,0|3,0,0]=4 2533 B10R0.41 CCCCCNC(CC)CC 270004a_100000209983_100000210860 [0,1,0,0,0,0|3,0,0]=4 2534 B10R0.41 CCCCCNC(CO)CO 2230a_100000759517_100000210326 [0,1,0,0,0,0|1,0,0]=2 2535 B10R0.41 CCCCCN[C@@H](CC)CO 2230a_100000709445_100000210326 [0,1,0,0,0,0|2,0,0]=3 2536 B10R0.41 CCCCCOC(CC)CC 7a_100000210253_100000210505 [0,1,0,0,0,0|3,0,0]=4 2537 B10R0.41 CCCCCOC(CC)CC 7a_100000688536_100000210326 [0,1,0,0,0,0|3,0,0]=4 2538 B10R0.41 CCCCCOC(CCl)CCl 7a_100000737055_100000210326 [0,1,0,0,0,0|3,0,0]=4 2539 B10R0.41 CCCCCOC(CF)CF 34a_100000032261_100000718602 [0,1,0,0,0,0|3,0,0]=4 2540 B10R0.41 CCCCCOC(CF)CF 7a_100000032261_100000210326 [0,1,0,0,0,0|3,0,0]=4 2541 B10R0.41 CCCCCOC(CN)CN 34a_100000031598_100000718602 [0,1,0,0,0,0|3,0,0]=4 2542 B10R0.41 CCCCCO[C@@H](CF)CCl 34a_100015614560_100000718602 [0,1,0,0,0,0|3,0,0]=4 2543 B10R0.41 CCCCCO[C@@H](CF)CCl 7a_100015614560_100000210326 [0,1,0,0,0,0|3,0,0]=4 2544 B10R0.41 CCCCCSC(CC)CC 62a_100000210326_100000210505 [0,1,0,0,0,0|3,0,0]=4 2545 B10R0.41 CCCCCSC(CC)CC 62a_100000210505_100000210326 [0,1,0,0,0,0|3,0,0]=4 2546 B10R0.41 CCCCNCC(CC)CC 2230a_100000102301_100011215472 [0,1,0,0,0,0|3,0,0]=4 2547 B10R0.41 CCCCNCC(CC)CC 2230a_100102946423_100000210211 [0,1,0,0,0,0|3,0,0]=4 2548 B10R0.41 CCCCNCC(CC)CC 269862a_100000102301_100000211137 [0,1,0,0,0,0|3,0,0]=4 2549 B10R0.41 CCCCNCC(CC)CC 270004a_100000102301_100000211137 [0,1,0,0,0,0|3,0,0]=4 2550 B10R0.41 CCCCNCC(CC)CC 7a_106832991798_100011215472 [0,1,0,0,0,0|3,0,0]=4 2551 B10R0.41 CCCCNCC(OC)OC 2230a_100000102301_100000751394 [0,1,0,0,0,0|3,0,0]=4 2552 B10R0.41 CCCCNCC(OC)OC 270004a_100000102301_100000752162 [0,1,0,0,0,0|3,0,0]=4 2553 B10R0.41 CCCCNCC(OC)OC 7a_106832991798_100000751394 [0,1,0,0,0,0|3,0,0]=4 2554 B10R0.41 CCCCNN=C(CO)CO 4a_100025702795_100000036256 [0,1,0,0,0,0|2,0,1]=4 2555 B10R0.41 CCCCOCC(CC)CC 34a_100000210227_100011215472 [0,1,0,0,0,0|3,0,0]=4 2556 B10R0.41 CCCCOCC(CC)CC 7a_100000210227_100011215472 [0,1,0,0,0,0|3,0,0]=4 2557 B10R0.41 CCCCOCC(CC)CC 7a_100000703878_100000210211 [0,1,0,0,0,0|3,0,0]=4 2558 B10R0.41 CCCCOCC(CC)OC 34a_100011934954_100000210210 [0,1,0,0,0,0|2,0,0]=3 2559 B10R0.41 CCCCOCC(CC)OC 7a_100011934954_100000210211 [0,1,0,0,0,0|2,0,0]=3 2560 B10R0.41 CCCCOCC(OC)OC 34a_100000210227_100000211822 [0,1,0,0,0,0|3,0,0]=4 2561 B10R0.41 CCCCOCC(OC)OC 34a_100011216393_100000210210 [0,1,0,0,0,0|3,0,0]=4 2562 B10R0.41 CCCCOCC(OC)OC 7a_100000210227_100000751394 [0,1,0,0,0,0|3,0,0]=4 2563 B10R0.41 CCCCSCC(CC)CC 62a_100000210211_100011215472 [0,1,0,0,0,0|3,0,0]=4 2564 B10R0.41 CCCCSCC(CC)CC 62a_100011215472_100000210210 [0,1,0,0,0,0|3,0,0]=4 2565 B10R0.41 CCCCSCC(OC)OC 62a_100000210211_100000751394 [0,1,0,0,0,0|3,0,0]=4 2566 B10R0.41 CCCCSCC(OC)OC 62a_100000751394_100000210210 [0,1,0,0,0,0|3,0,0]=4 2567 B10R0.41 CCCOCCC(OC)OC 34a_100000210258_100000139399 [0,1,0,0,0,0|3,0,0]=4 2568 B10R0.41 CCCSCCC(OC)OC 62a_100000139399_100000210303 [0,1,0,0,0,0|3,0,0]=4 2569 B10R0.41 CCCSCCC(OC)OC 62a_100000210303_100000139399 [0,1,0,0,0,0|3,0,0]=4 2570 B10R0.41 CCNCCCC(OC)OC 2230a_100015525214_100000069011 [0,1,0,0,0,0|3,0,0]=4 2571 B10R0.41 CCOCCCC(OC)OC 34a_100121572206_100000069011 [0,1,0,0,0,0|3,0,0]=4 2572 B10R0.41 CCOCCNC(CO)CO 2230a_100000759517_100011215890 [0,1,0,0,0,0|2,0,0]=3 2573 B10R0.41 CCOCCN[C@@H](CC)CO 2230a_100000709445_100011215890 [0,1,0,0,0,0|3,0,0]=4 2574 B10R0.41 CCSCCCC(OC)OC 62a_100000069011_100000210202 [0,1,0,0,0,0|3,0,0]=4 2575 B10R0.41 CCSCCCC(OC)OC 62a_100000210202_100000069011 [0,1,0,0,0,0|3,0,0]=4 2576 B10R0.41 CCSCCNC(CO)CO 2230a_100000759517_100000757381 [0,1,0,0,0,0|2,0,0]=3 2577 B10R0.41 CCSCCN[C@@H](CC)CO 2230a_100000709445_100000757381 [0,1,0,0,0,0|3,0,0]=4 2578 B10R0.41 CC[C@@H](CO)NCCCCF 2230a_100000709445_100000729493 [0,1,0,0,0,0|3,0,0]=4 2579 B10R0.41 CC[C@@H](CO)NCCCCO 2230a_100000709445_100000210776 [0,1,0,0,0,0|3,0,0]=4 2580 B10R0.41 CC[C@@H](CO)NCCCOC 2230a_100000709445_100000740836 [0,1,0,0,0,0|3,0,0]=4 2581 B10R0.41 COCCCNC(CO)CO 2230a_100000759517_100000740836 [0,1,0,0,0,0|2,0,0]=3 2582 B10R0.41 N#CCCCNC(CO)CO 2230a_100000759517_100000687738 [0,1,0,0,0,0|2,0,1]=4 2583 B10R0.41 O=CCCCNC(CO)CO 2230a_100000759517_200011292268 [0,1,0,0,0,0|2,0,1]=4 2584 B10R0.41 OCC(CO)NCCCCF 2230a_100000759517_100000729493 [0,1,0,0,0,0|2,0,0]=3 2585 B10R0.41 OCCCCNC(CO)CO 2230a_100000759517_100000210776 [0,1,0,0,0,0|2,0,0]=3 2586 B10R0.55 C=C(Br)CCOCC(O)CO 34a_100009813270_100011219619 [0,1,0,0,0,0|1,0,2]=4 2587 B10R0.55 C=C(Br)CCOC[C@@H](O)CO 34a_100009813270_100009815848 [0,1,0,0,0,0|1,0,2]=4 2588 B10R0.55 C=C(C)CCNCC(C)CO 34a_100000744482_100000730704 [0,1,0,0,0,0|2,0,1]=4 2589 B10R0.55 C=C(C)CCNCC(O)CC 2230a_100011218483_100000730704 [0,1,0,0,0,0|2,0,1]=4 2590 B10R0.55 C=C(C)CCNC[C@@H](F)CO 34a_100015665980_100000730704 [0,1,0,0,0,0|2,0,1]=4 2591 B10R0.55 C=C(C)CCNC[C@H](O)CO 2230a_100020644852_100000730704 [0,1,0,0,0,0|1,0,1]=3 2592 B10R0.55 C=C(C)CCOCC(O)CC 34a_100000764851_100011218378 [0,1,0,0,0,0|2,0,1]=4 2593 B10R0.55 C=C(C)CCOCC(O)CO 34a_100000764851_100011219619 [0,1,0,0,0,0|1,0,1]=3 2594 B10R0.55 C=C(C)CCOC[C@@H](C)CO 34a_100000764851_100000059175 [0,1,0,0,0,0|2,0,1]=4 2595 B10R0.55 C=C(C)CCOC[C@@H](O)CF 34a_100000764851_100015614560 [0,1,0,0,0,0|2,0,1]=4 2596 B10R0.55 C=C(C)CCOC[C@@H](O)CO 34a_100000764851_100009815848 [0,1,0,0,0,0|1,0,1]=3 2597 B10R0.55 C=C(C)CCSCC(O)CC 62a_100000730704_100011218378 [0,1,0,0,0,0|2,0,1]=4 2598 B10R0.55 C=C(C)CCSCC(O)CC 62a_100011218378_100000730704 [0,1,0,0,0,0|2,0,1]=4 2599 B10R0.55 C=C(C)CCSCC(O)CO 62a_100000730704_100011219619 [0,1,0,0,0,0|1,0,1]=3 2600 B10R0.55 C=C(C)CCSCC(O)CO 62a_100011219619_100000730704 [0,1,0,0,0,0|1,0,1]=3 2601 B10R0.55 C=C(C)CCSC[C@@H](C)CO 62a_100000059175_100000730704 [0,1,0,0,0,0|2,0,1]=4 2602 B10R0.55 C=C(C)CCSC[C@@H](C)CO 62a_100000730704_100000059175 [0,1,0,0,0,0|2,0,1]=4 2603 B10R0.55 C=C(C)CCSC[C@@H](O)CF 62a_100000730704_100015614560 [0,1,0,0,0,0|2,0,1]=4 2604 B10R0.55 C=C(C)CCSC[C@@H](O)CF 62a_100015614560_100000730704 [0,1,0,0,0,0|2,0,1]=4 2605 B10R0.55 C=C(C)CCSC[C@@H](O)CO 62a_100000730704_100009815848 [0,1,0,0,0,0|1,0,1]=3 2606 B10R0.55 C=C(C)CCSC[C@@H](O)CO 62a_100009815848_100000730704 [0,1,0,0,0,0|1,0,1]=3 2607 B10R0.55 C=C(C)CNCCC(C)CO 2230a_106354213184_100000748629 [0,1,0,0,0,0|2,0,1]=4 2608 B10R0.55 C=C(C)CNCCC(C)CO 34a_106354213184_100000748629 [0,1,0,0,0,0|2,0,1]=4 2609 B10R0.55 C=CC(O)CNCCC(C)O 2230a_200000755665_100000730141 [0,1,0,0,0,0|2,0,1]=4 2610 B10R0.55 C=CC(O)COCCC(C)Br 34a_100009893172_100000730141 [0,1,0,0,0,0|2,0,1]=4 2611 B10R0.55 C=CC(O)COCCC(C)C 34a_100000210254_100000730141 [0,1,0,0,0,0|2,0,1]=4 2612 B10R0.55 C=CC(O)COCCC(C)C 7a_100000210254_100000730141 [0,1,0,0,0,0|2,0,1]=4 2613 B10R0.55 C=CC(O)COCC[C@@H](C)N 34a_100000706166_100000730141 [0,1,0,0,0,0|2,0,1]=4 2614 B10R0.55 C=CC(O)CSCCC(C)C 62a_100000210312_100000730141 [0,1,0,0,0,0|2,0,1]=4 2615 B10R0.55 C=CC(O)CSCCC(C)C 62a_100000730141_100000210312 [0,1,0,0,0,0|2,0,1]=4 2616 B10R0.55 C=CC(O)CSCCC(C)O 62a_100000730141_100012276601 [0,1,0,0,0,0|2,0,1]=4 2617 B10R0.55 C=CC(O)CSCCC(C)O 62a_100012276601_100000730141 [0,1,0,0,0,0|2,0,1]=4 2618 B10R0.55 CC(=CCNCC(O)CO)C 34a_100000718196_100011219619 [0,1,0,0,0,0|1,0,2]=4 2619 B10R0.55 CC(=CCNC[C@@H](O)CO)C 34a_100000718196_100009815848 [0,1,0,0,0,0|1,0,2]=4 2620 B10R0.55 CC(=CCNC[C@H](O)CO)C 2230a_100020644852_100000761012 [0,1,0,0,0,0|1,0,2]=4 2621 B10R0.55 CC(=CCOCC(O)CO)C 34a_100000753907_100011219619 [0,1,0,0,0,0|1,0,2]=4 2622 B10R0.55 CC(=CCOC[C@@H](O)CO)C 34a_100000753907_100009815848 [0,1,0,0,0,0|1,0,2]=4 2623 B10R0.55 CC(=CCSCC(O)CO)C 62a_100000761012_100011219619 [0,1,0,0,0,0|1,0,2]=4 2624 B10R0.55 CC(=CCSCC(O)CO)C 62a_100011219619_100000761012 [0,1,0,0,0,0|1,0,2]=4 2625 B10R0.55 CC(=CCSC[C@@H](O)CO)C 62a_100000761012_100009815848 [0,1,0,0,0,0|1,0,2]=4 2626 B10R0.55 CC(=CCSC[C@@H](O)CO)C 62a_100009815848_100000761012 [0,1,0,0,0,0|1,0,2]=4 2627 B10R0.55 CC(=O)CCCCC(=O)CO 1458a_100000210174_100000735457 [0,1,0,0,0,0|0,0,3]=4 2628 B10R0.55 CC(=O)CCCOC(C)CO 34a_100000759063_100012180447 [0,1,0,0,0,0|2,0,1]=4 2629 B10R0.55 CC(=O)CCCOC(C)CO 7a_100000759063_100012180447 [0,1,0,0,0,0|2,0,1]=4 2630 B10R0.55 CC(=O)CCCSC(C)CO 62a_100012180447_100011215641 [0,1,0,0,0,0|2,0,1]=4 2631 B10R0.55 CC(=O)CCCS[C@H](C)CO 62a_100011215641_100016084084 [0,1,0,0,0,0|2,0,1]=4 2632 B10R0.55 CC(=O)CCCS[C@H](C)CO 62a_100016084084_100011215641 [0,1,0,0,0,0|2,0,1]=4 2633 B10R0.55 CC(=O)CCOCC(O)CO 34a_100000759926_100011219619 [0,1,0,0,0,0|1,0,1]=3 2634 B10R0.55 CC(=O)CCOCC(O)CO 7a_100000759926_100011219619 [0,1,0,0,0,0|1,0,1]=3 2635 B10R0.55 CC(=O)CCOC[C@@H](C)CO 34a_100000759926_100000059175 [0,1,0,0,0,0|2,0,1]=4 2636 B10R0.55 CC(=O)CCOC[C@@H](C)CO 7a_100000759926_100000059175 [0,1,0,0,0,0|2,0,1]=4 2637 B10R0.55 CC(=O)CCOC[C@@H](O)CF 34a_100000759926_100015614560 [0,1,0,0,0,0|2,0,1]=4 2638 B10R0.55 CC(=O)CCOC[C@@H](O)CF 7a_100000759926_100015614560 [0,1,0,0,0,0|2,0,1]=4 2639 B10R0.55 CC(=O)CCOC[C@@H](O)CO 34a_100000759926_100009815848 [0,1,0,0,0,0|1,0,1]=3 2640 B10R0.55 CC(=O)CCOC[C@@H](O)CO 7a_100000759926_100009815848 [0,1,0,0,0,0|1,0,1]=3 2641 B10R0.55 CC(=O)CCSCC(O)CO 62a_100000053229_100011219619 [0,1,0,0,0,0|1,0,1]=3 2642 B10R0.55 CC(=O)CCSCC(O)CO 62a_100011219619_100000053229 [0,1,0,0,0,0|1,0,1]=3 2643 B10R0.55 CC(=O)CCSC[C@@H](C)CO 62a_100000053229_100000059175 [0,1,0,0,0,0|2,0,1]=4 2644 B10R0.55 CC(=O)CCSC[C@@H](C)CO 62a_100000059175_100000053229 [0,1,0,0,0,0|2,0,1]=4 2645 B10R0.55 CC(=O)CCSC[C@@H](O)CF 62a_100000053229_100015614560 [0,1,0,0,0,0|2,0,1]=4 2646 B10R0.55 CC(=O)CCSC[C@@H](O)CF 62a_100015614560_100000053229 [0,1,0,0,0,0|2,0,1]=4 2647 B10R0.55 CC(=O)CCSC[C@@H](O)CO 62a_100000053229_100009815848 [0,1,0,0,0,0|1,0,1]=3 2648 B10R0.55 CC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000053229 [0,1,0,0,0,0|1,0,1]=3 2649 B10R0.55 CC(=O)OCSCC(O)CO 62a_100000076356_100011219619 [0,1,0,0,0,0|2,0,1]=4 2650 B10R0.55 CC(=O)OCSCC(O)CO 62a_100011219619_100000076356 [0,1,0,0,0,0|2,0,1]=4 2651 B10R0.55 CC(=O)OCSC[C@@H](O)CO 62a_100000076356_100009815848 [0,1,0,0,0,0|2,0,1]=4 2652 B10R0.55 CC(=O)OCSC[C@@H](O)CO 62a_100009815848_100000076356 [0,1,0,0,0,0|2,0,1]=4 2653 B10R0.55 CC(Br)CCOCC(O)CO 34a_100009893172_100011219619 [0,1,0,0,0,0|1,0,0]=2 2654 B10R0.55 CC(Br)CCOC[C@@H](C)CO 34a_100009893172_100000059175 [0,1,0,0,0,0|2,0,0]=3 2655 B10R0.55 CC(Br)CCOC[C@@H](O)CF 34a_100009893172_100015614560 [0,1,0,0,0,0|2,0,0]=3 2656 B10R0.55 CC(Br)CCOC[C@@H](O)CO 34a_100009893172_100009815848 [0,1,0,0,0,0|1,0,0]=2 2657 B10R0.55 CC(C)CCCCC(=O)CF 1458a_100011933920_100015361967 [0,1,0,0,0,0|1,0,2]=4 2658 B10R0.55 CC(C)CCCCC(=O)CO 1458a_100000210174_100011216152 [0,1,0,0,0,0|0,0,2]=3 2659 B10R0.55 CC(C)CCCNC(=O)CO 240690a_200000737386_100000210174 [0,1,0,0,0,0|1,0,2]=4 2660 B10R0.55 CC(C)CCCNC(=O)CO 527a_200000737386_100000210174 [0,1,0,0,0,0|1,0,2]=4 2661 B10R0.55 CC(C)CCCNC(C)CO 2230a_200000737386_100012180447 [0,1,0,0,0,0|2,0,0]=3 2662 B10R0.55 CC(C)CCCNC(C)CO 34a_200000737386_100012180447 [0,1,0,0,0,0|2,0,0]=3 2663 B10R0.55 CC(C)CCCN[C@H](C)CO 2230a_100000737577_100011214892 [0,1,0,0,0,0|2,0,0]=3 2664 B10R0.55 CC(C)CCCOC(C)CF 34a_100016041109_100011214892 [0,1,0,0,0,0|3,0,0]=4 2665 B10R0.55 CC(C)CCCOC(C)CF 7a_100016041109_100011214892 [0,1,0,0,0,0|3,0,0]=4 2666 B10R0.55 CC(C)CCCOC(C)CN 34a_100000210904_100011214892 [0,1,0,0,0,0|3,0,0]=4 2667 B10R0.55 CC(C)CCCOC(C)CO 34a_100000210774_100012180447 [0,1,0,0,0,0|2,0,0]=3 2668 B10R0.55 CC(C)CCCOC(C)CO 7a_100000210774_100012180447 [0,1,0,0,0,0|2,0,0]=3 2669 B10R0.55 CC(C)CCCSC(C)CO 62a_100012180447_100011214892 [0,1,0,0,0,0|2,0,0]=3 2670 B10R0.55 CC(C)CCCS[C@H](C)CO 62a_100011214892_100016084084 [0,1,0,0,0,0|2,0,0]=3 2671 B10R0.55 CC(C)CCCS[C@H](C)CO 62a_100016084084_100011214892 [0,1,0,0,0,0|2,0,0]=3 2672 B10R0.55 CC(C)CCNCC(C)CO 269862a_100000744482_100000185833 [0,1,0,0,0,0|2,0,0]=3 2673 B10R0.55 CC(C)CCNCC(C)CO 34a_100000744482_100000210312 [0,1,0,0,0,0|2,0,0]=3 2674 B10R0.55 CC(C)CCNC[C@@H](F)CO 269862a_100015665980_100000185833 [0,1,0,0,0,0|2,0,0]=3 2675 B10R0.55 CC(C)CCNC[C@@H](F)CO 34a_100015665980_100000210312 [0,1,0,0,0,0|2,0,0]=3 2676 B10R0.55 CC(C)CCNC[C@H](O)CO 2230a_100020644852_100000210312 [0,1,0,0,0,0|1,0,0]=2 2677 B10R0.55 CC(C)CCNC[C@H](O)CO 269862a_100020644852_100000185833 [0,1,0,0,0,0|1,0,0]=2 2678 B10R0.55 CC(C)CCOCC(C)CN 34a_100000744482_100000210312 [0,1,0,0,0,0|3,0,0]=4 2679 B10R0.55 CC(C)CCOCC(Cl)CCl 34a_100000033668_100000210312 [0,1,0,0,0,0|3,0,0]=4 2680 B10R0.55 CC(C)CCOCC(O)CO 34a_100000210254_100011219619 [0,1,0,0,0,0|1,0,0]=2 2681 B10R0.55 CC(C)CCOCC(O)CO 7a_100000210254_100011219619 [0,1,0,0,0,0|1,0,0]=2 2682 B10R0.55 CC(C)CCOC[C@@H](C)CO 34a_100000210254_100000059175 [0,1,0,0,0,0|2,0,0]=3 2683 B10R0.55 CC(C)CCOC[C@@H](C)CO 7a_100000210254_100000059175 [0,1,0,0,0,0|2,0,0]=3 2684 B10R0.55 CC(C)CCOC[C@@H](O)CF 34a_100000210254_100015614560 [0,1,0,0,0,0|2,0,0]=3 2685 B10R0.55 CC(C)CCOC[C@@H](O)CF 7a_100000210254_100015614560 [0,1,0,0,0,0|2,0,0]=3 2686 B10R0.55 CC(C)CCOC[C@@H](O)CO 34a_100000210254_100009815848 [0,1,0,0,0,0|1,0,0]=2 2687 B10R0.55 CC(C)CCOC[C@@H](O)CO 7a_100000210254_100009815848 [0,1,0,0,0,0|1,0,0]=2 2688 B10R0.55 CC(C)CCOC[C@H](F)CN 34a_100015665980_100000210312 [0,1,0,0,0,0|3,0,0]=4 2689 B10R0.55 CC(C)CCSCC(O)CO 62a_100000210312_100011219619 [0,1,0,0,0,0|1,0,0]=2 2690 B10R0.55 CC(C)CCSCC(O)CO 62a_100011219619_100000210312 [0,1,0,0,0,0|1,0,0]=2 2691 B10R0.55 CC(C)CCSC[C@@H](C)CO 62a_100000059175_100000210312 [0,1,0,0,0,0|2,0,0]=3 2692 B10R0.55 CC(C)CCSC[C@@H](C)CO 62a_100000210312_100000059175 [0,1,0,0,0,0|2,0,0]=3 2693 B10R0.55 CC(C)CCSC[C@@H](O)CF 62a_100000210312_100015614560 [0,1,0,0,0,0|2,0,0]=3 2694 B10R0.55 CC(C)CCSC[C@@H](O)CF 62a_100015614560_100000210312 [0,1,0,0,0,0|2,0,0]=3 2695 B10R0.55 CC(C)CCSC[C@@H](O)CO 62a_100000210312_100009815848 [0,1,0,0,0,0|1,0,0]=2 2696 B10R0.55 CC(C)CCSC[C@@H](O)CO 62a_100009815848_100000210312 [0,1,0,0,0,0|1,0,0]=2 2697 B10R0.55 CC(C)CNCCC(C)CO 2230a_106354213184_100000210760 [0,1,0,0,0,0|2,0,0]=3 2698 B10R0.55 CC(C)CNCCC(C)CO 270004a_106354213184_100000210432 [0,1,0,0,0,0|2,0,0]=3 2699 B10R0.55 CC(C)CNCCC(C)CO 34a_106354213184_100000210624 [0,1,0,0,0,0|2,0,0]=3 2700 B10R0.55 CC(C)NCCOC(C)CO 34a_100000224655_100012180447 [0,1,0,0,0,0|3,0,0]=4 2701 B10R0.55 CC(C)OCCC[C@@H](C)CN 34a_100160569302_100000210206 [0,1,0,0,0,0|3,0,0]=4 2702 B10R0.55 CC(C)OCCN[C@H](C)CO 2230a_100000737577_100000211751 [0,1,0,0,0,0|3,0,0]=4 2703 B10R0.55 CC(C)OCCOC(C)CO 34a_100000211219_100012180447 [0,1,0,0,0,0|3,0,0]=4 2704 B10R0.55 CC(C)OCCOC(C)CO 7a_100000211219_100012180447 [0,1,0,0,0,0|3,0,0]=4 2705 B10R0.55 CC(C)OCCSC(C)CO 62a_100012180447_100000211751 [0,1,0,0,0,0|3,0,0]=4 2706 B10R0.55 CC(C)OCCS[C@H](C)CO 62a_100000211751_100016084084 [0,1,0,0,0,0|3,0,0]=4 2707 B10R0.55 CC(C)OCCS[C@H](C)CO 62a_100016084084_100000211751 [0,1,0,0,0,0|3,0,0]=4 2708 B10R0.55 CC(C)OCNC[C@@H](F)CO 34a_100015665980_100000709892 [0,1,0,0,0,0|3,0,0]=4 2709 B10R0.55 CC(C)OCNC[C@H](O)CO 2230a_100020644852_100000709892 [0,1,0,0,0,0|2,0,0]=3 2710 B10R0.55 CC(C)OCSCC(O)CO 62a_100000709892_100011219619 [0,1,0,0,0,0|2,0,0]=3 2711 B10R0.55 CC(C)OCSCC(O)CO 62a_100011219619_100000709892 [0,1,0,0,0,0|2,0,0]=3 2712 B10R0.55 CC(C)OCSC[C@@H](C)CO 62a_100000059175_100000709892 [0,1,0,0,0,0|3,0,0]=4 2713 B10R0.55 CC(C)OCSC[C@@H](C)CO 62a_100000709892_100000059175 [0,1,0,0,0,0|3,0,0]=4 2714 B10R0.55 CC(C)OCSC[C@@H](O)CF 62a_100000709892_100015614560 [0,1,0,0,0,0|3,0,0]=4 2715 B10R0.55 CC(C)OCSC[C@@H](O)CF 62a_100015614560_100000709892 [0,1,0,0,0,0|3,0,0]=4 2716 B10R0.55 CC(C)OCSC[C@@H](O)CO 62a_100000709892_100009815848 [0,1,0,0,0,0|2,0,0]=3 2717 B10R0.55 CC(C)OCSC[C@@H](O)CO 62a_100009815848_100000709892 [0,1,0,0,0,0|2,0,0]=3 2718 B10R0.55 CC(C)SCCN[C@H](C)CO 2230a_100000737577_100000730970 [0,1,0,0,0,0|3,0,0]=4 2719 B10R0.55 CC(C)SCCSC(C)CO 62a_100012180447_100000730970 [0,1,0,0,0,0|3,0,0]=4 2720 B10R0.55 CC(C)SCCS[C@H](C)CO 62a_100000730970_100016084084 [0,1,0,0,0,0|3,0,0]=4 2721 B10R0.55 CC(C)SCCS[C@H](C)CO 62a_100016084084_100000730970 [0,1,0,0,0,0|3,0,0]=4 2722 B10R0.55 CC(CO)CCNCC(F)F 2230a_106354213184_100011934356 [0,1,0,0,0,0|3,0,0]=4 2723 B10R0.55 CC(CO)CCNCC(F)F 34a_106354213184_100011934356 [0,1,0,0,0,0|3,0,0]=4 2724 B10R0.55 CC(CO)CCNC[C@@H](C)O 2230a_106354213184_100009817552 [0,1,0,0,0,0|2,0,0]=3 2725 B10R0.55 CC(CO)CCNC[C@@H](C)O 34a_106354213184_100009817552 [0,1,0,0,0,0|2,0,0]=3 2726 B10R0.55 CC(CO)CNCOC(C)C 34a_100000744482_100000709892 [0,1,0,0,0,0|3,0,0]=4 2727 B10R0.55 CC(CO)NCCCS(=O)C 2230a_200000753449_100012180447 [0,1,0,0,0,0|3,0,0]=4 2728 B10R0.55 CC(CO)NCCOC(C)C 2230a_100000701111_100012180447 [0,1,0,0,0,0|3,0,0]=4 2729 B10R0.55 CC(CO)NCCOC(C)C 34a_100000701111_100012180447 [0,1,0,0,0,0|3,0,0]=4 2730 B10R0.55 CC(CO)NCCSC(C)C 2230a_100000731138_100012180447 [0,1,0,0,0,0|3,0,0]=4 2731 B10R0.55 CC(CO)NCCSC(C)C 34a_100000731138_100012180447 [0,1,0,0,0,0|3,0,0]=4 2732 B10R0.55 CC(CO)OCCSC(C)C 34a_200011212901_100012180447 [0,1,0,0,0,0|3,0,0]=4 2733 B10R0.55 CC(CO)OCCSC(C)C 7a_200011212901_100012180447 [0,1,0,0,0,0|3,0,0]=4 2734 B10R0.55 CC(CO)SCCCN(C)C 62a_100012180447_100000757444 [0,1,0,0,0,0|3,0,0]=4 2735 B10R0.55 CC(O)CCCN[C@H](C)CO 2230a_100000737577_200000718107 [0,1,0,0,0,0|2,0,0]=3 2736 B10R0.55 CC(O)CCCOC(C)CF 34a_100016041109_200000718107 [0,1,0,0,0,0|3,0,0]=4 2737 B10R0.55 CC(O)CCCOC(C)CF 7a_100016041109_200000718107 [0,1,0,0,0,0|3,0,0]=4 2738 B10R0.55 CC(O)CCCOC(C)CN 34a_100000210904_200000718107 [0,1,0,0,0,0|3,0,0]=4 2739 B10R0.55 CC(O)CCCSC(C)CO 62a_100012180447_200000718107 [0,1,0,0,0,0|2,0,0]=3 2740 B10R0.55 CC(O)CCCS[C@H](C)CO 62a_100016084084_200000718107 [0,1,0,0,0,0|2,0,0]=3 2741 B10R0.55 CC(O)CCCS[C@H](C)CO 62a_200000718107_100016084084 [0,1,0,0,0,0|2,0,0]=3 2742 B10R0.55 CC(O)CCNCC(C)CO 34a_100000744482_100012276601 [0,1,0,0,0,0|2,0,0]=3 2743 B10R0.55 CC(O)CCNCC(O)CO 2230a_200000755665_100011219619 [0,1,0,0,0,0|1,0,0]=2 2744 B10R0.55 CC(O)CCNC[C@@H](C)CO 2230a_200000755665_100000059175 [0,1,0,0,0,0|2,0,0]=3 2745 B10R0.55 CC(O)CCNC[C@@H](F)CO 34a_100015665980_100012276601 [0,1,0,0,0,0|2,0,0]=3 2746 B10R0.55 CC(O)CCNC[C@@H](O)CF 2230a_200000755665_100015614560 [0,1,0,0,0,0|2,0,0]=3 2747 B10R0.55 CC(O)CCNC[C@@H](O)CO 2230a_200000755665_100009815848 [0,1,0,0,0,0|1,0,0]=2 2748 B10R0.55 CC(O)CCNC[C@H](O)CO 2230a_100020644852_100012276601 [0,1,0,0,0,0|1,0,0]=2 2749 B10R0.55 CC(O)CCOCC(C)CN 34a_100000744482_100012276601 [0,1,0,0,0,0|3,0,0]=4 2750 B10R0.55 CC(O)CCOCC(Cl)CCl 34a_100000033668_100012276601 [0,1,0,0,0,0|3,0,0]=4 2751 B10R0.55 CC(O)CCOC[C@H](F)CN 34a_100015665980_100012276601 [0,1,0,0,0,0|3,0,0]=4 2752 B10R0.55 CC(O)CCSCC(O)CO 62a_100011219619_100012276601 [0,1,0,0,0,0|1,0,0]=2 2753 B10R0.55 CC(O)CCSCC(O)CO 62a_100012276601_100011219619 [0,1,0,0,0,0|1,0,0]=2 2754 B10R0.55 CC(O)CCSC[C@@H](C)CO 62a_100000059175_100012276601 [0,1,0,0,0,0|2,0,0]=3 2755 B10R0.55 CC(O)CCSC[C@@H](C)CO 62a_100012276601_100000059175 [0,1,0,0,0,0|2,0,0]=3 2756 B10R0.55 CC(O)CCSC[C@@H](O)CF 62a_100012276601_100015614560 [0,1,0,0,0,0|2,0,0]=3 2757 B10R0.55 CC(O)CCSC[C@@H](O)CF 62a_100015614560_100012276601 [0,1,0,0,0,0|2,0,0]=3 2758 B10R0.55 CC(O)CCSC[C@@H](O)CO 62a_100009815848_100012276601 [0,1,0,0,0,0|1,0,0]=2 2759 B10R0.55 CC(O)CCSC[C@@H](O)CO 62a_100012276601_100009815848 [0,1,0,0,0,0|1,0,0]=2 2760 B10R0.55 CC(O)CNCCC(C)CO 2230a_106354213184_100011218427 [0,1,0,0,0,0|2,0,0]=3 2761 B10R0.55 CC(O)CNCCC(C)CO 34a_106354213184_100011218427 [0,1,0,0,0,0|2,0,0]=3 2762 B10R0.55 CC(O)CNN=CC(O)CO 4a_200000730056_100000033539 [0,1,0,0,0,0|2,0,1]=4 2763 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100000210414_100011216152 [0,1,0,0,0,0|1,0,2]=4 2764 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100011933920_100000210202 [0,1,0,0,0,0|1,0,2]=4 2765 B10R0.55 CCC(C)CCCOC(C)C 7a_100011216074_100000210206 [0,1,0,0,0,0|3,0,0]=4 2766 B10R0.55 CCC(C)CCNCC(C)C 2230a_100020591266_100000210760 [0,1,0,0,0,0|3,0,0]=4 2767 B10R0.55 CCC(C)CCNCC(C)C 270004a_100020591266_100000210432 [0,1,0,0,0,0|3,0,0]=4 2768 B10R0.55 CCC(C)CCNCC(C)O 2230a_100020591266_100011218427 [0,1,0,0,0,0|3,0,0]=4 2769 B10R0.55 CCC(C)CCNC[C@@H](C)O 2230a_100020591266_100009817552 [0,1,0,0,0,0|3,0,0]=4 2770 B10R0.55 CCC(C)CCOCC(C)C 7a_100011215188_100000210760 [0,1,0,0,0,0|3,0,0]=4 2771 B10R0.55 CCC(C)CCOCC(C)O 7a_100011215188_100011218427 [0,1,0,0,0,0|3,0,0]=4 2772 B10R0.55 CCC(C)CCOC[C@@H](C)O 7a_100011215188_100009817552 [0,1,0,0,0,0|3,0,0]=4 2773 B10R0.55 CCC(C)CNCCC(C)C 2230a_100020588543_100000210312 [0,1,0,0,0,0|3,0,0]=4 2774 B10R0.55 CCC(C)CNCCC(C)C 269862a_100020588543_100000185833 [0,1,0,0,0,0|3,0,0]=4 2775 B10R0.55 CCC(C)CNCCC(C)C 270004a_100000210545_100000243153 [0,1,0,0,0,0|3,0,0]=4 2776 B10R0.55 CCC(C)CNCCC(C)O 2230a_100020588543_100012276601 [0,1,0,0,0,0|3,0,0]=4 2777 B10R0.55 CCC(C)CNCCC(C)O 2230a_200000755665_100000748023 [0,1,0,0,0,0|3,0,0]=4 2778 B10R0.55 CCC(C)CNCCC(C)O 270004a_200000755665_100000243153 [0,1,0,0,0,0|3,0,0]=4 2779 B10R0.55 CCC(C)COCCC(C)Br 34a_100009893172_100000748023 [0,1,0,0,0,0|3,0,0]=4 2780 B10R0.55 CCC(C)COCCC(C)C 34a_100000210254_100000748023 [0,1,0,0,0,0|3,0,0]=4 2781 B10R0.55 CCC(C)COCCC(C)C 7a_100000210254_100000748023 [0,1,0,0,0,0|3,0,0]=4 2782 B10R0.55 CCC(C)COCC[C@@H](C)N 34a_100000706166_100000748023 [0,1,0,0,0,0|3,0,0]=4 2783 B10R0.55 CCC(C)CSCCC(C)C 62a_100000210312_100000748023 [0,1,0,0,0,0|3,0,0]=4 2784 B10R0.55 CCC(C)CSCCC(C)C 62a_100000748023_100000210312 [0,1,0,0,0,0|3,0,0]=4 2785 B10R0.55 CCC(C)CSCCC(C)O 62a_100000748023_100012276601 [0,1,0,0,0,0|3,0,0]=4 2786 B10R0.55 CCC(C)CSCCC(C)O 62a_100012276601_100000748023 [0,1,0,0,0,0|3,0,0]=4 2787 B10R0.55 CCC(C)NCCCC(C)C 2230a_100000209981_100011214892 [0,1,0,0,0,0|3,0,0]=4 2788 B10R0.55 CCC(C)NCCCC(C)C 2230a_200000737386_100000758301 [0,1,0,0,0,0|3,0,0]=4 2789 B10R0.55 CCC(C)NCCCC(C)C 34a_200000737386_100011215416 [0,1,0,0,0,0|3,0,0]=4 2790 B10R0.55 CCC(C)NCCCC(C)O 2230a_100000209981_200000718107 [0,1,0,0,0,0|3,0,0]=4 2791 B10R0.55 CCC(C)OCCCC(C)C 34a_100000210774_100011215416 [0,1,0,0,0,0|3,0,0]=4 2792 B10R0.55 CCC(C)OCCCC(C)C 7a_100000210228_100011214892 [0,1,0,0,0,0|3,0,0]=4 2793 B10R0.55 CCC(C)OCCCC(C)C 7a_100000210774_100000758301 [0,1,0,0,0,0|3,0,0]=4 2794 B10R0.55 CCC(C)OCCCC(C)O 7a_100000210228_200000718107 [0,1,0,0,0,0|3,0,0]=4 2795 B10R0.55 CCC(C)SCCCC(C)C 62a_100000758301_100011214892 [0,1,0,0,0,0|3,0,0]=4 2796 B10R0.55 CCC(C)SCCCC(C)C 62a_100011214892_100000758301 [0,1,0,0,0,0|3,0,0]=4 2797 B10R0.55 CCC(C)SCCCC(C)O 62a_100000758301_200000718107 [0,1,0,0,0,0|3,0,0]=4 2798 B10R0.55 CCC(C)SCCCC(C)O 62a_200000718107_100000758301 [0,1,0,0,0,0|3,0,0]=4 2799 B10R0.55 CCC(O)CNCCC(C)C 2230a_100011218483_100000210312 [0,1,0,0,0,0|2,0,0]=3 2800 B10R0.55 CCC(O)CNCCC(C)C 269862a_100011218483_100000185833 [0,1,0,0,0,0|2,0,0]=3 2801 B10R0.55 CCC(O)CNCCC(C)O 2230a_100011218483_100012276601 [0,1,0,0,0,0|2,0,0]=3 2802 B10R0.55 CCC(O)CNCCC(C)O 2230a_200000755665_100011218378 [0,1,0,0,0,0|2,0,0]=3 2803 B10R0.55 CCC(O)CNCOC(C)C 2230a_100011218483_100000709892 [0,1,0,0,0,0|3,0,0]=4 2804 B10R0.55 CCC(O)COCCC(=O)C 34a_100000759926_100011218378 [0,1,0,0,0,0|2,0,1]=4 2805 B10R0.55 CCC(O)COCCC(=O)C 7a_100000759926_100011218378 [0,1,0,0,0,0|2,0,1]=4 2806 B10R0.55 CCC(O)COCCC(C)Br 34a_100009893172_100011218378 [0,1,0,0,0,0|2,0,0]=3 2807 B10R0.55 CCC(O)COCCC(C)C 34a_100000210254_100011218378 [0,1,0,0,0,0|2,0,0]=3 2808 B10R0.55 CCC(O)COCCC(C)C 7a_100000210254_100011218378 [0,1,0,0,0,0|2,0,0]=3 2809 B10R0.55 CCC(O)COCCC(F)F 34a_100103093639_100011218378 [0,1,0,0,0,0|3,0,0]=4 2810 B10R0.55 CCC(O)COCC[C@@H](C)N 34a_100000706166_100011218378 [0,1,0,0,0,0|2,0,0]=3 2811 B10R0.55 CCC(O)CSCCC(=O)C 62a_100000053229_100011218378 [0,1,0,0,0,0|2,0,1]=4 2812 B10R0.55 CCC(O)CSCCC(=O)C 62a_100011218378_100000053229 [0,1,0,0,0,0|2,0,1]=4 2813 B10R0.55 CCC(O)CSCCC(C)C 62a_100000210312_100011218378 [0,1,0,0,0,0|2,0,0]=3 2814 B10R0.55 CCC(O)CSCCC(C)C 62a_100011218378_100000210312 [0,1,0,0,0,0|2,0,0]=3 2815 B10R0.55 CCC(O)CSCCC(C)O 62a_100011218378_100012276601 [0,1,0,0,0,0|2,0,0]=3 2816 B10R0.55 CCC(O)CSCCC(C)O 62a_100012276601_100011218378 [0,1,0,0,0,0|2,0,0]=3 2817 B10R0.55 CCC(O)CSCCN(C)C 62a_100011218378_100000755713 [0,1,0,0,0,0|3,0,0]=4 2818 B10R0.55 CCC(O)CSCOC(C)C 62a_100000709892_100011218378 [0,1,0,0,0,0|3,0,0]=4 2819 B10R0.55 CCC(O)CSCOC(C)C 62a_100011218378_100000709892 [0,1,0,0,0,0|3,0,0]=4 2820 B10R0.55 CCN(C)CCCCC(C)C 2230a_100000225621_100011216152 [0,1,0,0,0,0|3,0,0]=4 2821 B10R0.55 CCN(C)CCCCC(C)C 269982a_100000225621_100011216152 [0,1,0,0,0,0|3,0,0]=4 2822 B10R0.55 CC[C@H](C)CNCCC(C)O 2230a_200000755665_100009816398 [0,1,0,0,0,0|3,0,0]=4 2823 B10R0.55 CC[C@H](C)COCCC(C)Br 34a_100009893172_100009816398 [0,1,0,0,0,0|3,0,0]=4 2824 B10R0.55 CC[C@H](C)COCCC(C)C 34a_100000210254_100009816398 [0,1,0,0,0,0|3,0,0]=4 2825 B10R0.55 CC[C@H](C)COCCC(C)C 7a_100000210254_100009816398 [0,1,0,0,0,0|3,0,0]=4 2826 B10R0.55 CC[C@H](C)COCCC(C)C 7a_100009816381_100000210626 [0,1,0,0,0,0|3,0,0]=4 2827 B10R0.55 CC[C@H](C)COCCC(C)O 7a_100009816381_100012276601 [0,1,0,0,0,0|3,0,0]=4 2828 B10R0.55 CC[C@H](C)COCC[C@@H](C)N 34a_100000706166_100009816398 [0,1,0,0,0,0|3,0,0]=4 2829 B10R0.55 CC[C@H](C)CSCCC(C)C 62a_100000210312_100009816398 [0,1,0,0,0,0|3,0,0]=4 2830 B10R0.55 CC[C@H](C)CSCCC(C)C 62a_100009816398_100000210312 [0,1,0,0,0,0|3,0,0]=4 2831 B10R0.55 CC[C@H](C)CSCCC(C)O 62a_100009816398_100012276601 [0,1,0,0,0,0|3,0,0]=4 2832 B10R0.55 CC[C@H](C)CSCCC(C)O 62a_100012276601_100009816398 [0,1,0,0,0,0|3,0,0]=4 2833 B10R0.55 CN(C)CCSCC(O)CO 62a_100011219619_100000755713 [0,1,0,0,0,0|2,0,0]=3 2834 B10R0.55 CN(C)CCSC[C@@H](O)CF 62a_100015614560_100000755713 [0,1,0,0,0,0|3,0,0]=4 2835 B10R0.55 CN(C)CCSC[C@@H](O)CO 62a_100009815848_100000755713 [0,1,0,0,0,0|2,0,0]=3 2836 B10R0.55 C[C@@H](CO)COCCC(F)F 34a_100103093639_100000059175 [0,1,0,0,0,0|3,0,0]=4 2837 B10R0.55 C[C@@H](CO)COCC[C@@H](C)N 34a_100000706166_100000059175 [0,1,0,0,0,0|2,0,0]=3 2838 B10R0.55 C[C@@H](CO)CSCCN(C)C 62a_100000059175_100000755713 [0,1,0,0,0,0|3,0,0]=4 2839 B10R0.55 C[C@@H](N)CCOCC(O)CO 34a_100000706166_100011219619 [0,1,0,0,0,0|1,0,0]=2 2840 B10R0.55 C[C@@H](N)CCOC[C@@H](O)CF 34a_100000706166_100015614560 [0,1,0,0,0,0|2,0,0]=3 2841 B10R0.55 C[C@@H](N)CCOC[C@@H](O)CO 34a_100000706166_100009815848 [0,1,0,0,0,0|1,0,0]=2 2842 B10R0.55 C[C@H](CO)SCCCN(C)C 62a_100016084084_100000757444 [0,1,0,0,0,0|3,0,0]=4 2843 B10R0.55 NC(=O)CCNC[C@H](O)CO 2230a_100020644852_100000744528 [0,1,0,0,0,0|2,0,1]=4 2844 B10R0.55 NC(=O)CCOCC(O)CO 34a_100000757172_100011219619 [0,1,0,0,0,0|2,0,1]=4 2845 B10R0.55 NC(=O)CCOCC(O)CO 7a_100000757172_100011219619 [0,1,0,0,0,0|2,0,1]=4 2846 B10R0.55 NC(=O)CCOC[C@@H](O)CO 34a_100000757172_100009815848 [0,1,0,0,0,0|2,0,1]=4 2847 B10R0.55 NC(=O)CCOC[C@@H](O)CO 7a_100000757172_100009815848 [0,1,0,0,0,0|2,0,1]=4 2848 B10R0.55 NC(=O)CCSCC(O)CO 62a_100000744528_100011219619 [0,1,0,0,0,0|2,0,1]=4 2849 B10R0.55 NC(=O)CCSCC(O)CO 62a_100011219619_100000744528 [0,1,0,0,0,0|2,0,1]=4 2850 B10R0.55 NC(=O)CCSC[C@@H](O)CO 62a_100000744528_100009815848 [0,1,0,0,0,0|2,0,1]=4 2851 B10R0.55 NC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000744528 [0,1,0,0,0,0|2,0,1]=4 2852 B10R0.55 OCC(O)COCCC(F)F 34a_100103093639_100011219619 [0,1,0,0,0,0|2,0,0]=3 2853 B10R0.55 OC[C@H](O)COCCC(F)F 34a_100103093639_100009815848 [0,1,0,0,0,0|2,0,0]=3 2854 B10R0.55 O[C@@H](CF)COCCC(F)F 34a_100103093639_100015614560 [0,1,0,0,0,0|3,0,0]=4 2855 B10R0.59 C=CC(C)COCC(O)CO 34a_100011215527_100011219619 [0,1,0,0,0,0|1,0,2]=4 2856 B10R0.59 C=CC(C)COCC(O)CO 7a_100011215527_100011219619 [0,1,0,0,0,0|1,0,2]=4 2857 B10R0.59 C=CC(C)COC[C@@H](O)CO 34a_100011215527_100009815848 [0,1,0,0,0,0|1,0,2]=4 2858 B10R0.59 C=CC(C)COC[C@@H](O)CO 7a_100011215527_100009815848 [0,1,0,0,0,0|1,0,2]=4 2859 B10R0.59 C=CC(O)CNCC(C)CC 2230a_100020588543_100000730141 [0,1,0,0,0,0|2,0,1]=4 2860 B10R0.59 C=CC(O)CNCC(O)CC 2230a_100011218483_100000730141 [0,1,0,0,0,0|2,0,1]=4 2861 B10R0.59 C=CC(O)CNC[C@H](O)CO 2230a_100020644852_100000730141 [0,1,0,0,0,0|1,0,2]=4 2862 B10R0.59 C=CC(O)COC[C@@H](C)CC 7a_100009816381_100000730141 [0,1,0,0,0,0|2,0,1]=4 2863 B10R0.59 C=CC(O)CSCC(C)CC 62a_100000730141_100000748023 [0,1,0,0,0,0|2,0,1]=4 2864 B10R0.59 C=CC(O)CSCC(C)CC 62a_100000748023_100000730141 [0,1,0,0,0,0|2,0,1]=4 2865 B10R0.59 C=CC(O)CSCC(O)CC 62a_100000730141_100011218378 [0,1,0,0,0,0|2,0,1]=4 2866 B10R0.59 C=CC(O)CSCC(O)CC 62a_100011218378_100000730141 [0,1,0,0,0,0|2,0,1]=4 2867 B10R0.59 C=CC(O)CSCC(O)CO 62a_100000730141_100011219619 [0,1,0,0,0,0|1,0,2]=4 2868 B10R0.59 C=CC(O)CSCC(O)CO 62a_100011219619_100000730141 [0,1,0,0,0,0|1,0,2]=4 2869 B10R0.59 C=CC(O)CSC[C@@H](C)CC 62a_100000730141_100009816398 [0,1,0,0,0,0|2,0,1]=4 2870 B10R0.59 C=CC(O)CSC[C@@H](C)CC 62a_100009816398_100000730141 [0,1,0,0,0,0|2,0,1]=4 2871 B10R0.59 C=CC(O)CSC[C@@H](O)CO 62a_100000730141_100009815848 [0,1,0,0,0,0|1,0,2]=4 2872 B10R0.59 C=CC(O)CSC[C@@H](O)CO 62a_100009815848_100000730141 [0,1,0,0,0,0|1,0,2]=4 2873 B10R0.59 C=C[C@H](N)COCC(O)CO 34a_100016989147_100011219619 [0,1,0,0,0,0|1,0,2]=4 2874 B10R0.59 C=C[C@H](N)COC[C@@H](O)CO 34a_100016989147_100009815848 [0,1,0,0,0,0|1,0,2]=4 2875 B10R0.59 CC(CN)COCC(O)CO 34a_100000744482_100011219619 [0,1,0,0,0,0|2,0,0]=3 2876 B10R0.59 CC(CN)COC[C@@H](C)CO 34a_100000744482_100000059175 [0,1,0,0,0,0|3,0,0]=4 2877 B10R0.59 CC(CN)COC[C@@H](O)CF 34a_100000744482_100015614560 [0,1,0,0,0,0|3,0,0]=4 2878 B10R0.59 CC(CN)COC[C@@H](O)CO 34a_100000744482_100009815848 [0,1,0,0,0,0|2,0,0]=3 2879 B10R0.59 CC(CO)CCNC(C)CO 2230a_106354213184_100012180447 [0,1,0,0,0,0|3,0,0]=4 2880 B10R0.59 CC(CO)CCNC(C)CO 34a_106354213184_100012180447 [0,1,0,0,0,0|3,0,0]=4 2881 B10R0.59 CC(CO)CNCC(O)CO 34a_100000744482_100011219619 [0,1,0,0,0,0|2,0,0]=3 2882 B10R0.59 CC(CO)CNC[C@@H](C)CO 34a_100000744482_100000059175 [0,1,0,0,0,0|3,0,0]=4 2883 B10R0.59 CC(CO)CNC[C@@H](O)CF 34a_100000744482_100015614560 [0,1,0,0,0,0|3,0,0]=4 2884 B10R0.59 CC(CO)CNC[C@@H](O)CO 34a_100000744482_100009815848 [0,1,0,0,0,0|2,0,0]=3 2885 B10R0.59 CCC(=O)COCC(O)CC 34a_100000725409_100011218378 [0,1,0,0,0,0|2,0,1]=4 2886 B10R0.59 CCC(=O)COCC(O)CO 34a_100000725409_100011219619 [0,1,0,0,0,0|1,0,1]=3 2887 B10R0.59 CCC(=O)COC[C@@H](C)CO 34a_100000725409_100000059175 [0,1,0,0,0,0|2,0,1]=4 2888 B10R0.59 CCC(=O)COC[C@@H](O)CF 34a_100000725409_100015614560 [0,1,0,0,0,0|2,0,1]=4 2889 B10R0.59 CCC(=O)COC[C@@H](O)CO 34a_100000725409_100009815848 [0,1,0,0,0,0|1,0,1]=3 2890 B10R0.59 CCC(=O)CSCC(O)CC 62a_100000747405_100011218378 [0,1,0,0,0,0|2,0,1]=4 2891 B10R0.59 CCC(=O)CSCC(O)CC 62a_100011218378_100000747405 [0,1,0,0,0,0|2,0,1]=4 2892 B10R0.59 CCC(=O)CSCC(O)CO 62a_100000747405_100011219619 [0,1,0,0,0,0|1,0,1]=3 2893 B10R0.59 CCC(=O)CSCC(O)CO 62a_100011219619_100000747405 [0,1,0,0,0,0|1,0,1]=3 2894 B10R0.59 CCC(=O)CSC[C@@H](C)CO 62a_100000059175_100000747405 [0,1,0,0,0,0|2,0,1]=4 2895 B10R0.59 CCC(=O)CSC[C@@H](C)CO 62a_100000747405_100000059175 [0,1,0,0,0,0|2,0,1]=4 2896 B10R0.59 CCC(=O)CSC[C@@H](O)CF 62a_100000747405_100015614560 [0,1,0,0,0,0|2,0,1]=4 2897 B10R0.59 CCC(=O)CSC[C@@H](O)CF 62a_100015614560_100000747405 [0,1,0,0,0,0|2,0,1]=4 2898 B10R0.59 CCC(=O)CSC[C@@H](O)CO 62a_100000747405_100009815848 [0,1,0,0,0,0|1,0,1]=3 2899 B10R0.59 CCC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747405 [0,1,0,0,0,0|1,0,1]=3 2900 B10R0.59 CCC(=O)NCCC(C)CO 240690a_106354213184_100000210414 [0,1,0,0,0,0|2,0,1]=4 2901 B10R0.59 CCC(=O)NCCC(C)CO 527a_106354213184_100000210414 [0,1,0,0,0,0|2,0,1]=4 2902 B10R0.59 CCC(C)CCNC(=O)CO 240690a_100020591266_100000210174 [0,1,0,0,0,0|1,0,2]=4 2903 B10R0.59 CCC(C)CCNC(=O)CO 527a_100020591266_100000210174 [0,1,0,0,0,0|1,0,2]=4 2904 B10R0.59 CCC(C)CCNC(C)CC 2230a_100020591266_100000758301 [0,1,0,0,0,0|3,0,0]=4 2905 B10R0.59 CCC(C)CCNC(C)CO 2230a_100020591266_100012180447 [0,1,0,0,0,0|2,0,0]=3 2906 B10R0.59 CCC(C)CCOC(C)CC 7a_100011215188_100000758301 [0,1,0,0,0,0|3,0,0]=4 2907 B10R0.59 CCC(C)CCOC(C)CO 7a_100011215188_100012180447 [0,1,0,0,0,0|2,0,0]=3 2908 B10R0.59 CCC(C)CNCC(C)CC 2230a_100020588543_100000748023 [0,1,0,0,0,0|3,0,0]=4 2909 B10R0.59 CCC(C)CNCC(C)CC 270004a_100020588543_100000243153 [0,1,0,0,0,0|3,0,0]=4 2910 B10R0.59 CCC(C)CNCC(C)CO 34a_100000744482_100000748023 [0,1,0,0,0,0|2,0,0]=3 2911 B10R0.59 CCC(C)CNCC(O)CC 2230a_100011218483_100000748023 [0,1,0,0,0,0|2,0,0]=3 2912 B10R0.59 CCC(C)CNCC(O)CC 2230a_100020588543_100011218378 [0,1,0,0,0,0|2,0,0]=3 2913 B10R0.59 CCC(C)CNCC(O)CC 270004a_100011218483_100000243153 [0,1,0,0,0,0|2,0,0]=3 2914 B10R0.59 CCC(C)CNCC(O)CO 2230a_100020588543_100011219619 [0,1,0,0,0,0|1,0,0]=2 2915 B10R0.59 CCC(C)CNC[C@@H](C)CC 2230a_100020588543_100009816398 [0,1,0,0,0,0|3,0,0]=4 2916 B10R0.59 CCC(C)CNC[C@@H](C)CO 2230a_100020588543_100000059175 [0,1,0,0,0,0|2,0,0]=3 2917 B10R0.59 CCC(C)CNC[C@@H](F)CO 270004a_100015665980_100000243153 [0,1,0,0,0,0|2,0,0]=3 2918 B10R0.59 CCC(C)CNC[C@@H](F)CO 34a_100015665980_100000748023 [0,1,0,0,0,0|2,0,0]=3 2919 B10R0.59 CCC(C)CNC[C@@H](O)CF 2230a_100020588543_100015614560 [0,1,0,0,0,0|2,0,0]=3 2920 B10R0.59 CCC(C)CNC[C@@H](O)CO 2230a_100020588543_100009815848 [0,1,0,0,0,0|1,0,0]=2 2921 B10R0.59 CCC(C)CNC[C@H](O)CO 2230a_100020644852_100000748023 [0,1,0,0,0,0|1,0,0]=2 2922 B10R0.59 CCC(C)COCC(C)CN 34a_100000744482_100000748023 [0,1,0,0,0,0|3,0,0]=4 2923 B10R0.59 CCC(C)COCC(Cl)CCl 34a_100000033668_100000748023 [0,1,0,0,0,0|3,0,0]=4 2924 B10R0.59 CCC(C)COC[C@@H](C)CC 7a_100009816381_100000748023 [0,1,0,0,0,0|3,0,0]=4 2925 B10R0.59 CCC(C)COC[C@H](F)CN 34a_100015665980_100000748023 [0,1,0,0,0,0|3,0,0]=4 2926 B10R0.59 CCC(C)CSCC(C)CC 62a_100000748023_100000748023 [0,1,0,0,0,0|3,0,0]=4 2927 B10R0.59 CCC(C)CSCC(O)CC 62a_100000748023_100011218378 [0,1,0,0,0,0|2,0,0]=3 2928 B10R0.59 CCC(C)CSCC(O)CC 62a_100011218378_100000748023 [0,1,0,0,0,0|2,0,0]=3 2929 B10R0.59 CCC(C)CSCC(O)CO 62a_100000748023_100011219619 [0,1,0,0,0,0|1,0,0]=2 2930 B10R0.59 CCC(C)CSCC(O)CO 62a_100011219619_100000748023 [0,1,0,0,0,0|1,0,0]=2 2931 B10R0.59 CCC(C)CSC[C@@H](C)CC 62a_100000748023_100009816398 [0,1,0,0,0,0|3,0,0]=4 2932 B10R0.59 CCC(C)CSC[C@@H](C)CC 62a_100009816398_100000748023 [0,1,0,0,0,0|3,0,0]=4 2933 B10R0.59 CCC(C)CSC[C@@H](C)CO 62a_100000059175_100000748023 [0,1,0,0,0,0|2,0,0]=3 2934 B10R0.59 CCC(C)CSC[C@@H](C)CO 62a_100000748023_100000059175 [0,1,0,0,0,0|2,0,0]=3 2935 B10R0.59 CCC(C)CSC[C@@H](O)CF 62a_100000748023_100015614560 [0,1,0,0,0,0|2,0,0]=3 2936 B10R0.59 CCC(C)CSC[C@@H](O)CF 62a_100015614560_100000748023 [0,1,0,0,0,0|2,0,0]=3 2937 B10R0.59 CCC(C)CSC[C@@H](O)CO 62a_100000748023_100009815848 [0,1,0,0,0,0|1,0,0]=2 2938 B10R0.59 CCC(C)CSC[C@@H](O)CO 62a_100009815848_100000748023 [0,1,0,0,0,0|1,0,0]=2 2939 B10R0.59 CCC(C)NCCC(C)CO 2230a_106354213184_100000758301 [0,1,0,0,0,0|2,0,0]=3 2940 B10R0.59 CCC(C)NCCC(C)CO 34a_106354213184_100011215416 [0,1,0,0,0,0|2,0,0]=3 2941 B10R0.59 CCC(C)NN=CC(O)CO 4a_100000718999_100000033539 [0,1,0,0,0,0|2,0,1]=4 2942 B10R0.59 CCC(O)CNCC(C)CO 34a_100000744482_100011218378 [0,1,0,0,0,0|2,0,0]=3 2943 B10R0.59 CCC(O)CNCC(O)CC 2230a_100011218483_100011218378 [0,1,0,0,0,0|2,0,0]=3 2944 B10R0.59 CCC(O)CNCC(O)CO 2230a_100011218483_100011219619 [0,1,0,0,0,0|1,0,0]=2 2945 B10R0.59 CCC(O)CNC[C@@H](C)CC 2230a_100011218483_100009816398 [0,1,0,0,0,0|2,0,0]=3 2946 B10R0.59 CCC(O)CNC[C@@H](C)CO 2230a_100011218483_100000059175 [0,1,0,0,0,0|2,0,0]=3 2947 B10R0.59 CCC(O)CNC[C@@H](C)OC 2230a_100020591295_100011218378 [0,1,0,0,0,0|3,0,0]=4 2948 B10R0.59 CCC(O)CNC[C@@H](F)CO 34a_100015665980_100011218378 [0,1,0,0,0,0|2,0,0]=3 2949 B10R0.59 CCC(O)CNC[C@@H](O)CF 2230a_100011218483_100015614560 [0,1,0,0,0,0|2,0,0]=3 2950 B10R0.59 CCC(O)CNC[C@@H](O)CO 2230a_100011218483_100009815848 [0,1,0,0,0,0|1,0,0]=2 2951 B10R0.59 CCC(O)CNC[C@H](O)CO 2230a_100020644852_100011218378 [0,1,0,0,0,0|1,0,0]=2 2952 B10R0.59 CCC(O)COCC(C)CN 34a_100000744482_100011218378 [0,1,0,0,0,0|3,0,0]=4 2953 B10R0.59 CCC(O)COCC(C)OC 34a_100000690652_100011218378 [0,1,0,0,0,0|3,0,0]=4 2954 B10R0.59 CCC(O)COCC(Cl)CCl 34a_100000033668_100011218378 [0,1,0,0,0,0|3,0,0]=4 2955 B10R0.59 CCC(O)COC[C@@H](C)CC 7a_100009816381_100011218378 [0,1,0,0,0,0|2,0,0]=3 2956 B10R0.59 CCC(O)COC[C@H](F)CN 34a_100015665980_100011218378 [0,1,0,0,0,0|3,0,0]=4 2957 B10R0.59 CCC(O)CSCC(O)CC 62a_100011218378_100011218378 [0,1,0,0,0,0|2,0,0]=3 2958 B10R0.59 CCC(O)CSCC(O)CO 62a_100011218378_100011219619 [0,1,0,0,0,0|1,0,0]=2 2959 B10R0.59 CCC(O)CSCC(O)CO 62a_100011219619_100011218378 [0,1,0,0,0,0|1,0,0]=2 2960 B10R0.59 CCC(O)CSC[C@@H](C)CC 62a_100009816398_100011218378 [0,1,0,0,0,0|2,0,0]=3 2961 B10R0.59 CCC(O)CSC[C@@H](C)CC 62a_100011218378_100009816398 [0,1,0,0,0,0|2,0,0]=3 2962 B10R0.59 CCC(O)CSC[C@@H](C)CO 62a_100000059175_100011218378 [0,1,0,0,0,0|2,0,0]=3 2963 B10R0.59 CCC(O)CSC[C@@H](C)CO 62a_100011218378_100000059175 [0,1,0,0,0,0|2,0,0]=3 2964 B10R0.59 CCC(O)CSC[C@@H](O)CF 62a_100011218378_100015614560 [0,1,0,0,0,0|2,0,0]=3 2965 B10R0.59 CCC(O)CSC[C@@H](O)CF 62a_100015614560_100011218378 [0,1,0,0,0,0|2,0,0]=3 2966 B10R0.59 CCC(O)CSC[C@@H](O)CO 62a_100009815848_100011218378 [0,1,0,0,0,0|1,0,0]=2 2967 B10R0.59 CCC(O)CSC[C@@H](O)CO 62a_100011218378_100009815848 [0,1,0,0,0,0|1,0,0]=2 2968 B10R0.59 CCN(C)CCCC(=O)CO 1458a_100000210174_100015186262 [0,1,0,0,0,0|1,0,2]=4 2969 B10R0.59 CC[C@H](C)CNCC(C)CO 34a_100000744482_100009816398 [0,1,0,0,0,0|2,0,0]=3 2970 B10R0.59 CC[C@H](C)CNC[C@@H](F)CO 34a_100015665980_100009816398 [0,1,0,0,0,0|2,0,0]=3 2971 B10R0.59 CC[C@H](C)CNC[C@H](O)CO 2230a_100020644852_100009816398 [0,1,0,0,0,0|1,0,0]=2 2972 B10R0.59 CC[C@H](C)COCC(C)CN 34a_100000744482_100009816398 [0,1,0,0,0,0|3,0,0]=4 2973 B10R0.59 CC[C@H](C)COCC(Cl)CCl 34a_100000033668_100009816398 [0,1,0,0,0,0|3,0,0]=4 2974 B10R0.59 CC[C@H](C)COCC(O)CO 7a_100009816381_100011219619 [0,1,0,0,0,0|1,0,0]=2 2975 B10R0.59 CC[C@H](C)COC[C@@H](C)CC 7a_100009816381_100009816398 [0,1,0,0,0,0|3,0,0]=4 2976 B10R0.59 CC[C@H](C)COC[C@@H](C)CO 7a_100009816381_100000059175 [0,1,0,0,0,0|2,0,0]=3 2977 B10R0.59 CC[C@H](C)COC[C@@H](O)CF 7a_100009816381_100015614560 [0,1,0,0,0,0|2,0,0]=3 2978 B10R0.59 CC[C@H](C)COC[C@@H](O)CO 7a_100009816381_100009815848 [0,1,0,0,0,0|1,0,0]=2 2979 B10R0.59 CC[C@H](C)COC[C@H](F)CN 34a_100015665980_100009816398 [0,1,0,0,0,0|3,0,0]=4 2980 B10R0.59 CC[C@H](C)CSCC(O)CO 62a_100009816398_100011219619 [0,1,0,0,0,0|1,0,0]=2 2981 B10R0.59 CC[C@H](C)CSCC(O)CO 62a_100011219619_100009816398 [0,1,0,0,0,0|1,0,0]=2 2982 B10R0.59 CC[C@H](C)CSC[C@@H](C)CC 62a_100009816398_100009816398 [0,1,0,0,0,0|3,0,0]=4 2983 B10R0.59 CC[C@H](C)CSC[C@@H](C)CO 62a_100000059175_100009816398 [0,1,0,0,0,0|2,0,0]=3 2984 B10R0.59 CC[C@H](C)CSC[C@@H](C)CO 62a_100009816398_100000059175 [0,1,0,0,0,0|2,0,0]=3 2985 B10R0.59 CC[C@H](C)CSC[C@@H](O)CF 62a_100009816398_100015614560 [0,1,0,0,0,0|2,0,0]=3 2986 B10R0.59 CC[C@H](C)CSC[C@@H](O)CF 62a_100015614560_100009816398 [0,1,0,0,0,0|2,0,0]=3 2987 B10R0.59 CC[C@H](C)CSC[C@@H](O)CO 62a_100009815848_100009816398 [0,1,0,0,0,0|1,0,0]=2 2988 B10R0.59 CC[C@H](C)CSC[C@@H](O)CO 62a_100009816398_100009815848 [0,1,0,0,0,0|1,0,0]=2 2989 B10R0.59 CNC(=O)CNCC(O)CO 2230a_100000693194_100011219619 [0,1,0,0,0,0|2,0,1]=4 2990 B10R0.59 CNC(=O)CNC[C@@H](O)CO 2230a_100000693194_100009815848 [0,1,0,0,0,0|2,0,1]=4 2991 B10R0.59 CNC(=O)CNC[C@H](O)CO 2230a_100020644852_100000183359 [0,1,0,0,0,0|2,0,1]=4 2992 B10R0.59 CNC(=O)COCC(O)CO 34a_100000750040_100011219619 [0,1,0,0,0,0|2,0,1]=4 2993 B10R0.59 CNC(=O)COC[C@@H](O)CO 34a_100000750040_100009815848 [0,1,0,0,0,0|2,0,1]=4 2994 B10R0.59 CNC(=O)CSCC(O)CO 62a_100000183359_100011219619 [0,1,0,0,0,0|2,0,1]=4 2995 B10R0.59 CNC(=O)CSCC(O)CO 62a_100011219619_100000183359 [0,1,0,0,0,0|2,0,1]=4 2996 B10R0.59 CNC(=O)CSC[C@@H](O)CO 62a_100000183359_100009815848 [0,1,0,0,0,0|2,0,1]=4 2997 B10R0.59 CNC(=O)CSC[C@@H](O)CO 62a_100009815848_100000183359 [0,1,0,0,0,0|2,0,1]=4 2998 B10R0.59 COC(=O)CNC[C@H](O)CO 2230a_100020644852_100000747449 [0,1,0,0,0,0|2,0,1]=4 2999 B10R0.59 COC(=O)CSCC(O)CO 62a_100000747449_100011219619 [0,1,0,0,0,0|2,0,1]=4 3000 B10R0.59 COC(=O)CSCC(O)CO 62a_100011219619_100000747449 [0,1,0,0,0,0|2,0,1]=4 3001 B10R0.59 COC(=O)CSC[C@@H](O)CO 62a_100000747449_100009815848 [0,1,0,0,0,0|2,0,1]=4 3002 B10R0.59 COC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747449 [0,1,0,0,0,0|2,0,1]=4 3003 B10R0.59 COC(C)CCOC(C)CO 7a_100000764861_100012180447 [0,1,0,0,0,0|3,0,0]=4 3004 B10R0.59 COC(C)COCC(O)CO 34a_100000690652_100011219619 [0,1,0,0,0,0|2,0,0]=3 3005 B10R0.59 COC(C)COC[C@@H](C)CO 34a_100000690652_100000059175 [0,1,0,0,0,0|3,0,0]=4 3006 B10R0.59 COC(C)COC[C@@H](O)CF 34a_100000690652_100015614560 [0,1,0,0,0,0|3,0,0]=4 3007 B10R0.59 COC(C)COC[C@@H](O)CO 34a_100000690652_100009815848 [0,1,0,0,0,0|2,0,0]=3 3008 B10R0.59 CO[C@H](C)CNCC(O)CO 2230a_100020591295_100011219619 [0,1,0,0,0,0|2,0,0]=3 3009 B10R0.59 CO[C@H](C)CNC[C@@H](C)CO 2230a_100020591295_100000059175 [0,1,0,0,0,0|3,0,0]=4 3010 B10R0.59 CO[C@H](C)CNC[C@@H](O)CF 2230a_100020591295_100015614560 [0,1,0,0,0,0|3,0,0]=4 3011 B10R0.59 CO[C@H](C)CNC[C@@H](O)CO 2230a_100020591295_100009815848 [0,1,0,0,0,0|2,0,0]=3 3012 B10R0.59 C[C@@H](CO)CNC[C@@H](F)CO 34a_100015665980_100000059175 [0,1,0,0,0,0|3,0,0]=4 3013 B10R0.59 C[C@@H](CO)CNC[C@H](O)CO 2230a_100020644852_100000059175 [0,1,0,0,0,0|2,0,0]=3 3014 B10R0.59 C[C@@H](CO)COCC(Cl)CCl 34a_100000033668_100000059175 [0,1,0,0,0,0|3,0,0]=4 3015 B10R0.59 C[C@@H](CO)COC[C@H](F)CN 34a_100015665980_100000059175 [0,1,0,0,0,0|3,0,0]=4 3016 B10R0.59 C[C@@H](CO)CSCC(O)CO 62a_100000059175_100011219619 [0,1,0,0,0,0|2,0,0]=3 3017 B10R0.59 C[C@@H](CO)CSCC(O)CO 62a_100011219619_100000059175 [0,1,0,0,0,0|2,0,0]=3 3018 B10R0.59 C[C@@H](CO)CSC[C@@H](C)CO 62a_100000059175_100000059175 [0,1,0,0,0,0|3,0,0]=4 3019 B10R0.59 C[C@@H](CO)CSC[C@@H](O)CF 62a_100000059175_100015614560 [0,1,0,0,0,0|3,0,0]=4 3020 B10R0.59 C[C@@H](CO)CSC[C@@H](O)CF 62a_100015614560_100000059175 [0,1,0,0,0,0|3,0,0]=4 3021 B10R0.59 C[C@@H](CO)CSC[C@@H](O)CO 62a_100000059175_100009815848 [0,1,0,0,0,0|2,0,0]=3 3022 B10R0.59 C[C@@H](CO)CSC[C@@H](O)CO 62a_100009815848_100000059175 [0,1,0,0,0,0|2,0,0]=3 3023 B10R0.59 NC[C@@H](F)COCC(O)CO 34a_100015665980_100011219619 [0,1,0,0,0,0|2,0,0]=3 3024 B10R0.59 NC[C@@H](F)COC[C@@H](O)CF 34a_100015665980_100015614560 [0,1,0,0,0,0|3,0,0]=4 3025 B10R0.59 NC[C@@H](F)COC[C@@H](O)CO 34a_100015665980_100009815848 [0,1,0,0,0,0|2,0,0]=3 3026 B10R0.59 OCC(O)CNC[C@@H](F)CO 34a_100015665980_100011219619 [0,1,0,0,0,0|2,0,0]=3 3027 B10R0.59 OCC(O)COCC(Cl)CCl 34a_100000033668_100011219619 [0,1,0,0,0,0|2,0,0]=3 3028 B10R0.59 OCC(O)CSCC(O)CO 62a_100011219619_100011219619 [0,1,0,0,0,0|2,0,0]=3 3029 B10R0.59 OCC(O)CSC[C@@H](O)CF 62a_100011219619_100015614560 [0,1,0,0,0,0|2,0,0]=3 3030 B10R0.59 OCC(O)CSC[C@@H](O)CF 62a_100015614560_100011219619 [0,1,0,0,0,0|2,0,0]=3 3031 B10R0.59 OCC(O)CSC[C@@H](O)CO 62a_100009815848_100011219619 [0,1,0,0,0,0|2,0,0]=3 3032 B10R0.59 OCC(O)CSC[C@@H](O)CO 62a_100011219619_100009815848 [0,1,0,0,0,0|2,0,0]=3 3033 B10R0.59 OC[C@@H](O)CNC[C@@H](O)CF 2230a_100020644852_100015614560 [0,1,0,0,0,0|2,0,0]=3 3034 B10R0.59 OC[C@H](F)CNC[C@@H](O)CF 34a_100015665980_100015614560 [0,1,0,0,0,0|3,0,0]=4 3035 B10R0.59 OC[C@H](O)CNC[C@@H](F)CO 34a_100015665980_100009815848 [0,1,0,0,0,0|2,0,0]=3 3036 B10R0.59 OC[C@H](O)COCC(Cl)CCl 34a_100000033668_100009815848 [0,1,0,0,0,0|2,0,0]=3 3037 B10R0.59 OC[C@H](O)CSC[C@@H](O)CF 62a_100009815848_100015614560 [0,1,0,0,0,0|2,0,0]=3 3038 B10R0.59 OC[C@H](O)CSC[C@@H](O)CF 62a_100015614560_100009815848 [0,1,0,0,0,0|2,0,0]=3 3039 B10R0.59 OC[C@H](O)CSC[C@@H](O)CO 62a_100009815848_100009815848 [0,1,0,0,0,0|2,0,0]=3 3040 B10R0.59 O[C@@H](CF)COCC(Cl)CCl 34a_100000033668_100015614560 [0,1,0,0,0,0|3,0,0]=4 3041 B10R0.59 O[C@@H](CF)CSC[C@@H](O)CF 62a_100015614560_100015614560 [0,1,0,0,0,0|3,0,0]=4 3042 B10R0.62 CC(C)(CO)CNCCCF 2230a_100020635058_100011934791 [0,1,0,0,0,0|3,0,0]=4 3043 B10R0.62 CC(C)(CO)CNCCCF 34a_100015189416_100009813988 [0,1,0,0,0,0|3,0,0]=4 3044 B10R0.62 CC(C)(CO)CNCCCO 2230a_100020635058_100000230001 [0,1,0,0,0,0|3,0,0]=4 3045 B10R0.62 CC(C)(CO)COCCCBr 34a_100011217188_100009813988 [0,1,0,0,0,0|3,0,0]=4 3046 B10R0.62 CC(C)(CO)COCCCCl 34a_100000230001_100009813988 [0,1,0,0,0,0|3,0,0]=4 3047 B10R0.62 CC(C)(CO)COCCCF 34a_100000759539_100009813988 [0,1,0,0,0,0|3,0,0]=4 3048 B10R0.62 CC(C)(CO)COCCCN 34a_100000182051_100009813988 [0,1,0,0,0,0|3,0,0]=4 3049 B10R0.62 CC(C)(CO)CSCCCF 62a_100009813988_100011934791 [0,1,0,0,0,0|3,0,0]=4 3050 B10R0.62 CC(C)(CO)CSCCCF 62a_100011934791_100009813988 [0,1,0,0,0,0|3,0,0]=4 3051 B10R0.62 CC(C)(CO)CSCCCO 62a_100009813988_100011215043 [0,1,0,0,0,0|3,0,0]=4 3052 B10R0.62 CC(C)(CO)CSCCCO 62a_100011215043_100009813988 [0,1,0,0,0,0|3,0,0]=4 3053 B10R0.62 CC(C)(CO)NCCCCF 2230a_100000210608_100000729493 [0,1,0,0,0,0|3,0,0]=4 3054 B10R0.62 CC(C)(CO)NCCCCO 2230a_100000210608_100000210776 [0,1,0,0,0,0|3,0,0]=4 3055 B10R0.62 CCCCCCC(C)(C)OC 7a_200011995690_200000210301 [0,1,0,0,0,0|3,0,0]=4 3056 B10R0.62 CCCCCCC(C)(C)O[13CH3] 7a_200011995690_200025704644 [0,1,0,0,0,0|3,0,0]=4 3057 B10R0.62 CCCCCNC(C)(C)CC 2230a_100000211385_100000210326 [0,1,0,0,0,0|3,0,0]=4 3058 B10R0.62 CCCCCNC(C)(C)CO 2230a_100000210608_100000210326 [0,1,0,0,0,0|2,0,0]=3 3059 B10R0.62 CCCCCOC(C)(C)CC 7a_100000210230_100000210326 [0,1,0,0,0,0|3,0,0]=4 3060 B10R0.62 CCCCCOC(C)(C)CC 7a_100000210253_100000210677 [0,1,0,0,0,0|3,0,0]=4 3061 B10R0.62 CCCCCOC(C)(C)CCl 7a_100000764493_100000210326 [0,1,0,0,0,0|3,0,0]=4 3062 B10R0.62 CCCCCSC(C)(C)CC 62a_100000032637_100000210326 [0,1,0,0,0,0|3,0,0]=4 3063 B10R0.62 CCCCCSC(C)(C)CC 62a_100000210326_100000032637 [0,1,0,0,0,0|3,0,0]=4 3064 B10R0.62 CCCCCSC(F)(F)CO 62a_100000210326_100011217949 [0,1,0,0,0,0|2,0,0]=3 3065 B10R0.62 CCCCCSC(F)(F)CO 62a_100011217949_100000210326 [0,1,0,0,0,0|2,0,0]=3 3066 B10R0.62 CCCCNCC(C)(C)CO 2230a_100020635058_100000210211 [0,1,0,0,0,0|2,0,0]=3 3067 B10R0.62 CCCCNCC(C)(C)CO 7a_106832991798_100009813988 [0,1,0,0,0,0|2,0,0]=3 3068 B10R0.62 CCCCOCC(C)(C)CC 7a_100000765029_100000210211 [0,1,0,0,0,0|3,0,0]=4 3069 B10R0.62 CCCCOCC(C)(C)CCl 7a_100011217199_100000210211 [0,1,0,0,0,0|3,0,0]=4 3070 B10R0.62 CCCCOCC(C)(C)CO 34a_100000210227_100009813988 [0,1,0,0,0,0|2,0,0]=3 3071 B10R0.62 CCCCOCC(C)(C)CO 7a_100000210227_100009813988 [0,1,0,0,0,0|2,0,0]=3 3072 B10R0.62 CCCCOCC(F)(F)CN 34a_100000703232_100000210210 [0,1,0,0,0,0|3,0,0]=4 3073 B10R0.62 CCCCSCC(C)(C)CO 62a_100000210211_100009813988 [0,1,0,0,0,0|2,0,0]=3 3074 B10R0.62 CCCCSCC(C)(C)CO 62a_100009813988_100000210210 [0,1,0,0,0,0|2,0,0]=3 3075 B10R0.62 CCNCCCC(C)(C)CO 2230a_100000039164_100000210202 [0,1,0,0,0,0|2,0,0]=3 3076 B10R0.62 CCOCCNC(C)(C)CO 2230a_100000210608_100011215890 [0,1,0,0,0,0|3,0,0]=4 3077 B10R0.62 CCOCCSC(F)(F)CO 62a_100000210147_100011217949 [0,1,0,0,0,0|3,0,0]=4 3078 B10R0.62 CCOCCSC(F)(F)CO 62a_100011217949_100011215890 [0,1,0,0,0,0|3,0,0]=4 3079 B10R0.62 CCOCSCC(C)(C)CO 62a_100000739092_100009813988 [0,1,0,0,0,0|3,0,0]=4 3080 B10R0.62 CCOCSCC(C)(C)CO 62a_100009813988_100000739092 [0,1,0,0,0,0|3,0,0]=4 3081 B10R0.62 CCSCCNC(C)(C)CO 2230a_100000210608_100000757381 [0,1,0,0,0,0|3,0,0]=4 3082 B10R0.62 CCSCCSC(F)(F)CO 62a_100000757381_100011217949 [0,1,0,0,0,0|3,0,0]=4 3083 B10R0.62 CCSCCSC(F)(F)CO 62a_100011217949_100000757381 [0,1,0,0,0,0|3,0,0]=4 3084 B10R0.62 COCCCNC(C)(C)CO 2230a_100000210608_100000740836 [0,1,0,0,0,0|3,0,0]=4 3085 B10R0.62 COCCCSC(F)(F)CO 62a_100000709357_100011217949 [0,1,0,0,0,0|3,0,0]=4 3086 B10R0.62 COCCCSC(F)(F)CO 62a_100011217949_100000709357 [0,1,0,0,0,0|3,0,0]=4 3087 B10R0.62 COCCNCC(C)(C)CO 2230a_100020635058_100011201679 [0,1,0,0,0,0|3,0,0]=4 3088 B10R0.62 COCCOCC(C)(C)CO 34a_100000210237_100009813988 [0,1,0,0,0,0|3,0,0]=4 3089 B10R0.62 COCCSCC(C)(C)CO 62a_100000233755_100009813988 [0,1,0,0,0,0|3,0,0]=4 3090 B10R0.62 COCCSCC(C)(C)CO 62a_100009813988_100000233755 [0,1,0,0,0,0|3,0,0]=4 3091 B10R0.62 CSCCNCC(C)(C)CO 2230a_100020635058_100000751147 [0,1,0,0,0,0|3,0,0]=4 3092 B10R0.62 CSCCOCC(C)(C)CO 34a_100000230434_100009813988 [0,1,0,0,0,0|3,0,0]=4 3093 B10R0.62 CSCCOCC(C)(C)CO 7a_100000230434_100009813988 [0,1,0,0,0,0|3,0,0]=4 3094 B10R0.62 CSCCSCC(C)(C)CO 62a_100000212216_100009813988 [0,1,0,0,0,0|3,0,0]=4 3095 B10R0.62 CSCCSCC(C)(C)CO 62a_100009813988_100000751147 [0,1,0,0,0,0|3,0,0]=4 3096 B10R0.62 OCC(F)(F)SCCCCF 62a_100000729493_100011217949 [0,1,0,0,0,0|3,0,0]=4 3097 B10R0.62 OCC(F)(F)SCCCCF 62a_100011217949_100000729493 [0,1,0,0,0,0|3,0,0]=4 3098 B10R0.62 OCCCCSC(F)(F)CO 62a_100000210776_100011217949 [0,1,0,0,0,0|3,0,0]=4 3099 B10R0.62 OCCCCSC(F)(F)CO 62a_100011217949_100000210776 [0,1,0,0,0,0|3,0,0]=4 3100 B10R0.74 C#CC(C)NCCCCCC 2230a_100000707721_100000210314 [0,1,0,0,0,0|2,0,1]=4 3101 B10R0.74 C#CC(C)NCCCCCC 34a_100000707721_100000210314 [0,1,0,0,0,0|2,0,1]=4 3102 B10R0.74 C#CC(C)OCCCCCC 34a_100000210259_200000035995 [0,1,0,0,0,0|2,0,1]=4 3103 B10R0.74 C#CC(C)SCCCCCC 62a_200000035995_100000210757 [0,1,0,0,0,0|2,0,1]=4 3104 B10R0.74 C#CC(O)CCCCCNC 2230a_106832991635_200010408556 [0,1,0,0,0,0|1,0,1]=3 3105 B10R0.74 C#CC(O)CCCCCNC 34a_100102657272_200010408556 [0,1,0,0,0,0|1,0,1]=3 3106 B10R0.74 C#CC(O)CCCCCNC 7a_106832991635_200010408556 [0,1,0,0,0,0|1,0,1]=3 3107 B10R0.74 C#CC(O)CCCCCOC 34a_100138415774_200010408556 [0,1,0,0,0,0|1,0,1]=3 3108 B10R0.74 C#CC(O)CCCCCSC 62a_200000210301_200010408556 [0,1,0,0,0,0|1,0,1]=3 3109 B10R0.74 C#CC(O)CCCCCSC 62a_200010408556_200000210301 [0,1,0,0,0,0|1,0,1]=3 3110 B10R0.74 C#CC(O)CCCCCS[13CH3] 62a_200010408556_200025704644 [0,1,0,0,0,0|1,0,1]=3 3111 B10R0.74 C#CC(O)CCCCCS[13CH3] 62a_200025704644_200010408556 [0,1,0,0,0,0|1,0,1]=3 3112 B10R0.74 C#CCCCCCC(=O)CO 1458a_100000210174_100012094781 [0,1,0,0,0,0|0,0,3]=4 3113 B10R0.74 C#CCCCCNC(C)CO 2230a_100000706060_100012180447 [0,1,0,0,0,0|1,0,2]=4 3114 B10R0.74 C#CCCCCNC(C)CO 34a_100000706060_100012180447 [0,1,0,0,0,0|1,0,2]=4 3115 B10R0.74 C#CCCCCN[C@H](C)CO 2230a_100000737577_100010269958 [0,1,0,0,0,0|1,0,2]=4 3116 B10R0.74 C#CCCCCOC(C)CO 34a_100000766709_100012180447 [0,1,0,0,0,0|1,0,2]=4 3117 B10R0.74 C#CCCCCOC(C)CO 7a_100000766709_100012180447 [0,1,0,0,0,0|1,0,2]=4 3118 B10R0.74 C#CCCCCSC(C)CO 62a_100012180447_100010269958 [0,1,0,0,0,0|1,0,2]=4 3119 B10R0.74 C#CCCCCS[C@H](C)CO 62a_100010269958_100016084084 [0,1,0,0,0,0|1,0,2]=4 3120 B10R0.74 C#CCCCCS[C@H](C)CO 62a_100016084084_100010269958 [0,1,0,0,0,0|1,0,2]=4 3121 B10R0.74 C#CCCCNCC(C)CO 34a_100000744482_100000695029 [0,1,0,0,0,0|1,0,2]=4 3122 B10R0.74 C#CCCCNCC(O)CC 2230a_100011218483_100000731252 [0,1,0,0,0,0|1,0,2]=4 3123 B10R0.74 C#CCCCNCC(O)CC 34a_100000718082_100011218378 [0,1,0,0,0,0|1,0,2]=4 3124 B10R0.74 C#CCCCNCC(O)CO 34a_100000718082_100011219619 [0,1,0,0,0,0|0,0,2]=3 3125 B10R0.74 C#CCCCNC[C@@H](C)CO 34a_100000718082_100000059175 [0,1,0,0,0,0|1,0,2]=4 3126 B10R0.74 C#CCCCNC[C@@H](F)CO 34a_100015665980_100000695029 [0,1,0,0,0,0|1,0,2]=4 3127 B10R0.74 C#CCCCNC[C@@H](O)CF 34a_100000718082_100015614560 [0,1,0,0,0,0|1,0,2]=4 3128 B10R0.74 C#CCCCNC[C@@H](O)CO 34a_100000718082_100009815848 [0,1,0,0,0,0|0,0,2]=3 3129 B10R0.74 C#CCCCNC[C@H](O)CO 2230a_100020644852_100000731252 [0,1,0,0,0,0|0,0,2]=3 3130 B10R0.74 C#CCCCOCC(O)CC 34a_100000215630_100011218378 [0,1,0,0,0,0|1,0,2]=4 3131 B10R0.74 C#CCCCOCC(O)CC 7a_100000215630_100011218378 [0,1,0,0,0,0|1,0,2]=4 3132 B10R0.74 C#CCCCOCC(O)CO 34a_100000215630_100011219619 [0,1,0,0,0,0|0,0,2]=3 3133 B10R0.74 C#CCCCOCC(O)CO 7a_100000215630_100011219619 [0,1,0,0,0,0|0,0,2]=3 3134 B10R0.74 C#CCCCOC[C@@H](C)CO 34a_100000215630_100000059175 [0,1,0,0,0,0|1,0,2]=4 3135 B10R0.74 C#CCCCOC[C@@H](C)CO 7a_100000215630_100000059175 [0,1,0,0,0,0|1,0,2]=4 3136 B10R0.74 C#CCCCOC[C@@H](O)CF 34a_100000215630_100015614560 [0,1,0,0,0,0|1,0,2]=4 3137 B10R0.74 C#CCCCOC[C@@H](O)CF 7a_100000215630_100015614560 [0,1,0,0,0,0|1,0,2]=4 3138 B10R0.74 C#CCCCOC[C@@H](O)CO 34a_100000215630_100009815848 [0,1,0,0,0,0|0,0,2]=3 3139 B10R0.74 C#CCCCOC[C@@H](O)CO 7a_100000215630_100009815848 [0,1,0,0,0,0|0,0,2]=3 3140 B10R0.74 C#CCCCSCC(O)CC 62a_100011215417_100011218378 [0,1,0,0,0,0|1,0,2]=4 3141 B10R0.74 C#CCCCSCC(O)CC 62a_100011218378_100011215417 [0,1,0,0,0,0|1,0,2]=4 3142 B10R0.74 C#CCCCSCC(O)CO 62a_100011215417_100011219619 [0,1,0,0,0,0|0,0,2]=3 3143 B10R0.74 C#CCCCSCC(O)CO 62a_100011219619_100011215417 [0,1,0,0,0,0|0,0,2]=3 3144 B10R0.74 C#CCCCSC[C@@H](C)CO 62a_100000059175_100011215417 [0,1,0,0,0,0|1,0,2]=4 3145 B10R0.74 C#CCCCSC[C@@H](C)CO 62a_100011215417_100000059175 [0,1,0,0,0,0|1,0,2]=4 3146 B10R0.74 C#CCCCSC[C@@H](O)CF 62a_100011215417_100015614560 [0,1,0,0,0,0|1,0,2]=4 3147 B10R0.74 C#CCCCSC[C@@H](O)CF 62a_100015614560_100011215417 [0,1,0,0,0,0|1,0,2]=4 3148 B10R0.74 C#CCCCSC[C@@H](O)CO 62a_100009815848_100011215417 [0,1,0,0,0,0|0,0,2]=3 3149 B10R0.74 C#CCCCSC[C@@H](O)CO 62a_100011215417_100009815848 [0,1,0,0,0,0|0,0,2]=3 3150 B10R0.74 C#CCCNCCC(C)CO 2230a_106354213184_100000688953 [0,1,0,0,0,0|1,0,2]=4 3151 B10R0.74 C#CCCNCCC(C)CO 34a_106354213184_100000688953 [0,1,0,0,0,0|1,0,2]=4 3152 B10R0.74 C#C[C@@H](C)OCCCCCC 34a_100009815206_100000210314 [0,1,0,0,0,0|2,0,1]=4 3153 B10R0.74 C#C[C@@H](C)OCCCCCC 7a_100009815206_100000210314 [0,1,0,0,0,0|2,0,1]=4 3154 B10R0.74 C/C=C/CCOCC(O)CC 34a_100016278192_100011218378 [0,1,0,0,0,0|1,0,2]=4 3155 B10R0.74 C/C=C/CCOCC(O)CO 34a_100016278192_100011219619 [0,1,0,0,0,0|0,0,2]=3 3156 B10R0.74 C/C=C/CCOC[C@@H](C)CO 34a_100016278192_100000059175 [0,1,0,0,0,0|1,0,2]=4 3157 B10R0.74 C/C=C/CCOC[C@@H](O)CF 34a_100016278192_100015614560 [0,1,0,0,0,0|1,0,2]=4 3158 B10R0.74 C/C=C/CCOC[C@@H](O)CO 34a_100016278192_100009815848 [0,1,0,0,0,0|0,0,2]=3 3159 B10R0.74 C/C=C/CNCCC(C)CO 34a_106354213184_100102629194 [0,1,0,0,0,0|1,0,2]=4 3160 B10R0.74 C=CC(C)COCCCCC 34a_100011215527_100000718602 [0,1,0,0,0,0|2,0,1]=4 3161 B10R0.74 C=CC(C)COCCCCC 7a_100011215527_100000210326 [0,1,0,0,0,0|2,0,1]=4 3162 B10R0.74 C=CC(C)OCCCCCC 34a_100000695699_100000210314 [0,1,0,0,0,0|2,0,1]=4 3163 B10R0.74 C=CC(C)SCCCCCC 62a_100011215867_100000210757 [0,1,0,0,0,0|2,0,1]=4 3164 B10R0.74 C=CC(O)CNCCCCC 2230a_100000209983_100000730141 [0,1,0,0,0,0|1,0,1]=3 3165 B10R0.74 C=CC(O)CNCCCCO 2230a_100000750430_100000730141 [0,1,0,0,0,0|2,0,1]=4 3166 B10R0.74 C=CC(O)CNCCCCO 34a_100000750430_100000730141 [0,1,0,0,0,0|2,0,1]=4 3167 B10R0.74 C=CC(O)CNCCCOC 34a_100150723488_100000730141 [0,1,0,0,0,0|2,0,1]=4 3168 B10R0.74 C=CC(O)CNCCCSC 2230a_100000749238_100000730141 [0,1,0,0,0,0|2,0,1]=4 3169 B10R0.74 C=CC(O)CNCCOCC 2230a_102516460346_100000730141 [0,1,0,0,0,0|2,0,1]=4 3170 B10R0.74 C=CC(O)CNCCOCC 34a_102516460346_100000730141 [0,1,0,0,0,0|2,0,1]=4 3171 B10R0.74 C=CC(O)CNCCSCC 2230a_100000106463_100000730141 [0,1,0,0,0,0|2,0,1]=4 3172 B10R0.74 C=CC(O)COCCCCBr 34a_100011216708_100000730141 [0,1,0,0,0,0|2,0,1]=4 3173 B10R0.74 C=CC(O)COCCCCC 34a_100000210253_100000730141 [0,1,0,0,0,0|1,0,1]=3 3174 B10R0.74 C=CC(O)COCCCCC 7a_100000210253_100000730141 [0,1,0,0,0,0|1,0,1]=3 3175 B10R0.74 C=CC(O)COCCCCCl 34a_100000210776_100000730141 [0,1,0,0,0,0|2,0,1]=4 3176 B10R0.74 C=CC(O)COCCCCCl 7a_100000210776_100000730141 [0,1,0,0,0,0|2,0,1]=4 3177 B10R0.74 C=CC(O)COCCCCF 34a_100011995726_100000730141 [0,1,0,0,0,0|2,0,1]=4 3178 B10R0.74 C=CC(O)COCCCCF 7a_100011995726_100000730141 [0,1,0,0,0,0|2,0,1]=4 3179 B10R0.74 C=CC(O)COCCCCI 34a_200012148704_100000730141 [0,1,0,0,0,0|2,0,1]=4 3180 B10R0.74 C=CC(O)COCCCCN 34a_100000750430_100000730141 [0,1,0,0,0,0|2,0,1]=4 3181 B10R0.74 C=CC(O)COCCCNC 34a_100000213112_100000730141 [0,1,0,0,0,0|2,0,1]=4 3182 B10R0.74 C=CC(O)COCCCOC 34a_100000740835_100000730141 [0,1,0,0,0,0|2,0,1]=4 3183 B10R0.74 C=CC(O)COCCCSC 34a_100000690336_100000730141 [0,1,0,0,0,0|2,0,1]=4 3184 B10R0.74 C=CC(O)COCCCSC 7a_100000690336_100000730141 [0,1,0,0,0,0|2,0,1]=4 3185 B10R0.74 C=CC(O)COCCOCC 34a_100000210136_100000730141 [0,1,0,0,0,0|2,0,1]=4 3186 B10R0.74 C=CC(O)COCCOCC 7a_100000210136_100000730141 [0,1,0,0,0,0|2,0,1]=4 3187 B10R0.74 C=CC(O)COCCSCC 34a_100000212035_100000730141 [0,1,0,0,0,0|2,0,1]=4 3188 B10R0.74 C=CC(O)COCCSCC 7a_100000212035_100000730141 [0,1,0,0,0,0|2,0,1]=4 3189 B10R0.74 C=CC(O)CSCCCCC 62a_100000210326_100000730141 [0,1,0,0,0,0|1,0,1]=3 3190 B10R0.74 C=CC(O)CSCCCCC 62a_100000730141_100000210326 [0,1,0,0,0,0|1,0,1]=3 3191 B10R0.74 C=CC(O)CSCCCCF 62a_100000729493_100000730141 [0,1,0,0,0,0|2,0,1]=4 3192 B10R0.74 C=CC(O)CSCCCCF 62a_100000730141_100000729493 [0,1,0,0,0,0|2,0,1]=4 3193 B10R0.74 C=CC(O)CSCCCCO 62a_100000210776_100000730141 [0,1,0,0,0,0|2,0,1]=4 3194 B10R0.74 C=CC(O)CSCCCCO 62a_100000730141_100000210776 [0,1,0,0,0,0|2,0,1]=4 3195 B10R0.74 C=CC(O)CSCCCOC 62a_100000709357_100000730141 [0,1,0,0,0,0|2,0,1]=4 3196 B10R0.74 C=CC(O)CSCCCOC 62a_100000730141_100000709357 [0,1,0,0,0,0|2,0,1]=4 3197 B10R0.74 C=CC(O)CSCCOCC 62a_100000210147_100000730141 [0,1,0,0,0,0|2,0,1]=4 3198 B10R0.74 C=CC(O)CSCCOCC 62a_100000730141_100011215890 [0,1,0,0,0,0|2,0,1]=4 3199 B10R0.74 C=CC(O)CSCCSCC 62a_100000730141_100000757381 [0,1,0,0,0,0|2,0,1]=4 3200 B10R0.74 C=CC(O)CSCCSCC 62a_100000757381_100000730141 [0,1,0,0,0,0|2,0,1]=4 3201 B10R0.74 C=CCCCCCC(=O)CO 1458a_100000210174_100000700193 [0,1,0,0,0,0|0,0,3]=4 3202 B10R0.74 C=CCCCCNC(C)CO 2230a_100000703577_100012180447 [0,1,0,0,0,0|1,0,2]=4 3203 B10R0.74 C=CCCCCNC(C)CO 34a_100000703577_100012180447 [0,1,0,0,0,0|1,0,2]=4 3204 B10R0.74 C=CCCCCN[C@H](C)CO 2230a_100000737577_100011215482 [0,1,0,0,0,0|1,0,2]=4 3205 B10R0.74 C=CCCCCOC(C)CO 34a_100000766645_100012180447 [0,1,0,0,0,0|1,0,2]=4 3206 B10R0.74 C=CCCCCOC(C)CO 7a_100000766645_100012180447 [0,1,0,0,0,0|1,0,2]=4 3207 B10R0.74 C=CCCCCSC(C)CO 62a_100012180447_100011215482 [0,1,0,0,0,0|1,0,2]=4 3208 B10R0.74 C=CCCCCS[C@H](C)CO 62a_100011215482_100016084084 [0,1,0,0,0,0|1,0,2]=4 3209 B10R0.74 C=CCCCCS[C@H](C)CO 62a_100016084084_100011215482 [0,1,0,0,0,0|1,0,2]=4 3210 B10R0.74 C=CCCCNCC(C)CO 34a_100000744482_100000757094 [0,1,0,0,0,0|1,0,2]=4 3211 B10R0.74 C=CCCCNCC(O)CC 2230a_100000700776_100011218378 [0,1,0,0,0,0|1,0,2]=4 3212 B10R0.74 C=CCCCNCC(O)CC 2230a_100011218483_100011713584 [0,1,0,0,0,0|1,0,2]=4 3213 B10R0.74 C=CCCCNCC(O)CC 34a_100000700776_100011218378 [0,1,0,0,0,0|1,0,2]=4 3214 B10R0.74 C=CCCCNCC(O)CO 2230a_100000700776_100011219619 [0,1,0,0,0,0|0,0,2]=3 3215 B10R0.74 C=CCCCNCC(O)CO 34a_100000700776_100011219619 [0,1,0,0,0,0|0,0,2]=3 3216 B10R0.74 C=CCCCNC[C@@H](C)CO 2230a_100000700776_100000059175 [0,1,0,0,0,0|1,0,2]=4 3217 B10R0.74 C=CCCCNC[C@@H](C)CO 34a_100000700776_100000059175 [0,1,0,0,0,0|1,0,2]=4 3218 B10R0.74 C=CCCCNC[C@@H](F)CO 34a_100015665980_100000757094 [0,1,0,0,0,0|1,0,2]=4 3219 B10R0.74 C=CCCCNC[C@@H](O)CF 2230a_100000700776_100015614560 [0,1,0,0,0,0|1,0,2]=4 3220 B10R0.74 C=CCCCNC[C@@H](O)CF 34a_100000700776_100015614560 [0,1,0,0,0,0|1,0,2]=4 3221 B10R0.74 C=CCCCNC[C@@H](O)CO 2230a_100000700776_100009815848 [0,1,0,0,0,0|0,0,2]=3 3222 B10R0.74 C=CCCCNC[C@@H](O)CO 34a_100000700776_100009815848 [0,1,0,0,0,0|0,0,2]=3 3223 B10R0.74 C=CCCCNC[C@H](O)CO 2230a_100020644852_100011713584 [0,1,0,0,0,0|0,0,2]=3 3224 B10R0.74 C=CCCCOCC(O)CC 34a_100000758997_100011218378 [0,1,0,0,0,0|1,0,2]=4 3225 B10R0.74 C=CCCCOCC(O)CC 7a_100000758997_100011218378 [0,1,0,0,0,0|1,0,2]=4 3226 B10R0.74 C=CCCCOCC(O)CO 34a_100000758997_100011219619 [0,1,0,0,0,0|0,0,2]=3 3227 B10R0.74 C=CCCCOCC(O)CO 7a_100000758997_100011219619 [0,1,0,0,0,0|0,0,2]=3 3228 B10R0.74 C=CCCCOC[C@@H](C)CO 34a_100000758997_100000059175 [0,1,0,0,0,0|1,0,2]=4 3229 B10R0.74 C=CCCCOC[C@@H](C)CO 7a_100000758997_100000059175 [0,1,0,0,0,0|1,0,2]=4 3230 B10R0.74 C=CCCCOC[C@@H](O)CF 34a_100000758997_100015614560 [0,1,0,0,0,0|1,0,2]=4 3231 B10R0.74 C=CCCCOC[C@@H](O)CF 7a_100000758997_100015614560 [0,1,0,0,0,0|1,0,2]=4 3232 B10R0.74 C=CCCCOC[C@@H](O)CO 34a_100000758997_100009815848 [0,1,0,0,0,0|0,0,2]=3 3233 B10R0.74 C=CCCCOC[C@@H](O)CO 7a_100000758997_100009815848 [0,1,0,0,0,0|0,0,2]=3 3234 B10R0.74 C=CCCCSCC(O)CC 62a_100011218378_100000757094 [0,1,0,0,0,0|1,0,2]=4 3235 B10R0.74 C=CCCCSCC(O)CC 62a_100011713584_100011218378 [0,1,0,0,0,0|1,0,2]=4 3236 B10R0.74 C=CCCCSCC(O)CO 62a_100011219619_100000757094 [0,1,0,0,0,0|0,0,2]=3 3237 B10R0.74 C=CCCCSCC(O)CO 62a_100011713584_100011219619 [0,1,0,0,0,0|0,0,2]=3 3238 B10R0.74 C=CCCCSC[C@@H](C)CO 62a_100000059175_100000757094 [0,1,0,0,0,0|1,0,2]=4 3239 B10R0.74 C=CCCCSC[C@@H](C)CO 62a_100011713584_100000059175 [0,1,0,0,0,0|1,0,2]=4 3240 B10R0.74 C=CCCCSC[C@@H](O)CF 62a_100011713584_100015614560 [0,1,0,0,0,0|1,0,2]=4 3241 B10R0.74 C=CCCCSC[C@@H](O)CF 62a_100015614560_100000757094 [0,1,0,0,0,0|1,0,2]=4 3242 B10R0.74 C=CCCCSC[C@@H](O)CO 62a_100009815848_100000757094 [0,1,0,0,0,0|0,0,2]=3 3243 B10R0.74 C=CCCCSC[C@@H](O)CO 62a_100011713584_100009815848 [0,1,0,0,0,0|0,0,2]=3 3244 B10R0.74 C=CCCNCCC(C)CO 2230a_106354213184_100000754431 [0,1,0,0,0,0|1,0,2]=4 3245 B10R0.74 C=CCCNCCC(C)CO 34a_106354213184_100000754431 [0,1,0,0,0,0|1,0,2]=4 3246 B10R0.74 C=COCCNC[C@H](O)CO 2230a_100020644852_100000039644 [0,1,0,0,0,0|1,0,2]=4 3247 B10R0.74 C=COCCOCC(O)CO 34a_100000033082_100011219619 [0,1,0,0,0,0|1,0,2]=4 3248 B10R0.74 C=COCCOC[C@@H](O)CO 34a_100000033082_100009815848 [0,1,0,0,0,0|1,0,2]=4 3249 B10R0.74 C=COCCSCC(O)CO 62a_100000039644_100011219619 [0,1,0,0,0,0|1,0,2]=4 3250 B10R0.74 C=COCCSCC(O)CO 62a_100011219619_100000039644 [0,1,0,0,0,0|1,0,2]=4 3251 B10R0.74 C=COCCSC[C@@H](O)CO 62a_100000039644_100009815848 [0,1,0,0,0,0|1,0,2]=4 3252 B10R0.74 C=COCCSC[C@@H](O)CO 62a_100009815848_100000039644 [0,1,0,0,0,0|1,0,2]=4 3253 B10R0.74 C=C[C@H](N)COCCCCC 34a_100016989147_100000718602 [0,1,0,0,0,0|2,0,1]=4 3254 B10R0.74 CC#CCCOCC(O)CC 34a_100000750427_100011218378 [0,1,0,0,0,0|1,0,2]=4 3255 B10R0.74 CC#CCCOCC(O)CO 34a_100000750427_100011219619 [0,1,0,0,0,0|0,0,2]=3 3256 B10R0.74 CC#CCCOC[C@@H](C)CO 34a_100000750427_100000059175 [0,1,0,0,0,0|1,0,2]=4 3257 B10R0.74 CC#CCCOC[C@@H](O)CF 34a_100000750427_100015614560 [0,1,0,0,0,0|1,0,2]=4 3258 B10R0.74 CC#CCCOC[C@@H](O)CO 34a_100000750427_100009815848 [0,1,0,0,0,0|0,0,2]=3 3259 B10R0.74 CC#CCNCCC(C)CO 2230a_106354213184_100000748600 [0,1,0,0,0,0|1,0,2]=4 3260 B10R0.74 CC#CCNCCC(C)CO 34a_106354213184_100000748600 [0,1,0,0,0,0|1,0,2]=4 3261 B10R0.74 CC(CF)OCCCCCF 34a_100016041109_100000729378 [0,1,0,0,0,0|3,0,0]=4 3262 B10R0.74 CC(CF)OCCCCCF 7a_100016041109_100000729378 [0,1,0,0,0,0|3,0,0]=4 3263 B10R0.74 CC(CF)OCCCCCO 34a_100016041109_100000746330 [0,1,0,0,0,0|3,0,0]=4 3264 B10R0.74 CC(CF)OCCCCCO 7a_100016041109_100000746330 [0,1,0,0,0,0|3,0,0]=4 3265 B10R0.74 CC(CN)COCCCCF 34a_100000744482_100000729493 [0,1,0,0,0,0|3,0,0]=4 3266 B10R0.74 CC(CN)COCCCCO 34a_100000744482_100011216708 [0,1,0,0,0,0|3,0,0]=4 3267 B10R0.74 CC(CN)OCCCCCF 34a_100000210904_100000729378 [0,1,0,0,0,0|3,0,0]=4 3268 B10R0.74 CC(CN)OCCCCCO 34a_100000210904_100000746330 [0,1,0,0,0,0|3,0,0]=4 3269 B10R0.74 CC(CO)CCNCCC#N 2230a_106354213184_100011215226 [0,1,0,0,0,0|2,0,1]=4 3270 B10R0.74 CC(CO)CCNCCCF 2230a_106354213184_100011934791 [0,1,0,0,0,0|2,0,0]=3 3271 B10R0.74 CC(CO)CCNCCCF 34a_106354213184_100011934791 [0,1,0,0,0,0|2,0,0]=3 3272 B10R0.74 CC(CO)CCNCCCO 2230a_106354213184_100000230001 [0,1,0,0,0,0|2,0,0]=3 3273 B10R0.74 CC(CO)CCNCCCO 34a_106354213184_100000230001 [0,1,0,0,0,0|2,0,0]=3 3274 B10R0.74 CC(CO)CNCCCCF 34a_100000744482_100000729493 [0,1,0,0,0,0|2,0,0]=3 3275 B10R0.74 CC(CO)CNCCCCO 34a_100000744482_100011216708 [0,1,0,0,0,0|2,0,0]=3 3276 B10R0.74 CC(CO)NCCCCCO 2230a_100000762737_100012180447 [0,1,0,0,0,0|2,0,0]=3 3277 B10R0.74 CC(CO)NCCCCCO 34a_100000762737_100012180447 [0,1,0,0,0,0|2,0,0]=3 3278 B10R0.74 CC(CO)NCCOCCO 2230a_100000211614_100012180447 [0,1,0,0,0,0|3,0,0]=4 3279 B10R0.74 CC(CO)NCCOCCO 34a_100000211614_100012180447 [0,1,0,0,0,0|3,0,0]=4 3280 B10R0.74 CC(CO)NCCSCCO 2230a_100011219999_100012180447 [0,1,0,0,0,0|3,0,0]=4 3281 B10R0.74 CC(CO)OCCCCCBr 34a_100000746331_100012180447 [0,1,0,0,0,0|2,0,0]=3 3282 B10R0.74 CC(CO)OCCCCCBr 7a_100000746331_100012180447 [0,1,0,0,0,0|2,0,0]=3 3283 B10R0.74 CC(CO)OCCCCCCl 34a_100000746330_100012180447 [0,1,0,0,0,0|2,0,0]=3 3284 B10R0.74 CC(CO)OCCCCCCl 7a_100000746330_100012180447 [0,1,0,0,0,0|2,0,0]=3 3285 B10R0.74 CC(CO)OCCCCCI 34a_200012148887_100012180447 [0,1,0,0,0,0|2,0,0]=3 3286 B10R0.74 CC(CO)OCCCCCI 7a_200012148887_100012180447 [0,1,0,0,0,0|2,0,0]=3 3287 B10R0.74 CC(CO)OCCCCCN 34a_100000762737_100012180447 [0,1,0,0,0,0|2,0,0]=3 3288 B10R0.74 CC(CO)OCCOCCBr 34a_100000692535_100012180447 [0,1,0,0,0,0|3,0,0]=4 3289 B10R0.74 CC(CO)OCCOCCBr 7a_100000692535_100012180447 [0,1,0,0,0,0|3,0,0]=4 3290 B10R0.74 CC(CO)OCCOCCCl 34a_100011215305_100012180447 [0,1,0,0,0,0|3,0,0]=4 3291 B10R0.74 CC(CO)OCCOCCCl 7a_100011215305_100012180447 [0,1,0,0,0,0|3,0,0]=4 3292 B10R0.74 CC(CO)OCCOCCF 34a_200015357709_100012180447 [0,1,0,0,0,0|3,0,0]=4 3293 B10R0.74 CC(CO)OCCOCCF 7a_200015357709_100012180447 [0,1,0,0,0,0|3,0,0]=4 3294 B10R0.74 CC(CO)OCCOCCI 34a_100012149058_100012180447 [0,1,0,0,0,0|3,0,0]=4 3295 B10R0.74 CC(CO)OCCOCCI 7a_100012149058_100012180447 [0,1,0,0,0,0|3,0,0]=4 3296 B10R0.74 CC(CO)OCCOCCN 34a_100000211614_100012180447 [0,1,0,0,0,0|3,0,0]=4 3297 B10R0.74 CC(CO)SCCCCC#N 62a_100012180447_100000211819 [0,1,0,0,0,0|2,0,1]=4 3298 B10R0.74 CC(CO)SCCCCC=O 62a_100012180447_100000139335 [0,1,0,0,0,0|2,0,1]=4 3299 B10R0.74 CC(CO)SCCCCCF 62a_100012180447_100000729378 [0,1,0,0,0,0|2,0,0]=3 3300 B10R0.74 CC(CO)SCCCCCO 62a_100012180447_100000746330 [0,1,0,0,0,0|2,0,0]=3 3301 B10R0.74 CC(CO)SCCOCCO 62a_100012180447_100011215305 [0,1,0,0,0,0|3,0,0]=4 3302 B10R0.74 CC/C=C\CCN[C@H](C)CO 2230a_100000737577_100015370543 [0,1,0,0,0,0|1,0,2]=4 3303 B10R0.74 CC/C=C\CCOC(C)CO 34a_100016288707_100012180447 [0,1,0,0,0,0|1,0,2]=4 3304 B10R0.74 CC/C=C\CCOC(C)CO 7a_100016288707_100012180447 [0,1,0,0,0,0|1,0,2]=4 3305 B10R0.74 CC/C=C\CCSC(C)CO 62a_100012180447_100015370543 [0,1,0,0,0,0|1,0,2]=4 3306 B10R0.74 CC/C=C\CCS[C@H](C)CO 62a_100015370543_100016084084 [0,1,0,0,0,0|1,0,2]=4 3307 B10R0.74 CC/C=C\CCS[C@H](C)CO 62a_100016084084_100015370543 [0,1,0,0,0,0|1,0,2]=4 3308 B10R0.74 CC/C=C\CNCC(C)CO 34a_100000744482_100103147603 [0,1,0,0,0,0|1,0,2]=4 3309 B10R0.74 CC/C=C\CNCC(O)CC 2230a_100011218483_100103147603 [0,1,0,0,0,0|1,0,2]=4 3310 B10R0.74 CC/C=C\CNC[C@@H](F)CO 34a_100015665980_100103147603 [0,1,0,0,0,0|1,0,2]=4 3311 B10R0.74 CC/C=C\CNC[C@H](O)CO 2230a_100020644852_100103147603 [0,1,0,0,0,0|0,0,2]=3 3312 B10R0.74 CC/C=C\COCC(O)CC 34a_100016268518_100011218378 [0,1,0,0,0,0|1,0,2]=4 3313 B10R0.74 CC/C=C\COCC(O)CO 34a_100016268518_100011219619 [0,1,0,0,0,0|0,0,2]=3 3314 B10R0.74 CC/C=C\COC[C@@H](C)CO 34a_100016268518_100000059175 [0,1,0,0,0,0|1,0,2]=4 3315 B10R0.74 CC/C=C\COC[C@@H](O)CF 34a_100016268518_100015614560 [0,1,0,0,0,0|1,0,2]=4 3316 B10R0.74 CC/C=C\COC[C@@H](O)CO 34a_100016268518_100009815848 [0,1,0,0,0,0|0,0,2]=3 3317 B10R0.74 CC/C=C\CSCC(O)CC 62a_100011218378_100103147603 [0,1,0,0,0,0|1,0,2]=4 3318 B10R0.74 CC/C=C\CSCC(O)CC 62a_100103147603_100011218378 [0,1,0,0,0,0|1,0,2]=4 3319 B10R0.74 CC/C=C\CSCC(O)CO 62a_100011219619_100103147603 [0,1,0,0,0,0|0,0,2]=3 3320 B10R0.74 CC/C=C\CSCC(O)CO 62a_100103147603_100011219619 [0,1,0,0,0,0|0,0,2]=3 3321 B10R0.74 CC/C=C\CSC[C@@H](C)CO 62a_100000059175_100103147603 [0,1,0,0,0,0|1,0,2]=4 3322 B10R0.74 CC/C=C\CSC[C@@H](C)CO 62a_100103147603_100000059175 [0,1,0,0,0,0|1,0,2]=4 3323 B10R0.74 CC/C=C\CSC[C@@H](O)CF 62a_100015614560_100103147603 [0,1,0,0,0,0|1,0,2]=4 3324 B10R0.74 CC/C=C\CSC[C@@H](O)CF 62a_100103147603_100015614560 [0,1,0,0,0,0|1,0,2]=4 3325 B10R0.74 CC/C=C\CSC[C@@H](O)CO 62a_100009815848_100103147603 [0,1,0,0,0,0|0,0,2]=3 3326 B10R0.74 CC/C=C\CSC[C@@H](O)CO 62a_100103147603_100009815848 [0,1,0,0,0,0|0,0,2]=3 3327 B10R0.74 CC=CCCCOC(C)CO 34a_100020645299_100012180447 [0,1,0,0,0,0|1,0,2]=4 3328 B10R0.74 CC=CCNCCC(C)CO 2230a_106354213184_100000070051 [0,1,0,0,0,0|1,0,2]=4 3329 B10R0.74 CC=CCNCCC(C)CO 34a_106354213184_100000070051 [0,1,0,0,0,0|1,0,2]=4 3330 B10R0.74 CCC#CCCOC(C)CO 34a_100000036655_100012180447 [0,1,0,0,0,0|1,0,2]=4 3331 B10R0.74 CCC#CCCOC(C)CO 7a_100000036655_100012180447 [0,1,0,0,0,0|1,0,2]=4 3332 B10R0.74 CCC#CCNCC(C)CO 34a_100000744482_100009813939 [0,1,0,0,0,0|1,0,2]=4 3333 B10R0.74 CCC#CCNCC(O)CC 2230a_100011218483_100009813939 [0,1,0,0,0,0|1,0,2]=4 3334 B10R0.74 CCC#CCNC[C@@H](F)CO 34a_100015665980_100009813939 [0,1,0,0,0,0|1,0,2]=4 3335 B10R0.74 CCC#CCNC[C@H](O)CO 2230a_100020644852_100009813939 [0,1,0,0,0,0|0,0,2]=3 3336 B10R0.74 CCC#CCOCC(O)CC 34a_100000032950_100011218378 [0,1,0,0,0,0|1,0,2]=4 3337 B10R0.74 CCC#CCOCC(O)CO 34a_100000032950_100011219619 [0,1,0,0,0,0|0,0,2]=3 3338 B10R0.74 CCC#CCOC[C@@H](C)CO 34a_100000032950_100000059175 [0,1,0,0,0,0|1,0,2]=4 3339 B10R0.74 CCC#CCOC[C@@H](O)CF 34a_100000032950_100015614560 [0,1,0,0,0,0|1,0,2]=4 3340 B10R0.74 CCC#CCOC[C@@H](O)CO 34a_100000032950_100009815848 [0,1,0,0,0,0|0,0,2]=3 3341 B10R0.74 CCC#CCSCC(O)CC 62a_100009813939_100011218378 [0,1,0,0,0,0|1,0,2]=4 3342 B10R0.74 CCC#CCSCC(O)CC 62a_100011218378_100009813939 [0,1,0,0,0,0|1,0,2]=4 3343 B10R0.74 CCC#CCSCC(O)CO 62a_100009813939_100011219619 [0,1,0,0,0,0|0,0,2]=3 3344 B10R0.74 CCC#CCSCC(O)CO 62a_100011219619_100009813939 [0,1,0,0,0,0|0,0,2]=3 3345 B10R0.74 CCC#CCSC[C@@H](C)CO 62a_100000059175_100009813939 [0,1,0,0,0,0|1,0,2]=4 3346 B10R0.74 CCC#CCSC[C@@H](C)CO 62a_100009813939_100000059175 [0,1,0,0,0,0|1,0,2]=4 3347 B10R0.74 CCC#CCSC[C@@H](O)CF 62a_100009813939_100015614560 [0,1,0,0,0,0|1,0,2]=4 3348 B10R0.74 CCC#CCSC[C@@H](O)CF 62a_100015614560_100009813939 [0,1,0,0,0,0|1,0,2]=4 3349 B10R0.74 CCC#CCSC[C@@H](O)CO 62a_100009813939_100009815848 [0,1,0,0,0,0|0,0,2]=3 3350 B10R0.74 CCC#CCSC[C@@H](O)CO 62a_100009815848_100009813939 [0,1,0,0,0,0|0,0,2]=3 3351 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [0,1,0,0,0,0|1,0,2]=4 3352 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [0,1,0,0,0,0|1,0,2]=4 3353 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [0,1,0,0,0,0|1,0,2]=4 3354 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [0,1,0,0,0,0|1,0,2]=4 3355 B10R0.74 CCC(C)CCCCCOC 7a_200000035636_200000210301 [0,1,0,0,0,0|2,0,0]=3 3356 B10R0.74 CCC(C)CCCCCO[13CH3] 7a_200000035636_200025704644 [0,1,0,0,0,0|2,0,0]=3 3357 B10R0.74 CCC(C)CCCOCCF 7a_100011216074_100011217306 [0,1,0,0,0,0|3,0,0]=4 3358 B10R0.74 CCC(C)CCCOCCO 7a_100011216074_100000211926 [0,1,0,0,0,0|3,0,0]=4 3359 B10R0.74 CCC(C)CCNCCCF 2230a_100020591266_100011934791 [0,1,0,0,0,0|3,0,0]=4 3360 B10R0.74 CCC(C)CCNCCCO 2230a_100020591266_100000230001 [0,1,0,0,0,0|3,0,0]=4 3361 B10R0.74 CCC(C)CCNCCOC 2230a_100020591266_100011201679 [0,1,0,0,0,0|3,0,0]=4 3362 B10R0.74 CCC(C)CCNCCSC 2230a_100020591266_100000751147 [0,1,0,0,0,0|3,0,0]=4 3363 B10R0.74 CCC(C)CCOCCCF 7a_100011215188_100011934791 [0,1,0,0,0,0|3,0,0]=4 3364 B10R0.74 CCC(C)CCOCCCO 7a_100011215188_100011215043 [0,1,0,0,0,0|3,0,0]=4 3365 B10R0.74 CCC(C)CCOCCOC 7a_100011215188_100000233755 [0,1,0,0,0,0|3,0,0]=4 3366 B10R0.74 CCC(C)CCOCCSC 7a_100011215188_100000212216 [0,1,0,0,0,0|3,0,0]=4 3367 B10R0.74 CCC(C)CNCCCCF 2230a_100020588543_100000729493 [0,1,0,0,0,0|3,0,0]=4 3368 B10R0.74 CCC(C)CNCCCCO 2230a_100000750430_100000748023 [0,1,0,0,0,0|3,0,0]=4 3369 B10R0.74 CCC(C)CNCCCCO 2230a_100020588543_100000210776 [0,1,0,0,0,0|3,0,0]=4 3370 B10R0.74 CCC(C)CNCCCCO 270004a_100000750430_100000243153 [0,1,0,0,0,0|3,0,0]=4 3371 B10R0.74 CCC(C)CNCCCCO 34a_100000750430_100000748023 [0,1,0,0,0,0|3,0,0]=4 3372 B10R0.74 CCC(C)CNCCCOC 2230a_100020588543_100000740836 [0,1,0,0,0,0|3,0,0]=4 3373 B10R0.74 CCC(C)CNCCCOC 270004a_100150723488_100000243153 [0,1,0,0,0,0|3,0,0]=4 3374 B10R0.74 CCC(C)CNCCCOC 34a_100150723488_100000748023 [0,1,0,0,0,0|3,0,0]=4 3375 B10R0.74 CCC(C)CNCCCSC 2230a_100000749238_100000748023 [0,1,0,0,0,0|3,0,0]=4 3376 B10R0.74 CCC(C)CNCCCSC 270004a_100000749238_100000243153 [0,1,0,0,0,0|3,0,0]=4 3377 B10R0.74 CCC(C)COCCCCBr 34a_100011216708_100000748023 [0,1,0,0,0,0|3,0,0]=4 3378 B10R0.74 CCC(C)COCCCCCl 34a_100000210776_100000748023 [0,1,0,0,0,0|3,0,0]=4 3379 B10R0.74 CCC(C)COCCCCCl 7a_100000210776_100000748023 [0,1,0,0,0,0|3,0,0]=4 3380 B10R0.74 CCC(C)COCCCCF 34a_100011995726_100000748023 [0,1,0,0,0,0|3,0,0]=4 3381 B10R0.74 CCC(C)COCCCCF 7a_100011995726_100000748023 [0,1,0,0,0,0|3,0,0]=4 3382 B10R0.74 CCC(C)COCCCCI 34a_200012148704_100000748023 [0,1,0,0,0,0|3,0,0]=4 3383 B10R0.74 CCC(C)COCCCCN 34a_100000750430_100000748023 [0,1,0,0,0,0|3,0,0]=4 3384 B10R0.74 CCC(C)COCCCNC 34a_100000213112_100000748023 [0,1,0,0,0,0|3,0,0]=4 3385 B10R0.74 CCC(C)COCCCOC 34a_100000740835_100000748023 [0,1,0,0,0,0|3,0,0]=4 3386 B10R0.74 CCC(C)COCCCSC 34a_100000690336_100000748023 [0,1,0,0,0,0|3,0,0]=4 3387 B10R0.74 CCC(C)COCCCSC 7a_100000690336_100000748023 [0,1,0,0,0,0|3,0,0]=4 3388 B10R0.74 CCC(C)CSCCCCF 62a_100000729493_100000748023 [0,1,0,0,0,0|3,0,0]=4 3389 B10R0.74 CCC(C)CSCCCCF 62a_100000748023_100000729493 [0,1,0,0,0,0|3,0,0]=4 3390 B10R0.74 CCC(C)CSCCCCO 62a_100000210776_100000748023 [0,1,0,0,0,0|3,0,0]=4 3391 B10R0.74 CCC(C)CSCCCCO 62a_100000748023_100000210776 [0,1,0,0,0,0|3,0,0]=4 3392 B10R0.74 CCC(C)CSCCCOC 62a_100000709357_100000748023 [0,1,0,0,0,0|3,0,0]=4 3393 B10R0.74 CCC(C)CSCCCOC 62a_100000748023_100000709357 [0,1,0,0,0,0|3,0,0]=4 3394 B10R0.74 CCC(C)NCCCCCF 2230a_100000209981_100000729378 [0,1,0,0,0,0|3,0,0]=4 3395 B10R0.74 CCC(C)NCCCCCO 2230a_100000209981_100000746330 [0,1,0,0,0,0|3,0,0]=4 3396 B10R0.74 CCC(C)NCCCCCO 2230a_100000762737_100000758301 [0,1,0,0,0,0|3,0,0]=4 3397 B10R0.74 CCC(C)NCCCCCO 34a_100000762737_100011215416 [0,1,0,0,0,0|3,0,0]=4 3398 B10R0.74 CCC(C)NCCCCOC 2230a_100000209981_100000730899 [0,1,0,0,0,0|3,0,0]=4 3399 B10R0.74 CCC(C)OCCCCCBr 34a_100000746331_100011215416 [0,1,0,0,0,0|3,0,0]=4 3400 B10R0.74 CCC(C)OCCCCCBr 7a_100000746331_100000758301 [0,1,0,0,0,0|3,0,0]=4 3401 B10R0.74 CCC(C)OCCCCCCl 34a_100000746330_100011215416 [0,1,0,0,0,0|3,0,0]=4 3402 B10R0.74 CCC(C)OCCCCCCl 7a_100000746330_100000758301 [0,1,0,0,0,0|3,0,0]=4 3403 B10R0.74 CCC(C)OCCCCCF 7a_100000210228_100000729378 [0,1,0,0,0,0|3,0,0]=4 3404 B10R0.74 CCC(C)OCCCCCI 34a_200012148887_100011215416 [0,1,0,0,0,0|3,0,0]=4 3405 B10R0.74 CCC(C)OCCCCCI 7a_200012148887_100000758301 [0,1,0,0,0,0|3,0,0]=4 3406 B10R0.74 CCC(C)OCCCCCN 34a_100000762737_100011215416 [0,1,0,0,0,0|3,0,0]=4 3407 B10R0.74 CCC(C)OCCCCCO 7a_100000210228_100000746330 [0,1,0,0,0,0|3,0,0]=4 3408 B10R0.74 CCC(C)OCCCCOC 34a_100000740925_100011215416 [0,1,0,0,0,0|3,0,0]=4 3409 B10R0.74 CCC(C)OCCCCOC 7a_100000210228_100000730899 [0,1,0,0,0,0|3,0,0]=4 3410 B10R0.74 CCC(C)OCCCCSC 34a_100011217163_100011215416 [0,1,0,0,0,0|3,0,0]=4 3411 B10R0.74 CCC(C)OCCCCSC 7a_100011217163_100000758301 [0,1,0,0,0,0|3,0,0]=4 3412 B10R0.74 CCC(C)SCCCCCF 62a_100000729378_100000758301 [0,1,0,0,0,0|3,0,0]=4 3413 B10R0.74 CCC(C)SCCCCCF 62a_100000758301_100000729378 [0,1,0,0,0,0|3,0,0]=4 3414 B10R0.74 CCC(C)SCCCCCO 62a_100000746330_100000758301 [0,1,0,0,0,0|3,0,0]=4 3415 B10R0.74 CCC(C)SCCCCCO 62a_100000758301_100000746330 [0,1,0,0,0,0|3,0,0]=4 3416 B10R0.74 CCC(C)SCCCCOC 62a_100000730899_100000758301 [0,1,0,0,0,0|3,0,0]=4 3417 B10R0.74 CCC(C)SCCCCOC 62a_100000758301_100000730899 [0,1,0,0,0,0|3,0,0]=4 3418 B10R0.74 CCC(O)CNCCCC#N 2230a_100011218483_100000687738 [0,1,0,0,0,0|2,0,1]=4 3419 B10R0.74 CCC(O)CNCCCC=O 2230a_100011218483_200011292268 [0,1,0,0,0,0|2,0,1]=4 3420 B10R0.74 CCC(O)CNCCCCF 2230a_100011218483_100000729493 [0,1,0,0,0,0|2,0,0]=3 3421 B10R0.74 CCC(O)CNCCCCO 2230a_100000750430_100011218378 [0,1,0,0,0,0|2,0,0]=3 3422 B10R0.74 CCC(O)CNCCCCO 2230a_100011218483_100000210776 [0,1,0,0,0,0|2,0,0]=3 3423 B10R0.74 CCC(O)CNCCCCO 34a_100000750430_100011218378 [0,1,0,0,0,0|2,0,0]=3 3424 B10R0.74 CCC(O)CNCCCOC 2230a_100011218483_100000740836 [0,1,0,0,0,0|2,0,0]=3 3425 B10R0.74 CCC(O)CNCCCOC 34a_100150723488_100011218378 [0,1,0,0,0,0|2,0,0]=3 3426 B10R0.74 CCC(O)CNCCCSC 2230a_100000749238_100011218378 [0,1,0,0,0,0|2,0,0]=3 3427 B10R0.74 CCC(O)COCCCCBr 34a_100011216708_100011218378 [0,1,0,0,0,0|2,0,0]=3 3428 B10R0.74 CCC(O)COCCCCCl 34a_100000210776_100011218378 [0,1,0,0,0,0|2,0,0]=3 3429 B10R0.74 CCC(O)COCCCCCl 7a_100000210776_100011218378 [0,1,0,0,0,0|2,0,0]=3 3430 B10R0.74 CCC(O)COCCCCF 34a_100011995726_100011218378 [0,1,0,0,0,0|2,0,0]=3 3431 B10R0.74 CCC(O)COCCCCF 7a_100011995726_100011218378 [0,1,0,0,0,0|2,0,0]=3 3432 B10R0.74 CCC(O)COCCCCI 34a_200012148704_100011218378 [0,1,0,0,0,0|2,0,0]=3 3433 B10R0.74 CCC(O)COCCCCN 34a_100000750430_100011218378 [0,1,0,0,0,0|2,0,0]=3 3434 B10R0.74 CCC(O)COCCCNC 34a_100000213112_100011218378 [0,1,0,0,0,0|2,0,0]=3 3435 B10R0.74 CCC(O)COCCCOC 34a_100000740835_100011218378 [0,1,0,0,0,0|2,0,0]=3 3436 B10R0.74 CCC(O)COCCCSC 34a_100000690336_100011218378 [0,1,0,0,0,0|2,0,0]=3 3437 B10R0.74 CCC(O)COCCCSC 7a_100000690336_100011218378 [0,1,0,0,0,0|2,0,0]=3 3438 B10R0.74 CCC(O)CSCCCC#N 62a_100000687738_100011218378 [0,1,0,0,0,0|2,0,1]=4 3439 B10R0.74 CCC(O)CSCCCC#N 62a_100011218378_100000687738 [0,1,0,0,0,0|2,0,1]=4 3440 B10R0.74 CCC(O)CSCCCC=O 62a_100011218378_200011292268 [0,1,0,0,0,0|2,0,1]=4 3441 B10R0.74 CCC(O)CSCCCC=O 62a_200011292268_100011218378 [0,1,0,0,0,0|2,0,1]=4 3442 B10R0.74 CCC(O)CSCCCCF 62a_100000729493_100011218378 [0,1,0,0,0,0|2,0,0]=3 3443 B10R0.74 CCC(O)CSCCCCF 62a_100011218378_100000729493 [0,1,0,0,0,0|2,0,0]=3 3444 B10R0.74 CCC(O)CSCCCCO 62a_100000210776_100011218378 [0,1,0,0,0,0|2,0,0]=3 3445 B10R0.74 CCC(O)CSCCCCO 62a_100011218378_100000210776 [0,1,0,0,0,0|2,0,0]=3 3446 B10R0.74 CCC(O)CSCCCOC 62a_100000709357_100011218378 [0,1,0,0,0,0|2,0,0]=3 3447 B10R0.74 CCC(O)CSCCCOC 62a_100011218378_100000709357 [0,1,0,0,0,0|2,0,0]=3 3448 B10R0.74 CCC/C=C/COC(C)CO 34a_100016278788_100012180447 [0,1,0,0,0,0|1,0,2]=4 3449 B10R0.74 CCC/C=C/COC(C)CO 7a_100016278788_100012180447 [0,1,0,0,0,0|1,0,2]=4 3450 B10R0.74 CCCC#CCOC(C)CO 34a_100000034806_100012180447 [0,1,0,0,0,0|1,0,2]=4 3451 B10R0.74 CCCC#CCOC(C)CO 7a_100000034806_100012180447 [0,1,0,0,0,0|1,0,2]=4 3452 B10R0.74 CCCC=NNCC(O)CC 4a_100015206393_100000185831 [0,1,0,0,0,0|2,0,1]=4 3453 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [0,1,0,0,0,0|1,0,2]=4 3454 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [0,1,0,0,0,0|1,0,2]=4 3455 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [0,1,0,0,0,0|1,0,2]=4 3456 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [0,1,0,0,0,0|0,0,2]=3 3457 B10R0.74 CCCCCCCC(C)NC 2230a_106832991635_200011218727 [0,1,0,0,0,0|3,0,0]=4 3458 B10R0.74 CCCCCCCC(C)NC 270004a_106832991635_100000210596 [0,1,0,0,0,0|3,0,0]=4 3459 B10R0.74 CCCCCCCC(C)NC 34a_100102657272_200011218727 [0,1,0,0,0,0|3,0,0]=4 3460 B10R0.74 CCCCCCCC(C)NC 7a_106832991635_200011218727 [0,1,0,0,0,0|3,0,0]=4 3461 B10R0.74 CCCCCCCC(C)OC 34a_100138415774_200011218727 [0,1,0,0,0,0|3,0,0]=4 3462 B10R0.74 CCCCCCCC(C)OC 34a_200011215852_200000210301 [0,1,0,0,0,0|3,0,0]=4 3463 B10R0.74 CCCCCCCC(C)OC 7a_200011215852_200000210301 [0,1,0,0,0,0|3,0,0]=4 3464 B10R0.74 CCCCCCCC(C)O[13CH3] 34a_200011215852_200025704644 [0,1,0,0,0,0|3,0,0]=4 3465 B10R0.74 CCCCCCCC(C)O[13CH3] 7a_200011215852_200025704644 [0,1,0,0,0,0|3,0,0]=4 3466 B10R0.74 CCCCCCCC(C)SC 62a_200000210301_200011218727 [0,1,0,0,0,0|3,0,0]=4 3467 B10R0.74 CCCCCCCC(C)SC 62a_200011218727_200000210301 [0,1,0,0,0,0|3,0,0]=4 3468 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200011218727_200025704644 [0,1,0,0,0,0|3,0,0]=4 3469 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200025704644_200011218727 [0,1,0,0,0,0|3,0,0]=4 3470 B10R0.74 CCCCCCCN(C)CC 2230a_100000225621_100000210681 [0,1,0,0,0,0|3,0,0]=4 3471 B10R0.74 CCCCCCCN(C)CC 2230a_100000228206_100000210202 [0,1,0,0,0,0|3,0,0]=4 3472 B10R0.74 CCCCCCCN(C)CC 2230a_100000228213_200000210301 [0,1,0,0,0,0|3,0,0]=4 3473 B10R0.74 CCCCCCCN(C)CC 269982a_100000225621_100000210681 [0,1,0,0,0,0|3,0,0]=4 3474 B10R0.74 CCCCCCCN(C)CC 269982a_100000228206_100000204670 [0,1,0,0,0,0|3,0,0]=4 3475 B10R0.74 CCCCCCCN(C)CC 269982a_100000228213_200000210301 [0,1,0,0,0,0|3,0,0]=4 3476 B10R0.74 CCCCCCCN(C)CF 269982a_100000228206_100015361967 [0,1,0,0,0,0|3,0,0]=4 3477 B10R0.74 CCCCCCCN([13CH3])CC 2230a_100000228213_200025704644 [0,1,0,0,0,0|3,0,0]=4 3478 B10R0.74 CCCCCCCN([13CH3])CC 269982a_100000228213_200025704644 [0,1,0,0,0,0|3,0,0]=4 3479 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [0,1,0,0,0,0|1,0,2]=4 3480 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [0,1,0,0,0,0|1,0,2]=4 3481 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [0,1,0,0,0,0|1,0,2]=4 3482 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [0,1,0,0,0,0|1,0,2]=4 3483 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [0,1,0,0,0,0|0,0,2]=3 3484 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [0,1,0,0,0,0|0,0,2]=3 3485 B10R0.74 CCCCCCNC(C)C#N 2230a_100000210581_100000184139 [0,1,0,0,0,0|2,0,1]=4 3486 B10R0.74 CCCCCCNC(C)C#N 2230a_100000737613_100000210314 [0,1,0,0,0,0|2,0,1]=4 3487 B10R0.74 CCCCCCNC(C)CC 2230a_100000209981_100000210314 [0,1,0,0,0,0|2,0,0]=3 3488 B10R0.74 CCCCCCNC(C)CC 2230a_100000210581_100000758301 [0,1,0,0,0,0|2,0,0]=3 3489 B10R0.74 CCCCCCNC(C)CO 2230a_100000210581_100012180447 [0,1,0,0,0,0|1,0,0]=2 3490 B10R0.74 CCCCCCN[C@H](C)CO 2230a_100000737577_100000210314 [0,1,0,0,0,0|1,0,0]=2 3491 B10R0.74 CCCCCCOC(C)C#N 34a_100011218135_100000210314 [0,1,0,0,0,0|2,0,1]=4 3492 B10R0.74 CCCCCCOC(C)C#N 7a_100000210259_100000703298 [0,1,0,0,0,0|2,0,1]=4 3493 B10R0.74 CCCCCCOC(C)CC 34a_100000210259_100011215416 [0,1,0,0,0,0|2,0,0]=3 3494 B10R0.74 CCCCCCOC(C)CC 7a_100000210228_100000210314 [0,1,0,0,0,0|2,0,0]=3 3495 B10R0.74 CCCCCCOC(C)CC 7a_100000210259_100000758301 [0,1,0,0,0,0|2,0,0]=3 3496 B10R0.74 CCCCCCOC(C)CF 34a_100016041109_100000210314 [0,1,0,0,0,0|2,0,0]=3 3497 B10R0.74 CCCCCCOC(C)CF 7a_100016041109_100000210314 [0,1,0,0,0,0|2,0,0]=3 3498 B10R0.74 CCCCCCOC(C)CN 34a_100000210904_100000210314 [0,1,0,0,0,0|2,0,0]=3 3499 B10R0.74 CCCCCCOC(C)CO 34a_100000210259_100012180447 [0,1,0,0,0,0|1,0,0]=2 3500 B10R0.74 CCCCCCOC(C)CO 7a_100000210259_100012180447 [0,1,0,0,0,0|1,0,0]=2 3501 B10R0.74 CCCCCCSC(C)C#N 62a_100000210314_100000703298 [0,1,0,0,0,0|2,0,1]=4 3502 B10R0.74 CCCCCCSC(C)C#N 62a_100000703298_100000210757 [0,1,0,0,0,0|2,0,1]=4 3503 B10R0.74 CCCCCCSC(C)CC 62a_100000210314_100000758301 [0,1,0,0,0,0|2,0,0]=3 3504 B10R0.74 CCCCCCSC(C)CC 62a_100000758301_100000210757 [0,1,0,0,0,0|2,0,0]=3 3505 B10R0.74 CCCCCCSC(C)CO 62a_100012180447_100000210757 [0,1,0,0,0,0|1,0,0]=2 3506 B10R0.74 CCCCCCSC(C)OC 62a_100000210314_100009879195 [0,1,0,0,0,0|3,0,0]=4 3507 B10R0.74 CCCCCCSC(C)OC 62a_100009879195_100000210757 [0,1,0,0,0,0|3,0,0]=4 3508 B10R0.74 CCCCCCSC(F)C#N 62a_100000210314_200000117898 [0,1,0,0,0,0|2,0,1]=4 3509 B10R0.74 CCCCCCSC(F)C#N 62a_200000117898_100000210757 [0,1,0,0,0,0|2,0,1]=4 3510 B10R0.74 CCCCCCS[C@H](C)CO 62a_100000210314_100016084084 [0,1,0,0,0,0|1,0,0]=2 3511 B10R0.74 CCCCCCS[C@H](C)CO 62a_100016084084_100000210757 [0,1,0,0,0,0|1,0,0]=2 3512 B10R0.74 CCCCCNCC(C)CC 2230a_100000209983_100000748023 [0,1,0,0,0,0|2,0,0]=3 3513 B10R0.74 CCCCCNCC(C)CC 2230a_100020588543_100000210326 [0,1,0,0,0,0|2,0,0]=3 3514 B10R0.74 CCCCCNCC(C)CC 270004a_100000209983_100000243153 [0,1,0,0,0,0|2,0,0]=3 3515 B10R0.74 CCCCCNCC(C)CO 34a_100000744482_100000718602 [0,1,0,0,0,0|1,0,0]=2 3516 B10R0.74 CCCCCNCC(O)CC 2230a_100000209983_100011218378 [0,1,0,0,0,0|1,0,0]=2 3517 B10R0.74 CCCCCNCC(O)CC 2230a_100011218483_100000210326 [0,1,0,0,0,0|1,0,0]=2 3518 B10R0.74 CCCCCNCC(O)CO 2230a_100000209983_100011219619 [0,1,0,0,0,0|0,0,0]=1 3519 B10R0.74 CCCCCNC[C@@H](C)CC 2230a_100000209983_100009816398 [0,1,0,0,0,0|2,0,0]=3 3520 B10R0.74 CCCCCNC[C@@H](C)CO 2230a_100000209983_100000059175 [0,1,0,0,0,0|1,0,0]=2 3521 B10R0.74 CCCCCNC[C@@H](C)OC 2230a_100020591295_100000210326 [0,1,0,0,0,0|3,0,0]=4 3522 B10R0.74 CCCCCNC[C@@H](F)CO 34a_100015665980_100000718602 [0,1,0,0,0,0|1,0,0]=2 3523 B10R0.74 CCCCCNC[C@@H](O)CF 2230a_100000209983_100015614560 [0,1,0,0,0,0|1,0,0]=2 3524 B10R0.74 CCCCCNC[C@@H](O)CO 2230a_100000209983_100009815848 [0,1,0,0,0,0|0,0,0]=1 3525 B10R0.74 CCCCCNC[C@H](O)CO 2230a_100020644852_100000210326 [0,1,0,0,0,0|0,0,0]=1 3526 B10R0.74 CCCCCNN=C(C)CO 4a_100000694160_100000211253 [0,1,0,0,0,0|2,0,1]=4 3527 B10R0.74 CCCCCNNC(=O)CO 22a_100000694160_100000210174 [0,1,0,0,0,0|1,0,2]=4 3528 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [0,1,0,0,0,0|1,0,2]=4 3529 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [0,1,0,0,0,0|1,0,2]=4 3530 B10R0.74 CCCCCOCC(C)CC 34a_100000210253_100000748023 [0,1,0,0,0,0|2,0,0]=3 3531 B10R0.74 CCCCCOCC(C)CC 7a_100000210253_100000748023 [0,1,0,0,0,0|2,0,0]=3 3532 B10R0.74 CCCCCOCC(C)CN 34a_100000744482_100000718602 [0,1,0,0,0,0|2,0,0]=3 3533 B10R0.74 CCCCCOCC(C)OC 34a_100000690652_100000718602 [0,1,0,0,0,0|3,0,0]=4 3534 B10R0.74 CCCCCOCC(Cl)CCl 34a_100000033668_100000718602 [0,1,0,0,0,0|2,0,0]=3 3535 B10R0.74 CCCCCOCC(O)CC 34a_100000210253_100011218378 [0,1,0,0,0,0|1,0,0]=2 3536 B10R0.74 CCCCCOCC(O)CC 7a_100000210253_100011218378 [0,1,0,0,0,0|1,0,0]=2 3537 B10R0.74 CCCCCOCC(O)CO 34a_100000210253_100011219619 [0,1,0,0,0,0|0,0,0]=1 3538 B10R0.74 CCCCCOCC(O)CO 7a_100000210253_100011219619 [0,1,0,0,0,0|0,0,0]=1 3539 B10R0.74 CCCCCOC[C@@H](C)CC 34a_100000210253_100009816398 [0,1,0,0,0,0|2,0,0]=3 3540 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100000210253_100009816398 [0,1,0,0,0,0|2,0,0]=3 3541 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100009816381_100000210326 [0,1,0,0,0,0|2,0,0]=3 3542 B10R0.74 CCCCCOC[C@@H](C)CO 34a_100000210253_100000059175 [0,1,0,0,0,0|1,0,0]=2 3543 B10R0.74 CCCCCOC[C@@H](C)CO 7a_100000210253_100000059175 [0,1,0,0,0,0|1,0,0]=2 3544 B10R0.74 CCCCCOC[C@@H](O)CF 34a_100000210253_100015614560 [0,1,0,0,0,0|1,0,0]=2 3545 B10R0.74 CCCCCOC[C@@H](O)CF 7a_100000210253_100015614560 [0,1,0,0,0,0|1,0,0]=2 3546 B10R0.74 CCCCCOC[C@@H](O)CO 34a_100000210253_100009815848 [0,1,0,0,0,0|0,0,0]=1 3547 B10R0.74 CCCCCOC[C@@H](O)CO 7a_100000210253_100009815848 [0,1,0,0,0,0|0,0,0]=1 3548 B10R0.74 CCCCCOC[C@H](F)CN 34a_100015665980_100000718602 [0,1,0,0,0,0|2,0,0]=3 3549 B10R0.74 CCCCCSCC(=O)CC 62a_100000210326_100000747405 [0,1,0,0,0,0|1,0,2]=4 3550 B10R0.74 CCCCCSCC(=O)CC 62a_100000747405_100000210326 [0,1,0,0,0,0|1,0,2]=4 3551 B10R0.74 CCCCCSCC(C)CC 62a_100000210326_100000748023 [0,1,0,0,0,0|2,0,0]=3 3552 B10R0.74 CCCCCSCC(C)CC 62a_100000748023_100000210326 [0,1,0,0,0,0|2,0,0]=3 3553 B10R0.74 CCCCCSCC(O)CC 62a_100000210326_100011218378 [0,1,0,0,0,0|1,0,0]=2 3554 B10R0.74 CCCCCSCC(O)CC 62a_100011218378_100000210326 [0,1,0,0,0,0|1,0,0]=2 3555 B10R0.74 CCCCCSCC(O)CO 62a_100000210326_100011219619 [0,1,0,0,0,0|0,0,0]=1 3556 B10R0.74 CCCCCSCC(O)CO 62a_100011219619_100000210326 [0,1,0,0,0,0|0,0,0]=1 3557 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100000210326_100009816398 [0,1,0,0,0,0|2,0,0]=3 3558 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100009816398_100000210326 [0,1,0,0,0,0|2,0,0]=3 3559 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000059175_100000210326 [0,1,0,0,0,0|1,0,0]=2 3560 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000210326_100000059175 [0,1,0,0,0,0|1,0,0]=2 3561 B10R0.74 CCCCCSC[C@@H](O)CF 62a_100000210326_100015614560 [0,1,0,0,0,0|1,0,0]=2 3562 B10R0.74 CCCCCSC[C@@H](O)CF 62a_100015614560_100000210326 [0,1,0,0,0,0|1,0,0]=2 3563 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100000210326_100009815848 [0,1,0,0,0,0|0,0,0]=1 3564 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100009815848_100000210326 [0,1,0,0,0,0|0,0,0]=1 3565 B10R0.74 CCCCNCCC(C)CC 2230a_100020591266_100000210211 [0,1,0,0,0,0|2,0,0]=3 3566 B10R0.74 CCCCNCCC(C)CO 2230a_106354213184_100000210211 [0,1,0,0,0,0|1,0,0]=2 3567 B10R0.74 CCCCNCCC(C)CO 34a_106354213184_100000210210 [0,1,0,0,0,0|1,0,0]=2 3568 B10R0.74 CCCCNN=CC(O)CO 4a_100025702795_100000033539 [0,1,0,0,0,0|1,0,1]=3 3569 B10R0.74 CCCCOCCC(=NO)N 34a_100000749954_100000210210 [0,1,0,0,0,0|2,0,1]=4 3570 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [0,1,0,0,0,0|1,0,2]=4 3571 B10R0.74 CCCCOCCC(=O)CO 1458a_100000210174_100000743108 [0,1,0,0,0,0|0,0,2]=3 3572 B10R0.74 CCCCOCCC(C)CC 7a_100011215188_100000210211 [0,1,0,0,0,0|2,0,0]=3 3573 B10R0.74 CCCCOCCC(C)OC 7a_100000764861_100000210211 [0,1,0,0,0,0|3,0,0]=4 3574 B10R0.74 CCCCOCCN(C)CC 2230a_100000225621_100000743108 [0,1,0,0,0,0|3,0,0]=4 3575 B10R0.74 CCCCOCCN(C)CC 269982a_100000225621_100000743108 [0,1,0,0,0,0|3,0,0]=4 3576 B10R0.74 CCCCOCNC(C)CC 2230a_100000209981_100011995733 [0,1,0,0,0,0|3,0,0]=4 3577 B10R0.74 CCCCOCN[C@H](C)CO 2230a_100000737577_100011995733 [0,1,0,0,0,0|2,0,0]=3 3578 B10R0.74 CCCCOCOC(C)CF 34a_100016041109_100011995733 [0,1,0,0,0,0|3,0,0]=4 3579 B10R0.74 CCCCOCOC(C)CN 34a_100000210904_100011995733 [0,1,0,0,0,0|3,0,0]=4 3580 B10R0.74 CCCCOCSC(C)CC 62a_100000758301_100011995733 [0,1,0,0,0,0|3,0,0]=4 3581 B10R0.74 CCCCOCSC(C)CC 62a_100011995733_100000758301 [0,1,0,0,0,0|3,0,0]=4 3582 B10R0.74 CCCCOCSC(C)CO 62a_100012180447_100011995733 [0,1,0,0,0,0|2,0,0]=3 3583 B10R0.74 CCCCOCS[C@H](C)CO 62a_100011995733_100016084084 [0,1,0,0,0,0|2,0,0]=3 3584 B10R0.74 CCCCOCS[C@H](C)CO 62a_100016084084_100011995733 [0,1,0,0,0,0|2,0,0]=3 3585 B10R0.74 CCCOCCCC(C)CC 7a_100011216074_100000210303 [0,1,0,0,0,0|2,0,0]=3 3586 B10R0.74 CCCOCCC[C@@H](C)CN 34a_100160569302_100000210303 [0,1,0,0,0,0|2,0,0]=3 3587 B10R0.74 CCCOCCNC(=O)CO 240690a_100161115042_100000210174 [0,1,0,0,0,0|1,0,2]=4 3588 B10R0.74 CCCOCCNC(=O)CO 527a_100161115042_100000210174 [0,1,0,0,0,0|1,0,2]=4 3589 B10R0.74 CCCOCCNC(C)CC 2230a_100000209981_100011215938 [0,1,0,0,0,0|3,0,0]=4 3590 B10R0.74 CCCOCCNC(C)CC 2230a_100161115042_100000758301 [0,1,0,0,0,0|3,0,0]=4 3591 B10R0.74 CCCOCCNC(C)CC 34a_100161115042_100011215416 [0,1,0,0,0,0|3,0,0]=4 3592 B10R0.74 CCCOCCNC(C)CO 2230a_100161115042_100012180447 [0,1,0,0,0,0|2,0,0]=3 3593 B10R0.74 CCCOCCNC(C)CO 34a_100161115042_100012180447 [0,1,0,0,0,0|2,0,0]=3 3594 B10R0.74 CCCOCCN[C@H](C)CO 2230a_100000737577_100011215938 [0,1,0,0,0,0|2,0,0]=3 3595 B10R0.74 CCCOCCOC(C)CC 34a_100000752267_100011215416 [0,1,0,0,0,0|3,0,0]=4 3596 B10R0.74 CCCOCCOC(C)CC 7a_100000210228_100011215938 [0,1,0,0,0,0|3,0,0]=4 3597 B10R0.74 CCCOCCOC(C)CC 7a_100000752267_100000758301 [0,1,0,0,0,0|3,0,0]=4 3598 B10R0.74 CCCOCCOC(C)CF 34a_100016041109_100011215938 [0,1,0,0,0,0|3,0,0]=4 3599 B10R0.74 CCCOCCOC(C)CF 7a_100016041109_100011215938 [0,1,0,0,0,0|3,0,0]=4 3600 B10R0.74 CCCOCCOC(C)CN 34a_100000210904_100011215938 [0,1,0,0,0,0|3,0,0]=4 3601 B10R0.74 CCCOCCOC(C)CO 34a_100000752267_100012180447 [0,1,0,0,0,0|2,0,0]=3 3602 B10R0.74 CCCOCCOC(C)CO 7a_100000752267_100012180447 [0,1,0,0,0,0|2,0,0]=3 3603 B10R0.74 CCCOCCSC(C)CC 62a_100000758301_100011215938 [0,1,0,0,0,0|3,0,0]=4 3604 B10R0.74 CCCOCCSC(C)CC 62a_100011215938_100000758301 [0,1,0,0,0,0|3,0,0]=4 3605 B10R0.74 CCCOCCSC(C)CO 62a_100012180447_100011215938 [0,1,0,0,0,0|2,0,0]=3 3606 B10R0.74 CCCOCCS[C@H](C)CO 62a_100011215938_100016084084 [0,1,0,0,0,0|2,0,0]=3 3607 B10R0.74 CCCOCCS[C@H](C)CO 62a_100016084084_100011215938 [0,1,0,0,0,0|2,0,0]=3 3608 B10R0.74 CCCSCCCN(C)CC 62a_100000210303_100015186262 [0,1,0,0,0,0|3,0,0]=4 3609 B10R0.74 CCCSCCNC(=O)CO 240690a_100020603323_100000210174 [0,1,0,0,0,0|1,0,2]=4 3610 B10R0.74 CCCSCCNC(=O)CO 527a_100020603323_100000210174 [0,1,0,0,0,0|1,0,2]=4 3611 B10R0.74 CCCSCCNC(C)CC 2230a_100020603323_100000758301 [0,1,0,0,0,0|3,0,0]=4 3612 B10R0.74 CCCSCCNC(C)CO 2230a_100020603323_100012180447 [0,1,0,0,0,0|2,0,0]=3 3613 B10R0.74 CCCSCCOC(C)CC 34a_200000230433_100011215416 [0,1,0,0,0,0|3,0,0]=4 3614 B10R0.74 CCCSCCOC(C)CC 7a_200000230433_100000758301 [0,1,0,0,0,0|3,0,0]=4 3615 B10R0.74 CCCSCCOC(C)CO 34a_200000230433_100012180447 [0,1,0,0,0,0|2,0,0]=3 3616 B10R0.74 CCCSCCOC(C)CO 7a_200000230433_100012180447 [0,1,0,0,0,0|2,0,0]=3 3617 B10R0.74 CCN(C)CCCCCCF 2230a_100000225621_100015922095 [0,1,0,0,0,0|3,0,0]=4 3618 B10R0.74 CCN(C)CCCCCCF 269982a_100000225621_100015922095 [0,1,0,0,0,0|3,0,0]=4 3619 B10R0.74 CCN(C)CCCCCCO 2230a_100000225621_100000766143 [0,1,0,0,0,0|3,0,0]=4 3620 B10R0.74 CCN(C)CCCCCCO 269982a_100000225621_100000766143 [0,1,0,0,0,0|3,0,0]=4 3621 B10R0.74 CCOCCCNC(=O)CO 240690a_100000210961_100000210174 [0,1,0,0,0,0|1,0,2]=4 3622 B10R0.74 CCOCCCNC(=O)CO 527a_100000210961_100000210174 [0,1,0,0,0,0|1,0,2]=4 3623 B10R0.74 CCOCCCNC(C)CC 2230a_100000209981_100012232248 [0,1,0,0,0,0|3,0,0]=4 3624 B10R0.74 CCOCCCNC(C)CC 2230a_100000210961_100000758301 [0,1,0,0,0,0|3,0,0]=4 3625 B10R0.74 CCOCCCNC(C)CC 34a_100000210961_100011215416 [0,1,0,0,0,0|3,0,0]=4 3626 B10R0.74 CCOCCCNC(C)CO 2230a_100000210961_100012180447 [0,1,0,0,0,0|2,0,0]=3 3627 B10R0.74 CCOCCCNC(C)CO 34a_100000210961_100012180447 [0,1,0,0,0,0|2,0,0]=3 3628 B10R0.74 CCOCCCN[C@H](C)CO 2230a_100000737577_100012232248 [0,1,0,0,0,0|2,0,0]=3 3629 B10R0.74 CCOCCCOC(C)CC 34a_100000757476_100011215416 [0,1,0,0,0,0|3,0,0]=4 3630 B10R0.74 CCOCCCOC(C)CC 7a_100000210228_100012232248 [0,1,0,0,0,0|3,0,0]=4 3631 B10R0.74 CCOCCCOC(C)CC 7a_100000757476_100000758301 [0,1,0,0,0,0|3,0,0]=4 3632 B10R0.74 CCOCCCOC(C)CF 34a_100016041109_100012232248 [0,1,0,0,0,0|3,0,0]=4 3633 B10R0.74 CCOCCCOC(C)CF 7a_100016041109_100012232248 [0,1,0,0,0,0|3,0,0]=4 3634 B10R0.74 CCOCCCOC(C)CN 34a_100000210904_100012232248 [0,1,0,0,0,0|3,0,0]=4 3635 B10R0.74 CCOCCCOC(C)CO 34a_100000757476_100012180447 [0,1,0,0,0,0|2,0,0]=3 3636 B10R0.74 CCOCCCOC(C)CO 7a_100000757476_100012180447 [0,1,0,0,0,0|2,0,0]=3 3637 B10R0.74 CCOCCCSC(C)CC 62a_100000758301_100012232248 [0,1,0,0,0,0|3,0,0]=4 3638 B10R0.74 CCOCCCSC(C)CC 62a_100012232248_100000758301 [0,1,0,0,0,0|3,0,0]=4 3639 B10R0.74 CCOCCCSC(C)CO 62a_100012180447_100012232248 [0,1,0,0,0,0|2,0,0]=3 3640 B10R0.74 CCOCCCS[C@H](C)CO 62a_100012232248_100016084084 [0,1,0,0,0,0|2,0,0]=3 3641 B10R0.74 CCOCCCS[C@H](C)CO 62a_100016084084_100012232248 [0,1,0,0,0,0|2,0,0]=3 3642 B10R0.74 CCOCCNCC(C)CC 2230a_100020588543_100011215890 [0,1,0,0,0,0|3,0,0]=4 3643 B10R0.74 CCOCCNCC(C)CC 2230a_102516460346_100000748023 [0,1,0,0,0,0|3,0,0]=4 3644 B10R0.74 CCOCCNCC(C)CC 270004a_102516460346_100000243153 [0,1,0,0,0,0|3,0,0]=4 3645 B10R0.74 CCOCCNCC(C)CC 34a_102516460346_100000748023 [0,1,0,0,0,0|3,0,0]=4 3646 B10R0.74 CCOCCNCC(C)CO 34a_100000744482_100000210147 [0,1,0,0,0,0|2,0,0]=3 3647 B10R0.74 CCOCCNCC(O)CC 2230a_100011218483_100011215890 [0,1,0,0,0,0|2,0,0]=3 3648 B10R0.74 CCOCCNCC(O)CC 2230a_102516460346_100011218378 [0,1,0,0,0,0|2,0,0]=3 3649 B10R0.74 CCOCCNCC(O)CC 34a_102516460346_100011218378 [0,1,0,0,0,0|2,0,0]=3 3650 B10R0.74 CCOCCNCC(O)CO 2230a_102516460346_100011219619 [0,1,0,0,0,0|1,0,0]=2 3651 B10R0.74 CCOCCNCC(O)CO 34a_102516460346_100011219619 [0,1,0,0,0,0|1,0,0]=2 3652 B10R0.74 CCOCCNC[C@@H](C)CC 2230a_102516460346_100009816398 [0,1,0,0,0,0|3,0,0]=4 3653 B10R0.74 CCOCCNC[C@@H](C)CC 34a_102516460346_100009816398 [0,1,0,0,0,0|3,0,0]=4 3654 B10R0.74 CCOCCNC[C@@H](C)CO 2230a_102516460346_100000059175 [0,1,0,0,0,0|2,0,0]=3 3655 B10R0.74 CCOCCNC[C@@H](C)CO 34a_102516460346_100000059175 [0,1,0,0,0,0|2,0,0]=3 3656 B10R0.74 CCOCCNC[C@@H](F)CO 34a_100015665980_100000210147 [0,1,0,0,0,0|2,0,0]=3 3657 B10R0.74 CCOCCNC[C@@H](O)CF 2230a_102516460346_100015614560 [0,1,0,0,0,0|2,0,0]=3 3658 B10R0.74 CCOCCNC[C@@H](O)CF 34a_102516460346_100015614560 [0,1,0,0,0,0|2,0,0]=3 3659 B10R0.74 CCOCCNC[C@@H](O)CO 2230a_102516460346_100009815848 [0,1,0,0,0,0|1,0,0]=2 3660 B10R0.74 CCOCCNC[C@@H](O)CO 34a_102516460346_100009815848 [0,1,0,0,0,0|1,0,0]=2 3661 B10R0.74 CCOCCNC[C@H](O)CO 2230a_100020644852_100011215890 [0,1,0,0,0,0|1,0,0]=2 3662 B10R0.74 CCOCCOCC(C)CC 34a_100000210136_100000748023 [0,1,0,0,0,0|3,0,0]=4 3663 B10R0.74 CCOCCOCC(C)CC 7a_100000210136_100000748023 [0,1,0,0,0,0|3,0,0]=4 3664 B10R0.74 CCOCCOCC(C)CN 34a_100000744482_100000210147 [0,1,0,0,0,0|3,0,0]=4 3665 B10R0.74 CCOCCOCC(Cl)CCl 34a_100000033668_100000210147 [0,1,0,0,0,0|3,0,0]=4 3666 B10R0.74 CCOCCOCC(O)CC 34a_100000210136_100011218378 [0,1,0,0,0,0|2,0,0]=3 3667 B10R0.74 CCOCCOCC(O)CC 7a_100000210136_100011218378 [0,1,0,0,0,0|2,0,0]=3 3668 B10R0.74 CCOCCOCC(O)CO 34a_100000210136_100011219619 [0,1,0,0,0,0|1,0,0]=2 3669 B10R0.74 CCOCCOCC(O)CO 7a_100000210136_100011219619 [0,1,0,0,0,0|1,0,0]=2 3670 B10R0.74 CCOCCOC[C@@H](C)CC 34a_100000210136_100009816398 [0,1,0,0,0,0|3,0,0]=4 3671 B10R0.74 CCOCCOC[C@@H](C)CC 7a_100000210136_100009816398 [0,1,0,0,0,0|3,0,0]=4 3672 B10R0.74 CCOCCOC[C@@H](C)CC 7a_100009816381_100011215890 [0,1,0,0,0,0|3,0,0]=4 3673 B10R0.74 CCOCCOC[C@@H](C)CO 34a_100000210136_100000059175 [0,1,0,0,0,0|2,0,0]=3 3674 B10R0.74 CCOCCOC[C@@H](C)CO 7a_100000210136_100000059175 [0,1,0,0,0,0|2,0,0]=3 3675 B10R0.74 CCOCCOC[C@@H](O)CF 34a_100000210136_100015614560 [0,1,0,0,0,0|2,0,0]=3 3676 B10R0.74 CCOCCOC[C@@H](O)CF 7a_100000210136_100015614560 [0,1,0,0,0,0|2,0,0]=3 3677 B10R0.74 CCOCCOC[C@@H](O)CO 34a_100000210136_100009815848 [0,1,0,0,0,0|1,0,0]=2 3678 B10R0.74 CCOCCOC[C@@H](O)CO 7a_100000210136_100009815848 [0,1,0,0,0,0|1,0,0]=2 3679 B10R0.74 CCOCCOC[C@H](F)CN 34a_100015665980_100000210147 [0,1,0,0,0,0|3,0,0]=4 3680 B10R0.74 CCOCCSCC(C)CC 62a_100000210147_100000748023 [0,1,0,0,0,0|3,0,0]=4 3681 B10R0.74 CCOCCSCC(C)CC 62a_100000748023_100011215890 [0,1,0,0,0,0|3,0,0]=4 3682 B10R0.74 CCOCCSCC(O)CC 62a_100000210147_100011218378 [0,1,0,0,0,0|2,0,0]=3 3683 B10R0.74 CCOCCSCC(O)CC 62a_100011218378_100011215890 [0,1,0,0,0,0|2,0,0]=3 3684 B10R0.74 CCOCCSCC(O)CO 62a_100000210147_100011219619 [0,1,0,0,0,0|1,0,0]=2 3685 B10R0.74 CCOCCSCC(O)CO 62a_100011219619_100011215890 [0,1,0,0,0,0|1,0,0]=2 3686 B10R0.74 CCOCCSC[C@@H](C)CC 62a_100000210147_100009816398 [0,1,0,0,0,0|3,0,0]=4 3687 B10R0.74 CCOCCSC[C@@H](C)CC 62a_100009816398_100011215890 [0,1,0,0,0,0|3,0,0]=4 3688 B10R0.74 CCOCCSC[C@@H](C)CO 62a_100000059175_100011215890 [0,1,0,0,0,0|2,0,0]=3 3689 B10R0.74 CCOCCSC[C@@H](C)CO 62a_100000210147_100000059175 [0,1,0,0,0,0|2,0,0]=3 3690 B10R0.74 CCOCCSC[C@@H](O)CF 62a_100000210147_100015614560 [0,1,0,0,0,0|2,0,0]=3 3691 B10R0.74 CCOCCSC[C@@H](O)CF 62a_100015614560_100011215890 [0,1,0,0,0,0|2,0,0]=3 3692 B10R0.74 CCOCCSC[C@@H](O)CO 62a_100000210147_100009815848 [0,1,0,0,0,0|1,0,0]=2 3693 B10R0.74 CCOCCSC[C@@H](O)CO 62a_100009815848_100011215890 [0,1,0,0,0,0|1,0,0]=2 3694 B10R0.74 CCSCCCOC(C)CC 34a_100011216438_100011215416 [0,1,0,0,0,0|3,0,0]=4 3695 B10R0.74 CCSCCCOC(C)CC 7a_100011216438_100000758301 [0,1,0,0,0,0|3,0,0]=4 3696 B10R0.74 CCSCCCOC(C)CO 34a_100011216438_100012180447 [0,1,0,0,0,0|2,0,0]=3 3697 B10R0.74 CCSCCCOC(C)CO 7a_100011216438_100012180447 [0,1,0,0,0,0|2,0,0]=3 3698 B10R0.74 CCSCCNCC(C)CC 2230a_100000106463_100000748023 [0,1,0,0,0,0|3,0,0]=4 3699 B10R0.74 CCSCCNCC(C)CC 2230a_100020588543_100000757381 [0,1,0,0,0,0|3,0,0]=4 3700 B10R0.74 CCSCCNCC(C)CC 270004a_100000106463_100000243153 [0,1,0,0,0,0|3,0,0]=4 3701 B10R0.74 CCSCCNCC(C)CO 34a_100000744482_100000757381 [0,1,0,0,0,0|2,0,0]=3 3702 B10R0.74 CCSCCNCC(O)CC 2230a_100000106463_100011218378 [0,1,0,0,0,0|2,0,0]=3 3703 B10R0.74 CCSCCNCC(O)CC 2230a_100011218483_100000757381 [0,1,0,0,0,0|2,0,0]=3 3704 B10R0.74 CCSCCNCC(O)CO 2230a_100000106463_100011219619 [0,1,0,0,0,0|1,0,0]=2 3705 B10R0.74 CCSCCNC[C@@H](C)CC 2230a_100000106463_100009816398 [0,1,0,0,0,0|3,0,0]=4 3706 B10R0.74 CCSCCNC[C@@H](C)CO 2230a_100000106463_100000059175 [0,1,0,0,0,0|2,0,0]=3 3707 B10R0.74 CCSCCNC[C@@H](F)CO 34a_100015665980_100000757381 [0,1,0,0,0,0|2,0,0]=3 3708 B10R0.74 CCSCCNC[C@@H](O)CF 2230a_100000106463_100015614560 [0,1,0,0,0,0|2,0,0]=3 3709 B10R0.74 CCSCCNC[C@@H](O)CO 2230a_100000106463_100009815848 [0,1,0,0,0,0|1,0,0]=2 3710 B10R0.74 CCSCCNC[C@H](O)CO 2230a_100020644852_100000757381 [0,1,0,0,0,0|1,0,0]=2 3711 B10R0.74 CCSCCOCC(C)CC 34a_100000212035_100000748023 [0,1,0,0,0,0|3,0,0]=4 3712 B10R0.74 CCSCCOCC(C)CC 7a_100000212035_100000748023 [0,1,0,0,0,0|3,0,0]=4 3713 B10R0.74 CCSCCOCC(C)CN 34a_100000744482_100000757381 [0,1,0,0,0,0|3,0,0]=4 3714 B10R0.74 CCSCCOCC(Cl)CCl 34a_100000033668_100000757381 [0,1,0,0,0,0|3,0,0]=4 3715 B10R0.74 CCSCCOCC(O)CC 34a_100000212035_100011218378 [0,1,0,0,0,0|2,0,0]=3 3716 B10R0.74 CCSCCOCC(O)CC 7a_100000212035_100011218378 [0,1,0,0,0,0|2,0,0]=3 3717 B10R0.74 CCSCCOCC(O)CO 34a_100000212035_100011219619 [0,1,0,0,0,0|1,0,0]=2 3718 B10R0.74 CCSCCOCC(O)CO 7a_100000212035_100011219619 [0,1,0,0,0,0|1,0,0]=2 3719 B10R0.74 CCSCCOC[C@@H](C)CC 34a_100000212035_100009816398 [0,1,0,0,0,0|3,0,0]=4 3720 B10R0.74 CCSCCOC[C@@H](C)CC 7a_100000212035_100009816398 [0,1,0,0,0,0|3,0,0]=4 3721 B10R0.74 CCSCCOC[C@@H](C)CC 7a_100009816381_100000757381 [0,1,0,0,0,0|3,0,0]=4 3722 B10R0.74 CCSCCOC[C@@H](C)CO 34a_100000212035_100000059175 [0,1,0,0,0,0|2,0,0]=3 3723 B10R0.74 CCSCCOC[C@@H](C)CO 7a_100000212035_100000059175 [0,1,0,0,0,0|2,0,0]=3 3724 B10R0.74 CCSCCOC[C@@H](O)CF 34a_100000212035_100015614560 [0,1,0,0,0,0|2,0,0]=3 3725 B10R0.74 CCSCCOC[C@@H](O)CF 7a_100000212035_100015614560 [0,1,0,0,0,0|2,0,0]=3 3726 B10R0.74 CCSCCOC[C@@H](O)CO 34a_100000212035_100009815848 [0,1,0,0,0,0|1,0,0]=2 3727 B10R0.74 CCSCCOC[C@@H](O)CO 7a_100000212035_100009815848 [0,1,0,0,0,0|1,0,0]=2 3728 B10R0.74 CCSCCOC[C@H](F)CN 34a_100015665980_100000757381 [0,1,0,0,0,0|3,0,0]=4 3729 B10R0.74 CCSCCSCC(C)CC 62a_100000748023_100000757381 [0,1,0,0,0,0|3,0,0]=4 3730 B10R0.74 CCSCCSCC(C)CC 62a_100000757381_100000748023 [0,1,0,0,0,0|3,0,0]=4 3731 B10R0.74 CCSCCSCC(O)CC 62a_100000757381_100011218378 [0,1,0,0,0,0|2,0,0]=3 3732 B10R0.74 CCSCCSCC(O)CC 62a_100011218378_100000757381 [0,1,0,0,0,0|2,0,0]=3 3733 B10R0.74 CCSCCSCC(O)CO 62a_100000757381_100011219619 [0,1,0,0,0,0|1,0,0]=2 3734 B10R0.74 CCSCCSCC(O)CO 62a_100011219619_100000757381 [0,1,0,0,0,0|1,0,0]=2 3735 B10R0.74 CCSCCSC[C@@H](C)CC 62a_100000757381_100009816398 [0,1,0,0,0,0|3,0,0]=4 3736 B10R0.74 CCSCCSC[C@@H](C)CC 62a_100009816398_100000757381 [0,1,0,0,0,0|3,0,0]=4 3737 B10R0.74 CCSCCSC[C@@H](C)CO 62a_100000059175_100000757381 [0,1,0,0,0,0|2,0,0]=3 3738 B10R0.74 CCSCCSC[C@@H](C)CO 62a_100000757381_100000059175 [0,1,0,0,0,0|2,0,0]=3 3739 B10R0.74 CCSCCSC[C@@H](O)CF 62a_100000757381_100015614560 [0,1,0,0,0,0|2,0,0]=3 3740 B10R0.74 CCSCCSC[C@@H](O)CF 62a_100015614560_100000757381 [0,1,0,0,0,0|2,0,0]=3 3741 B10R0.74 CCSCCSC[C@@H](O)CO 62a_100000757381_100009815848 [0,1,0,0,0,0|1,0,0]=2 3742 B10R0.74 CCSCCSC[C@@H](O)CO 62a_100009815848_100000757381 [0,1,0,0,0,0|1,0,0]=2 3743 B10R0.74 CC[C@H](C)CNCCCCO 2230a_100000750430_100009816398 [0,1,0,0,0,0|3,0,0]=4 3744 B10R0.74 CC[C@H](C)CNCCCCO 34a_100000750430_100009816398 [0,1,0,0,0,0|3,0,0]=4 3745 B10R0.74 CC[C@H](C)CNCCCOC 34a_100150723488_100009816398 [0,1,0,0,0,0|3,0,0]=4 3746 B10R0.74 CC[C@H](C)CNCCCSC 2230a_100000749238_100009816398 [0,1,0,0,0,0|3,0,0]=4 3747 B10R0.74 CC[C@H](C)COCCCCBr 34a_100011216708_100009816398 [0,1,0,0,0,0|3,0,0]=4 3748 B10R0.74 CC[C@H](C)COCCCCCl 34a_100000210776_100009816398 [0,1,0,0,0,0|3,0,0]=4 3749 B10R0.74 CC[C@H](C)COCCCCCl 7a_100000210776_100009816398 [0,1,0,0,0,0|3,0,0]=4 3750 B10R0.74 CC[C@H](C)COCCCCF 34a_100011995726_100009816398 [0,1,0,0,0,0|3,0,0]=4 3751 B10R0.74 CC[C@H](C)COCCCCF 7a_100009816381_100000729493 [0,1,0,0,0,0|3,0,0]=4 3752 B10R0.74 CC[C@H](C)COCCCCF 7a_100011995726_100009816398 [0,1,0,0,0,0|3,0,0]=4 3753 B10R0.74 CC[C@H](C)COCCCCI 34a_200012148704_100009816398 [0,1,0,0,0,0|3,0,0]=4 3754 B10R0.74 CC[C@H](C)COCCCCN 34a_100000750430_100009816398 [0,1,0,0,0,0|3,0,0]=4 3755 B10R0.74 CC[C@H](C)COCCCCO 7a_100009816381_100000210776 [0,1,0,0,0,0|3,0,0]=4 3756 B10R0.74 CC[C@H](C)COCCCNC 34a_100000213112_100009816398 [0,1,0,0,0,0|3,0,0]=4 3757 B10R0.74 CC[C@H](C)COCCCOC 34a_100000740835_100009816398 [0,1,0,0,0,0|3,0,0]=4 3758 B10R0.74 CC[C@H](C)COCCCOC 7a_100009816381_100000740836 [0,1,0,0,0,0|3,0,0]=4 3759 B10R0.74 CC[C@H](C)COCCCSC 34a_100000690336_100009816398 [0,1,0,0,0,0|3,0,0]=4 3760 B10R0.74 CC[C@H](C)COCCCSC 7a_100000690336_100009816398 [0,1,0,0,0,0|3,0,0]=4 3761 B10R0.74 CC[C@H](C)CSCCCCF 62a_100000729493_100009816398 [0,1,0,0,0,0|3,0,0]=4 3762 B10R0.74 CC[C@H](C)CSCCCCF 62a_100009816398_100000729493 [0,1,0,0,0,0|3,0,0]=4 3763 B10R0.74 CC[C@H](C)CSCCCCO 62a_100000210776_100009816398 [0,1,0,0,0,0|3,0,0]=4 3764 B10R0.74 CC[C@H](C)CSCCCCO 62a_100009816398_100000210776 [0,1,0,0,0,0|3,0,0]=4 3765 B10R0.74 CC[C@H](C)CSCCCOC 62a_100000709357_100009816398 [0,1,0,0,0,0|3,0,0]=4 3766 B10R0.74 CC[C@H](C)CSCCCOC 62a_100009816398_100000709357 [0,1,0,0,0,0|3,0,0]=4 3767 B10R0.74 CNCCCOCC(O)CO 34a_100000213112_100011219619 [0,1,0,0,0,0|1,0,0]=2 3768 B10R0.74 CNCCCOC[C@@H](C)CO 34a_100000213112_100000059175 [0,1,0,0,0,0|2,0,0]=3 3769 B10R0.74 CNCCCOC[C@@H](O)CF 34a_100000213112_100015614560 [0,1,0,0,0,0|2,0,0]=3 3770 B10R0.74 CNCCCOC[C@@H](O)CO 34a_100000213112_100009815848 [0,1,0,0,0,0|1,0,0]=2 3771 B10R0.74 COCCCCCC(=O)CF 1458a_100011935119_100015361967 [0,1,0,0,0,0|1,0,2]=4 3772 B10R0.74 COCCCCN[C@H](C)CO 2230a_100000737577_100000730899 [0,1,0,0,0,0|2,0,0]=3 3773 B10R0.74 COCCCCOC(C)CF 34a_100016041109_100000755781 [0,1,0,0,0,0|3,0,0]=4 3774 B10R0.74 COCCCCOC(C)CF 7a_100016041109_100000730899 [0,1,0,0,0,0|3,0,0]=4 3775 B10R0.74 COCCCCOC(C)CN 34a_100000210904_100000755781 [0,1,0,0,0,0|3,0,0]=4 3776 B10R0.74 COCCCCOC(C)CO 34a_100000740925_100012180447 [0,1,0,0,0,0|2,0,0]=3 3777 B10R0.74 COCCCCSC(C)CO 62a_100012180447_100000730899 [0,1,0,0,0,0|2,0,0]=3 3778 B10R0.74 COCCCCS[C@H](C)CO 62a_100000730899_100016084084 [0,1,0,0,0,0|2,0,0]=3 3779 B10R0.74 COCCCCS[C@H](C)CO 62a_100016084084_100000730899 [0,1,0,0,0,0|2,0,0]=3 3780 B10R0.74 COCCCNCC(C)CO 34a_100000744482_100000740836 [0,1,0,0,0,0|2,0,0]=3 3781 B10R0.74 COCCCNCC(O)CO 34a_100150723488_100011219619 [0,1,0,0,0,0|1,0,0]=2 3782 B10R0.74 COCCCNC[C@@H](C)CO 34a_100150723488_100000059175 [0,1,0,0,0,0|2,0,0]=3 3783 B10R0.74 COCCCNC[C@@H](F)CO 34a_100015665980_100000740836 [0,1,0,0,0,0|2,0,0]=3 3784 B10R0.74 COCCCNC[C@@H](O)CF 34a_100150723488_100015614560 [0,1,0,0,0,0|2,0,0]=3 3785 B10R0.74 COCCCNC[C@@H](O)CO 34a_100150723488_100009815848 [0,1,0,0,0,0|1,0,0]=2 3786 B10R0.74 COCCCNC[C@H](O)CO 2230a_100020644852_100000740836 [0,1,0,0,0,0|1,0,0]=2 3787 B10R0.74 COCCCOCC(C)CN 34a_100000744482_100000740836 [0,1,0,0,0,0|3,0,0]=4 3788 B10R0.74 COCCCOCC(Cl)CCl 34a_100000033668_100000740836 [0,1,0,0,0,0|3,0,0]=4 3789 B10R0.74 COCCCOCC(O)CO 34a_100000740835_100011219619 [0,1,0,0,0,0|1,0,0]=2 3790 B10R0.74 COCCCOC[C@@H](C)CO 34a_100000740835_100000059175 [0,1,0,0,0,0|2,0,0]=3 3791 B10R0.74 COCCCOC[C@@H](O)CF 34a_100000740835_100015614560 [0,1,0,0,0,0|2,0,0]=3 3792 B10R0.74 COCCCOC[C@@H](O)CO 34a_100000740835_100009815848 [0,1,0,0,0,0|1,0,0]=2 3793 B10R0.74 COCCCOC[C@H](F)CN 34a_100015665980_100000740836 [0,1,0,0,0,0|3,0,0]=4 3794 B10R0.74 COCCCSCC(O)CO 62a_100000709357_100011219619 [0,1,0,0,0,0|1,0,0]=2 3795 B10R0.74 COCCCSCC(O)CO 62a_100011219619_100000709357 [0,1,0,0,0,0|1,0,0]=2 3796 B10R0.74 COCCCSC[C@@H](C)CO 62a_100000059175_100000709357 [0,1,0,0,0,0|2,0,0]=3 3797 B10R0.74 COCCCSC[C@@H](C)CO 62a_100000709357_100000059175 [0,1,0,0,0,0|2,0,0]=3 3798 B10R0.74 COCCCSC[C@@H](O)CF 62a_100000709357_100015614560 [0,1,0,0,0,0|2,0,0]=3 3799 B10R0.74 COCCCSC[C@@H](O)CF 62a_100015614560_100000709357 [0,1,0,0,0,0|2,0,0]=3 3800 B10R0.74 COCCCSC[C@@H](O)CO 62a_100000709357_100009815848 [0,1,0,0,0,0|1,0,0]=2 3801 B10R0.74 COCCCSC[C@@H](O)CO 62a_100009815848_100000709357 [0,1,0,0,0,0|1,0,0]=2 3802 B10R0.74 COCCNCCC(C)CO 2230a_106354213184_100011201679 [0,1,0,0,0,0|2,0,0]=3 3803 B10R0.74 COCCNCCC(C)CO 34a_106354213184_100011201679 [0,1,0,0,0,0|2,0,0]=3 3804 B10R0.74 COCCOCCC(=O)CO 1458a_100000210174_100000695917 [0,1,0,0,0,0|1,0,2]=4 3805 B10R0.74 COCCOCN[C@H](C)CO 2230a_100000737577_100000231047 [0,1,0,0,0,0|3,0,0]=4 3806 B10R0.74 COCCOCSC(C)CO 62a_100012180447_100000231047 [0,1,0,0,0,0|3,0,0]=4 3807 B10R0.74 COCCOCS[C@H](C)CO 62a_100000231047_100016084084 [0,1,0,0,0,0|3,0,0]=4 3808 B10R0.74 COCCOCS[C@H](C)CO 62a_100016084084_100000231047 [0,1,0,0,0,0|3,0,0]=4 3809 B10R0.74 CSCCCCOC(C)CO 34a_100011217163_100012180447 [0,1,0,0,0,0|2,0,0]=3 3810 B10R0.74 CSCCCCOC(C)CO 7a_100011217163_100012180447 [0,1,0,0,0,0|2,0,0]=3 3811 B10R0.74 CSCCCNCC(O)CO 2230a_100000749238_100011219619 [0,1,0,0,0,0|1,0,0]=2 3812 B10R0.74 CSCCCNC[C@@H](C)CO 2230a_100000749238_100000059175 [0,1,0,0,0,0|2,0,0]=3 3813 B10R0.74 CSCCCNC[C@@H](O)CF 2230a_100000749238_100015614560 [0,1,0,0,0,0|2,0,0]=3 3814 B10R0.74 CSCCCNC[C@@H](O)CO 2230a_100000749238_100009815848 [0,1,0,0,0,0|1,0,0]=2 3815 B10R0.74 CSCCCOCC(O)CO 34a_100000690336_100011219619 [0,1,0,0,0,0|1,0,0]=2 3816 B10R0.74 CSCCCOCC(O)CO 7a_100000690336_100011219619 [0,1,0,0,0,0|1,0,0]=2 3817 B10R0.74 CSCCCOC[C@@H](C)CO 34a_100000690336_100000059175 [0,1,0,0,0,0|2,0,0]=3 3818 B10R0.74 CSCCCOC[C@@H](C)CO 7a_100000690336_100000059175 [0,1,0,0,0,0|2,0,0]=3 3819 B10R0.74 CSCCCOC[C@@H](O)CF 34a_100000690336_100015614560 [0,1,0,0,0,0|2,0,0]=3 3820 B10R0.74 CSCCCOC[C@@H](O)CF 7a_100000690336_100015614560 [0,1,0,0,0,0|2,0,0]=3 3821 B10R0.74 CSCCCOC[C@@H](O)CO 34a_100000690336_100009815848 [0,1,0,0,0,0|1,0,0]=2 3822 B10R0.74 CSCCCOC[C@@H](O)CO 7a_100000690336_100009815848 [0,1,0,0,0,0|1,0,0]=2 3823 B10R0.74 CSCCNCCC(C)CO 2230a_106354213184_100000751147 [0,1,0,0,0,0|2,0,0]=3 3824 B10R0.74 CSCCNCCC(C)CO 34a_106354213184_100000212216 [0,1,0,0,0,0|2,0,0]=3 3825 B10R0.74 CSCOCCC[C@@H](C)CN 34a_100160569302_100011218213 [0,1,0,0,0,0|3,0,0]=4 3826 B10R0.74 C[C@@H](CN)CCCOCCF 34a_100160569302_100011217306 [0,1,0,0,0,0|3,0,0]=4 3827 B10R0.74 C[C@@H](CN)CCCOCCO 34a_100160569302_100000211926 [0,1,0,0,0,0|3,0,0]=4 3828 B10R0.74 C[C@@H](CO)CNCCCCO 2230a_100000750430_100000059175 [0,1,0,0,0,0|2,0,0]=3 3829 B10R0.74 C[C@@H](CO)CNCCCCO 34a_100000750430_100000059175 [0,1,0,0,0,0|2,0,0]=3 3830 B10R0.74 C[C@@H](CO)COCCCCBr 34a_100011216708_100000059175 [0,1,0,0,0,0|2,0,0]=3 3831 B10R0.74 C[C@@H](CO)COCCCCCl 34a_100000210776_100000059175 [0,1,0,0,0,0|2,0,0]=3 3832 B10R0.74 C[C@@H](CO)COCCCCCl 7a_100000210776_100000059175 [0,1,0,0,0,0|2,0,0]=3 3833 B10R0.74 C[C@@H](CO)COCCCCF 34a_100011995726_100000059175 [0,1,0,0,0,0|2,0,0]=3 3834 B10R0.74 C[C@@H](CO)COCCCCF 7a_100011995726_100000059175 [0,1,0,0,0,0|2,0,0]=3 3835 B10R0.74 C[C@@H](CO)COCCCCI 34a_200012148704_100000059175 [0,1,0,0,0,0|2,0,0]=3 3836 B10R0.74 C[C@@H](CO)COCCCCN 34a_100000750430_100000059175 [0,1,0,0,0,0|2,0,0]=3 3837 B10R0.74 C[C@@H](CO)CSCCCC#N 62a_100000059175_100000687738 [0,1,0,0,0,0|2,0,1]=4 3838 B10R0.74 C[C@@H](CO)CSCCCC#N 62a_100000687738_100000059175 [0,1,0,0,0,0|2,0,1]=4 3839 B10R0.74 C[C@@H](CO)CSCCCC=O 62a_100000059175_200011292268 [0,1,0,0,0,0|2,0,1]=4 3840 B10R0.74 C[C@@H](CO)CSCCCC=O 62a_200011292268_100000059175 [0,1,0,0,0,0|2,0,1]=4 3841 B10R0.74 C[C@@H](CO)CSCCCCF 62a_100000059175_100000729493 [0,1,0,0,0,0|2,0,0]=3 3842 B10R0.74 C[C@@H](CO)CSCCCCF 62a_100000729493_100000059175 [0,1,0,0,0,0|2,0,0]=3 3843 B10R0.74 C[C@@H](CO)CSCCCCO 62a_100000059175_100000210776 [0,1,0,0,0,0|2,0,0]=3 3844 B10R0.74 C[C@@H](CO)CSCCCCO 62a_100000210776_100000059175 [0,1,0,0,0,0|2,0,0]=3 3845 B10R0.74 C[C@H](CO)NCCCCC#N 2230a_100000737577_100000211819 [0,1,0,0,0,0|2,0,1]=4 3846 B10R0.74 C[C@H](CO)NCCCCC=O 2230a_100000737577_100000139335 [0,1,0,0,0,0|2,0,1]=4 3847 B10R0.74 C[C@H](CO)NCCCCCF 2230a_100000737577_100000729378 [0,1,0,0,0,0|2,0,0]=3 3848 B10R0.74 C[C@H](CO)NCCCCCO 2230a_100000737577_100000746330 [0,1,0,0,0,0|2,0,0]=3 3849 B10R0.74 C[C@H](CO)NCCOCCO 2230a_100000737577_100011215305 [0,1,0,0,0,0|3,0,0]=4 3850 B10R0.74 C[C@H](CO)SCCCCC#N 62a_100011219923_100016084084 [0,1,0,0,0,0|2,0,1]=4 3851 B10R0.74 C[C@H](CO)SCCCCC#N 62a_100016084084_100000211819 [0,1,0,0,0,0|2,0,1]=4 3852 B10R0.74 C[C@H](CO)SCCCCC=O 62a_100000139335_100016084084 [0,1,0,0,0,0|2,0,1]=4 3853 B10R0.74 C[C@H](CO)SCCCCC=O 62a_100016084084_100000139335 [0,1,0,0,0,0|2,0,1]=4 3854 B10R0.74 C[C@H](CO)SCCCCCF 62a_100000729378_100016084084 [0,1,0,0,0,0|2,0,0]=3 3855 B10R0.74 C[C@H](CO)SCCCCCF 62a_100016084084_100000729378 [0,1,0,0,0,0|2,0,0]=3 3856 B10R0.74 C[C@H](CO)SCCCCCO 62a_100000746330_100016084084 [0,1,0,0,0,0|2,0,0]=3 3857 B10R0.74 C[C@H](CO)SCCCCCO 62a_100016084084_100000746330 [0,1,0,0,0,0|2,0,0]=3 3858 B10R0.74 C[C@H](CO)SCCOCCO 62a_100011215305_100016084084 [0,1,0,0,0,0|3,0,0]=4 3859 B10R0.74 C[C@H](CO)SCCOCCO 62a_100016084084_100011215305 [0,1,0,0,0,0|3,0,0]=4 3860 B10R0.74 FCCCCOCC(Cl)CCl 34a_100000033668_100000729493 [0,1,0,0,0,0|3,0,0]=4 3861 B10R0.74 N#CCCCCCC(=O)CO 1458a_100000210174_100009813376 [0,1,0,0,0,0|0,0,3]=4 3862 B10R0.74 N#CCCCNC[C@H](O)CO 2230a_100020644852_100000687738 [0,1,0,0,0,0|1,0,1]=3 3863 B10R0.74 N#CCCCSCC(O)CO 62a_100000687738_100011219619 [0,1,0,0,0,0|1,0,1]=3 3864 B10R0.74 N#CCCCSCC(O)CO 62a_100011219619_100000687738 [0,1,0,0,0,0|1,0,1]=3 3865 B10R0.74 N#CCCCSC[C@@H](O)CF 62a_100000687738_100015614560 [0,1,0,0,0,0|2,0,1]=4 3866 B10R0.74 N#CCCCSC[C@@H](O)CF 62a_100015614560_100000687738 [0,1,0,0,0,0|2,0,1]=4 3867 B10R0.74 N#CCCCSC[C@@H](O)CO 62a_100000687738_100009815848 [0,1,0,0,0,0|1,0,1]=3 3868 B10R0.74 N#CCCCSC[C@@H](O)CO 62a_100009815848_100000687738 [0,1,0,0,0,0|1,0,1]=3 3869 B10R0.74 N#CSCCSCC(O)CO 62a_100000034367_100011219619 [0,1,0,0,0,0|2,0,1]=4 3870 B10R0.74 N#CSCCSCC(O)CO 62a_100011219619_100000034367 [0,1,0,0,0,0|2,0,1]=4 3871 B10R0.74 N#CSCCSC[C@@H](O)CO 62a_100000034367_100009815848 [0,1,0,0,0,0|2,0,1]=4 3872 B10R0.74 N#CSCCSC[C@@H](O)CO 62a_100009815848_100000034367 [0,1,0,0,0,0|2,0,1]=4 3873 B10R0.74 NCCCCOCC(O)CO 34a_100000750430_100011219619 [0,1,0,0,0,0|1,0,0]=2 3874 B10R0.74 NCCCCOC[C@@H](O)CF 34a_100000750430_100015614560 [0,1,0,0,0,0|2,0,0]=3 3875 B10R0.74 NCCCCOC[C@@H](O)CO 34a_100000750430_100009815848 [0,1,0,0,0,0|1,0,0]=2 3876 B10R0.74 NC[C@@H](F)COCCCCF 34a_100015665980_100000729493 [0,1,0,0,0,0|3,0,0]=4 3877 B10R0.74 NC[C@@H](F)COCCCCO 34a_100015665980_100011216708 [0,1,0,0,0,0|3,0,0]=4 3878 B10R0.74 O=C(CF)CCCCCCO 1458a_100011996774_100015361967 [0,1,0,0,0,0|1,0,2]=4 3879 B10R0.74 O=C(CO)CCCCCCF 1458a_100000210174_100015922095 [0,1,0,0,0,0|0,0,2]=3 3880 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [0,1,0,0,0,0|0,0,2]=3 3881 B10R0.74 O=C(CO)NCCCCCO 240690a_100000762737_100000210174 [0,1,0,0,0,0|1,0,2]=4 3882 B10R0.74 O=CCCCNC[C@H](O)CO 2230a_100020644852_200011292268 [0,1,0,0,0,0|1,0,1]=3 3883 B10R0.74 O=CCCCSCC(O)CO 62a_100011219619_200011292268 [0,1,0,0,0,0|1,0,1]=3 3884 B10R0.74 O=CCCCSCC(O)CO 62a_200011292268_100011219619 [0,1,0,0,0,0|1,0,1]=3 3885 B10R0.74 O=CCCCSC[C@@H](O)CF 62a_100015614560_200011292268 [0,1,0,0,0,0|2,0,1]=4 3886 B10R0.74 O=CCCCSC[C@@H](O)CF 62a_200011292268_100015614560 [0,1,0,0,0,0|2,0,1]=4 3887 B10R0.74 O=CCCCSC[C@@H](O)CO 62a_100009815848_200011292268 [0,1,0,0,0,0|1,0,1]=3 3888 B10R0.74 O=CCCCSC[C@@H](O)CO 62a_200011292268_100009815848 [0,1,0,0,0,0|1,0,1]=3 3889 B10R0.74 OCC#CCNC[C@H](O)CO 2230a_100020644852_200000047223 [0,1,0,0,0,0|1,0,2]=4 3890 B10R0.74 OCC#CCSCC(O)CO 62a_100011219619_200000047223 [0,1,0,0,0,0|1,0,2]=4 3891 B10R0.74 OCC#CCSCC(O)CO 62a_200000047223_100011219619 [0,1,0,0,0,0|1,0,2]=4 3892 B10R0.74 OCC#CCSC[C@@H](O)CO 62a_100009815848_200000047223 [0,1,0,0,0,0|1,0,2]=4 3893 B10R0.74 OCC#CCSC[C@@H](O)CO 62a_200000047223_100009815848 [0,1,0,0,0,0|1,0,2]=4 3894 B10R0.74 OCC(O)COCC#CCCl 34a_200000047223_100011219619 [0,1,0,0,0,0|1,0,2]=4 3895 B10R0.74 OCC(O)COCCCCBr 34a_100011216708_100011219619 [0,1,0,0,0,0|1,0,0]=2 3896 B10R0.74 OCC(O)COCCCCCl 34a_100000210776_100011219619 [0,1,0,0,0,0|1,0,0]=2 3897 B10R0.74 OCC(O)COCCCCCl 7a_100000210776_100011219619 [0,1,0,0,0,0|1,0,0]=2 3898 B10R0.74 OCC(O)COCCCCF 34a_100011995726_100011219619 [0,1,0,0,0,0|1,0,0]=2 3899 B10R0.74 OCC(O)COCCCCF 7a_100011995726_100011219619 [0,1,0,0,0,0|1,0,0]=2 3900 B10R0.74 OCC(O)COCCCCI 34a_200012148704_100011219619 [0,1,0,0,0,0|1,0,0]=2 3901 B10R0.74 OCC(O)CSCCCCF 62a_100000729493_100011219619 [0,1,0,0,0,0|1,0,0]=2 3902 B10R0.74 OCC(O)CSCCCCF 62a_100011219619_100000729493 [0,1,0,0,0,0|1,0,0]=2 3903 B10R0.74 OCCCCNCC(O)CO 2230a_100000750430_100011219619 [0,1,0,0,0,0|1,0,0]=2 3904 B10R0.74 OCCCCNCC(O)CO 34a_100000750430_100011219619 [0,1,0,0,0,0|1,0,0]=2 3905 B10R0.74 OCCCCNC[C@@H](F)CO 34a_100015665980_100011216708 [0,1,0,0,0,0|2,0,0]=3 3906 B10R0.74 OCCCCNC[C@@H](O)CF 2230a_100000750430_100015614560 [0,1,0,0,0,0|2,0,0]=3 3907 B10R0.74 OCCCCNC[C@@H](O)CF 34a_100000750430_100015614560 [0,1,0,0,0,0|2,0,0]=3 3908 B10R0.74 OCCCCNC[C@@H](O)CO 2230a_100000750430_100009815848 [0,1,0,0,0,0|1,0,0]=2 3909 B10R0.74 OCCCCNC[C@@H](O)CO 34a_100000750430_100009815848 [0,1,0,0,0,0|1,0,0]=2 3910 B10R0.74 OCCCCNC[C@H](O)CO 2230a_100020644852_100000210776 [0,1,0,0,0,0|1,0,0]=2 3911 B10R0.74 OCCCCOCC(Cl)CCl 34a_100000033668_100011216708 [0,1,0,0,0,0|3,0,0]=4 3912 B10R0.74 OCCCCSCC(O)CO 62a_100000210776_100011219619 [0,1,0,0,0,0|1,0,0]=2 3913 B10R0.74 OCCCCSCC(O)CO 62a_100011219619_100000210776 [0,1,0,0,0,0|1,0,0]=2 3914 B10R0.74 OCCCCSC[C@@H](O)CF 62a_100000210776_100015614560 [0,1,0,0,0,0|2,0,0]=3 3915 B10R0.74 OCCCCSC[C@@H](O)CF 62a_100015614560_100000210776 [0,1,0,0,0,0|2,0,0]=3 3916 B10R0.74 OCCCCSC[C@@H](O)CO 62a_100000210776_100009815848 [0,1,0,0,0,0|1,0,0]=2 3917 B10R0.74 OCCCCSC[C@@H](O)CO 62a_100009815848_100000210776 [0,1,0,0,0,0|1,0,0]=2 3918 B10R0.74 OC[C@@H](O)CNCCCCF 2230a_100020644852_100000729493 [0,1,0,0,0,0|1,0,0]=2 3919 B10R0.74 OC[C@H](F)CNCCCCF 34a_100015665980_100000729493 [0,1,0,0,0,0|2,0,0]=3 3920 B10R0.74 OC[C@H](O)COCC#CCCl 34a_200000047223_100009815848 [0,1,0,0,0,0|1,0,2]=4 3921 B10R0.74 OC[C@H](O)COCCCCBr 34a_100011216708_100009815848 [0,1,0,0,0,0|1,0,0]=2 3922 B10R0.74 OC[C@H](O)COCCCCCl 34a_100000210776_100009815848 [0,1,0,0,0,0|1,0,0]=2 3923 B10R0.74 OC[C@H](O)COCCCCCl 7a_100000210776_100009815848 [0,1,0,0,0,0|1,0,0]=2 3924 B10R0.74 OC[C@H](O)COCCCCF 34a_100011995726_100009815848 [0,1,0,0,0,0|1,0,0]=2 3925 B10R0.74 OC[C@H](O)COCCCCF 7a_100011995726_100009815848 [0,1,0,0,0,0|1,0,0]=2 3926 B10R0.74 OC[C@H](O)COCCCCI 34a_200012148704_100009815848 [0,1,0,0,0,0|1,0,0]=2 3927 B10R0.74 OC[C@H](O)CSCCCCF 62a_100000729493_100009815848 [0,1,0,0,0,0|1,0,0]=2 3928 B10R0.74 OC[C@H](O)CSCCCCF 62a_100009815848_100000729493 [0,1,0,0,0,0|1,0,0]=2 3929 B10R0.74 O[C@@H](CF)COCCCCBr 34a_100011216708_100015614560 [0,1,0,0,0,0|2,0,0]=3 3930 B10R0.74 O[C@@H](CF)COCCCCCl 34a_100000210776_100015614560 [0,1,0,0,0,0|2,0,0]=3 3931 B10R0.74 O[C@@H](CF)COCCCCCl 7a_100000210776_100015614560 [0,1,0,0,0,0|2,0,0]=3 3932 B10R0.74 O[C@@H](CF)COCCCCF 34a_100011995726_100015614560 [0,1,0,0,0,0|2,0,0]=3 3933 B10R0.74 O[C@@H](CF)COCCCCF 7a_100011995726_100015614560 [0,1,0,0,0,0|2,0,0]=3 3934 B10R0.74 O[C@@H](CF)COCCCCI 34a_200012148704_100015614560 [0,1,0,0,0,0|2,0,0]=3 3935 B10R0.74 O[C@@H](CF)CSCCCCF 62a_100000729493_100015614560 [0,1,0,0,0,0|2,0,0]=3 3936 B10R0.74 O[C@@H](CF)CSCCCCF 62a_100015614560_100000729493 [0,1,0,0,0,0|2,0,0]=3 3937 B10R0.75 CC(C)C(O)CNCCCF 2230a_100000759067_100011934791 [0,1,0,0,0,0|3,0,0]=4 3938 B10R0.75 CC(C)C(O)CNCCCF 34a_100000759067_100011934791 [0,1,0,0,0,0|3,0,0]=4 3939 B10R0.75 CC(C)C(O)CNCCCO 2230a_100000759067_100000230001 [0,1,0,0,0,0|3,0,0]=4 3940 B10R0.75 CC(C)C(O)CNCCCO 34a_100000759067_100000230001 [0,1,0,0,0,0|3,0,0]=4 3941 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100000210198_100000210757 [0,1,0,0,0,0|1,0,2]=4 3942 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100102632555_100000210206 [0,1,0,0,0,0|1,0,2]=4 3943 B10R0.75 CCCCCCC(=O)C(C)F 1458a_100000062450_100000210757 [0,1,0,0,0,0|1,0,2]=4 3944 B10R0.75 CCCCCCC(=O)C(O)O 1458a_100000233687_100000210757 [0,1,0,0,0,0|0,0,2]=3 3945 B10R0.75 CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210757 [0,1,0,0,0,0|0,0,2]=3 3946 B10R0.75 CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210757 [0,1,0,0,0,0|0,0,2]=3 3947 B10R0.75 CCCCCCC(C)C(=O)C 1458a_100000070787_100011215978 [0,1,0,0,0,0|1,0,2]=4 3948 B10R0.75 CCCCCCC(C)N(C)C 2230a_100102631434_100011215978 [0,1,0,0,0,0|3,0,0]=4 3949 B10R0.75 CCCCCCC(C)N(C)C 269982a_100102631434_100011215978 [0,1,0,0,0,0|3,0,0]=4 3950 B10R0.75 CCCCCCC(C)N(C)C 270004a_100102631434_100000210826 [0,1,0,0,0,0|3,0,0]=4 3951 B10R0.75 CCCCCCC(O)C(=O)C 1458a_100011215828_200000210301 [0,1,0,0,0,0|0,0,2]=3 3952 B10R0.75 CCCCCCC(O)C(=O)[13CH3] 1458a_100011215828_200025704644 [0,1,0,0,0,0|0,0,2]=3 3953 B10R0.75 CCCCCCN(C)C(C)C 2230a_106256046315_100000210206 [0,1,0,0,0,0|3,0,0]=4 3954 B10R0.75 CCCCCCN(C)C(C)C 269982a_106256046315_100000210206 [0,1,0,0,0,0|3,0,0]=4 3955 B10R0.75 CCCCCCN(C)C(C)C 269982a_200000211004_100000210757 [0,1,0,0,0,0|3,0,0]=4 3956 B10R0.75 CCCCCNC(=O)C(O)O 240690a_100000209983_100000233687 [0,1,0,0,0,0|1,0,2]=4 3957 B10R0.75 CCCCCNC(=O)[C@@H](C)O 240690a_100000209983_100000717761 [0,1,0,0,0,0|1,0,2]=4 3958 B10R0.75 CCCCCNC(=O)[C@H](C)O 1626a_100000209983_217856618621 [0,1,0,0,0,0|1,0,2]=4 3959 B10R0.75 CCCCCNC(=O)[C@H](C)O 240690a_100000209983_217856618621 [0,1,0,0,0,0|1,0,2]=4 3960 B10R0.75 CCCCCNC(C)C(C)C 2230a_100000211541_100000210326 [0,1,0,0,0,0|3,0,0]=4 3961 B10R0.75 CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210326 [0,1,0,0,0,0|2,0,1]=4 3962 B10R0.75 CCCCCOC(C)C(C)C 7a_100000748068_100000210326 [0,1,0,0,0,0|3,0,0]=4 3963 B10R0.75 CCCCNCC(C)C(=O)O 269956a_100000749485_100000210211 [0,1,0,0,0,0|2,0,1]=4 3964 B10R0.75 CCCCNCC(F)C(=O)O 269956a_100000084737_100000210211 [0,1,0,0,0,0|2,0,1]=4 3965 B10R0.75 CCCCNCC(O)C(C)C 2230a_100000759067_100000210211 [0,1,0,0,0,0|2,0,0]=3 3966 B10R0.75 CCCCNCC(O)C(C)C 34a_100000759067_100000210210 [0,1,0,0,0,0|2,0,0]=3 3967 B10R0.75 CCCCOCC(=O)C(O)O 1458a_100000233687_100011995733 [0,1,0,0,0,0|1,0,2]=4 3968 B10R0.75 CCCCOCC(=O)[C@@H](C)O 1458a_100000717761_100011995733 [0,1,0,0,0,0|1,0,2]=4 3969 B10R0.75 CCCCOCC(=O)[C@H](C)O 1458a_217856618621_100011995733 [0,1,0,0,0,0|1,0,2]=4 3970 B10R0.75 CCCCOC[C@H](N)C(C)C 34a_100011830312_100000210210 [0,1,0,0,0,0|3,0,0]=4 3971 B10R0.75 CCCOCCC(=O)C(O)O 1458a_100000233687_100011215938 [0,1,0,0,0,0|1,0,2]=4 3972 B10R0.75 CCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215938 [0,1,0,0,0,0|1,0,2]=4 3973 B10R0.75 CCCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215938 [0,1,0,0,0,0|1,0,2]=4 3974 B10R0.75 CCCOCCC(N)C(C)C 34a_100161115045_100000210303 [0,1,0,0,0,0|3,0,0]=4 3975 B10R0.75 CCOCCCC(=O)C(O)O 1458a_100000233687_100012232248 [0,1,0,0,0,0|1,0,2]=4 3976 B10R0.75 CCOCCCC(=O)[C@@H](C)O 1458a_100000717761_100012232248 [0,1,0,0,0,0|1,0,2]=4 3977 B10R0.75 CCOCCCC(=O)[C@H](C)O 1458a_217856618621_100012232248 [0,1,0,0,0,0|1,0,2]=4 3978 B10R0.75 COCCCCC(=O)C(O)O 1458a_100000233687_100000755781 [0,1,0,0,0,0|1,0,2]=4 3979 B10R0.75 COCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000755781 [0,1,0,0,0,0|1,0,2]=4 3980 B10R0.75 COCCCCC(=O)[C@H](C)O 1458a_217856618621_100000755781 [0,1,0,0,0,0|1,0,2]=4 3981 B10R0.75 COCCNCC(O)C(C)C 2230a_100000759067_100011201679 [0,1,0,0,0,0|3,0,0]=4 3982 B10R0.75 COCCNCC(O)C(C)C 34a_100000759067_100011201679 [0,1,0,0,0,0|3,0,0]=4 3983 B10R0.75 CSCCNCC(O)C(C)C 2230a_100000759067_100000751147 [0,1,0,0,0,0|3,0,0]=4 3984 B10R0.75 CSCCNCC(O)C(C)C 34a_100000759067_100000212216 [0,1,0,0,0,0|3,0,0]=4 3985 B10R0.75 C[C@@H](O)C(=O)CCCCCF 1458a_100000717761_100000729378 [0,1,0,0,0,0|1,0,2]=4 3986 B10R0.75 C[C@@H](O)C(=O)CCCCCO 1458a_100000717761_100000746330 [0,1,0,0,0,0|1,0,2]=4 3987 B10R0.75 C[C@H](O)C(=O)CCCCCF 1458a_217856618621_100000729378 [0,1,0,0,0,0|1,0,2]=4 3988 B10R0.75 C[C@H](O)C(=O)CCCCCO 1458a_217856618621_100000746330 [0,1,0,0,0,0|1,0,2]=4 3989 B10R0.75 O=C(CCCCCF)C(O)O 1458a_100000233687_100000729378 [0,1,0,0,0,0|1,0,2]=4 3990 B10R0.75 O=C(CCCCCO)C(O)O 1458a_100000233687_100000746330 [0,1,0,0,0,0|1,0,2]=4 3991 B10R0.83 C#CCCCC(=O)C(O)CO 1458a_100011215603_100000731252 [0,1,0,0,0,0|0,0,3]=4 3992 B10R0.83 C=CCCCC(=O)C(O)CO 1458a_100011215603_100000757094 [0,1,0,0,0,0|0,0,3]=4 3993 B10R0.83 CC(CO)N(C)CCCCF 2230a_100000693034_100000729493 [0,1,0,0,0,0|3,0,0]=4 3994 B10R0.83 CC(CO)N(C)CCCCF 269982a_100000693034_100000729493 [0,1,0,0,0,0|3,0,0]=4 3995 B10R0.83 CC(CO)N(C)CCCCO 2230a_100000693034_100000210776 [0,1,0,0,0,0|3,0,0]=4 3996 B10R0.83 CC(CO)N(C)CCCCO 2230a_100000717598_100012180447 [0,1,0,0,0,0|3,0,0]=4 3997 B10R0.83 CC(CO)N(C)CCCCO 269982a_100000693034_100000210776 [0,1,0,0,0,0|3,0,0]=4 3998 B10R0.83 CC/C=C\CC(=O)C(O)CO 1458a_100011215603_100103147603 [0,1,0,0,0,0|0,0,3]=4 3999 B10R0.83 CCC#CCC(=O)C(O)CO 1458a_100011215603_100009813939 [0,1,0,0,0,0|0,0,3]=4 4000 B10R0.83 CCC(O)C(=O)CCCCF 1458a_100011196387_100000729493 [0,1,0,0,0,0|2,0,1]=4 4001 B10R0.83 CCC(O)C(=O)CCCCO 1458a_100011196387_100000210776 [0,1,0,0,0,0|2,0,1]=4 4002 B10R0.83 CCC(O)C(=O)CCCOC 1458a_100011196387_100000740836 [0,1,0,0,0,0|2,0,1]=4 4003 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100000212188_100000758301 [0,1,0,0,0,0|2,0,1]=4 4004 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100011192722_100000210326 [0,1,0,0,0,0|2,0,1]=4 4005 B10R0.83 CCCCCC(=O)C(O)CC 1458a_100011196387_100000210326 [0,1,0,0,0,0|1,0,1]=3 4006 B10R0.83 CCCCCC(=O)C(O)CO 1458a_100011215603_100000210326 [0,1,0,0,0,0|0,0,1]=2 4007 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100000210414_200011218191 [0,1,0,0,0,0|1,0,2]=4 4008 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100011215998_100000210202 [0,1,0,0,0,0|1,0,2]=4 4009 B10R0.83 CCCCCC(C)C(=O)CF 1458a_100011215998_100015361967 [0,1,0,0,0,0|1,0,2]=4 4010 B10R0.83 CCCCCC(C)C(=O)CO 1458a_100000210174_200011218191 [0,1,0,0,0,0|0,0,2]=3 4011 B10R0.83 CCCCCC(C)N(C)CC 2230a_100000225621_200011218191 [0,1,0,0,0,0|3,0,0]=4 4012 B10R0.83 CCCCCC(C)N(C)CC 269982a_100000225621_200011218191 [0,1,0,0,0,0|3,0,0]=4 4013 B10R0.83 CCCCCN(C)C(=O)CO 240690a_100000223495_100000210174 [0,1,0,0,0,0|1,0,2]=4 4014 B10R0.83 CCCCCN(C)C(=O)CO 527a_100000223495_100000210174 [0,1,0,0,0,0|1,0,2]=4 4015 B10R0.83 CCCCCN(C)C(C)CC 2230a_100000223495_100000758301 [0,1,0,0,0,0|3,0,0]=4 4016 B10R0.83 CCCCCN(C)C(C)CC 2230a_100000741768_100000210326 [0,1,0,0,0,0|3,0,0]=4 4017 B10R0.83 CCCCCN(C)C(C)CC 269982a_100000223495_100000758301 [0,1,0,0,0,0|3,0,0]=4 4018 B10R0.83 CCCCCN(C)C(C)CC 269982a_100000741768_100000210215 [0,1,0,0,0,0|3,0,0]=4 4019 B10R0.83 CCCCCN(C)C(C)CO 2230a_100000223495_100012180447 [0,1,0,0,0,0|2,0,0]=3 4020 B10R0.83 CCCCCN(C)C(C)CO 2230a_100000693034_100000210326 [0,1,0,0,0,0|2,0,0]=3 4021 B10R0.83 CCCCCN(C)C(C)CO 269982a_100000693034_100000210215 [0,1,0,0,0,0|2,0,0]=3 4022 B10R0.83 CCCCCN(C)[C@H](C)CO 269982a_100000223495_100016084084 [0,1,0,0,0,0|2,0,0]=3 4023 B10R0.83 CCCCNC(=O)C(O)CC 240690a_100000102301_100011196387 [0,1,0,0,0,0|2,0,1]=4 4024 B10R0.83 CCCCNC(=O)C(O)CO 240690a_100000102301_100011215603 [0,1,0,0,0,0|1,0,1]=3 4025 B10R0.83 CCCCNC(C)C(C)CC 269862a_100000102301_100000210599 [0,1,0,0,0,0|3,0,0]=4 4026 B10R0.83 CCCCNC(C)C(C)CC 270004a_100000102301_100000210599 [0,1,0,0,0,0|3,0,0]=4 4027 B10R0.83 CCCCOC(C)C(C)CC 7a_100011215189_100000210211 [0,1,0,0,0,0|3,0,0]=4 4028 B10R0.83 CCCNNC(=O)C(O)CO 22a_100000740057_100011215603 [0,1,0,0,0,0|2,0,1]=4 4029 B10R0.83 CCOCCC(=O)C(O)CC 1458a_100011196387_100011215890 [0,1,0,0,0,0|2,0,1]=4 4030 B10R0.83 CCOCCC(=O)C(O)CO 1458a_100011215603_100011215890 [0,1,0,0,0,0|1,0,1]=3 4031 B10R0.83 CCOCCN(C)C(C)CO 2230a_100000693034_100011215890 [0,1,0,0,0,0|3,0,0]=4 4032 B10R0.83 CCOCCN(C)C(C)CO 269982a_100000693034_100011215890 [0,1,0,0,0,0|3,0,0]=4 4033 B10R0.83 CCSCCC(=O)C(O)CC 1458a_100011196387_100000757381 [0,1,0,0,0,0|2,0,1]=4 4034 B10R0.83 CCSCCC(=O)C(O)CO 1458a_100011215603_100000757381 [0,1,0,0,0,0|1,0,1]=3 4035 B10R0.83 CCSCCN(C)C(C)CO 2230a_100000693034_100000757381 [0,1,0,0,0,0|3,0,0]=4 4036 B10R0.83 CCSCCN(C)C(C)CO 269982a_100000693034_100000757381 [0,1,0,0,0,0|3,0,0]=4 4037 B10R0.83 COCCCC(=O)C(O)CO 1458a_100011215603_100000740836 [0,1,0,0,0,0|1,0,1]=3 4038 B10R0.83 COCCCN(C)C(C)CO 2230a_100000224831_100012180447 [0,1,0,0,0,0|3,0,0]=4 4039 B10R0.83 COCCCN(C)C(C)CO 2230a_100000693034_100000740836 [0,1,0,0,0,0|3,0,0]=4 4040 B10R0.83 COCCCN(C)C(C)CO 269982a_100000693034_100000740836 [0,1,0,0,0,0|3,0,0]=4 4041 B10R0.83 COCCCN(C)[C@H](C)CO 269982a_100000224831_100016084084 [0,1,0,0,0,0|3,0,0]=4 4042 B10R0.83 COCCNC(=O)C(O)CO 240690a_100000209980_100011215603 [0,1,0,0,0,0|2,0,1]=4 4043 B10R0.83 CSCCNC(=O)C(O)CO 240690a_100020590264_100011215603 [0,1,0,0,0,0|2,0,1]=4 4044 B10R0.83 C[C@H](CO)N(C)CCCCO 269982a_100000717598_100016084084 [0,1,0,0,0,0|3,0,0]=4 4045 B10R0.83 N#CCCCC(=O)C(O)CO 1458a_100011215603_100000211468 [0,1,0,0,0,0|1,0,2]=4 4046 B10R0.83 O=C(CCCCF)C(O)CO 1458a_100011215603_100000729493 [0,1,0,0,0,0|1,0,1]=3 4047 B10R0.83 O=C(CCCCO)C(O)CO 1458a_100011215603_100000210776 [0,1,0,0,0,0|1,0,1]=3 4048 B10R0.83 O=C(NCCCF)C(O)CO 240690a_100015189416_100011215603 [0,1,0,0,0,0|2,0,1]=4 4049 B10R0.83 O=C(NCCCO)C(O)CO 240690a_100000182051_100011215603 [0,1,0,0,0,0|2,0,1]=4 4050 B10R0.108 C#CCC(C)OCC(O)CO 34a_100000685586_100011219619 [0,1,0,0,0,0|1,0,2]=4 4051 B10R0.108 C#CCC(C)OCC(O)CO 7a_100000685586_100011219619 [0,1,0,0,0,0|1,0,2]=4 4052 B10R0.108 C#CCC(C)OC[C@@H](O)CO 34a_100000685586_100009815848 [0,1,0,0,0,0|1,0,2]=4 4053 B10R0.108 C#CCC(C)OC[C@@H](O)CO 7a_100000685586_100009815848 [0,1,0,0,0,0|1,0,2]=4 4054 B10R0.108 C/C=C/C(C)OCC(O)CO 34a_200102604097_100011219619 [0,1,0,0,0,0|1,0,2]=4 4055 B10R0.108 C/C=C/C(C)OC[C@@H](O)CO 34a_200102604097_100009815848 [0,1,0,0,0,0|1,0,2]=4 4056 B10R0.108 C=CC(O)CNC(C)CCC 2230a_100000741246_100000730141 [0,1,0,0,0,0|2,0,1]=4 4057 B10R0.108 C=CC(O)COC(C)CCC 34a_100000764384_100000730141 [0,1,0,0,0,0|2,0,1]=4 4058 B10R0.108 C=CC(O)COC(C)CCC 7a_100000764384_100000730141 [0,1,0,0,0,0|2,0,1]=4 4059 B10R0.108 C=CC(O)CSC(C)CCC 62a_100000730141_100000766640 [0,1,0,0,0,0|2,0,1]=4 4060 B10R0.108 C=CC(O)CSC(C)CCC 62a_100000766640_100000730141 [0,1,0,0,0,0|2,0,1]=4 4061 B10R0.108 C=CC[C@@H](C)OCC(O)CO 34a_100000731007_100011219619 [0,1,0,0,0,0|1,0,2]=4 4062 B10R0.108 C=CC[C@@H](C)OCC(O)CO 7a_100000731007_100011219619 [0,1,0,0,0,0|1,0,2]=4 4063 B10R0.108 C=CC[C@@H](C)OC[C@@H](O)CO 34a_100000731007_100009815848 [0,1,0,0,0,0|1,0,2]=4 4064 B10R0.108 C=CC[C@@H](C)OC[C@@H](O)CO 7a_100000731007_100009815848 [0,1,0,0,0,0|1,0,2]=4 4065 B10R0.108 CC#CC(C)OCC(O)CO 34a_100011216543_100011219619 [0,1,0,0,0,0|1,0,2]=4 4066 B10R0.108 CC#CC(C)OC[C@@H](O)CO 34a_100011216543_100009815848 [0,1,0,0,0,0|1,0,2]=4 4067 B10R0.108 CC(CC#N)NC[C@H](O)CO 2230a_100020644852_100009813641 [0,1,0,0,0,0|2,0,1]=4 4068 B10R0.108 CC(CC#N)SCC(O)CO 62a_100009813641_100011219619 [0,1,0,0,0,0|2,0,1]=4 4069 B10R0.108 CC(CC#N)SCC(O)CO 62a_100011219619_100009813641 [0,1,0,0,0,0|2,0,1]=4 4070 B10R0.108 CC(CC#N)SC[C@@H](O)CO 62a_100009813641_100009815848 [0,1,0,0,0,0|2,0,1]=4 4071 B10R0.108 CC(CC#N)SC[C@@H](O)CO 62a_100009815848_100009813641 [0,1,0,0,0,0|2,0,1]=4 4072 B10R0.108 CC(CCBr)OCC(O)CO 34a_100012276601_100011219619 [0,1,0,0,0,0|2,0,0]=3 4073 B10R0.108 CC(CCBr)OC[C@@H](C)CO 34a_100012276601_100000059175 [0,1,0,0,0,0|3,0,0]=4 4074 B10R0.108 CC(CCBr)OC[C@@H](O)CF 34a_100012276601_100015614560 [0,1,0,0,0,0|3,0,0]=4 4075 B10R0.108 CC(CCBr)OC[C@@H](O)CO 34a_100012276601_100009815848 [0,1,0,0,0,0|2,0,0]=3 4076 B10R0.108 CC(CCN)COC(C)CO 34a_106354213184_100012180447 [0,1,0,0,0,0|3,0,0]=4 4077 B10R0.108 CC(CCO)NC[C@@H](F)CO 34a_100015665980_100009893172 [0,1,0,0,0,0|3,0,0]=4 4078 B10R0.108 CC(CCO)NC[C@H](O)CO 2230a_100020644852_100009893172 [0,1,0,0,0,0|2,0,0]=3 4079 B10R0.108 CC(CCO)SCC(O)CO 62a_100009893172_100011219619 [0,1,0,0,0,0|2,0,0]=3 4080 B10R0.108 CC(CCO)SCC(O)CO 62a_100011219619_100009893172 [0,1,0,0,0,0|2,0,0]=3 4081 B10R0.108 CC(CCO)SC[C@@H](C)CO 62a_100000059175_100009893172 [0,1,0,0,0,0|3,0,0]=4 4082 B10R0.108 CC(CCO)SC[C@@H](C)CO 62a_100009893172_100000059175 [0,1,0,0,0,0|3,0,0]=4 4083 B10R0.108 CC(CCO)SC[C@@H](O)CF 62a_100009893172_100015614560 [0,1,0,0,0,0|3,0,0]=4 4084 B10R0.108 CC(CCO)SC[C@@H](O)CF 62a_100015614560_100009893172 [0,1,0,0,0,0|3,0,0]=4 4085 B10R0.108 CC(CCO)SC[C@@H](O)CO 62a_100009815848_100009893172 [0,1,0,0,0,0|2,0,0]=3 4086 B10R0.108 CC(CCO)SC[C@@H](O)CO 62a_100009893172_100009815848 [0,1,0,0,0,0|2,0,0]=3 4087 B10R0.108 CC(CO)CNC(C)CCO 34a_100000744482_100009893172 [0,1,0,0,0,0|3,0,0]=4 4088 B10R0.108 CCC(O)CNC(C)CCO 2230a_100011218483_100009893172 [0,1,0,0,0,0|3,0,0]=4 4089 B10R0.108 CCC(O)CNC(C)COC 2230a_100011218483_100000765312 [0,1,0,0,0,0|3,0,0]=4 4090 B10R0.108 CCC(O)CNC(C)COC 270004a_100011218483_100000749346 [0,1,0,0,0,0|3,0,0]=4 4091 B10R0.108 CCC(O)CNC(C)CSC 270004a_100011218483_100011216314 [0,1,0,0,0,0|3,0,0]=4 4092 B10R0.108 CCC(O)CN[C@H](C)CCO 2230a_100000706166_100011218378 [0,1,0,0,0,0|3,0,0]=4 4093 B10R0.108 CCC(O)CN[C@H](C)CCO 34a_100000706166_100011218378 [0,1,0,0,0,0|3,0,0]=4 4094 B10R0.108 CCC(O)CN[C@H](C)COC 2230a_100000764878_100011218378 [0,1,0,0,0,0|3,0,0]=4 4095 B10R0.108 CCC(O)COC(C)CCBr 34a_100012276601_100011218378 [0,1,0,0,0,0|3,0,0]=4 4096 B10R0.108 CCC(O)CO[C@H](C)COC 34a_100011934205_100011218378 [0,1,0,0,0,0|3,0,0]=4 4097 B10R0.108 CCC(O)CSC(C)CCO 62a_100009893172_100011218378 [0,1,0,0,0,0|3,0,0]=4 4098 B10R0.108 CCC(O)CSC(C)CCO 62a_100011218378_100009893172 [0,1,0,0,0,0|3,0,0]=4 4099 B10R0.108 CCC(O)CSC(C)COC 62a_100000765312_100011218378 [0,1,0,0,0,0|3,0,0]=4 4100 B10R0.108 CCC(O)CSC(C)COC 62a_100011218378_100000765312 [0,1,0,0,0,0|3,0,0]=4 4101 B10R0.108 CCCC(=O)CCC(C)CC 1458a_100000701222_100000210303 [0,1,0,0,0,0|2,0,1]=4 4102 B10R0.108 CCCC(=O)CN[C@H](C)CO 2230a_100000737577_100000747444 [0,1,0,0,0,0|2,0,1]=4 4103 B10R0.108 CCCC(=O)CSC(C)CO 62a_100012180447_100000747444 [0,1,0,0,0,0|2,0,1]=4 4104 B10R0.108 CCCC(=O)CS[C@H](C)CO 62a_100000747444_100016084084 [0,1,0,0,0,0|2,0,1]=4 4105 B10R0.108 CCCC(=O)CS[C@H](C)CO 62a_100016084084_100000747444 [0,1,0,0,0,0|2,0,1]=4 4106 B10R0.108 CCCC(=O)NCC(C)CO 240690a_100000744482_100000211992 [0,1,0,0,0,0|2,0,1]=4 4107 B10R0.108 CCCC(=O)NCC(C)CO 527a_100000744482_100000211992 [0,1,0,0,0,0|2,0,1]=4 4108 B10R0.108 CCCC(=O)NCC(O)CC 11a_100011218483_100000211992 [0,1,0,0,0,0|2,0,1]=4 4109 B10R0.108 CCCC(=O)NCC(O)CC 240690a_100011218483_100000211992 [0,1,0,0,0,0|2,0,1]=4 4110 B10R0.108 CCCC(=O)NCC(O)CC 527a_100011218483_100000211992 [0,1,0,0,0,0|2,0,1]=4 4111 B10R0.108 CCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000211992 [0,1,0,0,0,0|2,0,1]=4 4112 B10R0.108 CCCC(=O)NC[C@@H](F)CO 527a_100015665980_100000211992 [0,1,0,0,0,0|2,0,1]=4 4113 B10R0.108 CCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000211992 [0,1,0,0,0,0|1,0,1]=3 4114 B10R0.108 CCCC(=O)NC[C@H](O)CO 527a_100020644852_100000211992 [0,1,0,0,0,0|1,0,1]=3 4115 B10R0.108 CCCC(C)CCC(C)NC 270004a_106832991635_200011216527 [0,1,0,0,0,0|3,0,0]=4 4116 B10R0.108 CCCC(C)CNC(C)CC 2230a_100000209981_100011216630 [0,1,0,0,0,0|3,0,0]=4 4117 B10R0.108 CCCC(C)CNC(C)CC 270004a_100000209981_100000243154 [0,1,0,0,0,0|3,0,0]=4 4118 B10R0.108 CCCC(C)CN[C@H](C)CF 270004a_100102880703_100000243154 [0,1,0,0,0,0|3,0,0]=4 4119 B10R0.108 CCCC(C)CN[C@H](C)CO 2230a_100000737577_100011216630 [0,1,0,0,0,0|2,0,0]=3 4120 B10R0.108 CCCC(C)CN[C@H](C)CO 270004a_100000737577_100000243154 [0,1,0,0,0,0|2,0,0]=3 4121 B10R0.108 CCCC(C)COC(C)CC 34a_100000688023_100011215416 [0,1,0,0,0,0|3,0,0]=4 4122 B10R0.108 CCCC(C)COC(C)CC 7a_100000210228_100011216630 [0,1,0,0,0,0|3,0,0]=4 4123 B10R0.108 CCCC(C)COC(C)CC 7a_100000688023_100000758301 [0,1,0,0,0,0|3,0,0]=4 4124 B10R0.108 CCCC(C)COC(C)CF 34a_100016041109_100011216630 [0,1,0,0,0,0|3,0,0]=4 4125 B10R0.108 CCCC(C)COC(C)CF 7a_100016041109_100011216630 [0,1,0,0,0,0|3,0,0]=4 4126 B10R0.108 CCCC(C)COC(C)CN 34a_100000210904_100011216630 [0,1,0,0,0,0|3,0,0]=4 4127 B10R0.108 CCCC(C)COC(C)CO 34a_100000688023_100012180447 [0,1,0,0,0,0|2,0,0]=3 4128 B10R0.108 CCCC(C)COC(C)CO 7a_100000688023_100012180447 [0,1,0,0,0,0|2,0,0]=3 4129 B10R0.108 CCCC(C)CSC(C)CC 62a_100000758301_100011216630 [0,1,0,0,0,0|3,0,0]=4 4130 B10R0.108 CCCC(C)CSC(C)CC 62a_100011216630_100000758301 [0,1,0,0,0,0|3,0,0]=4 4131 B10R0.108 CCCC(C)CSC(C)CO 62a_100012180447_100011216630 [0,1,0,0,0,0|2,0,0]=3 4132 B10R0.108 CCCC(C)CS[C@H](C)CO 62a_100011216630_100016084084 [0,1,0,0,0,0|2,0,0]=3 4133 B10R0.108 CCCC(C)CS[C@H](C)CO 62a_100016084084_100011216630 [0,1,0,0,0,0|2,0,0]=3 4134 B10R0.108 CCCC(C)NCC(C)CC 2230a_100000741246_100000748023 [0,1,0,0,0,0|3,0,0]=4 4135 B10R0.108 CCCC(C)NCC(C)CC 2230a_100020588543_100000766640 [0,1,0,0,0,0|3,0,0]=4 4136 B10R0.108 CCCC(C)NCC(C)CC 270004a_100000741246_100000243153 [0,1,0,0,0,0|3,0,0]=4 4137 B10R0.108 CCCC(C)NCC(C)CC 270004a_100020588543_100000211909 [0,1,0,0,0,0|3,0,0]=4 4138 B10R0.108 CCCC(C)NCC(C)CO 34a_100000744482_100000766640 [0,1,0,0,0,0|2,0,0]=3 4139 B10R0.108 CCCC(C)NCC(O)CC 2230a_100000741246_100011218378 [0,1,0,0,0,0|2,0,0]=3 4140 B10R0.108 CCCC(C)NCC(O)CC 2230a_100011218483_100000766640 [0,1,0,0,0,0|2,0,0]=3 4141 B10R0.108 CCCC(C)NCC(O)CC 270004a_100011218483_100000211909 [0,1,0,0,0,0|2,0,0]=3 4142 B10R0.108 CCCC(C)NCC(O)CO 2230a_100000741246_100011219619 [0,1,0,0,0,0|1,0,0]=2 4143 B10R0.108 CCCC(C)NC[C@@H](C)CC 2230a_100000741246_100009816398 [0,1,0,0,0,0|3,0,0]=4 4144 B10R0.108 CCCC(C)NC[C@@H](C)CO 2230a_100000741246_100000059175 [0,1,0,0,0,0|2,0,0]=3 4145 B10R0.108 CCCC(C)NC[C@@H](F)CO 270004a_100015665980_100000211909 [0,1,0,0,0,0|2,0,0]=3 4146 B10R0.108 CCCC(C)NC[C@@H](F)CO 34a_100015665980_100000766640 [0,1,0,0,0,0|2,0,0]=3 4147 B10R0.108 CCCC(C)NC[C@@H](O)CF 2230a_100000741246_100015614560 [0,1,0,0,0,0|2,0,0]=3 4148 B10R0.108 CCCC(C)NC[C@@H](O)CO 2230a_100000741246_100009815848 [0,1,0,0,0,0|1,0,0]=2 4149 B10R0.108 CCCC(C)NC[C@H](O)CO 2230a_100020644852_100000766640 [0,1,0,0,0,0|1,0,0]=2 4150 B10R0.108 CCCC(C)OCC(C)CC 34a_100000764384_100000748023 [0,1,0,0,0,0|3,0,0]=4 4151 B10R0.108 CCCC(C)OCC(C)CC 7a_100000764384_100000748023 [0,1,0,0,0,0|3,0,0]=4 4152 B10R0.108 CCCC(C)OCC(C)CN 34a_100000744482_100000766640 [0,1,0,0,0,0|3,0,0]=4 4153 B10R0.108 CCCC(C)OCC(Cl)CCl 34a_100000033668_100000766640 [0,1,0,0,0,0|3,0,0]=4 4154 B10R0.108 CCCC(C)OCC(O)CC 34a_100000764384_100011218378 [0,1,0,0,0,0|2,0,0]=3 4155 B10R0.108 CCCC(C)OCC(O)CC 7a_100000764384_100011218378 [0,1,0,0,0,0|2,0,0]=3 4156 B10R0.108 CCCC(C)OCC(O)CO 34a_100000764384_100011219619 [0,1,0,0,0,0|1,0,0]=2 4157 B10R0.108 CCCC(C)OCC(O)CO 7a_100000764384_100011219619 [0,1,0,0,0,0|1,0,0]=2 4158 B10R0.108 CCCC(C)OC[C@@H](C)CC 34a_100000764384_100009816398 [0,1,0,0,0,0|3,0,0]=4 4159 B10R0.108 CCCC(C)OC[C@@H](C)CC 7a_100000764384_100009816398 [0,1,0,0,0,0|3,0,0]=4 4160 B10R0.108 CCCC(C)OC[C@@H](C)CC 7a_100009816381_100000766640 [0,1,0,0,0,0|3,0,0]=4 4161 B10R0.108 CCCC(C)OC[C@@H](C)CO 34a_100000764384_100000059175 [0,1,0,0,0,0|2,0,0]=3 4162 B10R0.108 CCCC(C)OC[C@@H](C)CO 7a_100000764384_100000059175 [0,1,0,0,0,0|2,0,0]=3 4163 B10R0.108 CCCC(C)OC[C@@H](O)CF 34a_100000764384_100015614560 [0,1,0,0,0,0|2,0,0]=3 4164 B10R0.108 CCCC(C)OC[C@@H](O)CF 7a_100000764384_100015614560 [0,1,0,0,0,0|2,0,0]=3 4165 B10R0.108 CCCC(C)OC[C@@H](O)CO 34a_100000764384_100009815848 [0,1,0,0,0,0|1,0,0]=2 4166 B10R0.108 CCCC(C)OC[C@@H](O)CO 7a_100000764384_100009815848 [0,1,0,0,0,0|1,0,0]=2 4167 B10R0.108 CCCC(C)OC[C@H](F)CN 34a_100015665980_100000766640 [0,1,0,0,0,0|3,0,0]=4 4168 B10R0.108 CCCC(C)SCC(C)CC 62a_100000748023_100000766640 [0,1,0,0,0,0|3,0,0]=4 4169 B10R0.108 CCCC(C)SCC(C)CC 62a_100000766640_100000748023 [0,1,0,0,0,0|3,0,0]=4 4170 B10R0.108 CCCC(C)SCC(O)CC 62a_100000766640_100011218378 [0,1,0,0,0,0|2,0,0]=3 4171 B10R0.108 CCCC(C)SCC(O)CC 62a_100011218378_100000766640 [0,1,0,0,0,0|2,0,0]=3 4172 B10R0.108 CCCC(C)SCC(O)CO 62a_100000766640_100011219619 [0,1,0,0,0,0|1,0,0]=2 4173 B10R0.108 CCCC(C)SCC(O)CO 62a_100011219619_100000766640 [0,1,0,0,0,0|1,0,0]=2 4174 B10R0.108 CCCC(C)SC[C@@H](C)CC 62a_100000766640_100009816398 [0,1,0,0,0,0|3,0,0]=4 4175 B10R0.108 CCCC(C)SC[C@@H](C)CC 62a_100009816398_100000766640 [0,1,0,0,0,0|3,0,0]=4 4176 B10R0.108 CCCC(C)SC[C@@H](C)CO 62a_100000059175_100000766640 [0,1,0,0,0,0|2,0,0]=3 4177 B10R0.108 CCCC(C)SC[C@@H](C)CO 62a_100000766640_100000059175 [0,1,0,0,0,0|2,0,0]=3 4178 B10R0.108 CCCC(C)SC[C@@H](O)CF 62a_100000766640_100015614560 [0,1,0,0,0,0|2,0,0]=3 4179 B10R0.108 CCCC(C)SC[C@@H](O)CF 62a_100015614560_100000766640 [0,1,0,0,0,0|2,0,0]=3 4180 B10R0.108 CCCC(C)SC[C@@H](O)CO 62a_100000766640_100009815848 [0,1,0,0,0,0|1,0,0]=2 4181 B10R0.108 CCCC(C)SC[C@@H](O)CO 62a_100009815848_100000766640 [0,1,0,0,0,0|1,0,0]=2 4182 B10R0.108 CCC[C@H](N)COC(C)CC 34a_100000732646_100011215416 [0,1,0,0,0,0|3,0,0]=4 4183 B10R0.108 CCC[C@H](N)COC(C)CO 34a_100000732646_100012180447 [0,1,0,0,0,0|2,0,0]=3 4184 B10R0.108 CCNC(=O)CCC(O)CC 240690a_100015525214_203496584001 [0,1,0,0,0,0|2,0,1]=4 4185 B10R0.108 CCNC(=O)NC[C@H](O)CO 2708a_100015525214_100020644852 [0,1,0,0,0,0|2,0,1]=4 4186 B10R0.108 CCNC(=O)NC[C@H](O)CO 273464a_100015525214_100020644852 [0,1,0,0,0,0|2,0,1]=4 4187 B10R0.108 CCNC(=O)NC[C@H](O)CO 273464a_100020644852_100015525214 [0,1,0,0,0,0|2,0,1]=4 4188 B10R0.108 CCOC(C)CCC(C)CC 7a_200011216552_100000210202 [0,1,0,0,0,0|3,0,0]=4 4189 B10R0.108 CNCC(=O)NCC(O)CO 2230a_106832991635_200012027429 [0,1,0,0,0,0|2,0,1]=4 4190 B10R0.108 CNCC(=O)NCC(O)CO 34a_100102657272_200012027429 [0,1,0,0,0,0|2,0,1]=4 4191 B10R0.108 CNCC(=O)NCC(O)CO 7a_106832991635_200012027429 [0,1,0,0,0,0|2,0,1]=4 4192 B10R0.108 COCC(=O)NCC(O)CO 34a_100138415774_200012027429 [0,1,0,0,0,0|2,0,1]=4 4193 B10R0.108 COCC(=O)NC[C@H](O)CO 240690a_100020644852_100000210968 [0,1,0,0,0,0|2,0,1]=4 4194 B10R0.108 COCC(=O)NC[C@H](O)CO 527a_100020644852_100000210968 [0,1,0,0,0,0|2,0,1]=4 4195 B10R0.108 COCC(C)NCC(C)CO 34a_100000744482_100000765312 [0,1,0,0,0,0|3,0,0]=4 4196 B10R0.108 COCC(C)NC[C@@H](F)CO 270004a_100015665980_100000749346 [0,1,0,0,0,0|3,0,0]=4 4197 B10R0.108 COCC(C)NC[C@@H](F)CO 34a_100015665980_100000765312 [0,1,0,0,0,0|3,0,0]=4 4198 B10R0.108 COCC(C)NC[C@H](O)CO 2230a_100020644852_100000765312 [0,1,0,0,0,0|2,0,0]=3 4199 B10R0.108 COCC(C)SCC(O)CO 62a_100000765312_100011219619 [0,1,0,0,0,0|2,0,0]=3 4200 B10R0.108 COCC(C)SCC(O)CO 62a_100011219619_100000765312 [0,1,0,0,0,0|2,0,0]=3 4201 B10R0.108 COCC(C)SC[C@@H](C)CO 62a_100000059175_100000765312 [0,1,0,0,0,0|3,0,0]=4 4202 B10R0.108 COCC(C)SC[C@@H](C)CO 62a_100000765312_100000059175 [0,1,0,0,0,0|3,0,0]=4 4203 B10R0.108 COCC(C)SC[C@@H](O)CF 62a_100000765312_100015614560 [0,1,0,0,0,0|3,0,0]=4 4204 B10R0.108 COCC(C)SC[C@@H](O)CF 62a_100015614560_100000765312 [0,1,0,0,0,0|3,0,0]=4 4205 B10R0.108 COCC(C)SC[C@@H](O)CO 62a_100000765312_100009815848 [0,1,0,0,0,0|2,0,0]=3 4206 B10R0.108 COCC(C)SC[C@@H](O)CO 62a_100009815848_100000765312 [0,1,0,0,0,0|2,0,0]=3 4207 B10R0.108 COCC(N)COC(C)CO 34a_100000724102_100012180447 [0,1,0,0,0,0|3,0,0]=4 4208 B10R0.108 COCC(O)CNC(C)CO 2230a_100000756049_100012180447 [0,1,0,0,0,0|3,0,0]=4 4209 B10R0.108 COCC(O)CNC(C)CO 34a_100000756049_100012180447 [0,1,0,0,0,0|3,0,0]=4 4210 B10R0.108 COCC(O)CSC(C)CO 62a_100012180447_100011215053 [0,1,0,0,0,0|3,0,0]=4 4211 B10R0.108 COCC(O)CS[C@H](C)CO 62a_100011215053_100016084084 [0,1,0,0,0,0|3,0,0]=4 4212 B10R0.108 COCC(O)CS[C@H](C)CO 62a_100016084084_100011215053 [0,1,0,0,0,0|3,0,0]=4 4213 B10R0.108 COC[C@@H](C)NCC(O)CO 2230a_100000764878_100011219619 [0,1,0,0,0,0|2,0,0]=3 4214 B10R0.108 COC[C@@H](C)NC[C@@H](C)CO 2230a_100000764878_100000059175 [0,1,0,0,0,0|3,0,0]=4 4215 B10R0.108 COC[C@@H](C)NC[C@@H](O)CF 2230a_100000764878_100015614560 [0,1,0,0,0,0|3,0,0]=4 4216 B10R0.108 COC[C@@H](C)NC[C@@H](O)CO 2230a_100000764878_100009815848 [0,1,0,0,0,0|2,0,0]=3 4217 B10R0.108 COC[C@@H](C)OCC(O)CO 34a_100011934205_100011219619 [0,1,0,0,0,0|2,0,0]=3 4218 B10R0.108 COC[C@@H](C)OC[C@@H](C)CO 34a_100011934205_100000059175 [0,1,0,0,0,0|3,0,0]=4 4219 B10R0.108 COC[C@@H](C)OC[C@@H](O)CF 34a_100011934205_100015614560 [0,1,0,0,0,0|3,0,0]=4 4220 B10R0.108 COC[C@@H](C)OC[C@@H](O)CO 34a_100011934205_100009815848 [0,1,0,0,0,0|2,0,0]=3 4221 B10R0.108 CSCC(=O)NCC(O)CO 62a_200000210301_200012027429 [0,1,0,0,0,0|2,0,1]=4 4222 B10R0.108 CSCC(=O)NCC(O)CO 62a_200012027429_200000210301 [0,1,0,0,0,0|2,0,1]=4 4223 B10R0.108 CSCC(=O)NC[C@H](O)CO 240690a_100020644852_100000184570 [0,1,0,0,0,0|2,0,1]=4 4224 B10R0.108 CSCC(=O)NC[C@H](O)CO 527a_100020644852_100000184570 [0,1,0,0,0,0|2,0,1]=4 4225 B10R0.108 CSCC(C)NC[C@@H](F)CO 270004a_100015665980_100011216314 [0,1,0,0,0,0|3,0,0]=4 4226 B10R0.108 C[C@@H](CC#N)NCC(O)CO 2230a_100016994482_100011219619 [0,1,0,0,0,0|2,0,1]=4 4227 B10R0.108 C[C@@H](CC#N)NC[C@@H](O)CO 2230a_100016994482_100009815848 [0,1,0,0,0,0|2,0,1]=4 4228 B10R0.108 C[C@@H](CO)CN[C@H](C)CCO 2230a_100000706166_100000059175 [0,1,0,0,0,0|3,0,0]=4 4229 B10R0.108 C[C@@H](CO)CN[C@H](C)CCO 34a_100000706166_100000059175 [0,1,0,0,0,0|3,0,0]=4 4230 B10R0.108 C[C@H](CCO)NCC(O)CO 2230a_100000706166_100011219619 [0,1,0,0,0,0|2,0,0]=3 4231 B10R0.108 C[C@H](CCO)NCC(O)CO 34a_100000706166_100011219619 [0,1,0,0,0,0|2,0,0]=3 4232 B10R0.108 C[C@H](CCO)NC[C@@H](O)CF 2230a_100000706166_100015614560 [0,1,0,0,0,0|3,0,0]=4 4233 B10R0.108 C[C@H](CCO)NC[C@@H](O)CF 34a_100000706166_100015614560 [0,1,0,0,0,0|3,0,0]=4 4234 B10R0.108 C[C@H](CCO)NC[C@@H](O)CO 2230a_100000706166_100009815848 [0,1,0,0,0,0|2,0,0]=3 4235 B10R0.108 C[C@H](CCO)NC[C@@H](O)CO 34a_100000706166_100009815848 [0,1,0,0,0,0|2,0,0]=3 4236 B10R0.108 O=C(CCO)NC[C@H](O)CO 240690a_100020644852_100011216618 [0,1,0,0,0,0|2,0,1]=4 4237 B10R0.108 [13CH3]SCC(=O)NCC(O)CO 62a_200012027429_200025704644 [0,1,0,0,0,0|2,0,1]=4 4238 B10R0.108 [13CH3]SCC(=O)NCC(O)CO 62a_200025704644_200012027429 [0,1,0,0,0,0|2,0,1]=4 4239 B10R1.1 CC1CCC(CC1)CN[13CH3] 2230a_103436935547_200025704644 [0,0,0,1,0,0|3,0,0]=4 4240 B10R1.1 CC1CCC(CC1)CN[13CH3] 34a_103436935547_200025704644 [0,0,0,1,0,0|3,0,0]=4 4241 B10R1.1 CC1CCC(CC1)CO[13CH3] 34a_100000701341_200025704644 [0,0,0,1,0,0|3,0,0]=4 4242 B10R1.1 CCCC1CCN(CC1)C 2230a_100015355601_200000210301 [0,0,0,1,0,0|3,0,0]=4 4243 B10R1.1 CCCC1CCN(CC1)C 269982a_100015355601_200000210301 [0,0,0,1,0,0|3,0,0]=4 4244 B10R1.1 CCCC1CCN(CC1)C 34a_100015355601_200000210301 [0,0,0,1,0,0|3,0,0]=4 4245 B10R1.1 CCCC1CCN(CC1)[13CH3] 2230a_100015355601_200025704644 [0,0,0,1,0,0|3,0,0]=4 4246 B10R1.1 CCCC1CCN(CC1)[13CH3] 269982a_100015355601_200025704644 [0,0,0,1,0,0|3,0,0]=4 4247 B10R1.1 CCCC1CCN(CC1)[13CH3] 34a_100015355601_200025704644 [0,0,0,1,0,0|3,0,0]=4 4248 B10R1.1 CCCN1CCC(CC1)C 2230a_100000188429_100000210303 [0,0,0,1,0,0|3,0,0]=4 4249 B10R1.1 CCCN1CCC(CC1)C 269982a_100000188429_100000210303 [0,0,0,1,0,0|3,0,0]=4 4250 B10R1.1 CCCN1CCC(CC1)C 34a_100000188429_100000210303 [0,0,0,1,0,0|3,0,0]=4 4251 B10R1.1 CCCN1CCC(CC1)F 2230a_100015193889_100000210303 [0,0,0,1,0,0|3,0,0]=4 4252 B10R1.1 CCCN1CCC(CC1)F 269982a_100015193889_100000210303 [0,0,0,1,0,0|3,0,0]=4 4253 B10R1.1 CCCN1CCC(CC1)F 34a_100015193889_100000210303 [0,0,0,1,0,0|3,0,0]=4 4254 B10R1.1 CCCN1CCC(CC1)O 2230a_100025773856_100000210303 [0,0,0,1,0,0|2,0,0]=3 4255 B10R1.1 CCCN1CCC(CC1)O 269982a_100025773856_100000210303 [0,0,0,1,0,0|2,0,0]=3 4256 B10R1.1 CCNC1CCC(CC1)C 270004a_100015525214_100000185489 [0,0,0,1,0,0|3,0,0]=4 4257 B10R1.1 CCNC1CCC(CC1)O 270004a_100015525214_100000764474 [0,0,0,1,0,0|2,0,0]=3 4258 B10R1.1 CCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000210202 [0,0,0,1,0,0|3,0,0]=4 4259 B10R1.1 CCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000210202 [0,0,0,1,0,0|3,0,0]=4 4260 B10R1.1 CCOC1CCC(CC1)C 34a_100000210714_100000210202 [0,0,0,1,0,0|3,0,0]=4 4261 B10R1.1 CCOC1CCC(CC1)C 34a_100121572206_200011216234 [0,0,0,1,0,0|3,0,0]=4 4262 B10R1.1 CCOC1CCC(CC1)C 7a_100000210714_100000210202 [0,0,0,1,0,0|3,0,0]=4 4263 B10R1.1 CCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000210202 [0,0,0,1,0,0|3,0,0]=4 4264 B10R1.1 CCSC1CCC(CC1)C 62a_100000210202_200011216234 [0,0,0,1,0,0|3,0,0]=4 4265 B10R1.1 CNCC1CCC(CC1)C 2230a_103436935547_200000210301 [0,0,0,1,0,0|3,0,0]=4 4266 B10R1.1 CNCC1CCC(CC1)C 34a_103436935547_200000210301 [0,0,0,1,0,0|3,0,0]=4 4267 B10R1.1 COCC1CCC(CC1)C 34a_100000701341_200000210301 [0,0,0,1,0,0|3,0,0]=4 4268 B10R1.1 COCN1CCC(CC1)O 2230a_100025773856_100000766300 [0,0,0,1,0,0|3,0,0]=4 4269 B10R1.1 COCN1CCC(CC1)O 269982a_100025773856_100000766300 [0,0,0,1,0,0|3,0,0]=4 4270 B10R1.1 COC[C@H]1CC[C@@H](CC1)N 34a_100009821084_200000210301 [0,0,0,1,0,0|3,0,0]=4 4271 B10R1.1 CSCN1CCC(CC1)O 2230a_100025773856_100011218213 [0,0,0,1,0,0|3,0,0]=4 4272 B10R1.1 CSCN1CCC(CC1)O 269982a_100025773856_100011218213 [0,0,0,1,0,0|3,0,0]=4 4273 B10R1.1 OC1CCN(CC1)CCF 2230a_100025773856_100011217306 [0,0,0,1,0,0|3,0,0]=4 4274 B10R1.1 OC1CCN(CC1)CCF 269982a_100025773856_100011217306 [0,0,0,1,0,0|3,0,0]=4 4275 B10R1.1 OCCN1CCC(CC1)O 2230a_100025773856_100000211926 [0,0,0,1,0,0|3,0,0]=4 4276 B10R1.1 OCCN1CCC(CC1)O 269982a_100025773856_100000211926 [0,0,0,1,0,0|3,0,0]=4 4277 B10R1.1 [13CH3]OC[C@H]1CC[C@@H](CC1)N 34a_100009821084_200025704644 [0,0,0,1,0,0|3,0,0]=4 4278 B10R1.2 CC1CCCC(C1C)N[13CH3] 2230a_100000211273_200025704644 [0,0,0,1,0,0|3,0,0]=4 4279 B10R1.2 CC1CCCC(C1C)N[13CH3] 34a_100000211273_200025704644 [0,0,0,1,0,0|3,0,0]=4 4280 B10R1.2 CC1CCCC(C1C)O[13CH3] 34a_100011217532_200025704644 [0,0,0,1,0,0|3,0,0]=4 4281 B10R1.2 CC1CCCC(C1C)O[13CH3] 7a_100011217532_200025704644 [0,0,0,1,0,0|3,0,0]=4 4282 B10R1.2 CNC1CCCC(C1C)C 2230a_100000211273_200000210301 [0,0,0,1,0,0|3,0,0]=4 4283 B10R1.2 CNC1CCCC(C1C)C 34a_100000211273_200000210301 [0,0,0,1,0,0|3,0,0]=4 4284 B10R1.2 COC1CCCC(C1C)C 34a_100011217532_200000210301 [0,0,0,1,0,0|3,0,0]=4 4285 B10R1.2 COC1CCCC(C1C)C 7a_100011217532_200000210301 [0,0,0,1,0,0|3,0,0]=4 4286 B10R1.15 CC(CO)N1CCCOC1 2230a_100000131196_100012180447 [0,0,0,1,0,0|3,0,0]=4 4287 B10R1.15 CC(CO)N1CCCOC1 34a_100000131196_100012180447 [0,0,0,1,0,0|3,0,0]=4 4288 B10R1.15 CC(CO)N1CCOCC1 2230a_100015191051_100012180447 [0,0,0,1,0,0|3,0,0]=4 4289 B10R1.15 CC(CO)N1CCOCC1 34a_100015191051_100012180447 [0,0,0,1,0,0|3,0,0]=4 4290 B10R1.15 CC(CO)N1CCSCC1 2230a_100000737611_100012180447 [0,0,0,1,0,0|3,0,0]=4 4291 B10R1.15 CC(O[13CH3])C1CCCCC1 34a_100011216961_200025704644 [0,0,0,1,0,0|3,0,0]=4 4292 B10R1.15 CC(O[13CH3])C1CCCCC1 7a_100011216961_200025704644 [0,0,0,1,0,0|3,0,0]=4 4293 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210414_100000210327 [0,0,0,1,0,0|1,0,2]=4 4294 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210647_100000210202 [0,0,0,1,0,0|1,0,2]=4 4295 B10R1.15 CCN(C)C1CCCCC1 2230a_100000201195_200000210301 [0,0,0,1,0,0|3,0,0]=4 4296 B10R1.15 CCN(C)C1CCCCC1 2230a_100000207522_100000210202 [0,0,0,1,0,0|3,0,0]=4 4297 B10R1.15 CCN(C)C1CCCCC1 269982a_100000201195_200000210301 [0,0,0,1,0,0|3,0,0]=4 4298 B10R1.15 CCN(C)C1CCCCC1 269982a_100000207522_100000204670 [0,0,0,1,0,0|3,0,0]=4 4299 B10R1.15 CCN(C)C1CCCCC1 269982a_100000225621_100000210327 [0,0,0,1,0,0|3,0,0]=4 4300 B10R1.15 CCN(C)C1CCCCC1 34a_100000201195_200000210301 [0,0,0,1,0,0|3,0,0]=4 4301 B10R1.15 CCN(C)C1CCCCC1 34a_100000207522_100000210202 [0,0,0,1,0,0|3,0,0]=4 4302 B10R1.15 CCN([13CH3])C1CCCCC1 2230a_100000201195_200025704644 [0,0,0,1,0,0|3,0,0]=4 4303 B10R1.15 CCN([13CH3])C1CCCCC1 269982a_100000201195_200025704644 [0,0,0,1,0,0|3,0,0]=4 4304 B10R1.15 CCN([13CH3])C1CCCCC1 34a_100000201195_200025704644 [0,0,0,1,0,0|3,0,0]=4 4305 B10R1.15 CN(CF)C1CCCCC1 269982a_100000207522_100015361967 [0,0,0,1,0,0|3,0,0]=4 4306 B10R1.15 CN(CF)C1CCCCC1 34a_100000207522_100015361967 [0,0,0,1,0,0|3,0,0]=4 4307 B10R1.15 CNC(C)C1CCCCC1 269862a_106832991636_100000210989 [0,0,0,1,0,0|3,0,0]=4 4308 B10R1.15 CN[C@H](C)C1CCCCC1 2230a_100025707633_200000210301 [0,0,0,1,0,0|3,0,0]=4 4309 B10R1.15 CN[C@H](C)C1CCCCC1 34a_100025707633_200000210301 [0,0,0,1,0,0|3,0,0]=4 4310 B10R1.15 COC(C)C1CCCCC1 34a_100011216961_200000210301 [0,0,0,1,0,0|3,0,0]=4 4311 B10R1.15 COC(C)C1CCCCC1 7a_100011216961_200000210301 [0,0,0,1,0,0|3,0,0]=4 4312 B10R1.15 C[C@@H](N[13CH3])C1CCCCC1 2230a_100025707633_200025704644 [0,0,0,1,0,0|3,0,0]=4 4313 B10R1.15 C[C@@H](N[13CH3])C1CCCCC1 34a_100025707633_200025704644 [0,0,0,1,0,0|3,0,0]=4 4314 B10R1.15 C[C@H](CO)N1CCCOC1 269982a_100000131196_100016084084 [0,0,0,1,0,0|3,0,0]=4 4315 B10R1.15 C[C@H](CO)N1CCOCC1 269982a_100015191051_100016084084 [0,0,0,1,0,0|3,0,0]=4 4316 B10R1.15 C[C@H](CO)N1CCSCC1 269982a_100000737611_100016084084 [0,0,0,1,0,0|3,0,0]=4 4317 B10R1.15 O=C(CF)C1CCCCC1 1458a_100000210647_100015361967 [0,0,0,1,0,0|1,0,2]=4 4318 B10R1.15 O=C(CO)C1CCCCC1 1458a_100000210174_100000210327 [0,0,0,1,0,0|0,0,2]=3 4319 B10R1.15 O=C(CO)C1CCCOC1 1458a_100000210174_100000693364 [0,0,0,1,0,0|1,0,2]=4 4320 B10R1.15 O=C(CO)C1CCOCC1 1458a_100000210174_100011324220 [0,0,0,1,0,0|1,0,2]=4 4321 B10R1.16 CCCCN1CCC(C1)O 2230a_100011215560_100000210211 [0,0,0,1,0,0|2,0,0]=3 4322 B10R1.16 CCCCN1CCC(C1)O 269982a_100011215560_100000210211 [0,0,0,1,0,0|2,0,0]=3 4323 B10R1.16 CCCCN1CC[C@@H](C1)F 2230a_100015203821_100000210211 [0,0,0,1,0,0|3,0,0]=4 4324 B10R1.16 CCCCN1CC[C@@H](C1)F 269982a_100015203821_100000210211 [0,0,0,1,0,0|3,0,0]=4 4325 B10R1.16 CCCCN1CC[C@@H](C1)F 34a_100015203821_100000210210 [0,0,0,1,0,0|3,0,0]=4 4326 B10R1.16 CCCCN1CC[C@H](C1)C 2230a_100016987628_100000210211 [0,0,0,1,0,0|3,0,0]=4 4327 B10R1.16 CCCCN1CC[C@H](C1)C 269982a_100016987628_100000210211 [0,0,0,1,0,0|3,0,0]=4 4328 B10R1.16 CCCCN1CC[C@H](C1)C 34a_100016987628_100000210210 [0,0,0,1,0,0|3,0,0]=4 4329 B10R1.16 CCCNC1CCC(C1)C 270004a_100020643023_100011215218 [0,0,0,1,0,0|3,0,0]=4 4330 B10R1.16 CCCNC1CCC(C1)O 270004a_100020643023_100012614533 [0,0,0,1,0,0|2,0,0]=3 4331 B10R1.16 CCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210303 [0,0,0,1,0,0|2,0,0]=3 4332 B10R1.16 CCCOC1CCC(C1)C 34a_100000698185_100000210303 [0,0,0,1,0,0|3,0,0]=4 4333 B10R1.16 CCOCN1CCC(C1)O 269982a_100011215560_100000739092 [0,0,0,1,0,0|3,0,0]=4 4334 B10R1.16 CCOC[C@@H]1C[C@@H](CN1)F 34a_100015204000_100000210202 [0,0,0,1,0,0|3,0,0]=4 4335 B10R1.16 COCCN1CCC(C1)O 2230a_100011215560_100011201679 [0,0,0,1,0,0|3,0,0]=4 4336 B10R1.16 COCCN1CCC(C1)O 269982a_100011215560_100000233755 [0,0,0,1,0,0|3,0,0]=4 4337 B10R1.16 COCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000766300 [0,0,0,1,0,0|3,0,0]=4 4338 B10R1.16 CSCCN1CCC(C1)O 2230a_100011215560_100000751147 [0,0,0,1,0,0|3,0,0]=4 4339 B10R1.16 CSCCN1CCC(C1)O 269982a_100011215560_100000212216 [0,0,0,1,0,0|3,0,0]=4 4340 B10R1.16 CSCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100011218213 [0,0,0,1,0,0|3,0,0]=4 4341 B10R1.16 OC1CCN(C1)CCCF 2230a_100011215560_100011934791 [0,0,0,1,0,0|3,0,0]=4 4342 B10R1.16 OC1CCN(C1)CCCF 269982a_100011215560_100011934791 [0,0,0,1,0,0|3,0,0]=4 4343 B10R1.16 OCCCN1CCC(C1)O 2230a_100011215560_100000230001 [0,0,0,1,0,0|3,0,0]=4 4344 B10R1.16 OCCCN1CCC(C1)O 269982a_100011215560_100011215043 [0,0,0,1,0,0|3,0,0]=4 4345 B10R1.16 OCCNC1CCC(C1)O 270004a_100000210304_100012614533 [0,0,0,1,0,0|3,0,0]=4 4346 B10R1.16 OCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000211926 [0,0,0,1,0,0|3,0,0]=4 4347 B10R1.16 O[C@@H]1CC[C@@H](C1)NCCF 2230a_100015195300_100011217306 [0,0,0,1,0,0|3,0,0]=4 4348 B10R1.27 C=CC(O)CN1CCCC1 2230a_100000188435_100000730141 [0,0,0,1,0,0|2,0,1]=4 4349 B10R1.27 CC(CF)OC1CCCC1 34a_100016041109_100000179811 [0,0,0,1,0,0|3,0,0]=4 4350 B10R1.27 CC(CF)OC1CCCC1 7a_100016041109_100000179811 [0,0,0,1,0,0|3,0,0]=4 4351 B10R1.27 CC(CN)OC1CCCC1 34a_100000210904_100000179811 [0,0,0,1,0,0|3,0,0]=4 4352 B10R1.27 CC(CO)NC1CCCC1 2230a_100000211070_100012180447 [0,0,0,1,0,0|2,0,0]=3 4353 B10R1.27 CC(CO)NC1CCCC1 34a_100000211070_100012180447 [0,0,0,1,0,0|2,0,0]=3 4354 B10R1.27 CC(CO)N[C@@H]1CCOC1 2230a_200015188469_100012180447 [0,0,0,1,0,0|3,0,0]=4 4355 B10R1.27 CC(CO)N[C@H]1CCOC1 2230a_100015188467_100012180447 [0,0,0,1,0,0|3,0,0]=4 4356 B10R1.27 CC(CO)N[C@H]1CCOC1 34a_100015188467_100012180447 [0,0,0,1,0,0|3,0,0]=4 4357 B10R1.27 CC(CO)OC1CCCC1 34a_100000210269_100012180447 [0,0,0,1,0,0|2,0,0]=3 4358 B10R1.27 CC(CO)OC1CCCC1 7a_100000210269_100012180447 [0,0,0,1,0,0|2,0,0]=3 4359 B10R1.27 CC(CO)OC1CCCO1 34a_100000085407_100012180447 [0,0,0,1,0,0|3,0,0]=4 4360 B10R1.27 CC(CO)OC1CCSC1 7a_100011232664_100012180447 [0,0,0,1,0,0|3,0,0]=4 4361 B10R1.27 CC(CO)O[C@H]1CCOC1 34a_100000717292_100012180447 [0,0,0,1,0,0|3,0,0]=4 4362 B10R1.27 CC(CO)SC1CCCC1 62a_100012180447_100000179811 [0,0,0,1,0,0|2,0,0]=3 4363 B10R1.27 CC(CO)SC1CCOC1 62a_100012180447_100000690089 [0,0,0,1,0,0|3,0,0]=4 4364 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210414_100000740388 [0,0,0,1,0,0|1,0,2]=4 4365 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210891_100000210202 [0,0,0,1,0,0|1,0,2]=4 4366 B10R1.27 CCC(C)CN1CCCC1 2230a_100000188435_100000748023 [0,0,0,1,0,0|3,0,0]=4 4367 B10R1.27 CCC(C)CN1CCCC1 269982a_100000188435_100000748023 [0,0,0,1,0,0|3,0,0]=4 4368 B10R1.27 CCC(C)CN1CCCC1 270004a_100000188435_100000243153 [0,0,0,1,0,0|3,0,0]=4 4369 B10R1.27 CCC(C)NC1CCCC1 2230a_100000209981_100000179811 [0,0,0,1,0,0|3,0,0]=4 4370 B10R1.27 CCC(C)NC1CCCC1 2230a_100000211070_100000758301 [0,0,0,1,0,0|3,0,0]=4 4371 B10R1.27 CCC(C)NC1CCCC1 270004a_100000209981_100000210133 [0,0,0,1,0,0|3,0,0]=4 4372 B10R1.27 CCC(C)NC1CCCC1 34a_100000211070_100011215416 [0,0,0,1,0,0|3,0,0]=4 4373 B10R1.27 CCC(C)OC1CCCC1 34a_100000210269_100011215416 [0,0,0,1,0,0|3,0,0]=4 4374 B10R1.27 CCC(C)OC1CCCC1 7a_100000210228_100000179811 [0,0,0,1,0,0|3,0,0]=4 4375 B10R1.27 CCC(C)OC1CCCC1 7a_100000210269_100000758301 [0,0,0,1,0,0|3,0,0]=4 4376 B10R1.27 CCC(C)SC1CCCC1 62a_100000758301_100000179811 [0,0,0,1,0,0|3,0,0]=4 4377 B10R1.27 CCC(C)SC1CCCC1 62a_100011217020_100000758301 [0,0,0,1,0,0|3,0,0]=4 4378 B10R1.27 CCC(O)CN1CCCC1 2230a_100000188435_100011218378 [0,0,0,1,0,0|2,0,0]=3 4379 B10R1.27 CCC(O)CN1CCCC1 269982a_100000188435_100011218378 [0,0,0,1,0,0|2,0,0]=3 4380 B10R1.27 CCC(O)CN1CCSC1 2230a_100011215254_100011218378 [0,0,0,1,0,0|3,0,0]=4 4381 B10R1.27 CCC(O)CN1CCSC1 269982a_100011215254_100011218378 [0,0,0,1,0,0|3,0,0]=4 4382 B10R1.27 CCN(C)CC1CCCC1 2230a_100000225621_100000740388 [0,0,0,1,0,0|3,0,0]=4 4383 B10R1.27 CCN(C)CC1CCCC1 269982a_100000225621_100000740388 [0,0,0,1,0,0|3,0,0]=4 4384 B10R1.27 CC[C@H](C)CN1CCCC1 2230a_100000188435_100009816398 [0,0,0,1,0,0|3,0,0]=4 4385 B10R1.27 CC[C@H](C)CN1CCCC1 269982a_100000188435_100009816398 [0,0,0,1,0,0|3,0,0]=4 4386 B10R1.27 CNC(C)CC1CCCC1 270004a_106832991635_100000692464 [0,0,0,1,0,0|3,0,0]=4 4387 B10R1.27 C[C@@H](CO)CN1CCCC1 2230a_100000188435_100000059175 [0,0,0,1,0,0|2,0,0]=3 4388 B10R1.27 C[C@@H](CO)CN1CCCC1 269982a_100000188435_100000059175 [0,0,0,1,0,0|2,0,0]=3 4389 B10R1.27 C[C@@H](CO)CN1CCSC1 2230a_100011215254_100000059175 [0,0,0,1,0,0|3,0,0]=4 4390 B10R1.27 C[C@@H](CO)CN1CCSC1 269982a_100011215254_100000059175 [0,0,0,1,0,0|3,0,0]=4 4391 B10R1.27 C[C@H](CF)NC1CCCC1 270004a_100102880703_100000210133 [0,0,0,1,0,0|3,0,0]=4 4392 B10R1.27 C[C@H](CO)NC1CCCC1 2230a_100000737577_100000179811 [0,0,0,1,0,0|2,0,0]=3 4393 B10R1.27 C[C@H](CO)NC1CCCC1 270004a_100000737577_100000210133 [0,0,0,1,0,0|2,0,0]=3 4394 B10R1.27 C[C@H](CO)NC1CCOC1 2230a_100000737577_100000731011 [0,0,0,1,0,0|3,0,0]=4 4395 B10R1.27 C[C@H](CO)NC1CCOC1 270004a_100000737577_100000752484 [0,0,0,1,0,0|3,0,0]=4 4396 B10R1.27 C[C@H](CO)NC1CCSC1 270004a_100000737577_100000212027 [0,0,0,1,0,0|3,0,0]=4 4397 B10R1.27 C[C@H](CO)SC1CCCC1 62a_100011217020_100016084084 [0,0,0,1,0,0|2,0,0]=3 4398 B10R1.27 C[C@H](CO)SC1CCCC1 62a_100016084084_100000179811 [0,0,0,1,0,0|2,0,0]=3 4399 B10R1.27 C[C@H](CO)SC1CCOC1 62a_100016084084_100000690089 [0,0,0,1,0,0|3,0,0]=4 4400 B10R1.27 O=C(CF)CC1CCCC1 1458a_100000210891_100015361967 [0,0,0,1,0,0|1,0,2]=4 4401 B10R1.27 O=C(CO)CC1CCCC1 1458a_100000210174_100000740388 [0,0,0,1,0,0|0,0,2]=3 4402 B10R1.27 O=C(CO)CC1CCCO1 1458a_100000210174_100000203698 [0,0,0,1,0,0|1,0,2]=4 4403 B10R1.27 O=C(CO)CC1CCOC1 1458a_100000210174_100000702531 [0,0,0,1,0,0|1,0,2]=4 4404 B10R1.27 O=C(CO)NC1CCCC1 240690a_100000211070_100000210174 [0,0,0,1,0,0|1,0,2]=4 4405 B10R1.27 O=C(CO)NC1CCCC1 527a_100000211070_100000210174 [0,0,0,1,0,0|1,0,2]=4 4406 B10R1.27 OCC(O)CN1CCCC1 2230a_100000188435_100011219619 [0,0,0,1,0,0|1,0,0]=2 4407 B10R1.27 OCC(O)CN1CCSC1 2230a_100011215254_100011219619 [0,0,0,1,0,0|2,0,0]=3 4408 B10R1.27 OC[C@H](O)CN1CCCC1 2230a_100000188435_100009815848 [0,0,0,1,0,0|1,0,0]=2 4409 B10R1.27 OC[C@H](O)CN1CCSC1 2230a_100011215254_100009815848 [0,0,0,1,0,0|2,0,0]=3 4410 B10R1.27 O[C@@H](CF)CN1CCCC1 2230a_100000188435_100015614560 [0,0,0,1,0,0|2,0,0]=3 4411 B10R1.27 O[C@@H](CF)CN1CCSC1 2230a_100011215254_100015614560 [0,0,0,1,0,0|3,0,0]=4 4412 B10R1.37 CCCCCN1CCC1C 269982a_100000755817_100000210215 [0,0,0,1,0,0|3,0,0]=4 4413 B10R1.37 CCCCCN1CCC1C 34a_100000755817_100000718602 [0,0,0,1,0,0|3,0,0]=4 4414 B10R1.40 CCN1CCC[C@@]1(C)CO 2230a_100016195882_100000210202 [0,0,0,1,0,0|2,0,0]=3 4415 B10R1.40 CCN1CCC[C@@]1(C)CO 269982a_100016195882_100000204670 [0,0,0,1,0,0|2,0,0]=3 4416 B10R1.40 CCN1CCC[C@@]1(C)CO 34a_100016195882_100000210202 [0,0,0,1,0,0|2,0,0]=3 4417 B10R1.40 C[C@]1(CCCN1CF)CO 269982a_100016195882_100015361967 [0,0,0,1,0,0|3,0,0]=4 4418 B10R1.40 C[C@]1(CCCN1CF)CO 34a_100016195882_100015361967 [0,0,0,1,0,0|3,0,0]=4 4419 B10R1.56 CCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210326 [0,0,0,1,0,0|3,0,0]=4 4420 B10R1.56 CCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210326 [0,0,0,1,0,0|3,0,0]=4 4421 B10R1.56 CCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000718602 [0,0,0,1,0,0|3,0,0]=4 4422 B10R1.56 CCCCOCC1CC1C 34a_100000744939_100000210210 [0,0,0,1,0,0|3,0,0]=4 4423 B10R1.56 CCCCOCC1CC1C 7a_100000744939_100000210211 [0,0,0,1,0,0|3,0,0]=4 4424 B10R1.57 BrCCCCOC1COC1 34a_100011216708_100009818527 [0,0,0,1,0,0|3,0,0]=4 4425 B10R1.57 BrCCCOCC1CCO1 34a_100011217188_100000103362 [0,0,0,1,0,0|3,0,0]=4 4426 B10R1.57 BrCCCOCC1COC1 34a_100011217188_100010264016 [0,0,0,1,0,0|3,0,0]=4 4427 B10R1.57 CCCCCCN1CCC1 269982a_100000754969_100000210757 [0,0,0,1,0,0|3,0,0]=4 4428 B10R1.57 CCCCCNC1CCC1 2230a_100000749019_100000210326 [0,0,0,1,0,0|3,0,0]=4 4429 B10R1.57 CCCCCNC1CCC1 270004a_100000209983_100000241760 [0,0,0,1,0,0|3,0,0]=4 4430 B10R1.57 CCCCCNC1CCC1 34a_100000749019_100000718602 [0,0,0,1,0,0|3,0,0]=4 4431 B10R1.57 CCCCCNC1COC1 2230a_100016991112_100000210326 [0,0,0,1,0,0|2,0,0]=3 4432 B10R1.57 CCCCCOC1CCC1 34a_100000210253_100000749161 [0,0,0,1,0,0|3,0,0]=4 4433 B10R1.57 CCCCCOC1CCC1 34a_100000748187_100000718602 [0,0,0,1,0,0|3,0,0]=4 4434 B10R1.57 CCCCCOC1COC1 34a_100000210253_100009818527 [0,0,0,1,0,0|2,0,0]=3 4435 B10R1.57 CCCCCOC1COC1 7a_100000210253_100009818527 [0,0,0,1,0,0|2,0,0]=3 4436 B10R1.57 CCCCCOC1CSC1 7a_100000072292_100000210326 [0,0,0,1,0,0|2,1,0]=4 4437 B10R1.57 CCCCCSC1CCC1 62a_100000210326_100000749161 [0,0,0,1,0,0|3,0,0]=4 4438 B10R1.57 CCCCCSC1COC1 62a_100000210326_100009818527 [0,0,0,1,0,0|2,0,0]=3 4439 B10R1.57 CCCCNCC1CCC1 2230a_100000102301_100000763275 [0,0,0,1,0,0|3,0,0]=4 4440 B10R1.57 CCCCNCC1CCC1 2230a_100000738700_100000210211 [0,0,0,1,0,0|3,0,0]=4 4441 B10R1.57 CCCCNCC1CCC1 269862a_100000102301_100000753134 [0,0,0,1,0,0|3,0,0]=4 4442 B10R1.57 CCCCNCC1CCC1 34a_100000738700_100000210210 [0,0,0,1,0,0|3,0,0]=4 4443 B10R1.57 CCCCNCC1CCC1 7a_106832991798_100000763275 [0,0,0,1,0,0|3,0,0]=4 4444 B10R1.57 CCCCNCC1CCO1 2230a_100000102301_100000103362 [0,0,0,1,0,0|2,0,0]=3 4445 B10R1.57 CCCCNCC1CCO1 7a_106832991798_100000103362 [0,0,0,1,0,0|2,0,0]=3 4446 B10R1.57 CCCCNCC1COC1 2230a_100000102301_100010264016 [0,0,0,1,0,0|2,0,0]=3 4447 B10R1.57 CCCCNCC1COC1 2230a_100015281925_100000210211 [0,0,0,1,0,0|2,0,0]=3 4448 B10R1.57 CCCCNCC1COC1 34a_100015281925_100000210210 [0,0,0,1,0,0|2,0,0]=3 4449 B10R1.57 CCCCNCC1COC1 7a_106832991798_100010264016 [0,0,0,1,0,0|2,0,0]=3 4450 B10R1.57 CCCCNC[C@@H]1CCO1 2230a_100020831831_100000210211 [0,0,0,1,0,0|2,0,0]=3 4451 B10R1.57 CCCCNC[C@@H]1CCO1 34a_100020831831_100000210210 [0,0,0,1,0,0|2,0,0]=3 4452 B10R1.57 CCCCOCC1CCC1 34a_100000210227_100000763275 [0,0,0,1,0,0|3,0,0]=4 4453 B10R1.57 CCCCOCC1CCC1 34a_100000760304_100000210210 [0,0,0,1,0,0|3,0,0]=4 4454 B10R1.57 CCCCOCC1CCC1 7a_100000210227_100000763275 [0,0,0,1,0,0|3,0,0]=4 4455 B10R1.57 CCCCOCC1CCO1 34a_100000039022_100000210210 [0,0,0,1,0,0|2,0,0]=3 4456 B10R1.57 CCCCOCC1CCO1 34a_100000210227_100000103362 [0,0,0,1,0,0|2,0,0]=3 4457 B10R1.57 CCCCOCC1CCO1 7a_100000210227_100000103362 [0,0,0,1,0,0|2,0,0]=3 4458 B10R1.57 CCCCOCC1CNC1 34a_100016987283_100000210210 [0,0,0,1,0,0|3,0,0]=4 4459 B10R1.57 CCCCOCC1COC1 34a_100000060846_100000210210 [0,0,0,1,0,0|2,0,0]=3 4460 B10R1.57 CCCCOCC1COC1 34a_100000210227_100010264016 [0,0,0,1,0,0|2,0,0]=3 4461 B10R1.57 CCCCOCC1COC1 7a_100000210227_100010264016 [0,0,0,1,0,0|2,0,0]=3 4462 B10R1.57 CCCCSCC1CCC1 62a_100000210211_100000763275 [0,0,0,1,0,0|3,0,0]=4 4463 B10R1.57 CCCCSCC1CCC1 62a_100000763275_100000210210 [0,0,0,1,0,0|3,0,0]=4 4464 B10R1.57 CCCCSCC1CCO1 62a_100000103362_100000210210 [0,0,0,1,0,0|2,0,0]=3 4465 B10R1.57 CCCCSCC1CCO1 62a_100000210211_100000103362 [0,0,0,1,0,0|2,0,0]=3 4466 B10R1.57 CCCCSCC1COC1 62a_100000210211_100010264016 [0,0,0,1,0,0|2,0,0]=3 4467 B10R1.57 CCCCSCC1COC1 62a_100010264016_100000210210 [0,0,0,1,0,0|2,0,0]=3 4468 B10R1.57 CCCOCCC1COC1 34a_100009855314_100000210303 [0,0,0,1,0,0|2,0,0]=3 4469 B10R1.57 CCOCCNC1COC1 2230a_100016991112_100011215890 [0,0,0,1,0,0|3,0,0]=4 4470 B10R1.57 CCOCCNC1COC1 34a_102516460346_100009818527 [0,0,0,1,0,0|3,0,0]=4 4471 B10R1.57 CCOCCOC1COC1 34a_100000210136_100009818527 [0,0,0,1,0,0|3,0,0]=4 4472 B10R1.57 CCOCCOC1COC1 7a_100000210136_100009818527 [0,0,0,1,0,0|3,0,0]=4 4473 B10R1.57 CCOCCSC1COC1 62a_100000210147_100009818527 [0,0,0,1,0,0|3,0,0]=4 4474 B10R1.57 CCOCSCC1CCO1 62a_100000103362_100000739092 [0,0,0,1,0,0|3,0,0]=4 4475 B10R1.57 CCOCSCC1CCO1 62a_100000739092_100000103362 [0,0,0,1,0,0|3,0,0]=4 4476 B10R1.57 CCOCSCC1COC1 62a_100000739092_100010264016 [0,0,0,1,0,0|3,0,0]=4 4477 B10R1.57 CCOCSCC1COC1 62a_100010264016_100000739092 [0,0,0,1,0,0|3,0,0]=4 4478 B10R1.57 CCSCCNC1COC1 2230a_100016991112_100000757381 [0,0,0,1,0,0|3,0,0]=4 4479 B10R1.57 CCSCCOC1COC1 34a_100000212035_100009818527 [0,0,0,1,0,0|3,0,0]=4 4480 B10R1.57 CCSCCOC1COC1 7a_100000212035_100009818527 [0,0,0,1,0,0|3,0,0]=4 4481 B10R1.57 CCSCCSC1COC1 62a_100000757381_100009818527 [0,0,0,1,0,0|3,0,0]=4 4482 B10R1.57 CNCCCOC1COC1 34a_100000213112_100009818527 [0,0,0,1,0,0|3,0,0]=4 4483 B10R1.57 COCCCNC1COC1 2230a_100016991112_100000740836 [0,0,0,1,0,0|3,0,0]=4 4484 B10R1.57 COCCCNC1COC1 34a_100150723488_100009818527 [0,0,0,1,0,0|3,0,0]=4 4485 B10R1.57 COCCCOC1COC1 34a_100000740835_100009818527 [0,0,0,1,0,0|3,0,0]=4 4486 B10R1.57 COCCCSC1COC1 62a_100000709357_100009818527 [0,0,0,1,0,0|3,0,0]=4 4487 B10R1.57 COCCNCC1CCO1 2230a_100000209980_100000103362 [0,0,0,1,0,0|3,0,0]=4 4488 B10R1.57 COCCNCC1COC1 2230a_100000209980_100010264016 [0,0,0,1,0,0|3,0,0]=4 4489 B10R1.57 COCCNCC1COC1 2230a_100015281925_100011201679 [0,0,0,1,0,0|3,0,0]=4 4490 B10R1.57 COCCNCC1COC1 34a_100015281925_100011201679 [0,0,0,1,0,0|3,0,0]=4 4491 B10R1.57 COCCNC[C@@H]1CCO1 2230a_100020831831_100011201679 [0,0,0,1,0,0|3,0,0]=4 4492 B10R1.57 COCCNC[C@@H]1CCO1 34a_100020831831_100011201679 [0,0,0,1,0,0|3,0,0]=4 4493 B10R1.57 COCCOCC1CCO1 34a_100000039022_100011201679 [0,0,0,1,0,0|3,0,0]=4 4494 B10R1.57 COCCOCC1CCO1 34a_100000210237_100000103362 [0,0,0,1,0,0|3,0,0]=4 4495 B10R1.57 COCCOCC1COC1 34a_100000060846_100011201679 [0,0,0,1,0,0|3,0,0]=4 4496 B10R1.57 COCCOCC1COC1 34a_100000210237_100010264016 [0,0,0,1,0,0|3,0,0]=4 4497 B10R1.57 COCCSCC1CCO1 62a_100000103362_100000233755 [0,0,0,1,0,0|3,0,0]=4 4498 B10R1.57 COCCSCC1CCO1 62a_100000233755_100000103362 [0,0,0,1,0,0|3,0,0]=4 4499 B10R1.57 COCCSCC1COC1 62a_100000233755_100010264016 [0,0,0,1,0,0|3,0,0]=4 4500 B10R1.57 COCCSCC1COC1 62a_100010264016_100000233755 [0,0,0,1,0,0|3,0,0]=4 4501 B10R1.57 CSCCCOC1COC1 34a_100000690336_100009818527 [0,0,0,1,0,0|3,0,0]=4 4502 B10R1.57 CSCCCOC1COC1 7a_100000690336_100009818527 [0,0,0,1,0,0|3,0,0]=4 4503 B10R1.57 CSCCNCC1CCO1 2230a_100020590264_100000103362 [0,0,0,1,0,0|3,0,0]=4 4504 B10R1.57 CSCCNCC1COC1 2230a_100015281925_100000751147 [0,0,0,1,0,0|3,0,0]=4 4505 B10R1.57 CSCCNCC1COC1 2230a_100020590264_100010264016 [0,0,0,1,0,0|3,0,0]=4 4506 B10R1.57 CSCCNCC1COC1 34a_100015281925_100000212216 [0,0,0,1,0,0|3,0,0]=4 4507 B10R1.57 CSCCNC[C@@H]1CCO1 2230a_100020831831_100000751147 [0,0,0,1,0,0|3,0,0]=4 4508 B10R1.57 CSCCNC[C@@H]1CCO1 34a_100020831831_100000212216 [0,0,0,1,0,0|3,0,0]=4 4509 B10R1.57 CSCCOCC1CCO1 34a_100000039022_100000212216 [0,0,0,1,0,0|3,0,0]=4 4510 B10R1.57 CSCCOCC1CCO1 34a_100000230434_100000103362 [0,0,0,1,0,0|3,0,0]=4 4511 B10R1.57 CSCCOCC1CCO1 7a_100000230434_100000103362 [0,0,0,1,0,0|3,0,0]=4 4512 B10R1.57 CSCCOCC1COC1 34a_100000060846_100000212216 [0,0,0,1,0,0|3,0,0]=4 4513 B10R1.57 CSCCOCC1COC1 34a_100000230434_100010264016 [0,0,0,1,0,0|3,0,0]=4 4514 B10R1.57 CSCCOCC1COC1 7a_100000230434_100010264016 [0,0,0,1,0,0|3,0,0]=4 4515 B10R1.57 CSCCSCC1CCO1 62a_100000103362_100000751147 [0,0,0,1,0,0|3,0,0]=4 4516 B10R1.57 CSCCSCC1CCO1 62a_100000212216_100000103362 [0,0,0,1,0,0|3,0,0]=4 4517 B10R1.57 CSCCSCC1COC1 62a_100000212216_100010264016 [0,0,0,1,0,0|3,0,0]=4 4518 B10R1.57 CSCCSCC1COC1 62a_100010264016_100000751147 [0,0,0,1,0,0|3,0,0]=4 4519 B10R1.57 CSCOCCC1COC1 34a_100009855314_100011218213 [0,0,0,1,0,0|3,0,0]=4 4520 B10R1.57 ClCCCCOC1COC1 34a_100000210776_100009818527 [0,0,0,1,0,0|3,0,0]=4 4521 B10R1.57 ClCCCCOC1COC1 7a_100000210776_100009818527 [0,0,0,1,0,0|3,0,0]=4 4522 B10R1.57 ClCCCOCC1CCO1 34a_100000230001_100000103362 [0,0,0,1,0,0|3,0,0]=4 4523 B10R1.57 ClCCCOCC1COC1 34a_100000230001_100010264016 [0,0,0,1,0,0|3,0,0]=4 4524 B10R1.57 FCCCCNC1COC1 2230a_100016991112_100000729493 [0,0,0,1,0,0|3,0,0]=4 4525 B10R1.57 FCCCCOC1COC1 34a_100011995726_100009818527 [0,0,0,1,0,0|3,0,0]=4 4526 B10R1.57 FCCCCOC1COC1 7a_100011995726_100009818527 [0,0,0,1,0,0|3,0,0]=4 4527 B10R1.57 FCCCCSC1COC1 62a_100000729493_100009818527 [0,0,0,1,0,0|3,0,0]=4 4528 B10R1.57 FCCCNCC1CCO1 2230a_100015189416_100000103362 [0,0,0,1,0,0|3,0,0]=4 4529 B10R1.57 FCCCNCC1CCO1 34a_100015189416_100000103362 [0,0,0,1,0,0|3,0,0]=4 4530 B10R1.57 FCCCNCC1COC1 2230a_100015189416_100010264016 [0,0,0,1,0,0|3,0,0]=4 4531 B10R1.57 FCCCNCC1COC1 2230a_100015281925_100011934791 [0,0,0,1,0,0|3,0,0]=4 4532 B10R1.57 FCCCNCC1COC1 34a_100015189416_100010264016 [0,0,0,1,0,0|3,0,0]=4 4533 B10R1.57 FCCCNCC1COC1 34a_100015281925_100011934791 [0,0,0,1,0,0|3,0,0]=4 4534 B10R1.57 FCCCNC[C@@H]1CCO1 2230a_100020831831_100011934791 [0,0,0,1,0,0|3,0,0]=4 4535 B10R1.57 FCCCNC[C@@H]1CCO1 34a_100020831831_100011934791 [0,0,0,1,0,0|3,0,0]=4 4536 B10R1.57 FCCCOCC1CCO1 34a_100000039022_100011934791 [0,0,0,1,0,0|3,0,0]=4 4537 B10R1.57 FCCCOCC1CCO1 34a_100000759539_100000103362 [0,0,0,1,0,0|3,0,0]=4 4538 B10R1.57 FCCCOCC1COC1 34a_100000060846_100011934791 [0,0,0,1,0,0|3,0,0]=4 4539 B10R1.57 FCCCOCC1COC1 34a_100000759539_100010264016 [0,0,0,1,0,0|3,0,0]=4 4540 B10R1.57 FCCCSCC1CCO1 62a_100000103362_100011934791 [0,0,0,1,0,0|3,0,0]=4 4541 B10R1.57 FCCCSCC1CCO1 62a_100011934791_100000103362 [0,0,0,1,0,0|3,0,0]=4 4542 B10R1.57 FCCCSCC1COC1 62a_100010264016_100011934791 [0,0,0,1,0,0|3,0,0]=4 4543 B10R1.57 FCCCSCC1COC1 62a_100011934791_100010264016 [0,0,0,1,0,0|3,0,0]=4 4544 B10R1.57 FCCOCCC1COC1 34a_100009855314_100011217306 [0,0,0,1,0,0|3,0,0]=4 4545 B10R1.57 ICCCCOC1COC1 34a_200012148704_100009818527 [0,0,0,1,0,0|3,0,0]=4 4546 B10R1.57 NCCCCOC1COC1 34a_100000750430_100009818527 [0,0,0,1,0,0|3,0,0]=4 4547 B10R1.57 NCCCOCC1CCO1 34a_100000182051_100000103362 [0,0,0,1,0,0|3,0,0]=4 4548 B10R1.57 NCCCOCC1COC1 34a_100000182051_100010264016 [0,0,0,1,0,0|3,0,0]=4 4549 B10R1.57 OCCCCNC1COC1 2230a_100016991112_100000210776 [0,0,0,1,0,0|3,0,0]=4 4550 B10R1.57 OCCCCNC1COC1 34a_100000750430_100009818527 [0,0,0,1,0,0|3,0,0]=4 4551 B10R1.57 OCCCCSC1COC1 62a_100000210776_100009818527 [0,0,0,1,0,0|3,0,0]=4 4552 B10R1.57 OCCCNCC1COC1 2230a_100015281925_100000230001 [0,0,0,1,0,0|3,0,0]=4 4553 B10R1.57 OCCCNCC1COC1 34a_100015281925_100000230001 [0,0,0,1,0,0|3,0,0]=4 4554 B10R1.57 OCCCNC[C@@H]1CCO1 2230a_100020831831_100000230001 [0,0,0,1,0,0|3,0,0]=4 4555 B10R1.57 OCCCNC[C@@H]1CCO1 34a_100020831831_100000230001 [0,0,0,1,0,0|3,0,0]=4 4556 B10R1.57 OCCCOCC1CCO1 34a_100000039022_100000230001 [0,0,0,1,0,0|3,0,0]=4 4557 B10R1.57 OCCCOCC1COC1 34a_100000060846_100000230001 [0,0,0,1,0,0|3,0,0]=4 4558 B10R1.57 OCCCSCC1CCO1 62a_100000103362_100011215043 [0,0,0,1,0,0|3,0,0]=4 4559 B10R1.57 OCCCSCC1CCO1 62a_100011215043_100000103362 [0,0,0,1,0,0|3,0,0]=4 4560 B10R1.57 OCCCSCC1COC1 62a_100010264016_100011215043 [0,0,0,1,0,0|3,0,0]=4 4561 B10R1.57 OCCCSCC1COC1 62a_100011215043_100010264016 [0,0,0,1,0,0|3,0,0]=4 4562 B10R1.57 OCCOCCC1COC1 34a_100009855314_100000211926 [0,0,0,1,0,0|3,0,0]=4 4563 B10R1.70 CC1(CO1)CNCCCF 34a_100015189416_100000760498 [0,0,0,1,0,0|3,0,0]=4 4564 B10R1.70 CC1(CO1)COCCCBr 34a_100011217188_100000760498 [0,0,0,1,0,0|3,0,0]=4 4565 B10R1.70 CC1(CO1)COCCCCl 34a_100000230001_100000760498 [0,0,0,1,0,0|3,0,0]=4 4566 B10R1.70 CC1(CO1)COCCCF 34a_100000759539_100000760498 [0,0,0,1,0,0|3,0,0]=4 4567 B10R1.70 CC1(CO1)COCCCN 34a_100000182051_100000760498 [0,0,0,1,0,0|3,0,0]=4 4568 B10R1.70 CC1(CO1)CSCCCF 62a_100000760498_100011934791 [0,0,0,1,0,0|3,0,0]=4 4569 B10R1.70 CC1(CO1)CSCCCF 62a_100011934791_100000760498 [0,0,0,1,0,0|3,0,0]=4 4570 B10R1.70 CC1(CO1)CSCCCO 62a_100000760498_100011215043 [0,0,0,1,0,0|3,0,0]=4 4571 B10R1.70 CC1(CO1)CSCCCO 62a_100011215043_100000760498 [0,0,0,1,0,0|3,0,0]=4 4572 B10R1.70 CCCCCNC1(CC1)C 2230a_100000757604_100000210326 [0,0,0,1,0,0|3,0,0]=4 4573 B10R1.70 CCCCCOC1(CC1)C 7a_100011725673_100000210326 [0,0,0,1,0,0|3,0,0]=4 4574 B10R1.70 CCCCNCC1(CC1)C 2230a_100000766693_100000210211 [0,0,0,1,0,0|3,0,0]=4 4575 B10R1.70 CCCCNCC1(CC1)O 2230a_100011936951_100000210211 [0,0,0,1,0,0|2,0,0]=3 4576 B10R1.70 CCCCOCC1(CC1)C 7a_100000698024_100000210211 [0,0,0,1,0,0|3,0,0]=4 4577 B10R1.70 CCCCOCC1(CC1)F 34a_200000703853_100000210210 [0,0,0,1,0,0|3,0,0]=4 4578 B10R1.70 CCCCOCC1(CC1)F 7a_200000703853_100000210211 [0,0,0,1,0,0|3,0,0]=4 4579 B10R1.70 CCCCOCC1(CO1)C 34a_100000210227_100000760498 [0,0,0,1,0,0|2,0,0]=3 4580 B10R1.70 CCCCSCC1(CO1)C 62a_100000210211_100000760498 [0,0,0,1,0,0|2,0,0]=3 4581 B10R1.70 CCCCSCC1(CO1)C 62a_100000760498_100000210210 [0,0,0,1,0,0|2,0,0]=3 4582 B10R1.70 CCOCSCC1(CO1)C 62a_100000739092_100000760498 [0,0,0,1,0,0|3,0,0]=4 4583 B10R1.70 CCOCSCC1(CO1)C 62a_100000760498_100000739092 [0,0,0,1,0,0|3,0,0]=4 4584 B10R1.70 COCCNCC1(CC1)O 2230a_100011936951_100011201679 [0,0,0,1,0,0|3,0,0]=4 4585 B10R1.70 COCCOCC1(CO1)C 34a_100000210237_100000760498 [0,0,0,1,0,0|3,0,0]=4 4586 B10R1.70 COCCSCC1(CO1)C 62a_100000233755_100000760498 [0,0,0,1,0,0|3,0,0]=4 4587 B10R1.70 COCCSCC1(CO1)C 62a_100000760498_100000233755 [0,0,0,1,0,0|3,0,0]=4 4588 B10R1.70 CSCCNCC1(CC1)O 2230a_100011936951_100000751147 [0,0,0,1,0,0|3,0,0]=4 4589 B10R1.70 CSCCOCC1(CO1)C 34a_100000230434_100000760498 [0,0,0,1,0,0|3,0,0]=4 4590 B10R1.70 CSCCSCC1(CO1)C 62a_100000212216_100000760498 [0,0,0,1,0,0|3,0,0]=4 4591 B10R1.70 CSCCSCC1(CO1)C 62a_100000760498_100000751147 [0,0,0,1,0,0|3,0,0]=4 4592 B10R1.70 OC1(CC1)CNCCCF 2230a_100011936951_100011934791 [0,0,0,1,0,0|3,0,0]=4 4593 B10R1.70 OCCCNCC1(CC1)O 2230a_100011936951_100000230001 [0,0,0,1,0,0|3,0,0]=4 4594 B10R1.78 CN1CCCCCCCC1 2230a_100000039187_200000210301 [0,0,0,1,0,0|3,0,0]=4 4595 B10R1.78 CN1CCCCCCCC1 269982a_100000039187_200000210301 [0,0,0,1,0,0|3,0,0]=4 4596 B10R1.78 CN1CCCCCCCC1 34a_100000039187_200000210301 [0,0,0,1,0,0|3,0,0]=4 4597 B10R1.78 [13CH3]N1CCCCCCCC1 2230a_100000039187_200025704644 [0,0,0,1,0,0|3,0,0]=4 4598 B10R1.78 [13CH3]N1CCCCCCCC1 269982a_100000039187_200025704644 [0,0,0,1,0,0|3,0,0]=4 4599 B10R1.78 [13CH3]N1CCCCCCCC1 34a_100000039187_200025704644 [0,0,0,1,0,0|3,0,0]=4 4600 B10R1.96 CCCC1CCC(C1)NC 270004a_106832991635_200012087856 [0,0,0,1,0,0|3,0,0]=4 4601 B10R1.96 CCCN1CCC(C1)CO 2230a_100000748654_100000210303 [0,0,0,1,0,0|2,0,0]=3 4602 B10R1.96 CCCN1CCC(C1)CO 269982a_100000748654_100000210303 [0,0,0,1,0,0|2,0,0]=3 4603 B10R1.96 CCCN1CCC(C1)CO 34a_100000748654_100000210303 [0,0,0,1,0,0|2,0,0]=3 4604 B10R1.96 CCNC1CCC(C1)CC 270004a_100015525214_100011218773 [0,0,0,1,0,0|3,0,0]=4 4605 B10R1.96 CNC[C@@H]1CC[C@@H](C1)CO 34a_206354213956_200000210301 [0,0,0,1,0,0|2,0,0]=3 4606 B10R1.96 COCN1CCC(C1)CO 2230a_100000748654_100000766300 [0,0,0,1,0,0|3,0,0]=4 4607 B10R1.96 COCN1CCC(C1)CO 269982a_100000748654_100000766300 [0,0,0,1,0,0|3,0,0]=4 4608 B10R1.96 COC[C@H]1CC[C@H](C1)CN 34a_206354213956_200000210301 [0,0,0,1,0,0|3,0,0]=4 4609 B10R1.96 CSCN1CCC(C1)CO 2230a_100000748654_100011218213 [0,0,0,1,0,0|3,0,0]=4 4610 B10R1.96 CSCN1CCC(C1)CO 269982a_100000748654_100011218213 [0,0,0,1,0,0|3,0,0]=4 4611 B10R1.96 CSCN1CCC(C1)CO 34a_100000748654_100011218213 [0,0,0,1,0,0|3,0,0]=4 4612 B10R1.96 OCC1CCN(C1)CCF 2230a_100000748654_100011217306 [0,0,0,1,0,0|3,0,0]=4 4613 B10R1.96 OCC1CCN(C1)CCF 269982a_100000748654_100011217306 [0,0,0,1,0,0|3,0,0]=4 4614 B10R1.96 OCC1CCN(C1)CCF 34a_100000748654_100011217306 [0,0,0,1,0,0|3,0,0]=4 4615 B10R1.96 OCCN1CCC(C1)CO 2230a_100000748654_100000211926 [0,0,0,1,0,0|3,0,0]=4 4616 B10R1.96 OCCN1CCC(C1)CO 269982a_100000748654_100000211926 [0,0,0,1,0,0|3,0,0]=4 4617 B10R1.96 OCCN1CCC(C1)CO 34a_100000748654_100000211926 [0,0,0,1,0,0|3,0,0]=4 4618 B10R1.96 [13CH3]NC[C@@H]1CC[C@@H](C1)CO 34a_206354213956_200025704644 [0,0,0,1,0,0|2,0,0]=3 4619 B10R1.96 [13CH3]OC[C@H]1CC[C@H](C1)CN 34a_206354213956_200025704644 [0,0,0,1,0,0|3,0,0]=4 4620 B10R1.143 CCCCN1CC(C1)CC 2230a_100015205115_100000210211 [0,0,0,1,0,0|3,0,0]=4 4621 B10R1.143 CCCCN1CC(C1)CC 269982a_100015205115_100000210211 [0,0,0,1,0,0|3,0,0]=4 4622 B10R1.143 CCCCN1CC(C1)CF 269982a_100010363649_100000210211 [0,0,0,1,0,0|3,0,0]=4 4623 B10R1.143 CCCCN1CC(C1)CF 34a_100010363649_100000210210 [0,0,0,1,0,0|3,0,0]=4 4624 B10R1.143 CCCCN1CC(C1)CO 269982a_100016987283_100000210211 [0,0,0,1,0,0|2,0,0]=3 4625 B10R1.143 CCCCN1CC(C1)CO 34a_100016987283_100000210210 [0,0,0,1,0,0|2,0,0]=3 4626 B10R1.143 CCCNC1CC(C1)CO 270004a_100020643023_100000101936 [0,0,0,1,0,0|2,0,0]=3 4627 B10R1.143 CCCSC1CC(C1)CO 62a_100000210303_100009874164 [0,0,0,1,0,0|2,0,0]=3 4628 B10R1.143 CCCSC1CC(C1)CO 62a_100009874164_100000210303 [0,0,0,1,0,0|2,0,0]=3 4629 B10R1.143 CCOCN1CC(C1)CO 269982a_100016987283_100000739092 [0,0,0,1,0,0|3,0,0]=4 4630 B10R1.143 COCCN1CC(C1)CO 269982a_100016987283_100000233755 [0,0,0,1,0,0|3,0,0]=4 4631 B10R1.143 COCCN1CC(C1)CO 34a_100016987283_100011201679 [0,0,0,1,0,0|3,0,0]=4 4632 B10R1.143 COCSC1CC(C1)CO 62a_100000766300_100009874164 [0,0,0,1,0,0|3,0,0]=4 4633 B10R1.143 COCSC1CC(C1)CO 62a_100009874164_100000766300 [0,0,0,1,0,0|3,0,0]=4 4634 B10R1.143 CSCCN1CC(C1)CO 269982a_100016987283_100000212216 [0,0,0,1,0,0|3,0,0]=4 4635 B10R1.143 CSCCN1CC(C1)CO 34a_100016987283_100000212216 [0,0,0,1,0,0|3,0,0]=4 4636 B10R1.143 CSCSC1CC(C1)CO 62a_100009874164_100011218213 [0,0,0,1,0,0|3,0,0]=4 4637 B10R1.143 CSCSC1CC(C1)CO 62a_100011218213_100009874164 [0,0,0,1,0,0|3,0,0]=4 4638 B10R1.143 OCC1CC(C1)SCCF 62a_100009874164_100011217306 [0,0,0,1,0,0|3,0,0]=4 4639 B10R1.143 OCC1CC(C1)SCCF 62a_100011217306_100009874164 [0,0,0,1,0,0|3,0,0]=4 4640 B10R1.143 OCC1CN(C1)CCCF 269982a_100016987283_100011934791 [0,0,0,1,0,0|3,0,0]=4 4641 B10R1.143 OCC1CN(C1)CCCF 34a_100016987283_100011934791 [0,0,0,1,0,0|3,0,0]=4 4642 B10R1.143 OCCCN1CC(C1)CO 269982a_100016987283_100011215043 [0,0,0,1,0,0|3,0,0]=4 4643 B10R1.143 OCCCN1CC(C1)CO 34a_100016987283_100000230001 [0,0,0,1,0,0|3,0,0]=4 4644 B10R1.143 OCCNC1CC(C1)CO 270004a_100000210304_100000101936 [0,0,0,1,0,0|3,0,0]=4 4645 B10R1.143 OCCSC1CC(C1)CO 62a_100000211926_100009874164 [0,0,0,1,0,0|3,0,0]=4 4646 B10R1.143 OCCSC1CC(C1)CO 62a_100009874164_100000211926 [0,0,0,1,0,0|3,0,0]=4 4647 B10R1.149 CC(CO)N1CCC[C@@H]1C 2230a_100020605311_100012180447 [0,0,0,1,0,0|2,0,0]=3 4648 B10R1.149 CC(CO)N1CCC[C@H]1C 2230a_100015189458_100012180447 [0,0,0,1,0,0|2,0,0]=3 4649 B10R1.149 CC(CO)N1CCC[C@H]1C 34a_100015189458_100012180447 [0,0,0,1,0,0|2,0,0]=3 4650 B10R1.149 CC(CO)N1CCSC1C 2230a_200011216479_100012180447 [0,0,0,1,0,0|3,0,0]=4 4651 B10R1.149 CC(CO)N1CCSC1C 34a_200011216479_100012180447 [0,0,0,1,0,0|3,0,0]=4 4652 B10R1.149 CC1CCCC1C(=O)CF 1458a_100000690547_100015361967 [0,0,0,1,0,0|1,0,2]=4 4653 B10R1.149 CC1SCCN1[C@H](C)CO 269982a_200011216479_100016084084 [0,0,0,1,0,0|3,0,0]=4 4654 B10R1.149 CCC(=O)C1CCCC1C 1458a_100000690547_100000210202 [0,0,0,1,0,0|1,0,2]=4 4655 B10R1.149 CCC(C)N1CCC[C@@H]1C 2230a_100020605311_100000758301 [0,0,0,1,0,0|3,0,0]=4 4656 B10R1.149 CCC(C)N1CCC[C@@H]1C 269982a_100020605311_100000758301 [0,0,0,1,0,0|3,0,0]=4 4657 B10R1.149 CCC(C)N1CCC[C@H]1C 2230a_100015189458_100000758301 [0,0,0,1,0,0|3,0,0]=4 4658 B10R1.149 CCC(C)N1CCC[C@H]1C 269982a_100015189458_100000758301 [0,0,0,1,0,0|3,0,0]=4 4659 B10R1.149 CCC(C)N1CCC[C@H]1C 34a_100015189458_100011215416 [0,0,0,1,0,0|3,0,0]=4 4660 B10R1.149 C[C@@H]1CCCN1C(=O)CO 240690a_100015189458_100000210174 [0,0,0,1,0,0|1,0,2]=4 4661 B10R1.149 C[C@@H]1CCCN1C(=O)CO 527a_100015189458_100000210174 [0,0,0,1,0,0|1,0,2]=4 4662 B10R1.149 C[C@H](CO)N1CCC[C@@H]1C 269982a_100020605311_100016084084 [0,0,0,1,0,0|2,0,0]=3 4663 B10R1.149 C[C@H](CO)N1CCC[C@H]1C 269982a_100015189458_100016084084 [0,0,0,1,0,0|2,0,0]=3 4664 B10R1.149 C[C@H]1CCCN1C(=O)CO 240690a_100020605311_100000210174 [0,0,0,1,0,0|1,0,2]=4 4665 B10R1.149 C[C@H]1CCCN1C(=O)CO 527a_100020605311_100000210174 [0,0,0,1,0,0|1,0,2]=4 4666 B10R1.151 C=CC(O)CNC1CCC1 2230a_100000749019_100000730141 [0,0,0,1,0,0|2,0,1]=4 4667 B10R1.151 C=CC(O)CNC1CCC1 34a_100000749019_100000730141 [0,0,0,1,0,0|2,0,1]=4 4668 B10R1.151 C=CC(O)COC1CCC1 34a_100000748187_100000730141 [0,0,0,1,0,0|2,0,1]=4 4669 B10R1.151 C=CC(O)CSC1CCC1 62a_100000730141_100000749161 [0,0,0,1,0,0|2,0,1]=4 4670 B10R1.151 CC(CF)OCC1CCC1 34a_100016041109_100000763275 [0,0,0,1,0,0|3,0,0]=4 4671 B10R1.151 CC(CF)OCC1CCC1 7a_100016041109_100000763275 [0,0,0,1,0,0|3,0,0]=4 4672 B10R1.151 CC(CN)COC1CCC1 34a_100000744482_100000749161 [0,0,0,1,0,0|3,0,0]=4 4673 B10R1.151 CC(CN)OCC1CCC1 34a_100000210904_100000763275 [0,0,0,1,0,0|3,0,0]=4 4674 B10R1.151 CC(CO)CNC1CCC1 34a_100000744482_100000749161 [0,0,0,1,0,0|2,0,0]=3 4675 B10R1.151 CC(CO)CNC1COC1 34a_100000744482_100009818527 [0,0,0,1,0,0|3,0,0]=4 4676 B10R1.151 CC(CO)NCC1CCC1 2230a_100000738700_100012180447 [0,0,0,1,0,0|2,0,0]=3 4677 B10R1.151 CC(CO)NCC1CCC1 34a_100000738700_100012180447 [0,0,0,1,0,0|2,0,0]=3 4678 B10R1.151 CC(CO)NCC1COC1 2230a_100015281925_100012180447 [0,0,0,1,0,0|3,0,0]=4 4679 B10R1.151 CC(CO)NCC1COC1 34a_100015281925_100012180447 [0,0,0,1,0,0|3,0,0]=4 4680 B10R1.151 CC(CO)NC[C@@H]1CCO1 2230a_100020831831_100012180447 [0,0,0,1,0,0|3,0,0]=4 4681 B10R1.151 CC(CO)NC[C@@H]1CCO1 34a_100020831831_100012180447 [0,0,0,1,0,0|3,0,0]=4 4682 B10R1.151 CC(CO)OCC1CCC1 34a_100000760304_100012180447 [0,0,0,1,0,0|2,0,0]=3 4683 B10R1.151 CC(CO)OCC1CCO1 34a_100000039022_100012180447 [0,0,0,1,0,0|3,0,0]=4 4684 B10R1.151 CC(CO)OCC1CNC1 34a_100016987283_100012180447 [0,0,0,1,0,0|3,0,0]=4 4685 B10R1.151 CC(CO)OCC1COC1 34a_100000060846_100012180447 [0,0,0,1,0,0|3,0,0]=4 4686 B10R1.151 CC(CO)SCC1CCC1 62a_100012180447_100000763275 [0,0,0,1,0,0|2,0,0]=3 4687 B10R1.151 CC(CO)SCC1CCO1 62a_100012180447_100000103362 [0,0,0,1,0,0|3,0,0]=4 4688 B10R1.151 CC(CO)SCC1COC1 62a_100012180447_100010264016 [0,0,0,1,0,0|3,0,0]=4 4689 B10R1.151 CCC(C)CNC1CCC1 2230a_100000749019_100000748023 [0,0,0,1,0,0|3,0,0]=4 4690 B10R1.151 CCC(C)CNC1CCC1 270004a_100020588543_100000241760 [0,0,0,1,0,0|3,0,0]=4 4691 B10R1.151 CCC(C)CNC1CCC1 34a_100000749019_100000748023 [0,0,0,1,0,0|3,0,0]=4 4692 B10R1.151 CCC(C)COC1CCC1 34a_100000748187_100000748023 [0,0,0,1,0,0|3,0,0]=4 4693 B10R1.151 CCC(C)CSC1CCC1 62a_100000748023_100000749161 [0,0,0,1,0,0|3,0,0]=4 4694 B10R1.151 CCC(C)NCC1CCC1 2230a_100000209981_100000763275 [0,0,0,1,0,0|3,0,0]=4 4695 B10R1.151 CCC(C)NCC1CCC1 2230a_100000738700_100000758301 [0,0,0,1,0,0|3,0,0]=4 4696 B10R1.151 CCC(C)NCC1CCC1 269862a_100000209981_100000753134 [0,0,0,1,0,0|3,0,0]=4 4697 B10R1.151 CCC(C)NCC1CCC1 34a_100000738700_100011215416 [0,0,0,1,0,0|3,0,0]=4 4698 B10R1.151 CCC(C)OCC1CCC1 34a_100000760304_100011215416 [0,0,0,1,0,0|3,0,0]=4 4699 B10R1.151 CCC(C)OCC1CCC1 7a_100000210228_100000763275 [0,0,0,1,0,0|3,0,0]=4 4700 B10R1.151 CCC(C)SCC1CCC1 62a_100000758301_100000763275 [0,0,0,1,0,0|3,0,0]=4 4701 B10R1.151 CCC(C)SCC1CCC1 62a_100000763275_100000758301 [0,0,0,1,0,0|3,0,0]=4 4702 B10R1.151 CCC(O)CNC1CCC1 2230a_100000749019_100011218378 [0,0,0,1,0,0|2,0,0]=3 4703 B10R1.151 CCC(O)CNC1CCC1 270004a_100011218483_100000241760 [0,0,0,1,0,0|2,0,0]=3 4704 B10R1.151 CCC(O)CNC1CCC1 34a_100000749019_100011218378 [0,0,0,1,0,0|2,0,0]=3 4705 B10R1.151 CCC(O)CNC1COC1 2230a_100016991112_100011218378 [0,0,0,1,0,0|3,0,0]=4 4706 B10R1.151 CCC(O)COC1CCC1 34a_100000748187_100011218378 [0,0,0,1,0,0|2,0,0]=3 4707 B10R1.151 CCC(O)COC1CSC1 7a_100000072292_100011218378 [0,0,0,1,0,0|3,0,0]=4 4708 B10R1.151 CCC(O)CSC1CCC1 62a_100011218378_100000749161 [0,0,0,1,0,0|2,0,0]=3 4709 B10R1.151 CCC(O)CSC1COC1 62a_100011218378_100009818527 [0,0,0,1,0,0|3,0,0]=4 4710 B10R1.151 CC[C@H](C)CNC1CCC1 2230a_100000749019_100009816398 [0,0,0,1,0,0|3,0,0]=4 4711 B10R1.151 CC[C@H](C)CNC1CCC1 34a_100000749019_100009816398 [0,0,0,1,0,0|3,0,0]=4 4712 B10R1.151 CC[C@H](C)COC1CCC1 34a_100000748187_100009816398 [0,0,0,1,0,0|3,0,0]=4 4713 B10R1.151 CC[C@H](C)CSC1CCC1 62a_100009816398_100000749161 [0,0,0,1,0,0|3,0,0]=4 4714 B10R1.151 C[C@@H](CO)CNC1CCC1 2230a_100000749019_100000059175 [0,0,0,1,0,0|2,0,0]=3 4715 B10R1.151 C[C@@H](CO)CNC1CCC1 34a_100000749019_100000059175 [0,0,0,1,0,0|2,0,0]=3 4716 B10R1.151 C[C@@H](CO)CNC1COC1 2230a_100016991112_100000059175 [0,0,0,1,0,0|3,0,0]=4 4717 B10R1.151 C[C@@H](CO)COC1CCC1 34a_100000748187_100000059175 [0,0,0,1,0,0|2,0,0]=3 4718 B10R1.151 C[C@@H](CO)COC1CSC1 7a_100000072292_100000059175 [0,0,0,1,0,0|3,0,0]=4 4719 B10R1.151 C[C@@H](CO)CSC1CCC1 62a_100000059175_100000749161 [0,0,0,1,0,0|2,0,0]=3 4720 B10R1.151 C[C@@H](CO)CSC1COC1 62a_100000059175_100009818527 [0,0,0,1,0,0|3,0,0]=4 4721 B10R1.151 C[C@H](CF)NCC1CCC1 269862a_100102880703_100000753134 [0,0,0,1,0,0|3,0,0]=4 4722 B10R1.151 C[C@H](CO)NCC1CCC1 2230a_100000737577_100000763275 [0,0,0,1,0,0|2,0,0]=3 4723 B10R1.151 C[C@H](CO)NCC1CCC1 269862a_100000737577_100000753134 [0,0,0,1,0,0|2,0,0]=3 4724 B10R1.151 C[C@H](CO)NCC1CCO1 2230a_100000737577_100000103362 [0,0,0,1,0,0|3,0,0]=4 4725 B10R1.151 C[C@H](CO)NCC1COC1 2230a_100000737577_100010264016 [0,0,0,1,0,0|3,0,0]=4 4726 B10R1.151 C[C@H](CO)SCC1CCC1 62a_100000763275_100016084084 [0,0,0,1,0,0|2,0,0]=3 4727 B10R1.151 C[C@H](CO)SCC1CCC1 62a_100016084084_100000763275 [0,0,0,1,0,0|2,0,0]=3 4728 B10R1.151 C[C@H](CO)SCC1CCO1 62a_100000103362_100016084084 [0,0,0,1,0,0|3,0,0]=4 4729 B10R1.151 C[C@H](CO)SCC1CCO1 62a_100016084084_100000103362 [0,0,0,1,0,0|3,0,0]=4 4730 B10R1.151 C[C@H](CO)SCC1COC1 62a_100010264016_100016084084 [0,0,0,1,0,0|3,0,0]=4 4731 B10R1.151 C[C@H](CO)SCC1COC1 62a_100016084084_100010264016 [0,0,0,1,0,0|3,0,0]=4 4732 B10R1.151 ClCC(Cl)COC1CCC1 34a_100000033668_100000749161 [0,0,0,1,0,0|3,0,0]=4 4733 B10R1.151 NC[C@@H](F)COC1CCC1 34a_100015665980_100000749161 [0,0,0,1,0,0|3,0,0]=4 4734 B10R1.151 O=C(CO)NCC1CCC1 240690a_100000738700_100000210174 [0,0,0,1,0,0|1,0,2]=4 4735 B10R1.151 O=C(CO)NCC1CCC1 527a_100000738700_100000210174 [0,0,0,1,0,0|1,0,2]=4 4736 B10R1.151 OCC(O)CNC1CCC1 2230a_100000749019_100011219619 [0,0,0,1,0,0|1,0,0]=2 4737 B10R1.151 OCC(O)CNC1CCC1 34a_100000749019_100011219619 [0,0,0,1,0,0|1,0,0]=2 4738 B10R1.151 OCC(O)CNC1COC1 2230a_100016991112_100011219619 [0,0,0,1,0,0|2,0,0]=3 4739 B10R1.151 OCC(O)COC1CCC1 34a_100000748187_100011219619 [0,0,0,1,0,0|1,0,0]=2 4740 B10R1.151 OCC(O)COC1CSC1 7a_100000072292_100011219619 [0,0,0,1,0,0|2,0,0]=3 4741 B10R1.151 OCC(O)CSC1CCC1 62a_100011219619_100000749161 [0,0,0,1,0,0|1,0,0]=2 4742 B10R1.151 OCC(O)CSC1COC1 62a_100011219619_100009818527 [0,0,0,1,0,0|2,0,0]=3 4743 B10R1.151 OC[C@H](F)CNC1CCC1 270004a_100015665980_100000241760 [0,0,0,1,0,0|2,0,0]=3 4744 B10R1.151 OC[C@H](F)CNC1CCC1 34a_100015665980_100000749161 [0,0,0,1,0,0|2,0,0]=3 4745 B10R1.151 OC[C@H](F)CNC1COC1 34a_100015665980_100009818527 [0,0,0,1,0,0|3,0,0]=4 4746 B10R1.151 OC[C@H](O)CNC1CCC1 2230a_100000749019_100009815848 [0,0,0,1,0,0|1,0,0]=2 4747 B10R1.151 OC[C@H](O)CNC1CCC1 34a_100000749019_100009815848 [0,0,0,1,0,0|1,0,0]=2 4748 B10R1.151 OC[C@H](O)CNC1COC1 2230a_100016991112_100009815848 [0,0,0,1,0,0|2,0,0]=3 4749 B10R1.151 OC[C@H](O)COC1CCC1 34a_100000748187_100009815848 [0,0,0,1,0,0|1,0,0]=2 4750 B10R1.151 OC[C@H](O)COC1CSC1 7a_100000072292_100009815848 [0,0,0,1,0,0|2,0,0]=3 4751 B10R1.151 OC[C@H](O)CSC1CCC1 62a_100009815848_100000749161 [0,0,0,1,0,0|1,0,0]=2 4752 B10R1.151 OC[C@H](O)CSC1COC1 62a_100009815848_100009818527 [0,0,0,1,0,0|2,0,0]=3 4753 B10R1.151 O[C@@H](CF)CNC1CCC1 2230a_100000749019_100015614560 [0,0,0,1,0,0|2,0,0]=3 4754 B10R1.151 O[C@@H](CF)CNC1CCC1 34a_100000749019_100015614560 [0,0,0,1,0,0|2,0,0]=3 4755 B10R1.151 O[C@@H](CF)CNC1COC1 2230a_100016991112_100015614560 [0,0,0,1,0,0|3,0,0]=4 4756 B10R1.151 O[C@@H](CF)COC1CCC1 34a_100000748187_100015614560 [0,0,0,1,0,0|2,0,0]=3 4757 B10R1.151 O[C@@H](CF)COC1CSC1 7a_100000072292_100015614560 [0,0,0,1,0,0|3,0,0]=4 4758 B10R1.151 O[C@@H](CF)CSC1CCC1 62a_100015614560_100000749161 [0,0,0,1,0,0|2,0,0]=3 4759 B10R1.151 O[C@@H](CF)CSC1COC1 62a_100015614560_100009818527 [0,0,0,1,0,0|3,0,0]=4 4760 B10R1.153 C=CC(O)CNCC1CC1 2230a_100000735609_100000730141 [0,0,0,1,0,0|2,0,1]=4 4761 B10R1.153 C=CC(O)CNCC1CC1 34a_100000735609_100000730141 [0,0,0,1,0,0|2,0,1]=4 4762 B10R1.153 C=CC(O)COCC1CC1 34a_100000211283_100000730141 [0,0,0,1,0,0|2,0,1]=4 4763 B10R1.153 C=CC(O)CSCC1CC1 62a_100000730141_100000742324 [0,0,0,1,0,0|2,0,1]=4 4764 B10R1.153 C=CC(O)CSCC1CC1 62a_100000756562_100000730141 [0,0,0,1,0,0|2,0,1]=4 4765 B10R1.153 CC(CF)OCCC1CC1 34a_100016041109_100000694398 [0,0,0,1,0,0|3,0,0]=4 4766 B10R1.153 CC(CF)OCCC1CC1 7a_100016041109_100000764125 [0,0,0,1,0,0|3,0,0]=4 4767 B10R1.153 CC(CN)COCC1CC1 34a_100000744482_100000742324 [0,0,0,1,0,0|3,0,0]=4 4768 B10R1.153 CC(CN)OCCC1CC1 34a_100000210904_100000694398 [0,0,0,1,0,0|3,0,0]=4 4769 B10R1.153 CC(CO)CCNC1CC1 34a_106354213184_100000211595 [0,0,0,1,0,0|2,0,0]=3 4770 B10R1.153 CC(CO)CNCC1CC1 269862a_100000744482_100000741477 [0,0,0,1,0,0|2,0,0]=3 4771 B10R1.153 CC(CO)CNCC1CC1 34a_100000744482_100000742324 [0,0,0,1,0,0|2,0,0]=3 4772 B10R1.153 CC(CO)CNCC1CO1 34a_100000744482_102125554688 [0,0,0,1,0,0|3,0,0]=4 4773 B10R1.153 CC(CO)NCCC1CC1 34a_100000764129_100012180447 [0,0,0,1,0,0|2,0,0]=3 4774 B10R1.153 CC(CO)OCCC1CC1 34a_100000754188_100012180447 [0,0,0,1,0,0|2,0,0]=3 4775 B10R1.153 CC(CO)OCCC1CC1 7a_100000754188_100012180447 [0,0,0,1,0,0|2,0,0]=3 4776 B10R1.153 CC(CO)OCC[C@@H]1CO1 34a_100009820653_100012180447 [0,0,0,1,0,0|3,0,0]=4 4777 B10R1.153 CC(CO)SCCC1CC1 62a_100012180447_100000764125 [0,0,0,1,0,0|2,0,0]=3 4778 B10R1.153 CC(CO)SCCC1CO1 62a_100012180447_100000732470 [0,0,0,1,0,0|3,0,0]=4 4779 B10R1.153 CCC(C)CNCC1CC1 2230a_100000735609_100000748023 [0,0,0,1,0,0|3,0,0]=4 4780 B10R1.153 CCC(C)CNCC1CC1 2230a_100020588543_100000742324 [0,0,0,1,0,0|3,0,0]=4 4781 B10R1.153 CCC(C)CNCC1CC1 269862a_100020588543_100000741477 [0,0,0,1,0,0|3,0,0]=4 4782 B10R1.153 CCC(C)CNCC1CC1 270004a_100000735609_100000243153 [0,0,0,1,0,0|3,0,0]=4 4783 B10R1.153 CCC(C)CNCC1CC1 34a_100000735609_100000748023 [0,0,0,1,0,0|3,0,0]=4 4784 B10R1.153 CCC(C)COCC1CC1 34a_100000211283_100000748023 [0,0,0,1,0,0|3,0,0]=4 4785 B10R1.153 CCC(C)CSCC1CC1 62a_100000748023_100000742324 [0,0,0,1,0,0|3,0,0]=4 4786 B10R1.153 CCC(C)CSCC1CC1 62a_100000756562_100000748023 [0,0,0,1,0,0|3,0,0]=4 4787 B10R1.153 CCC(C)NCCC1CC1 2230a_100000209981_100000694398 [0,0,0,1,0,0|3,0,0]=4 4788 B10R1.153 CCC(C)NCCC1CC1 34a_100000764129_100011215416 [0,0,0,1,0,0|3,0,0]=4 4789 B10R1.153 CCC(C)OCCC1CC1 34a_100000754188_100011215416 [0,0,0,1,0,0|3,0,0]=4 4790 B10R1.153 CCC(C)OCCC1CC1 7a_100000210228_100000764125 [0,0,0,1,0,0|3,0,0]=4 4791 B10R1.153 CCC(C)OCCC1CC1 7a_100000754188_100000758301 [0,0,0,1,0,0|3,0,0]=4 4792 B10R1.153 CCC(C)SCCC1CC1 62a_100000758301_100000764125 [0,0,0,1,0,0|3,0,0]=4 4793 B10R1.153 CCC(C)SCCC1CC1 62a_100000764125_100000758301 [0,0,0,1,0,0|3,0,0]=4 4794 B10R1.153 CCC(O)CNCC1CC1 2230a_100000735609_100011218378 [0,0,0,1,0,0|2,0,0]=3 4795 B10R1.153 CCC(O)CNCC1CC1 2230a_100011218483_100000742324 [0,0,0,1,0,0|2,0,0]=3 4796 B10R1.153 CCC(O)CNCC1CC1 269862a_100011218483_100000741477 [0,0,0,1,0,0|2,0,0]=3 4797 B10R1.153 CCC(O)CNCC1CC1 34a_100000735609_100011218378 [0,0,0,1,0,0|2,0,0]=3 4798 B10R1.153 CCC(O)CNCC1CO1 2230a_100011218483_100011216344 [0,0,0,1,0,0|3,0,0]=4 4799 B10R1.153 CCC(O)COCC1CC1 34a_100000211283_100011218378 [0,0,0,1,0,0|2,0,0]=3 4800 B10R1.153 CCC(O)COC[C@@H]1CO1 34a_100000757423_100011218378 [0,0,0,1,0,0|3,0,0]=4 4801 B10R1.153 CCC(O)CSCC1CC1 62a_100000756562_100011218378 [0,0,0,1,0,0|2,0,0]=3 4802 B10R1.153 CCC(O)CSCC1CC1 62a_100011218378_100000742324 [0,0,0,1,0,0|2,0,0]=3 4803 B10R1.153 CCC(O)CSCC1CO1 62a_100011218378_102125554688 [0,0,0,1,0,0|3,0,0]=4 4804 B10R1.153 CCC(O)CSCC1CO1 62a_102125554688_100011218378 [0,0,0,1,0,0|3,0,0]=4 4805 B10R1.153 CCC(O)CSCC1CS1 62a_100000031435_100011218378 [0,0,0,1,0,0|3,0,0]=4 4806 B10R1.153 CCC(O)CSCC1CS1 62a_100011218378_100000031435 [0,0,0,1,0,0|3,0,0]=4 4807 B10R1.153 CCC(O)CSC[C@@H]1CO1 62a_100000745022_100011218378 [0,0,0,1,0,0|3,0,0]=4 4808 B10R1.153 CCC(O)CSC[C@@H]1CO1 62a_100011218378_100000745022 [0,0,0,1,0,0|3,0,0]=4 4809 B10R1.153 CC[C@H](C)CNCC1CC1 2230a_100000735609_100009816398 [0,0,0,1,0,0|3,0,0]=4 4810 B10R1.153 CC[C@H](C)CNCC1CC1 34a_100000735609_100009816398 [0,0,0,1,0,0|3,0,0]=4 4811 B10R1.153 CC[C@H](C)COCC1CC1 34a_100000211283_100009816398 [0,0,0,1,0,0|3,0,0]=4 4812 B10R1.153 CC[C@H](C)COCC1CC1 7a_100009816381_100000742324 [0,0,0,1,0,0|3,0,0]=4 4813 B10R1.153 CC[C@H](C)CSCC1CC1 62a_100000756562_100009816398 [0,0,0,1,0,0|3,0,0]=4 4814 B10R1.153 CC[C@H](C)CSCC1CC1 62a_100009816398_100000742324 [0,0,0,1,0,0|3,0,0]=4 4815 B10R1.153 C[C@@H](CO)CNCC1CC1 2230a_100000735609_100000059175 [0,0,0,1,0,0|2,0,0]=3 4816 B10R1.153 C[C@@H](CO)CNCC1CC1 34a_100000735609_100000059175 [0,0,0,1,0,0|2,0,0]=3 4817 B10R1.153 C[C@@H](CO)COCC1CC1 34a_100000211283_100000059175 [0,0,0,1,0,0|2,0,0]=3 4818 B10R1.153 C[C@@H](CO)COC[C@@H]1CO1 34a_100000757423_100000059175 [0,0,0,1,0,0|3,0,0]=4 4819 B10R1.153 C[C@@H](CO)CSCC1CC1 62a_100000059175_100000742324 [0,0,0,1,0,0|2,0,0]=3 4820 B10R1.153 C[C@@H](CO)CSCC1CC1 62a_100000756562_100000059175 [0,0,0,1,0,0|2,0,0]=3 4821 B10R1.153 C[C@@H](CO)CSCC1CO1 62a_100000059175_102125554688 [0,0,0,1,0,0|3,0,0]=4 4822 B10R1.153 C[C@@H](CO)CSCC1CO1 62a_102125554688_100000059175 [0,0,0,1,0,0|3,0,0]=4 4823 B10R1.153 C[C@@H](CO)CSCC1CS1 62a_100000031435_100000059175 [0,0,0,1,0,0|3,0,0]=4 4824 B10R1.153 C[C@@H](CO)CSCC1CS1 62a_100000059175_100000031435 [0,0,0,1,0,0|3,0,0]=4 4825 B10R1.153 C[C@@H](CO)CSC[C@@H]1CO1 62a_100000059175_100000745022 [0,0,0,1,0,0|3,0,0]=4 4826 B10R1.153 C[C@@H](CO)CSC[C@@H]1CO1 62a_100000745022_100000059175 [0,0,0,1,0,0|3,0,0]=4 4827 B10R1.153 C[C@H](CO)NCCC1CC1 2230a_100000737577_100000694398 [0,0,0,1,0,0|2,0,0]=3 4828 B10R1.153 C[C@H](CO)NCCC1CO1 2230a_100000737577_100000732470 [0,0,0,1,0,0|3,0,0]=4 4829 B10R1.153 C[C@H](CO)SCCC1CC1 62a_100000764125_100016084084 [0,0,0,1,0,0|2,0,0]=3 4830 B10R1.153 C[C@H](CO)SCCC1CC1 62a_100016084084_100000764125 [0,0,0,1,0,0|2,0,0]=3 4831 B10R1.153 C[C@H](CO)SCCC1CO1 62a_100000732470_100016084084 [0,0,0,1,0,0|3,0,0]=4 4832 B10R1.153 C[C@H](CO)SCCC1CO1 62a_100016084084_100000732470 [0,0,0,1,0,0|3,0,0]=4 4833 B10R1.153 ClCC(Cl)COCC1CC1 34a_100000033668_100000742324 [0,0,0,1,0,0|3,0,0]=4 4834 B10R1.153 NC[C@@H](F)COCC1CC1 34a_100015665980_100000742324 [0,0,0,1,0,0|3,0,0]=4 4835 B10R1.153 O=C(CO)CCCC1CO1 1458a_100000210174_100000733510 [0,0,0,1,0,0|1,0,2]=4 4836 B10R1.153 O=C(CO)NCCC1CC1 240690a_100000764129_100000210174 [0,0,0,1,0,0|1,0,2]=4 4837 B10R1.153 O=C(CO)NCCC1CC1 527a_100000764129_100000210174 [0,0,0,1,0,0|1,0,2]=4 4838 B10R1.153 OCC(O)C=NNC1CC1 4a_100000701032_100000033539 [0,0,0,1,0,0|2,0,1]=4 4839 B10R1.153 OCC(O)CNCC1CC1 2230a_100000735609_100011219619 [0,0,0,1,0,0|1,0,0]=2 4840 B10R1.153 OCC(O)CNCC1CC1 34a_100000735609_100011219619 [0,0,0,1,0,0|1,0,0]=2 4841 B10R1.153 OCC(O)COCC1CC1 34a_100000211283_100011219619 [0,0,0,1,0,0|1,0,0]=2 4842 B10R1.153 OCC(O)COC[C@@H]1CO1 34a_100000757423_100011219619 [0,0,0,1,0,0|2,0,0]=3 4843 B10R1.153 OCC(O)CSCC1CC1 62a_100000756562_100011219619 [0,0,0,1,0,0|1,0,0]=2 4844 B10R1.153 OCC(O)CSCC1CC1 62a_100011219619_100000742324 [0,0,0,1,0,0|1,0,0]=2 4845 B10R1.153 OCC(O)CSCC1CO1 62a_100011219619_102125554688 [0,0,0,1,0,0|2,0,0]=3 4846 B10R1.153 OCC(O)CSCC1CO1 62a_102125554688_100011219619 [0,0,0,1,0,0|2,0,0]=3 4847 B10R1.153 OCC(O)CSCC1CS1 62a_100000031435_100011219619 [0,0,0,1,0,0|2,0,0]=3 4848 B10R1.153 OCC(O)CSCC1CS1 62a_100011219619_100000031435 [0,0,0,1,0,0|2,0,0]=3 4849 B10R1.153 OCC(O)CSC[C@@H]1CO1 62a_100000745022_100011219619 [0,0,0,1,0,0|2,0,0]=3 4850 B10R1.153 OCC(O)CSC[C@@H]1CO1 62a_100011219619_100000745022 [0,0,0,1,0,0|2,0,0]=3 4851 B10R1.153 OC[C@@H](O)CNCC1CC1 2230a_100020644852_100000742324 [0,0,0,1,0,0|1,0,0]=2 4852 B10R1.153 OC[C@@H](O)CNCC1CC1 269862a_100020644852_100000741477 [0,0,0,1,0,0|1,0,0]=2 4853 B10R1.153 OC[C@@H](O)CNCC1CO1 2230a_100020644852_100011216344 [0,0,0,1,0,0|2,0,0]=3 4854 B10R1.153 OC[C@H](F)CNCC1CC1 269862a_100015665980_100000741477 [0,0,0,1,0,0|2,0,0]=3 4855 B10R1.153 OC[C@H](F)CNCC1CC1 34a_100015665980_100000742324 [0,0,0,1,0,0|2,0,0]=3 4856 B10R1.153 OC[C@H](F)CNCC1CO1 34a_100015665980_102125554688 [0,0,0,1,0,0|3,0,0]=4 4857 B10R1.153 OC[C@H](O)CNCC1CC1 2230a_100000735609_100009815848 [0,0,0,1,0,0|1,0,0]=2 4858 B10R1.153 OC[C@H](O)CNCC1CC1 34a_100000735609_100009815848 [0,0,0,1,0,0|1,0,0]=2 4859 B10R1.153 OC[C@H](O)COCC1CC1 34a_100000211283_100009815848 [0,0,0,1,0,0|1,0,0]=2 4860 B10R1.153 OC[C@H](O)COC[C@@H]1CO1 34a_100000757423_100009815848 [0,0,0,1,0,0|2,0,0]=3 4861 B10R1.153 OC[C@H](O)CSCC1CC1 62a_100000756562_100009815848 [0,0,0,1,0,0|1,0,0]=2 4862 B10R1.153 OC[C@H](O)CSCC1CC1 62a_100009815848_100000742324 [0,0,0,1,0,0|1,0,0]=2 4863 B10R1.153 OC[C@H](O)CSCC1CO1 62a_100009815848_102125554688 [0,0,0,1,0,0|2,0,0]=3 4864 B10R1.153 OC[C@H](O)CSCC1CO1 62a_102125554688_100009815848 [0,0,0,1,0,0|2,0,0]=3 4865 B10R1.153 OC[C@H](O)CSCC1CS1 62a_100000031435_100009815848 [0,0,0,1,0,0|2,0,0]=3 4866 B10R1.153 OC[C@H](O)CSCC1CS1 62a_100009815848_100000031435 [0,0,0,1,0,0|2,0,0]=3 4867 B10R1.153 OC[C@H](O)CSC[C@@H]1CO1 62a_100000745022_100009815848 [0,0,0,1,0,0|2,0,0]=3 4868 B10R1.153 OC[C@H](O)CSC[C@@H]1CO1 62a_100009815848_100000745022 [0,0,0,1,0,0|2,0,0]=3 4869 B10R1.153 O[C@@H](CF)CNCC1CC1 2230a_100000735609_100015614560 [0,0,0,1,0,0|2,0,0]=3 4870 B10R1.153 O[C@@H](CF)CNCC1CC1 34a_100000735609_100015614560 [0,0,0,1,0,0|2,0,0]=3 4871 B10R1.153 O[C@@H](CF)COCC1CC1 34a_100000211283_100015614560 [0,0,0,1,0,0|2,0,0]=3 4872 B10R1.153 O[C@@H](CF)COC[C@@H]1CO1 34a_100000757423_100015614560 [0,0,0,1,0,0|3,0,0]=4 4873 B10R1.153 O[C@@H](CF)CSCC1CC1 62a_100000756562_100015614560 [0,0,0,1,0,0|2,0,0]=3 4874 B10R1.153 O[C@@H](CF)CSCC1CC1 62a_100015614560_100000742324 [0,0,0,1,0,0|2,0,0]=3 4875 B10R1.153 O[C@@H](CF)CSCC1CO1 62a_100015614560_102125554688 [0,0,0,1,0,0|3,0,0]=4 4876 B10R1.153 O[C@@H](CF)CSCC1CO1 62a_102125554688_100015614560 [0,0,0,1,0,0|3,0,0]=4 4877 B10R1.153 O[C@@H](CF)CSCC1CS1 62a_100000031435_100015614560 [0,0,0,1,0,0|3,0,0]=4 4878 B10R1.153 O[C@@H](CF)CSCC1CS1 62a_100015614560_100000031435 [0,0,0,1,0,0|3,0,0]=4 4879 B10R1.153 O[C@@H](CF)CSC[C@@H]1CO1 62a_100000745022_100015614560 [0,0,0,1,0,0|3,0,0]=4 4880 B10R1.153 O[C@@H](CF)CSC[C@@H]1CO1 62a_100015614560_100000745022 [0,0,0,1,0,0|3,0,0]=4 4881 B10R1.161 CCN1CCCCCCC1 2230a_100000211400_100000210202 [0,0,0,1,0,0|3,0,0]=4 4882 B10R1.161 CCN1CCCCCCC1 269982a_100000211400_100000204670 [0,0,0,1,0,0|3,0,0]=4 4883 B10R1.161 CCN1CCCCCCC1 34a_100000211400_100000210202 [0,0,0,1,0,0|3,0,0]=4 4884 B10R1.161 CNC1CCCCCCC1 2230a_100000211152_200000210301 [0,0,0,1,0,0|3,0,0]=4 4885 B10R1.161 CNC1CCCCCCC1 270004a_106832991635_100000210524 [0,0,0,1,0,0|3,0,0]=4 4886 B10R1.161 CNC1CCCCCCC1 34a_100000211152_200000210301 [0,0,0,1,0,0|3,0,0]=4 4887 B10R1.161 COC1CCCCCCC1 34a_100000210054_200000210301 [0,0,0,1,0,0|3,0,0]=4 4888 B10R1.161 COC1CCCCCCC1 7a_100000210054_200000210301 [0,0,0,1,0,0|3,0,0]=4 4889 B10R1.161 FCN1CCCCCCC1 269982a_100000211400_100015361967 [0,0,0,1,0,0|3,0,0]=4 4890 B10R1.161 FCN1CCCCCCC1 34a_100000211400_100015361967 [0,0,0,1,0,0|3,0,0]=4 4891 B10R1.161 [13CH3]NC1CCCCCCC1 2230a_100000211152_200025704644 [0,0,0,1,0,0|3,0,0]=4 4892 B10R1.161 [13CH3]NC1CCCCCCC1 34a_100000211152_200025704644 [0,0,0,1,0,0|3,0,0]=4 4893 B10R1.161 [13CH3]OC1CCCCCCC1 34a_100000210054_200025704644 [0,0,0,1,0,0|3,0,0]=4 4894 B10R1.161 [13CH3]OC1CCCCCCC1 7a_100000210054_200025704644 [0,0,0,1,0,0|3,0,0]=4 4895 B10R1.162 CN1CCOCC(C1)CO 2230a_100103147999_200000210301 [0,0,0,1,0,0|3,0,0]=4 4896 B10R1.162 CN1CCOCC(C1)CO 269982a_100103147999_200000210301 [0,0,0,1,0,0|3,0,0]=4 4897 B10R1.162 CN1CCOCC(C1)CO 34a_100103147999_200000210301 [0,0,0,1,0,0|3,0,0]=4 4898 B10R1.162 [13CH3]N1CCOCC(C1)CO 2230a_100103147999_200025704644 [0,0,0,1,0,0|3,0,0]=4 4899 B10R1.162 [13CH3]N1CCOCC(C1)CO 269982a_100103147999_200025704644 [0,0,0,1,0,0|3,0,0]=4 4900 B10R1.162 [13CH3]N1CCOCC(C1)CO 34a_100103147999_200025704644 [0,0,0,1,0,0|3,0,0]=4 4901 B10R1.172 CCC1CCCC(C1)NC 270004a_106832991635_100000756783 [0,0,0,1,0,0|3,0,0]=4 4902 B10R1.172 CCC1CCCC(C1)OC 7a_100011985506_200000210301 [0,0,0,1,0,0|3,0,0]=4 4903 B10R1.172 CCC1CCCC(C1)O[13CH3] 7a_100011985506_200025704644 [0,0,0,1,0,0|3,0,0]=4 4904 B10R1.172 CCN1CCCC(C1)CF 2230a_100016992999_100000210202 [0,0,0,1,0,0|3,0,0]=4 4905 B10R1.172 CCN1CCCC(C1)CF 269982a_100016992999_100000204670 [0,0,0,1,0,0|3,0,0]=4 4906 B10R1.172 CCN1CCCC(C1)CF 34a_100016992999_100000210202 [0,0,0,1,0,0|3,0,0]=4 4907 B10R1.172 CCN1CCCC(C1)CO 2230a_100000211344_100000210202 [0,0,0,1,0,0|2,0,0]=3 4908 B10R1.172 CCN1CCCC(C1)CO 269982a_100000211344_100000204670 [0,0,0,1,0,0|2,0,0]=3 4909 B10R1.172 CCN1CCCC(C1)CO 34a_100000211344_100000210202 [0,0,0,1,0,0|2,0,0]=3 4910 B10R1.172 CCN1CCO[C@@H](C1)CO 2230a_100015189573_100000210202 [0,0,0,1,0,0|3,0,0]=4 4911 B10R1.172 CCN1CCO[C@@H](C1)CO 269982a_100015189573_100000204670 [0,0,0,1,0,0|3,0,0]=4 4912 B10R1.172 CCN1CCO[C@@H](C1)CO 34a_100015189573_100000210202 [0,0,0,1,0,0|3,0,0]=4 4913 B10R1.172 COC1CCCC(C1)CN 34a_100011254705_200000210301 [0,0,0,1,0,0|3,0,0]=4 4914 B10R1.172 OCC1CCCN(C1)CF 269982a_100000211344_100015361967 [0,0,0,1,0,0|3,0,0]=4 4915 B10R1.172 OCC1CCCN(C1)CF 34a_100000211344_100015361967 [0,0,0,1,0,0|3,0,0]=4 4916 B10R1.172 [13CH3]OC1CCCC(C1)CN 34a_100011254705_200025704644 [0,0,0,1,0,0|3,0,0]=4 4917 B10R1.197 CCC1CCCN(CC1)C 2230a_100000757272_200000210301 [0,0,0,1,0,0|3,0,0]=4 4918 B10R1.197 CCC1CCCN(CC1)C 269982a_100000757272_200000210301 [0,0,0,1,0,0|3,0,0]=4 4919 B10R1.197 CCC1CCCN(CC1)C 34a_100000757272_200000210301 [0,0,0,1,0,0|3,0,0]=4 4920 B10R1.197 CCC1CCCN(CC1)[13CH3] 2230a_100000757272_200025704644 [0,0,0,1,0,0|3,0,0]=4 4921 B10R1.197 CCC1CCCN(CC1)[13CH3] 269982a_100000757272_200025704644 [0,0,0,1,0,0|3,0,0]=4 4922 B10R1.197 CCC1CCCN(CC1)[13CH3] 34a_100000757272_200025704644 [0,0,0,1,0,0|3,0,0]=4 4923 B10R1.197 CCN1CCCC(CC1)C 2230a_100025706717_100000210202 [0,0,0,1,0,0|3,0,0]=4 4924 B10R1.197 CCN1CCCC(CC1)C 269982a_100025706717_100000204670 [0,0,0,1,0,0|3,0,0]=4 4925 B10R1.197 CCN1CCCC(CC1)C 34a_100025706717_100000210202 [0,0,0,1,0,0|3,0,0]=4 4926 B10R1.197 CCN1CCCC(CC1)O 2230a_100015186869_100000210202 [0,0,0,1,0,0|2,0,0]=3 4927 B10R1.197 CCN1CCCC(CC1)O 269982a_100015186869_100000204670 [0,0,0,1,0,0|2,0,0]=3 4928 B10R1.197 OC1CCCN(CC1)CF 269982a_100015186869_100015361967 [0,0,0,1,0,0|3,0,0]=4 4929 B10R1.206 CC(CO)OCC1CC1C 34a_100000744939_100012180447 [0,0,0,1,0,0|2,0,0]=3 4930 B10R1.206 CC(CO)OCC1CC1C 7a_100000744939_100012180447 [0,0,0,1,0,0|2,0,0]=3 4931 B10R1.206 CCC(C)OCC1CC1C 34a_100000744939_100011215416 [0,0,0,1,0,0|3,0,0]=4 4932 B10R1.206 CCC(C)OCC1CC1C 7a_100000744939_100000758301 [0,0,0,1,0,0|3,0,0]=4 4933 B10R1.206 CCC(O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100011218378 [0,0,0,1,0,0|3,0,0]=4 4934 B10R1.206 CCC(O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100011218378 [0,0,0,1,0,0|3,0,0]=4 4935 B10R1.206 CCC(O)CN[C@@H]1C[C@H]1F 34a_100025746932_100011218378 [0,0,0,1,0,0|3,0,0]=4 4936 B10R1.206 C[C@@H](CO)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000059175 [0,0,0,1,0,0|3,0,0]=4 4937 B10R1.206 C[C@@H](CO)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000059175 [0,0,0,1,0,0|3,0,0]=4 4938 B10R1.206 C[C@@H](CO)CN[C@@H]1C[C@H]1F 34a_100025746932_100000059175 [0,0,0,1,0,0|3,0,0]=4 4939 B10R1.206 OCC(O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100011219619 [0,0,0,1,0,0|2,0,0]=3 4940 B10R1.206 OCC(O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100011219619 [0,0,0,1,0,0|2,0,0]=3 4941 B10R1.206 OCC(O)CN[C@@H]1C[C@H]1F 34a_100025746932_100011219619 [0,0,0,1,0,0|2,0,0]=3 4942 B10R1.206 OC[C@H](O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100009815848 [0,0,0,1,0,0|2,0,0]=3 4943 B10R1.206 OC[C@H](O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100009815848 [0,0,0,1,0,0|2,0,0]=3 4944 B10R1.206 OC[C@H](O)CN[C@@H]1C[C@H]1F 34a_100025746932_100009815848 [0,0,0,1,0,0|2,0,0]=3 4945 B10R1.206 O[C@@H](CF)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100015614560 [0,0,0,1,0,0|3,0,0]=4 4946 B10R1.206 O[C@@H](CF)CN[C@@H]1C[C@H]1F 2230a_100025746932_100015614560 [0,0,0,1,0,0|3,0,0]=4 4947 B10R1.206 O[C@@H](CF)CN[C@@H]1C[C@H]1F 34a_100025746932_100015614560 [0,0,0,1,0,0|3,0,0]=4 4948 B10R1.217 CCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210211 [0,0,0,1,0,0|2,0,0]=3 4949 B10R1.217 CCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210211 [0,0,0,1,0,0|2,0,0]=3 4950 B10R1.217 CCOCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000739092 [0,0,0,1,0,0|3,0,0]=4 4951 B10R1.217 COCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100011201679 [0,0,0,1,0,0|3,0,0]=4 4952 B10R1.217 COCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000233755 [0,0,0,1,0,0|3,0,0]=4 4953 B10R1.217 CSCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000751147 [0,0,0,1,0,0|3,0,0]=4 4954 B10R1.217 CSCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000212216 [0,0,0,1,0,0|3,0,0]=4 4955 B10R1.217 C[C@H]1[C@H](CN1CCCF)O 2230a_206633788156_100011934791 [0,0,0,1,0,0|3,0,0]=4 4956 B10R1.217 C[C@H]1[C@H](CN1CCCF)O 269982a_206633788156_100011934791 [0,0,0,1,0,0|3,0,0]=4 4957 B10R1.217 C[C@H]1[C@H](CN1CCCO)O 2230a_206633788156_100000230001 [0,0,0,1,0,0|3,0,0]=4 4958 B10R1.217 C[C@H]1[C@H](CN1CCCO)O 269982a_206633788156_100011215043 [0,0,0,1,0,0|3,0,0]=4 4959 B10R1.232 CC1(CCCCCC1)N[13CH3] 2230a_100000704638_200025704644 [0,0,0,1,0,0|3,0,0]=4 4960 B10R1.232 CC1(CCCCCC1)N[13CH3] 34a_100000704638_200025704644 [0,0,0,1,0,0|3,0,0]=4 4961 B10R1.232 CC1(CCCCCC1)O[13CH3] 34a_100000708895_200025704644 [0,0,0,1,0,0|3,0,0]=4 4962 B10R1.232 CC1(CCCCCC1)O[13CH3] 7a_100000708895_200025704644 [0,0,0,1,0,0|3,0,0]=4 4963 B10R1.232 CNC1(CCCCCC1)C 2230a_100000704638_200000210301 [0,0,0,1,0,0|3,0,0]=4 4964 B10R1.232 CNC1(CCCCCC1)C 34a_100000704638_200000210301 [0,0,0,1,0,0|3,0,0]=4 4965 B10R1.232 COC1(CCCCCC1)C 34a_100000708895_200000210301 [0,0,0,1,0,0|3,0,0]=4 4966 B10R1.232 COC1(CCCCCC1)C 7a_100000708895_200000210301 [0,0,0,1,0,0|3,0,0]=4 4967 B10R1.463 C=CC(O)CN1CCC1C 34a_100000755817_100000730141 [0,0,0,1,0,0|2,0,1]=4 4968 B10R1.463 CC1CCN1CC(O)CO 34a_100000755817_100011219619 [0,0,0,1,0,0|1,0,0]=2 4969 B10R1.463 CC1CCN1C[C@@H](C)CO 269982a_100000755817_100000059175 [0,0,0,1,0,0|2,0,0]=3 4970 B10R1.463 CC1CCN1C[C@@H](C)CO 34a_100000755817_100000059175 [0,0,0,1,0,0|2,0,0]=3 4971 B10R1.463 CC1CCN1C[C@@H](O)CF 34a_100000755817_100015614560 [0,0,0,1,0,0|2,0,0]=3 4972 B10R1.463 CC1CCN1C[C@@H](O)CO 34a_100000755817_100009815848 [0,0,0,1,0,0|1,0,0]=2 4973 B10R1.463 CCC(C)CN1CCC1C 269982a_100000755817_100000748023 [0,0,0,1,0,0|3,0,0]=4 4974 B10R1.463 CCC(C)CN1CCC1C 34a_100000755817_100000748023 [0,0,0,1,0,0|3,0,0]=4 4975 B10R1.463 CCC(O)CN1CCC1C 269982a_100000755817_100011218378 [0,0,0,1,0,0|2,0,0]=3 4976 B10R1.463 CCC(O)CN1CCC1C 34a_100000755817_100011218378 [0,0,0,1,0,0|2,0,0]=3 4977 B10R1.463 CC[C@H](C)CN1CCC1C 269982a_100000755817_100009816398 [0,0,0,1,0,0|3,0,0]=4 4978 B10R1.463 CC[C@H](C)CN1CCC1C 34a_100000755817_100009816398 [0,0,0,1,0,0|3,0,0]=4 4979 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [2,0,0,0,0,0|1,0,0]=3 4980 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [2,0,0,0,0,0|1,0,0]=3 4981 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [2,0,0,0,0,0|1,0,0]=3 4982 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [2,0,0,0,0,0|1,0,0]=3 4983 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [2,0,0,0,0,0|1,0,0]=3 4984 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [2,0,0,0,0,0|1,0,0]=3 4985 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [2,0,0,0,0,0|1,0,0]=3 4986 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [2,0,0,0,0,0|1,0,0]=3 4987 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [2,0,0,0,0,0|1,0,0]=3 4988 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [2,0,0,0,0,0|1,0,0]=3 4989 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [2,0,0,0,0,0|1,0,0]=3 4990 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [2,0,0,0,0,0|1,0,0]=3 4991 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [2,0,0,0,0,0|1,0,0]=3 4992 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [2,0,0,0,0,0|1,0,0]=3 4993 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [2,0,0,0,0,0|1,0,0]=3 4994 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [2,0,0,0,0,0|1,0,0]=3 4995 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [2,0,0,0,0,0|1,0,0]=3 4996 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [2,0,0,0,0,0|1,0,0]=3 4997 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [2,0,0,0,0,0|1,0,0]=3 4998 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [2,0,0,0,0,0|2,0,0]=4 4999 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [2,0,0,0,0,0|2,0,0]=4 5000 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [2,0,0,0,0,0|1,0,0]=3 5001 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [2,0,0,0,0,0|1,0,0]=3 5002 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [2,0,0,0,0,0|2,0,0]=4 5003 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [2,0,0,0,0,0|2,0,0]=4 5004 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [2,0,0,0,0,0|1,0,0]=3 5005 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [2,0,0,0,0,0|1,0,0]=3 5006 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [2,0,0,0,0,0|2,0,0]=4 5007 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [2,0,0,0,0,0|2,0,0]=4 5008 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [2,0,0,0,0,0|2,0,0]=4 5009 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [2,0,0,0,0,0|1,0,0]=3 5010 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [2,0,0,0,0,0|1,0,0]=3 5011 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [2,0,0,0,0,0|1,0,0]=3 5012 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [2,0,0,0,0,0|1,0,0]=3 5013 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [2,0,0,0,0,0|2,0,0]=4 5014 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [2,0,0,0,0,0|2,0,0]=4 5015 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [2,0,0,0,0,0|2,0,0]=4 5016 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [2,0,0,0,0,0|1,0,0]=3 5017 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [2,0,0,0,0,0|1,0,0]=3 5018 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [2,0,0,0,0,0|1,0,0]=3 5019 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [2,0,0,0,0,0|2,0,0]=4 5020 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [2,0,0,0,0,0|2,0,0]=4 5021 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [2,0,0,0,0,0|2,0,0]=4 5022 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [2,0,0,0,0,0|1,0,0]=3 5023 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [2,0,0,0,0,0|1,0,0]=3 5024 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [2,0,0,0,0,0|2,0,0]=4 5025 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [2,0,0,0,0,0|2,0,0]=4 5026 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [2,0,0,0,0,0|2,0,0]=4 5027 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [2,0,0,0,0,0|2,0,0]=4 5028 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [2,0,0,0,0,0|2,0,0]=4 5029 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [2,0,0,0,0,0|2,0,0]=4 5030 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [2,0,0,0,0,0|2,0,0]=4 5031 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [2,0,0,0,0,0|2,0,0]=4 5032 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [2,0,0,0,0,0|1,0,0]=3 5033 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [2,0,0,0,0,0|1,0,0]=3 5034 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [2,0,0,0,0,0|2,0,0]=4 5035 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [2,0,0,0,0,0|2,0,0]=4 5036 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [2,0,0,0,0,0|1,0,0]=3 5037 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [2,0,0,0,0,0|1,0,0]=3 5038 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [2,0,0,0,0,0|2,0,0]=4 5039 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [2,0,0,0,0,0|2,0,0]=4 5040 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [2,0,0,0,0,0|2,0,0]=4 5041 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [2,0,0,0,0,0|2,0,0]=4 5042 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [2,0,0,0,0,0|2,0,0]=4 5043 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [2,0,0,0,0,0|2,0,0]=4 5044 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [2,0,0,0,0,0|2,0,0]=4 5045 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [2,0,0,0,0,0|2,0,0]=4 5046 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [2,0,0,0,0,0|2,0,0]=4 5047 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [2,0,0,0,0,0|2,0,0]=4 5048 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [2,0,0,0,0,0|2,0,0]=4 5049 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [2,0,0,0,0,0|2,0,0]=4 5050 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [2,0,0,0,0,0|2,0,0]=4 5051 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [2,0,0,0,0,0|1,0,0]=3 5052 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [2,0,0,0,0,0|2,0,0]=4 5053 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [2,0,0,0,0,0|2,0,0]=4 5054 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [2,0,0,0,0,0|2,0,0]=4 5055 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [2,0,0,0,0,0|2,0,0]=4 5056 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [2,0,0,0,0,0|2,0,0]=4 5057 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [2,0,0,0,0,0|2,0,0]=4 5058 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [2,0,0,0,0,0|2,0,0]=4 5059 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [2,0,0,0,0,0|2,0,0]=4 5060 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [2,0,0,0,0,0|2,0,0]=4 5061 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [2,0,0,0,0,0|2,0,0]=4 5062 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [2,0,0,0,0,0|2,0,0]=4 5063 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [2,0,0,0,0,0|2,0,0]=4 5064 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [2,0,0,0,0,0|2,0,0]=4 5065 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [2,0,0,0,0,0|2,0,0]=4 5066 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [2,0,0,0,0,0|2,0,0]=4 5067 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [2,0,0,0,0,0|2,0,0]=4 5068 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [2,0,0,0,0,0|2,0,0]=4 5069 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [2,0,0,0,0,0|2,0,0]=4 5070 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [2,0,0,0,0,0|2,0,0]=4 5071 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [2,0,0,0,0,0|2,0,0]=4 5072 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [2,0,0,0,0,0|2,0,0]=4 5073 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [2,0,0,0,0,0|2,0,0]=4 5074 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [2,0,0,0,0,0|2,0,0]=4 5075 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [2,0,0,0,0,0|1,0,0]=3 5076 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [2,0,0,0,0,0|1,0,0]=3 5077 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [2,0,0,0,0,0|2,0,0]=4 5078 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [2,0,0,0,0,0|2,0,0]=4 5079 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [2,0,0,0,0,0|2,0,0]=4 5080 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [2,0,0,0,0,0|2,0,0]=4 5081 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [2,0,0,0,0,0|2,0,0]=4 5082 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [2,0,0,0,0,0|2,0,0]=4 5083 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [2,0,0,0,0,0|2,0,0]=4 5084 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [2,0,0,0,0,0|2,0,0]=4 5085 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [2,0,0,0,0,0|2,0,0]=4 5086 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [2,0,0,0,0,0|2,0,0]=4 5087 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [2,0,0,0,0,0|2,0,0]=4 5088 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [2,0,0,0,0,0|2,0,0]=4 5089 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [2,0,0,0,0,0|2,0,0]=4 5090 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [2,0,0,0,0,0|1,0,0]=3 5091 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [2,0,0,0,0,0|1,0,0]=3 5092 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [2,0,0,0,0,0|1,0,0]=3 5093 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [2,0,0,0,0,0|2,0,0]=4 5094 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [2,0,0,0,0,0|2,0,0]=4 5095 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [2,0,0,0,0,0|2,0,0]=4 5096 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [2,0,0,0,0,0|2,0,0]=4 5097 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [2,0,0,0,0,0|2,0,0]=4 5098 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [2,0,0,0,0,0|2,0,0]=4 5099 B7R0.1 CCNCCSCC 2230a_100000106463_100000210202 [2,0,0,0,0,0|2,0,0]=4 5100 B7R0.1 CCNCCSCC 2230a_100015525214_100000757381 [2,0,0,0,0,0|2,0,0]=4 5101 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [2,0,0,0,0,0|2,0,0]=4 5102 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [2,0,0,0,0,0|2,0,0]=4 5103 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [2,0,0,0,0,0|2,0,0]=4 5104 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [2,0,0,0,0,0|2,0,0]=4 5105 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [2,0,0,0,0,0|2,0,0]=4 5106 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [2,0,0,0,0,0|2,0,0]=4 5107 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [2,0,0,0,0,0|2,0,0]=4 5108 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [2,0,0,0,0,0|2,0,0]=4 5109 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [2,0,0,0,0,0|1,0,0]=3 5110 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [2,0,0,0,0,0|2,0,0]=4 5111 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [2,0,0,0,0,0|2,0,0]=4 5112 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [2,0,0,0,0,0|2,0,0]=4 5113 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [2,0,0,0,0,0|2,0,0]=4 5114 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [2,0,0,0,0,0|2,0,0]=4 5115 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [2,0,0,0,0,0|2,0,0]=4 5116 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [2,0,0,0,0,0|2,0,0]=4 5117 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [2,0,0,0,0,0|2,0,0]=4 5118 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [2,0,0,0,0,0|2,0,0]=4 5119 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [2,0,0,0,0,0|2,0,0]=4 5120 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [2,0,0,0,0,0|2,0,0]=4 5121 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [2,0,0,0,0,0|2,0,0]=4 5122 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [2,0,0,0,0,0|2,0,0]=4 5123 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [2,0,0,0,0,0|2,0,0]=4 5124 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [2,0,0,0,0,0|2,0,0]=4 5125 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [2,0,0,0,0,0|2,0,0]=4 5126 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [2,0,0,0,0,0|2,0,0]=4 5127 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [2,0,0,0,0,0|2,0,0]=4 5128 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [2,0,0,0,0,0|2,0,0]=4 5129 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [2,0,0,0,0,0|2,0,0]=4 5130 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [2,0,0,0,0,0|2,0,0]=4 5131 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [2,0,0,0,0,0|2,0,0]=4 5132 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [2,0,0,0,0,0|2,0,0]=4 5133 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [2,0,0,0,0,0|2,0,0]=4 5134 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [2,0,0,0,0,0|2,0,0]=4 5135 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [2,0,0,0,0,0|2,0,0]=4 5136 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [2,0,0,0,0,0|2,0,0]=4 5137 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [2,0,0,0,0,0|2,0,0]=4 5138 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [2,0,0,0,0,0|2,0,0]=4 5139 B7R0.1 CCOCSCCO 62a_100000211926_100000739092 [2,0,0,0,0,0|2,0,0]=4 5140 B7R0.1 CCOCSCCO 62a_100000739092_100000211926 [2,0,0,0,0,0|2,0,0]=4 5141 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [2,0,0,0,0,0|2,0,0]=4 5142 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [2,0,0,0,0,0|2,0,0]=4 5143 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [2,0,0,0,0,0|1,0,0]=3 5144 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [2,0,0,0,0,0|1,0,0]=3 5145 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [2,0,0,0,0,0|2,0,0]=4 5146 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [2,0,0,0,0,0|2,0,0]=4 5147 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [2,0,0,0,0,0|2,0,0]=4 5148 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [2,0,0,0,0,0|2,0,0]=4 5149 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [2,0,0,0,0,0|2,0,0]=4 5150 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [2,0,0,0,0,0|2,0,0]=4 5151 B7R0.1 CCSCCSCC 62a_100000210202_100000757381 [2,0,0,0,0,0|2,0,0]=4 5152 B7R0.1 CCSCCSCC 62a_100000757381_100000210202 [2,0,0,0,0,0|2,0,0]=4 5153 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [2,0,0,0,0,0|2,0,0]=4 5154 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [2,0,0,0,0,0|2,0,0]=4 5155 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [2,0,0,0,0,0|2,0,0]=4 5156 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [2,0,0,0,0,0|1,0,0]=3 5157 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [2,0,0,0,0,0|1,0,0]=3 5158 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [2,0,0,0,0,0|1,0,0]=3 5159 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [2,0,0,0,0,0|1,0,0]=3 5160 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [2,0,0,0,0,0|1,0,0]=3 5161 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [2,0,0,0,0,0|2,0,0]=4 5162 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [2,0,0,0,0,0|2,0,0]=4 5163 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [2,0,0,0,0,0|2,0,0]=4 5164 B7R0.1 CNCCOCCO 2230a_100000211614_200000210301 [2,0,0,0,0,0|2,0,0]=4 5165 B7R0.1 CNCCOCCO 2230a_106832991635_100011215305 [2,0,0,0,0,0|2,0,0]=4 5166 B7R0.1 CNCCOCCO 34a_100000211614_200000210301 [2,0,0,0,0,0|2,0,0]=4 5167 B7R0.1 CNCCOCCO 34a_100102657272_100000692535 [2,0,0,0,0,0|2,0,0]=4 5168 B7R0.1 CNCCOCCO 7a_106832991635_100011215305 [2,0,0,0,0,0|2,0,0]=4 5169 B7R0.1 CNCCSCCO 2230a_100011219999_200000210301 [2,0,0,0,0,0|2,0,0]=4 5170 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [2,0,0,0,0,0|2,0,0]=4 5171 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [2,0,0,0,0,0|2,0,0]=4 5172 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [2,0,0,0,0,0|2,0,0]=4 5173 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [2,0,0,0,0,0|2,0,0]=4 5174 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [2,0,0,0,0,0|2,0,0]=4 5175 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [2,0,0,0,0,0|2,0,0]=4 5176 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [2,0,0,0,0,0|2,0,0]=4 5177 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [2,0,0,0,0,0|2,0,0]=4 5178 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [2,0,0,0,0,0|1,0,0]=3 5179 B7R0.1 COCCCCOC 34a_100000740925_200000210301 [2,0,0,0,0,0|2,0,0]=4 5180 B7R0.1 COCCCCOC 34a_100138415774_100000755781 [2,0,0,0,0,0|2,0,0]=4 5181 B7R0.1 COCCCCO[13CH3] 34a_100000740925_200025704644 [2,0,0,0,0,0|2,0,0]=4 5182 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [2,0,0,0,0,0|2,0,0]=4 5183 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [2,0,0,0,0,0|2,0,0]=4 5184 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [2,0,0,0,0,0|2,0,0]=4 5185 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [2,0,0,0,0,0|2,0,0]=4 5186 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [2,0,0,0,0,0|2,0,0]=4 5187 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [2,0,0,0,0,0|2,0,0]=4 5188 B7R0.1 COCCNCCO 2230a_100000209980_100000211926 [2,0,0,0,0,0|2,0,0]=4 5189 B7R0.1 COCCNCCO 2230a_100016997473_100011201679 [2,0,0,0,0,0|2,0,0]=4 5190 B7R0.1 COCCNCCO 34a_100016990907_100011201679 [2,0,0,0,0,0|2,0,0]=4 5191 B7R0.1 COCCOCCO 34a_100000210237_100000211926 [2,0,0,0,0,0|2,0,0]=4 5192 B7R0.1 COCCOCCO 34a_100138415774_100000692535 [2,0,0,0,0,0|2,0,0]=4 5193 B7R0.1 COCCSCCO 62a_100000211926_100000233755 [2,0,0,0,0,0|2,0,0]=4 5194 B7R0.1 COCCSCCO 62a_100000233755_100000211926 [2,0,0,0,0,0|2,0,0]=4 5195 B7R0.1 COCSCCCO 62a_100000766300_100011215043 [2,0,0,0,0,0|2,0,0]=4 5196 B7R0.1 COCSCCCO 62a_100011215043_100000766300 [2,0,0,0,0,0|2,0,0]=4 5197 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [2,0,0,0,0,0|2,0,0]=4 5198 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [2,0,0,0,0,0|2,0,0]=4 5199 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [2,0,0,0,0,0|1,0,0]=3 5200 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [2,0,0,0,0,0|1,0,0]=3 5201 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [2,0,0,0,0,0|2,0,0]=4 5202 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [2,0,0,0,0,0|2,0,0]=4 5203 B7R0.1 CSCCNCCO 2230a_100016997473_100000751147 [2,0,0,0,0,0|2,0,0]=4 5204 B7R0.1 CSCCNCCO 2230a_100020590264_100000211926 [2,0,0,0,0,0|2,0,0]=4 5205 B7R0.1 CSCCNCCO 34a_100016990907_100000212216 [2,0,0,0,0,0|2,0,0]=4 5206 B7R0.1 CSCCOCCO 34a_100000230434_100000211926 [2,0,0,0,0,0|2,0,0]=4 5207 B7R0.1 CSCCOCCO 62a_100011215305_200000210301 [2,0,0,0,0,0|2,0,0]=4 5208 B7R0.1 CSCCOCCO 62a_200000210301_100011215305 [2,0,0,0,0,0|2,0,0]=4 5209 B7R0.1 CSCCOCCO 7a_100000230434_100000211926 [2,0,0,0,0,0|2,0,0]=4 5210 B7R0.1 CSCCSCCO 62a_100000211926_100000751147 [2,0,0,0,0,0|2,0,0]=4 5211 B7R0.1 CSCCSCCO 62a_100000212216_100000211926 [2,0,0,0,0,0|2,0,0]=4 5212 B7R0.1 CSCSCCCO 62a_100011215043_100011218213 [2,0,0,0,0,0|2,0,0]=4 5213 B7R0.1 CSCSCCCO 62a_100011218213_100011215043 [2,0,0,0,0,0|2,0,0]=4 5214 B7R0.1 NCCCOCCO 34a_100000182051_100000211926 [2,0,0,0,0,0|2,0,0]=4 5215 B7R0.1 NCCOCCCO 34a_100000210304_100000230001 [2,0,0,0,0,0|2,0,0]=4 5216 B7R0.1 OCCCCNCF 34a_100000750430_100015361967 [2,0,0,0,0,0|2,0,0]=4 5217 B7R0.1 OCCCCSCF 62a_100000210776_100015361967 [2,0,0,0,0,0|2,0,0]=4 5218 B7R0.1 OCCCCSCF 62a_100015361967_100000210776 [2,0,0,0,0,0|2,0,0]=4 5219 B7R0.1 OCCCNCCF 34a_100000724931_100000230001 [2,0,0,0,0,0|2,0,0]=4 5220 B7R0.1 OCCCNCCO 2230a_100016997473_100000230001 [2,0,0,0,0,0|2,0,0]=4 5221 B7R0.1 OCCCNCCO 34a_100016990907_100000230001 [2,0,0,0,0,0|2,0,0]=4 5222 B7R0.1 OCCCOCCBr 34a_100000211926_100000230001 [2,0,0,0,0,0|2,0,0]=4 5223 B7R0.1 OCCCSCCF 62a_100011215043_100011217306 [2,0,0,0,0,0|2,0,0]=4 5224 B7R0.1 OCCCSCCF 62a_100011217306_100011215043 [2,0,0,0,0,0|2,0,0]=4 5225 B7R0.1 OCCCSCCO 62a_100000211926_100011215043 [2,0,0,0,0,0|2,0,0]=4 5226 B7R0.1 OCCCSCCO 62a_100011215043_100000211926 [2,0,0,0,0,0|2,0,0]=4 5227 B7R0.1 OCCNCCCF 2230a_100015189416_100000211926 [2,0,0,0,0,0|2,0,0]=4 5228 B7R0.1 OCCNCCCF 2230a_100016997473_100011934791 [2,0,0,0,0,0|2,0,0]=4 5229 B7R0.1 OCCNCCCF 34a_100015189416_100000211926 [2,0,0,0,0,0|2,0,0]=4 5230 B7R0.1 OCCNCCCF 34a_100016990907_100011934791 [2,0,0,0,0,0|2,0,0]=4 5231 B7R0.1 OCCOCCCBr 34a_100011217188_100000211926 [2,0,0,0,0,0|2,0,0]=4 5232 B7R0.1 OCCOCCCCl 34a_100000230001_100000211926 [2,0,0,0,0,0|2,0,0]=4 5233 B7R0.1 OCCOCCCF 34a_100000759539_100000211926 [2,0,0,0,0,0|2,0,0]=4 5234 B7R0.1 OCCSCCCF 62a_100000211926_100011934791 [2,0,0,0,0,0|2,0,0]=4 5235 B7R0.1 OCCSCCCF 62a_100011934791_100000211926 [2,0,0,0,0,0|2,0,0]=4 5236 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [2,0,0,0,0,0|1,0,0]=3 5237 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [2,0,0,0,0,0|1,0,0]=3 5238 B7R0.1 [13CH3]NCCOCCO 2230a_100000211614_200025704644 [2,0,0,0,0,0|2,0,0]=4 5239 B7R0.1 [13CH3]NCCOCCO 34a_100000211614_200025704644 [2,0,0,0,0,0|2,0,0]=4 5240 B7R0.1 [13CH3]NCCSCCO 2230a_100011219999_200025704644 [2,0,0,0,0,0|2,0,0]=4 5241 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [2,0,0,0,0,0|2,0,0]=4 5242 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [2,0,0,0,0,0|2,0,0]=4 5243 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [2,0,0,0,0,0|2,0,0]=4 5244 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [2,0,0,0,0,0|2,0,0]=4 5245 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [2,0,0,0,0,0|2,0,0]=4 5246 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [2,0,0,0,0,0|2,0,0]=4 5247 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [2,0,0,0,0,0|2,0,0]=4 5248 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [2,0,0,0,0,0|2,0,0]=4 5249 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [2,0,0,0,0,0|2,0,0]=4 5250 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [2,0,0,0,0,0|1,0,0]=3 5251 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [2,0,0,0,0,0|1,0,0]=3 5252 B7R0.1 [13CH3]SCCOCCO 62a_100011215305_200025704644 [2,0,0,0,0,0|2,0,0]=4 5253 B7R0.1 [13CH3]SCCOCCO 62a_200025704644_100011215305 [2,0,0,0,0,0|2,0,0]=4 5254 B7R0.3 CC(CO)CCN[13CH3] 2230a_106354213184_200025704644 [2,0,0,0,0,0|2,0,0]=4 5255 B7R0.3 CC(CO)CCN[13CH3] 34a_106354213184_200025704644 [2,0,0,0,0,0|2,0,0]=4 5256 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [2,0,0,0,0,0|0,0,2]=4 5257 B7R0.3 CCCN[C@H](C)CO 2230a_100000737577_100000210303 [2,0,0,0,0,0|2,0,0]=4 5258 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [2,0,0,0,0,0|2,0,0]=4 5259 B7R0.3 CCCSC(C)CO 62a_100012180447_100000210303 [2,0,0,0,0,0|2,0,0]=4 5260 B7R0.3 CCCS[C@H](C)CO 62a_100000210303_100016084084 [2,0,0,0,0,0|2,0,0]=4 5261 B7R0.3 CCCS[C@H](C)CO 62a_100016084084_100000210303 [2,0,0,0,0,0|2,0,0]=4 5262 B7R0.3 CCNCC(C)CO 34a_100000744482_100000210202 [2,0,0,0,0,0|2,0,0]=4 5263 B7R0.3 CCNCC(O)CC 2230a_100011218483_100000210202 [2,0,0,0,0,0|2,0,0]=4 5264 B7R0.3 CCNCC(O)CC 2230a_100015525214_100011218378 [2,0,0,0,0,0|2,0,0]=4 5265 B7R0.3 CCNCC(O)CO 2230a_100015525214_100011219619 [2,0,0,0,0,0|1,0,0]=3 5266 B7R0.3 CCNC[C@@H](C)CO 2230a_100015525214_100000059175 [2,0,0,0,0,0|2,0,0]=4 5267 B7R0.3 CCNC[C@@H](F)CO 34a_100015665980_100000210202 [2,0,0,0,0,0|2,0,0]=4 5268 B7R0.3 CCNC[C@@H](O)CF 2230a_100015525214_100015614560 [2,0,0,0,0,0|2,0,0]=4 5269 B7R0.3 CCNC[C@@H](O)CO 2230a_100015525214_100009815848 [2,0,0,0,0,0|1,0,0]=3 5270 B7R0.3 CCNC[C@H](O)CO 2230a_100020644852_100000210202 [2,0,0,0,0,0|1,0,0]=3 5271 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [2,0,0,0,0,0|2,0,0]=4 5272 B7R0.3 CCOCC(O)CO 34a_100121572206_100011219619 [2,0,0,0,0,0|1,0,0]=3 5273 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [2,0,0,0,0,0|2,0,0]=4 5274 B7R0.3 CCOC[C@@H](O)CF 34a_100121572206_100015614560 [2,0,0,0,0,0|2,0,0]=4 5275 B7R0.3 CCOC[C@@H](O)CO 34a_100121572206_100009815848 [2,0,0,0,0,0|1,0,0]=3 5276 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [2,0,0,0,0,0|2,0,0]=4 5277 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [2,0,0,0,0,0|2,0,0]=4 5278 B7R0.3 CCSCC(O)CO 62a_100000210202_100011219619 [2,0,0,0,0,0|1,0,0]=3 5279 B7R0.3 CCSCC(O)CO 62a_100011219619_100000210202 [2,0,0,0,0,0|1,0,0]=3 5280 B7R0.3 CCSC[C@@H](C)CO 62a_100000059175_100000210202 [2,0,0,0,0,0|2,0,0]=4 5281 B7R0.3 CCSC[C@@H](C)CO 62a_100000210202_100000059175 [2,0,0,0,0,0|2,0,0]=4 5282 B7R0.3 CCSC[C@@H](O)CF 62a_100000210202_100015614560 [2,0,0,0,0,0|2,0,0]=4 5283 B7R0.3 CCSC[C@@H](O)CF 62a_100015614560_100000210202 [2,0,0,0,0,0|2,0,0]=4 5284 B7R0.3 CCSC[C@@H](O)CO 62a_100000210202_100009815848 [2,0,0,0,0,0|1,0,0]=3 5285 B7R0.3 CCSC[C@@H](O)CO 62a_100009815848_100000210202 [2,0,0,0,0,0|1,0,0]=3 5286 B7R0.3 CNCCC(C)CO 2230a_106354213184_200000210301 [2,0,0,0,0,0|2,0,0]=4 5287 B7R0.3 CNCCC(C)CO 34a_106354213184_200000210301 [2,0,0,0,0,0|2,0,0]=4 5288 B7R0.3 OCC(O)CSCF 62a_100011219619_100015361967 [2,0,0,0,0,0|2,0,0]=4 5289 B7R0.3 OCC(O)CSCF 62a_100015361967_100011219619 [2,0,0,0,0,0|2,0,0]=4 5290 B7R0.3 OC[C@H](O)CSCF 62a_100009815848_100015361967 [2,0,0,0,0,0|2,0,0]=4 5291 B7R0.3 OC[C@H](O)CSCF 62a_100015361967_100009815848 [2,0,0,0,0,0|2,0,0]=4 5292 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [2,0,0,0,0,0|2,0,0]=4 5293 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [2,0,0,0,0,0|2,0,0]=4 5294 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [2,0,0,0,0,0|2,0,0]=4 5295 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [2,0,0,0,0,0|2,0,0]=4 5296 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [2,0,0,0,0,0|2,0,0]=4 5297 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [2,0,0,0,0,0|2,0,0]=4 5298 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [2,0,0,0,0,0|1,0,0]=3 5299 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [2,0,0,0,0,0|1,0,0]=3 5300 B7R0.4 CC(O)CCSCF 62a_100012276601_100015361967 [2,0,0,0,0,0|2,0,0]=4 5301 B7R0.4 CC(O)CCSCF 62a_100015361967_100012276601 [2,0,0,0,0,0|2,0,0]=4 5302 B7R0.4 CC(O)CNCCF 2230a_100000210904_100011217306 [2,0,0,0,0,0|2,0,0]=4 5303 B7R0.4 CC(O)CNCCF 34a_100000210904_100011217306 [2,0,0,0,0,0|2,0,0]=4 5304 B7R0.4 CC(O)CNCCF 34a_100000724931_100011218427 [2,0,0,0,0,0|2,0,0]=4 5305 B7R0.4 CC(O)CNCCO 2230a_100000210904_100000211926 [2,0,0,0,0,0|2,0,0]=4 5306 B7R0.4 CC(O)CNCCO 2230a_100016997473_100011218427 [2,0,0,0,0,0|2,0,0]=4 5307 B7R0.4 CC(O)CNCCO 34a_100000210904_100000211926 [2,0,0,0,0,0|2,0,0]=4 5308 B7R0.4 CC(O)CNCCO 34a_100016990907_100011218427 [2,0,0,0,0,0|2,0,0]=4 5309 B7R0.4 CC(O)COCCBr 34a_100000211926_100011218427 [2,0,0,0,0,0|2,0,0]=4 5310 B7R0.4 CC(O)COCCN 34a_100000210304_100011218427 [2,0,0,0,0,0|2,0,0]=4 5311 B7R0.4 CC(O)CSCCF 62a_100011217306_100011218427 [2,0,0,0,0,0|2,0,0]=4 5312 B7R0.4 CC(O)CSCCF 62a_100011218427_100011217306 [2,0,0,0,0,0|2,0,0]=4 5313 B7R0.4 CC(O)CSCCO 62a_100000211926_100011218427 [2,0,0,0,0,0|2,0,0]=4 5314 B7R0.4 CC(O)CSCCO 62a_100011218427_100000211926 [2,0,0,0,0,0|2,0,0]=4 5315 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [2,0,0,0,0,0|0,0,2]=4 5316 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [2,0,0,0,0,0|0,0,2]=4 5317 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [2,0,0,0,0,0|0,0,2]=4 5318 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [2,0,0,0,0,0|2,0,0]=4 5319 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [2,0,0,0,0,0|2,0,0]=4 5320 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [2,0,0,0,0,0|2,0,0]=4 5321 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [2,0,0,0,0,0|2,0,0]=4 5322 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [2,0,0,0,0,0|2,0,0]=4 5323 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [2,0,0,0,0,0|2,0,0]=4 5324 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [2,0,0,0,0,0|2,0,0]=4 5325 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [2,0,0,0,0,0|2,0,0]=4 5326 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [2,0,0,0,0,0|2,0,0]=4 5327 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [2,0,0,0,0,0|2,0,0]=4 5328 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [2,0,0,0,0,0|2,0,0]=4 5329 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [2,0,0,0,0,0|2,0,0]=4 5330 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [2,0,0,0,0,0|2,0,0]=4 5331 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [2,0,0,0,0,0|2,0,0]=4 5332 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [2,0,0,0,0,0|2,0,0]=4 5333 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [2,0,0,0,0,0|2,0,0]=4 5334 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [2,0,0,0,0,0|2,0,0]=4 5335 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [2,0,0,0,0,0|2,0,0]=4 5336 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [2,0,0,0,0,0|1,0,0]=3 5337 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [2,0,0,0,0,0|1,0,0]=3 5338 B7R0.4 CCCOCC(C)Br 34a_100012180447_100000210303 [2,0,0,0,0,0|2,0,0]=4 5339 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [2,0,0,0,0,0|2,0,0]=4 5340 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [2,0,0,0,0,0|2,0,0]=4 5341 B7R0.4 CCCOCC(C)F 34a_100015925927_100000210303 [2,0,0,0,0,0|2,0,0]=4 5342 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [2,0,0,0,0,0|1,0,0]=3 5343 B7R0.4 CCCOC[C@@H](C)Cl 34a_100016084084_100000210303 [2,0,0,0,0,0|2,0,0]=4 5344 B7R0.4 CCCOC[C@@H](C)N 34a_100000737577_100000210303 [2,0,0,0,0,0|2,0,0]=4 5345 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [2,0,0,0,0,0|1,0,0]=3 5346 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [2,0,0,0,0,0|2,0,0]=4 5347 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [2,0,0,0,0,0|2,0,0]=4 5348 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [2,0,0,0,0,0|1,0,0]=3 5349 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [2,0,0,0,0,0|1,0,0]=3 5350 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [2,0,0,0,0,0|1,0,0]=3 5351 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [2,0,0,0,0,0|1,0,0]=3 5352 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [2,0,0,0,0,0|2,0,0]=4 5353 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [2,0,0,0,0,0|2,0,0]=4 5354 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [2,0,0,0,0,0|1,0,0]=3 5355 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [2,0,0,0,0,0|1,0,0]=3 5356 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [2,0,0,0,0,0|2,0,0]=4 5357 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [2,0,0,0,0,0|2,0,0]=4 5358 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [2,0,0,0,0,0|2,0,0]=4 5359 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [2,0,0,0,0,0|2,0,0]=4 5360 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [2,0,0,0,0,0|1,0,0]=3 5361 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [2,0,0,0,0,0|2,0,0]=4 5362 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [2,0,0,0,0,0|2,0,0]=4 5363 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [2,0,0,0,0,0|2,0,0]=4 5364 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [2,0,0,0,0,0|1,0,0]=3 5365 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [2,0,0,0,0,0|1,0,0]=3 5366 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [2,0,0,0,0,0|2,0,0]=4 5367 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [2,0,0,0,0,0|2,0,0]=4 5368 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [2,0,0,0,0,0|2,0,0]=4 5369 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [2,0,0,0,0,0|2,0,0]=4 5370 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [2,0,0,0,0,0|2,0,0]=4 5371 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [2,0,0,0,0,0|1,0,0]=3 5372 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [2,0,0,0,0,0|1,0,0]=3 5373 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [2,0,0,0,0,0|1,0,0]=3 5374 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [2,0,0,0,0,0|2,0,0]=4 5375 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [2,0,0,0,0,0|2,0,0]=4 5376 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [2,0,0,0,0,0|2,0,0]=4 5377 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [2,0,0,0,0,0|1,0,0]=3 5378 B7R0.4 COCNCC(C)O 2230a_100000210904_100000766300 [2,0,0,0,0,0|2,0,0]=4 5379 B7R0.4 COCSCC(C)O 62a_100000766300_100011218427 [2,0,0,0,0,0|2,0,0]=4 5380 B7R0.4 COCSCC(C)O 62a_100011218427_100000766300 [2,0,0,0,0,0|2,0,0]=4 5381 B7R0.4 COCSC[C@@H](C)O 62a_100000766300_100009817552 [2,0,0,0,0,0|2,0,0]=4 5382 B7R0.4 COCSC[C@@H](C)O 62a_100009817552_100000766300 [2,0,0,0,0,0|2,0,0]=4 5383 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [2,0,0,0,0,0|2,0,0]=4 5384 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [2,0,0,0,0,0|2,0,0]=4 5385 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [2,0,0,0,0,0|1,0,0]=3 5386 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [2,0,0,0,0,0|1,0,0]=3 5387 B7R0.4 CSCNCC(C)O 2230a_100000210904_100011218213 [2,0,0,0,0,0|2,0,0]=4 5388 B7R0.4 CSCNCC(C)O 34a_100000210904_100011218213 [2,0,0,0,0,0|2,0,0]=4 5389 B7R0.4 CSCSCC(C)O 62a_100011218213_100011218427 [2,0,0,0,0,0|2,0,0]=4 5390 B7R0.4 CSCSCC(C)O 62a_100011218427_100011218213 [2,0,0,0,0,0|2,0,0]=4 5391 B7R0.4 CSCSC[C@@H](C)O 62a_100009817552_100011218213 [2,0,0,0,0,0|2,0,0]=4 5392 B7R0.4 CSCSC[C@@H](C)O 62a_100011218213_100009817552 [2,0,0,0,0,0|2,0,0]=4 5393 B7R0.4 C[C@@H](O)CNCCF 34a_100000724931_100009817552 [2,0,0,0,0,0|2,0,0]=4 5394 B7R0.4 C[C@@H](O)CNCCO 2230a_100016997473_100009817552 [2,0,0,0,0,0|2,0,0]=4 5395 B7R0.4 C[C@@H](O)CNCCO 34a_100016990907_100009817552 [2,0,0,0,0,0|2,0,0]=4 5396 B7R0.4 C[C@@H](O)COCCBr 34a_100000211926_100009817552 [2,0,0,0,0,0|2,0,0]=4 5397 B7R0.4 C[C@@H](O)COCCN 34a_100000210304_100009817552 [2,0,0,0,0,0|2,0,0]=4 5398 B7R0.4 C[C@@H](O)CSCCF 62a_100009817552_100011217306 [2,0,0,0,0,0|2,0,0]=4 5399 B7R0.4 C[C@@H](O)CSCCF 62a_100011217306_100009817552 [2,0,0,0,0,0|2,0,0]=4 5400 B7R0.4 C[C@@H](O)CSCCO 62a_100000211926_100009817552 [2,0,0,0,0,0|2,0,0]=4 5401 B7R0.4 C[C@@H](O)CSCCO 62a_100009817552_100000211926 [2,0,0,0,0,0|2,0,0]=4 5402 B9R0.2 C=C(C)CCOCCCO 34a_100000764851_100000230001 [1,1,0,0,0,0|1,0,1]=4 5403 B9R0.2 C=C(C)CCSCCCO 62a_100000730704_100011215043 [1,1,0,0,0,0|1,0,1]=4 5404 B9R0.2 C=C(C)CCSCCCO 62a_100011215043_100000730704 [1,1,0,0,0,0|1,0,1]=4 5405 B9R0.2 C=C(C)CNCCCCO 2230a_100000750430_100000748629 [1,1,0,0,0,0|1,0,1]=4 5406 B9R0.2 C=C(C)CNCCCCO 34a_100000750430_100000748629 [1,1,0,0,0,0|1,0,1]=4 5407 B9R0.2 C=C(C)COCCCCO 34a_100000210245_100011216708 [1,1,0,0,0,0|1,0,1]=4 5408 B9R0.2 C=C(C)CSCCCCO 62a_100000210776_100000211660 [1,1,0,0,0,0|1,0,1]=4 5409 B9R0.2 C=C(C)CSCCCCO 62a_100000748629_100000210776 [1,1,0,0,0,0|1,0,1]=4 5410 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [1,1,0,0,0,0|1,0,1]=4 5411 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [1,1,0,0,0,0|0,0,1]=3 5412 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [1,1,0,0,0,0|0,0,1]=3 5413 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [1,1,0,0,0,0|1,0,1]=4 5414 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [1,1,0,0,0,0|1,0,1]=4 5415 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [1,1,0,0,0,0|1,0,1]=4 5416 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [1,1,0,0,0,0|1,0,1]=4 5417 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [1,1,0,0,0,0|1,0,1]=4 5418 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [1,1,0,0,0,0|1,0,1]=4 5419 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [1,1,0,0,0,0|1,0,1]=4 5420 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [1,1,0,0,0,0|1,0,1]=4 5421 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [1,1,0,0,0,0|1,0,1]=4 5422 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [1,1,0,0,0,0|1,0,1]=4 5423 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [1,1,0,0,0,0|1,0,1]=4 5424 B9R0.2 CC(Br)CCOCCCF 34a_100009893172_100011934791 [1,1,0,0,0,0|2,0,0]=4 5425 B9R0.2 CC(Br)CCOCCCO 34a_100009893172_100000230001 [1,1,0,0,0,0|1,0,0]=3 5426 B9R0.2 CC(Br)COCCCCF 34a_100012180447_100000729493 [1,1,0,0,0,0|2,0,0]=4 5427 B9R0.2 CC(Br)COCCCCO 34a_100012180447_100011216708 [1,1,0,0,0,0|1,0,0]=3 5428 B9R0.2 CC(C)CCCCCN[13CH3] 2230a_100011290863_200025704644 [1,1,0,0,0,0|2,0,0]=4 5429 B9R0.2 CC(C)CCCCCN[13CH3] 34a_100011290863_200025704644 [1,1,0,0,0,0|2,0,0]=4 5430 B9R0.2 CC(C)CCCCCO[13CH3] 34a_100011995859_200025704644 [1,1,0,0,0,0|2,0,0]=4 5431 B9R0.2 CC(C)CCCCCO[13CH3] 7a_100011995859_200025704644 [1,1,0,0,0,0|2,0,0]=4 5432 B9R0.2 CC(C)CCCCCS[13CH3] 62a_100000210682_200025704644 [1,1,0,0,0,0|2,0,0]=4 5433 B9R0.2 CC(C)CCCCCS[13CH3] 62a_200025704644_100000210682 [1,1,0,0,0,0|2,0,0]=4 5434 B9R0.2 CC(C)CCCCOCF 34a_100011214890_100015361967 [1,1,0,0,0,0|2,0,0]=4 5435 B9R0.2 CC(C)CCCCOCF 7a_100011214890_100015361967 [1,1,0,0,0,0|2,0,0]=4 5436 B9R0.2 CC(C)CCCCSCF 62a_100011216152_100015361967 [1,1,0,0,0,0|2,0,0]=4 5437 B9R0.2 CC(C)CCCCSCF 62a_100015361967_100011216152 [1,1,0,0,0,0|2,0,0]=4 5438 B9R0.2 CC(C)CCCNCCF 2230a_200000737386_100011217306 [1,1,0,0,0,0|2,0,0]=4 5439 B9R0.2 CC(C)CCCNCCF 34a_100000724931_100011214892 [1,1,0,0,0,0|2,0,0]=4 5440 B9R0.2 CC(C)CCCNCCF 34a_200000737386_100011217306 [1,1,0,0,0,0|2,0,0]=4 5441 B9R0.2 CC(C)CCCNCCO 2230a_100016997473_100011214892 [1,1,0,0,0,0|1,0,0]=3 5442 B9R0.2 CC(C)CCCNCCO 2230a_200000737386_100000211926 [1,1,0,0,0,0|1,0,0]=3 5443 B9R0.2 CC(C)CCCNCCO 34a_100016990907_100011214892 [1,1,0,0,0,0|1,0,0]=3 5444 B9R0.2 CC(C)CCCNCCO 34a_200000737386_100000211926 [1,1,0,0,0,0|1,0,0]=3 5445 B9R0.2 CC(C)CCCOCCBr 34a_100000211926_100011214892 [1,1,0,0,0,0|2,0,0]=4 5446 B9R0.2 CC(C)CCCOCCF 34a_100000210774_100011217306 [1,1,0,0,0,0|2,0,0]=4 5447 B9R0.2 CC(C)CCCOCCF 7a_100000210774_100011217306 [1,1,0,0,0,0|2,0,0]=4 5448 B9R0.2 CC(C)CCCOCCN 34a_100000210304_100011214892 [1,1,0,0,0,0|2,0,0]=4 5449 B9R0.2 CC(C)CCCOCCO 34a_100000210774_100000211926 [1,1,0,0,0,0|1,0,0]=3 5450 B9R0.2 CC(C)CCCOCCO 7a_100000210774_100000211926 [1,1,0,0,0,0|1,0,0]=3 5451 B9R0.2 CC(C)CCCSCCF 62a_100011214892_100011217306 [1,1,0,0,0,0|2,0,0]=4 5452 B9R0.2 CC(C)CCCSCCF 62a_100011217306_100011214892 [1,1,0,0,0,0|2,0,0]=4 5453 B9R0.2 CC(C)CCCSCCO 62a_100000211926_100011214892 [1,1,0,0,0,0|1,0,0]=3 5454 B9R0.2 CC(C)CCCSCCO 62a_100011214892_100000211926 [1,1,0,0,0,0|1,0,0]=3 5455 B9R0.2 CC(C)CCNCCCF 2230a_100015189416_100000210312 [1,1,0,0,0,0|2,0,0]=4 5456 B9R0.2 CC(C)CCNCCCF 269862a_100015189416_100000185833 [1,1,0,0,0,0|2,0,0]=4 5457 B9R0.2 CC(C)CCNCCCF 34a_100015189416_100000210312 [1,1,0,0,0,0|2,0,0]=4 5458 B9R0.2 CC(C)CCNCCCO 269862a_100000182051_100000185833 [1,1,0,0,0,0|1,0,0]=3 5459 B9R0.2 CC(C)CCOCCCBr 34a_100011217188_100000210312 [1,1,0,0,0,0|2,0,0]=4 5460 B9R0.2 CC(C)CCOCCCCl 34a_100000230001_100000210312 [1,1,0,0,0,0|2,0,0]=4 5461 B9R0.2 CC(C)CCOCCCF 34a_100000210254_100011934791 [1,1,0,0,0,0|2,0,0]=4 5462 B9R0.2 CC(C)CCOCCCF 34a_100000759539_100000210312 [1,1,0,0,0,0|2,0,0]=4 5463 B9R0.2 CC(C)CCOCCCF 7a_100000210254_100011934791 [1,1,0,0,0,0|2,0,0]=4 5464 B9R0.2 CC(C)CCOCCCN 34a_100000182051_100000210312 [1,1,0,0,0,0|2,0,0]=4 5465 B9R0.2 CC(C)CCOCCCO 34a_100000210254_100000230001 [1,1,0,0,0,0|1,0,0]=3 5466 B9R0.2 CC(C)CCOCCCO 7a_100000210254_100011215043 [1,1,0,0,0,0|1,0,0]=3 5467 B9R0.2 CC(C)CCSCCCF 62a_100000210312_100011934791 [1,1,0,0,0,0|2,0,0]=4 5468 B9R0.2 CC(C)CCSCCCF 62a_100011934791_100000210312 [1,1,0,0,0,0|2,0,0]=4 5469 B9R0.2 CC(C)CCSCCCO 62a_100000210312_100011215043 [1,1,0,0,0,0|1,0,0]=3 5470 B9R0.2 CC(C)CCSCCCO 62a_100011215043_100000210312 [1,1,0,0,0,0|1,0,0]=3 5471 B9R0.2 CC(C)CNCCCCF 2230a_100000210953_100000729493 [1,1,0,0,0,0|2,0,0]=4 5472 B9R0.2 CC(C)CNCCCCF 34a_100000210953_100000729493 [1,1,0,0,0,0|2,0,0]=4 5473 B9R0.2 CC(C)CNCCCCO 2230a_100000210953_100000210776 [1,1,0,0,0,0|1,0,0]=3 5474 B9R0.2 CC(C)CNCCCCO 2230a_100000750430_100000210760 [1,1,0,0,0,0|1,0,0]=3 5475 B9R0.2 CC(C)CNCCCCO 270004a_100000750430_100000210432 [1,1,0,0,0,0|1,0,0]=3 5476 B9R0.2 CC(C)CNCCCCO 34a_100000210953_100011216708 [1,1,0,0,0,0|1,0,0]=3 5477 B9R0.2 CC(C)CNCCCCO 34a_100000750430_100000210624 [1,1,0,0,0,0|1,0,0]=3 5478 B9R0.2 CC(C)COCCCCBr 34a_100011216708_100000210624 [1,1,0,0,0,0|2,0,0]=4 5479 B9R0.2 CC(C)COCCCCCl 34a_100000210776_100000210624 [1,1,0,0,0,0|2,0,0]=4 5480 B9R0.2 CC(C)COCCCCCl 7a_100000210776_100000210760 [1,1,0,0,0,0|2,0,0]=4 5481 B9R0.2 CC(C)COCCCCF 34a_100000210257_100000729493 [1,1,0,0,0,0|2,0,0]=4 5482 B9R0.2 CC(C)COCCCCF 34a_100011995726_100000210624 [1,1,0,0,0,0|2,0,0]=4 5483 B9R0.2 CC(C)COCCCCF 7a_100011995726_100000210760 [1,1,0,0,0,0|2,0,0]=4 5484 B9R0.2 CC(C)COCCCCI 34a_200012148704_100000210624 [1,1,0,0,0,0|2,0,0]=4 5485 B9R0.2 CC(C)COCCCCN 34a_100000750430_100000210624 [1,1,0,0,0,0|2,0,0]=4 5486 B9R0.2 CC(C)COCCCCO 34a_100000210257_100011216708 [1,1,0,0,0,0|1,0,0]=3 5487 B9R0.2 CC(C)CSCCCCF 62a_100000210624_100000729493 [1,1,0,0,0,0|2,0,0]=4 5488 B9R0.2 CC(C)CSCCCCF 62a_100000729493_100000210760 [1,1,0,0,0,0|2,0,0]=4 5489 B9R0.2 CC(C)CSCCCCO 62a_100000210624_100000210776 [1,1,0,0,0,0|1,0,0]=3 5490 B9R0.2 CC(C)CSCCCCO 62a_100000210776_100000210760 [1,1,0,0,0,0|1,0,0]=3 5491 B9R0.2 CC(C)NCCCCCF 2230a_100138425928_100000729378 [1,1,0,0,0,0|2,0,0]=4 5492 B9R0.2 CC(C)NCCCCCF 34a_100138425928_100000729378 [1,1,0,0,0,0|2,0,0]=4 5493 B9R0.2 CC(C)NCCCCCO 2230a_100000762737_100000210206 [1,1,0,0,0,0|1,0,0]=3 5494 B9R0.2 CC(C)NCCCCCO 2230a_100138425928_100000746330 [1,1,0,0,0,0|1,0,0]=3 5495 B9R0.2 CC(C)NCCCCCO 34a_100000762737_100000210206 [1,1,0,0,0,0|1,0,0]=3 5496 B9R0.2 CC(C)NCCCCCO 34a_100138425928_100000746330 [1,1,0,0,0,0|1,0,0]=3 5497 B9R0.2 CC(C)NCCOCCO 2230a_100000211614_100000210206 [1,1,0,0,0,0|2,0,0]=4 5498 B9R0.2 CC(C)NCCOCCO 2230a_100138425928_100011215305 [1,1,0,0,0,0|2,0,0]=4 5499 B9R0.2 CC(C)NCCOCCO 34a_100000211614_100000210206 [1,1,0,0,0,0|2,0,0]=4 5500 B9R0.2 CC(C)NCCOCCO 34a_100000224655_100000211926 [1,1,0,0,0,0|2,0,0]=4 5501 B9R0.2 CC(C)NCCOCCO 34a_100138425928_100000692535 [1,1,0,0,0,0|2,0,0]=4 5502 B9R0.2 CC(C)NCCSCCO 2230a_100011219999_100000210206 [1,1,0,0,0,0|2,0,0]=4 5503 B9R0.2 CC(C)OCCCCCBr 34a_100000746331_100000210206 [1,1,0,0,0,0|2,0,0]=4 5504 B9R0.2 CC(C)OCCCCCBr 7a_100000746331_100000210206 [1,1,0,0,0,0|2,0,0]=4 5505 B9R0.2 CC(C)OCCCCCCl 34a_100000746330_100000210206 [1,1,0,0,0,0|2,0,0]=4 5506 B9R0.2 CC(C)OCCCCCCl 7a_100000746330_100000210206 [1,1,0,0,0,0|2,0,0]=4 5507 B9R0.2 CC(C)OCCCCCF 34a_100000212225_100000729378 [1,1,0,0,0,0|2,0,0]=4 5508 B9R0.2 CC(C)OCCCCCI 34a_200012148887_100000210206 [1,1,0,0,0,0|2,0,0]=4 5509 B9R0.2 CC(C)OCCCCCI 7a_200012148887_100000210206 [1,1,0,0,0,0|2,0,0]=4 5510 B9R0.2 CC(C)OCCCCCN 34a_100000762737_100000210206 [1,1,0,0,0,0|2,0,0]=4 5511 B9R0.2 CC(C)OCCCCCO 34a_100000212225_100000746330 [1,1,0,0,0,0|1,0,0]=3 5512 B9R0.2 CC(C)OCCNCCO 2230a_100000701111_100000211926 [1,1,0,0,0,0|2,0,0]=4 5513 B9R0.2 CC(C)OCCNCCO 2230a_100016997473_100000211751 [1,1,0,0,0,0|2,0,0]=4 5514 B9R0.2 CC(C)OCCNCCO 34a_100000701111_100000211926 [1,1,0,0,0,0|2,0,0]=4 5515 B9R0.2 CC(C)OCCNCCO 34a_100016990907_100000211751 [1,1,0,0,0,0|2,0,0]=4 5516 B9R0.2 CC(C)OCCOCCO 34a_100000211219_100000211926 [1,1,0,0,0,0|2,0,0]=4 5517 B9R0.2 CC(C)OCCOCCO 34a_100000212225_100000692535 [1,1,0,0,0,0|2,0,0]=4 5518 B9R0.2 CC(C)OCCOCCO 7a_100000211219_100000211926 [1,1,0,0,0,0|2,0,0]=4 5519 B9R0.2 CC(C)OCCSCCO 62a_100000211751_100000211926 [1,1,0,0,0,0|2,0,0]=4 5520 B9R0.2 CC(C)OCCSCCO 62a_100000211926_100000211751 [1,1,0,0,0,0|2,0,0]=4 5521 B9R0.2 CC(C)OCSCCCO 62a_100000709892_100011215043 [1,1,0,0,0,0|2,0,0]=4 5522 B9R0.2 CC(C)OCSCCCO 62a_100011215043_100000709892 [1,1,0,0,0,0|2,0,0]=4 5523 B9R0.2 CC(C)SCCCCCF 62a_100000210206_100000729378 [1,1,0,0,0,0|2,0,0]=4 5524 B9R0.2 CC(C)SCCCCCF 62a_100000729378_100000210206 [1,1,0,0,0,0|2,0,0]=4 5525 B9R0.2 CC(C)SCCCCCO 62a_100000210206_100000746330 [1,1,0,0,0,0|1,0,0]=3 5526 B9R0.2 CC(C)SCCCCCO 62a_100000746330_100000210206 [1,1,0,0,0,0|1,0,0]=3 5527 B9R0.2 CC(C)SCCNCCO 2230a_100000731138_100000211926 [1,1,0,0,0,0|2,0,0]=4 5528 B9R0.2 CC(C)SCCNCCO 2230a_100016997473_100000730970 [1,1,0,0,0,0|2,0,0]=4 5529 B9R0.2 CC(C)SCCNCCO 34a_100000731138_100000211926 [1,1,0,0,0,0|2,0,0]=4 5530 B9R0.2 CC(C)SCCNCCO 34a_100016990907_100000730970 [1,1,0,0,0,0|2,0,0]=4 5531 B9R0.2 CC(C)SCCOCCO 34a_200011212901_100000211926 [1,1,0,0,0,0|2,0,0]=4 5532 B9R0.2 CC(C)SCCOCCO 62a_100000210206_100011215305 [1,1,0,0,0,0|2,0,0]=4 5533 B9R0.2 CC(C)SCCOCCO 62a_100011215305_100000210206 [1,1,0,0,0,0|2,0,0]=4 5534 B9R0.2 CC(C)SCCOCCO 7a_200011212901_100000211926 [1,1,0,0,0,0|2,0,0]=4 5535 B9R0.2 CC(C)SCCSCCO 62a_100000211926_100000730970 [1,1,0,0,0,0|2,0,0]=4 5536 B9R0.2 CC(C)SCCSCCO 62a_100000730970_100000211926 [1,1,0,0,0,0|2,0,0]=4 5537 B9R0.2 CC(F)COCCCCF 34a_100015925927_100000729493 [1,1,0,0,0,0|2,0,0]=4 5538 B9R0.2 CC(F)COCCCCO 34a_100015925927_100011216708 [1,1,0,0,0,0|1,0,0]=3 5539 B9R0.2 CC(O)CCCNCCF 34a_100000724931_200000718107 [1,1,0,0,0,0|2,0,0]=4 5540 B9R0.2 CC(O)CCCNCCO 2230a_100016997473_200000718107 [1,1,0,0,0,0|1,0,0]=3 5541 B9R0.2 CC(O)CCCNCCO 34a_100016990907_200000718107 [1,1,0,0,0,0|1,0,0]=3 5542 B9R0.2 CC(O)CCCOCCBr 34a_100000211926_200000718107 [1,1,0,0,0,0|2,0,0]=4 5543 B9R0.2 CC(O)CCCOCCN 34a_100000210304_200000718107 [1,1,0,0,0,0|2,0,0]=4 5544 B9R0.2 CC(O)CCCSCCF 62a_100011217306_200000718107 [1,1,0,0,0,0|2,0,0]=4 5545 B9R0.2 CC(O)CCCSCCF 62a_200000718107_100011217306 [1,1,0,0,0,0|2,0,0]=4 5546 B9R0.2 CC(O)CCCSCCO 62a_100000211926_200000718107 [1,1,0,0,0,0|1,0,0]=3 5547 B9R0.2 CC(O)CCCSCCO 62a_200000718107_100000211926 [1,1,0,0,0,0|1,0,0]=3 5548 B9R0.2 CC(O)CCNCCCF 2230a_100015189416_100012276601 [1,1,0,0,0,0|2,0,0]=4 5549 B9R0.2 CC(O)CCNCCCF 2230a_200000755665_100011934791 [1,1,0,0,0,0|2,0,0]=4 5550 B9R0.2 CC(O)CCNCCCF 34a_100015189416_100012276601 [1,1,0,0,0,0|2,0,0]=4 5551 B9R0.2 CC(O)CCNCCCO 2230a_200000755665_100000230001 [1,1,0,0,0,0|1,0,0]=3 5552 B9R0.2 CC(O)CCOCCCBr 34a_100011217188_100012276601 [1,1,0,0,0,0|2,0,0]=4 5553 B9R0.2 CC(O)CCOCCCCl 34a_100000230001_100012276601 [1,1,0,0,0,0|2,0,0]=4 5554 B9R0.2 CC(O)CCOCCCF 34a_100000759539_100012276601 [1,1,0,0,0,0|2,0,0]=4 5555 B9R0.2 CC(O)CCOCCCN 34a_100000182051_100012276601 [1,1,0,0,0,0|2,0,0]=4 5556 B9R0.2 CC(O)CCSCCCF 62a_100011934791_100012276601 [1,1,0,0,0,0|2,0,0]=4 5557 B9R0.2 CC(O)CCSCCCF 62a_100012276601_100011934791 [1,1,0,0,0,0|2,0,0]=4 5558 B9R0.2 CC(O)CCSCCCO 62a_100011215043_100012276601 [1,1,0,0,0,0|1,0,0]=3 5559 B9R0.2 CC(O)CCSCCCO 62a_100012276601_100011215043 [1,1,0,0,0,0|1,0,0]=3 5560 B9R0.2 CC(O)CNCCCCF 2230a_100000210904_100000729493 [1,1,0,0,0,0|2,0,0]=4 5561 B9R0.2 CC(O)CNCCCCF 34a_100000210904_100000729493 [1,1,0,0,0,0|2,0,0]=4 5562 B9R0.2 CC(O)CNCCCCO 2230a_100000210904_100000210776 [1,1,0,0,0,0|1,0,0]=3 5563 B9R0.2 CC(O)CNCCCCO 2230a_100000750430_100011218427 [1,1,0,0,0,0|1,0,0]=3 5564 B9R0.2 CC(O)CNCCCCO 34a_100000210904_100011216708 [1,1,0,0,0,0|1,0,0]=3 5565 B9R0.2 CC(O)CNCCCCO 34a_100000750430_100011218427 [1,1,0,0,0,0|1,0,0]=3 5566 B9R0.2 CC(O)COCCCCBr 34a_100011216708_100011218427 [1,1,0,0,0,0|2,0,0]=4 5567 B9R0.2 CC(O)COCCCCCl 34a_100000210776_100011218427 [1,1,0,0,0,0|2,0,0]=4 5568 B9R0.2 CC(O)COCCCCCl 7a_100000210776_100011218427 [1,1,0,0,0,0|2,0,0]=4 5569 B9R0.2 CC(O)COCCCCF 34a_100011995726_100011218427 [1,1,0,0,0,0|2,0,0]=4 5570 B9R0.2 CC(O)COCCCCF 7a_100011995726_100011218427 [1,1,0,0,0,0|2,0,0]=4 5571 B9R0.2 CC(O)COCCCCI 34a_200012148704_100011218427 [1,1,0,0,0,0|2,0,0]=4 5572 B9R0.2 CC(O)COCCCCN 34a_100000750430_100011218427 [1,1,0,0,0,0|2,0,0]=4 5573 B9R0.2 CC(O)CSCCCCF 62a_100000729493_100011218427 [1,1,0,0,0,0|2,0,0]=4 5574 B9R0.2 CC(O)CSCCCCF 62a_100011218427_100000729493 [1,1,0,0,0,0|2,0,0]=4 5575 B9R0.2 CC(O)CSCCCCO 62a_100000210776_100011218427 [1,1,0,0,0,0|1,0,0]=3 5576 B9R0.2 CC(O)CSCCCCO 62a_100011218427_100000210776 [1,1,0,0,0,0|1,0,0]=3 5577 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [1,1,0,0,0,0|0,0,2]=4 5578 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [1,1,0,0,0,0|0,0,2]=4 5579 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [1,1,0,0,0,0|0,0,2]=4 5580 B9R0.2 CCCCCCCN(C)C 2230a_100000228206_200000210301 [1,1,0,0,0,0|2,0,0]=4 5581 B9R0.2 CCCCCCCN(C)C 2230a_100102631434_100000210681 [1,1,0,0,0,0|2,0,0]=4 5582 B9R0.2 CCCCCCCN(C)C 269982a_100000228206_200000210301 [1,1,0,0,0,0|2,0,0]=4 5583 B9R0.2 CCCCCCCN(C)C 269982a_100102631434_100000210681 [1,1,0,0,0,0|2,0,0]=4 5584 B9R0.2 CCCCCCCN(C)[13CH3] 2230a_100000228206_200025704644 [1,1,0,0,0,0|2,0,0]=4 5585 B9R0.2 CCCCCCCN(C)[13CH3] 269982a_100000228206_200025704644 [1,1,0,0,0,0|2,0,0]=4 5586 B9R0.2 CCCCCCNC(C)C 2230a_100000210581_100000210206 [1,1,0,0,0,0|2,0,0]=4 5587 B9R0.2 CCCCCCNC(C)C 2230a_100138425928_100000210314 [1,1,0,0,0,0|2,0,0]=4 5588 B9R0.2 CCCCCCNC(C)C 34a_100138425928_100000210314 [1,1,0,0,0,0|2,0,0]=4 5589 B9R0.2 CCCCCCOC(C)C 34a_100000210259_100000210206 [1,1,0,0,0,0|2,0,0]=4 5590 B9R0.2 CCCCCCOC(C)C 34a_100000212225_100000210314 [1,1,0,0,0,0|2,0,0]=4 5591 B9R0.2 CCCCCCOC(C)C 7a_100000210259_100000210206 [1,1,0,0,0,0|2,0,0]=4 5592 B9R0.2 CCCCCCSC(C)C 62a_100000210206_100000210757 [1,1,0,0,0,0|2,0,0]=4 5593 B9R0.2 CCCCCCSC(C)C 62a_100000210314_100000210206 [1,1,0,0,0,0|2,0,0]=4 5594 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [1,1,0,0,0,0|1,0,1]=4 5595 B9R0.2 CCCCCNCC(C)C 2230a_100000209983_100000210760 [1,1,0,0,0,0|2,0,0]=4 5596 B9R0.2 CCCCCNCC(C)C 2230a_100000210953_100000210326 [1,1,0,0,0,0|2,0,0]=4 5597 B9R0.2 CCCCCNCC(C)C 270004a_100000209983_100000210432 [1,1,0,0,0,0|2,0,0]=4 5598 B9R0.2 CCCCCNCC(C)C 34a_100000210953_100000718602 [1,1,0,0,0,0|2,0,0]=4 5599 B9R0.2 CCCCCNCC(C)O 2230a_100000209983_100011218427 [1,1,0,0,0,0|1,0,0]=3 5600 B9R0.2 CCCCCNCC(C)O 2230a_100000210904_100000210326 [1,1,0,0,0,0|1,0,0]=3 5601 B9R0.2 CCCCCNCC(C)O 34a_100000210904_100000718602 [1,1,0,0,0,0|1,0,0]=3 5602 B9R0.2 CCCCCNCC(F)F 2230a_100000209983_100011934356 [1,1,0,0,0,0|2,0,0]=4 5603 B9R0.2 CCCCCNCC(F)F 34a_100000765723_100000718602 [1,1,0,0,0,0|2,0,0]=4 5604 B9R0.2 CCCCCNC[C@@H](C)O 2230a_100000209983_100009817552 [1,1,0,0,0,0|1,0,0]=3 5605 B9R0.2 CCCCCOCC(C)Br 34a_100012180447_100000718602 [1,1,0,0,0,0|2,0,0]=4 5606 B9R0.2 CCCCCOCC(C)C 34a_100000210253_100000210624 [1,1,0,0,0,0|2,0,0]=4 5607 B9R0.2 CCCCCOCC(C)C 34a_100000210257_100000718602 [1,1,0,0,0,0|2,0,0]=4 5608 B9R0.2 CCCCCOCC(C)C 7a_100000210253_100000210760 [1,1,0,0,0,0|2,0,0]=4 5609 B9R0.2 CCCCCOCC(C)F 34a_100015925927_100000718602 [1,1,0,0,0,0|2,0,0]=4 5610 B9R0.2 CCCCCOCC(C)O 34a_100000210253_100011218427 [1,1,0,0,0,0|1,0,0]=3 5611 B9R0.2 CCCCCOCC(C)O 7a_100000210253_100011218427 [1,1,0,0,0,0|1,0,0]=3 5612 B9R0.2 CCCCCOCC(F)F 34a_100000210253_100011934356 [1,1,0,0,0,0|2,0,0]=4 5613 B9R0.2 CCCCCOCC(F)F 34a_100000743014_100000718602 [1,1,0,0,0,0|2,0,0]=4 5614 B9R0.2 CCCCCOCC(F)F 7a_100000210253_100011934356 [1,1,0,0,0,0|2,0,0]=4 5615 B9R0.2 CCCCCOC[C@@H](C)Cl 34a_100016084084_100000718602 [1,1,0,0,0,0|2,0,0]=4 5616 B9R0.2 CCCCCOC[C@@H](C)N 34a_100000737577_100000718602 [1,1,0,0,0,0|2,0,0]=4 5617 B9R0.2 CCCCCOC[C@@H](C)O 34a_100000210253_100009817552 [1,1,0,0,0,0|1,0,0]=3 5618 B9R0.2 CCCCCOC[C@@H](C)O 7a_100000210253_100009817552 [1,1,0,0,0,0|1,0,0]=3 5619 B9R0.2 CCCCCSCC(C)C 62a_100000210326_100000210760 [1,1,0,0,0,0|2,0,0]=4 5620 B9R0.2 CCCCCSCC(C)C 62a_100000210624_100000210326 [1,1,0,0,0,0|2,0,0]=4 5621 B9R0.2 CCCCCSCC(C)O 62a_100000210326_100011218427 [1,1,0,0,0,0|1,0,0]=3 5622 B9R0.2 CCCCCSCC(C)O 62a_100011218427_100000210326 [1,1,0,0,0,0|1,0,0]=3 5623 B9R0.2 CCCCCSCC(F)F 62a_100000210326_100011934356 [1,1,0,0,0,0|2,0,0]=4 5624 B9R0.2 CCCCCSCC(F)F 62a_100011934356_100000210326 [1,1,0,0,0,0|2,0,0]=4 5625 B9R0.2 CCCCCSC[C@@H](C)O 62a_100000210326_100009817552 [1,1,0,0,0,0|1,0,0]=3 5626 B9R0.2 CCCCCSC[C@@H](C)O 62a_100009817552_100000210326 [1,1,0,0,0,0|1,0,0]=3 5627 B9R0.2 CCCCNCCC(C)C 2230a_100000102301_100000210312 [1,1,0,0,0,0|2,0,0]=4 5628 B9R0.2 CCCCNCCC(C)C 269862a_100000102301_100000185833 [1,1,0,0,0,0|2,0,0]=4 5629 B9R0.2 CCCCNCCC(C)C 7a_106832991798_100000210626 [1,1,0,0,0,0|2,0,0]=4 5630 B9R0.2 CCCCNCCC(C)O 2230a_100000102301_100012276601 [1,1,0,0,0,0|1,0,0]=3 5631 B9R0.2 CCCCNCCC(C)O 2230a_200000755665_100000210211 [1,1,0,0,0,0|1,0,0]=3 5632 B9R0.2 CCCCNCCC(C)O 7a_106832991798_100012276601 [1,1,0,0,0,0|1,0,0]=3 5633 B9R0.2 CCCCOCCC(C)Br 34a_100009893172_100000210210 [1,1,0,0,0,0|2,0,0]=4 5634 B9R0.2 CCCCOCCC(C)C 34a_100000210227_100000210312 [1,1,0,0,0,0|2,0,0]=4 5635 B9R0.2 CCCCOCCC(C)C 34a_100000210254_100000210210 [1,1,0,0,0,0|2,0,0]=4 5636 B9R0.2 CCCCOCCC(C)C 7a_100000210227_100000210626 [1,1,0,0,0,0|2,0,0]=4 5637 B9R0.2 CCCCOCCC(C)C 7a_100000210254_100000210211 [1,1,0,0,0,0|2,0,0]=4 5638 B9R0.2 CCCCOCCC(C)O 34a_100000210227_100012276601 [1,1,0,0,0,0|1,0,0]=3 5639 B9R0.2 CCCCOCCC(C)O 7a_100000210227_100012276601 [1,1,0,0,0,0|1,0,0]=3 5640 B9R0.2 CCCCOCCC(F)F 34a_100103093639_100000210210 [1,1,0,0,0,0|2,0,0]=4 5641 B9R0.2 CCCCOCC[C@@H](C)N 34a_100000706166_100000210210 [1,1,0,0,0,0|2,0,0]=4 5642 B9R0.2 CCCCSCCC(C)C 62a_100000210211_100000210312 [1,1,0,0,0,0|2,0,0]=4 5643 B9R0.2 CCCCSCCC(C)C 62a_100000210312_100000210210 [1,1,0,0,0,0|2,0,0]=4 5644 B9R0.2 CCCCSCCC(C)O 62a_100000210211_100012276601 [1,1,0,0,0,0|1,0,0]=3 5645 B9R0.2 CCCCSCCC(C)O 62a_100012276601_100000210210 [1,1,0,0,0,0|1,0,0]=3 5646 B9R0.2 CCCNCCCC(C)C 2230a_200000737386_100000210303 [1,1,0,0,0,0|2,0,0]=4 5647 B9R0.2 CCCNCCCC(C)C 34a_200000737386_100000210303 [1,1,0,0,0,0|2,0,0]=4 5648 B9R0.2 CCCOCCCC(C)C 34a_100000210258_100011214892 [1,1,0,0,0,0|2,0,0]=4 5649 B9R0.2 CCCOCCCC(C)C 34a_100000210774_100000210303 [1,1,0,0,0,0|2,0,0]=4 5650 B9R0.2 CCCOCCCC(C)C 7a_100000210774_100000210303 [1,1,0,0,0,0|2,0,0]=4 5651 B9R0.2 CCCOCCCC(C)O 34a_100000210258_200000718107 [1,1,0,0,0,0|1,0,0]=3 5652 B9R0.2 CCCSCCCC(C)C 62a_100000210303_100011214892 [1,1,0,0,0,0|2,0,0]=4 5653 B9R0.2 CCCSCCCC(C)C 62a_100011214892_100000210303 [1,1,0,0,0,0|2,0,0]=4 5654 B9R0.2 CCCSCCCC(C)O 62a_100000210303_200000718107 [1,1,0,0,0,0|1,0,0]=3 5655 B9R0.2 CCCSCCCC(C)O 62a_200000718107_100000210303 [1,1,0,0,0,0|1,0,0]=3 5656 B9R0.2 CCNCCCCB(O)O 2230a_100015525214_200009817182 [1,1,0,0,0,0|2,0,0]=4 5657 B9R0.2 CCNCCCCC(C)C 2230a_100015525214_100011216152 [1,1,0,0,0,0|2,0,0]=4 5658 B9R0.2 CCOCCCCB(O)O 34a_100121572206_200009817182 [1,1,0,0,0,0|2,0,0]=4 5659 B9R0.2 CCOCCCCC(C)C 34a_100011214890_100000210202 [1,1,0,0,0,0|2,0,0]=4 5660 B9R0.2 CCOCCCCC(C)C 34a_100121572206_100011216152 [1,1,0,0,0,0|2,0,0]=4 5661 B9R0.2 CCOCCCCC(C)C 7a_100011214890_100000210202 [1,1,0,0,0,0|2,0,0]=4 5662 B9R0.2 CCOCCNCC(C)O 2230a_100000210904_100011215890 [1,1,0,0,0,0|2,0,0]=4 5663 B9R0.2 CCOCCNCC(C)O 2230a_102516460346_100011218427 [1,1,0,0,0,0|2,0,0]=4 5664 B9R0.2 CCOCCNCC(C)O 34a_100000210904_100000210147 [1,1,0,0,0,0|2,0,0]=4 5665 B9R0.2 CCOCCNCC(C)O 34a_102516460346_100011218427 [1,1,0,0,0,0|2,0,0]=4 5666 B9R0.2 CCOCCNC[C@@H](C)O 2230a_102516460346_100009817552 [1,1,0,0,0,0|2,0,0]=4 5667 B9R0.2 CCOCCNC[C@@H](C)O 34a_102516460346_100009817552 [1,1,0,0,0,0|2,0,0]=4 5668 B9R0.2 CCOCCOCC(C)O 34a_100000210136_100011218427 [1,1,0,0,0,0|2,0,0]=4 5669 B9R0.2 CCOCCOCC(C)O 7a_100000210136_100011218427 [1,1,0,0,0,0|2,0,0]=4 5670 B9R0.2 CCOCCOC[C@@H](C)O 34a_100000210136_100009817552 [1,1,0,0,0,0|2,0,0]=4 5671 B9R0.2 CCOCCOC[C@@H](C)O 7a_100000210136_100009817552 [1,1,0,0,0,0|2,0,0]=4 5672 B9R0.2 CCOCCSCC(C)O 62a_100000210147_100011218427 [1,1,0,0,0,0|2,0,0]=4 5673 B9R0.2 CCOCCSCC(C)O 62a_100011218427_100011215890 [1,1,0,0,0,0|2,0,0]=4 5674 B9R0.2 CCOCCSC[C@@H](C)O 62a_100000210147_100009817552 [1,1,0,0,0,0|2,0,0]=4 5675 B9R0.2 CCOCCSC[C@@H](C)O 62a_100009817552_100011215890 [1,1,0,0,0,0|2,0,0]=4 5676 B9R0.2 CCOCSCCC(C)O 62a_100000739092_100012276601 [1,1,0,0,0,0|2,0,0]=4 5677 B9R0.2 CCOCSCCC(C)O 62a_100012276601_100000739092 [1,1,0,0,0,0|2,0,0]=4 5678 B9R0.2 CCSCCCCB(O)O 62a_100000210202_200009817182 [1,1,0,0,0,0|2,0,0]=4 5679 B9R0.2 CCSCCCCB(O)O 62a_200009817182_100000210202 [1,1,0,0,0,0|2,0,0]=4 5680 B9R0.2 CCSCCCCC(C)C 62a_100000210202_100011216152 [1,1,0,0,0,0|2,0,0]=4 5681 B9R0.2 CCSCCCCC(C)C 62a_100011216152_100000210202 [1,1,0,0,0,0|2,0,0]=4 5682 B9R0.2 CCSCCNCC(C)O 2230a_100000106463_100011218427 [1,1,0,0,0,0|2,0,0]=4 5683 B9R0.2 CCSCCNCC(C)O 2230a_100000210904_100000757381 [1,1,0,0,0,0|2,0,0]=4 5684 B9R0.2 CCSCCNCC(C)O 34a_100000210904_100000757381 [1,1,0,0,0,0|2,0,0]=4 5685 B9R0.2 CCSCCNC[C@@H](C)O 2230a_100000106463_100009817552 [1,1,0,0,0,0|2,0,0]=4 5686 B9R0.2 CCSCCOCC(C)O 34a_100000212035_100011218427 [1,1,0,0,0,0|2,0,0]=4 5687 B9R0.2 CCSCCOCC(C)O 7a_100000212035_100011218427 [1,1,0,0,0,0|2,0,0]=4 5688 B9R0.2 CCSCCOC[C@@H](C)O 34a_100000212035_100009817552 [1,1,0,0,0,0|2,0,0]=4 5689 B9R0.2 CCSCCOC[C@@H](C)O 7a_100000212035_100009817552 [1,1,0,0,0,0|2,0,0]=4 5690 B9R0.2 CCSCCSCC(C)O 62a_100000757381_100011218427 [1,1,0,0,0,0|2,0,0]=4 5691 B9R0.2 CCSCCSCC(C)O 62a_100011218427_100000757381 [1,1,0,0,0,0|2,0,0]=4 5692 B9R0.2 CCSCCSC[C@@H](C)O 62a_100000757381_100009817552 [1,1,0,0,0,0|2,0,0]=4 5693 B9R0.2 CCSCCSC[C@@H](C)O 62a_100009817552_100000757381 [1,1,0,0,0,0|2,0,0]=4 5694 B9R0.2 CN(C)CCCCCCF 2230a_100102631434_100015922095 [1,1,0,0,0,0|2,0,0]=4 5695 B9R0.2 CN(C)CCCCCCF 269982a_100102631434_100015922095 [1,1,0,0,0,0|2,0,0]=4 5696 B9R0.2 CN(C)CCCCCCO 2230a_100102631434_100000766143 [1,1,0,0,0,0|1,0,0]=3 5697 B9R0.2 CN(C)CCCCCCO 269982a_100102631434_100000766143 [1,1,0,0,0,0|1,0,0]=3 5698 B9R0.2 CN(C)CCCSCCO 62a_100000211926_100000757444 [1,1,0,0,0,0|2,0,0]=4 5699 B9R0.2 CN(C)CCSCCCO 62a_100011215043_100000755713 [1,1,0,0,0,0|2,0,0]=4 5700 B9R0.2 CNCCCCCB(O)O 2230a_106832991635_200009817188 [1,1,0,0,0,0|2,0,0]=4 5701 B9R0.2 CNCCCCCB(O)O 34a_100102657272_200009817188 [1,1,0,0,0,0|2,0,0]=4 5702 B9R0.2 CNCCCCCB(O)O 7a_106832991635_200009817188 [1,1,0,0,0,0|2,0,0]=4 5703 B9R0.2 CNCCCCCC(C)C 2230a_100011290863_200000210301 [1,1,0,0,0,0|2,0,0]=4 5704 B9R0.2 CNCCCCCC(C)C 2230a_106832991635_100000210682 [1,1,0,0,0,0|2,0,0]=4 5705 B9R0.2 CNCCCCCC(C)C 34a_100011290863_200000210301 [1,1,0,0,0,0|2,0,0]=4 5706 B9R0.2 CNCCCCCC(C)C 34a_100102657272_100000210682 [1,1,0,0,0,0|2,0,0]=4 5707 B9R0.2 CNCCCCCC(C)C 7a_106832991635_100000210682 [1,1,0,0,0,0|2,0,0]=4 5708 B9R0.2 CNCCCOCC(C)O 34a_100000213112_100011218427 [1,1,0,0,0,0|2,0,0]=4 5709 B9R0.2 CNCCCOC[C@@H](C)O 34a_100000213112_100009817552 [1,1,0,0,0,0|2,0,0]=4 5710 B9R0.2 COCCCCCB(O)O 34a_100138415774_200009817188 [1,1,0,0,0,0|2,0,0]=4 5711 B9R0.2 COCCCCCC(C)C 34a_100011995859_200000210301 [1,1,0,0,0,0|2,0,0]=4 5712 B9R0.2 COCCCCCC(C)C 34a_100138415774_100000210682 [1,1,0,0,0,0|2,0,0]=4 5713 B9R0.2 COCCCCCC(C)C 7a_100011995859_200000210301 [1,1,0,0,0,0|2,0,0]=4 5714 B9R0.2 COCCCNCC(C)O 2230a_100000210904_100000740836 [1,1,0,0,0,0|2,0,0]=4 5715 B9R0.2 COCCCNCC(C)O 34a_100000210904_100000740836 [1,1,0,0,0,0|2,0,0]=4 5716 B9R0.2 COCCCNCC(C)O 34a_100150723488_100011218427 [1,1,0,0,0,0|2,0,0]=4 5717 B9R0.2 COCCCNC[C@@H](C)O 34a_100150723488_100009817552 [1,1,0,0,0,0|2,0,0]=4 5718 B9R0.2 COCCCOCC(C)O 34a_100000740835_100011218427 [1,1,0,0,0,0|2,0,0]=4 5719 B9R0.2 COCCCOC[C@@H](C)O 34a_100000740835_100009817552 [1,1,0,0,0,0|2,0,0]=4 5720 B9R0.2 COCCCSCC(C)O 62a_100000709357_100011218427 [1,1,0,0,0,0|2,0,0]=4 5721 B9R0.2 COCCCSCC(C)O 62a_100011218427_100000709357 [1,1,0,0,0,0|2,0,0]=4 5722 B9R0.2 COCCCSC[C@@H](C)O 62a_100000709357_100009817552 [1,1,0,0,0,0|2,0,0]=4 5723 B9R0.2 COCCCSC[C@@H](C)O 62a_100009817552_100000709357 [1,1,0,0,0,0|2,0,0]=4 5724 B9R0.2 COCCNCCC(C)O 2230a_100000209980_100012276601 [1,1,0,0,0,0|2,0,0]=4 5725 B9R0.2 COCCNCCC(C)O 2230a_200000755665_100011201679 [1,1,0,0,0,0|2,0,0]=4 5726 B9R0.2 COCCOCCC(C)O 34a_100000210237_100012276601 [1,1,0,0,0,0|2,0,0]=4 5727 B9R0.2 COCCSCCC(C)O 62a_100000233755_100012276601 [1,1,0,0,0,0|2,0,0]=4 5728 B9R0.2 COCCSCCC(C)O 62a_100012276601_100000233755 [1,1,0,0,0,0|2,0,0]=4 5729 B9R0.2 COCSCCCC(C)O 62a_100000766300_200000718107 [1,1,0,0,0,0|2,0,0]=4 5730 B9R0.2 COCSCCCC(C)O 62a_200000718107_100000766300 [1,1,0,0,0,0|2,0,0]=4 5731 B9R0.2 CS(=O)CCCNCCO 2230a_200000753449_100000211926 [1,1,0,0,0,0|2,0,0]=4 5732 B9R0.2 CSCCCCCB(O)O 62a_200000210301_200009817188 [1,1,0,0,0,0|2,0,0]=4 5733 B9R0.2 CSCCCCCB(O)O 62a_200009817188_200000210301 [1,1,0,0,0,0|2,0,0]=4 5734 B9R0.2 CSCCCCCC(C)C 62a_100000210682_200000210301 [1,1,0,0,0,0|2,0,0]=4 5735 B9R0.2 CSCCCCCC(C)C 62a_200000210301_100000210682 [1,1,0,0,0,0|2,0,0]=4 5736 B9R0.2 CSCCCNCC(C)O 2230a_100000749238_100011218427 [1,1,0,0,0,0|2,0,0]=4 5737 B9R0.2 CSCCCNC[C@@H](C)O 2230a_100000749238_100009817552 [1,1,0,0,0,0|2,0,0]=4 5738 B9R0.2 CSCCCOCC(C)O 34a_100000690336_100011218427 [1,1,0,0,0,0|2,0,0]=4 5739 B9R0.2 CSCCCOCC(C)O 7a_100000690336_100011218427 [1,1,0,0,0,0|2,0,0]=4 5740 B9R0.2 CSCCCOC[C@@H](C)O 34a_100000690336_100009817552 [1,1,0,0,0,0|2,0,0]=4 5741 B9R0.2 CSCCCOC[C@@H](C)O 7a_100000690336_100009817552 [1,1,0,0,0,0|2,0,0]=4 5742 B9R0.2 CSCCNCCC(C)O 2230a_100020590264_100012276601 [1,1,0,0,0,0|2,0,0]=4 5743 B9R0.2 CSCCNCCC(C)O 2230a_200000755665_100000751147 [1,1,0,0,0,0|2,0,0]=4 5744 B9R0.2 CSCCOCCC(C)O 34a_100000230434_100012276601 [1,1,0,0,0,0|2,0,0]=4 5745 B9R0.2 CSCCOCCC(C)O 7a_100000230434_100012276601 [1,1,0,0,0,0|2,0,0]=4 5746 B9R0.2 CSCCSCCC(C)O 62a_100000212216_100012276601 [1,1,0,0,0,0|2,0,0]=4 5747 B9R0.2 CSCCSCCC(C)O 62a_100012276601_100000751147 [1,1,0,0,0,0|2,0,0]=4 5748 B9R0.2 CSCSCCCC(C)O 62a_100011218213_200000718107 [1,1,0,0,0,0|2,0,0]=4 5749 B9R0.2 CSCSCCCC(C)O 62a_200000718107_100011218213 [1,1,0,0,0,0|2,0,0]=4 5750 B9R0.2 C[C@@H](Cl)COCCCCF 34a_100016084084_100000729493 [1,1,0,0,0,0|2,0,0]=4 5751 B9R0.2 C[C@@H](Cl)COCCCCO 34a_100016084084_100011216708 [1,1,0,0,0,0|1,0,0]=3 5752 B9R0.2 C[C@@H](N)CCOCCCF 34a_100000706166_100011934791 [1,1,0,0,0,0|2,0,0]=4 5753 B9R0.2 C[C@@H](N)CCOCCCO 34a_100000706166_100000230001 [1,1,0,0,0,0|1,0,0]=3 5754 B9R0.2 C[C@@H](N)COCCCCF 34a_100000737577_100000729493 [1,1,0,0,0,0|2,0,0]=4 5755 B9R0.2 C[C@@H](N)COCCCCO 34a_100000737577_100011216708 [1,1,0,0,0,0|1,0,0]=3 5756 B9R0.2 C[C@@H](O)CNCCCCO 2230a_100000750430_100009817552 [1,1,0,0,0,0|1,0,0]=3 5757 B9R0.2 C[C@@H](O)CNCCCCO 34a_100000750430_100009817552 [1,1,0,0,0,0|1,0,0]=3 5758 B9R0.2 C[C@@H](O)COCCCCBr 34a_100011216708_100009817552 [1,1,0,0,0,0|2,0,0]=4 5759 B9R0.2 C[C@@H](O)COCCCCCl 34a_100000210776_100009817552 [1,1,0,0,0,0|2,0,0]=4 5760 B9R0.2 C[C@@H](O)COCCCCCl 7a_100000210776_100009817552 [1,1,0,0,0,0|2,0,0]=4 5761 B9R0.2 C[C@@H](O)COCCCCF 34a_100011995726_100009817552 [1,1,0,0,0,0|2,0,0]=4 5762 B9R0.2 C[C@@H](O)COCCCCF 7a_100011995726_100009817552 [1,1,0,0,0,0|2,0,0]=4 5763 B9R0.2 C[C@@H](O)COCCCCI 34a_200012148704_100009817552 [1,1,0,0,0,0|2,0,0]=4 5764 B9R0.2 C[C@@H](O)COCCCCN 34a_100000750430_100009817552 [1,1,0,0,0,0|2,0,0]=4 5765 B9R0.2 C[C@@H](O)CSCCCCF 62a_100000729493_100009817552 [1,1,0,0,0,0|2,0,0]=4 5766 B9R0.2 C[C@@H](O)CSCCCCF 62a_100009817552_100000729493 [1,1,0,0,0,0|2,0,0]=4 5767 B9R0.2 C[C@@H](O)CSCCCCO 62a_100000210776_100009817552 [1,1,0,0,0,0|1,0,0]=3 5768 B9R0.2 C[C@@H](O)CSCCCCO 62a_100009817552_100000210776 [1,1,0,0,0,0|1,0,0]=3 5769 B9R0.2 OCCCCNCC(F)F 2230a_100000750430_100011934356 [1,1,0,0,0,0|2,0,0]=4 5770 B9R0.2 OCCCCNCC(F)F 34a_100000750430_100011934356 [1,1,0,0,0,0|2,0,0]=4 5771 B9R0.2 OCCCCNCC(F)F 34a_100000765723_100011216708 [1,1,0,0,0,0|2,0,0]=4 5772 B9R0.2 OCCCCOCC(F)F 34a_100000743014_100011216708 [1,1,0,0,0,0|2,0,0]=4 5773 B9R0.2 OCCCCSCC(F)F 62a_100000210776_100011934356 [1,1,0,0,0,0|2,0,0]=4 5774 B9R0.2 OCCCCSCC(F)F 62a_100011934356_100000210776 [1,1,0,0,0,0|2,0,0]=4 5775 B9R0.2 OCCCOCCC(F)F 34a_100103093639_100000230001 [1,1,0,0,0,0|2,0,0]=4 5776 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [1,1,0,0,0,0|0,0,1]=3 5777 B9R0.2 [13CH3]SCCCCCB(O)O 62a_200009817188_200025704644 [1,1,0,0,0,0|2,0,0]=4 5778 B9R0.2 [13CH3]SCCCCCB(O)O 62a_200025704644_200009817188 [1,1,0,0,0,0|2,0,0]=4 5779 B9R0.5 CC(CCBr)OCCCO 34a_100012276601_100000230001 [1,1,0,0,0,0|2,0,0]=4 5780 B9R0.5 CC(CCN)COCCO 34a_106354213184_100000211926 [1,1,0,0,0,0|2,0,0]=4 5781 B9R0.5 CC(CCO)NCCCF 2230a_100015189416_100009893172 [1,1,0,0,0,0|2,0,0]=4 5782 B9R0.5 CC(CCO)NCCCF 34a_100015189416_100009893172 [1,1,0,0,0,0|2,0,0]=4 5783 B9R0.5 CC(CCO)OCCCBr 34a_100011217188_100009893172 [1,1,0,0,0,0|2,0,0]=4 5784 B9R0.5 CC(CCO)OCCCCl 34a_100000230001_100009893172 [1,1,0,0,0,0|2,0,0]=4 5785 B9R0.5 CC(CCO)OCCCF 34a_100000759539_100009893172 [1,1,0,0,0,0|2,0,0]=4 5786 B9R0.5 CC(CCO)OCCCN 34a_100000182051_100009893172 [1,1,0,0,0,0|2,0,0]=4 5787 B9R0.5 CC(CCO)SCCCF 62a_100009893172_100011934791 [1,1,0,0,0,0|2,0,0]=4 5788 B9R0.5 CC(CCO)SCCCF 62a_100011934791_100009893172 [1,1,0,0,0,0|2,0,0]=4 5789 B9R0.5 CC(CCO)SCCCO 62a_100009893172_100011215043 [1,1,0,0,0,0|2,0,0]=4 5790 B9R0.5 CC(CCO)SCCCO 62a_100011215043_100009893172 [1,1,0,0,0,0|2,0,0]=4 5791 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [1,1,0,0,0,0|1,0,1]=4 5792 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [1,1,0,0,0,0|0,0,1]=3 5793 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [1,1,0,0,0,0|0,0,1]=3 5794 B9R0.5 CCCC(=O)CNCCO 2230a_100016997473_100000747444 [1,1,0,0,0,0|1,0,1]=4 5795 B9R0.5 CCCC(=O)COCCO 1458a_100000708028_100000210303 [1,1,0,0,0,0|1,0,1]=4 5796 B9R0.5 CCCC(=O)CSCCO 62a_100000211926_100000747444 [1,1,0,0,0,0|1,0,1]=4 5797 B9R0.5 CCCC(=O)CSCCO 62a_100000747444_100000211926 [1,1,0,0,0,0|1,0,1]=4 5798 B9R0.5 CCCC(=O)NCCCO 240690a_100000182051_100000211992 [1,1,0,0,0,0|1,0,1]=4 5799 B9R0.5 CCCC(=O)NCCCO 527a_100000182051_100000211992 [1,1,0,0,0,0|1,0,1]=4 5800 B9R0.5 CCCC(C)CCCOC 34a_100011713154_200000210301 [1,1,0,0,0,0|2,0,0]=4 5801 B9R0.5 CCCC(C)CCCOC 7a_100011713154_200000210301 [1,1,0,0,0,0|2,0,0]=4 5802 B9R0.5 CCCC(C)CCCO[13CH3] 34a_100011713154_200025704644 [1,1,0,0,0,0|2,0,0]=4 5803 B9R0.5 CCCC(C)CCCO[13CH3] 7a_100011713154_200025704644 [1,1,0,0,0,0|2,0,0]=4 5804 B9R0.5 CCCC(C)CCOCC 34a_100011217855_100000210202 [1,1,0,0,0,0|2,0,0]=4 5805 B9R0.5 CCCC(C)CCOCC 7a_100011217855_100000210202 [1,1,0,0,0,0|2,0,0]=4 5806 B9R0.5 CCCC(C)CCOCF 34a_100011217855_100015361967 [1,1,0,0,0,0|2,0,0]=4 5807 B9R0.5 CCCC(C)CCOCF 7a_100011217855_100015361967 [1,1,0,0,0,0|2,0,0]=4 5808 B9R0.5 CCCC(C)CNCCF 34a_100000724931_100011216630 [1,1,0,0,0,0|2,0,0]=4 5809 B9R0.5 CCCC(C)CNCCO 2230a_100016997473_100011216630 [1,1,0,0,0,0|1,0,0]=3 5810 B9R0.5 CCCC(C)CNCCO 270004a_100000210304_100000243154 [1,1,0,0,0,0|1,0,0]=3 5811 B9R0.5 CCCC(C)CNCCO 34a_100016990907_100011216630 [1,1,0,0,0,0|1,0,0]=3 5812 B9R0.5 CCCC(C)COCCBr 34a_100000211926_100011216630 [1,1,0,0,0,0|2,0,0]=4 5813 B9R0.5 CCCC(C)COCCF 34a_100000688023_100011217306 [1,1,0,0,0,0|2,0,0]=4 5814 B9R0.5 CCCC(C)COCCF 7a_100000688023_100011217306 [1,1,0,0,0,0|2,0,0]=4 5815 B9R0.5 CCCC(C)COCCN 34a_100000210304_100011216630 [1,1,0,0,0,0|2,0,0]=4 5816 B9R0.5 CCCC(C)COCCO 34a_100000688023_100000211926 [1,1,0,0,0,0|1,0,0]=3 5817 B9R0.5 CCCC(C)COCCO 7a_100000688023_100000211926 [1,1,0,0,0,0|1,0,0]=3 5818 B9R0.5 CCCC(C)CSCCF 62a_100011216630_100011217306 [1,1,0,0,0,0|2,0,0]=4 5819 B9R0.5 CCCC(C)CSCCF 62a_100011217306_100011216630 [1,1,0,0,0,0|2,0,0]=4 5820 B9R0.5 CCCC(C)CSCCO 62a_100000211926_100011216630 [1,1,0,0,0,0|1,0,0]=3 5821 B9R0.5 CCCC(C)CSCCO 62a_100011216630_100000211926 [1,1,0,0,0,0|1,0,0]=3 5822 B9R0.5 CCCC(C)NCCCF 2230a_100000741246_100011934791 [1,1,0,0,0,0|2,0,0]=4 5823 B9R0.5 CCCC(C)NCCCF 2230a_100015189416_100000766640 [1,1,0,0,0,0|2,0,0]=4 5824 B9R0.5 CCCC(C)NCCCF 270004a_100015189416_100000211909 [1,1,0,0,0,0|2,0,0]=4 5825 B9R0.5 CCCC(C)NCCCF 34a_100015189416_100000766640 [1,1,0,0,0,0|2,0,0]=4 5826 B9R0.5 CCCC(C)NCCCO 2230a_100000741246_100000230001 [1,1,0,0,0,0|1,0,0]=3 5827 B9R0.5 CCCC(C)NCCCO 270004a_100000182051_100000211909 [1,1,0,0,0,0|1,0,0]=3 5828 B9R0.5 CCCC(C)OCCCBr 34a_100011217188_100000766640 [1,1,0,0,0,0|2,0,0]=4 5829 B9R0.5 CCCC(C)OCCCCl 34a_100000230001_100000766640 [1,1,0,0,0,0|2,0,0]=4 5830 B9R0.5 CCCC(C)OCCCF 34a_100000759539_100000766640 [1,1,0,0,0,0|2,0,0]=4 5831 B9R0.5 CCCC(C)OCCCF 34a_100000764384_100011934791 [1,1,0,0,0,0|2,0,0]=4 5832 B9R0.5 CCCC(C)OCCCF 7a_100000764384_100011934791 [1,1,0,0,0,0|2,0,0]=4 5833 B9R0.5 CCCC(C)OCCCN 34a_100000182051_100000766640 [1,1,0,0,0,0|2,0,0]=4 5834 B9R0.5 CCCC(C)OCCCO 34a_100000764384_100000230001 [1,1,0,0,0,0|1,0,0]=3 5835 B9R0.5 CCCC(C)OCCCO 7a_100000764384_100011215043 [1,1,0,0,0,0|1,0,0]=3 5836 B9R0.5 CCCC(C)SCCCF 62a_100000766640_100011934791 [1,1,0,0,0,0|2,0,0]=4 5837 B9R0.5 CCCC(C)SCCCF 62a_100011934791_100000766640 [1,1,0,0,0,0|2,0,0]=4 5838 B9R0.5 CCCC(C)SCCCO 62a_100000766640_100011215043 [1,1,0,0,0,0|1,0,0]=3 5839 B9R0.5 CCCC(C)SCCCO 62a_100011215043_100000766640 [1,1,0,0,0,0|1,0,0]=3 5840 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [1,1,0,0,0,0|1,0,1]=4 5841 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [1,1,0,0,0,0|1,0,1]=4 5842 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [1,1,0,0,0,0|1,0,1]=4 5843 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [1,1,0,0,0,0|0,0,1]=3 5844 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [1,1,0,0,0,0|0,0,1]=3 5845 B9R0.5 CCCCCC(C)NCC 2230a_100000211957_100000210202 [1,1,0,0,0,0|2,0,0]=4 5846 B9R0.5 CCCCCC(C)NCC 2230a_100015525214_200011218191 [1,1,0,0,0,0|2,0,0]=4 5847 B9R0.5 CCCCCC(C)NCC 270004a_100015525214_100000211708 [1,1,0,0,0,0|2,0,0]=4 5848 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [1,1,0,0,0,0|2,0,0]=4 5849 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [1,1,0,0,0,0|2,0,0]=4 5850 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [1,1,0,0,0,0|2,0,0]=4 5851 B9R0.5 CCCCCC(C)OCF 34a_100011215632_100015361967 [1,1,0,0,0,0|2,0,0]=4 5852 B9R0.5 CCCCCC(C)OCF 7a_100011215632_100015361967 [1,1,0,0,0,0|2,0,0]=4 5853 B9R0.5 CCCCCC(C)SCC 62a_100000210202_200011218191 [1,1,0,0,0,0|2,0,0]=4 5854 B9R0.5 CCCCCC(C)SCC 62a_200011218191_100000210202 [1,1,0,0,0,0|2,0,0]=4 5855 B9R0.5 CCCCCC(C)SCF 62a_100015361967_200011218191 [1,1,0,0,0,0|2,0,0]=4 5856 B9R0.5 CCCCCC(C)SCF 62a_200011218191_100015361967 [1,1,0,0,0,0|2,0,0]=4 5857 B9R0.5 CCCCCN(C)CCC 2230a_100000223495_100000210303 [1,1,0,0,0,0|2,0,0]=4 5858 B9R0.5 CCCCCN(C)CCC 2230a_100000747261_100000210326 [1,1,0,0,0,0|2,0,0]=4 5859 B9R0.5 CCCCCN(C)CCC 2230a_200000226819_200000210301 [1,1,0,0,0,0|2,0,0]=4 5860 B9R0.5 CCCCCN(C)CCC 269982a_100000223495_100000210303 [1,1,0,0,0,0|2,0,0]=4 5861 B9R0.5 CCCCCN(C)CCC 269982a_100000747261_100000210215 [1,1,0,0,0,0|2,0,0]=4 5862 B9R0.5 CCCCCN(C)CCC 269982a_200000226819_200000210301 [1,1,0,0,0,0|2,0,0]=4 5863 B9R0.5 CCCCCN(C)CCF 2230a_100000223495_100011217306 [1,1,0,0,0,0|2,0,0]=4 5864 B9R0.5 CCCCCN(C)CCF 269982a_100000223495_100011217306 [1,1,0,0,0,0|2,0,0]=4 5865 B9R0.5 CCCCCN(C)CCO 2230a_100000210263_100000210326 [1,1,0,0,0,0|1,0,0]=3 5866 B9R0.5 CCCCCN(C)CCO 2230a_100000223495_100000211926 [1,1,0,0,0,0|1,0,0]=3 5867 B9R0.5 CCCCCN(C)CCO 2230a_100000224656_200000210301 [1,1,0,0,0,0|1,0,0]=3 5868 B9R0.5 CCCCCN(C)CCO 269982a_100000210263_100000210215 [1,1,0,0,0,0|1,0,0]=3 5869 B9R0.5 CCCCCN(C)CCO 269982a_100000223495_100000211926 [1,1,0,0,0,0|1,0,0]=3 5870 B9R0.5 CCCCCN(C)CCO 269982a_100000224656_200000210301 [1,1,0,0,0,0|1,0,0]=3 5871 B9R0.5 CCCCCN([13CH3])CCC 2230a_200000226819_200025704644 [1,1,0,0,0,0|2,0,0]=4 5872 B9R0.5 CCCCCN([13CH3])CCC 269982a_200000226819_200025704644 [1,1,0,0,0,0|2,0,0]=4 5873 B9R0.5 CCCCCN([13CH3])CCO 2230a_100000224656_200025704644 [1,1,0,0,0,0|1,0,0]=3 5874 B9R0.5 CCCCCN([13CH3])CCO 269982a_100000224656_200025704644 [1,1,0,0,0,0|1,0,0]=3 5875 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [1,1,0,0,0,0|1,0,1]=4 5876 B9R0.5 CCCCNC(C)CCC 2230a_100000102301_100000766640 [1,1,0,0,0,0|2,0,0]=4 5877 B9R0.5 CCCCNC(C)CCC 2230a_100000741246_100000210211 [1,1,0,0,0,0|2,0,0]=4 5878 B9R0.5 CCCCNC(C)CCC 270004a_100000102301_100000211909 [1,1,0,0,0,0|2,0,0]=4 5879 B9R0.5 CCCCNC(C)CCC 7a_106832991798_100000766640 [1,1,0,0,0,0|2,0,0]=4 5880 B9R0.5 CCCCNC(C)CCO 2230a_100000102301_100009893172 [1,1,0,0,0,0|1,0,0]=3 5881 B9R0.5 CCCCNC(C)CCO 7a_106832991798_100009893172 [1,1,0,0,0,0|1,0,0]=3 5882 B9R0.5 CCCCN[C@H](C)CCO 2230a_100000706166_100000210211 [1,1,0,0,0,0|1,0,0]=3 5883 B9R0.5 CCCCN[C@H](C)CCO 34a_100000706166_100000210210 [1,1,0,0,0,0|1,0,0]=3 5884 B9R0.5 CCCCOC(C)CCBr 34a_100012276601_100000210210 [1,1,0,0,0,0|2,0,0]=4 5885 B9R0.5 CCCCOC(C)CCC 34a_100000210227_100000766640 [1,1,0,0,0,0|2,0,0]=4 5886 B9R0.5 CCCCOC(C)CCC 34a_100000764384_100000210210 [1,1,0,0,0,0|2,0,0]=4 5887 B9R0.5 CCCCOC(C)CCC 7a_100000210227_100000766640 [1,1,0,0,0,0|2,0,0]=4 5888 B9R0.5 CCCCOC(C)CCC 7a_100000764384_100000210211 [1,1,0,0,0,0|2,0,0]=4 5889 B9R0.5 CCCCOC(C)CCO 34a_100000210227_100009893172 [1,1,0,0,0,0|1,0,0]=3 5890 B9R0.5 CCCCOC(C)CCO 7a_100000210227_100009893172 [1,1,0,0,0,0|1,0,0]=3 5891 B9R0.5 CCCCSC(C)CCC 62a_100000210211_100000766640 [1,1,0,0,0,0|2,0,0]=4 5892 B9R0.5 CCCCSC(C)CCC 62a_100000766640_100000210210 [1,1,0,0,0,0|2,0,0]=4 5893 B9R0.5 CCCCSC(C)CCO 62a_100000210211_100009893172 [1,1,0,0,0,0|1,0,0]=3 5894 B9R0.5 CCCCSC(C)CCO 62a_100009893172_100000210210 [1,1,0,0,0,0|1,0,0]=3 5895 B9R0.5 CCCN(C)CCCCF 2230a_100000747261_100000729493 [1,1,0,0,0,0|2,0,0]=4 5896 B9R0.5 CCCN(C)CCCCF 269982a_100000747261_100000729493 [1,1,0,0,0,0|2,0,0]=4 5897 B9R0.5 CCCN(C)CCCCO 2230a_100000717598_100000210303 [1,1,0,0,0,0|1,0,0]=3 5898 B9R0.5 CCCN(C)CCCCO 2230a_100000747261_100000210776 [1,1,0,0,0,0|1,0,0]=3 5899 B9R0.5 CCCN(C)CCCCO 269982a_100000717598_100000210303 [1,1,0,0,0,0|1,0,0]=3 5900 B9R0.5 CCCN(C)CCCCO 269982a_100000747261_100000210776 [1,1,0,0,0,0|1,0,0]=3 5901 B9R0.5 CCCNCC(C)CCC 270004a_100020643023_100000243154 [1,1,0,0,0,0|2,0,0]=4 5902 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [1,1,0,0,0,0|1,0,1]=4 5903 B9R0.5 CCCOCC(C)CCC 34a_100000210258_100011216630 [1,1,0,0,0,0|2,0,0]=4 5904 B9R0.5 CCCOCC(C)CCC 34a_100000688023_100000210303 [1,1,0,0,0,0|2,0,0]=4 5905 B9R0.5 CCCOCC(C)CCC 7a_100000688023_100000210303 [1,1,0,0,0,0|2,0,0]=4 5906 B9R0.5 CCCOCC(C)CCN 34a_106354213184_100000210303 [1,1,0,0,0,0|2,0,0]=4 5907 B9R0.5 CCCOC[C@@H](N)CCC 34a_100000732646_100000210303 [1,1,0,0,0,0|2,0,0]=4 5908 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [1,1,0,0,0,0|1,0,1]=4 5909 B9R0.5 CCCSCC(C)CCC 62a_100000210303_100011216630 [1,1,0,0,0,0|2,0,0]=4 5910 B9R0.5 CCCSCC(C)CCC 62a_100011216630_100000210303 [1,1,0,0,0,0|2,0,0]=4 5911 B9R0.5 CCC[C@H](N)CCOCC 34a_100015193777_100000210202 [1,1,0,0,0,0|2,0,0]=4 5912 B9R0.5 CCC[C@H](N)CCOCF 34a_100015193777_100015361967 [1,1,0,0,0,0|2,0,0]=4 5913 B9R0.5 CCC[C@H](N)COCCF 34a_100000732646_100011217306 [1,1,0,0,0,0|2,0,0]=4 5914 B9R0.5 CCC[C@H](N)COCCO 34a_100000732646_100000211926 [1,1,0,0,0,0|1,0,0]=3 5915 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [1,1,0,0,0,0|1,0,1]=4 5916 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [1,1,0,0,0,0|1,0,1]=4 5917 B9R0.5 CCOCCN(C)CCO 2230a_100000210263_100011215890 [1,1,0,0,0,0|2,0,0]=4 5918 B9R0.5 CCOCCN(C)CCO 269982a_100000210263_100011215890 [1,1,0,0,0,0|2,0,0]=4 5919 B9R0.5 CCOCSC(C)CCO 62a_100000739092_100009893172 [1,1,0,0,0,0|2,0,0]=4 5920 B9R0.5 CCOCSC(C)CCO 62a_100009893172_100000739092 [1,1,0,0,0,0|2,0,0]=4 5921 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [1,1,0,0,0,0|1,0,1]=4 5922 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [1,1,0,0,0,0|1,0,1]=4 5923 B9R0.5 CCSCCN(C)CCO 2230a_100000210263_100000757381 [1,1,0,0,0,0|2,0,0]=4 5924 B9R0.5 CCSCCN(C)CCO 269982a_100000210263_100000757381 [1,1,0,0,0,0|2,0,0]=4 5925 B9R0.5 CN(CCF)CCCCO 2230a_100000717598_100011217306 [1,1,0,0,0,0|2,0,0]=4 5926 B9R0.5 CN(CCF)CCCCO 269982a_100000717598_100011217306 [1,1,0,0,0,0|2,0,0]=4 5927 B9R0.5 CN(CCO)CCCCF 2230a_100000210263_100000729493 [1,1,0,0,0,0|2,0,0]=4 5928 B9R0.5 CN(CCO)CCCCF 269982a_100000210263_100000729493 [1,1,0,0,0,0|2,0,0]=4 5929 B9R0.5 CN(CCO)CCCCO 2230a_100000210263_100000210776 [1,1,0,0,0,0|2,0,0]=4 5930 B9R0.5 CN(CCO)CCCCO 2230a_100000717598_100000211926 [1,1,0,0,0,0|2,0,0]=4 5931 B9R0.5 CN(CCO)CCCCO 269982a_100000210263_100000210776 [1,1,0,0,0,0|2,0,0]=4 5932 B9R0.5 CN(CCO)CCCCO 269982a_100000717598_100000211926 [1,1,0,0,0,0|2,0,0]=4 5933 B9R0.5 COCC(=O)CCCCO 1458a_100000210968_100000210776 [1,1,0,0,0,0|1,0,1]=4 5934 B9R0.5 COCC(C)NCCCO 270004a_100000182051_100000749346 [1,1,0,0,0,0|2,0,0]=4 5935 B9R0.5 COCC(C)SCCCO 62a_100000765312_100011215043 [1,1,0,0,0,0|2,0,0]=4 5936 B9R0.5 COCC(C)SCCCO 62a_100011215043_100000765312 [1,1,0,0,0,0|2,0,0]=4 5937 B9R0.5 COCC(N)COCCO 34a_100000724102_100000211926 [1,1,0,0,0,0|2,0,0]=4 5938 B9R0.5 COCC(O)CNCCO 2230a_100000756049_100000211926 [1,1,0,0,0,0|2,0,0]=4 5939 B9R0.5 COCC(O)CNCCO 34a_100000756049_100000211926 [1,1,0,0,0,0|2,0,0]=4 5940 B9R0.5 COCC(O)CNCCO 34a_100016990907_100011215053 [1,1,0,0,0,0|2,0,0]=4 5941 B9R0.5 COCC(O)CSCCO 62a_100000211926_100011215053 [1,1,0,0,0,0|2,0,0]=4 5942 B9R0.5 COCC(O)CSCCO 62a_100011215053_100000211926 [1,1,0,0,0,0|2,0,0]=4 5943 B9R0.5 COCCCC(=O)CCO 1458a_100000741012_100000211926 [1,1,0,0,0,0|1,0,1]=4 5944 B9R0.5 COCCCC(=O)CCO 1458a_100011216618_100000740836 [1,1,0,0,0,0|1,0,1]=4 5945 B9R0.5 COCCCN(C)CCO 2230a_100000210263_100000740836 [1,1,0,0,0,0|2,0,0]=4 5946 B9R0.5 COCCCN(C)CCO 2230a_100000224831_100000211926 [1,1,0,0,0,0|2,0,0]=4 5947 B9R0.5 COCCCN(C)CCO 269982a_100000210263_100000740836 [1,1,0,0,0,0|2,0,0]=4 5948 B9R0.5 COCCCN(C)CCO 269982a_100000224831_100000211926 [1,1,0,0,0,0|2,0,0]=4 5949 B9R0.5 COCCNC(C)CCO 2230a_100000209980_100009893172 [1,1,0,0,0,0|2,0,0]=4 5950 B9R0.5 COCCN[C@H](C)CCO 2230a_100000706166_100011201679 [1,1,0,0,0,0|2,0,0]=4 5951 B9R0.5 COCCN[C@H](C)CCO 34a_100000706166_100011201679 [1,1,0,0,0,0|2,0,0]=4 5952 B9R0.5 COCCOC(C)CCO 34a_100000210237_100009893172 [1,1,0,0,0,0|2,0,0]=4 5953 B9R0.5 COCCSC(C)CCO 62a_100000233755_100009893172 [1,1,0,0,0,0|2,0,0]=4 5954 B9R0.5 COCCSC(C)CCO 62a_100009893172_100000233755 [1,1,0,0,0,0|2,0,0]=4 5955 B9R0.5 COCN(C)CCCCO 2230a_100000717598_100000766300 [1,1,0,0,0,0|2,0,0]=4 5956 B9R0.5 COCN(C)CCCCO 269982a_100000717598_100000766300 [1,1,0,0,0,0|2,0,0]=4 5957 B9R0.5 COC[C@@H](C)NCCCO 2230a_100000764878_100000230001 [1,1,0,0,0,0|2,0,0]=4 5958 B9R0.5 COC[C@@H](C)OCCCO 34a_100011934205_100000230001 [1,1,0,0,0,0|2,0,0]=4 5959 B9R0.5 COC[C@@H](N)CCCCN 34a_100016993712_200000210301 [1,1,0,0,0,0|2,0,0]=4 5960 B9R0.5 CSCC(=O)CCCCO 1458a_100000184570_100000210776 [1,1,0,0,0,0|1,0,1]=4 5961 B9R0.5 CSCC(C)NCCCO 270004a_100000182051_100011216314 [1,1,0,0,0,0|2,0,0]=4 5962 B9R0.5 CSCCCC(=O)CCO 1458a_100000173376_100000211926 [1,1,0,0,0,0|1,0,1]=4 5963 B9R0.5 CSCCNC(C)CCO 2230a_100020590264_100009893172 [1,1,0,0,0,0|2,0,0]=4 5964 B9R0.5 CSCCN[C@H](C)CCO 2230a_100000706166_100000751147 [1,1,0,0,0,0|2,0,0]=4 5965 B9R0.5 CSCCN[C@H](C)CCO 34a_100000706166_100000212216 [1,1,0,0,0,0|2,0,0]=4 5966 B9R0.5 CSCCOC(C)CCO 34a_100000230434_100009893172 [1,1,0,0,0,0|2,0,0]=4 5967 B9R0.5 CSCCOC(C)CCO 7a_100000230434_100009893172 [1,1,0,0,0,0|2,0,0]=4 5968 B9R0.5 CSCCSC(C)CCO 62a_100000212216_100009893172 [1,1,0,0,0,0|2,0,0]=4 5969 B9R0.5 CSCCSC(C)CCO 62a_100009893172_100000751147 [1,1,0,0,0,0|2,0,0]=4 5970 B9R0.5 CSCN(C)CCCCO 2230a_100000717598_100011218213 [1,1,0,0,0,0|2,0,0]=4 5971 B9R0.5 CSCN(C)CCCCO 269982a_100000717598_100011218213 [1,1,0,0,0,0|2,0,0]=4 5972 B9R0.5 C[C@H](CCO)NCCCF 2230a_100000706166_100011934791 [1,1,0,0,0,0|2,0,0]=4 5973 B9R0.5 C[C@H](CCO)NCCCF 34a_100000706166_100011934791 [1,1,0,0,0,0|2,0,0]=4 5974 B9R0.5 C[C@H](CCO)NCCCO 2230a_100000706166_100000230001 [1,1,0,0,0,0|2,0,0]=4 5975 B9R0.5 C[C@H](CCO)NCCCO 34a_100000706166_100000230001 [1,1,0,0,0,0|2,0,0]=4 5976 B9R0.5 O=C(CCF)CCCCO 1458a_100000695505_100011217306 [1,1,0,0,0,0|1,0,1]=4 5977 B9R0.5 O=C(CCO)CCCCF 1458a_100011216618_100000729493 [1,1,0,0,0,0|1,0,1]=4 5978 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [1,1,0,0,0,0|1,0,1]=4 5979 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [1,1,0,0,0,0|1,0,1]=4 5980 B9R0.5 [13CH3]OC[C@@H](N)CCCCN 34a_100016993712_200025704644 [1,1,0,0,0,0|2,0,0]=4 5981 B9R0.18 CC(CCCCl)OCCO 34a_200000718107_100000211926 [1,1,0,0,0,0|2,0,0]=4 5982 B9R0.18 CC(CCCCl)OCCO 7a_200000718107_100000211926 [1,1,0,0,0,0|2,0,0]=4 5983 B9R0.18 CCCCC(=O)CCCC 1458a_100000210183_100000210211 [1,1,0,0,0,0|1,0,1]=4 5984 B9R0.18 CCCCC(=O)CCCF 1458a_100000210183_100011934791 [1,1,0,0,0,0|1,0,1]=4 5985 B9R0.18 CCCCC(=O)CCCO 1458a_100000210183_100011215043 [1,1,0,0,0,0|0,0,1]=3 5986 B9R0.18 CCCCC(=O)NCCO 240690a_100000210304_100000210183 [1,1,0,0,0,0|1,0,1]=4 5987 B9R0.18 CCCCC(=O)NCCO 527a_100000210304_100000210183 [1,1,0,0,0,0|1,0,1]=4 5988 B9R0.18 CCCCC(C)COCC 34a_100011995851_100000210202 [1,1,0,0,0,0|2,0,0]=4 5989 B9R0.18 CCCCC(C)COCC 7a_100011995851_100000210202 [1,1,0,0,0,0|2,0,0]=4 5990 B9R0.18 CCCCC(C)COCF 34a_100011995851_100015361967 [1,1,0,0,0,0|2,0,0]=4 5991 B9R0.18 CCCCC(C)COCF 7a_100011995851_100015361967 [1,1,0,0,0,0|2,0,0]=4 5992 B9R0.18 CCCCC(C)NCCC 2230a_100000126638_100000210303 [1,1,0,0,0,0|2,0,0]=4 5993 B9R0.18 CCCCC(C)NCCC 270004a_100020643023_100000210087 [1,1,0,0,0,0|2,0,0]=4 5994 B9R0.18 CCCCC(C)NCCF 2230a_100000126638_100011217306 [1,1,0,0,0,0|2,0,0]=4 5995 B9R0.18 CCCCC(C)NCCF 34a_100000724931_200011215066 [1,1,0,0,0,0|2,0,0]=4 5996 B9R0.18 CCCCC(C)NCCO 2230a_100000126638_100000211926 [1,1,0,0,0,0|1,0,0]=3 5997 B9R0.18 CCCCC(C)NCCO 2230a_100016997473_200011215066 [1,1,0,0,0,0|1,0,0]=3 5998 B9R0.18 CCCCC(C)NCCO 270004a_100000210304_100000210087 [1,1,0,0,0,0|1,0,0]=3 5999 B9R0.18 CCCCC(C)NCCO 34a_100016990907_200011215066 [1,1,0,0,0,0|1,0,0]=3 6000 B9R0.18 CCCCC(C)OCCBr 34a_100000211926_200011215066 [1,1,0,0,0,0|2,0,0]=4 6001 B9R0.18 CCCCC(C)OCCC 34a_100000210258_200011215066 [1,1,0,0,0,0|2,0,0]=4 6002 B9R0.18 CCCCC(C)OCCC 34a_100000687866_100000210303 [1,1,0,0,0,0|2,0,0]=4 6003 B9R0.18 CCCCC(C)OCCC 7a_100000687866_100000210303 [1,1,0,0,0,0|2,0,0]=4 6004 B9R0.18 CCCCC(C)OCCF 34a_100000687866_100011217306 [1,1,0,0,0,0|2,0,0]=4 6005 B9R0.18 CCCCC(C)OCCF 7a_100000687866_100011217306 [1,1,0,0,0,0|2,0,0]=4 6006 B9R0.18 CCCCC(C)OCCN 34a_100000210304_200011215066 [1,1,0,0,0,0|2,0,0]=4 6007 B9R0.18 CCCCC(C)OCCO 34a_100000687866_100000211926 [1,1,0,0,0,0|1,0,0]=3 6008 B9R0.18 CCCCC(C)OCCO 7a_100000687866_100000211926 [1,1,0,0,0,0|1,0,0]=3 6009 B9R0.18 CCCCC(C)SCCC 62a_100000210303_200011215066 [1,1,0,0,0,0|2,0,0]=4 6010 B9R0.18 CCCCC(C)SCCC 62a_200011215066_100000210303 [1,1,0,0,0,0|2,0,0]=4 6011 B9R0.18 CCCCC(C)SCCF 62a_100011217306_200011215066 [1,1,0,0,0,0|2,0,0]=4 6012 B9R0.18 CCCCC(C)SCCF 62a_200011215066_100011217306 [1,1,0,0,0,0|2,0,0]=4 6013 B9R0.18 CCCCC(C)SCCO 62a_100000211926_200011215066 [1,1,0,0,0,0|1,0,0]=3 6014 B9R0.18 CCCCC(C)SCCO 62a_200011215066_100000211926 [1,1,0,0,0,0|1,0,0]=3 6015 B9R0.18 CCCCN(C)CCCC 2230a_100000207549_100000210211 [1,1,0,0,0,0|2,0,0]=4 6016 B9R0.18 CCCCN(C)CCCC 2230a_100000684618_200000210301 [1,1,0,0,0,0|2,0,0]=4 6017 B9R0.18 CCCCN(C)CCCC 269982a_100000207549_100000210211 [1,1,0,0,0,0|2,0,0]=4 6018 B9R0.18 CCCCN(C)CCCC 269982a_100000684618_200000210301 [1,1,0,0,0,0|2,0,0]=4 6019 B9R0.18 CCCCN(C)CCCF 2230a_100000207549_100011934791 [1,1,0,0,0,0|2,0,0]=4 6020 B9R0.18 CCCCN(C)CCCF 269982a_100000207549_100011934791 [1,1,0,0,0,0|2,0,0]=4 6021 B9R0.18 CCCCN(C)CCCO 2230a_100000207549_100000230001 [1,1,0,0,0,0|1,0,0]=3 6022 B9R0.18 CCCCN(C)CCCO 2230a_100000213112_100000210211 [1,1,0,0,0,0|1,0,0]=3 6023 B9R0.18 CCCCN(C)CCCO 269982a_100000207549_100011215043 [1,1,0,0,0,0|1,0,0]=3 6024 B9R0.18 CCCCN(C)CCCO 269982a_100000213112_100000210211 [1,1,0,0,0,0|1,0,0]=3 6025 B9R0.18 CCCCN([13CH3])CCCC 2230a_100000684618_200025704644 [1,1,0,0,0,0|2,0,0]=4 6026 B9R0.18 CCCCN([13CH3])CCCC 269982a_100000684618_200025704644 [1,1,0,0,0,0|2,0,0]=4 6027 B9R0.18 CCCC[C@H](N)COCC 34a_100011934283_100000210202 [1,1,0,0,0,0|2,0,0]=4 6028 B9R0.18 CCCC[C@H](N)COCF 34a_100011934283_100015361967 [1,1,0,0,0,0|2,0,0]=4 6029 B9R0.18 CCCOC(C)CCCCl 34a_200000718107_100000210303 [1,1,0,0,0,0|2,0,0]=4 6030 B9R0.18 CCCOC(C)CCCCl 7a_200000718107_100000210303 [1,1,0,0,0,0|2,0,0]=4 6031 B9R0.18 CCNC[C@H](C)CCCO 2230a_100160569302_100000210202 [1,1,0,0,0,0|1,0,0]=3 6032 B9R0.18 CCNC[C@H](C)CCCO 34a_100160569302_100000210202 [1,1,0,0,0,0|1,0,0]=3 6033 B9R0.18 CCOCC(=O)CCCO 1458a_100000211967_100011215043 [1,1,0,0,0,0|1,0,1]=4 6034 B9R0.18 CCOCC(C)OCCO 34a_100000718985_100000211926 [1,1,0,0,0,0|2,0,0]=4 6035 B9R0.18 CCOCC(C)OCCO 7a_100000718985_100000211926 [1,1,0,0,0,0|2,0,0]=4 6036 B9R0.18 CCOCN(C)CCCO 269982a_100000213112_100000739092 [1,1,0,0,0,0|2,0,0]=4 6037 B9R0.18 CCSCC(=O)CCCO 1458a_100000230394_100011215043 [1,1,0,0,0,0|1,0,1]=4 6038 B9R0.18 CCSCC(C)NCCO 270004a_100000210304_200011216171 [1,1,0,0,0,0|2,0,0]=4 6039 B9R0.18 CN(CCCO)CCCF 2230a_100000213112_100011934791 [1,1,0,0,0,0|2,0,0]=4 6040 B9R0.18 CN(CCCO)CCCF 269982a_100000213112_100011934791 [1,1,0,0,0,0|2,0,0]=4 6041 B9R0.18 CN(CCCO)CCCO 2230a_100000212923_200000210301 [1,1,0,0,0,0|2,0,0]=4 6042 B9R0.18 CN(CCCO)CCCO 2230a_100000213112_100000230001 [1,1,0,0,0,0|2,0,0]=4 6043 B9R0.18 CN(CCCO)CCCO 269982a_100000212923_200000210301 [1,1,0,0,0,0|2,0,0]=4 6044 B9R0.18 CN(CCCO)CCCO 269982a_100000213112_100011215043 [1,1,0,0,0,0|2,0,0]=4 6045 B9R0.18 CN(CCCO)CCCO 34a_100000212923_200000210301 [1,1,0,0,0,0|2,0,0]=4 6046 B9R0.18 COCCC(=O)CCCO 1458a_100000749529_100011215043 [1,1,0,0,0,0|1,0,1]=4 6047 B9R0.18 COCCC(C)NCCO 270004a_100000210304_100000742357 [1,1,0,0,0,0|2,0,0]=4 6048 B9R0.18 COCCN(C)CCCO 2230a_100000213112_100011201679 [1,1,0,0,0,0|2,0,0]=4 6049 B9R0.18 COCCN(C)CCCO 2230a_100000743101_100000230001 [1,1,0,0,0,0|2,0,0]=4 6050 B9R0.18 COCCN(C)CCCO 269982a_100000213112_100000233755 [1,1,0,0,0,0|2,0,0]=4 6051 B9R0.18 COCCN(C)CCCO 269982a_100000743101_100011215043 [1,1,0,0,0,0|2,0,0]=4 6052 B9R0.18 CSCCC(=O)CCCO 1458a_100000174002_100011215043 [1,1,0,0,0,0|1,0,1]=4 6053 B9R0.18 CSCCC(C)NCCO 270004a_100000210304_100011217047 [1,1,0,0,0,0|2,0,0]=4 6054 B9R0.18 CSCCN(C)CCCO 2230a_100000213112_100000751147 [1,1,0,0,0,0|2,0,0]=4 6055 B9R0.18 CSCCN(C)CCCO 2230a_100000686725_100000230001 [1,1,0,0,0,0|2,0,0]=4 6056 B9R0.18 CSCCN(C)CCCO 269982a_100000213112_100000212216 [1,1,0,0,0,0|2,0,0]=4 6057 B9R0.18 CSCCN(C)CCCO 269982a_100000686725_100011215043 [1,1,0,0,0,0|2,0,0]=4 6058 B9R0.18 C[C@H](CCCO)CNCF 34a_100160569302_100015361967 [1,1,0,0,0,0|2,0,0]=4 6059 B9R0.18 [13CH3]N(CCCO)CCCO 2230a_100000212923_200025704644 [1,1,0,0,0,0|2,0,0]=4 6060 B9R0.18 [13CH3]N(CCCO)CCCO 269982a_100000212923_200025704644 [1,1,0,0,0,0|2,0,0]=4 6061 B9R0.18 [13CH3]N(CCCO)CCCO 34a_100000212923_200025704644 [1,1,0,0,0,0|2,0,0]=4 6062 B9R0.45 C#CCCCCCCNC 2230a_106832991635_100012276617 [1,1,0,0,0,0|1,0,1]=4 6063 B9R0.45 C#CCCCCCCNC 34a_100102657272_100012276617 [1,1,0,0,0,0|1,0,1]=4 6064 B9R0.45 C#CCCCCCCNC 7a_106832991635_100012276617 [1,1,0,0,0,0|1,0,1]=4 6065 B9R0.45 C#CCCCCCCOC 34a_100011217361_200000210301 [1,1,0,0,0,0|0,0,2]=4 6066 B9R0.45 C#CCCCCCCOC 34a_100138415774_100012276617 [1,1,0,0,0,0|0,0,2]=4 6067 B9R0.45 C#CCCCCCCOC 7a_100011217361_200000210301 [1,1,0,0,0,0|0,0,2]=4 6068 B9R0.45 C#CCCCCCCO[13CH3] 34a_100011217361_200025704644 [1,1,0,0,0,0|0,0,2]=4 6069 B9R0.45 C#CCCCCCCO[13CH3] 7a_100011217361_200025704644 [1,1,0,0,0,0|0,0,2]=4 6070 B9R0.45 C#CCCCCCCSC 62a_100012276617_200000210301 [1,1,0,0,0,0|1,0,1]=4 6071 B9R0.45 C#CCCCCCCSC 62a_200000210301_100012276617 [1,1,0,0,0,0|1,0,1]=4 6072 B9R0.45 C#CCCCCCCS[13CH3] 62a_100012276617_200025704644 [1,1,0,0,0,0|1,0,1]=4 6073 B9R0.45 C#CCCCCCCS[13CH3] 62a_200025704644_100012276617 [1,1,0,0,0,0|1,0,1]=4 6074 B9R0.45 C#CCCCCCNCC 2230a_100015525214_100012094781 [1,1,0,0,0,0|1,0,1]=4 6075 B9R0.45 C#CCCCCCOCC 34a_100000766912_100000210202 [1,1,0,0,0,0|1,0,1]=4 6076 B9R0.45 C#CCCCCCOCC 34a_100121572206_100012094781 [1,1,0,0,0,0|1,0,1]=4 6077 B9R0.45 C#CCCCCCOCC 7a_100000766912_100000210202 [1,1,0,0,0,0|1,0,1]=4 6078 B9R0.45 C#CCCCCCSCC 62a_100000210202_100012094781 [1,1,0,0,0,0|1,0,1]=4 6079 B9R0.45 C#CCCCCCSCC 62a_100012094781_100000210202 [1,1,0,0,0,0|1,0,1]=4 6080 B9R0.45 C#CCCCCNCCC 2230a_100000706060_100000210303 [1,1,0,0,0,0|1,0,1]=4 6081 B9R0.45 C#CCCCCNCCC 34a_100000706060_100000210303 [1,1,0,0,0,0|1,0,1]=4 6082 B9R0.45 C#CCCCCNCCO 2230a_100000706060_100000211926 [1,1,0,0,0,0|0,0,2]=4 6083 B9R0.45 C#CCCCCNCCO 2230a_100016997473_100010269958 [1,1,0,0,0,0|0,0,2]=4 6084 B9R0.45 C#CCCCCNCCO 34a_100000706060_100000211926 [1,1,0,0,0,0|0,0,2]=4 6085 B9R0.45 C#CCCCCNCCO 34a_100016990907_100010269958 [1,1,0,0,0,0|0,0,2]=4 6086 B9R0.45 C#CCCCCOCCC 34a_100000210258_100010269958 [1,1,0,0,0,0|1,0,1]=4 6087 B9R0.45 C#CCCCCOCCC 34a_100000766709_100000210303 [1,1,0,0,0,0|1,0,1]=4 6088 B9R0.45 C#CCCCCOCCC 7a_100000766709_100000210303 [1,1,0,0,0,0|1,0,1]=4 6089 B9R0.45 C#CCCCCOCCO 34a_100000766709_100000211926 [1,1,0,0,0,0|0,0,2]=4 6090 B9R0.45 C#CCCCCOCCO 7a_100000766709_100000211926 [1,1,0,0,0,0|0,0,2]=4 6091 B9R0.45 C#CCCCCSCCC 62a_100000210303_100010269958 [1,1,0,0,0,0|1,0,1]=4 6092 B9R0.45 C#CCCCCSCCC 62a_100010269958_100000210303 [1,1,0,0,0,0|1,0,1]=4 6093 B9R0.45 C#CCCCCSCCO 62a_100000211926_100010269958 [1,1,0,0,0,0|0,0,2]=4 6094 B9R0.45 C#CCCCCSCCO 62a_100010269958_100000211926 [1,1,0,0,0,0|0,0,2]=4 6095 B9R0.45 C#CCCCNCCCC 2230a_100000102301_100000731252 [1,1,0,0,0,0|1,0,1]=4 6096 B9R0.45 C#CCCCNCCCC 34a_100000718082_100000210210 [1,1,0,0,0,0|1,0,1]=4 6097 B9R0.45 C#CCCCNCCCC 7a_106832991798_100011215417 [1,1,0,0,0,0|1,0,1]=4 6098 B9R0.45 C#CCCCNCCCO 34a_100000718082_100000230001 [1,1,0,0,0,0|0,0,2]=4 6099 B9R0.45 C#CCCCOCCCC 34a_100000210227_100000695029 [1,1,0,0,0,0|1,0,1]=4 6100 B9R0.45 C#CCCCOCCCC 34a_100000215630_100000210210 [1,1,0,0,0,0|1,0,1]=4 6101 B9R0.45 C#CCCCOCCCC 7a_100000210227_100011215417 [1,1,0,0,0,0|1,0,1]=4 6102 B9R0.45 C#CCCCOCCCC 7a_100000215630_100000210211 [1,1,0,0,0,0|1,0,1]=4 6103 B9R0.45 C#CCCCOCCCO 34a_100000215630_100000230001 [1,1,0,0,0,0|0,0,2]=4 6104 B9R0.45 C#CCCCOCCCO 7a_100000215630_100011215043 [1,1,0,0,0,0|0,0,2]=4 6105 B9R0.45 C#CCCCSCCCC 62a_100000210211_100011215417 [1,1,0,0,0,0|1,0,1]=4 6106 B9R0.45 C#CCCCSCCCC 62a_100011215417_100000210210 [1,1,0,0,0,0|1,0,1]=4 6107 B9R0.45 C#CCCCSCCCO 62a_100011215043_100011215417 [1,1,0,0,0,0|0,0,2]=4 6108 B9R0.45 C#CCCCSCCCO 62a_100011215417_100011215043 [1,1,0,0,0,0|0,0,2]=4 6109 B9R0.45 C#CCCNCCCCC 2230a_100000209983_100000688953 [1,1,0,0,0,0|1,0,1]=4 6110 B9R0.45 C#CCCNCCCCC 34a_100000755551_100000718602 [1,1,0,0,0,0|1,0,1]=4 6111 B9R0.45 C#CCCNCCCCO 2230a_100000750430_100000688953 [1,1,0,0,0,0|0,0,2]=4 6112 B9R0.45 C#CCCNCCCCO 34a_100000750430_100000688953 [1,1,0,0,0,0|0,0,2]=4 6113 B9R0.45 C#CCCNCCCCO 34a_100000755551_100011216708 [1,1,0,0,0,0|0,0,2]=4 6114 B9R0.45 C#CCCOCCCCC 34a_100000210253_100000688953 [1,1,0,0,0,0|1,0,1]=4 6115 B9R0.45 C#CCCOCCCCC 34a_100011215631_100000718602 [1,1,0,0,0,0|1,0,1]=4 6116 B9R0.45 C#CCCOCCCCC 7a_100000210253_100000688953 [1,1,0,0,0,0|1,0,1]=4 6117 B9R0.45 C#CCCOCCCCO 34a_100011215631_100011216708 [1,1,0,0,0,0|0,0,2]=4 6118 B9R0.45 C#CCCSCCCCC 62a_100000210326_100000688953 [1,1,0,0,0,0|1,0,1]=4 6119 B9R0.45 C#CCCSCCCCC 62a_100000688953_100000210326 [1,1,0,0,0,0|1,0,1]=4 6120 B9R0.45 C#CCCSCCCCO 62a_100000210776_100000688953 [1,1,0,0,0,0|0,0,2]=4 6121 B9R0.45 C#CCCSCCCCO 62a_100000688953_100000210776 [1,1,0,0,0,0|0,0,2]=4 6122 B9R0.45 C#CCNCCCCCC 2230a_100000210581_100000038162 [1,1,0,0,0,0|1,0,1]=4 6123 B9R0.45 C#CCNCCCCCC 34a_100000212058_100000210314 [1,1,0,0,0,0|1,0,1]=4 6124 B9R0.45 C#CCNCCCCCO 2230a_100000762737_100000038162 [1,1,0,0,0,0|0,0,2]=4 6125 B9R0.45 C#CCNCCCCCO 34a_100000212058_100000746330 [1,1,0,0,0,0|0,0,2]=4 6126 B9R0.45 C#CCNCCCCCO 34a_100000762737_100000184674 [1,1,0,0,0,0|0,0,2]=4 6127 B9R0.45 C#CCOCCCCCC 34a_100000210247_100000210314 [1,1,0,0,0,0|1,0,1]=4 6128 B9R0.45 C#CCOCCCCCC 34a_100000210259_100000184674 [1,1,0,0,0,0|1,0,1]=4 6129 B9R0.45 C#CCOCCCCCC 7a_100000210259_100000038162 [1,1,0,0,0,0|1,0,1]=4 6130 B9R0.45 C#CCOCCCCCO 34a_100000210247_100000746330 [1,1,0,0,0,0|0,0,2]=4 6131 B9R0.45 C#CCSCCCCCC 62a_100000038162_100000210757 [1,1,0,0,0,0|1,0,1]=4 6132 B9R0.45 C#CCSCCCCCO 62a_100000038162_100000746330 [1,1,0,0,0,0|0,0,2]=4 6133 B9R0.45 C/C=C/CCOCCCO 34a_100016278192_100000230001 [1,1,0,0,0,0|0,0,2]=4 6134 B9R0.45 C/C=C/CNCCCCO 34a_100000750430_100102629194 [1,1,0,0,0,0|0,0,2]=4 6135 B9R0.45 C/C=C/COCCCCO 34a_100016270725_100011216708 [1,1,0,0,0,0|0,0,2]=4 6136 B9R0.45 C/C=C/CSCCCCO 62a_100000210776_100102629194 [1,1,0,0,0,0|0,0,2]=4 6137 B9R0.45 C/C=C/CSCCCCO 62a_100102629194_100000210776 [1,1,0,0,0,0|0,0,2]=4 6138 B9R0.45 C=CCCCCCCNC 2230a_106832991635_100011215473 [1,1,0,0,0,0|1,0,1]=4 6139 B9R0.45 C=CCCCCCCNC 34a_100102657272_100011215473 [1,1,0,0,0,0|1,0,1]=4 6140 B9R0.45 C=CCCCCCCNC 7a_106832991635_100011215473 [1,1,0,0,0,0|1,0,1]=4 6141 B9R0.45 C=CCCCCCCOC 34a_100138415774_100011215473 [1,1,0,0,0,0|0,0,2]=4 6142 B9R0.45 C=CCCCCCCOC 34a_200011216477_200000210301 [1,1,0,0,0,0|0,0,2]=4 6143 B9R0.45 C=CCCCCCCOC 7a_200011216477_200000210301 [1,1,0,0,0,0|0,0,2]=4 6144 B9R0.45 C=CCCCCCCO[13CH3] 34a_200011216477_200025704644 [1,1,0,0,0,0|0,0,2]=4 6145 B9R0.45 C=CCCCCCCO[13CH3] 7a_200011216477_200025704644 [1,1,0,0,0,0|0,0,2]=4 6146 B9R0.45 C=CCCCCCCSC 62a_100011215473_200000210301 [1,1,0,0,0,0|1,0,1]=4 6147 B9R0.45 C=CCCCCCCSC 62a_200000210301_100011215473 [1,1,0,0,0,0|1,0,1]=4 6148 B9R0.45 C=CCCCCCCS[13CH3] 62a_100011215473_200025704644 [1,1,0,0,0,0|1,0,1]=4 6149 B9R0.45 C=CCCCCCCS[13CH3] 62a_200025704644_100011215473 [1,1,0,0,0,0|1,0,1]=4 6150 B9R0.45 C=CCCCCCNCC 2230a_100015525214_100000700193 [1,1,0,0,0,0|1,0,1]=4 6151 B9R0.45 C=CCCCCCOCC 34a_100011216702_100000210202 [1,1,0,0,0,0|1,0,1]=4 6152 B9R0.45 C=CCCCCCOCC 34a_100121572206_100000700193 [1,1,0,0,0,0|1,0,1]=4 6153 B9R0.45 C=CCCCCCOCC 7a_100011216702_100000210202 [1,1,0,0,0,0|1,0,1]=4 6154 B9R0.45 C=CCCCCCSCC 62a_100000210202_100000700193 [1,1,0,0,0,0|1,0,1]=4 6155 B9R0.45 C=CCCCCCSCC 62a_100000700193_100000210202 [1,1,0,0,0,0|1,0,1]=4 6156 B9R0.45 C=CCCCCNCCC 2230a_100000703577_100000210303 [1,1,0,0,0,0|1,0,1]=4 6157 B9R0.45 C=CCCCCNCCC 34a_100000703577_100000210303 [1,1,0,0,0,0|1,0,1]=4 6158 B9R0.45 C=CCCCCNCCO 2230a_100000703577_100000211926 [1,1,0,0,0,0|0,0,2]=4 6159 B9R0.45 C=CCCCCNCCO 2230a_100016997473_100011215482 [1,1,0,0,0,0|0,0,2]=4 6160 B9R0.45 C=CCCCCNCCO 34a_100000703577_100000211926 [1,1,0,0,0,0|0,0,2]=4 6161 B9R0.45 C=CCCCCNCCO 34a_100016990907_100011215482 [1,1,0,0,0,0|0,0,2]=4 6162 B9R0.45 C=CCCCCOCCC 34a_100000210258_100011215482 [1,1,0,0,0,0|1,0,1]=4 6163 B9R0.45 C=CCCCCOCCC 34a_100000766645_100000210303 [1,1,0,0,0,0|1,0,1]=4 6164 B9R0.45 C=CCCCCOCCC 7a_100000766645_100000210303 [1,1,0,0,0,0|1,0,1]=4 6165 B9R0.45 C=CCCCCOCCO 34a_100000766645_100000211926 [1,1,0,0,0,0|0,0,2]=4 6166 B9R0.45 C=CCCCCOCCO 7a_100000766645_100000211926 [1,1,0,0,0,0|0,0,2]=4 6167 B9R0.45 C=CCCCCSCCC 62a_100000210303_100011215482 [1,1,0,0,0,0|1,0,1]=4 6168 B9R0.45 C=CCCCCSCCC 62a_100011215482_100000210303 [1,1,0,0,0,0|1,0,1]=4 6169 B9R0.45 C=CCCCCSCCO 62a_100000211926_100011215482 [1,1,0,0,0,0|0,0,2]=4 6170 B9R0.45 C=CCCCCSCCO 62a_100011215482_100000211926 [1,1,0,0,0,0|0,0,2]=4 6171 B9R0.45 C=CCCCNCCCC 2230a_100000102301_100011713584 [1,1,0,0,0,0|1,0,1]=4 6172 B9R0.45 C=CCCCNCCCC 2230a_100000700776_100000210211 [1,1,0,0,0,0|1,0,1]=4 6173 B9R0.45 C=CCCCNCCCC 34a_100000700776_100000210210 [1,1,0,0,0,0|1,0,1]=4 6174 B9R0.45 C=CCCCNCCCC 7a_106832991798_100000757094 [1,1,0,0,0,0|1,0,1]=4 6175 B9R0.45 C=CCCCNCCCO 2230a_100000700776_100000230001 [1,1,0,0,0,0|0,0,2]=4 6176 B9R0.45 C=CCCCNCCCO 34a_100000700776_100000230001 [1,1,0,0,0,0|0,0,2]=4 6177 B9R0.45 C=CCCCOCCCC 34a_100000210227_100000757094 [1,1,0,0,0,0|1,0,1]=4 6178 B9R0.45 C=CCCCOCCCC 34a_100000758997_100000210210 [1,1,0,0,0,0|1,0,1]=4 6179 B9R0.45 C=CCCCOCCCC 7a_100000210227_100000757094 [1,1,0,0,0,0|1,0,1]=4 6180 B9R0.45 C=CCCCOCCCC 7a_100000758997_100000210211 [1,1,0,0,0,0|1,0,1]=4 6181 B9R0.45 C=CCCCOCCCO 34a_100000758997_100000230001 [1,1,0,0,0,0|0,0,2]=4 6182 B9R0.45 C=CCCCOCCCO 7a_100000758997_100011215043 [1,1,0,0,0,0|0,0,2]=4 6183 B9R0.45 C=CCCCSCCCC 62a_100000210211_100000757094 [1,1,0,0,0,0|1,0,1]=4 6184 B9R0.45 C=CCCCSCCCC 62a_100011713584_100000210210 [1,1,0,0,0,0|1,0,1]=4 6185 B9R0.45 C=CCCCSCCCO 62a_100011215043_100000757094 [1,1,0,0,0,0|0,0,2]=4 6186 B9R0.45 C=CCCCSCCCO 62a_100011713584_100011215043 [1,1,0,0,0,0|0,0,2]=4 6187 B9R0.45 C=CCCNCCCCC 2230a_100000209983_100000754431 [1,1,0,0,0,0|1,0,1]=4 6188 B9R0.45 C=CCCNCCCCC 2230a_100015191253_100000210326 [1,1,0,0,0,0|1,0,1]=4 6189 B9R0.45 C=CCCNCCCCO 2230a_100000750430_100000754431 [1,1,0,0,0,0|0,0,2]=4 6190 B9R0.45 C=CCCNCCCCO 2230a_100015191253_100000210776 [1,1,0,0,0,0|0,0,2]=4 6191 B9R0.45 C=CCCNCCCCO 34a_100000750430_100000754431 [1,1,0,0,0,0|0,0,2]=4 6192 B9R0.45 C=CCCOCCCCC 34a_100000210253_100000754431 [1,1,0,0,0,0|1,0,1]=4 6193 B9R0.45 C=CCCOCCCCC 34a_100011205117_100000718602 [1,1,0,0,0,0|1,0,1]=4 6194 B9R0.45 C=CCCOCCCCC 7a_100000210253_100000754431 [1,1,0,0,0,0|1,0,1]=4 6195 B9R0.45 C=CCCOCCCCO 34a_100011205117_100011216708 [1,1,0,0,0,0|0,0,2]=4 6196 B9R0.45 C=CCCSCCCCC 62a_100000210326_100000754431 [1,1,0,0,0,0|1,0,1]=4 6197 B9R0.45 C=CCCSCCCCC 62a_100000754431_100000210326 [1,1,0,0,0,0|1,0,1]=4 6198 B9R0.45 C=CCCSCCCCO 62a_100000210776_100000754431 [1,1,0,0,0,0|0,0,2]=4 6199 B9R0.45 C=CCCSCCCCO 62a_100000754431_100000210776 [1,1,0,0,0,0|0,0,2]=4 6200 B9R0.45 C=CCNCCCCCC 2230a_100000210581_100000210623 [1,1,0,0,0,0|1,0,1]=4 6201 B9R0.45 C=CCNCCCCCC 2230a_100020586998_100000210314 [1,1,0,0,0,0|1,0,1]=4 6202 B9R0.45 C=CCNCCCCCO 2230a_100000762737_100000210623 [1,1,0,0,0,0|0,0,2]=4 6203 B9R0.45 C=CCNCCCCCO 2230a_100020586998_100000746330 [1,1,0,0,0,0|0,0,2]=4 6204 B9R0.45 C=CCNCCCCCO 34a_100000762737_100015514636 [1,1,0,0,0,0|0,0,2]=4 6205 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [1,1,0,0,0,0|1,0,1]=4 6206 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [1,1,0,0,0,0|1,0,1]=4 6207 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [1,1,0,0,0,0|1,0,1]=4 6208 B9R0.45 C=CCOCCCCCO 34a_200000210373_100000746330 [1,1,0,0,0,0|0,0,2]=4 6209 B9R0.45 C=CCSCCCCCC 62a_100000210314_100000210623 [1,1,0,0,0,0|1,0,1]=4 6210 B9R0.45 C=CCSCCCCCC 62a_100000210623_100000210757 [1,1,0,0,0,0|1,0,1]=4 6211 B9R0.45 C=CCSCCCCCO 62a_100000210623_100000746330 [1,1,0,0,0,0|0,0,2]=4 6212 B9R0.45 C=CCSCCCCCO 62a_100000746330_100000210623 [1,1,0,0,0,0|0,0,2]=4 6213 B9R0.45 CC#CCCOCCCO 34a_100000750427_100000230001 [1,1,0,0,0,0|0,0,2]=4 6214 B9R0.45 CC#CCNCCCCO 2230a_100000685387_100000210776 [1,1,0,0,0,0|0,0,2]=4 6215 B9R0.45 CC#CCNCCCCO 2230a_100000750430_100000748600 [1,1,0,0,0,0|0,0,2]=4 6216 B9R0.45 CC#CCNCCCCO 34a_100000685387_100011216708 [1,1,0,0,0,0|0,0,2]=4 6217 B9R0.45 CC#CCNCCCCO 34a_100000750430_100000748600 [1,1,0,0,0,0|0,0,2]=4 6218 B9R0.45 CC#CCOCCCCO 34a_100000761923_100011216708 [1,1,0,0,0,0|0,0,2]=4 6219 B9R0.45 CC#CCSCCCCO 62a_100000210776_100000748600 [1,1,0,0,0,0|0,0,2]=4 6220 B9R0.45 CC#CCSCCCCO 62a_100000748600_100000210776 [1,1,0,0,0,0|0,0,2]=4 6221 B9R0.45 CC/C=C\CCCCOC 34a_100016287862_200000210301 [1,1,0,0,0,0|0,0,2]=4 6222 B9R0.45 CC/C=C\CCCCOC 7a_100016287862_200000210301 [1,1,0,0,0,0|0,0,2]=4 6223 B9R0.45 CC/C=C\CCCCO[13CH3] 34a_100016287862_200025704644 [1,1,0,0,0,0|0,0,2]=4 6224 B9R0.45 CC/C=C\CCCCO[13CH3] 7a_100016287862_200025704644 [1,1,0,0,0,0|0,0,2]=4 6225 B9R0.45 CC/C=C\CCNCCO 2230a_100016997473_100015370543 [1,1,0,0,0,0|0,0,2]=4 6226 B9R0.45 CC/C=C\CCNCCO 34a_100016990907_100015370543 [1,1,0,0,0,0|0,0,2]=4 6227 B9R0.45 CC/C=C\CCOCCO 34a_100016288707_100000211926 [1,1,0,0,0,0|0,0,2]=4 6228 B9R0.45 CC/C=C\CCOCCO 7a_100016288707_100000211926 [1,1,0,0,0,0|0,0,2]=4 6229 B9R0.45 CC/C=C\CCSCCO 62a_100000211926_100015370543 [1,1,0,0,0,0|0,0,2]=4 6230 B9R0.45 CC/C=C\CCSCCO 62a_100015370543_100000211926 [1,1,0,0,0,0|0,0,2]=4 6231 B9R0.45 CC/C=C\COCCCO 34a_100016268518_100000230001 [1,1,0,0,0,0|0,0,2]=4 6232 B9R0.45 CC/C=C\CSCCCO 62a_100011215043_100103147603 [1,1,0,0,0,0|0,0,2]=4 6233 B9R0.45 CC/C=C\CSCCCO 62a_100103147603_100011215043 [1,1,0,0,0,0|0,0,2]=4 6234 B9R0.45 CC=CCCCOCCO 34a_100020645299_100000211926 [1,1,0,0,0,0|0,0,2]=4 6235 B9R0.45 CC=CCNCCCCO 2230a_100000750430_100000070051 [1,1,0,0,0,0|0,0,2]=4 6236 B9R0.45 CC=CCNCCCCO 34a_100000750430_100000070051 [1,1,0,0,0,0|0,0,2]=4 6237 B9R0.45 CC=CCSCCCCO 62a_100000070051_100000210776 [1,1,0,0,0,0|0,0,2]=4 6238 B9R0.45 CC=CCSCCCCO 62a_100000210776_100000070051 [1,1,0,0,0,0|0,0,2]=4 6239 B9R0.45 CCC#CCCOCCO 34a_100000036655_100000211926 [1,1,0,0,0,0|0,0,2]=4 6240 B9R0.45 CCC#CCCOCCO 7a_100000036655_100000211926 [1,1,0,0,0,0|0,0,2]=4 6241 B9R0.45 CCC#CCOCCCO 34a_100000032950_100000230001 [1,1,0,0,0,0|0,0,2]=4 6242 B9R0.45 CCC#CCSCCCO 62a_100009813939_100011215043 [1,1,0,0,0,0|0,0,2]=4 6243 B9R0.45 CCC#CCSCCCO 62a_100011215043_100009813939 [1,1,0,0,0,0|0,0,2]=4 6244 B9R0.45 CCC/C=C/COCCO 34a_100016278788_100000211926 [1,1,0,0,0,0|0,0,2]=4 6245 B9R0.45 CCC/C=C/COCCO 7a_100016278788_100000211926 [1,1,0,0,0,0|0,0,2]=4 6246 B9R0.45 CCCC#CCOCCO 34a_100000034806_100000211926 [1,1,0,0,0,0|0,0,2]=4 6247 B9R0.45 CCCC#CCOCCO 7a_100000034806_100000211926 [1,1,0,0,0,0|0,0,2]=4 6248 B9R0.45 CCCC/C=C\CCOC 34a_200016286491_200000210301 [1,1,0,0,0,0|0,0,2]=4 6249 B9R0.45 CCCC/C=C\CCOC 7a_200016286491_200000210301 [1,1,0,0,0,0|0,0,2]=4 6250 B9R0.45 CCCC/C=C\CCO[13CH3] 34a_200016286491_200025704644 [1,1,0,0,0,0|0,0,2]=4 6251 B9R0.45 CCCC/C=C\CCO[13CH3] 7a_200016286491_200025704644 [1,1,0,0,0,0|0,0,2]=4 6252 B9R0.45 CCCCC#CCCOC 34a_100000037610_200000210301 [1,1,0,0,0,0|0,0,2]=4 6253 B9R0.45 CCCCC#CCCOC 7a_100000037610_200000210301 [1,1,0,0,0,0|0,0,2]=4 6254 B9R0.45 CCCCC#CCCO[13CH3] 34a_100000037610_200025704644 [1,1,0,0,0,0|0,0,2]=4 6255 B9R0.45 CCCCC#CCCO[13CH3] 7a_100000037610_200025704644 [1,1,0,0,0,0|0,0,2]=4 6256 B9R0.45 CCCCC/C=C/COC 34a_100016258190_200000210301 [1,1,0,0,0,0|0,0,2]=4 6257 B9R0.45 CCCCC/C=C/COC 7a_100016258190_200000210301 [1,1,0,0,0,0|0,0,2]=4 6258 B9R0.45 CCCCC/C=C/CO[13CH3] 34a_100016258190_200025704644 [1,1,0,0,0,0|0,0,2]=4 6259 B9R0.45 CCCCC/C=C/CO[13CH3] 7a_100016258190_200025704644 [1,1,0,0,0,0|0,0,2]=4 6260 B9R0.45 CCCCC=NNCCO 4a_100000210001_100000210104 [1,1,0,0,0,0|1,0,1]=4 6261 B9R0.45 CCCCCC#CCOC 34a_100138415774_100009816472 [1,1,0,0,0,0|0,0,2]=4 6262 B9R0.45 CCCCCC#CCOC 34a_200000033628_200000210301 [1,1,0,0,0,0|0,0,2]=4 6263 B9R0.45 CCCCCC#CCOC 7a_200000033628_200000210301 [1,1,0,0,0,0|0,0,2]=4 6264 B9R0.45 CCCCCC#CCO[13CH3] 34a_200000033628_200025704644 [1,1,0,0,0,0|0,0,2]=4 6265 B9R0.45 CCCCCC#CCO[13CH3] 7a_200000033628_200025704644 [1,1,0,0,0,0|0,0,2]=4 6266 B9R0.45 CCCCCCCCNC 2230a_100000229939_200000210301 [1,1,0,0,0,0|1,0,0]=3 6267 B9R0.45 CCCCCCCCNC 2230a_106832991635_100000210759 [1,1,0,0,0,0|1,0,0]=3 6268 B9R0.45 CCCCCCCCNC 34a_100000229939_200000210301 [1,1,0,0,0,0|1,0,0]=3 6269 B9R0.45 CCCCCCCCNC 34a_100102657272_100000210759 [1,1,0,0,0,0|1,0,0]=3 6270 B9R0.45 CCCCCCCCNC 7a_106832991635_100000210759 [1,1,0,0,0,0|1,0,0]=3 6271 B9R0.45 CCCCCCCCN[13CH3] 2230a_100000229939_200025704644 [1,1,0,0,0,0|1,0,0]=3 6272 B9R0.45 CCCCCCCCN[13CH3] 34a_100000229939_200025704644 [1,1,0,0,0,0|1,0,0]=3 6273 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [1,1,0,0,0,0|0,0,0]=2 6274 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [1,1,0,0,0,0|0,0,0]=2 6275 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [1,1,0,0,0,0|0,0,0]=2 6276 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [1,1,0,0,0,0|0,0,0]=2 6277 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [1,1,0,0,0,0|0,0,0]=2 6278 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [1,1,0,0,0,0|0,1,0]=3 6279 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [1,1,0,0,0,0|0,1,0]=3 6280 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [1,1,0,0,0,0|0,1,0]=3 6281 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [1,1,0,0,0,0|0,1,0]=3 6282 B9R0.45 CCCCCCCNCC 2230a_100000229938_100000210202 [1,1,0,0,0,0|1,0,0]=3 6283 B9R0.45 CCCCCCCNCC 2230a_100015525214_100000210681 [1,1,0,0,0,0|1,0,0]=3 6284 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [1,1,0,0,0,0|1,0,0]=3 6285 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [1,1,0,0,0,0|1,0,0]=3 6286 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [1,1,0,0,0,0|1,0,0]=3 6287 B9R0.45 CCCCCCCOCF 34a_100000210272_100015361967 [1,1,0,0,0,0|1,0,0]=3 6288 B9R0.45 CCCCCCCOCF 7a_100000210272_100015361967 [1,1,0,0,0,0|1,0,0]=3 6289 B9R0.45 CCCCCCCSCC 62a_100000210202_100000210316 [1,1,0,0,0,0|1,0,0]=3 6290 B9R0.45 CCCCCCCSCC 62a_100000210614_100000210202 [1,1,0,0,0,0|1,0,0]=3 6291 B9R0.45 CCCCCCCSCF 62a_100000210614_100015361967 [1,1,0,0,0,0|1,0,0]=3 6292 B9R0.45 CCCCCCCSCF 62a_100015361967_100000210316 [1,1,0,0,0,0|1,0,0]=3 6293 B9R0.45 CCCCCCNCC#N 2230a_100000210581_100011215382 [1,1,0,0,0,0|1,0,1]=4 6294 B9R0.45 CCCCCCNCC=O 2230a_100000210581_200015260668 [1,1,0,0,0,0|0,0,2]=4 6295 B9R0.45 CCCCCCNCCC 2230a_100000210581_100000210303 [1,1,0,0,0,0|1,0,0]=3 6296 B9R0.45 CCCCCCNCCF 2230a_100000210581_100011217306 [1,1,0,0,0,0|1,0,0]=3 6297 B9R0.45 CCCCCCNCCF 34a_100000724931_100000210314 [1,1,0,0,0,0|1,0,0]=3 6298 B9R0.45 CCCCCCNCCO 2230a_100000210581_100000211926 [1,1,0,0,0,0|0,0,0]=2 6299 B9R0.45 CCCCCCNCCO 2230a_100016997473_100000210314 [1,1,0,0,0,0|0,0,0]=2 6300 B9R0.45 CCCCCCNCCO 34a_100016990907_100000210314 [1,1,0,0,0,0|0,0,0]=2 6301 B9R0.45 CCCCCCNCOC 2230a_100000210581_100000766300 [1,1,0,0,0,0|1,0,0]=3 6302 B9R0.45 CCCCCCNCSC 2230a_100000210581_100011218213 [1,1,0,0,0,0|1,1,0]=4 6303 B9R0.45 CCCCCCOCC#N 7a_100000210259_100011215382 [1,1,0,0,0,0|1,0,1]=4 6304 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [1,1,0,0,0,0|0,0,2]=4 6305 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [1,1,0,0,0,0|0,0,2]=4 6306 B9R0.45 CCCCCCOCCBr 34a_100000211926_100000210314 [1,1,0,0,0,0|1,0,0]=3 6307 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [1,1,0,0,0,0|1,0,0]=3 6308 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [1,1,0,0,0,0|1,0,0]=3 6309 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [1,1,0,0,0,0|1,0,0]=3 6310 B9R0.45 CCCCCCOCCF 34a_100000210259_100011217306 [1,1,0,0,0,0|1,0,0]=3 6311 B9R0.45 CCCCCCOCCF 7a_100000210259_100011217306 [1,1,0,0,0,0|1,0,0]=3 6312 B9R0.45 CCCCCCOCCN 34a_100000210304_100000210314 [1,1,0,0,0,0|1,0,0]=3 6313 B9R0.45 CCCCCCOCCO 34a_100000210259_100000211926 [1,1,0,0,0,0|0,0,0]=2 6314 B9R0.45 CCCCCCOCCO 7a_100000210259_100000211926 [1,1,0,0,0,0|0,0,0]=2 6315 B9R0.45 CCCCCCOCSC 34a_100000210259_100011218213 [1,1,0,0,0,0|1,1,0]=4 6316 B9R0.45 CCCCCCSCC#N 62a_100000210314_100011215382 [1,1,0,0,0,0|1,0,1]=4 6317 B9R0.45 CCCCCCSCC#N 62a_100011215382_100000210757 [1,1,0,0,0,0|1,0,1]=4 6318 B9R0.45 CCCCCCSCC=O 62a_100000210314_200015260668 [1,1,0,0,0,0|0,0,2]=4 6319 B9R0.45 CCCCCCSCC=O 62a_200015260668_100000210757 [1,1,0,0,0,0|0,0,2]=4 6320 B9R0.45 CCCCCCSCCC 62a_100000210303_100000210757 [1,1,0,0,0,0|1,0,0]=3 6321 B9R0.45 CCCCCCSCCC 62a_100000210314_100000210303 [1,1,0,0,0,0|1,0,0]=3 6322 B9R0.45 CCCCCCSCCF 62a_100000210314_100011217306 [1,1,0,0,0,0|1,0,0]=3 6323 B9R0.45 CCCCCCSCCF 62a_100011217306_100000210757 [1,1,0,0,0,0|1,0,0]=3 6324 B9R0.45 CCCCCCSCCO 62a_100000210314_100000211926 [1,1,0,0,0,0|0,0,0]=2 6325 B9R0.45 CCCCCCSCCO 62a_100000211926_100000210757 [1,1,0,0,0,0|0,0,0]=2 6326 B9R0.45 CCCCCCSCOC 62a_100000210314_100000766300 [1,1,0,0,0,0|1,0,0]=3 6327 B9R0.45 CCCCCCSCOC 62a_100000766300_100000210757 [1,1,0,0,0,0|1,0,0]=3 6328 B9R0.45 CCCCCCSCSC 62a_100000210314_100011218213 [1,1,0,0,0,0|1,1,0]=4 6329 B9R0.45 CCCCCCSCSC 62a_100011218213_100000210757 [1,1,0,0,0,0|1,1,0]=4 6330 B9R0.45 CCCCCNCCC#N 2230a_100000209983_100011215226 [1,1,0,0,0,0|1,0,1]=4 6331 B9R0.45 CCCCCNCCCC 2230a_100000102301_100000210326 [1,1,0,0,0,0|1,0,0]=3 6332 B9R0.45 CCCCCNCCCC 2230a_100000209983_100000210211 [1,1,0,0,0,0|1,0,0]=3 6333 B9R0.45 CCCCCNCCCC 7a_106832991798_100000210326 [1,1,0,0,0,0|1,0,0]=3 6334 B9R0.45 CCCCCNCCCF 2230a_100000209983_100011934791 [1,1,0,0,0,0|1,0,0]=3 6335 B9R0.45 CCCCCNCCCF 2230a_100015189416_100000210326 [1,1,0,0,0,0|1,0,0]=3 6336 B9R0.45 CCCCCNCCCF 34a_100015189416_100000718602 [1,1,0,0,0,0|1,0,0]=3 6337 B9R0.45 CCCCCNCCCO 2230a_100000209983_100000230001 [1,1,0,0,0,0|0,0,0]=2 6338 B9R0.45 CCCCCNCCOC 2230a_100000209980_100000210326 [1,1,0,0,0,0|1,0,0]=3 6339 B9R0.45 CCCCCNCCOC 2230a_100000209983_100011201679 [1,1,0,0,0,0|1,0,0]=3 6340 B9R0.45 CCCCCNCCOC 34a_100000224656_200000210301 [1,1,0,0,0,0|1,0,0]=3 6341 B9R0.45 CCCCCNCCO[13CH3] 34a_100000224656_200025704644 [1,1,0,0,0,0|1,0,0]=3 6342 B9R0.45 CCCCCNCCSC 2230a_100000209983_100000751147 [1,1,0,0,0,0|1,1,0]=4 6343 B9R0.45 CCCCCNCCSC 2230a_100020590264_100000210326 [1,1,0,0,0,0|1,1,0]=4 6344 B9R0.45 CCCCCOCCC#N 7a_100000210253_100000184422 [1,1,0,0,0,0|1,0,1]=4 6345 B9R0.45 CCCCCOCCCBr 34a_100011217188_100000718602 [1,1,0,0,0,0|1,0,0]=3 6346 B9R0.45 CCCCCOCCCC 34a_100000210227_100000718602 [1,1,0,0,0,0|1,0,0]=3 6347 B9R0.45 CCCCCOCCCC 34a_100000210253_100000210210 [1,1,0,0,0,0|1,0,0]=3 6348 B9R0.45 CCCCCOCCCC 7a_100000210227_100000210326 [1,1,0,0,0,0|1,0,0]=3 6349 B9R0.45 CCCCCOCCCC 7a_100000210253_100000210211 [1,1,0,0,0,0|1,0,0]=3 6350 B9R0.45 CCCCCOCCCCl 34a_100000230001_100000718602 [1,1,0,0,0,0|1,0,0]=3 6351 B9R0.45 CCCCCOCCCF 34a_100000210253_100011934791 [1,1,0,0,0,0|1,0,0]=3 6352 B9R0.45 CCCCCOCCCF 34a_100000759539_100000718602 [1,1,0,0,0,0|1,0,0]=3 6353 B9R0.45 CCCCCOCCCF 7a_100000210253_100011934791 [1,1,0,0,0,0|1,0,0]=3 6354 B9R0.45 CCCCCOCCCN 34a_100000182051_100000718602 [1,1,0,0,0,0|1,0,0]=3 6355 B9R0.45 CCCCCOCCCO 34a_100000210253_100000230001 [1,1,0,0,0,0|0,0,0]=2 6356 B9R0.45 CCCCCOCCCO 7a_100000210253_100011215043 [1,1,0,0,0,0|0,0,0]=2 6357 B9R0.45 CCCCCOCCOC 34a_100000210237_100000718602 [1,1,0,0,0,0|1,0,0]=3 6358 B9R0.45 CCCCCOCCOC 34a_100000210253_100011201679 [1,1,0,0,0,0|1,0,0]=3 6359 B9R0.45 CCCCCOCCOC 34a_100011215259_200000210301 [1,1,0,0,0,0|1,0,0]=3 6360 B9R0.45 CCCCCOCCOC 7a_100000210253_100000233755 [1,1,0,0,0,0|1,0,0]=3 6361 B9R0.45 CCCCCOCCOC 7a_100011215259_200000210301 [1,1,0,0,0,0|1,0,0]=3 6362 B9R0.45 CCCCCOCCON 34a_100000700252_100000718602 [1,1,0,0,0,0|1,0,0]=3 6363 B9R0.45 CCCCCOCCO[13CH3] 34a_100011215259_200025704644 [1,1,0,0,0,0|1,0,0]=3 6364 B9R0.45 CCCCCOCCO[13CH3] 7a_100011215259_200025704644 [1,1,0,0,0,0|1,0,0]=3 6365 B9R0.45 CCCCCOCCSC 34a_100000210253_100000212216 [1,1,0,0,0,0|1,1,0]=4 6366 B9R0.45 CCCCCOCCSC 34a_100000230434_100000718602 [1,1,0,0,0,0|1,1,0]=4 6367 B9R0.45 CCCCCOCCSC 7a_100000210253_100000212216 [1,1,0,0,0,0|1,1,0]=4 6368 B9R0.45 CCCCCOCCSC 7a_100000230434_100000210326 [1,1,0,0,0,0|1,1,0]=4 6369 B9R0.45 CCCCCSCCC#N 62a_100000210326_100011215226 [1,1,0,0,0,0|1,0,1]=4 6370 B9R0.45 CCCCCSCCC#N 62a_100011215226_100000210326 [1,1,0,0,0,0|1,0,1]=4 6371 B9R0.45 CCCCCSCCCC 62a_100000210211_100000210326 [1,1,0,0,0,0|1,0,0]=3 6372 B9R0.45 CCCCCSCCCC 62a_100000210326_100000210210 [1,1,0,0,0,0|1,0,0]=3 6373 B9R0.45 CCCCCSCCCF 62a_100000210326_100011934791 [1,1,0,0,0,0|1,0,0]=3 6374 B9R0.45 CCCCCSCCCF 62a_100011934791_100000210326 [1,1,0,0,0,0|1,0,0]=3 6375 B9R0.45 CCCCCSCCCO 62a_100000210326_100011215043 [1,1,0,0,0,0|0,0,0]=2 6376 B9R0.45 CCCCCSCCCO 62a_100011215043_100000210326 [1,1,0,0,0,0|0,0,0]=2 6377 B9R0.45 CCCCCSCCOC 62a_100000210326_100000233755 [1,1,0,0,0,0|1,0,0]=3 6378 B9R0.45 CCCCCSCCOC 62a_100000233755_100000210326 [1,1,0,0,0,0|1,0,0]=3 6379 B9R0.45 CCCCCSCCSC 62a_100000210326_100000751147 [1,1,0,0,0,0|1,1,0]=4 6380 B9R0.45 CCCCCSCCSC 62a_100000212216_100000210326 [1,1,0,0,0,0|1,1,0]=4 6381 B9R0.45 CCCCCSCOCC 62a_100000210326_100000739092 [1,1,0,0,0,0|2,0,0]=4 6382 B9R0.45 CCCCCSCOCC 62a_100000739092_100000210326 [1,1,0,0,0,0|2,0,0]=4 6383 B9R0.45 CCCCNCC#CCO 2230a_100000102301_200000047223 [1,1,0,0,0,0|0,0,2]=4 6384 B9R0.45 CCCCNCC#CCO 7a_106832991798_200000047223 [1,1,0,0,0,0|0,0,2]=4 6385 B9R0.45 CCCCNCCCC#N 2230a_100000102301_100000687738 [1,1,0,0,0,0|1,0,1]=4 6386 B9R0.45 CCCCNCCCC#N 7a_106832991798_100000687738 [1,1,0,0,0,0|1,0,1]=4 6387 B9R0.45 CCCCNCCCC=O 2230a_100000102301_200011292268 [1,1,0,0,0,0|0,0,2]=4 6388 B9R0.45 CCCCNCCCC=O 7a_106832991798_200011292268 [1,1,0,0,0,0|0,0,2]=4 6389 B9R0.45 CCCCNCCCCF 2230a_100000102301_100000729493 [1,1,0,0,0,0|1,0,0]=3 6390 B9R0.45 CCCCNCCCCF 7a_106832991798_100000729493 [1,1,0,0,0,0|1,0,0]=3 6391 B9R0.45 CCCCNCCCCO 2230a_100000102301_100000210776 [1,1,0,0,0,0|0,0,0]=2 6392 B9R0.45 CCCCNCCCCO 2230a_100000750430_100000210211 [1,1,0,0,0,0|0,0,0]=2 6393 B9R0.45 CCCCNCCCCO 34a_100000750430_100000210210 [1,1,0,0,0,0|0,0,0]=2 6394 B9R0.45 CCCCNCCCCO 7a_106832991798_100000210776 [1,1,0,0,0,0|0,0,0]=2 6395 B9R0.45 CCCCNCCCOC 2230a_100000102301_100000740836 [1,1,0,0,0,0|1,0,0]=3 6396 B9R0.45 CCCCNCCCOC 34a_100150723488_100000210210 [1,1,0,0,0,0|1,0,0]=3 6397 B9R0.45 CCCCNCCCOC 7a_106832991798_100000740836 [1,1,0,0,0,0|1,0,0]=3 6398 B9R0.45 CCCCNCCCSC 2230a_100000749238_100000210211 [1,1,0,0,0,0|1,1,0]=4 6399 B9R0.45 CCCCNCCOCC 2230a_100000102301_100011215890 [1,1,0,0,0,0|2,0,0]=4 6400 B9R0.45 CCCCNCCOCC 2230a_102516460346_100000210211 [1,1,0,0,0,0|2,0,0]=4 6401 B9R0.45 CCCCNCCOCC 34a_102516460346_100000210210 [1,1,0,0,0,0|2,0,0]=4 6402 B9R0.45 CCCCNCCOCC 7a_106832991798_100011215890 [1,1,0,0,0,0|2,0,0]=4 6403 B9R0.45 CCCCNCCSCC 2230a_100000102301_100000757381 [1,1,0,0,0,0|2,0,0]=4 6404 B9R0.45 CCCCNCCSCC 2230a_100000106463_100000210211 [1,1,0,0,0,0|2,0,0]=4 6405 B9R0.45 CCCCNCCSCC 7a_106832991798_100000757381 [1,1,0,0,0,0|2,0,0]=4 6406 B9R0.45 CCCCOCC#CCO 34a_100000210227_200000047223 [1,1,0,0,0,0|0,0,2]=4 6407 B9R0.45 CCCCOCC#CCO 7a_100000210227_200000047223 [1,1,0,0,0,0|0,0,2]=4 6408 B9R0.45 CCCCOCCCC#N 7a_100000210227_100000687738 [1,1,0,0,0,0|1,0,1]=4 6409 B9R0.45 CCCCOCCCC=O 7a_100000210227_200011292268 [1,1,0,0,0,0|0,0,2]=4 6410 B9R0.45 CCCCOCCCCBr 34a_100011216708_100000210210 [1,1,0,0,0,0|1,0,0]=3 6411 B9R0.45 CCCCOCCCCCl 34a_100000210776_100000210210 [1,1,0,0,0,0|1,0,0]=3 6412 B9R0.45 CCCCOCCCCCl 7a_100000210776_100000210211 [1,1,0,0,0,0|1,0,0]=3 6413 B9R0.45 CCCCOCCCCF 34a_100000210227_100000729493 [1,1,0,0,0,0|1,0,0]=3 6414 B9R0.45 CCCCOCCCCF 34a_100011995726_100000210210 [1,1,0,0,0,0|1,0,0]=3 6415 B9R0.45 CCCCOCCCCF 7a_100000210227_100000729493 [1,1,0,0,0,0|1,0,0]=3 6416 B9R0.45 CCCCOCCCCF 7a_100011995726_100000210211 [1,1,0,0,0,0|1,0,0]=3 6417 B9R0.45 CCCCOCCCCI 34a_200012148704_100000210210 [1,1,0,0,0,0|1,0,0]=3 6418 B9R0.45 CCCCOCCCCN 34a_100000750430_100000210210 [1,1,0,0,0,0|1,0,0]=3 6419 B9R0.45 CCCCOCCCCO 34a_100000210227_100011216708 [1,1,0,0,0,0|0,0,0]=2 6420 B9R0.45 CCCCOCCCCO 7a_100000210227_100000210776 [1,1,0,0,0,0|0,0,0]=2 6421 B9R0.45 CCCCOCCCNC 2230a_200000211371_200000210301 [1,1,0,0,0,0|2,0,0]=4 6422 B9R0.45 CCCCOCCCNC 34a_100000213112_100000210210 [1,1,0,0,0,0|2,0,0]=4 6423 B9R0.45 CCCCOCCCNC 34a_200000211371_200000210301 [1,1,0,0,0,0|2,0,0]=4 6424 B9R0.45 CCCCOCCCN[13CH3] 2230a_200000211371_200025704644 [1,1,0,0,0,0|2,0,0]=4 6425 B9R0.45 CCCCOCCCN[13CH3] 34a_200000211371_200025704644 [1,1,0,0,0,0|2,0,0]=4 6426 B9R0.45 CCCCOCCCOC 34a_100000210227_100000740836 [1,1,0,0,0,0|1,0,0]=3 6427 B9R0.45 CCCCOCCCOC 34a_100000740835_100000210210 [1,1,0,0,0,0|1,0,0]=3 6428 B9R0.45 CCCCOCCCOC 34a_200011215613_200000210301 [1,1,0,0,0,0|1,0,0]=3 6429 B9R0.45 CCCCOCCCOC 7a_100000210227_100000740836 [1,1,0,0,0,0|1,0,0]=3 6430 B9R0.45 CCCCOCCCOC 7a_200011215613_200000210301 [1,1,0,0,0,0|1,0,0]=3 6431 B9R0.45 CCCCOCCCO[13CH3] 34a_200011215613_200025704644 [1,1,0,0,0,0|1,0,0]=3 6432 B9R0.45 CCCCOCCCO[13CH3] 7a_200011215613_200025704644 [1,1,0,0,0,0|1,0,0]=3 6433 B9R0.45 CCCCOCCCSC 34a_100000690336_100000210210 [1,1,0,0,0,0|1,1,0]=4 6434 B9R0.45 CCCCOCCCSC 7a_100000690336_100000210211 [1,1,0,0,0,0|1,1,0]=4 6435 B9R0.45 CCCCOCCNCC 2230a_100015525214_100000743108 [1,1,0,0,0,0|2,0,0]=4 6436 B9R0.45 CCCCOCCOCC 34a_100000210136_100000210210 [1,1,0,0,0,0|2,0,0]=4 6437 B9R0.45 CCCCOCCOCC 34a_100000210227_100000210147 [1,1,0,0,0,0|2,0,0]=4 6438 B9R0.45 CCCCOCCOCC 34a_100000210238_100000210202 [1,1,0,0,0,0|2,0,0]=4 6439 B9R0.45 CCCCOCCOCC 34a_100121572206_100000743108 [1,1,0,0,0,0|2,0,0]=4 6440 B9R0.45 CCCCOCCOCC 7a_100000210136_100000210211 [1,1,0,0,0,0|2,0,0]=4 6441 B9R0.45 CCCCOCCOCC 7a_100000210227_100011215890 [1,1,0,0,0,0|2,0,0]=4 6442 B9R0.45 CCCCOCCOCC 7a_100000210238_100000210202 [1,1,0,0,0,0|2,0,0]=4 6443 B9R0.45 CCCCOCCOCF 34a_100000210238_100015361967 [1,1,0,0,0,0|2,0,0]=4 6444 B9R0.45 CCCCOCCOCF 7a_100000210238_100015361967 [1,1,0,0,0,0|2,0,0]=4 6445 B9R0.45 CCCCOCCSCC 34a_100000210227_100000757381 [1,1,0,0,0,0|2,0,0]=4 6446 B9R0.45 CCCCOCCSCC 34a_100000212035_100000210210 [1,1,0,0,0,0|2,0,0]=4 6447 B9R0.45 CCCCOCCSCC 62a_100000210202_100000743108 [1,1,0,0,0,0|2,0,0]=4 6448 B9R0.45 CCCCOCCSCC 62a_100000743108_100000210202 [1,1,0,0,0,0|2,0,0]=4 6449 B9R0.45 CCCCOCCSCC 7a_100000210227_100000757381 [1,1,0,0,0,0|2,0,0]=4 6450 B9R0.45 CCCCOCCSCC 7a_100000212035_100000210211 [1,1,0,0,0,0|2,0,0]=4 6451 B9R0.45 CCCCOCCSCF 62a_100000743108_100015361967 [1,1,0,0,0,0|2,0,0]=4 6452 B9R0.45 CCCCOCCSCF 62a_100015361967_100000743108 [1,1,0,0,0,0|2,0,0]=4 6453 B9R0.45 CCCCOCNCCF 34a_100000724931_100011995733 [1,1,0,0,0,0|2,0,0]=4 6454 B9R0.45 CCCCOCNCCO 2230a_100016997473_100011995733 [1,1,0,0,0,0|1,0,0]=3 6455 B9R0.45 CCCCOCNCCO 34a_100016990907_100011995733 [1,1,0,0,0,0|1,0,0]=3 6456 B9R0.45 CCCCOCOCCBr 34a_100000211926_100011995733 [1,1,0,0,0,0|2,0,0]=4 6457 B9R0.45 CCCCOCOCCC 34a_100000210258_100011995733 [1,1,0,0,0,0|2,0,0]=4 6458 B9R0.45 CCCCOCOCCN 34a_100000210304_100011995733 [1,1,0,0,0,0|2,0,0]=4 6459 B9R0.45 CCCCOCSCCC 62a_100000210303_100011995733 [1,1,0,0,0,0|2,0,0]=4 6460 B9R0.45 CCCCOCSCCC 62a_100011995733_100000210303 [1,1,0,0,0,0|2,0,0]=4 6461 B9R0.45 CCCCOCSCCF 62a_100011217306_100011995733 [1,1,0,0,0,0|2,0,0]=4 6462 B9R0.45 CCCCOCSCCF 62a_100011995733_100011217306 [1,1,0,0,0,0|2,0,0]=4 6463 B9R0.45 CCCCOCSCCO 62a_100000211926_100011995733 [1,1,0,0,0,0|1,0,0]=3 6464 B9R0.45 CCCCOCSCCO 62a_100011995733_100000211926 [1,1,0,0,0,0|1,0,0]=3 6465 B9R0.45 CCCCOCSCOC 62a_100000766300_100011995733 [1,1,0,0,0,0|2,0,0]=4 6466 B9R0.45 CCCCOCSCOC 62a_100011995733_100000766300 [1,1,0,0,0,0|2,0,0]=4 6467 B9R0.45 CCCCSCC#CCO 62a_100000210211_200000047223 [1,1,0,0,0,0|0,0,2]=4 6468 B9R0.45 CCCCSCC#CCO 62a_200000047223_100000210210 [1,1,0,0,0,0|0,0,2]=4 6469 B9R0.45 CCCCSCCCC#N 62a_100000210211_100000687738 [1,1,0,0,0,0|1,0,1]=4 6470 B9R0.45 CCCCSCCCC#N 62a_100000687738_100000210210 [1,1,0,0,0,0|1,0,1]=4 6471 B9R0.45 CCCCSCCCC=O 62a_100000210211_200011292268 [1,1,0,0,0,0|0,0,2]=4 6472 B9R0.45 CCCCSCCCC=O 62a_200011292268_100000210210 [1,1,0,0,0,0|0,0,2]=4 6473 B9R0.45 CCCCSCCCCF 62a_100000210211_100000729493 [1,1,0,0,0,0|1,0,0]=3 6474 B9R0.45 CCCCSCCCCF 62a_100000729493_100000210210 [1,1,0,0,0,0|1,0,0]=3 6475 B9R0.45 CCCCSCCCCO 62a_100000210211_100000210776 [1,1,0,0,0,0|0,0,0]=2 6476 B9R0.45 CCCCSCCCCO 62a_100000210776_100000210210 [1,1,0,0,0,0|0,0,0]=2 6477 B9R0.45 CCCCSCCCOC 62a_100000210211_100000709357 [1,1,0,0,0,0|1,0,0]=3 6478 B9R0.45 CCCCSCCCOC 62a_100000709357_100000210210 [1,1,0,0,0,0|1,0,0]=3 6479 B9R0.45 CCCCSCCNCC 2230a_100025743550_100000210202 [1,1,0,0,0,0|2,0,0]=4 6480 B9R0.45 CCCCSCCOCC 34a_200000230436_100000210202 [1,1,0,0,0,0|2,0,0]=4 6481 B9R0.45 CCCCSCCOCC 62a_100000210147_100000210210 [1,1,0,0,0,0|2,0,0]=4 6482 B9R0.45 CCCCSCCOCC 62a_100000210211_100011215890 [1,1,0,0,0,0|2,0,0]=4 6483 B9R0.45 CCCCSCCOCC 7a_200000230436_100000210202 [1,1,0,0,0,0|2,0,0]=4 6484 B9R0.45 CCCCSCCOCF 34a_200000230436_100015361967 [1,1,0,0,0,0|2,0,0]=4 6485 B9R0.45 CCCCSCCOCF 7a_200000230436_100015361967 [1,1,0,0,0,0|2,0,0]=4 6486 B9R0.45 CCCCSCCSCC 62a_100000210211_100000757381 [1,1,0,0,0,0|2,0,0]=4 6487 B9R0.45 CCCCSCCSCC 62a_100000757381_100000210210 [1,1,0,0,0,0|2,0,0]=4 6488 B9R0.45 CCCNCCCCCO 2230a_100000762737_100000210303 [1,1,0,0,0,0|0,0,0]=2 6489 B9R0.45 CCCNCCCCCO 34a_100000762737_100000210303 [1,1,0,0,0,0|0,0,0]=2 6490 B9R0.45 CCCNCCCOCC 2230a_100000210961_100000210303 [1,1,0,0,0,0|2,0,0]=4 6491 B9R0.45 CCCNCCCOCC 34a_100000210961_100000210303 [1,1,0,0,0,0|2,0,0]=4 6492 B9R0.45 CCCNCCOCCC 2230a_100161115042_100000210303 [1,1,0,0,0,0|2,0,0]=4 6493 B9R0.45 CCCNCCOCCC 34a_100161115042_100000210303 [1,1,0,0,0,0|2,0,0]=4 6494 B9R0.45 CCCNCCOCCO 2230a_100000211614_100000210303 [1,1,0,0,0,0|1,0,0]=3 6495 B9R0.45 CCCNCCOCCO 34a_100000211614_100000210303 [1,1,0,0,0,0|1,0,0]=3 6496 B9R0.45 CCCNCCSCCC 2230a_100020603323_100000210303 [1,1,0,0,0,0|2,0,0]=4 6497 B9R0.45 CCCNCCSCCO 2230a_100011219999_100000210303 [1,1,0,0,0,0|1,0,0]=3 6498 B9R0.45 CCCOCCCCCBr 34a_100000746331_100000210303 [1,1,0,0,0,0|1,0,0]=3 6499 B9R0.45 CCCOCCCCCBr 7a_100000746331_100000210303 [1,1,0,0,0,0|1,0,0]=3 6500 B9R0.45 CCCOCCCCCCl 34a_100000746330_100000210303 [1,1,0,0,0,0|1,0,0]=3 6501 B9R0.45 CCCOCCCCCCl 7a_100000746330_100000210303 [1,1,0,0,0,0|1,0,0]=3 6502 B9R0.45 CCCOCCCCCF 34a_100000210258_100000729378 [1,1,0,0,0,0|1,0,0]=3 6503 B9R0.45 CCCOCCCCCI 34a_200012148887_100000210303 [1,1,0,0,0,0|1,0,0]=3 6504 B9R0.45 CCCOCCCCCI 7a_200012148887_100000210303 [1,1,0,0,0,0|1,0,0]=3 6505 B9R0.45 CCCOCCCCCN 34a_100000762737_100000210303 [1,1,0,0,0,0|1,0,0]=3 6506 B9R0.45 CCCOCCCCCO 34a_100000210258_100000746330 [1,1,0,0,0,0|0,0,0]=2 6507 B9R0.45 CCCOCCCCOC 34a_100000210258_100000755781 [1,1,0,0,0,0|1,0,0]=3 6508 B9R0.45 CCCOCCCCOC 34a_100000740925_100000210303 [1,1,0,0,0,0|1,0,0]=3 6509 B9R0.45 CCCOCCCCSC 34a_100011217163_100000210303 [1,1,0,0,0,0|1,1,0]=4 6510 B9R0.45 CCCOCCCCSC 7a_100011217163_100000210303 [1,1,0,0,0,0|1,1,0]=4 6511 B9R0.45 CCCOCCCNCC 2230a_100011217757_100000210202 [1,1,0,0,0,0|2,0,0]=4 6512 B9R0.45 CCCOCCCNCC 34a_100011217757_100000210202 [1,1,0,0,0,0|2,0,0]=4 6513 B9R0.45 CCCOCCCNCF 34a_100011217757_100015361967 [1,1,0,0,0,0|2,0,0]=4 6514 B9R0.45 CCCOCCCOCC 34a_100000210258_100012232248 [1,1,0,0,0,0|2,0,0]=4 6515 B9R0.45 CCCOCCCOCC 34a_100000757476_100000210303 [1,1,0,0,0,0|2,0,0]=4 6516 B9R0.45 CCCOCCCOCC 7a_100000757476_100000210303 [1,1,0,0,0,0|2,0,0]=4 6517 B9R0.45 CCCOCCCSCC 34a_100011216438_100000210303 [1,1,0,0,0,0|2,0,0]=4 6518 B9R0.45 CCCOCCCSCC 7a_100011216438_100000210303 [1,1,0,0,0,0|2,0,0]=4 6519 B9R0.45 CCCOCCNCCF 2230a_100161115042_100011217306 [1,1,0,0,0,0|2,0,0]=4 6520 B9R0.45 CCCOCCNCCF 34a_100000724931_100011215938 [1,1,0,0,0,0|2,0,0]=4 6521 B9R0.45 CCCOCCNCCF 34a_100161115042_100011217306 [1,1,0,0,0,0|2,0,0]=4 6522 B9R0.45 CCCOCCNCCO 2230a_100016997473_100011215938 [1,1,0,0,0,0|1,0,0]=3 6523 B9R0.45 CCCOCCNCCO 2230a_100161115042_100000211926 [1,1,0,0,0,0|1,0,0]=3 6524 B9R0.45 CCCOCCNCCO 34a_100016990907_100011215938 [1,1,0,0,0,0|1,0,0]=3 6525 B9R0.45 CCCOCCNCCO 34a_100161115042_100000211926 [1,1,0,0,0,0|1,0,0]=3 6526 B9R0.45 CCCOCCNCOC 2230a_100161115042_100000766300 [1,1,0,0,0,0|2,0,0]=4 6527 B9R0.45 CCCOCCOCCBr 34a_100000211926_100011215938 [1,1,0,0,0,0|2,0,0]=4 6528 B9R0.45 CCCOCCOCCBr 34a_100000692535_100000210303 [1,1,0,0,0,0|2,0,0]=4 6529 B9R0.45 CCCOCCOCCBr 7a_100000692535_100000210303 [1,1,0,0,0,0|2,0,0]=4 6530 B9R0.45 CCCOCCOCCC 34a_100000210258_100011215938 [1,1,0,0,0,0|2,0,0]=4 6531 B9R0.45 CCCOCCOCCC 34a_100000752267_100000210303 [1,1,0,0,0,0|2,0,0]=4 6532 B9R0.45 CCCOCCOCCC 7a_100000752267_100000210303 [1,1,0,0,0,0|2,0,0]=4 6533 B9R0.45 CCCOCCOCCCl 34a_100011215305_100000210303 [1,1,0,0,0,0|2,0,0]=4 6534 B9R0.45 CCCOCCOCCCl 7a_100011215305_100000210303 [1,1,0,0,0,0|2,0,0]=4 6535 B9R0.45 CCCOCCOCCF 34a_100000752267_100011217306 [1,1,0,0,0,0|2,0,0]=4 6536 B9R0.45 CCCOCCOCCF 34a_200015357709_100000210303 [1,1,0,0,0,0|2,0,0]=4 6537 B9R0.45 CCCOCCOCCF 7a_100000752267_100011217306 [1,1,0,0,0,0|2,0,0]=4 6538 B9R0.45 CCCOCCOCCF 7a_200015357709_100000210303 [1,1,0,0,0,0|2,0,0]=4 6539 B9R0.45 CCCOCCOCCI 34a_100012149058_100000210303 [1,1,0,0,0,0|2,0,0]=4 6540 B9R0.45 CCCOCCOCCI 7a_100012149058_100000210303 [1,1,0,0,0,0|2,0,0]=4 6541 B9R0.45 CCCOCCOCCN 34a_100000210304_100011215938 [1,1,0,0,0,0|2,0,0]=4 6542 B9R0.45 CCCOCCOCCN 34a_100000211614_100000210303 [1,1,0,0,0,0|2,0,0]=4 6543 B9R0.45 CCCOCCOCCO 34a_100000210258_100000692535 [1,1,0,0,0,0|1,0,0]=3 6544 B9R0.45 CCCOCCOCCO 34a_100000752267_100000211926 [1,1,0,0,0,0|1,0,0]=3 6545 B9R0.45 CCCOCCOCCO 7a_100000752267_100000211926 [1,1,0,0,0,0|1,0,0]=3 6546 B9R0.45 CCCOCCSCCC 34a_200000230433_100000210303 [1,1,0,0,0,0|2,0,0]=4 6547 B9R0.45 CCCOCCSCCC 62a_100000210303_100011215938 [1,1,0,0,0,0|2,0,0]=4 6548 B9R0.45 CCCOCCSCCC 62a_100011215938_100000210303 [1,1,0,0,0,0|2,0,0]=4 6549 B9R0.45 CCCOCCSCCC 7a_200000230433_100000210303 [1,1,0,0,0,0|2,0,0]=4 6550 B9R0.45 CCCOCCSCCF 62a_100011215938_100011217306 [1,1,0,0,0,0|2,0,0]=4 6551 B9R0.45 CCCOCCSCCF 62a_100011217306_100011215938 [1,1,0,0,0,0|2,0,0]=4 6552 B9R0.45 CCCOCCSCCO 62a_100000211926_100011215938 [1,1,0,0,0,0|1,0,0]=3 6553 B9R0.45 CCCOCCSCCO 62a_100011215938_100000211926 [1,1,0,0,0,0|1,0,0]=3 6554 B9R0.45 CCCOCCSCOC 62a_100000766300_100011215938 [1,1,0,0,0,0|2,0,0]=4 6555 B9R0.45 CCCOCCSCOC 62a_100011215938_100000766300 [1,1,0,0,0,0|2,0,0]=4 6556 B9R0.45 CCCSCCCCC#N 62a_100000210303_100000211819 [1,1,0,0,0,0|1,0,1]=4 6557 B9R0.45 CCCSCCCCC#N 62a_100011219923_100000210303 [1,1,0,0,0,0|1,0,1]=4 6558 B9R0.45 CCCSCCCCC=O 62a_100000139335_100000210303 [1,1,0,0,0,0|0,0,2]=4 6559 B9R0.45 CCCSCCCCC=O 62a_100000210303_100000139335 [1,1,0,0,0,0|0,0,2]=4 6560 B9R0.45 CCCSCCCCCF 62a_100000210303_100000729378 [1,1,0,0,0,0|1,0,0]=3 6561 B9R0.45 CCCSCCCCCF 62a_100000729378_100000210303 [1,1,0,0,0,0|1,0,0]=3 6562 B9R0.45 CCCSCCCCCO 62a_100000210303_100000746330 [1,1,0,0,0,0|0,0,0]=2 6563 B9R0.45 CCCSCCCCCO 62a_100000746330_100000210303 [1,1,0,0,0,0|0,0,0]=2 6564 B9R0.45 CCCSCCCCOC 62a_100000210303_100000730899 [1,1,0,0,0,0|1,0,0]=3 6565 B9R0.45 CCCSCCCCOC 62a_100000730899_100000210303 [1,1,0,0,0,0|1,0,0]=3 6566 B9R0.45 CCCSCCCOCC 62a_100000210303_100012232248 [1,1,0,0,0,0|2,0,0]=4 6567 B9R0.45 CCCSCCCOCC 62a_100012232248_100000210303 [1,1,0,0,0,0|2,0,0]=4 6568 B9R0.45 CCCSCCNCCF 2230a_100020603323_100011217306 [1,1,0,0,0,0|2,0,0]=4 6569 B9R0.45 CCCSCCNCCO 2230a_100020603323_100000211926 [1,1,0,0,0,0|1,0,0]=3 6570 B9R0.45 CCCSCCNCOC 2230a_100020603323_100000766300 [1,1,0,0,0,0|2,0,0]=4 6571 B9R0.45 CCCSCCOCCF 34a_200000230433_100011217306 [1,1,0,0,0,0|2,0,0]=4 6572 B9R0.45 CCCSCCOCCF 7a_200000230433_100011217306 [1,1,0,0,0,0|2,0,0]=4 6573 B9R0.45 CCCSCCOCCO 34a_200000230433_100000211926 [1,1,0,0,0,0|1,0,0]=3 6574 B9R0.45 CCCSCCOCCO 62a_100000210303_100011215305 [1,1,0,0,0,0|1,0,0]=3 6575 B9R0.45 CCCSCCOCCO 62a_100011215305_100000210303 [1,1,0,0,0,0|1,0,0]=3 6576 B9R0.45 CCCSCCOCCO 7a_200000230433_100000211926 [1,1,0,0,0,0|1,0,0]=3 6577 B9R0.45 CCCSCOCCOC 62a_100000210303_100000231047 [1,1,0,0,0,0|2,0,0]=4 6578 B9R0.45 CCCSCOCCOC 62a_100000231047_100000210303 [1,1,0,0,0,0|2,0,0]=4 6579 B9R0.45 CCNCCCCCC#N 2230a_100015525214_100009813376 [1,1,0,0,0,0|1,0,1]=4 6580 B9R0.45 CCNCCCCCC=O 2230a_100015525214_100000139337 [1,1,0,0,0,0|0,0,2]=4 6581 B9R0.45 CCNCCCCCCF 2230a_100015525214_100015922095 [1,1,0,0,0,0|1,0,0]=3 6582 B9R0.45 CCNCCCCCCO 2230a_100000686447_100000210202 [1,1,0,0,0,0|0,0,0]=2 6583 B9R0.45 CCNCCCCCCO 2230a_100015525214_100000766143 [1,1,0,0,0,0|0,0,0]=2 6584 B9R0.45 CCNCCCCCCO 34a_100000686447_100000210202 [1,1,0,0,0,0|0,0,0]=2 6585 B9R0.45 CCNCCCCCOC 2230a_100000747528_100000210202 [1,1,0,0,0,0|1,0,0]=3 6586 B9R0.45 CCNCCCCCOC 34a_100000747528_100000210202 [1,1,0,0,0,0|1,0,0]=3 6587 B9R0.45 CCNCCOCCOC 2230a_100000745349_100000210202 [1,1,0,0,0,0|2,0,0]=4 6588 B9R0.45 CCNCCOCCOC 2230a_100015525214_100000695917 [1,1,0,0,0,0|2,0,0]=4 6589 B9R0.45 CCNCCOCCOC 34a_100000745349_100000210202 [1,1,0,0,0,0|2,0,0]=4 6590 B9R0.45 CCNN=CCCCCO 4a_100000756455_100000031955 [1,1,0,0,0,0|1,0,1]=4 6591 B9R0.45 CCOCCCCCCBr 34a_100011215345_100000210202 [1,1,0,0,0,0|1,0,0]=3 6592 B9R0.45 CCOCCCCCCBr 7a_100011215345_100000210202 [1,1,0,0,0,0|1,0,0]=3 6593 B9R0.45 CCOCCCCCCCl 34a_100000766143_100000210202 [1,1,0,0,0,0|1,0,0]=3 6594 B9R0.45 CCOCCCCCCCl 7a_100000766143_100000210202 [1,1,0,0,0,0|1,0,0]=3 6595 B9R0.45 CCOCCCCCCF 34a_100000732779_100000210202 [1,1,0,0,0,0|1,0,0]=3 6596 B9R0.45 CCOCCCCCCF 34a_100121572206_100015922095 [1,1,0,0,0,0|1,0,0]=3 6597 B9R0.45 CCOCCCCCCF 7a_100000732779_100000210202 [1,1,0,0,0,0|1,0,0]=3 6598 B9R0.45 CCOCCCCCCN 34a_100000686447_100000210202 [1,1,0,0,0,0|1,0,0]=3 6599 B9R0.45 CCOCCCCCCO 34a_100121572206_100000766143 [1,1,0,0,0,0|0,0,0]=2 6600 B9R0.45 CCOCCCCCNC 34a_100000722520_100000210202 [1,1,0,0,0,0|2,0,0]=4 6601 B9R0.45 CCOCCCNCCF 2230a_100000210961_100011217306 [1,1,0,0,0,0|2,0,0]=4 6602 B9R0.45 CCOCCCNCCF 34a_100000210961_100011217306 [1,1,0,0,0,0|2,0,0]=4 6603 B9R0.45 CCOCCCNCCF 34a_100000724931_100012232248 [1,1,0,0,0,0|2,0,0]=4 6604 B9R0.45 CCOCCCNCCO 2230a_100000210961_100000211926 [1,1,0,0,0,0|1,0,0]=3 6605 B9R0.45 CCOCCCNCCO 2230a_100016997473_100012232248 [1,1,0,0,0,0|1,0,0]=3 6606 B9R0.45 CCOCCCNCCO 34a_100000210961_100000211926 [1,1,0,0,0,0|1,0,0]=3 6607 B9R0.45 CCOCCCNCCO 34a_100016990907_100012232248 [1,1,0,0,0,0|1,0,0]=3 6608 B9R0.45 CCOCCCNCOC 2230a_100000210961_100000766300 [1,1,0,0,0,0|2,0,0]=4 6609 B9R0.45 CCOCCCOCCBr 34a_100000211926_100012232248 [1,1,0,0,0,0|2,0,0]=4 6610 B9R0.45 CCOCCCOCCF 34a_100000757476_100011217306 [1,1,0,0,0,0|2,0,0]=4 6611 B9R0.45 CCOCCCOCCF 7a_100000757476_100011217306 [1,1,0,0,0,0|2,0,0]=4 6612 B9R0.45 CCOCCCOCCN 34a_100000210304_100012232248 [1,1,0,0,0,0|2,0,0]=4 6613 B9R0.45 CCOCCCOCCO 34a_100000757476_100000211926 [1,1,0,0,0,0|1,0,0]=3 6614 B9R0.45 CCOCCCOCCO 7a_100000757476_100000211926 [1,1,0,0,0,0|1,0,0]=3 6615 B9R0.45 CCOCCCSCCF 62a_100011217306_100012232248 [1,1,0,0,0,0|2,0,0]=4 6616 B9R0.45 CCOCCCSCCF 62a_100012232248_100011217306 [1,1,0,0,0,0|2,0,0]=4 6617 B9R0.45 CCOCCCSCCO 62a_100000211926_100012232248 [1,1,0,0,0,0|1,0,0]=3 6618 B9R0.45 CCOCCCSCCO 62a_100012232248_100000211926 [1,1,0,0,0,0|1,0,0]=3 6619 B9R0.45 CCOCCCSCOC 62a_100000766300_100012232248 [1,1,0,0,0,0|2,0,0]=4 6620 B9R0.45 CCOCCCSCOC 62a_100012232248_100000766300 [1,1,0,0,0,0|2,0,0]=4 6621 B9R0.45 CCOCCNCCCF 2230a_100015189416_100011215890 [1,1,0,0,0,0|2,0,0]=4 6622 B9R0.45 CCOCCNCCCF 2230a_102516460346_100011934791 [1,1,0,0,0,0|2,0,0]=4 6623 B9R0.45 CCOCCNCCCF 34a_100015189416_100000210147 [1,1,0,0,0,0|2,0,0]=4 6624 B9R0.45 CCOCCNCCCF 34a_102516460346_100011934791 [1,1,0,0,0,0|2,0,0]=4 6625 B9R0.45 CCOCCNCCCO 2230a_102516460346_100000230001 [1,1,0,0,0,0|1,0,0]=3 6626 B9R0.45 CCOCCNCCCO 34a_102516460346_100000230001 [1,1,0,0,0,0|1,0,0]=3 6627 B9R0.45 CCOCCNCCOC 2230a_100000209980_100011215890 [1,1,0,0,0,0|2,0,0]=4 6628 B9R0.45 CCOCCNCCOC 2230a_102516460346_100011201679 [1,1,0,0,0,0|2,0,0]=4 6629 B9R0.45 CCOCCNCCOC 34a_102516460346_100011201679 [1,1,0,0,0,0|2,0,0]=4 6630 B9R0.45 CCOCCOCCCBr 34a_100011217188_100000210147 [1,1,0,0,0,0|2,0,0]=4 6631 B9R0.45 CCOCCOCCCCl 34a_100000230001_100000210147 [1,1,0,0,0,0|2,0,0]=4 6632 B9R0.45 CCOCCOCCCF 34a_100000210136_100011934791 [1,1,0,0,0,0|2,0,0]=4 6633 B9R0.45 CCOCCOCCCF 34a_100000759539_100000210147 [1,1,0,0,0,0|2,0,0]=4 6634 B9R0.45 CCOCCOCCCF 7a_100000210136_100011934791 [1,1,0,0,0,0|2,0,0]=4 6635 B9R0.45 CCOCCOCCCN 34a_100000182051_100000210147 [1,1,0,0,0,0|2,0,0]=4 6636 B9R0.45 CCOCCOCCCO 34a_100000210136_100000230001 [1,1,0,0,0,0|1,0,0]=3 6637 B9R0.45 CCOCCOCCCO 7a_100000210136_100011215043 [1,1,0,0,0,0|1,0,0]=3 6638 B9R0.45 CCOCCOCCOC 34a_100000210136_100011201679 [1,1,0,0,0,0|2,0,0]=4 6639 B9R0.45 CCOCCOCCOC 34a_100000210237_100000210147 [1,1,0,0,0,0|2,0,0]=4 6640 B9R0.45 CCOCCOCCOC 34a_100000210240_200000210301 [1,1,0,0,0,0|2,0,0]=4 6641 B9R0.45 CCOCCOCCOC 34a_100011215163_100000210202 [1,1,0,0,0,0|2,0,0]=4 6642 B9R0.45 CCOCCOCCOC 34a_100121572206_100000695917 [1,1,0,0,0,0|2,0,0]=4 6643 B9R0.45 CCOCCOCCOC 34a_100138415774_100011211534 [1,1,0,0,0,0|2,0,0]=4 6644 B9R0.45 CCOCCOCCOC 7a_100000210136_100000233755 [1,1,0,0,0,0|2,0,0]=4 6645 B9R0.45 CCOCCOCCOC 7a_100000210240_200000210301 [1,1,0,0,0,0|2,0,0]=4 6646 B9R0.45 CCOCCOCCOC 7a_100011215163_100000210202 [1,1,0,0,0,0|2,0,0]=4 6647 B9R0.45 CCOCCOCCON 34a_100000700252_100000210147 [1,1,0,0,0,0|2,0,0]=4 6648 B9R0.45 CCOCCOCCO[13CH3] 34a_100000210240_200025704644 [1,1,0,0,0,0|2,0,0]=4 6649 B9R0.45 CCOCCOCCO[13CH3] 7a_100000210240_200025704644 [1,1,0,0,0,0|2,0,0]=4 6650 B9R0.45 CCOCCSCCCF 62a_100000210147_100011934791 [1,1,0,0,0,0|2,0,0]=4 6651 B9R0.45 CCOCCSCCCF 62a_100011934791_100011215890 [1,1,0,0,0,0|2,0,0]=4 6652 B9R0.45 CCOCCSCCCO 62a_100000210147_100011215043 [1,1,0,0,0,0|1,0,0]=3 6653 B9R0.45 CCOCCSCCCO 62a_100011215043_100011215890 [1,1,0,0,0,0|1,0,0]=3 6654 B9R0.45 CCOCCSCCOC 62a_100000210147_100000233755 [1,1,0,0,0,0|2,0,0]=4 6655 B9R0.45 CCOCCSCCOC 62a_100000233755_100011215890 [1,1,0,0,0,0|2,0,0]=4 6656 B9R0.45 CCOCSCCCCF 62a_100000729493_100000739092 [1,1,0,0,0,0|2,0,0]=4 6657 B9R0.45 CCOCSCCCCF 62a_100000739092_100000729493 [1,1,0,0,0,0|2,0,0]=4 6658 B9R0.45 CCOCSCCCCO 62a_100000210776_100000739092 [1,1,0,0,0,0|1,0,0]=3 6659 B9R0.45 CCOCSCCCCO 62a_100000739092_100000210776 [1,1,0,0,0,0|1,0,0]=3 6660 B9R0.45 CCOCSCCCOC 62a_100000709357_100000739092 [1,1,0,0,0,0|2,0,0]=4 6661 B9R0.45 CCOCSCCCOC 62a_100000739092_100000709357 [1,1,0,0,0,0|2,0,0]=4 6662 B9R0.45 CCSCCCCCC#N 62a_100000210202_100009813376 [1,1,0,0,0,0|1,0,1]=4 6663 B9R0.45 CCSCCCCCC#N 62a_100009813376_100000210202 [1,1,0,0,0,0|1,0,1]=4 6664 B9R0.45 CCSCCCCCC=O 62a_100000139337_100000210202 [1,1,0,0,0,0|0,0,2]=4 6665 B9R0.45 CCSCCCCCC=O 62a_100000210202_100000139337 [1,1,0,0,0,0|0,0,2]=4 6666 B9R0.45 CCSCCCCCCF 62a_100000210202_100015922095 [1,1,0,0,0,0|1,0,0]=3 6667 B9R0.45 CCSCCCCCCF 62a_100015922095_100000210202 [1,1,0,0,0,0|1,0,0]=3 6668 B9R0.45 CCSCCCCCCO 62a_100000210202_100000766143 [1,1,0,0,0,0|0,0,0]=2 6669 B9R0.45 CCSCCCCCCO 62a_100000766143_100000210202 [1,1,0,0,0,0|0,0,0]=2 6670 B9R0.45 CCSCCCOCCF 34a_100011216438_100011217306 [1,1,0,0,0,0|2,0,0]=4 6671 B9R0.45 CCSCCCOCCF 7a_100011216438_100011217306 [1,1,0,0,0,0|2,0,0]=4 6672 B9R0.45 CCSCCCOCCO 34a_100011216438_100000211926 [1,1,0,0,0,0|1,0,0]=3 6673 B9R0.45 CCSCCCOCCO 7a_100011216438_100000211926 [1,1,0,0,0,0|1,0,0]=3 6674 B9R0.45 CCSCCNCCCF 2230a_100000106463_100011934791 [1,1,0,0,0,0|2,0,0]=4 6675 B9R0.45 CCSCCNCCCF 2230a_100015189416_100000757381 [1,1,0,0,0,0|2,0,0]=4 6676 B9R0.45 CCSCCNCCCF 34a_100015189416_100000757381 [1,1,0,0,0,0|2,0,0]=4 6677 B9R0.45 CCSCCNCCCO 2230a_100000106463_100000230001 [1,1,0,0,0,0|1,0,0]=3 6678 B9R0.45 CCSCCNCCOC 2230a_100000106463_100011201679 [1,1,0,0,0,0|2,0,0]=4 6679 B9R0.45 CCSCCNCCOC 2230a_100000209980_100000757381 [1,1,0,0,0,0|2,0,0]=4 6680 B9R0.45 CCSCCOCCCBr 34a_100011217188_100000757381 [1,1,0,0,0,0|2,0,0]=4 6681 B9R0.45 CCSCCOCCCCl 34a_100000230001_100000757381 [1,1,0,0,0,0|2,0,0]=4 6682 B9R0.45 CCSCCOCCCF 34a_100000212035_100011934791 [1,1,0,0,0,0|2,0,0]=4 6683 B9R0.45 CCSCCOCCCF 34a_100000759539_100000757381 [1,1,0,0,0,0|2,0,0]=4 6684 B9R0.45 CCSCCOCCCF 7a_100000212035_100011934791 [1,1,0,0,0,0|2,0,0]=4 6685 B9R0.45 CCSCCOCCCN 34a_100000182051_100000757381 [1,1,0,0,0,0|2,0,0]=4 6686 B9R0.45 CCSCCOCCCO 34a_100000212035_100000230001 [1,1,0,0,0,0|1,0,0]=3 6687 B9R0.45 CCSCCOCCCO 7a_100000212035_100011215043 [1,1,0,0,0,0|1,0,0]=3 6688 B9R0.45 CCSCCOCCOC 34a_100000210237_100000757381 [1,1,0,0,0,0|2,0,0]=4 6689 B9R0.45 CCSCCOCCOC 34a_100000212035_100011201679 [1,1,0,0,0,0|2,0,0]=4 6690 B9R0.45 CCSCCOCCOC 62a_100000210202_100000695917 [1,1,0,0,0,0|2,0,0]=4 6691 B9R0.45 CCSCCOCCOC 62a_100000695917_100000210202 [1,1,0,0,0,0|2,0,0]=4 6692 B9R0.45 CCSCCOCCOC 7a_100000212035_100000233755 [1,1,0,0,0,0|2,0,0]=4 6693 B9R0.45 CCSCCOCCON 34a_100000700252_100000757381 [1,1,0,0,0,0|2,0,0]=4 6694 B9R0.45 CCSCCSCCCF 62a_100000757381_100011934791 [1,1,0,0,0,0|2,0,0]=4 6695 B9R0.45 CCSCCSCCCF 62a_100011934791_100000757381 [1,1,0,0,0,0|2,0,0]=4 6696 B9R0.45 CCSCCSCCCO 62a_100000757381_100011215043 [1,1,0,0,0,0|1,0,0]=3 6697 B9R0.45 CCSCCSCCCO 62a_100011215043_100000757381 [1,1,0,0,0,0|1,0,0]=3 6698 B9R0.45 CCSCCSCCOC 62a_100000233755_100000757381 [1,1,0,0,0,0|2,0,0]=4 6699 B9R0.45 CCSCCSCCOC 62a_100000757381_100000233755 [1,1,0,0,0,0|2,0,0]=4 6700 B9R0.45 CNCCCCCCC#N 2230a_106832991635_100009813337 [1,1,0,0,0,0|1,0,1]=4 6701 B9R0.45 CNCCCCCCC#N 7a_106832991635_100009813337 [1,1,0,0,0,0|1,0,1]=4 6702 B9R0.45 CNCCCCCCCO 2230a_100011996573_200000210301 [1,1,0,0,0,0|0,0,0]=2 6703 B9R0.45 CNCCCCCCCO 2230a_106832991635_100000760002 [1,1,0,0,0,0|0,0,0]=2 6704 B9R0.45 CNCCCCCCCO 34a_100011996573_200000210301 [1,1,0,0,0,0|0,0,0]=2 6705 B9R0.45 CNCCCCCCCO 34a_100102657272_100000760002 [1,1,0,0,0,0|0,0,0]=2 6706 B9R0.45 CNCCCCCCCO 7a_106832991635_100000760002 [1,1,0,0,0,0|0,0,0]=2 6707 B9R0.45 CNCCCCCCOC 2230a_106832991635_100011998445 [1,1,0,0,0,0|1,0,0]=3 6708 B9R0.45 CNCCCCCCOC 34a_100102657272_100011998445 [1,1,0,0,0,0|1,0,0]=3 6709 B9R0.45 CNCCCCCCOC 7a_106832991635_100011998445 [1,1,0,0,0,0|1,0,0]=3 6710 B9R0.45 CNCCCCCOCF 34a_100000722520_100015361967 [1,1,0,0,0,0|2,0,0]=4 6711 B9R0.45 CNCCCOCCCF 34a_100000213112_100011934791 [1,1,0,0,0,0|2,0,0]=4 6712 B9R0.45 CNCCCOCCCO 2230a_100011310245_200000210301 [1,1,0,0,0,0|1,0,0]=3 6713 B9R0.45 CNCCCOCCCO 34a_100000213112_100000230001 [1,1,0,0,0,0|1,0,0]=3 6714 B9R0.45 CNCCCOCCCO 34a_100011310245_200000210301 [1,1,0,0,0,0|1,0,0]=3 6715 B9R0.45 CNCCCOCCOC 2230a_100000206027_200000210301 [1,1,0,0,0,0|2,0,0]=4 6716 B9R0.45 CNCCCOCCOC 2230a_106832991635_100011216529 [1,1,0,0,0,0|2,0,0]=4 6717 B9R0.45 CNCCCOCCOC 34a_100000206027_200000210301 [1,1,0,0,0,0|2,0,0]=4 6718 B9R0.45 CNCCCOCCOC 34a_100000213112_100011201679 [1,1,0,0,0,0|2,0,0]=4 6719 B9R0.45 CNCCCOCCOC 34a_100102657272_100011216529 [1,1,0,0,0,0|2,0,0]=4 6720 B9R0.45 CNCCCOCCOC 7a_106832991635_100011216529 [1,1,0,0,0,0|2,0,0]=4 6721 B9R0.45 COCCCCCCCBr 34a_100000760002_200000210301 [1,1,0,0,0,0|1,0,0]=3 6722 B9R0.45 COCCCCCCCBr 7a_100000760002_200000210301 [1,1,0,0,0,0|1,0,0]=3 6723 B9R0.45 COCCCCCCCN 34a_100011996573_200000210301 [1,1,0,0,0,0|1,0,0]=3 6724 B9R0.45 COCCCCCCCO 34a_100138415774_100000760002 [1,1,0,0,0,0|0,0,0]=2 6725 B9R0.45 COCCCCCCOC 34a_100138415774_100011998445 [1,1,0,0,0,0|1,0,0]=3 6726 B9R0.45 COCCCCCCOC 34a_200012092642_200000210301 [1,1,0,0,0,0|1,0,0]=3 6727 B9R0.45 COCCCCCCOC 7a_200012092642_200000210301 [1,1,0,0,0,0|1,0,0]=3 6728 B9R0.45 COCCCCCCO[13CH3] 34a_200012092642_200025704644 [1,1,0,0,0,0|1,0,0]=3 6729 B9R0.45 COCCCCCCO[13CH3] 7a_200012092642_200025704644 [1,1,0,0,0,0|1,0,0]=3 6730 B9R0.45 COCCCCCCSC 62a_100011998445_200000210301 [1,1,0,0,0,0|1,0,0]=3 6731 B9R0.45 COCCCCCCSC 62a_200000210301_100011998445 [1,1,0,0,0,0|1,0,0]=3 6732 B9R0.45 COCCCCCCS[13CH3] 62a_100011998445_200025704644 [1,1,0,0,0,0|1,0,0]=3 6733 B9R0.45 COCCCCCCS[13CH3] 62a_200025704644_100011998445 [1,1,0,0,0,0|1,0,0]=3 6734 B9R0.45 COCCCCCNCF 34a_100000747528_100015361967 [1,1,0,0,0,0|2,0,0]=4 6735 B9R0.45 COCCCCNCCF 34a_100000724931_100000755781 [1,1,0,0,0,0|2,0,0]=4 6736 B9R0.45 COCCCCNCCO 2230a_100016997473_100000730899 [1,1,0,0,0,0|1,0,0]=3 6737 B9R0.45 COCCCCNCCO 34a_100016990907_100000755781 [1,1,0,0,0,0|1,0,0]=3 6738 B9R0.45 COCCCCOCCBr 34a_100000211926_100000755781 [1,1,0,0,0,0|2,0,0]=4 6739 B9R0.45 COCCCCOCCF 34a_100000740925_100011217306 [1,1,0,0,0,0|2,0,0]=4 6740 B9R0.45 COCCCCOCCN 34a_100000210304_100000755781 [1,1,0,0,0,0|2,0,0]=4 6741 B9R0.45 COCCCCOCCO 34a_100000740925_100000211926 [1,1,0,0,0,0|1,0,0]=3 6742 B9R0.45 COCCCCOCSC 34a_100000740925_100011218213 [1,1,0,0,0,0|2,0,0]=4 6743 B9R0.45 COCCCCSCCF 62a_100000730899_100011217306 [1,1,0,0,0,0|2,0,0]=4 6744 B9R0.45 COCCCCSCCF 62a_100011217306_100000730899 [1,1,0,0,0,0|2,0,0]=4 6745 B9R0.45 COCCCCSCCO 62a_100000211926_100000730899 [1,1,0,0,0,0|1,0,0]=3 6746 B9R0.45 COCCCCSCCO 62a_100000730899_100000211926 [1,1,0,0,0,0|1,0,0]=3 6747 B9R0.45 COCCCCSCOC 62a_100000730899_100000766300 [1,1,0,0,0,0|2,0,0]=4 6748 B9R0.45 COCCCCSCOC 62a_100000766300_100000730899 [1,1,0,0,0,0|2,0,0]=4 6749 B9R0.45 COCCCCSCSC 62a_100000730899_100011218213 [1,1,0,0,0,0|2,0,0]=4 6750 B9R0.45 COCCCCSCSC 62a_100011218213_100000730899 [1,1,0,0,0,0|2,0,0]=4 6751 B9R0.45 COCCCNCCCF 2230a_100015189416_100000740836 [1,1,0,0,0,0|2,0,0]=4 6752 B9R0.45 COCCCNCCCF 34a_100015189416_100000740836 [1,1,0,0,0,0|2,0,0]=4 6753 B9R0.45 COCCCNCCCF 34a_100150723488_100011934791 [1,1,0,0,0,0|2,0,0]=4 6754 B9R0.45 COCCCNCCCO 34a_100150723488_100000230001 [1,1,0,0,0,0|1,0,0]=3 6755 B9R0.45 COCCCNCCOC 2230a_100000209980_100000740836 [1,1,0,0,0,0|2,0,0]=4 6756 B9R0.45 COCCCNCCOC 34a_100150723488_100011201679 [1,1,0,0,0,0|2,0,0]=4 6757 B9R0.45 COCCCNCCSC 2230a_100020590264_100000740836 [1,1,0,0,0,0|2,0,0]=4 6758 B9R0.45 COCCCNCCSC 34a_100150723488_100000212216 [1,1,0,0,0,0|2,0,0]=4 6759 B9R0.45 COCCCOCCCBr 34a_100011217188_100000740836 [1,1,0,0,0,0|2,0,0]=4 6760 B9R0.45 COCCCOCCCCl 34a_100000230001_100000740836 [1,1,0,0,0,0|2,0,0]=4 6761 B9R0.45 COCCCOCCCF 34a_100000740835_100011934791 [1,1,0,0,0,0|2,0,0]=4 6762 B9R0.45 COCCCOCCCF 34a_100000759539_100000740836 [1,1,0,0,0,0|2,0,0]=4 6763 B9R0.45 COCCCOCCCN 34a_100000182051_100000740836 [1,1,0,0,0,0|2,0,0]=4 6764 B9R0.45 COCCCOCCCN 34a_100011310245_200000210301 [1,1,0,0,0,0|2,0,0]=4 6765 B9R0.45 COCCCOCCCO 34a_100000740835_100000230001 [1,1,0,0,0,0|1,0,0]=3 6766 B9R0.45 COCCCOCCOC 34a_100000210237_100000740836 [1,1,0,0,0,0|2,0,0]=4 6767 B9R0.45 COCCCOCCOC 34a_100000740835_100011201679 [1,1,0,0,0,0|2,0,0]=4 6768 B9R0.45 COCCCOCCOC 34a_100138415774_100011216529 [1,1,0,0,0,0|2,0,0]=4 6769 B9R0.45 COCCCOCCON 34a_100000700252_100000740836 [1,1,0,0,0,0|2,0,0]=4 6770 B9R0.45 COCCCOCCSC 34a_100000230434_100000740836 [1,1,0,0,0,0|2,0,0]=4 6771 B9R0.45 COCCCOCCSC 34a_100000740835_100000212216 [1,1,0,0,0,0|2,0,0]=4 6772 B9R0.45 COCCCOCCSC 7a_100000230434_100000740836 [1,1,0,0,0,0|2,0,0]=4 6773 B9R0.45 COCCCSCCCF 62a_100000709357_100011934791 [1,1,0,0,0,0|2,0,0]=4 6774 B9R0.45 COCCCSCCCF 62a_100011934791_100000709357 [1,1,0,0,0,0|2,0,0]=4 6775 B9R0.45 COCCCSCCCO 62a_100000709357_100011215043 [1,1,0,0,0,0|1,0,0]=3 6776 B9R0.45 COCCCSCCCO 62a_100011215043_100000709357 [1,1,0,0,0,0|1,0,0]=3 6777 B9R0.45 COCCCSCCOC 62a_100000233755_100000709357 [1,1,0,0,0,0|2,0,0]=4 6778 B9R0.45 COCCCSCCOC 62a_100000709357_100000233755 [1,1,0,0,0,0|2,0,0]=4 6779 B9R0.45 COCCCSCCSC 62a_100000212216_100000709357 [1,1,0,0,0,0|2,0,0]=4 6780 B9R0.45 COCCCSCCSC 62a_100000709357_100000751147 [1,1,0,0,0,0|2,0,0]=4 6781 B9R0.45 COCCNCCCCF 2230a_100000209980_100000729493 [1,1,0,0,0,0|2,0,0]=4 6782 B9R0.45 COCCNCCCCO 2230a_100000209980_100000210776 [1,1,0,0,0,0|1,0,0]=3 6783 B9R0.45 COCCNCCCCO 2230a_100000750430_100011201679 [1,1,0,0,0,0|1,0,0]=3 6784 B9R0.45 COCCNCCCCO 34a_100000750430_100011201679 [1,1,0,0,0,0|1,0,0]=3 6785 B9R0.45 COCCNCCCSC 2230a_100000749238_100011201679 [1,1,0,0,0,0|2,0,0]=4 6786 B9R0.45 COCCOCCCCBr 34a_100011216708_100011201679 [1,1,0,0,0,0|2,0,0]=4 6787 B9R0.45 COCCOCCCCCl 34a_100000210776_100011201679 [1,1,0,0,0,0|2,0,0]=4 6788 B9R0.45 COCCOCCCCCl 7a_100000210776_100000233755 [1,1,0,0,0,0|2,0,0]=4 6789 B9R0.45 COCCOCCCCF 34a_100000210237_100000729493 [1,1,0,0,0,0|2,0,0]=4 6790 B9R0.45 COCCOCCCCF 34a_100011995726_100011201679 [1,1,0,0,0,0|2,0,0]=4 6791 B9R0.45 COCCOCCCCF 7a_100011995726_100000233755 [1,1,0,0,0,0|2,0,0]=4 6792 B9R0.45 COCCOCCCCI 34a_200012148704_100011201679 [1,1,0,0,0,0|2,0,0]=4 6793 B9R0.45 COCCOCCCCN 34a_100000750430_100011201679 [1,1,0,0,0,0|2,0,0]=4 6794 B9R0.45 COCCOCCCCO 34a_100000210237_100011216708 [1,1,0,0,0,0|1,0,0]=3 6795 B9R0.45 COCCOCCCN[13CH3] 2230a_100000206027_200025704644 [1,1,0,0,0,0|2,0,0]=4 6796 B9R0.45 COCCOCCCN[13CH3] 34a_100000206027_200025704644 [1,1,0,0,0,0|2,0,0]=4 6797 B9R0.45 COCCOCCCSC 34a_100000690336_100011201679 [1,1,0,0,0,0|2,0,0]=4 6798 B9R0.45 COCCOCCCSC 62a_100011216529_200000210301 [1,1,0,0,0,0|2,0,0]=4 6799 B9R0.45 COCCOCCCSC 62a_200000210301_100011216529 [1,1,0,0,0,0|2,0,0]=4 6800 B9R0.45 COCCOCCCSC 7a_100000690336_100000233755 [1,1,0,0,0,0|2,0,0]=4 6801 B9R0.45 COCCOCCCS[13CH3] 62a_100011216529_200025704644 [1,1,0,0,0,0|2,0,0]=4 6802 B9R0.45 COCCOCCCS[13CH3] 62a_200025704644_100011216529 [1,1,0,0,0,0|2,0,0]=4 6803 B9R0.45 COCCOCNCCO 2230a_100016997473_100000231047 [1,1,0,0,0,0|2,0,0]=4 6804 B9R0.45 COCCOCSCCO 62a_100000211926_100000231047 [1,1,0,0,0,0|2,0,0]=4 6805 B9R0.45 COCCOCSCCO 62a_100000231047_100000211926 [1,1,0,0,0,0|2,0,0]=4 6806 B9R0.45 COCCSCCCCF 62a_100000233755_100000729493 [1,1,0,0,0,0|2,0,0]=4 6807 B9R0.45 COCCSCCCCF 62a_100000729493_100000233755 [1,1,0,0,0,0|2,0,0]=4 6808 B9R0.45 COCCSCCCCO 62a_100000210776_100000233755 [1,1,0,0,0,0|1,0,0]=3 6809 B9R0.45 COCCSCCCCO 62a_100000233755_100000210776 [1,1,0,0,0,0|1,0,0]=3 6810 B9R0.45 COCNCCCCCO 2230a_100000762737_100000766300 [1,1,0,0,0,0|1,0,0]=3 6811 B9R0.45 COCNCCOCCO 2230a_100000211614_100000766300 [1,1,0,0,0,0|2,0,0]=4 6812 B9R0.45 COCNCCSCCO 2230a_100011219999_100000766300 [1,1,0,0,0,0|2,0,0]=4 6813 B9R0.45 COCSCCCCCF 62a_100000729378_100000766300 [1,1,0,0,0,0|2,0,0]=4 6814 B9R0.45 COCSCCCCCF 62a_100000766300_100000729378 [1,1,0,0,0,0|2,0,0]=4 6815 B9R0.45 COCSCCCCCO 62a_100000746330_100000766300 [1,1,0,0,0,0|1,0,0]=3 6816 B9R0.45 COCSCCCCCO 62a_100000766300_100000746330 [1,1,0,0,0,0|1,0,0]=3 6817 B9R0.45 COCSCCOCCO 62a_100000766300_100011215305 [1,1,0,0,0,0|2,0,0]=4 6818 B9R0.45 COCSCCOCCO 62a_100011215305_100000766300 [1,1,0,0,0,0|2,0,0]=4 6819 B9R0.45 CSCCCCCCC#N 62a_100009813337_200000210301 [1,1,0,0,0,0|1,0,1]=4 6820 B9R0.45 CSCCCCCCC#N 62a_200000210301_100009813337 [1,1,0,0,0,0|1,0,1]=4 6821 B9R0.45 CSCCCCCCCO 62a_100000760002_200000210301 [1,1,0,0,0,0|0,0,0]=2 6822 B9R0.45 CSCCCCCCCO 62a_200000210301_100000760002 [1,1,0,0,0,0|0,0,0]=2 6823 B9R0.45 CSCCCCOCCF 34a_100011217163_100011217306 [1,1,0,0,0,0|2,0,0]=4 6824 B9R0.45 CSCCCCOCCF 7a_100011217163_100011217306 [1,1,0,0,0,0|2,0,0]=4 6825 B9R0.45 CSCCCCOCCO 34a_100011217163_100000211926 [1,1,0,0,0,0|1,0,0]=3 6826 B9R0.45 CSCCCCOCCO 7a_100011217163_100000211926 [1,1,0,0,0,0|1,0,0]=3 6827 B9R0.45 CSCCCNCCCF 2230a_100000749238_100011934791 [1,1,0,0,0,0|2,0,0]=4 6828 B9R0.45 CSCCCNCCCO 2230a_100000749238_100000230001 [1,1,0,0,0,0|1,0,0]=3 6829 B9R0.45 CSCCCOCCCF 34a_100000690336_100011934791 [1,1,0,0,0,0|2,0,0]=4 6830 B9R0.45 CSCCCOCCCF 7a_100000690336_100011934791 [1,1,0,0,0,0|2,0,0]=4 6831 B9R0.45 CSCCCOCCCO 34a_100000690336_100000230001 [1,1,0,0,0,0|1,0,0]=3 6832 B9R0.45 CSCCCOCCCO 7a_100000690336_100011215043 [1,1,0,0,0,0|1,0,0]=3 6833 B9R0.45 CSCCNCCCCF 2230a_100020590264_100000729493 [1,1,0,0,0,0|2,0,0]=4 6834 B9R0.45 CSCCNCCCCO 2230a_100000750430_100000751147 [1,1,0,0,0,0|1,0,0]=3 6835 B9R0.45 CSCCNCCCCO 2230a_100020590264_100000210776 [1,1,0,0,0,0|1,0,0]=3 6836 B9R0.45 CSCCNCCCCO 34a_100000750430_100000212216 [1,1,0,0,0,0|1,0,0]=3 6837 B9R0.45 CSCCOCCCCBr 34a_100011216708_100000212216 [1,1,0,0,0,0|2,0,0]=4 6838 B9R0.45 CSCCOCCCCCl 34a_100000210776_100000212216 [1,1,0,0,0,0|2,0,0]=4 6839 B9R0.45 CSCCOCCCCCl 7a_100000210776_100000212216 [1,1,0,0,0,0|2,0,0]=4 6840 B9R0.45 CSCCOCCCCF 34a_100000230434_100000729493 [1,1,0,0,0,0|2,0,0]=4 6841 B9R0.45 CSCCOCCCCF 34a_100011995726_100000212216 [1,1,0,0,0,0|2,0,0]=4 6842 B9R0.45 CSCCOCCCCF 7a_100000230434_100000729493 [1,1,0,0,0,0|2,0,0]=4 6843 B9R0.45 CSCCOCCCCF 7a_100011995726_100000212216 [1,1,0,0,0,0|2,0,0]=4 6844 B9R0.45 CSCCOCCCCI 34a_200012148704_100000212216 [1,1,0,0,0,0|2,0,0]=4 6845 B9R0.45 CSCCOCCCCN 34a_100000750430_100000212216 [1,1,0,0,0,0|2,0,0]=4 6846 B9R0.45 CSCCOCCCCO 34a_100000230434_100011216708 [1,1,0,0,0,0|1,0,0]=3 6847 B9R0.45 CSCCOCCCCO 7a_100000230434_100000210776 [1,1,0,0,0,0|1,0,0]=3 6848 B9R0.45 CSCCSCCCCF 62a_100000212216_100000729493 [1,1,0,0,0,0|2,0,0]=4 6849 B9R0.45 CSCCSCCCCF 62a_100000729493_100000751147 [1,1,0,0,0,0|2,0,0]=4 6850 B9R0.45 CSCCSCCCCO 62a_100000210776_100000751147 [1,1,0,0,0,0|1,0,0]=3 6851 B9R0.45 CSCCSCCCCO 62a_100000212216_100000210776 [1,1,0,0,0,0|1,0,0]=3 6852 B9R0.45 CSCNCCCCCO 2230a_100000762737_100011218213 [1,1,0,0,0,0|1,0,0]=3 6853 B9R0.45 CSCNCCCCCO 34a_100000762737_100011218213 [1,1,0,0,0,0|1,0,0]=3 6854 B9R0.45 CSCNCCOCCO 2230a_100000211614_100011218213 [1,1,0,0,0,0|2,0,0]=4 6855 B9R0.45 CSCNCCOCCO 34a_100000211614_100011218213 [1,1,0,0,0,0|2,0,0]=4 6856 B9R0.45 CSCNCCSCCO 2230a_100011219999_100011218213 [1,1,0,0,0,0|2,0,0]=4 6857 B9R0.45 CSCOCCCCCBr 34a_100000746331_100011218213 [1,1,0,0,0,0|2,0,0]=4 6858 B9R0.45 CSCOCCCCCCl 34a_100000746330_100011218213 [1,1,0,0,0,0|2,0,0]=4 6859 B9R0.45 CSCOCCCCCI 34a_200012148887_100011218213 [1,1,0,0,0,0|2,0,0]=4 6860 B9R0.45 CSCOCCCCCN 34a_100000762737_100011218213 [1,1,0,0,0,0|2,0,0]=4 6861 B9R0.45 CSCSCCCCCF 62a_100000729378_100011218213 [1,1,0,0,0,0|2,0,0]=4 6862 B9R0.45 CSCSCCCCCF 62a_100011218213_100000729378 [1,1,0,0,0,0|2,0,0]=4 6863 B9R0.45 CSCSCCCCCO 62a_100000746330_100011218213 [1,1,0,0,0,0|1,0,0]=3 6864 B9R0.45 CSCSCCCCCO 62a_100011218213_100000746330 [1,1,0,0,0,0|1,0,0]=3 6865 B9R0.45 CSCSCCOCCO 62a_100011215305_100011218213 [1,1,0,0,0,0|2,0,0]=4 6866 B9R0.45 CSCSCCOCCO 62a_100011218213_100011215305 [1,1,0,0,0,0|2,0,0]=4 6867 B9R0.45 FCCCCCCOCF 34a_100000732779_100015361967 [1,1,0,0,0,0|2,0,0]=4 6868 B9R0.45 FCCCCCCOCF 7a_100000732779_100015361967 [1,1,0,0,0,0|2,0,0]=4 6869 B9R0.45 FCCCCCCSCF 62a_100015361967_100015922095 [1,1,0,0,0,0|2,0,0]=4 6870 B9R0.45 FCCCCCCSCF 62a_100015922095_100015361967 [1,1,0,0,0,0|2,0,0]=4 6871 B9R0.45 FCCCCCNCCF 34a_100000724931_100000729378 [1,1,0,0,0,0|2,0,0]=4 6872 B9R0.45 FCCCCCOCCBr 34a_100000211926_100000729378 [1,1,0,0,0,0|2,0,0]=4 6873 B9R0.45 FCCCCCSCCF 62a_100000729378_100011217306 [1,1,0,0,0,0|2,0,0]=4 6874 B9R0.45 FCCCCCSCCF 62a_100011217306_100000729378 [1,1,0,0,0,0|2,0,0]=4 6875 B9R0.45 FCCCCNCCCF 2230a_100015189416_100000729493 [1,1,0,0,0,0|2,0,0]=4 6876 B9R0.45 FCCCCNCCCF 34a_100015189416_100000729493 [1,1,0,0,0,0|2,0,0]=4 6877 B9R0.45 FCCCCOCCCBr 34a_100011217188_100000729493 [1,1,0,0,0,0|2,0,0]=4 6878 B9R0.45 FCCCCOCCCCl 34a_100000230001_100000729493 [1,1,0,0,0,0|2,0,0]=4 6879 B9R0.45 FCCCCOCCCF 34a_100000759539_100000729493 [1,1,0,0,0,0|2,0,0]=4 6880 B9R0.45 FCCCCOCCCF 34a_100011995726_100011934791 [1,1,0,0,0,0|2,0,0]=4 6881 B9R0.45 FCCCCOCCCF 7a_100011995726_100011934791 [1,1,0,0,0,0|2,0,0]=4 6882 B9R0.45 FCCCCSCCCF 62a_100000729493_100011934791 [1,1,0,0,0,0|2,0,0]=4 6883 B9R0.45 FCCCCSCCCF 62a_100011934791_100000729493 [1,1,0,0,0,0|2,0,0]=4 6884 B9R0.45 FCCCOCCCCBr 34a_100011216708_100011934791 [1,1,0,0,0,0|2,0,0]=4 6885 B9R0.45 FCCCOCCCCCl 34a_100000210776_100011934791 [1,1,0,0,0,0|2,0,0]=4 6886 B9R0.45 FCCCOCCCCCl 7a_100000210776_100011934791 [1,1,0,0,0,0|2,0,0]=4 6887 B9R0.45 FCCCOCCCCI 34a_200012148704_100011934791 [1,1,0,0,0,0|2,0,0]=4 6888 B9R0.45 FCCOCCCCCBr 34a_100000746331_100011217306 [1,1,0,0,0,0|2,0,0]=4 6889 B9R0.45 FCCOCCCCCBr 7a_100000746331_100011217306 [1,1,0,0,0,0|2,0,0]=4 6890 B9R0.45 FCCOCCCCCCl 34a_100000746330_100011217306 [1,1,0,0,0,0|2,0,0]=4 6891 B9R0.45 FCCOCCCCCCl 7a_100000746330_100011217306 [1,1,0,0,0,0|2,0,0]=4 6892 B9R0.45 FCCOCCCCCI 34a_200012148887_100011217306 [1,1,0,0,0,0|2,0,0]=4 6893 B9R0.45 FCCOCCCCCI 7a_200012148887_100011217306 [1,1,0,0,0,0|2,0,0]=4 6894 B9R0.45 FCOCCCCCCBr 34a_100011215345_100015361967 [1,1,0,0,0,0|2,0,0]=4 6895 B9R0.45 FCOCCCCCCBr 7a_100011215345_100015361967 [1,1,0,0,0,0|2,0,0]=4 6896 B9R0.45 FCOCCCCCCCl 34a_100000766143_100015361967 [1,1,0,0,0,0|2,0,0]=4 6897 B9R0.45 FCOCCCCCCCl 7a_100000766143_100015361967 [1,1,0,0,0,0|2,0,0]=4 6898 B9R0.45 N#CCCCCNCCO 2230a_100016997473_100000211819 [1,1,0,0,0,0|1,0,1]=4 6899 B9R0.45 N#CCCCCSCCO 62a_100000211926_100000211819 [1,1,0,0,0,0|1,0,1]=4 6900 B9R0.45 N#CCCCCSCCO 62a_100011219923_100000211926 [1,1,0,0,0,0|1,0,1]=4 6901 B9R0.45 N#CCCCSCCCO 62a_100000687738_100011215043 [1,1,0,0,0,0|1,0,1]=4 6902 B9R0.45 N#CCCCSCCCO 62a_100011215043_100000687738 [1,1,0,0,0,0|1,0,1]=4 6903 B9R0.45 N#CCCNCCCCO 2230a_100000750430_100011215226 [1,1,0,0,0,0|1,0,1]=4 6904 B9R0.45 N#CCCSCCCCO 62a_100000210776_100011215226 [1,1,0,0,0,0|1,0,1]=4 6905 B9R0.45 N#CCCSCCCCO 62a_100011215226_100000210776 [1,1,0,0,0,0|1,0,1]=4 6906 B9R0.45 N#CCNCCCCCO 2230a_100000762737_100011215382 [1,1,0,0,0,0|1,0,1]=4 6907 B9R0.45 N#CCSCCCCCO 62a_100000746330_100011215382 [1,1,0,0,0,0|1,0,1]=4 6908 B9R0.45 N#CCSCCCCCO 62a_100011215382_100000746330 [1,1,0,0,0,0|1,0,1]=4 6909 B9R0.45 NCCCCCCOCF 34a_100000686447_100015361967 [1,1,0,0,0,0|2,0,0]=4 6910 B9R0.45 NCCCCCOCCF 34a_100000762737_100011217306 [1,1,0,0,0,0|2,0,0]=4 6911 B9R0.45 NCCCCCOCCO 34a_100000762737_100000211926 [1,1,0,0,0,0|1,0,0]=3 6912 B9R0.45 NCCCCOCCCF 34a_100000750430_100011934791 [1,1,0,0,0,0|2,0,0]=4 6913 B9R0.45 NCCCCOCCCO 34a_100000750430_100000230001 [1,1,0,0,0,0|1,0,0]=3 6914 B9R0.45 NCCCOCCCCF 34a_100000182051_100000729493 [1,1,0,0,0,0|2,0,0]=4 6915 B9R0.45 NCCCOCCCCO 34a_100000182051_100011216708 [1,1,0,0,0,0|1,0,0]=3 6916 B9R0.45 NCCOCCCCCF 34a_100000210304_100000729378 [1,1,0,0,0,0|2,0,0]=4 6917 B9R0.45 NCCOCCCCCO 34a_100000210304_100000746330 [1,1,0,0,0,0|1,0,0]=3 6918 B9R0.45 NCCOCCOCCO 34a_100000210304_100000692535 [1,1,0,0,0,0|2,0,0]=4 6919 B9R0.45 NCCOCCOCCO 34a_100000211614_100000211926 [1,1,0,0,0,0|2,0,0]=4 6920 B9R0.45 NOCCOCCCCF 34a_100000700252_100000729493 [1,1,0,0,0,0|2,0,0]=4 6921 B9R0.45 NOCCOCCCCO 34a_100000700252_100011216708 [1,1,0,0,0,0|2,0,0]=4 6922 B9R0.45 O=CCCCCNCCO 2230a_100016997473_100000139335 [1,1,0,0,0,0|1,0,1]=4 6923 B9R0.45 O=CCCCCSCCO 62a_100000139335_100000211926 [1,1,0,0,0,0|1,0,1]=4 6924 B9R0.45 O=CCCCCSCCO 62a_100000211926_100000139335 [1,1,0,0,0,0|1,0,1]=4 6925 B9R0.45 O=CCCCSCCCO 62a_100011215043_200011292268 [1,1,0,0,0,0|1,0,1]=4 6926 B9R0.45 O=CCCCSCCCO 62a_200011292268_100011215043 [1,1,0,0,0,0|1,0,1]=4 6927 B9R0.45 O=CCNCCCCCO 2230a_100000762737_200015260668 [1,1,0,0,0,0|1,0,1]=4 6928 B9R0.45 O=CCNCCCCCO 34a_100000762737_200009817547 [1,1,0,0,0,0|1,0,1]=4 6929 B9R0.45 O=CCSCCCCCO 62a_100000746330_200015260668 [1,1,0,0,0,0|1,0,1]=4 6930 B9R0.45 O=CCSCCCCCO 62a_200015260668_100000746330 [1,1,0,0,0,0|1,0,1]=4 6931 B9R0.45 OCCCCCCNCF 34a_100000686447_100015361967 [1,1,0,0,0,0|1,0,0]=3 6932 B9R0.45 OCCCCCCSCF 62a_100000766143_100015361967 [1,1,0,0,0,0|1,0,0]=3 6933 B9R0.45 OCCCCCCSCF 62a_100015361967_100000766143 [1,1,0,0,0,0|1,0,0]=3 6934 B9R0.45 OCCCCCNCCF 2230a_100000762737_100011217306 [1,1,0,0,0,0|1,0,0]=3 6935 B9R0.45 OCCCCCNCCF 34a_100000724931_100000746330 [1,1,0,0,0,0|1,0,0]=3 6936 B9R0.45 OCCCCCNCCF 34a_100000762737_100011217306 [1,1,0,0,0,0|1,0,0]=3 6937 B9R0.45 OCCCCCNCCO 2230a_100000762737_100000211926 [1,1,0,0,0,0|1,0,0]=3 6938 B9R0.45 OCCCCCNCCO 2230a_100016997473_100000746330 [1,1,0,0,0,0|1,0,0]=3 6939 B9R0.45 OCCCCCNCCO 34a_100000762737_100000211926 [1,1,0,0,0,0|1,0,0]=3 6940 B9R0.45 OCCCCCNCCO 34a_100016990907_100000746330 [1,1,0,0,0,0|1,0,0]=3 6941 B9R0.45 OCCCCCOCCBr 34a_100000211926_100000746330 [1,1,0,0,0,0|1,0,0]=3 6942 B9R0.45 OCCCCCSCCF 62a_100000746330_100011217306 [1,1,0,0,0,0|1,0,0]=3 6943 B9R0.45 OCCCCCSCCF 62a_100011217306_100000746330 [1,1,0,0,0,0|1,0,0]=3 6944 B9R0.45 OCCCCCSCCO 62a_100000211926_100000746330 [1,1,0,0,0,0|1,0,0]=3 6945 B9R0.45 OCCCCCSCCO 62a_100000746330_100000211926 [1,1,0,0,0,0|1,0,0]=3 6946 B9R0.45 OCCCCNCCCF 2230a_100000750430_100011934791 [1,1,0,0,0,0|1,0,0]=3 6947 B9R0.45 OCCCCNCCCF 2230a_100015189416_100000210776 [1,1,0,0,0,0|1,0,0]=3 6948 B9R0.45 OCCCCNCCCF 34a_100000750430_100011934791 [1,1,0,0,0,0|1,0,0]=3 6949 B9R0.45 OCCCCNCCCF 34a_100015189416_100011216708 [1,1,0,0,0,0|1,0,0]=3 6950 B9R0.45 OCCCCNCCCO 2230a_100000750430_100000230001 [1,1,0,0,0,0|1,0,0]=3 6951 B9R0.45 OCCCCNCCCO 34a_100000750430_100000230001 [1,1,0,0,0,0|1,0,0]=3 6952 B9R0.45 OCCCCOCCCBr 34a_100011217188_100011216708 [1,1,0,0,0,0|1,0,0]=3 6953 B9R0.45 OCCCCOCCCCl 34a_100000230001_100011216708 [1,1,0,0,0,0|1,0,0]=3 6954 B9R0.45 OCCCCOCCCF 34a_100000759539_100011216708 [1,1,0,0,0,0|1,0,0]=3 6955 B9R0.45 OCCCCSCCCF 62a_100000210776_100011934791 [1,1,0,0,0,0|1,0,0]=3 6956 B9R0.45 OCCCCSCCCF 62a_100011934791_100000210776 [1,1,0,0,0,0|1,0,0]=3 6957 B9R0.45 OCCCCSCCCO 62a_100000210776_100011215043 [1,1,0,0,0,0|1,0,0]=3 6958 B9R0.45 OCCCCSCCCO 62a_100011215043_100000210776 [1,1,0,0,0,0|1,0,0]=3 6959 B9R0.45 OCCCOCCCCBr 34a_100011216708_100000230001 [1,1,0,0,0,0|1,0,0]=3 6960 B9R0.45 OCCCOCCCCCl 34a_100000210776_100000230001 [1,1,0,0,0,0|1,0,0]=3 6961 B9R0.45 OCCCOCCCCCl 7a_100000210776_100011215043 [1,1,0,0,0,0|1,0,0]=3 6962 B9R0.45 OCCCOCCCCF 34a_100011995726_100000230001 [1,1,0,0,0,0|1,0,0]=3 6963 B9R0.45 OCCCOCCCCF 7a_100011995726_100011215043 [1,1,0,0,0,0|1,0,0]=3 6964 B9R0.45 OCCCOCCCCI 34a_200012148704_100000230001 [1,1,0,0,0,0|1,0,0]=3 6965 B9R0.45 OCCCSCCCCF 62a_100000729493_100011215043 [1,1,0,0,0,0|1,0,0]=3 6966 B9R0.45 OCCCSCCCCF 62a_100011215043_100000729493 [1,1,0,0,0,0|1,0,0]=3 6967 B9R0.45 OCCNCCCCCF 2230a_100016997473_100000729378 [1,1,0,0,0,0|1,0,0]=3 6968 B9R0.45 OCCNCCCCCF 34a_100016990907_100000729378 [1,1,0,0,0,0|1,0,0]=3 6969 B9R0.45 OCCNCCOCCO 2230a_100000211614_100000211926 [1,1,0,0,0,0|2,0,0]=4 6970 B9R0.45 OCCNCCOCCO 2230a_100016997473_100011215305 [1,1,0,0,0,0|2,0,0]=4 6971 B9R0.45 OCCNCCOCCO 34a_100000211614_100000211926 [1,1,0,0,0,0|2,0,0]=4 6972 B9R0.45 OCCNCCOCCO 34a_100016990907_100000692535 [1,1,0,0,0,0|2,0,0]=4 6973 B9R0.45 OCCNCCSCCO 2230a_100011219999_100000211926 [1,1,0,0,0,0|2,0,0]=4 6974 B9R0.45 OCCOCCCCCBr 34a_100000746331_100000211926 [1,1,0,0,0,0|1,0,0]=3 6975 B9R0.45 OCCOCCCCCBr 7a_100000746331_100000211926 [1,1,0,0,0,0|1,0,0]=3 6976 B9R0.45 OCCOCCCCCCl 34a_100000746330_100000211926 [1,1,0,0,0,0|1,0,0]=3 6977 B9R0.45 OCCOCCCCCCl 7a_100000746330_100000211926 [1,1,0,0,0,0|1,0,0]=3 6978 B9R0.45 OCCOCCCCCI 34a_200012148887_100000211926 [1,1,0,0,0,0|1,0,0]=3 6979 B9R0.45 OCCOCCCCCI 7a_200012148887_100000211926 [1,1,0,0,0,0|1,0,0]=3 6980 B9R0.45 OCCOCCNCCF 2230a_100000211614_100011217306 [1,1,0,0,0,0|2,0,0]=4 6981 B9R0.45 OCCOCCNCCF 34a_100000211614_100011217306 [1,1,0,0,0,0|2,0,0]=4 6982 B9R0.45 OCCOCCNCCF 34a_100000724931_100000692535 [1,1,0,0,0,0|2,0,0]=4 6983 B9R0.45 OCCOCCOCCBr 34a_100000211926_100000692535 [1,1,0,0,0,0|2,0,0]=4 6984 B9R0.45 OCCOCCOCCBr 34a_100000692535_100000211926 [1,1,0,0,0,0|2,0,0]=4 6985 B9R0.45 OCCOCCOCCBr 7a_100000692535_100000211926 [1,1,0,0,0,0|2,0,0]=4 6986 B9R0.45 OCCOCCOCCCl 34a_100011215305_100000211926 [1,1,0,0,0,0|2,0,0]=4 6987 B9R0.45 OCCOCCOCCCl 7a_100011215305_100000211926 [1,1,0,0,0,0|2,0,0]=4 6988 B9R0.45 OCCOCCOCCF 34a_200015357709_100000211926 [1,1,0,0,0,0|2,0,0]=4 6989 B9R0.45 OCCOCCOCCF 7a_200015357709_100000211926 [1,1,0,0,0,0|2,0,0]=4 6990 B9R0.45 OCCOCCOCCI 34a_100012149058_100000211926 [1,1,0,0,0,0|2,0,0]=4 6991 B9R0.45 OCCOCCOCCI 7a_100012149058_100000211926 [1,1,0,0,0,0|2,0,0]=4 6992 B9R0.45 OCCOCCSCCF 62a_100011215305_100011217306 [1,1,0,0,0,0|2,0,0]=4 6993 B9R0.45 OCCOCCSCCF 62a_100011217306_100011215305 [1,1,0,0,0,0|2,0,0]=4 6994 B9R0.45 OCCOCCSCCO 62a_100000211926_100011215305 [1,1,0,0,0,0|2,0,0]=4 6995 B9R0.45 OCCOCCSCCO 62a_100011215305_100000211926 [1,1,0,0,0,0|2,0,0]=4 6996 B9R0.45 OCCSCCCCCF 62a_100000211926_100000729378 [1,1,0,0,0,0|1,0,0]=3 6997 B9R0.45 OCCSCCCCCF 62a_100000729378_100000211926 [1,1,0,0,0,0|1,0,0]=3 6998 B9R0.45 OCCSCCNCCF 2230a_100011219999_100011217306 [1,1,0,0,0,0|2,0,0]=4 6999 B9R0.45 [13CH3]NCCCCCCCO 2230a_100011996573_200025704644 [1,1,0,0,0,0|0,0,0]=2 7000 B9R0.45 [13CH3]NCCCCCCCO 34a_100011996573_200025704644 [1,1,0,0,0,0|0,0,0]=2 7001 B9R0.45 [13CH3]NCCCOCCCO 2230a_100011310245_200025704644 [1,1,0,0,0,0|1,0,0]=3 7002 B9R0.45 [13CH3]NCCCOCCCO 34a_100011310245_200025704644 [1,1,0,0,0,0|1,0,0]=3 7003 B9R0.45 [13CH3]OCCCCCCCBr 34a_100000760002_200025704644 [1,1,0,0,0,0|1,0,0]=3 7004 B9R0.45 [13CH3]OCCCCCCCBr 7a_100000760002_200025704644 [1,1,0,0,0,0|1,0,0]=3 7005 B9R0.45 [13CH3]OCCCCCCCN 34a_100011996573_200025704644 [1,1,0,0,0,0|1,0,0]=3 7006 B9R0.45 [13CH3]OCCCOCCCN 34a_100011310245_200025704644 [1,1,0,0,0,0|2,0,0]=4 7007 B9R0.45 [13CH3]SCCCCCCC#N 62a_100009813337_200025704644 [1,1,0,0,0,0|1,0,1]=4 7008 B9R0.45 [13CH3]SCCCCCCC#N 62a_200025704644_100009813337 [1,1,0,0,0,0|1,0,1]=4 7009 B9R0.45 [13CH3]SCCCCCCCO 62a_100000760002_200025704644 [1,1,0,0,0,0|0,0,0]=2 7010 B9R0.45 [13CH3]SCCCCCCCO 62a_200025704644_100000760002 [1,1,0,0,0,0|0,0,0]=2 7011 B9R0.1 C=C(C)CNC[C@H](O)CO 2230a_100020644852_100000748629 [1,1,0,0,0,0|1,0,1]=4 7012 B9R0.1 C=C(C)COCC(O)CO 34a_100000210245_100011219619 [1,1,0,0,0,0|1,0,1]=4 7013 B9R0.1 C=C(C)COC[C@@H](O)CO 34a_100000210245_100009815848 [1,1,0,0,0,0|1,0,1]=4 7014 B9R0.1 C=C(C)CSCC(O)CO 62a_100000748629_100011219619 [1,1,0,0,0,0|1,0,1]=4 7015 B9R0.1 C=C(C)CSCC(O)CO 62a_100011219619_100000211660 [1,1,0,0,0,0|1,0,1]=4 7016 B9R0.1 C=C(C)CSC[C@@H](O)CO 62a_100000748629_100009815848 [1,1,0,0,0,0|1,0,1]=4 7017 B9R0.1 C=C(C)CSC[C@@H](O)CO 62a_100009815848_100000211660 [1,1,0,0,0,0|1,0,1]=4 7018 B9R0.1 CC(=O)COCC(O)CO 34a_100000211253_100011219619 [1,1,0,0,0,0|1,0,1]=4 7019 B9R0.1 CC(=O)COC[C@@H](O)CO 34a_100000211253_100009815848 [1,1,0,0,0,0|1,0,1]=4 7020 B9R0.1 CC(Br)CCOC(C)CO 34a_100009893172_100012180447 [1,1,0,0,0,0|2,0,0]=4 7021 B9R0.1 CC(Br)COCC(O)CO 34a_100012180447_100011219619 [1,1,0,0,0,0|1,0,0]=3 7022 B9R0.1 CC(Br)COC[C@@H](C)CO 34a_100012180447_100000059175 [1,1,0,0,0,0|2,0,0]=4 7023 B9R0.1 CC(Br)COC[C@@H](O)CF 34a_100012180447_100015614560 [1,1,0,0,0,0|2,0,0]=4 7024 B9R0.1 CC(Br)COC[C@@H](O)CO 34a_100012180447_100009815848 [1,1,0,0,0,0|1,0,0]=3 7025 B9R0.1 CC(C)CCCC(=O)CO 1458a_100000210174_100011214892 [1,1,0,0,0,0|0,0,2]=4 7026 B9R0.1 CC(C)CCN[C@H](C)CO 2230a_100000737577_100000210312 [1,1,0,0,0,0|2,0,0]=4 7027 B9R0.1 CC(C)CCN[C@H](C)CO 269862a_100000737577_100000185833 [1,1,0,0,0,0|2,0,0]=4 7028 B9R0.1 CC(C)CCOC(C)CO 34a_100000210254_100012180447 [1,1,0,0,0,0|2,0,0]=4 7029 B9R0.1 CC(C)CCOC(C)CO 7a_100000210254_100012180447 [1,1,0,0,0,0|2,0,0]=4 7030 B9R0.1 CC(C)CCSC(C)CO 62a_100012180447_100000210312 [1,1,0,0,0,0|2,0,0]=4 7031 B9R0.1 CC(C)CCS[C@H](C)CO 62a_100000210312_100016084084 [1,1,0,0,0,0|2,0,0]=4 7032 B9R0.1 CC(C)CCS[C@H](C)CO 62a_100016084084_100000210312 [1,1,0,0,0,0|2,0,0]=4 7033 B9R0.1 CC(C)CNCC(C)CO 34a_100000744482_100000210624 [1,1,0,0,0,0|2,0,0]=4 7034 B9R0.1 CC(C)CNCC(O)CO 2230a_100000210953_100011219619 [1,1,0,0,0,0|1,0,0]=3 7035 B9R0.1 CC(C)CNCC(O)CO 34a_100000210953_100011219619 [1,1,0,0,0,0|1,0,0]=3 7036 B9R0.1 CC(C)CNC[C@@H](C)CO 2230a_100000210953_100000059175 [1,1,0,0,0,0|2,0,0]=4 7037 B9R0.1 CC(C)CNC[C@@H](C)CO 34a_100000210953_100000059175 [1,1,0,0,0,0|2,0,0]=4 7038 B9R0.1 CC(C)CNC[C@@H](F)CO 270004a_100015665980_100000210432 [1,1,0,0,0,0|2,0,0]=4 7039 B9R0.1 CC(C)CNC[C@@H](F)CO 34a_100015665980_100000210624 [1,1,0,0,0,0|2,0,0]=4 7040 B9R0.1 CC(C)CNC[C@@H](O)CF 2230a_100000210953_100015614560 [1,1,0,0,0,0|2,0,0]=4 7041 B9R0.1 CC(C)CNC[C@@H](O)CF 34a_100000210953_100015614560 [1,1,0,0,0,0|2,0,0]=4 7042 B9R0.1 CC(C)CNC[C@@H](O)CO 2230a_100000210953_100009815848 [1,1,0,0,0,0|1,0,0]=3 7043 B9R0.1 CC(C)CNC[C@@H](O)CO 34a_100000210953_100009815848 [1,1,0,0,0,0|1,0,0]=3 7044 B9R0.1 CC(C)CNC[C@H](O)CO 2230a_100020644852_100000210760 [1,1,0,0,0,0|1,0,0]=3 7045 B9R0.1 CC(C)COCC(O)CO 34a_100000210257_100011219619 [1,1,0,0,0,0|1,0,0]=3 7046 B9R0.1 CC(C)COC[C@@H](C)CO 34a_100000210257_100000059175 [1,1,0,0,0,0|2,0,0]=4 7047 B9R0.1 CC(C)COC[C@@H](O)CF 34a_100000210257_100015614560 [1,1,0,0,0,0|2,0,0]=4 7048 B9R0.1 CC(C)COC[C@@H](O)CO 34a_100000210257_100009815848 [1,1,0,0,0,0|1,0,0]=3 7049 B9R0.1 CC(C)CSCC(O)CO 62a_100000210624_100011219619 [1,1,0,0,0,0|1,0,0]=3 7050 B9R0.1 CC(C)CSCC(O)CO 62a_100011219619_100000210760 [1,1,0,0,0,0|1,0,0]=3 7051 B9R0.1 CC(C)CSC[C@@H](C)CO 62a_100000059175_100000210760 [1,1,0,0,0,0|2,0,0]=4 7052 B9R0.1 CC(C)CSC[C@@H](C)CO 62a_100000210624_100000059175 [1,1,0,0,0,0|2,0,0]=4 7053 B9R0.1 CC(C)CSC[C@@H](O)CF 62a_100000210624_100015614560 [1,1,0,0,0,0|2,0,0]=4 7054 B9R0.1 CC(C)CSC[C@@H](O)CF 62a_100015614560_100000210760 [1,1,0,0,0,0|2,0,0]=4 7055 B9R0.1 CC(C)CSC[C@@H](O)CO 62a_100000210624_100009815848 [1,1,0,0,0,0|1,0,0]=3 7056 B9R0.1 CC(C)CSC[C@@H](O)CO 62a_100009815848_100000210760 [1,1,0,0,0,0|1,0,0]=3 7057 B9R0.1 CC(CO)CCNC(C)C 2230a_106354213184_100000210206 [1,1,0,0,0,0|2,0,0]=4 7058 B9R0.1 CC(CO)CCNC(C)C 34a_106354213184_100000210206 [1,1,0,0,0,0|2,0,0]=4 7059 B9R0.1 CC(CO)CNC[C@@H](C)O 34a_100000744482_100009817552 [1,1,0,0,0,0|2,0,0]=4 7060 B9R0.1 CC(CO)OCC[C@@H](C)N 34a_100000706166_100012180447 [1,1,0,0,0,0|2,0,0]=4 7061 B9R0.1 CC(F)COCC(O)CO 34a_100015925927_100011219619 [1,1,0,0,0,0|1,0,0]=3 7062 B9R0.1 CC(F)COC[C@@H](C)CO 34a_100015925927_100000059175 [1,1,0,0,0,0|2,0,0]=4 7063 B9R0.1 CC(F)COC[C@@H](O)CF 34a_100015925927_100015614560 [1,1,0,0,0,0|2,0,0]=4 7064 B9R0.1 CC(F)COC[C@@H](O)CO 34a_100015925927_100009815848 [1,1,0,0,0,0|1,0,0]=3 7065 B9R0.1 CC(O)CCCC(=O)CO 1458a_100000210174_200000718107 [1,1,0,0,0,0|0,0,2]=4 7066 B9R0.1 CC(O)CCNC(C)CO 2230a_200000755665_100012180447 [1,1,0,0,0,0|2,0,0]=4 7067 B9R0.1 CC(O)CCN[C@H](C)CO 2230a_100000737577_100012276601 [1,1,0,0,0,0|2,0,0]=4 7068 B9R0.1 CC(O)CCSC(C)CO 62a_100012180447_100012276601 [1,1,0,0,0,0|2,0,0]=4 7069 B9R0.1 CC(O)CCS[C@H](C)CO 62a_100012276601_100016084084 [1,1,0,0,0,0|2,0,0]=4 7070 B9R0.1 CC(O)CCS[C@H](C)CO 62a_100016084084_100012276601 [1,1,0,0,0,0|2,0,0]=4 7071 B9R0.1 CC(O)CNCC(C)CO 34a_100000744482_100011218427 [1,1,0,0,0,0|2,0,0]=4 7072 B9R0.1 CC(O)CNCC(O)CO 2230a_100000210904_100011219619 [1,1,0,0,0,0|1,0,0]=3 7073 B9R0.1 CC(O)CNCC(O)CO 34a_100000210904_100011219619 [1,1,0,0,0,0|1,0,0]=3 7074 B9R0.1 CC(O)CNC[C@@H](C)CO 2230a_100000210904_100000059175 [1,1,0,0,0,0|2,0,0]=4 7075 B9R0.1 CC(O)CNC[C@@H](C)CO 34a_100000210904_100000059175 [1,1,0,0,0,0|2,0,0]=4 7076 B9R0.1 CC(O)CNC[C@@H](F)CO 34a_100015665980_100011218427 [1,1,0,0,0,0|2,0,0]=4 7077 B9R0.1 CC(O)CNC[C@@H](O)CF 2230a_100000210904_100015614560 [1,1,0,0,0,0|2,0,0]=4 7078 B9R0.1 CC(O)CNC[C@@H](O)CF 34a_100000210904_100015614560 [1,1,0,0,0,0|2,0,0]=4 7079 B9R0.1 CC(O)CNC[C@@H](O)CO 2230a_100000210904_100009815848 [1,1,0,0,0,0|1,0,0]=3 7080 B9R0.1 CC(O)CNC[C@@H](O)CO 34a_100000210904_100009815848 [1,1,0,0,0,0|1,0,0]=3 7081 B9R0.1 CC(O)CNC[C@H](O)CO 2230a_100020644852_100011218427 [1,1,0,0,0,0|1,0,0]=3 7082 B9R0.1 CC(O)CSCC(O)CO 62a_100011218427_100011219619 [1,1,0,0,0,0|1,0,0]=3 7083 B9R0.1 CC(O)CSCC(O)CO 62a_100011219619_100011218427 [1,1,0,0,0,0|1,0,0]=3 7084 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100000059175_100011218427 [1,1,0,0,0,0|2,0,0]=4 7085 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100011218427_100000059175 [1,1,0,0,0,0|2,0,0]=4 7086 B9R0.1 CC(O)CSC[C@@H](O)CF 62a_100011218427_100015614560 [1,1,0,0,0,0|2,0,0]=4 7087 B9R0.1 CC(O)CSC[C@@H](O)CF 62a_100015614560_100011218427 [1,1,0,0,0,0|2,0,0]=4 7088 B9R0.1 CC(O)CSC[C@@H](O)CO 62a_100009815848_100011218427 [1,1,0,0,0,0|1,0,0]=3 7089 B9R0.1 CC(O)CSC[C@@H](O)CO 62a_100011218427_100009815848 [1,1,0,0,0,0|1,0,0]=3 7090 B9R0.1 CCC(O)CNCC(C)C 2230a_100000210953_100011218378 [1,1,0,0,0,0|2,0,0]=4 7091 B9R0.1 CCC(O)CNCC(C)C 2230a_100011218483_100000210760 [1,1,0,0,0,0|2,0,0]=4 7092 B9R0.1 CCC(O)CNCC(C)C 270004a_100011218483_100000210432 [1,1,0,0,0,0|2,0,0]=4 7093 B9R0.1 CCC(O)CNCC(C)C 34a_100000210953_100011218378 [1,1,0,0,0,0|2,0,0]=4 7094 B9R0.1 CCC(O)CNCC(C)O 2230a_100000210904_100011218378 [1,1,0,0,0,0|2,0,0]=4 7095 B9R0.1 CCC(O)CNCC(C)O 2230a_100011218483_100011218427 [1,1,0,0,0,0|2,0,0]=4 7096 B9R0.1 CCC(O)CNCC(C)O 34a_100000210904_100011218378 [1,1,0,0,0,0|2,0,0]=4 7097 B9R0.1 CCC(O)CNC[C@@H](C)O 2230a_100011218483_100009817552 [1,1,0,0,0,0|2,0,0]=4 7098 B9R0.1 CCC(O)COCC(C)Br 34a_100012180447_100011218378 [1,1,0,0,0,0|2,0,0]=4 7099 B9R0.1 CCC(O)COCC(C)C 34a_100000210257_100011218378 [1,1,0,0,0,0|2,0,0]=4 7100 B9R0.1 CCC(O)COCC(C)F 34a_100015925927_100011218378 [1,1,0,0,0,0|2,0,0]=4 7101 B9R0.1 CCC(O)COC[C@@H](C)Cl 34a_100016084084_100011218378 [1,1,0,0,0,0|2,0,0]=4 7102 B9R0.1 CCC(O)COC[C@@H](C)N 34a_100000737577_100011218378 [1,1,0,0,0,0|2,0,0]=4 7103 B9R0.1 CCC(O)CSCC(C)C 62a_100000210624_100011218378 [1,1,0,0,0,0|2,0,0]=4 7104 B9R0.1 CCC(O)CSCC(C)C 62a_100011218378_100000210760 [1,1,0,0,0,0|2,0,0]=4 7105 B9R0.1 CCC(O)CSCC(C)O 62a_100011218378_100011218427 [1,1,0,0,0,0|2,0,0]=4 7106 B9R0.1 CCC(O)CSCC(C)O 62a_100011218427_100011218378 [1,1,0,0,0,0|2,0,0]=4 7107 B9R0.1 CCC(O)CSC[C@@H](C)O 62a_100009817552_100011218378 [1,1,0,0,0,0|2,0,0]=4 7108 B9R0.1 CCC(O)CSC[C@@H](C)O 62a_100011218378_100009817552 [1,1,0,0,0,0|2,0,0]=4 7109 B9R0.1 C[C@@H](CO)COC[C@@H](C)Cl 34a_100016084084_100000059175 [1,1,0,0,0,0|2,0,0]=4 7110 B9R0.1 C[C@@H](CO)COC[C@@H](C)N 34a_100000737577_100000059175 [1,1,0,0,0,0|2,0,0]=4 7111 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100000059175_100009817552 [1,1,0,0,0,0|2,0,0]=4 7112 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100009817552_100000059175 [1,1,0,0,0,0|2,0,0]=4 7113 B9R0.1 C[C@@H](Cl)COCC(O)CO 34a_100016084084_100011219619 [1,1,0,0,0,0|1,0,0]=3 7114 B9R0.1 C[C@@H](Cl)COC[C@@H](O)CF 34a_100016084084_100015614560 [1,1,0,0,0,0|2,0,0]=4 7115 B9R0.1 C[C@@H](Cl)COC[C@@H](O)CO 34a_100016084084_100009815848 [1,1,0,0,0,0|1,0,0]=3 7116 B9R0.1 C[C@@H](N)COCC(O)CO 34a_100000737577_100011219619 [1,1,0,0,0,0|1,0,0]=3 7117 B9R0.1 C[C@@H](N)COC[C@@H](O)CF 34a_100000737577_100015614560 [1,1,0,0,0,0|2,0,0]=4 7118 B9R0.1 C[C@@H](N)COC[C@@H](O)CO 34a_100000737577_100009815848 [1,1,0,0,0,0|1,0,0]=3 7119 B9R0.1 C[C@@H](O)CNC[C@@H](F)CO 34a_100015665980_100009817552 [1,1,0,0,0,0|2,0,0]=4 7120 B9R0.1 C[C@@H](O)CNC[C@H](O)CO 2230a_100020644852_100009817552 [1,1,0,0,0,0|1,0,0]=3 7121 B9R0.1 C[C@@H](O)CSCC(O)CO 62a_100009817552_100011219619 [1,1,0,0,0,0|1,0,0]=3 7122 B9R0.1 C[C@@H](O)CSCC(O)CO 62a_100011219619_100009817552 [1,1,0,0,0,0|1,0,0]=3 7123 B9R0.1 C[C@@H](O)CSC[C@@H](O)CF 62a_100009817552_100015614560 [1,1,0,0,0,0|2,0,0]=4 7124 B9R0.1 C[C@@H](O)CSC[C@@H](O)CF 62a_100015614560_100009817552 [1,1,0,0,0,0|2,0,0]=4 7125 B9R0.1 C[C@@H](O)CSC[C@@H](O)CO 62a_100009815848_100009817552 [1,1,0,0,0,0|1,0,0]=3 7126 B9R0.1 C[C@@H](O)CSC[C@@H](O)CO 62a_100009817552_100009815848 [1,1,0,0,0,0|1,0,0]=3 7127 B9R0.1 OCC(O)CNCC(F)F 34a_100000765723_100011219619 [1,1,0,0,0,0|2,0,0]=4 7128 B9R0.1 OCC(O)COCC(F)F 34a_100000743014_100011219619 [1,1,0,0,0,0|2,0,0]=4 7129 B9R0.1 OCC(O)CSCC(F)F 62a_100011219619_100011934356 [1,1,0,0,0,0|2,0,0]=4 7130 B9R0.1 OCC(O)CSCC(F)F 62a_100011934356_100011219619 [1,1,0,0,0,0|2,0,0]=4 7131 B9R0.1 OC[C@@H](O)CNCC(F)F 2230a_100020644852_100011934356 [1,1,0,0,0,0|2,0,0]=4 7132 B9R0.1 OC[C@H](O)CNCC(F)F 34a_100000765723_100009815848 [1,1,0,0,0,0|2,0,0]=4 7133 B9R0.1 OC[C@H](O)COCC(F)F 34a_100000743014_100009815848 [1,1,0,0,0,0|2,0,0]=4 7134 B9R0.1 OC[C@H](O)CSCC(F)F 62a_100009815848_100011934356 [1,1,0,0,0,0|2,0,0]=4 7135 B9R0.1 OC[C@H](O)CSCC(F)F 62a_100011934356_100009815848 [1,1,0,0,0,0|2,0,0]=4 7136 B9R0.8 CCCCC(=O)C(O)CC 1458a_100011196387_100000210211 [1,1,0,0,0,0|1,0,1]=4 7137 B9R0.8 CCCCC(=O)C(O)CO 1458a_100011215603_100000210211 [1,1,0,0,0,0|0,0,1]=3 7138 B9R0.8 CCCCC(C)C(=O)CO 1458a_100000210174_200011215066 [1,1,0,0,0,0|0,0,2]=4 7139 B9R0.8 CCCCN(C)C(C)CO 2230a_100000207549_100012180447 [1,1,0,0,0,0|2,0,0]=4 7140 B9R0.8 CCCCN(C)C(C)CO 2230a_100000693034_100000210211 [1,1,0,0,0,0|2,0,0]=4 7141 B9R0.8 CCCCN(C)C(C)CO 269982a_100000693034_100000210211 [1,1,0,0,0,0|2,0,0]=4 7142 B9R0.8 CCCCN(C)[C@H](C)CO 269982a_100000207549_100016084084 [1,1,0,0,0,0|2,0,0]=4 7143 B9R0.8 CCCNC(=O)C(O)CO 240690a_100020643023_100011215603 [1,1,0,0,0,0|1,0,1]=4 7144 B9R0.8 COCCC(=O)C(O)CO 1458a_100011215603_100000233755 [1,1,0,0,0,0|1,0,1]=4 7145 B9R0.8 CSCCC(=O)C(O)CO 1458a_100011215603_100000751147 [1,1,0,0,0,0|1,0,1]=4 7146 B9R0.8 O=C(CCCF)C(O)CO 1458a_100011215603_100011934791 [1,1,0,0,0,0|1,0,1]=4 7147 B9R0.8 O=C(CCCO)C(O)CO 1458a_100011215603_100011215043 [1,1,0,0,0,0|1,0,1]=4 7148 B9R0.20 CC(C)(CO)CCCN[13CH3] 2230a_100000039164_200025704644 [1,1,0,0,0,0|2,0,0]=4 7149 B9R0.20 CCCCNC(C)(C)CO 2230a_100000210608_100000210211 [1,1,0,0,0,0|2,0,0]=4 7150 B9R0.20 CCCCSC(F)(F)CO 62a_100000210211_100011217949 [1,1,0,0,0,0|2,0,0]=4 7151 B9R0.20 CCCCSC(F)(F)CO 62a_100011217949_100000210210 [1,1,0,0,0,0|2,0,0]=4 7152 B9R0.20 CCCNCC(C)(C)CO 2230a_100020635058_100000210303 [1,1,0,0,0,0|2,0,0]=4 7153 B9R0.20 CCCOCC(C)(C)CO 34a_100000210258_100009813988 [1,1,0,0,0,0|2,0,0]=4 7154 B9R0.20 CCCSCC(C)(C)CO 62a_100000210303_100009813988 [1,1,0,0,0,0|2,0,0]=4 7155 B9R0.20 CCCSCC(C)(C)CO 62a_100009813988_100000210303 [1,1,0,0,0,0|2,0,0]=4 7156 B9R0.20 CNCCCC(C)(C)CO 2230a_100000039164_200000210301 [1,1,0,0,0,0|2,0,0]=4 7157 B9R0.24 CC(CF)OCC(O)CO 34a_100016041109_100011219619 [1,1,0,0,0,0|2,0,0]=4 7158 B9R0.24 CC(CF)OCC(O)CO 7a_100016041109_100011219619 [1,1,0,0,0,0|2,0,0]=4 7159 B9R0.24 CC(CF)OC[C@@H](O)CO 34a_100016041109_100009815848 [1,1,0,0,0,0|2,0,0]=4 7160 B9R0.24 CC(CF)OC[C@@H](O)CO 7a_100016041109_100009815848 [1,1,0,0,0,0|2,0,0]=4 7161 B9R0.24 CC(CN)OCC(O)CO 34a_100000210904_100011219619 [1,1,0,0,0,0|2,0,0]=4 7162 B9R0.24 CC(CN)OC[C@@H](O)CO 34a_100000210904_100009815848 [1,1,0,0,0,0|2,0,0]=4 7163 B9R0.24 CC(CO)NC[C@H](O)CO 2230a_100020644852_100012180447 [1,1,0,0,0,0|2,0,0]=4 7164 B9R0.24 CC(CO)SCC(O)CO 62a_100012180447_100011219619 [1,1,0,0,0,0|2,0,0]=4 7165 B9R0.24 CC(CO)SC[C@@H](O)CO 62a_100012180447_100009815848 [1,1,0,0,0,0|2,0,0]=4 7166 B9R0.24 CCC(=O)NC[C@H](O)CO 240690a_100020644852_100000210414 [1,1,0,0,0,0|1,0,1]=4 7167 B9R0.24 CCC(=O)NC[C@H](O)CO 527a_100020644852_100000210414 [1,1,0,0,0,0|1,0,1]=4 7168 B9R0.24 CCC(C)CNC(C)CO 2230a_100020588543_100012180447 [1,1,0,0,0,0|2,0,0]=4 7169 B9R0.24 CCC(C)CN[C@H](C)CO 2230a_100000737577_100000748023 [1,1,0,0,0,0|2,0,0]=4 7170 B9R0.24 CCC(C)CN[C@H](C)CO 270004a_100000737577_100000243153 [1,1,0,0,0,0|2,0,0]=4 7171 B9R0.24 CCC(C)CSC(C)CO 62a_100012180447_100000748023 [1,1,0,0,0,0|2,0,0]=4 7172 B9R0.24 CCC(C)CS[C@H](C)CO 62a_100000748023_100016084084 [1,1,0,0,0,0|2,0,0]=4 7173 B9R0.24 CCC(C)CS[C@H](C)CO 62a_100016084084_100000748023 [1,1,0,0,0,0|2,0,0]=4 7174 B9R0.24 CCC(C)NCC(C)CO 34a_100000744482_100011215416 [1,1,0,0,0,0|2,0,0]=4 7175 B9R0.24 CCC(C)NCC(O)CO 2230a_100000209981_100011219619 [1,1,0,0,0,0|1,0,0]=3 7176 B9R0.24 CCC(C)NC[C@@H](C)CO 2230a_100000209981_100000059175 [1,1,0,0,0,0|2,0,0]=4 7177 B9R0.24 CCC(C)NC[C@@H](F)CO 34a_100015665980_100011215416 [1,1,0,0,0,0|2,0,0]=4 7178 B9R0.24 CCC(C)NC[C@@H](O)CF 2230a_100000209981_100015614560 [1,1,0,0,0,0|2,0,0]=4 7179 B9R0.24 CCC(C)NC[C@@H](O)CO 2230a_100000209981_100009815848 [1,1,0,0,0,0|1,0,0]=3 7180 B9R0.24 CCC(C)NC[C@H](O)CO 2230a_100020644852_100000758301 [1,1,0,0,0,0|1,0,0]=3 7181 B9R0.24 CCC(C)OCC(O)CO 7a_100000210228_100011219619 [1,1,0,0,0,0|1,0,0]=3 7182 B9R0.24 CCC(C)OC[C@@H](C)CO 7a_100000210228_100000059175 [1,1,0,0,0,0|2,0,0]=4 7183 B9R0.24 CCC(C)OC[C@@H](O)CF 7a_100000210228_100015614560 [1,1,0,0,0,0|2,0,0]=4 7184 B9R0.24 CCC(C)OC[C@@H](O)CO 7a_100000210228_100009815848 [1,1,0,0,0,0|1,0,0]=3 7185 B9R0.24 CCC(C)SCC(O)CO 62a_100000758301_100011219619 [1,1,0,0,0,0|1,0,0]=3 7186 B9R0.24 CCC(C)SCC(O)CO 62a_100011219619_100000758301 [1,1,0,0,0,0|1,0,0]=3 7187 B9R0.24 CCC(C)SC[C@@H](C)CO 62a_100000059175_100000758301 [1,1,0,0,0,0|2,0,0]=4 7188 B9R0.24 CCC(C)SC[C@@H](C)CO 62a_100000758301_100000059175 [1,1,0,0,0,0|2,0,0]=4 7189 B9R0.24 CCC(C)SC[C@@H](O)CF 62a_100000758301_100015614560 [1,1,0,0,0,0|2,0,0]=4 7190 B9R0.24 CCC(C)SC[C@@H](O)CF 62a_100015614560_100000758301 [1,1,0,0,0,0|2,0,0]=4 7191 B9R0.24 CCC(C)SC[C@@H](O)CO 62a_100000758301_100009815848 [1,1,0,0,0,0|1,0,0]=3 7192 B9R0.24 CCC(C)SC[C@@H](O)CO 62a_100009815848_100000758301 [1,1,0,0,0,0|1,0,0]=3 7193 B9R0.24 CCC(O)CNC(C)CC 2230a_100000209981_100011218378 [1,1,0,0,0,0|2,0,0]=4 7194 B9R0.24 CCC(O)CNC(C)CC 2230a_100011218483_100000758301 [1,1,0,0,0,0|2,0,0]=4 7195 B9R0.24 CCC(O)CNC(C)CO 2230a_100011218483_100012180447 [1,1,0,0,0,0|2,0,0]=4 7196 B9R0.24 CCC(O)CN[C@H](C)CO 2230a_100000737577_100011218378 [1,1,0,0,0,0|2,0,0]=4 7197 B9R0.24 CCC(O)COC(C)CC 7a_100000210228_100011218378 [1,1,0,0,0,0|2,0,0]=4 7198 B9R0.24 CCC(O)CSC(C)CC 62a_100000758301_100011218378 [1,1,0,0,0,0|2,0,0]=4 7199 B9R0.24 CCC(O)CSC(C)CC 62a_100011218378_100000758301 [1,1,0,0,0,0|2,0,0]=4 7200 B9R0.24 CCC(O)CSC(C)CO 62a_100012180447_100011218378 [1,1,0,0,0,0|2,0,0]=4 7201 B9R0.24 CCC(O)CS[C@H](C)CO 62a_100011218378_100016084084 [1,1,0,0,0,0|2,0,0]=4 7202 B9R0.24 CCC(O)CS[C@H](C)CO 62a_100016084084_100011218378 [1,1,0,0,0,0|2,0,0]=4 7203 B9R0.24 CC[C@H](C)CN[C@H](C)CO 2230a_100000737577_100009816398 [1,1,0,0,0,0|2,0,0]=4 7204 B9R0.24 CC[C@H](C)COC(C)CO 7a_100009816381_100012180447 [1,1,0,0,0,0|2,0,0]=4 7205 B9R0.24 CC[C@H](C)CSC(C)CO 62a_100012180447_100009816398 [1,1,0,0,0,0|2,0,0]=4 7206 B9R0.24 CC[C@H](C)CS[C@H](C)CO 62a_100009816398_100016084084 [1,1,0,0,0,0|2,0,0]=4 7207 B9R0.24 CC[C@H](C)CS[C@H](C)CO 62a_100016084084_100009816398 [1,1,0,0,0,0|2,0,0]=4 7208 B9R0.24 COC(C)SCC(O)CO 62a_100009879195_100011219619 [1,1,0,0,0,0|2,0,0]=4 7209 B9R0.24 COC(C)SCC(O)CO 62a_100011219619_100009879195 [1,1,0,0,0,0|2,0,0]=4 7210 B9R0.24 COC(C)SC[C@@H](O)CO 62a_100009815848_100009879195 [1,1,0,0,0,0|2,0,0]=4 7211 B9R0.24 COC(C)SC[C@@H](O)CO 62a_100009879195_100009815848 [1,1,0,0,0,0|2,0,0]=4 7212 B9R0.24 C[C@H](CO)NCC(O)CO 2230a_100000737577_100011219619 [1,1,0,0,0,0|2,0,0]=4 7213 B9R0.24 C[C@H](CO)NC[C@@H](O)CO 2230a_100000737577_100009815848 [1,1,0,0,0,0|2,0,0]=4 7214 B9R0.24 C[C@H](CO)SCC(O)CO 62a_100011219619_100016084084 [1,1,0,0,0,0|2,0,0]=4 7215 B9R0.24 C[C@H](CO)SCC(O)CO 62a_100016084084_100011219619 [1,1,0,0,0,0|2,0,0]=4 7216 B9R0.24 C[C@H](CO)SC[C@@H](O)CO 62a_100009815848_100016084084 [1,1,0,0,0,0|2,0,0]=4 7217 B9R0.24 C[C@H](CO)SC[C@@H](O)CO 62a_100016084084_100009815848 [1,1,0,0,0,0|2,0,0]=4 7218 B9R0.34 CCCC(=O)CC(O)CC 1458a_100000211992_100011218378 [1,1,0,0,0,0|1,0,1]=4 7219 B9R0.34 CCCC(=O)CC(O)CC 1458a_100011667805_100000210303 [1,1,0,0,0,0|1,0,1]=4 7220 B9R0.34 CCCC(=O)C[C@@H](C)CO 1458a_100000211992_100000059175 [1,1,0,0,0,0|1,0,1]=4 7221 B9R0.34 CCCC(C)CC(=O)CO 1458a_100000210174_100011216630 [1,1,0,0,0,0|0,0,2]=4 7222 B9R0.34 CCCC(C)NC(C)CO 2230a_100000741246_100012180447 [1,1,0,0,0,0|2,0,0]=4 7223 B9R0.34 CCCC(C)N[C@H](C)CO 2230a_100000737577_100000766640 [1,1,0,0,0,0|2,0,0]=4 7224 B9R0.34 CCCC(C)N[C@H](C)CO 270004a_100000737577_100000211909 [1,1,0,0,0,0|2,0,0]=4 7225 B9R0.34 CCCC(C)OC(C)CO 34a_100000764384_100012180447 [1,1,0,0,0,0|2,0,0]=4 7226 B9R0.34 CCCC(C)OC(C)CO 7a_100000764384_100012180447 [1,1,0,0,0,0|2,0,0]=4 7227 B9R0.34 CCCC(C)SC(C)CO 62a_100012180447_100000766640 [1,1,0,0,0,0|2,0,0]=4 7228 B9R0.34 CCCC(C)S[C@H](C)CO 62a_100000766640_100016084084 [1,1,0,0,0,0|2,0,0]=4 7229 B9R0.34 CCCC(C)S[C@H](C)CO 62a_100016084084_100000766640 [1,1,0,0,0,0|2,0,0]=4 7230 B9R0.34 CCCN(C)CC(O)CC 2230a_100000747261_100011218378 [1,1,0,0,0,0|2,0,0]=4 7231 B9R0.34 CCCN(C)CC(O)CC 269982a_100000747261_100011218378 [1,1,0,0,0,0|2,0,0]=4 7232 B9R0.34 CCCN(C)CC(O)CO 2230a_100000747261_100011219619 [1,1,0,0,0,0|1,0,0]=3 7233 B9R0.34 CCCN(C)CC(O)CO 2230a_100011216503_100000210303 [1,1,0,0,0,0|1,0,0]=3 7234 B9R0.34 CCCN(C)CC(O)CO 2230a_200000156893_200000210301 [1,1,0,0,0,0|1,0,0]=3 7235 B9R0.34 CCCN(C)CC(O)CO 269982a_100011216503_100000210303 [1,1,0,0,0,0|1,0,0]=3 7236 B9R0.34 CCCN(C)CC(O)CO 269982a_200000156893_200000210301 [1,1,0,0,0,0|1,0,0]=3 7237 B9R0.34 CCCN(C)C[C@@H](C)CO 2230a_100000747261_100000059175 [1,1,0,0,0,0|2,0,0]=4 7238 B9R0.34 CCCN(C)C[C@@H](C)CO 269982a_100000747261_100000059175 [1,1,0,0,0,0|2,0,0]=4 7239 B9R0.34 CCCN(C)C[C@@H](O)CF 2230a_100000747261_100015614560 [1,1,0,0,0,0|2,0,0]=4 7240 B9R0.34 CCCN(C)C[C@@H](O)CO 2230a_100000747261_100009815848 [1,1,0,0,0,0|1,0,0]=3 7241 B9R0.34 CCCN([13CH3])CC(O)CO 2230a_200000156893_200025704644 [1,1,0,0,0,0|1,0,0]=3 7242 B9R0.34 CCCN([13CH3])CC(O)CO 269982a_200000156893_200025704644 [1,1,0,0,0,0|1,0,0]=3 7243 B9R0.34 CN(CCF)CC(O)CO 2230a_100011216503_100011217306 [1,1,0,0,0,0|2,0,0]=4 7244 B9R0.34 CN(CCF)CC(O)CO 269982a_100011216503_100011217306 [1,1,0,0,0,0|2,0,0]=4 7245 B9R0.34 CN(CCO)CC(O)CO 2230a_100000210263_100011219619 [1,1,0,0,0,0|2,0,0]=4 7246 B9R0.34 CN(CCO)CC(O)CO 2230a_100011216503_100000211926 [1,1,0,0,0,0|2,0,0]=4 7247 B9R0.34 CN(CCO)CC(O)CO 269982a_100011216503_100000211926 [1,1,0,0,0,0|2,0,0]=4 7248 B9R0.34 CN(CCO)C[C@@H](O)CO 2230a_100000210263_100009815848 [1,1,0,0,0,0|2,0,0]=4 7249 B9R0.34 COCN(C)CC(O)CO 2230a_100011216503_100000766300 [1,1,0,0,0,0|2,0,0]=4 7250 B9R0.34 COCN(C)CC(O)CO 269982a_100011216503_100000766300 [1,1,0,0,0,0|2,0,0]=4 7251 B9R0.34 CSCN(C)CC(O)CO 2230a_100011216503_100011218213 [1,1,0,0,0,0|2,0,0]=4 7252 B9R0.34 CSCN(C)CC(O)CO 269982a_100011216503_100011218213 [1,1,0,0,0,0|2,0,0]=4 7253 B9R0.47 CCCCCC(=O)C(O)O 1458a_100000233687_100000210326 [1,1,0,0,0,0|0,0,2]=4 7254 B9R0.47 CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210326 [1,1,0,0,0,0|0,0,2]=4 7255 B9R0.47 CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210326 [1,1,0,0,0,0|0,0,2]=4 7256 B9R0.47 CCCNCC(O)C(C)C 2230a_100000759067_100000210303 [1,1,0,0,0,0|2,0,0]=4 7257 B9R0.47 CCCNCC(O)C(C)C 34a_100000759067_100000210303 [1,1,0,0,0,0|2,0,0]=4 7258 B9R0.50 C#CC(CCCCC)OC 34a_100011216489_200000210301 [1,1,0,0,0,0|1,0,1]=4 7259 B9R0.50 C#CC(CCCCC)OC 7a_100011216489_200000210301 [1,1,0,0,0,0|1,0,1]=4 7260 B9R0.50 C#CC(CCCCC)O[13CH3] 34a_100011216489_200025704644 [1,1,0,0,0,0|1,0,1]=4 7261 B9R0.50 C#CC(CCCCC)O[13CH3] 7a_100011216489_200025704644 [1,1,0,0,0,0|1,0,1]=4 7262 B9R0.50 C=CC(CCCCC)OC 34a_100011216863_200000210301 [1,1,0,0,0,0|1,0,1]=4 7263 B9R0.50 C=CC(CCCCC)OC 7a_100011216863_200000210301 [1,1,0,0,0,0|1,0,1]=4 7264 B9R0.50 C=CC(CCCCC)O[13CH3] 34a_100011216863_200025704644 [1,1,0,0,0,0|1,0,1]=4 7265 B9R0.50 C=CC(CCCCC)O[13CH3] 7a_100011216863_200025704644 [1,1,0,0,0,0|1,0,1]=4 7266 B9R0.50 C=C[C@@H](CO)NCCCC 2230a_100016989147_100000210211 [1,1,0,0,0,0|2,0,0]=4 7267 B9R0.50 C=C[C@@H](CO)NCCCC 34a_100016989147_100000210210 [1,1,0,0,0,0|2,0,0]=4 7268 B9R0.50 CCCCCC(CC)NC 270004a_106832991635_100011215316 [1,1,0,0,0,0|2,0,0]=4 7269 B9R0.50 CCCCCC(CC)OC 34a_100011215405_200000210301 [1,1,0,0,0,0|1,0,0]=3 7270 B9R0.50 CCCCCC(CC)OC 7a_100011215405_200000210301 [1,1,0,0,0,0|1,0,0]=3 7271 B9R0.50 CCCCCC(CC)O[13CH3] 34a_100011215405_200025704644 [1,1,0,0,0,0|1,0,0]=3 7272 B9R0.50 CCCCCC(CC)O[13CH3] 7a_100011215405_200025704644 [1,1,0,0,0,0|1,0,0]=3 7273 B9R0.50 CCCCNC(CO)CO 2230a_100000759517_100000210211 [1,1,0,0,0,0|1,0,0]=3 7274 B9R0.50 CCCCN[C@@H](CC)CO 2230a_100000709445_100000210211 [1,1,0,0,0,0|2,0,0]=4 7275 B9R0.50 CCCOCC(CC)OC 34a_100011934954_100000210303 [1,1,0,0,0,0|2,0,0]=4 7276 B9R0.50 CCCOCC(CC)OC 7a_100011934954_100000210303 [1,1,0,0,0,0|2,0,0]=4 7277 B9R0.50 COCCNC(CO)CO 2230a_100000759517_100011201679 [1,1,0,0,0,0|2,0,0]=4 7278 B9R0.50 CSCCNC(CO)CO 2230a_100000759517_100000751147 [1,1,0,0,0,0|2,0,0]=4 7279 B9R0.50 OCC(CO)NCCCF 2230a_100000759517_100011934791 [1,1,0,0,0,0|2,0,0]=4 7280 B9R0.50 OCCCNC(CO)CO 2230a_100000759517_100000230001 [1,1,0,0,0,0|2,0,0]=4 7281 B9R0.4 CC(C)C[C@H](N)CCO[13CH3] 34a_100161151251_200025704644 [1,1,0,0,0,0|2,0,0]=4 7282 B9R0.4 CC(O)CN(C)CCCF 2230a_100000227577_100011934791 [1,1,0,0,0,0|2,0,0]=4 7283 B9R0.4 CC(O)CN(C)CCCF 269982a_100000227577_100011934791 [1,1,0,0,0,0|2,0,0]=4 7284 B9R0.4 CC(O)CN(C)CCCO 2230a_100000213112_100011218427 [1,1,0,0,0,0|2,0,0]=4 7285 B9R0.4 CC(O)CN(C)CCCO 2230a_100000227577_100000230001 [1,1,0,0,0,0|2,0,0]=4 7286 B9R0.4 CC(O)CN(C)CCCO 269982a_100000213112_100011218427 [1,1,0,0,0,0|2,0,0]=4 7287 B9R0.4 CC(O)CN(C)CCCO 269982a_100000227577_100011215043 [1,1,0,0,0,0|2,0,0]=4 7288 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210183_100000210624 [1,1,0,0,0,0|1,0,1]=4 7289 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210554_100000210211 [1,1,0,0,0,0|1,0,1]=4 7290 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [1,1,0,0,0,0|0,0,1]=3 7291 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [1,1,0,0,0,0|0,0,1]=3 7292 B9R0.4 CCCCC(C)NC(C)C 2230a_100000126638_100000210206 [1,1,0,0,0,0|2,0,0]=4 7293 B9R0.4 CCCCC(C)NC(C)C 2230a_100138425928_200011215066 [1,1,0,0,0,0|2,0,0]=4 7294 B9R0.4 CCCCC(C)NC(C)C 34a_100138425928_200011215066 [1,1,0,0,0,0|2,0,0]=4 7295 B9R0.4 CCCCC(C)OC(C)C 34a_100000212225_200011215066 [1,1,0,0,0,0|2,0,0]=4 7296 B9R0.4 CCCCC(C)OC(C)C 34a_100000687866_100000210206 [1,1,0,0,0,0|2,0,0]=4 7297 B9R0.4 CCCCC(C)OC(C)C 7a_100000687866_100000210206 [1,1,0,0,0,0|2,0,0]=4 7298 B9R0.4 CCCCC(C)SC(C)C 62a_100000210206_200011215066 [1,1,0,0,0,0|2,0,0]=4 7299 B9R0.4 CCCCC(C)SC(C)C 62a_200011215066_100000210206 [1,1,0,0,0,0|2,0,0]=4 7300 B9R0.4 CCCCN(C)CC(C)C 2230a_100000207549_100000210760 [1,1,0,0,0,0|2,0,0]=4 7301 B9R0.4 CCCCN(C)CC(C)C 2230a_100000747067_100000210211 [1,1,0,0,0,0|2,0,0]=4 7302 B9R0.4 CCCCN(C)CC(C)C 269982a_100000207549_100000210624 [1,1,0,0,0,0|2,0,0]=4 7303 B9R0.4 CCCCN(C)CC(C)C 269982a_100000747067_100000210211 [1,1,0,0,0,0|2,0,0]=4 7304 B9R0.4 CCCCN(C)CC(C)C 270004a_100000207549_100000210432 [1,1,0,0,0,0|2,0,0]=4 7305 B9R0.4 CCCCN(C)CC(C)O 2230a_100000207549_100011218427 [1,1,0,0,0,0|1,0,0]=3 7306 B9R0.4 CCCCN(C)CC(C)O 2230a_100000227577_100000210211 [1,1,0,0,0,0|1,0,0]=3 7307 B9R0.4 CCCCN(C)CC(C)O 269982a_100000207549_100011218427 [1,1,0,0,0,0|1,0,0]=3 7308 B9R0.4 CCCCN(C)CC(C)O 269982a_100000227577_100000210211 [1,1,0,0,0,0|1,0,0]=3 7309 B9R0.4 CCCCN(C)C[C@@H](C)O 2230a_100000207549_100009817552 [1,1,0,0,0,0|1,0,0]=3 7310 B9R0.4 CCCCN(C)C[C@@H](C)O 269982a_100000207549_100009817552 [1,1,0,0,0,0|1,0,0]=3 7311 B9R0.4 CCCNC(=O)C[C@@H](C)O 240690a_100020643023_100011933948 [1,1,0,0,0,0|1,0,1]=4 7312 B9R0.4 CCCNC(C)CC(C)C 2230a_100000692259_100000210303 [1,1,0,0,0,0|2,0,0]=4 7313 B9R0.4 CCCOC(C)CC(C)C 34a_100000210258_100000731052 [1,1,0,0,0,0|2,0,0]=4 7314 B9R0.4 CCCOC(C)CC(C)C 34a_100000211805_100000210303 [1,1,0,0,0,0|2,0,0]=4 7315 B9R0.4 CCCOC(C)CC(C)C 7a_100000211805_100000210303 [1,1,0,0,0,0|2,0,0]=4 7316 B9R0.4 CCCSC(C)CC(C)C 62a_100000210303_100000731052 [1,1,0,0,0,0|2,0,0]=4 7317 B9R0.4 CCCSC(C)CC(C)C 62a_100000731052_100000210303 [1,1,0,0,0,0|2,0,0]=4 7318 B9R0.4 CCOCC(=O)CC(C)O 1458a_100000211967_100011218427 [1,1,0,0,0,0|1,0,1]=4 7319 B9R0.4 CCOCN(C)CC(C)O 269982a_100000227577_100000739092 [1,1,0,0,0,0|2,0,0]=4 7320 B9R0.4 CCOC[C@@H](N)CC(C)C 34a_100011830311_100000210202 [1,1,0,0,0,0|2,0,0]=4 7321 B9R0.4 CCSCC(=O)CC(C)O 1458a_100000230394_100011218427 [1,1,0,0,0,0|1,0,1]=4 7322 B9R0.4 COCCC(=O)CC(C)O 1458a_100000749529_100011218427 [1,1,0,0,0,0|1,0,1]=4 7323 B9R0.4 COCCC(=O)C[C@@H](C)O 1458a_100011933948_100000233755 [1,1,0,0,0,0|1,0,1]=4 7324 B9R0.4 COCCN(C)CC(C)O 2230a_100000227577_100011201679 [1,1,0,0,0,0|2,0,0]=4 7325 B9R0.4 COCCN(C)CC(C)O 2230a_100000743101_100011218427 [1,1,0,0,0,0|2,0,0]=4 7326 B9R0.4 COCCN(C)CC(C)O 269982a_100000227577_100000233755 [1,1,0,0,0,0|2,0,0]=4 7327 B9R0.4 COCCN(C)CC(C)O 269982a_100000743101_100011218427 [1,1,0,0,0,0|2,0,0]=4 7328 B9R0.4 COCCN(C)C[C@@H](C)O 2230a_100000743101_100009817552 [1,1,0,0,0,0|2,0,0]=4 7329 B9R0.4 COCCN(C)C[C@@H](C)O 269982a_100000743101_100009817552 [1,1,0,0,0,0|2,0,0]=4 7330 B9R0.4 COCC[C@@H](N)CC(C)C 34a_100161151251_200000210301 [1,1,0,0,0,0|2,0,0]=4 7331 B9R0.4 CSCCC(=O)CC(C)O 1458a_100000174002_100011218427 [1,1,0,0,0,0|1,0,1]=4 7332 B9R0.4 CSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000751147 [1,1,0,0,0,0|1,0,1]=4 7333 B9R0.4 CSCCN(C)CC(C)O 2230a_100000227577_100000751147 [1,1,0,0,0,0|2,0,0]=4 7334 B9R0.4 CSCCN(C)CC(C)O 2230a_100000686725_100011218427 [1,1,0,0,0,0|2,0,0]=4 7335 B9R0.4 CSCCN(C)CC(C)O 269982a_100000227577_100000212216 [1,1,0,0,0,0|2,0,0]=4 7336 B9R0.4 CSCCN(C)CC(C)O 269982a_100000686725_100011218427 [1,1,0,0,0,0|2,0,0]=4 7337 B9R0.4 CSCCN(C)C[C@@H](C)O 2230a_100000686725_100009817552 [1,1,0,0,0,0|2,0,0]=4 7338 B9R0.4 CSCCN(C)C[C@@H](C)O 269982a_100000686725_100009817552 [1,1,0,0,0,0|2,0,0]=4 7339 B9R0.4 C[C@@H](O)CC(=O)CCCF 1458a_100011933948_100011934791 [1,1,0,0,0,0|1,0,1]=4 7340 B9R0.4 C[C@@H](O)CC(=O)CCCO 1458a_100011933948_100011215043 [1,1,0,0,0,0|1,0,1]=4 7341 B9R0.4 C[C@@H](O)CN(C)CCCO 2230a_100000213112_100009817552 [1,1,0,0,0,0|2,0,0]=4 7342 B9R0.4 C[C@@H](O)CN(C)CCCO 269982a_100000213112_100009817552 [1,1,0,0,0,0|2,0,0]=4 7343 B9R0.38 CC(C)(O)CCCSCF 62a_100009888830_100015361967 [1,1,0,0,0,0|2,0,0]=4 7344 B9R0.38 CC(C)(O)CCCSCF 62a_100015361967_100009888830 [1,1,0,0,0,0|2,0,0]=4 7345 B9R0.38 CC(C)(O)CCNCCF 34a_100000724931_100000702414 [1,1,0,0,0,0|2,0,0]=4 7346 B9R0.38 CC(C)(O)CCNCCO 2230a_100016997473_100000702414 [1,1,0,0,0,0|2,0,0]=4 7347 B9R0.38 CC(C)(O)CCNCCO 34a_100016990907_100000702414 [1,1,0,0,0,0|2,0,0]=4 7348 B9R0.38 CC(C)(O)CCOCCBr 34a_100000211926_100000702414 [1,1,0,0,0,0|2,0,0]=4 7349 B9R0.38 CC(C)(O)CCOCCN 34a_100000210304_100000702414 [1,1,0,0,0,0|2,0,0]=4 7350 B9R0.38 CC(C)(O)CCSCCF 62a_100000702414_100011217306 [1,1,0,0,0,0|2,0,0]=4 7351 B9R0.38 CC(C)(O)CCSCCF 62a_100011217306_100000702414 [1,1,0,0,0,0|2,0,0]=4 7352 B9R0.38 CC(C)(O)CCSCCO 62a_100000211926_100000702414 [1,1,0,0,0,0|2,0,0]=4 7353 B9R0.38 CC(C)(O)CCSCCO 62a_100000702414_100000211926 [1,1,0,0,0,0|2,0,0]=4 7354 B9R0.38 CC(C)(O)CNCCCF 2230a_100000751335_100011934791 [1,1,0,0,0,0|2,0,0]=4 7355 B9R0.38 CC(C)(O)CNCCCF 34a_100015189416_100000764493 [1,1,0,0,0,0|2,0,0]=4 7356 B9R0.38 CC(C)(O)CNCCCO 2230a_100000751335_100000230001 [1,1,0,0,0,0|2,0,0]=4 7357 B9R0.38 CC(C)(O)COCCCBr 34a_100011217188_100000764493 [1,1,0,0,0,0|2,0,0]=4 7358 B9R0.38 CC(C)(O)COCCCCl 34a_100000230001_100000764493 [1,1,0,0,0,0|2,0,0]=4 7359 B9R0.38 CC(C)(O)COCCCF 34a_100000759539_100000764493 [1,1,0,0,0,0|2,0,0]=4 7360 B9R0.38 CC(C)(O)COCCCN 34a_100000182051_100000764493 [1,1,0,0,0,0|2,0,0]=4 7361 B9R0.38 CC(C)(O)CSCCCF 62a_100000764493_100011934791 [1,1,0,0,0,0|2,0,0]=4 7362 B9R0.38 CC(C)(O)CSCCCF 62a_100011934791_100000764493 [1,1,0,0,0,0|2,0,0]=4 7363 B9R0.38 CC(C)(O)CSCCCO 62a_100000764493_100011215043 [1,1,0,0,0,0|2,0,0]=4 7364 B9R0.38 CC(C)(O)CSCCCO 62a_100011215043_100000764493 [1,1,0,0,0,0|2,0,0]=4 7365 B9R0.38 CCCCCNC(C)(C)C 2230a_100000715429_100000210326 [1,1,0,0,0,0|2,0,0]=4 7366 B9R0.38 CCCCCOC(C)(C)C 34a_100000210253_100000210625 [1,1,0,0,0,0|2,0,0]=4 7367 B9R0.38 CCCCCOC(C)(C)C 34a_100015890283_100000718602 [1,1,0,0,0,0|2,0,0]=4 7368 B9R0.38 CCCCCOC(C)(C)C 7a_100015890283_100000210326 [1,1,0,0,0,0|2,0,0]=4 7369 B9R0.38 CCCCCSC(C)(C)C 62a_100000210326_100000211941 [1,1,0,0,0,0|2,0,0]=4 7370 B9R0.38 CCCCCSC(C)(C)C 62a_100000211941_100000210326 [1,1,0,0,0,0|2,0,0]=4 7371 B9R0.38 CCCCNCC(C)(C)C 2230a_100000743828_100000210211 [1,1,0,0,0,0|2,0,0]=4 7372 B9R0.38 CCCCNCC(C)(C)C 270004a_100000102301_100011204126 [1,1,0,0,0,0|2,0,0]=4 7373 B9R0.38 CCCCNCC(C)(C)F 2230a_100020643315_100000210211 [1,1,0,0,0,0|2,0,0]=4 7374 B9R0.38 CCCCNCC(C)(C)O 2230a_100000751335_100000210211 [1,1,0,0,0,0|1,0,0]=3 7375 B9R0.38 CCCCNCC(C)(C)O 7a_106832991798_100000764493 [1,1,0,0,0,0|1,0,0]=3 7376 B9R0.38 CCCCOCC(C)(C)C 34a_100000210227_100011219605 [1,1,0,0,0,0|2,0,0]=4 7377 B9R0.38 CCCCOCC(C)(C)F 34a_100000210227_100011997219 [1,1,0,0,0,0|2,0,0]=4 7378 B9R0.38 CCCCOCC(C)(C)F 34a_100000716592_100000210210 [1,1,0,0,0,0|2,0,0]=4 7379 B9R0.38 CCCCOCC(C)(C)O 34a_100000210227_100000764493 [1,1,0,0,0,0|1,0,0]=3 7380 B9R0.38 CCCCOCC(C)(C)O 7a_100000210227_100000764493 [1,1,0,0,0,0|1,0,0]=3 7381 B9R0.38 CCCCOCC(C)(F)F 34a_100000068830_100000210210 [1,1,0,0,0,0|2,0,0]=4 7382 B9R0.38 CCCCSCC(C)(C)C 62a_100000210211_100011219605 [1,1,0,0,0,0|2,0,0]=4 7383 B9R0.38 CCCCSCC(C)(C)C 62a_100011219605_100000210210 [1,1,0,0,0,0|2,0,0]=4 7384 B9R0.38 CCCCSCC(C)(C)F 62a_100000210211_100011997219 [1,1,0,0,0,0|2,0,0]=4 7385 B9R0.38 CCCCSCC(C)(C)F 62a_100011997219_100000210210 [1,1,0,0,0,0|2,0,0]=4 7386 B9R0.38 CCCCSCC(C)(C)O 62a_100000210211_100000764493 [1,1,0,0,0,0|1,0,0]=3 7387 B9R0.38 CCCCSCC(C)(C)O 62a_100000764493_100000210210 [1,1,0,0,0,0|1,0,0]=3 7388 B9R0.38 CCCNCCC(C)(C)C 2230a_100000738805_100000210303 [1,1,0,0,0,0|2,0,0]=4 7389 B9R0.38 CCCNCCC(C)(C)F 2230a_100016253952_100000210303 [1,1,0,0,0,0|2,0,0]=4 7390 B9R0.38 CCCOCCC(C)(C)C 34a_100000210258_100000755188 [1,1,0,0,0,0|2,0,0]=4 7391 B9R0.38 CCCOCCC(C)(C)C 7a_100000765024_100000210303 [1,1,0,0,0,0|2,0,0]=4 7392 B9R0.38 CCCOCCC(C)(C)O 34a_100000210258_100000702414 [1,1,0,0,0,0|1,0,0]=3 7393 B9R0.38 CCCSCCC(C)(C)C 62a_100000210303_100000755188 [1,1,0,0,0,0|2,0,0]=4 7394 B9R0.38 CCCSCCC(C)(C)C 62a_100000755188_100000210303 [1,1,0,0,0,0|2,0,0]=4 7395 B9R0.38 CCCSCCC(C)(C)O 62a_100000210303_100000702414 [1,1,0,0,0,0|1,0,0]=3 7396 B9R0.38 CCCSCCC(C)(C)O 62a_100000702414_100000210303 [1,1,0,0,0,0|1,0,0]=3 7397 B9R0.38 CCNCCCC(C)(C)O 2230a_100015525214_100009888830 [1,1,0,0,0,0|1,0,0]=3 7398 B9R0.38 CCOCCCC(C)(C)O 34a_100121572206_100009888830 [1,1,0,0,0,0|1,0,0]=3 7399 B9R0.38 CCOCSCC(C)(C)O 62a_100000739092_100000764493 [1,1,0,0,0,0|2,0,0]=4 7400 B9R0.38 CCOCSCC(C)(C)O 62a_100000764493_100000739092 [1,1,0,0,0,0|2,0,0]=4 7401 B9R0.38 CCSCCCC(C)(C)O 62a_100000210202_100009888830 [1,1,0,0,0,0|1,0,0]=3 7402 B9R0.38 CCSCCCC(C)(C)O 62a_100009888830_100000210202 [1,1,0,0,0,0|1,0,0]=3 7403 B9R0.38 COCCNCC(C)(C)O 2230a_100000751335_100011201679 [1,1,0,0,0,0|2,0,0]=4 7404 B9R0.38 COCCOCC(C)(C)O 34a_100000210237_100000764493 [1,1,0,0,0,0|2,0,0]=4 7405 B9R0.38 COCCSCC(C)(C)O 62a_100000233755_100000764493 [1,1,0,0,0,0|2,0,0]=4 7406 B9R0.38 COCCSCC(C)(C)O 62a_100000764493_100000233755 [1,1,0,0,0,0|2,0,0]=4 7407 B9R0.38 COCSCCC(C)(C)O 62a_100000702414_100000766300 [1,1,0,0,0,0|2,0,0]=4 7408 B9R0.38 COCSCCC(C)(C)O 62a_100000766300_100000702414 [1,1,0,0,0,0|2,0,0]=4 7409 B9R0.38 CSCCNCC(C)(C)O 2230a_100000751335_100000751147 [1,1,0,0,0,0|2,0,0]=4 7410 B9R0.38 CSCCOCC(C)(C)O 34a_100000230434_100000764493 [1,1,0,0,0,0|2,0,0]=4 7411 B9R0.38 CSCCOCC(C)(C)O 7a_100000230434_100000764493 [1,1,0,0,0,0|2,0,0]=4 7412 B9R0.38 CSCCSCC(C)(C)O 62a_100000212216_100000764493 [1,1,0,0,0,0|2,0,0]=4 7413 B9R0.38 CSCCSCC(C)(C)O 62a_100000764493_100000751147 [1,1,0,0,0,0|2,0,0]=4 7414 B9R0.38 CSCSCCC(C)(C)O 62a_100000702414_100011218213 [1,1,0,0,0,0|2,0,0]=4 7415 B9R0.38 CSCSCCC(C)(C)O 62a_100011218213_100000702414 [1,1,0,0,0,0|2,0,0]=4 7416 B9R0.48 CC(CCBr)OC[C@@H](C)O 34a_100012276601_100009817552 [1,1,0,0,0,0|2,0,0]=4 7417 B9R0.48 CC(CCO)SC[C@@H](C)O 62a_100009817552_100009893172 [1,1,0,0,0,0|2,0,0]=4 7418 B9R0.48 CC(CCO)SC[C@@H](C)O 62a_100009893172_100009817552 [1,1,0,0,0,0|2,0,0]=4 7419 B9R0.48 CC(O)CCC(=O)CCO 1458a_100011216618_100012276601 [1,1,0,0,0,0|1,0,1]=4 7420 B9R0.48 CC(O)CCN(C)CCO 2230a_100000210263_100012276601 [1,1,0,0,0,0|2,0,0]=4 7421 B9R0.48 CC(O)CCN(C)CCO 269982a_100000210263_100012276601 [1,1,0,0,0,0|2,0,0]=4 7422 B9R0.48 CC(O)CNC(C)CCO 2230a_100000210904_100009893172 [1,1,0,0,0,0|2,0,0]=4 7423 B9R0.48 CC(O)CNC(C)CCO 34a_100000210904_100009893172 [1,1,0,0,0,0|2,0,0]=4 7424 B9R0.48 CC(O)CN[C@H](C)CCO 2230a_100000706166_100011218427 [1,1,0,0,0,0|2,0,0]=4 7425 B9R0.48 CC(O)CN[C@H](C)CCO 34a_100000706166_100011218427 [1,1,0,0,0,0|2,0,0]=4 7426 B9R0.48 CC(O)COC(C)CCBr 34a_100012276601_100011218427 [1,1,0,0,0,0|2,0,0]=4 7427 B9R0.48 CC(O)CSC(C)CCO 62a_100009893172_100011218427 [1,1,0,0,0,0|2,0,0]=4 7428 B9R0.48 CC(O)CSC(C)CCO 62a_100011218427_100009893172 [1,1,0,0,0,0|2,0,0]=4 7429 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000181311_100000210303 [1,1,0,0,0,0|1,0,1]=4 7430 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000211992_100000210312 [1,1,0,0,0,0|1,0,1]=4 7431 B9R0.48 CCCC(=O)CCC(C)O 1458a_100000211992_100012276601 [1,1,0,0,0,0|0,0,1]=3 7432 B9R0.48 CCCC(=O)NCC(C)O 11a_100000210904_100000211992 [1,1,0,0,0,0|1,0,1]=4 7433 B9R0.48 CCCC(=O)NCC(C)O 240690a_100000210904_100000211992 [1,1,0,0,0,0|1,0,1]=4 7434 B9R0.48 CCCC(=O)NCC(C)O 527a_100000210904_100000211992 [1,1,0,0,0,0|1,0,1]=4 7435 B9R0.48 CCCC(C)CNC(C)C 2230a_100138425928_100011216630 [1,1,0,0,0,0|2,0,0]=4 7436 B9R0.48 CCCC(C)CNC(C)C 34a_100138425928_100011216630 [1,1,0,0,0,0|2,0,0]=4 7437 B9R0.48 CCCC(C)COC(C)C 34a_100000212225_100011216630 [1,1,0,0,0,0|2,0,0]=4 7438 B9R0.48 CCCC(C)COC(C)C 34a_100000688023_100000210206 [1,1,0,0,0,0|2,0,0]=4 7439 B9R0.48 CCCC(C)COC(C)C 7a_100000688023_100000210206 [1,1,0,0,0,0|2,0,0]=4 7440 B9R0.48 CCCC(C)CSC(C)C 62a_100000210206_100011216630 [1,1,0,0,0,0|2,0,0]=4 7441 B9R0.48 CCCC(C)CSC(C)C 62a_100011216630_100000210206 [1,1,0,0,0,0|2,0,0]=4 7442 B9R0.48 CCCC(C)NCC(C)C 2230a_100000210953_100000766640 [1,1,0,0,0,0|2,0,0]=4 7443 B9R0.48 CCCC(C)NCC(C)C 2230a_100000741246_100000210760 [1,1,0,0,0,0|2,0,0]=4 7444 B9R0.48 CCCC(C)NCC(C)C 270004a_100000210953_100000211909 [1,1,0,0,0,0|2,0,0]=4 7445 B9R0.48 CCCC(C)NCC(C)C 270004a_100000741246_100000210432 [1,1,0,0,0,0|2,0,0]=4 7446 B9R0.48 CCCC(C)NCC(C)C 34a_100000210953_100000766640 [1,1,0,0,0,0|2,0,0]=4 7447 B9R0.48 CCCC(C)NCC(C)O 2230a_100000210904_100000766640 [1,1,0,0,0,0|1,0,0]=3 7448 B9R0.48 CCCC(C)NCC(C)O 2230a_100000741246_100011218427 [1,1,0,0,0,0|1,0,0]=3 7449 B9R0.48 CCCC(C)NCC(C)O 270004a_100000210904_100000211909 [1,1,0,0,0,0|1,0,0]=3 7450 B9R0.48 CCCC(C)NCC(C)O 34a_100000210904_100000766640 [1,1,0,0,0,0|1,0,0]=3 7451 B9R0.48 CCCC(C)NC[C@@H](C)O 2230a_100000741246_100009817552 [1,1,0,0,0,0|1,0,0]=3 7452 B9R0.48 CCCC(C)OCC(C)Br 34a_100012180447_100000766640 [1,1,0,0,0,0|2,0,0]=4 7453 B9R0.48 CCCC(C)OCC(C)C 34a_100000210257_100000766640 [1,1,0,0,0,0|2,0,0]=4 7454 B9R0.48 CCCC(C)OCC(C)C 34a_100000764384_100000210624 [1,1,0,0,0,0|2,0,0]=4 7455 B9R0.48 CCCC(C)OCC(C)C 7a_100000764384_100000210760 [1,1,0,0,0,0|2,0,0]=4 7456 B9R0.48 CCCC(C)OCC(C)F 34a_100015925927_100000766640 [1,1,0,0,0,0|2,0,0]=4 7457 B9R0.48 CCCC(C)OCC(C)O 34a_100000764384_100011218427 [1,1,0,0,0,0|1,0,0]=3 7458 B9R0.48 CCCC(C)OCC(C)O 7a_100000764384_100011218427 [1,1,0,0,0,0|1,0,0]=3 7459 B9R0.48 CCCC(C)OC[C@@H](C)Cl 34a_100016084084_100000766640 [1,1,0,0,0,0|2,0,0]=4 7460 B9R0.48 CCCC(C)OC[C@@H](C)N 34a_100000737577_100000766640 [1,1,0,0,0,0|2,0,0]=4 7461 B9R0.48 CCCC(C)OC[C@@H](C)O 34a_100000764384_100009817552 [1,1,0,0,0,0|1,0,0]=3 7462 B9R0.48 CCCC(C)OC[C@@H](C)O 7a_100000764384_100009817552 [1,1,0,0,0,0|1,0,0]=3 7463 B9R0.48 CCCC(C)SCC(C)C 62a_100000210624_100000766640 [1,1,0,0,0,0|2,0,0]=4 7464 B9R0.48 CCCC(C)SCC(C)C 62a_100000766640_100000210760 [1,1,0,0,0,0|2,0,0]=4 7465 B9R0.48 CCCC(C)SCC(C)O 62a_100000766640_100011218427 [1,1,0,0,0,0|1,0,0]=3 7466 B9R0.48 CCCC(C)SCC(C)O 62a_100011218427_100000766640 [1,1,0,0,0,0|1,0,0]=3 7467 B9R0.48 CCCC(C)SC[C@@H](C)O 62a_100000766640_100009817552 [1,1,0,0,0,0|1,0,0]=3 7468 B9R0.48 CCCC(C)SC[C@@H](C)O 62a_100009817552_100000766640 [1,1,0,0,0,0|1,0,0]=3 7469 B9R0.48 CCCN(C)CCC(C)C 2230a_100000742789_100000210303 [1,1,0,0,0,0|2,0,0]=4 7470 B9R0.48 CCCN(C)CCC(C)C 2230a_100000747261_100000210312 [1,1,0,0,0,0|2,0,0]=4 7471 B9R0.48 CCCN(C)CCC(C)C 269982a_100000742789_100000210303 [1,1,0,0,0,0|2,0,0]=4 7472 B9R0.48 CCCN(C)CCC(C)C 269982a_100000747261_100000210312 [1,1,0,0,0,0|2,0,0]=4 7473 B9R0.48 CCCN(C)CCC(C)O 2230a_100000747261_100012276601 [1,1,0,0,0,0|1,0,0]=3 7474 B9R0.48 CCCN(C)CCC(C)O 269982a_100000747261_100012276601 [1,1,0,0,0,0|1,0,0]=3 7475 B9R0.48 CCC[C@H](N)COC(C)C 34a_100000732646_100000210206 [1,1,0,0,0,0|2,0,0]=4 7476 B9R0.48 CCNC(C)CCC(C)C 2230a_100015525214_100011261404 [1,1,0,0,0,0|2,0,0]=4 7477 B9R0.48 CCNC(C)CCC(C)C 2230a_100138410893_100000210202 [1,1,0,0,0,0|2,0,0]=4 7478 B9R0.48 CCNC(C)CCC(C)C 270004a_100015525214_100000210476 [1,1,0,0,0,0|2,0,0]=4 7479 B9R0.48 CCOC(C)CCC(C)C 34a_100011215350_100000210202 [1,1,0,0,0,0|2,0,0]=4 7480 B9R0.48 CCOC(C)CCC(C)C 34a_100121572206_100011261404 [1,1,0,0,0,0|2,0,0]=4 7481 B9R0.48 CCOC(C)CCC(C)C 7a_100011215350_100000210202 [1,1,0,0,0,0|2,0,0]=4 7482 B9R0.48 CCSC(C)CCC(C)C 62a_100000210202_100011261404 [1,1,0,0,0,0|2,0,0]=4 7483 B9R0.48 CCSC(C)CCC(C)C 62a_100011261404_100000210202 [1,1,0,0,0,0|2,0,0]=4 7484 B9R0.48 COCC(=O)CCC(C)O 1458a_100000210968_100012276601 [1,1,0,0,0,0|1,0,1]=4 7485 B9R0.48 COCC(C)NCC(C)O 2230a_100000210904_100000765312 [1,1,0,0,0,0|2,0,0]=4 7486 B9R0.48 COCC(C)NCC(C)O 270004a_100000210904_100000749346 [1,1,0,0,0,0|2,0,0]=4 7487 B9R0.48 COCC(C)NCC(C)O 34a_100000210904_100000765312 [1,1,0,0,0,0|2,0,0]=4 7488 B9R0.48 COCC(C)SCC(C)O 62a_100000765312_100011218427 [1,1,0,0,0,0|2,0,0]=4 7489 B9R0.48 COCC(C)SCC(C)O 62a_100011218427_100000765312 [1,1,0,0,0,0|2,0,0]=4 7490 B9R0.48 COCC(C)SC[C@@H](C)O 62a_100000765312_100009817552 [1,1,0,0,0,0|2,0,0]=4 7491 B9R0.48 COCC(C)SC[C@@H](C)O 62a_100009817552_100000765312 [1,1,0,0,0,0|2,0,0]=4 7492 B9R0.48 COC[C@@H](C)NCC(C)O 2230a_100000764878_100011218427 [1,1,0,0,0,0|2,0,0]=4 7493 B9R0.48 COC[C@@H](C)NC[C@@H](C)O 2230a_100000764878_100009817552 [1,1,0,0,0,0|2,0,0]=4 7494 B9R0.48 COC[C@@H](C)OCC(C)O 34a_100011934205_100011218427 [1,1,0,0,0,0|2,0,0]=4 7495 B9R0.48 COC[C@@H](C)OC[C@@H](C)O 34a_100011934205_100009817552 [1,1,0,0,0,0|2,0,0]=4 7496 B9R0.48 CSCC(=O)CCC(C)O 1458a_100000184570_100012276601 [1,1,0,0,0,0|1,0,1]=4 7497 B9R0.48 CSCC(C)NCC(C)O 270004a_100000210904_100011216314 [1,1,0,0,0,0|2,0,0]=4 7498 B9R0.48 C[C@H](CCO)NC[C@@H](C)O 2230a_100000706166_100009817552 [1,1,0,0,0,0|2,0,0]=4 7499 B9R0.48 C[C@H](CCO)NC[C@@H](C)O 34a_100000706166_100009817552 [1,1,0,0,0,0|2,0,0]=4 7500 B9R0.55 C=C(C)CCNCC(C)O 2230a_100000210904_100000730704 [1,1,0,0,0,0|1,0,1]=4 7501 B9R0.55 C=C(C)CCNCC(C)O 34a_100000210904_100000730704 [1,1,0,0,0,0|1,0,1]=4 7502 B9R0.55 C=C(C)CCOCC(C)O 34a_100000764851_100011218427 [1,1,0,0,0,0|1,0,1]=4 7503 B9R0.55 C=C(C)CCOC[C@@H](C)O 34a_100000764851_100009817552 [1,1,0,0,0,0|1,0,1]=4 7504 B9R0.55 C=C(C)CCSCC(C)O 62a_100000730704_100011218427 [1,1,0,0,0,0|1,0,1]=4 7505 B9R0.55 C=C(C)CCSCC(C)O 62a_100011218427_100000730704 [1,1,0,0,0,0|1,0,1]=4 7506 B9R0.55 C=C(C)CCSC[C@@H](C)O 62a_100000730704_100009817552 [1,1,0,0,0,0|1,0,1]=4 7507 B9R0.55 C=C(C)CCSC[C@@H](C)O 62a_100009817552_100000730704 [1,1,0,0,0,0|1,0,1]=4 7508 B9R0.55 C=C(C)CNCCC(C)O 2230a_200000755665_100000748629 [1,1,0,0,0,0|1,0,1]=4 7509 B9R0.55 C=C(C)COCCC(C)O 34a_100000210245_100012276601 [1,1,0,0,0,0|1,0,1]=4 7510 B9R0.55 C=C(C)CSCCC(C)O 62a_100000748629_100012276601 [1,1,0,0,0,0|1,0,1]=4 7511 B9R0.55 C=C(C)CSCCC(C)O 62a_100012276601_100000211660 [1,1,0,0,0,0|1,0,1]=4 7512 B9R0.55 CC(=O)CCCCB(O)O 1458a_100000070787_200009817182 [1,1,0,0,0,0|1,0,1]=4 7513 B9R0.55 CC(=O)CCCCC(C)C 1458a_100000070787_100011216152 [1,1,0,0,0,0|0,0,2]=4 7514 B9R0.55 CC(=O)CCCCC(C)C 1458a_100011933920_200000210301 [1,1,0,0,0,0|0,0,2]=4 7515 B9R0.55 CC(=O)CCOCC(C)O 34a_100000759926_100011218427 [1,1,0,0,0,0|1,0,1]=4 7516 B9R0.55 CC(=O)CCOCC(C)O 7a_100000759926_100011218427 [1,1,0,0,0,0|1,0,1]=4 7517 B9R0.55 CC(=O)CCOC[C@@H](C)O 34a_100000759926_100009817552 [1,1,0,0,0,0|1,0,1]=4 7518 B9R0.55 CC(=O)CCOC[C@@H](C)O 7a_100000759926_100009817552 [1,1,0,0,0,0|1,0,1]=4 7519 B9R0.55 CC(=O)CCSCC(C)O 62a_100000053229_100011218427 [1,1,0,0,0,0|1,0,1]=4 7520 B9R0.55 CC(=O)CCSCC(C)O 62a_100011218427_100000053229 [1,1,0,0,0,0|1,0,1]=4 7521 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100000053229_100009817552 [1,1,0,0,0,0|1,0,1]=4 7522 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100009817552_100000053229 [1,1,0,0,0,0|1,0,1]=4 7523 B9R0.55 CC(=O)COCCC(C)O 34a_100000211253_100012276601 [1,1,0,0,0,0|1,0,1]=4 7524 B9R0.55 CC(Br)CCOC[C@@H](C)O 34a_100009893172_100009817552 [1,1,0,0,0,0|1,0,0]=3 7525 B9R0.55 CC(C)CCCCC(=O)[13CH3] 1458a_100011933920_200025704644 [1,1,0,0,0,0|0,0,2]=4 7526 B9R0.55 CC(C)CCCCN(C)C 2230a_100102631434_100011216152 [1,1,0,0,0,0|2,0,0]=4 7527 B9R0.55 CC(C)CCCCN(C)C 269982a_100102631434_100011216152 [1,1,0,0,0,0|2,0,0]=4 7528 B9R0.55 CC(C)CCCNC(C)C 2230a_100138425928_100011214892 [1,1,0,0,0,0|2,0,0]=4 7529 B9R0.55 CC(C)CCCNC(C)C 2230a_200000737386_100000210206 [1,1,0,0,0,0|2,0,0]=4 7530 B9R0.55 CC(C)CCCNC(C)C 34a_100138425928_100011214892 [1,1,0,0,0,0|2,0,0]=4 7531 B9R0.55 CC(C)CCCNC(C)C 34a_200000737386_100000210206 [1,1,0,0,0,0|2,0,0]=4 7532 B9R0.55 CC(C)CCCOC(C)C 34a_100000210774_100000210206 [1,1,0,0,0,0|2,0,0]=4 7533 B9R0.55 CC(C)CCCOC(C)C 34a_100000212225_100011214892 [1,1,0,0,0,0|2,0,0]=4 7534 B9R0.55 CC(C)CCCOC(C)C 7a_100000210774_100000210206 [1,1,0,0,0,0|2,0,0]=4 7535 B9R0.55 CC(C)CCCSC(C)C 62a_100000210206_100011214892 [1,1,0,0,0,0|2,0,0]=4 7536 B9R0.55 CC(C)CCCSC(C)C 62a_100011214892_100000210206 [1,1,0,0,0,0|2,0,0]=4 7537 B9R0.55 CC(C)CCNCC(C)C 2230a_100000210953_100000210312 [1,1,0,0,0,0|2,0,0]=4 7538 B9R0.55 CC(C)CCNCC(C)C 269862a_100000210953_100000185833 [1,1,0,0,0,0|2,0,0]=4 7539 B9R0.55 CC(C)CCNCC(C)C 270004a_100000210545_100000210432 [1,1,0,0,0,0|2,0,0]=4 7540 B9R0.55 CC(C)CCNCC(C)C 34a_100000210953_100000210312 [1,1,0,0,0,0|2,0,0]=4 7541 B9R0.55 CC(C)CCNCC(C)O 2230a_100000210904_100000210312 [1,1,0,0,0,0|1,0,0]=3 7542 B9R0.55 CC(C)CCNCC(C)O 269862a_100000210904_100000185833 [1,1,0,0,0,0|1,0,0]=3 7543 B9R0.55 CC(C)CCNCC(C)O 34a_100000210904_100000210312 [1,1,0,0,0,0|1,0,0]=3 7544 B9R0.55 CC(C)CCOCC(C)Br 34a_100012180447_100000210312 [1,1,0,0,0,0|2,0,0]=4 7545 B9R0.55 CC(C)CCOCC(C)C 34a_100000210254_100000210624 [1,1,0,0,0,0|2,0,0]=4 7546 B9R0.55 CC(C)CCOCC(C)C 34a_100000210257_100000210312 [1,1,0,0,0,0|2,0,0]=4 7547 B9R0.55 CC(C)CCOCC(C)C 7a_100000210254_100000210760 [1,1,0,0,0,0|2,0,0]=4 7548 B9R0.55 CC(C)CCOCC(C)F 34a_100015925927_100000210312 [1,1,0,0,0,0|2,0,0]=4 7549 B9R0.55 CC(C)CCOCC(C)O 34a_100000210254_100011218427 [1,1,0,0,0,0|1,0,0]=3 7550 B9R0.55 CC(C)CCOCC(C)O 7a_100000210254_100011218427 [1,1,0,0,0,0|1,0,0]=3 7551 B9R0.55 CC(C)CCOC[C@@H](C)Cl 34a_100016084084_100000210312 [1,1,0,0,0,0|2,0,0]=4 7552 B9R0.55 CC(C)CCOC[C@@H](C)N 34a_100000737577_100000210312 [1,1,0,0,0,0|2,0,0]=4 7553 B9R0.55 CC(C)CCOC[C@@H](C)O 34a_100000210254_100009817552 [1,1,0,0,0,0|1,0,0]=3 7554 B9R0.55 CC(C)CCOC[C@@H](C)O 7a_100000210254_100009817552 [1,1,0,0,0,0|1,0,0]=3 7555 B9R0.55 CC(C)CCSCC(C)C 62a_100000210312_100000210760 [1,1,0,0,0,0|2,0,0]=4 7556 B9R0.55 CC(C)CCSCC(C)C 62a_100000210624_100000210312 [1,1,0,0,0,0|2,0,0]=4 7557 B9R0.55 CC(C)CCSCC(C)O 62a_100000210312_100011218427 [1,1,0,0,0,0|1,0,0]=3 7558 B9R0.55 CC(C)CCSCC(C)O 62a_100011218427_100000210312 [1,1,0,0,0,0|1,0,0]=3 7559 B9R0.55 CC(C)CCSC[C@@H](C)O 62a_100000210312_100009817552 [1,1,0,0,0,0|1,0,0]=3 7560 B9R0.55 CC(C)CCSC[C@@H](C)O 62a_100009817552_100000210312 [1,1,0,0,0,0|1,0,0]=3 7561 B9R0.55 CC(C)CNCCC(C)O 2230a_100000210953_100012276601 [1,1,0,0,0,0|1,0,0]=3 7562 B9R0.55 CC(C)CNCCC(C)O 2230a_200000755665_100000210760 [1,1,0,0,0,0|1,0,0]=3 7563 B9R0.55 CC(C)CNCCC(C)O 270004a_200000755665_100000210432 [1,1,0,0,0,0|1,0,0]=3 7564 B9R0.55 CC(C)CNCCC(C)O 34a_100000210953_100012276601 [1,1,0,0,0,0|1,0,0]=3 7565 B9R0.55 CC(C)COCCC(C)Br 34a_100009893172_100000210624 [1,1,0,0,0,0|2,0,0]=4 7566 B9R0.55 CC(C)COCCC(C)O 34a_100000210257_100012276601 [1,1,0,0,0,0|1,0,0]=3 7567 B9R0.55 CC(C)COCC[C@@H](C)N 34a_100000706166_100000210624 [1,1,0,0,0,0|2,0,0]=4 7568 B9R0.55 CC(C)CSCCC(C)O 62a_100000210624_100012276601 [1,1,0,0,0,0|1,0,0]=3 7569 B9R0.55 CC(C)CSCCC(C)O 62a_100012276601_100000210760 [1,1,0,0,0,0|1,0,0]=3 7570 B9R0.55 CC(C)OCSC[C@@H](C)O 62a_100000709892_100009817552 [1,1,0,0,0,0|2,0,0]=4 7571 B9R0.55 CC(C)OCSC[C@@H](C)O 62a_100009817552_100000709892 [1,1,0,0,0,0|2,0,0]=4 7572 B9R0.55 CC(O)CCCNC(C)C 2230a_100138425928_200000718107 [1,1,0,0,0,0|1,0,0]=3 7573 B9R0.55 CC(O)CCCNC(C)C 34a_100138425928_200000718107 [1,1,0,0,0,0|1,0,0]=3 7574 B9R0.55 CC(O)CCCOC(C)C 34a_100000212225_200000718107 [1,1,0,0,0,0|1,0,0]=3 7575 B9R0.55 CC(O)CCCSC(C)C 62a_100000210206_200000718107 [1,1,0,0,0,0|1,0,0]=3 7576 B9R0.55 CC(O)CCCSC(C)C 62a_200000718107_100000210206 [1,1,0,0,0,0|1,0,0]=3 7577 B9R0.55 CC(O)CCNCC(C)O 2230a_100000210904_100012276601 [1,1,0,0,0,0|1,0,0]=3 7578 B9R0.55 CC(O)CCNCC(C)O 2230a_200000755665_100011218427 [1,1,0,0,0,0|1,0,0]=3 7579 B9R0.55 CC(O)CCNCC(C)O 34a_100000210904_100012276601 [1,1,0,0,0,0|1,0,0]=3 7580 B9R0.55 CC(O)CCNCC(F)F 2230a_200000755665_100011934356 [1,1,0,0,0,0|2,0,0]=4 7581 B9R0.55 CC(O)CCNCC(F)F 34a_100000765723_100012276601 [1,1,0,0,0,0|2,0,0]=4 7582 B9R0.55 CC(O)CCNC[C@@H](C)O 2230a_200000755665_100009817552 [1,1,0,0,0,0|1,0,0]=3 7583 B9R0.55 CC(O)CCOCC(C)Br 34a_100012180447_100012276601 [1,1,0,0,0,0|1,0,0]=3 7584 B9R0.55 CC(O)CCOCC(C)F 34a_100015925927_100012276601 [1,1,0,0,0,0|1,0,0]=3 7585 B9R0.55 CC(O)CCOCC(F)F 34a_100000743014_100012276601 [1,1,0,0,0,0|2,0,0]=4 7586 B9R0.55 CC(O)CCOC[C@@H](C)Cl 34a_100016084084_100012276601 [1,1,0,0,0,0|1,0,0]=3 7587 B9R0.55 CC(O)CCOC[C@@H](C)N 34a_100000737577_100012276601 [1,1,0,0,0,0|1,0,0]=3 7588 B9R0.55 CC(O)CCSCC(C)O 62a_100011218427_100012276601 [1,1,0,0,0,0|1,0,0]=3 7589 B9R0.55 CC(O)CCSCC(C)O 62a_100012276601_100011218427 [1,1,0,0,0,0|1,0,0]=3 7590 B9R0.55 CC(O)CCSCC(F)F 62a_100011934356_100012276601 [1,1,0,0,0,0|2,0,0]=4 7591 B9R0.55 CC(O)CCSCC(F)F 62a_100012276601_100011934356 [1,1,0,0,0,0|2,0,0]=4 7592 B9R0.55 CC(O)CCSC[C@@H](C)O 62a_100009817552_100012276601 [1,1,0,0,0,0|1,0,0]=3 7593 B9R0.55 CC(O)CCSC[C@@H](C)O 62a_100012276601_100009817552 [1,1,0,0,0,0|1,0,0]=3 7594 B9R0.55 CC(O)CNCOC(C)C 2230a_100000210904_100000709892 [1,1,0,0,0,0|2,0,0]=4 7595 B9R0.55 CC(O)CNCOC(C)C 34a_100000210904_100000709892 [1,1,0,0,0,0|2,0,0]=4 7596 B9R0.55 CC(O)COCCC(C)Br 34a_100009893172_100011218427 [1,1,0,0,0,0|1,0,0]=3 7597 B9R0.55 CC(O)COCCC(F)F 34a_100103093639_100011218427 [1,1,0,0,0,0|2,0,0]=4 7598 B9R0.55 CC(O)COCC[C@@H](C)N 34a_100000706166_100011218427 [1,1,0,0,0,0|1,0,0]=3 7599 B9R0.55 CC(O)CSCCN(C)C 62a_100011218427_100000755713 [1,1,0,0,0,0|2,0,0]=4 7600 B9R0.55 CC(O)CSCOC(C)C 62a_100000709892_100011218427 [1,1,0,0,0,0|2,0,0]=4 7601 B9R0.55 CC(O)CSCOC(C)C 62a_100011218427_100000709892 [1,1,0,0,0,0|2,0,0]=4 7602 B9R0.55 CN(C)CCCCB(O)O 2230a_100102631434_200009817182 [1,1,0,0,0,0|2,0,0]=4 7603 B9R0.55 CN(C)CCCCB(O)O 269982a_100102631434_200009817182 [1,1,0,0,0,0|2,0,0]=4 7604 B9R0.55 C[C@@H](N)CCOC[C@@H](C)O 34a_100000706166_100009817552 [1,1,0,0,0,0|1,0,0]=3 7605 B9R0.55 C[C@@H](O)COCCC(F)F 34a_100103093639_100009817552 [1,1,0,0,0,0|2,0,0]=4 7606 B9R0.55 C[C@@H](O)CSCCN(C)C 62a_100009817552_100000755713 [1,1,0,0,0,0|2,0,0]=4 7607 B11R0.2 CCCCCCC(=O)CC(C)O 1458a_100102632555_100011218427 [0,2,0,0,0,0|0,0,2]=4 7608 B11R0.2 CCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210757 [0,2,0,0,0,0|0,0,2]=4 7609 B11R0.2 CCCCCCC(C)NC(C)C 2230a_100000210919_100000210206 [0,2,0,0,0,0|2,0,0]=4 7610 B11R0.2 CCCCCCC(C)NC(C)C 2230a_100138425928_100011215978 [0,2,0,0,0,0|2,0,0]=4 7611 B11R0.2 CCCCCCC(C)NC(C)C 34a_100000210919_100000210206 [0,2,0,0,0,0|2,0,0]=4 7612 B11R0.2 CCCCCCC(C)NC(C)C 34a_100138425928_100011215978 [0,2,0,0,0,0|2,0,0]=4 7613 B11R0.2 CCCCCCC(C)OC(C)C 34a_100000210265_100000210206 [0,2,0,0,0,0|2,0,0]=4 7614 B11R0.2 CCCCCCC(C)OC(C)C 34a_100000212225_100011215978 [0,2,0,0,0,0|2,0,0]=4 7615 B11R0.2 CCCCCCC(C)OC(C)C 7a_100000210265_100000210206 [0,2,0,0,0,0|2,0,0]=4 7616 B11R0.2 CCCCCCC(C)SC(C)C 62a_100000210206_100011215978 [0,2,0,0,0,0|2,0,0]=4 7617 B11R0.2 CCCCCCC(C)SC(C)C 62a_100011215978_100000210206 [0,2,0,0,0,0|2,0,0]=4 7618 B11R0.2 CCCCCCN(C)CC(=O)O 269956a_100000746989_100000210757 [0,2,0,0,0,0|2,0,0]=4 7619 B11R0.2 CCCCCCN(C)CC(C)O 2230a_100000227577_100000210314 [0,2,0,0,0,0|2,0,0]=4 7620 B11R0.2 CCCCCCN(C)CC(C)O 2230a_106256046315_100011218427 [0,2,0,0,0,0|2,0,0]=4 7621 B11R0.2 CCCCCCN(C)CC(C)O 269982a_100000227577_100000210757 [0,2,0,0,0,0|2,0,0]=4 7622 B11R0.2 CCCCCCN(C)CC(C)O 269982a_106256046315_100011218427 [0,2,0,0,0,0|2,0,0]=4 7623 B11R0.2 CCCCCCN(C)C[C@@H](C)O 2230a_106256046315_100009817552 [0,2,0,0,0,0|2,0,0]=4 7624 B11R0.2 CCCCCCN(C)C[C@@H](C)O 269982a_106256046315_100009817552 [0,2,0,0,0,0|2,0,0]=4 7625 B11R0.2 CCCCNCC(O)CC(=O)O 269956a_100011218706_100000210211 [0,2,0,0,0,0|1,0,0]=3 7626 B11R0.2 CCOCNCC(O)CC(=O)O 269956a_100011218706_100000739092 [0,2,0,0,0,0|2,0,0]=4 7627 B11R0.2 COCCNCC(O)CC(=O)O 269956a_100011218706_100000233755 [0,2,0,0,0,0|2,0,0]=4 7628 B11R0.2 CSCCNCC(O)CC(=O)O 269956a_100011218706_100000212216 [0,2,0,0,0,0|2,0,0]=4 7629 B11R0.2 O=C(O)CC(O)CNCCCF 269956a_100011218706_100011934791 [0,2,0,0,0,0|2,0,0]=4 7630 B11R0.2 O=C(O)CC(O)CNCCCO 269956a_100011218706_100011215043 [0,2,0,0,0,0|2,0,0]=4 7631 B11R0.4 C#CCC(C)OCCCCCC 34a_100000685586_100000210314 [0,2,0,0,0,0|2,0,0]=4 7632 B11R0.4 C#CCC(C)OCCCCCC 7a_100000685586_100000210314 [0,2,0,0,0,0|2,0,0]=4 7633 B11R0.4 C#CCCCNCC(O)COC 2230a_100000756049_100000731252 [0,2,0,0,0,0|0,0,2]=4 7634 B11R0.4 C#CCCCNCC(O)COC 34a_100000718082_100011215053 [0,2,0,0,0,0|0,0,2]=4 7635 B11R0.4 C#CCCCNCC(O)COC 34a_100000756049_100000695029 [0,2,0,0,0,0|0,0,2]=4 7636 B11R0.4 C#CCCCOCC(O)COC 34a_100000215630_100011215053 [0,2,0,0,0,0|0,0,2]=4 7637 B11R0.4 C#CCCCOCC(O)COC 7a_100000215630_100011215053 [0,2,0,0,0,0|0,0,2]=4 7638 B11R0.4 C#CCCCSCC(O)COC 62a_100011215053_100011215417 [0,2,0,0,0,0|0,0,2]=4 7639 B11R0.4 C#CCCCSCC(O)COC 62a_100011215417_100011215053 [0,2,0,0,0,0|0,0,2]=4 7640 B11R0.4 C/C=C/CCOCC(O)COC 34a_100016278192_100011215053 [0,2,0,0,0,0|0,0,2]=4 7641 B11R0.4 C=CCC(C)COCCCCC 34a_100009832082_100000718602 [0,2,0,0,0,0|2,0,0]=4 7642 B11R0.4 C=CCC(C)COCCCCC 7a_100009832082_100000210326 [0,2,0,0,0,0|2,0,0]=4 7643 B11R0.4 C=CCCCNCC(O)COC 2230a_100000756049_100011713584 [0,2,0,0,0,0|0,0,2]=4 7644 B11R0.4 C=CCCCNCC(O)COC 34a_100000700776_100011215053 [0,2,0,0,0,0|0,0,2]=4 7645 B11R0.4 C=CCCCNCC(O)COC 34a_100000756049_100000757094 [0,2,0,0,0,0|0,0,2]=4 7646 B11R0.4 C=CCCCOCC(O)COC 34a_100000758997_100011215053 [0,2,0,0,0,0|0,0,2]=4 7647 B11R0.4 C=CCCCOCC(O)COC 7a_100000758997_100011215053 [0,2,0,0,0,0|0,0,2]=4 7648 B11R0.4 C=CCCCSCC(O)COC 62a_100011215053_100000757094 [0,2,0,0,0,0|0,0,2]=4 7649 B11R0.4 C=CCCCSCC(O)COC 62a_100011713584_100011215053 [0,2,0,0,0,0|0,0,2]=4 7650 B11R0.4 C=CC[C@@H](C)OCCCCCC 34a_100000731007_100000210314 [0,2,0,0,0,0|2,0,0]=4 7651 B11R0.4 C=CC[C@@H](C)OCCCCCC 7a_100000731007_100000210314 [0,2,0,0,0,0|2,0,0]=4 7652 B11R0.4 C=CC[C@@H](N)COCCCCC 34a_100020615467_100000718602 [0,2,0,0,0,0|2,0,0]=4 7653 B11R0.4 CC#CCCOCC(O)COC 34a_100000750427_100011215053 [0,2,0,0,0,0|0,0,2]=4 7654 B11R0.4 CC(CCO)NCCCCCO 2230a_100000762737_100009893172 [0,2,0,0,0,0|2,0,0]=4 7655 B11R0.4 CC(CCO)NCCCCCO 34a_100000762737_100009893172 [0,2,0,0,0,0|2,0,0]=4 7656 B11R0.4 CC(CCO)OCCCCCBr 34a_100000746331_100009893172 [0,2,0,0,0,0|2,0,0]=4 7657 B11R0.4 CC(CCO)OCCCCCBr 7a_100000746331_100009893172 [0,2,0,0,0,0|2,0,0]=4 7658 B11R0.4 CC(CCO)OCCCCCCl 34a_100000746330_100009893172 [0,2,0,0,0,0|2,0,0]=4 7659 B11R0.4 CC(CCO)OCCCCCCl 7a_100000746330_100009893172 [0,2,0,0,0,0|2,0,0]=4 7660 B11R0.4 CC(CCO)OCCCCCI 34a_200012148887_100009893172 [0,2,0,0,0,0|2,0,0]=4 7661 B11R0.4 CC(CCO)OCCCCCI 7a_200012148887_100009893172 [0,2,0,0,0,0|2,0,0]=4 7662 B11R0.4 CC(CCO)OCCCCCN 34a_100000762737_100009893172 [0,2,0,0,0,0|2,0,0]=4 7663 B11R0.4 CC(CCO)SCCCCCF 62a_100000729378_100009893172 [0,2,0,0,0,0|2,0,0]=4 7664 B11R0.4 CC(CCO)SCCCCCF 62a_100009893172_100000729378 [0,2,0,0,0,0|2,0,0]=4 7665 B11R0.4 CC(CCO)SCCCCCO 62a_100000746330_100009893172 [0,2,0,0,0,0|2,0,0]=4 7666 B11R0.4 CC(CCO)SCCCCCO 62a_100009893172_100000746330 [0,2,0,0,0,0|2,0,0]=4 7667 B11R0.4 CC/C=C\CNCC(O)COC 2230a_100000756049_100103147603 [0,2,0,0,0,0|0,0,2]=4 7668 B11R0.4 CC/C=C\CNCC(O)COC 34a_100000756049_100103147603 [0,2,0,0,0,0|0,0,2]=4 7669 B11R0.4 CC/C=C\COCC(O)COC 34a_100016268518_100011215053 [0,2,0,0,0,0|0,0,2]=4 7670 B11R0.4 CC/C=C\CSCC(O)COC 62a_100011215053_100103147603 [0,2,0,0,0,0|0,0,2]=4 7671 B11R0.4 CC/C=C\CSCC(O)COC 62a_100103147603_100011215053 [0,2,0,0,0,0|0,0,2]=4 7672 B11R0.4 CCC#CCNCC(O)COC 2230a_100000756049_100009813939 [0,2,0,0,0,0|0,0,2]=4 7673 B11R0.4 CCC#CCNCC(O)COC 34a_100000756049_100009813939 [0,2,0,0,0,0|0,0,2]=4 7674 B11R0.4 CCC#CCOCC(O)COC 34a_100000032950_100011215053 [0,2,0,0,0,0|0,0,2]=4 7675 B11R0.4 CCC#CCSCC(O)COC 62a_100009813939_100011215053 [0,2,0,0,0,0|0,0,2]=4 7676 B11R0.4 CCC#CCSCC(O)COC 62a_100011215053_100009813939 [0,2,0,0,0,0|0,0,2]=4 7677 B11R0.4 CCCCCCCC(=O)CCO 1458a_100000211969_100000211926 [0,2,0,0,0,0|0,0,2]=4 7678 B11R0.4 CCCCCCCC(=O)CCO 1458a_100011216618_100000210614 [0,2,0,0,0,0|0,0,2]=4 7679 B11R0.4 CCCCCCCC(=O)COC 1458a_100000210968_100000210614 [0,2,0,0,0,0|0,0,2]=4 7680 B11R0.4 CCCCCCCC(C)NCC 2230a_100015525214_200011218727 [0,2,0,0,0,0|2,0,0]=4 7681 B11R0.4 CCCCCCCC(C)NCC 270004a_100015525214_100000210596 [0,2,0,0,0,0|2,0,0]=4 7682 B11R0.4 CCCCCCCC(C)OCC 34a_100121572206_200011218727 [0,2,0,0,0,0|2,0,0]=4 7683 B11R0.4 CCCCCCCC(C)OCC 34a_200011215852_100000210202 [0,2,0,0,0,0|2,0,0]=4 7684 B11R0.4 CCCCCCCC(C)OCC 7a_200011215852_100000210202 [0,2,0,0,0,0|2,0,0]=4 7685 B11R0.4 CCCCCCCC(C)OCF 34a_200011215852_100015361967 [0,2,0,0,0,0|2,0,0]=4 7686 B11R0.4 CCCCCCCC(C)OCF 7a_200011215852_100015361967 [0,2,0,0,0,0|2,0,0]=4 7687 B11R0.4 CCCCCCCC(C)SCC 62a_100000210202_200011218727 [0,2,0,0,0,0|2,0,0]=4 7688 B11R0.4 CCCCCCCC(C)SCC 62a_200011218727_100000210202 [0,2,0,0,0,0|2,0,0]=4 7689 B11R0.4 CCCCCCCC(C)SCF 62a_100015361967_200011218727 [0,2,0,0,0,0|2,0,0]=4 7690 B11R0.4 CCCCCCCC(C)SCF 62a_200011218727_100015361967 [0,2,0,0,0,0|2,0,0]=4 7691 B11R0.4 CCCCCCCN(C)CCO 2230a_100000210263_100000210681 [0,2,0,0,0,0|2,0,0]=4 7692 B11R0.4 CCCCCCCN(C)CCO 2230a_100000228206_100000211926 [0,2,0,0,0,0|2,0,0]=4 7693 B11R0.4 CCCCCCCN(C)CCO 269982a_100000210263_100000210681 [0,2,0,0,0,0|2,0,0]=4 7694 B11R0.4 CCCCCCCN(C)CCO 269982a_100000228206_100000211926 [0,2,0,0,0,0|2,0,0]=4 7695 B11R0.4 CCCCCCCN(C)COC 2230a_100000228206_100000766300 [0,2,0,0,0,0|2,0,0]=4 7696 B11R0.4 CCCCCCCN(C)COC 269982a_100000228206_100000766300 [0,2,0,0,0,0|2,0,0]=4 7697 B11R0.4 CCCCCCNC(=O)CCO 240690a_100000210581_100011216618 [0,2,0,0,0,0|0,0,2]=4 7698 B11R0.4 CCCCCCNC(=O)COC 11a_100000210581_100000210968 [0,2,0,0,0,0|0,0,2]=4 7699 B11R0.4 CCCCCCNC(=O)COC 1626a_100000210581_100000210968 [0,2,0,0,0,0|0,0,2]=4 7700 B11R0.4 CCCCCCNC(=O)COC 240690a_100000210581_100000210968 [0,2,0,0,0,0|0,0,2]=4 7701 B11R0.4 CCCCCCNC(=O)COC 34a_100138415774_100000230325 [0,2,0,0,0,0|0,0,2]=4 7702 B11R0.4 CCCCCCNC(=O)COC 527a_100000210581_100000210968 [0,2,0,0,0,0|0,0,2]=4 7703 B11R0.4 CCCCCCNC(C)CC#N 2230a_100000210581_100009813641 [0,2,0,0,0,0|2,0,0]=4 7704 B11R0.4 CCCCCCNC(C)CCC 2230a_100000210581_100000766640 [0,2,0,0,0,0|2,0,0]=4 7705 B11R0.4 CCCCCCNC(C)CCC 2230a_100000741246_100000210314 [0,2,0,0,0,0|2,0,0]=4 7706 B11R0.4 CCCCCCNC(C)CCC 270004a_100000210581_100000211909 [0,2,0,0,0,0|2,0,0]=4 7707 B11R0.4 CCCCCCNC(C)CCO 2230a_100000210581_100009893172 [0,2,0,0,0,0|1,0,0]=3 7708 B11R0.4 CCCCCCNC(C)COC 2230a_100000210581_100000765312 [0,2,0,0,0,0|1,0,0]=3 7709 B11R0.4 CCCCCCNC(C)COC 270004a_100000210581_100000749346 [0,2,0,0,0,0|1,0,0]=3 7710 B11R0.4 CCCCCCNC(C)CSC 270004a_100000210581_100011216314 [0,2,0,0,0,0|1,1,0]=4 7711 B11R0.4 CCCCCCN[C@@H](C)CC#N 2230a_100016994482_100000210314 [0,2,0,0,0,0|2,0,0]=4 7712 B11R0.4 CCCCCCN[C@H](C)CCO 2230a_100000706166_100000210314 [0,2,0,0,0,0|1,0,0]=3 7713 B11R0.4 CCCCCCN[C@H](C)CCO 34a_100000706166_100000210314 [0,2,0,0,0,0|1,0,0]=3 7714 B11R0.4 CCCCCCN[C@H](C)COC 2230a_100000764878_100000210314 [0,2,0,0,0,0|1,0,0]=3 7715 B11R0.4 CCCCCCOC(C)CC#N 7a_100000210259_100009813641 [0,2,0,0,0,0|2,0,0]=4 7716 B11R0.4 CCCCCCOC(C)CCBr 34a_100012276601_100000210314 [0,2,0,0,0,0|2,0,0]=4 7717 B11R0.4 CCCCCCOC(C)CCC 34a_100000210259_100000766640 [0,2,0,0,0,0|2,0,0]=4 7718 B11R0.4 CCCCCCOC(C)CCC 34a_100000764384_100000210314 [0,2,0,0,0,0|2,0,0]=4 7719 B11R0.4 CCCCCCOC(C)CCC 7a_100000210259_100000766640 [0,2,0,0,0,0|2,0,0]=4 7720 B11R0.4 CCCCCCOC(C)CCC 7a_100000764384_100000210314 [0,2,0,0,0,0|2,0,0]=4 7721 B11R0.4 CCCCCCOC(C)CCO 34a_100000210259_100009893172 [0,2,0,0,0,0|1,0,0]=3 7722 B11R0.4 CCCCCCOC(C)CCO 7a_100000210259_100009893172 [0,2,0,0,0,0|1,0,0]=3 7723 B11R0.4 CCCCCCOC(C)COC 34a_100000210259_100000765312 [0,2,0,0,0,0|1,0,0]=3 7724 B11R0.4 CCCCCCOC(C)COC 7a_100000210259_100000765312 [0,2,0,0,0,0|1,0,0]=3 7725 B11R0.4 CCCCCCO[C@H](C)COC 34a_100011934205_100000210314 [0,2,0,0,0,0|1,0,0]=3 7726 B11R0.4 CCCCCCSC(C)CC#N 62a_100000210314_100009813641 [0,2,0,0,0,0|2,0,0]=4 7727 B11R0.4 CCCCCCSC(C)CC#N 62a_100009813641_100000210757 [0,2,0,0,0,0|2,0,0]=4 7728 B11R0.4 CCCCCCSC(C)CCC 62a_100000210314_100000766640 [0,2,0,0,0,0|2,0,0]=4 7729 B11R0.4 CCCCCCSC(C)CCC 62a_100000766640_100000210757 [0,2,0,0,0,0|2,0,0]=4 7730 B11R0.4 CCCCCCSC(C)CCO 62a_100000210314_100009893172 [0,2,0,0,0,0|1,0,0]=3 7731 B11R0.4 CCCCCCSC(C)CCO 62a_100009893172_100000210757 [0,2,0,0,0,0|1,0,0]=3 7732 B11R0.4 CCCCCCSC(C)COC 62a_100000210314_100000765312 [0,2,0,0,0,0|1,0,0]=3 7733 B11R0.4 CCCCCCSC(C)COC 62a_100000765312_100000210757 [0,2,0,0,0,0|1,0,0]=3 7734 B11R0.4 CCCCCNCC(=O)NCO 2230a_100000209983_100000185155 [0,2,0,0,0,0|0,0,2]=4 7735 B11R0.4 CCCCCNCC(C)CCC 2230a_100000209983_100011216630 [0,2,0,0,0,0|2,0,0]=4 7736 B11R0.4 CCCCCNCC(C)CCC 270004a_100000209983_100000243154 [0,2,0,0,0,0|2,0,0]=4 7737 B11R0.4 CCCCCNCC(O)COC 2230a_100000756049_100000210326 [0,2,0,0,0,0|0,0,0]=2 7738 B11R0.4 CCCCCNCC(O)COC 34a_100000756049_100000718602 [0,2,0,0,0,0|0,0,0]=2 7739 B11R0.4 CCCCCNC[C@@H](O)CC#N 2230a_100000209983_100000001066 [0,2,0,0,0,0|1,0,0]=3 7740 B11R0.4 CCCCCOCC(=O)NCO 34a_100000210253_100000185155 [0,2,0,0,0,0|0,0,2]=4 7741 B11R0.4 CCCCCOCC(=O)NCO 7a_100000210253_100000185155 [0,2,0,0,0,0|0,0,2]=4 7742 B11R0.4 CCCCCOCC(C)CCC 34a_100000210253_100011216630 [0,2,0,0,0,0|2,0,0]=4 7743 B11R0.4 CCCCCOCC(C)CCC 34a_100000688023_100000718602 [0,2,0,0,0,0|2,0,0]=4 7744 B11R0.4 CCCCCOCC(C)CCC 7a_100000210253_100011216630 [0,2,0,0,0,0|2,0,0]=4 7745 B11R0.4 CCCCCOCC(C)CCC 7a_100000688023_100000210326 [0,2,0,0,0,0|2,0,0]=4 7746 B11R0.4 CCCCCOCC(C)CCN 34a_106354213184_100000718602 [0,2,0,0,0,0|2,0,0]=4 7747 B11R0.4 CCCCCOCC(N)COC 34a_100000724102_100000718602 [0,2,0,0,0,0|1,0,0]=3 7748 B11R0.4 CCCCCOCC(O)COC 34a_100000210253_100011215053 [0,2,0,0,0,0|0,0,0]=2 7749 B11R0.4 CCCCCOCC(O)COC 7a_100000210253_100011215053 [0,2,0,0,0,0|0,0,0]=2 7750 B11R0.4 CCCCCOC[C@@H](N)CCC 34a_100000732646_100000718602 [0,2,0,0,0,0|2,0,0]=4 7751 B11R0.4 CCCCCOC[C@@H](O)CC#N 7a_100000210253_100000001066 [0,2,0,0,0,0|1,0,0]=3 7752 B11R0.4 CCCCCSCC(=O)NCO 62a_100000185155_100000210326 [0,2,0,0,0,0|0,0,2]=4 7753 B11R0.4 CCCCCSCC(=O)NCO 62a_100000210326_100000185155 [0,2,0,0,0,0|0,0,2]=4 7754 B11R0.4 CCCCCSCC(C)CCC 62a_100000210326_100011216630 [0,2,0,0,0,0|2,0,0]=4 7755 B11R0.4 CCCCCSCC(C)CCC 62a_100011216630_100000210326 [0,2,0,0,0,0|2,0,0]=4 7756 B11R0.4 CCCCCSCC(O)COC 62a_100000210326_100011215053 [0,2,0,0,0,0|0,0,0]=2 7757 B11R0.4 CCCCCSCC(O)COC 62a_100011215053_100000210326 [0,2,0,0,0,0|0,0,0]=2 7758 B11R0.4 CCCCCSC[C@@H](O)CC#N 62a_100000001066_100000210326 [0,2,0,0,0,0|1,0,0]=3 7759 B11R0.4 CCCCCSC[C@@H](O)CC#N 62a_100000210326_100000001066 [0,2,0,0,0,0|1,0,0]=3 7760 B11R0.4 CCCCOCCC(=O)CCO 1458a_100011216618_100000743108 [0,2,0,0,0,0|0,0,2]=4 7761 B11R0.4 CCCCOCCC(=O)COC 1458a_100000210968_100000743108 [0,2,0,0,0,0|0,0,2]=4 7762 B11R0.4 CCCCOCCC(C)CCC 34a_100011217855_100000210210 [0,2,0,0,0,0|2,0,0]=4 7763 B11R0.4 CCCCOCCC(C)CCC 7a_100011217855_100000210211 [0,2,0,0,0,0|2,0,0]=4 7764 B11R0.4 CCCCOCCN(C)CCO 2230a_100000210263_100000743108 [0,2,0,0,0,0|2,0,0]=4 7765 B11R0.4 CCCCOCCN(C)CCO 269982a_100000210263_100000743108 [0,2,0,0,0,0|2,0,0]=4 7766 B11R0.4 CCCCOCC[C@@H](N)CCC 34a_100015193777_100000210210 [0,2,0,0,0,0|2,0,0]=4 7767 B11R0.4 CCCCOCN[C@H](C)CCO 2230a_100000706166_100011995733 [0,2,0,0,0,0|2,0,0]=4 7768 B11R0.4 CCCCOCN[C@H](C)CCO 34a_100000706166_100011995733 [0,2,0,0,0,0|2,0,0]=4 7769 B11R0.4 CCCCOCN[C@H](C)COC 2230a_100000764878_100011995733 [0,2,0,0,0,0|2,0,0]=4 7770 B11R0.4 CCCCOCO[C@H](C)COC 34a_100011934205_100011995733 [0,2,0,0,0,0|2,0,0]=4 7771 B11R0.4 CCCCOCSC(C)CCO 62a_100009893172_100011995733 [0,2,0,0,0,0|2,0,0]=4 7772 B11R0.4 CCCCOCSC(C)CCO 62a_100011995733_100009893172 [0,2,0,0,0,0|2,0,0]=4 7773 B11R0.4 CCCCOCSC(C)COC 62a_100000765312_100011995733 [0,2,0,0,0,0|2,0,0]=4 7774 B11R0.4 CCCCOCSC(C)COC 62a_100011995733_100000765312 [0,2,0,0,0,0|2,0,0]=4 7775 B11R0.4 CCCOCCCC(C)CCC 34a_100011713154_100000210303 [0,2,0,0,0,0|2,0,0]=4 7776 B11R0.4 CCCOCCCC(C)CCC 7a_100011713154_100000210303 [0,2,0,0,0,0|2,0,0]=4 7777 B11R0.4 CCCOCCNC(C)CCO 2230a_100161115042_100009893172 [0,2,0,0,0,0|2,0,0]=4 7778 B11R0.4 CCCOCCNC(C)CCO 34a_100161115042_100009893172 [0,2,0,0,0,0|2,0,0]=4 7779 B11R0.4 CCCOCCNC(C)COC 2230a_100161115042_100000765312 [0,2,0,0,0,0|2,0,0]=4 7780 B11R0.4 CCCOCCNC(C)COC 270004a_100161115042_100000749346 [0,2,0,0,0,0|2,0,0]=4 7781 B11R0.4 CCCOCCNC(C)COC 34a_100161115042_100000765312 [0,2,0,0,0,0|2,0,0]=4 7782 B11R0.4 CCCOCCN[C@H](C)CCO 2230a_100000706166_100011215938 [0,2,0,0,0,0|2,0,0]=4 7783 B11R0.4 CCCOCCN[C@H](C)CCO 34a_100000706166_100011215938 [0,2,0,0,0,0|2,0,0]=4 7784 B11R0.4 CCCOCCN[C@H](C)COC 2230a_100000764878_100011215938 [0,2,0,0,0,0|2,0,0]=4 7785 B11R0.4 CCCOCCOC(C)CCO 34a_100000752267_100009893172 [0,2,0,0,0,0|2,0,0]=4 7786 B11R0.4 CCCOCCOC(C)CCO 7a_100000752267_100009893172 [0,2,0,0,0,0|2,0,0]=4 7787 B11R0.4 CCCOCCOC(C)COC 34a_100000752267_100000765312 [0,2,0,0,0,0|2,0,0]=4 7788 B11R0.4 CCCOCCOC(C)COC 7a_100000752267_100000765312 [0,2,0,0,0,0|2,0,0]=4 7789 B11R0.4 CCCOCCO[C@H](C)COC 34a_100011934205_100011215938 [0,2,0,0,0,0|2,0,0]=4 7790 B11R0.4 CCCOCCSC(C)CCO 62a_100009893172_100011215938 [0,2,0,0,0,0|2,0,0]=4 7791 B11R0.4 CCCOCCSC(C)CCO 62a_100011215938_100009893172 [0,2,0,0,0,0|2,0,0]=4 7792 B11R0.4 CCCOCCSC(C)COC 62a_100000765312_100011215938 [0,2,0,0,0,0|2,0,0]=4 7793 B11R0.4 CCCOCCSC(C)COC 62a_100011215938_100000765312 [0,2,0,0,0,0|2,0,0]=4 7794 B11R0.4 CCCSCCNC(C)CCO 2230a_100020603323_100009893172 [0,2,0,0,0,0|2,0,0]=4 7795 B11R0.4 CCCSCCNC(C)COC 2230a_100020603323_100000765312 [0,2,0,0,0,0|2,0,0]=4 7796 B11R0.4 CCCSCCNC(C)COC 270004a_100020603323_100000749346 [0,2,0,0,0,0|2,0,0]=4 7797 B11R0.4 CCCSCCOC(C)CCO 34a_200000230433_100009893172 [0,2,0,0,0,0|2,0,0]=4 7798 B11R0.4 CCCSCCOC(C)CCO 7a_200000230433_100009893172 [0,2,0,0,0,0|2,0,0]=4 7799 B11R0.4 CCCSCCOC(C)COC 34a_200000230433_100000765312 [0,2,0,0,0,0|2,0,0]=4 7800 B11R0.4 CCCSCCOC(C)COC 7a_200000230433_100000765312 [0,2,0,0,0,0|2,0,0]=4 7801 B11R0.4 CCOCCCNC(C)CCO 2230a_100000210961_100009893172 [0,2,0,0,0,0|2,0,0]=4 7802 B11R0.4 CCOCCCNC(C)CCO 34a_100000210961_100009893172 [0,2,0,0,0,0|2,0,0]=4 7803 B11R0.4 CCOCCCNC(C)COC 2230a_100000210961_100000765312 [0,2,0,0,0,0|2,0,0]=4 7804 B11R0.4 CCOCCCNC(C)COC 270004a_100000210961_100000749346 [0,2,0,0,0,0|2,0,0]=4 7805 B11R0.4 CCOCCCNC(C)COC 34a_100000210961_100000765312 [0,2,0,0,0,0|2,0,0]=4 7806 B11R0.4 CCOCCCN[C@H](C)CCO 2230a_100000706166_100012232248 [0,2,0,0,0,0|2,0,0]=4 7807 B11R0.4 CCOCCCN[C@H](C)CCO 34a_100000706166_100012232248 [0,2,0,0,0,0|2,0,0]=4 7808 B11R0.4 CCOCCCN[C@H](C)COC 2230a_100000764878_100012232248 [0,2,0,0,0,0|2,0,0]=4 7809 B11R0.4 CCOCCCOC(C)CCO 34a_100000757476_100009893172 [0,2,0,0,0,0|2,0,0]=4 7810 B11R0.4 CCOCCCOC(C)CCO 7a_100000757476_100009893172 [0,2,0,0,0,0|2,0,0]=4 7811 B11R0.4 CCOCCCOC(C)COC 34a_100000757476_100000765312 [0,2,0,0,0,0|2,0,0]=4 7812 B11R0.4 CCOCCCOC(C)COC 7a_100000757476_100000765312 [0,2,0,0,0,0|2,0,0]=4 7813 B11R0.4 CCOCCCO[C@H](C)COC 34a_100011934205_100012232248 [0,2,0,0,0,0|2,0,0]=4 7814 B11R0.4 CCOCCCSC(C)CCO 62a_100009893172_100012232248 [0,2,0,0,0,0|2,0,0]=4 7815 B11R0.4 CCOCCCSC(C)CCO 62a_100012232248_100009893172 [0,2,0,0,0,0|2,0,0]=4 7816 B11R0.4 CCOCCCSC(C)COC 62a_100000765312_100012232248 [0,2,0,0,0,0|2,0,0]=4 7817 B11R0.4 CCOCCCSC(C)COC 62a_100012232248_100000765312 [0,2,0,0,0,0|2,0,0]=4 7818 B11R0.4 CCOCCNCC(O)COC 2230a_100000756049_100011215890 [0,2,0,0,0,0|1,0,0]=3 7819 B11R0.4 CCOCCNCC(O)COC 34a_100000756049_100000210147 [0,2,0,0,0,0|1,0,0]=3 7820 B11R0.4 CCOCCNCC(O)COC 34a_102516460346_100011215053 [0,2,0,0,0,0|1,0,0]=3 7821 B11R0.4 CCOCCNC[C@@H](O)CC#N 2230a_102516460346_100000001066 [0,2,0,0,0,0|2,0,0]=4 7822 B11R0.4 CCOCCOCC(N)COC 34a_100000724102_100000210147 [0,2,0,0,0,0|2,0,0]=4 7823 B11R0.4 CCOCCOCC(O)COC 34a_100000210136_100011215053 [0,2,0,0,0,0|1,0,0]=3 7824 B11R0.4 CCOCCOCC(O)COC 7a_100000210136_100011215053 [0,2,0,0,0,0|1,0,0]=3 7825 B11R0.4 CCOCCOC[C@@H](O)CC#N 7a_100000210136_100000001066 [0,2,0,0,0,0|2,0,0]=4 7826 B11R0.4 CCOCCSCC(O)COC 62a_100000210147_100011215053 [0,2,0,0,0,0|1,0,0]=3 7827 B11R0.4 CCOCCSCC(O)COC 62a_100011215053_100011215890 [0,2,0,0,0,0|1,0,0]=3 7828 B11R0.4 CCOCCSC[C@@H](O)CC#N 62a_100000001066_100011215890 [0,2,0,0,0,0|2,0,0]=4 7829 B11R0.4 CCOCCSC[C@@H](O)CC#N 62a_100000210147_100000001066 [0,2,0,0,0,0|2,0,0]=4 7830 B11R0.4 CCSCCCOC(C)CCO 34a_100011216438_100009893172 [0,2,0,0,0,0|2,0,0]=4 7831 B11R0.4 CCSCCCOC(C)CCO 7a_100011216438_100009893172 [0,2,0,0,0,0|2,0,0]=4 7832 B11R0.4 CCSCCCOC(C)COC 34a_100011216438_100000765312 [0,2,0,0,0,0|2,0,0]=4 7833 B11R0.4 CCSCCCOC(C)COC 7a_100011216438_100000765312 [0,2,0,0,0,0|2,0,0]=4 7834 B11R0.4 CCSCCNCC(O)COC 2230a_100000756049_100000757381 [0,2,0,0,0,0|1,0,0]=3 7835 B11R0.4 CCSCCNCC(O)COC 34a_100000756049_100000757381 [0,2,0,0,0,0|1,0,0]=3 7836 B11R0.4 CCSCCNC[C@@H](O)CC#N 2230a_100000106463_100000001066 [0,2,0,0,0,0|2,0,0]=4 7837 B11R0.4 CCSCCOCC(N)COC 34a_100000724102_100000757381 [0,2,0,0,0,0|2,0,0]=4 7838 B11R0.4 CCSCCOCC(O)COC 34a_100000212035_100011215053 [0,2,0,0,0,0|1,0,0]=3 7839 B11R0.4 CCSCCOCC(O)COC 7a_100000212035_100011215053 [0,2,0,0,0,0|1,0,0]=3 7840 B11R0.4 CCSCCOC[C@@H](O)CC#N 7a_100000212035_100000001066 [0,2,0,0,0,0|2,0,0]=4 7841 B11R0.4 CCSCCSCC(O)COC 62a_100000757381_100011215053 [0,2,0,0,0,0|1,0,0]=3 7842 B11R0.4 CCSCCSCC(O)COC 62a_100011215053_100000757381 [0,2,0,0,0,0|1,0,0]=3 7843 B11R0.4 CCSCCSC[C@@H](O)CC#N 62a_100000001066_100000757381 [0,2,0,0,0,0|2,0,0]=4 7844 B11R0.4 CCSCCSC[C@@H](O)CC#N 62a_100000757381_100000001066 [0,2,0,0,0,0|2,0,0]=4 7845 B11R0.4 CN(CCO)CCCCCCF 2230a_100000210263_100015922095 [0,2,0,0,0,0|2,0,0]=4 7846 B11R0.4 CN(CCO)CCCCCCF 269982a_100000210263_100015922095 [0,2,0,0,0,0|2,0,0]=4 7847 B11R0.4 CN(CCO)CCCCCCO 2230a_100000210263_100000766143 [0,2,0,0,0,0|2,0,0]=4 7848 B11R0.4 CN(CCO)CCCCCCO 269982a_100000210263_100000766143 [0,2,0,0,0,0|2,0,0]=4 7849 B11R0.4 CNCCCOCC(O)COC 34a_100000213112_100011215053 [0,2,0,0,0,0|1,0,0]=3 7850 B11R0.4 COCC(=O)CCCCCCF 1458a_100000210968_100015922095 [0,2,0,0,0,0|0,0,2]=4 7851 B11R0.4 COCC(=O)CCCCCCO 1458a_100000210968_100000766143 [0,2,0,0,0,0|0,0,2]=4 7852 B11R0.4 COCC(C)NCCCCCO 2230a_100000762737_100000765312 [0,2,0,0,0,0|2,0,0]=4 7853 B11R0.4 COCC(C)NCCCCCO 270004a_100000762737_100000749346 [0,2,0,0,0,0|2,0,0]=4 7854 B11R0.4 COCC(C)NCCCCCO 34a_100000762737_100000765312 [0,2,0,0,0,0|2,0,0]=4 7855 B11R0.4 COCC(C)OCCCCCBr 34a_100000746331_100000765312 [0,2,0,0,0,0|2,0,0]=4 7856 B11R0.4 COCC(C)OCCCCCBr 7a_100000746331_100000765312 [0,2,0,0,0,0|2,0,0]=4 7857 B11R0.4 COCC(C)OCCCCCCl 34a_100000746330_100000765312 [0,2,0,0,0,0|2,0,0]=4 7858 B11R0.4 COCC(C)OCCCCCCl 7a_100000746330_100000765312 [0,2,0,0,0,0|2,0,0]=4 7859 B11R0.4 COCC(C)OCCCCCI 34a_200012148887_100000765312 [0,2,0,0,0,0|2,0,0]=4 7860 B11R0.4 COCC(C)OCCCCCI 7a_200012148887_100000765312 [0,2,0,0,0,0|2,0,0]=4 7861 B11R0.4 COCC(C)OCCCCCN 34a_100000762737_100000765312 [0,2,0,0,0,0|2,0,0]=4 7862 B11R0.4 COCC(C)OCCCCSC 34a_100011217163_100000765312 [0,2,0,0,0,0|2,0,0]=4 7863 B11R0.4 COCC(C)OCCCCSC 7a_100011217163_100000765312 [0,2,0,0,0,0|2,0,0]=4 7864 B11R0.4 COCC(C)SCCCCCF 62a_100000729378_100000765312 [0,2,0,0,0,0|2,0,0]=4 7865 B11R0.4 COCC(C)SCCCCCF 62a_100000765312_100000729378 [0,2,0,0,0,0|2,0,0]=4 7866 B11R0.4 COCC(C)SCCCCCO 62a_100000746330_100000765312 [0,2,0,0,0,0|2,0,0]=4 7867 B11R0.4 COCC(C)SCCCCCO 62a_100000765312_100000746330 [0,2,0,0,0,0|2,0,0]=4 7868 B11R0.4 COCC(N)COCCCCF 34a_100000724102_100000729493 [0,2,0,0,0,0|2,0,0]=4 7869 B11R0.4 COCC(N)COCCCCO 34a_100000724102_100011216708 [0,2,0,0,0,0|2,0,0]=4 7870 B11R0.4 COCC(O)CNCCCC#N 2230a_100000756049_100000687738 [0,2,0,0,0,0|1,0,1]=4 7871 B11R0.4 COCC(O)CNCCCC=O 2230a_100000756049_200011292268 [0,2,0,0,0,0|1,0,1]=4 7872 B11R0.4 COCC(O)CNCCCCF 2230a_100000756049_100000729493 [0,2,0,0,0,0|1,0,0]=3 7873 B11R0.4 COCC(O)CNCCCCF 34a_100000756049_100000729493 [0,2,0,0,0,0|1,0,0]=3 7874 B11R0.4 COCC(O)CNCCCCO 2230a_100000756049_100000210776 [0,2,0,0,0,0|1,0,0]=3 7875 B11R0.4 COCC(O)CNCCCCO 34a_100000750430_100011215053 [0,2,0,0,0,0|1,0,0]=3 7876 B11R0.4 COCC(O)CNCCCCO 34a_100000756049_100011216708 [0,2,0,0,0,0|1,0,0]=3 7877 B11R0.4 COCC(O)COCCCCBr 34a_100011216708_100011215053 [0,2,0,0,0,0|1,0,0]=3 7878 B11R0.4 COCC(O)COCCCCCl 34a_100000210776_100011215053 [0,2,0,0,0,0|1,0,0]=3 7879 B11R0.4 COCC(O)COCCCCCl 7a_100000210776_100011215053 [0,2,0,0,0,0|1,0,0]=3 7880 B11R0.4 COCC(O)COCCCCF 34a_100011995726_100011215053 [0,2,0,0,0,0|1,0,0]=3 7881 B11R0.4 COCC(O)COCCCCF 7a_100011995726_100011215053 [0,2,0,0,0,0|1,0,0]=3 7882 B11R0.4 COCC(O)COCCCCI 34a_200012148704_100011215053 [0,2,0,0,0,0|1,0,0]=3 7883 B11R0.4 COCC(O)COCCCCN 34a_100000750430_100011215053 [0,2,0,0,0,0|1,0,0]=3 7884 B11R0.4 COCC(O)COCCCSC 34a_100000690336_100011215053 [0,2,0,0,0,0|1,0,0]=3 7885 B11R0.4 COCC(O)COCCCSC 7a_100000690336_100011215053 [0,2,0,0,0,0|1,0,0]=3 7886 B11R0.4 COCC(O)CSCCCC#N 62a_100000687738_100011215053 [0,2,0,0,0,0|1,0,1]=4 7887 B11R0.4 COCC(O)CSCCCC#N 62a_100011215053_100000687738 [0,2,0,0,0,0|1,0,1]=4 7888 B11R0.4 COCC(O)CSCCCC=O 62a_100011215053_200011292268 [0,2,0,0,0,0|1,0,1]=4 7889 B11R0.4 COCC(O)CSCCCC=O 62a_200011292268_100011215053 [0,2,0,0,0,0|1,0,1]=4 7890 B11R0.4 COCC(O)CSCCCCF 62a_100000729493_100011215053 [0,2,0,0,0,0|1,0,0]=3 7891 B11R0.4 COCC(O)CSCCCCF 62a_100011215053_100000729493 [0,2,0,0,0,0|1,0,0]=3 7892 B11R0.4 COCC(O)CSCCCCO 62a_100000210776_100011215053 [0,2,0,0,0,0|1,0,0]=3 7893 B11R0.4 COCC(O)CSCCCCO 62a_100011215053_100000210776 [0,2,0,0,0,0|1,0,0]=3 7894 B11R0.4 COCCCCCC(=O)CCO 1458a_100011935119_100000211926 [0,2,0,0,0,0|0,0,2]=4 7895 B11R0.4 COCCCCN[C@H](C)CCO 2230a_100000706166_100000730899 [0,2,0,0,0,0|2,0,0]=4 7896 B11R0.4 COCCCCN[C@H](C)CCO 34a_100000706166_100000755781 [0,2,0,0,0,0|2,0,0]=4 7897 B11R0.4 COCCCCN[C@H](C)COC 2230a_100000764878_100000730899 [0,2,0,0,0,0|2,0,0]=4 7898 B11R0.4 COCCCCOC(C)CCO 34a_100000740925_100009893172 [0,2,0,0,0,0|2,0,0]=4 7899 B11R0.4 COCCCCOC(C)COC 34a_100000740925_100000765312 [0,2,0,0,0,0|2,0,0]=4 7900 B11R0.4 COCCCCO[C@H](C)COC 34a_100011934205_100000755781 [0,2,0,0,0,0|2,0,0]=4 7901 B11R0.4 COCCCCSC(C)CCO 62a_100000730899_100009893172 [0,2,0,0,0,0|2,0,0]=4 7902 B11R0.4 COCCCCSC(C)CCO 62a_100009893172_100000730899 [0,2,0,0,0,0|2,0,0]=4 7903 B11R0.4 COCCCCSC(C)COC 62a_100000730899_100000765312 [0,2,0,0,0,0|2,0,0]=4 7904 B11R0.4 COCCCCSC(C)COC 62a_100000765312_100000730899 [0,2,0,0,0,0|2,0,0]=4 7905 B11R0.4 COCCCNCC(O)COC 2230a_100000756049_100000740836 [0,2,0,0,0,0|1,0,0]=3 7906 B11R0.4 COCCCNCC(O)COC 34a_100000756049_100000740836 [0,2,0,0,0,0|1,0,0]=3 7907 B11R0.4 COCCCNCC(O)COC 34a_100150723488_100011215053 [0,2,0,0,0,0|1,0,0]=3 7908 B11R0.4 COCCCOCC(N)COC 34a_100000724102_100000740836 [0,2,0,0,0,0|2,0,0]=4 7909 B11R0.4 COCCCOCC(O)COC 34a_100000740835_100011215053 [0,2,0,0,0,0|1,0,0]=3 7910 B11R0.4 COCCCSCC(O)COC 62a_100000709357_100011215053 [0,2,0,0,0,0|1,0,0]=3 7911 B11R0.4 COCCCSCC(O)COC 62a_100011215053_100000709357 [0,2,0,0,0,0|1,0,0]=3 7912 B11R0.4 COCCCSC[C@@H](O)CC#N 62a_100000001066_100000709357 [0,2,0,0,0,0|2,0,0]=4 7913 B11R0.4 COCCCSC[C@@H](O)CC#N 62a_100000709357_100000001066 [0,2,0,0,0,0|2,0,0]=4 7914 B11R0.4 COC[C@@H](C)NCCCCCF 2230a_100000764878_100000729378 [0,2,0,0,0,0|2,0,0]=4 7915 B11R0.4 COC[C@@H](C)NCCCCCO 2230a_100000764878_100000746330 [0,2,0,0,0,0|2,0,0]=4 7916 B11R0.4 COC[C@@H](C)OCCCCCF 34a_100011934205_100000729378 [0,2,0,0,0,0|2,0,0]=4 7917 B11R0.4 COC[C@@H](C)OCCCCCO 34a_100011934205_100000746330 [0,2,0,0,0,0|2,0,0]=4 7918 B11R0.4 CSCCCCOC(C)CCO 34a_100011217163_100009893172 [0,2,0,0,0,0|2,0,0]=4 7919 B11R0.4 CSCCCCOC(C)CCO 7a_100011217163_100009893172 [0,2,0,0,0,0|2,0,0]=4 7920 B11R0.4 CSCCCNC[C@@H](O)CC#N 2230a_100000749238_100000001066 [0,2,0,0,0,0|2,0,0]=4 7921 B11R0.4 CSCCCOC[C@@H](O)CC#N 7a_100000690336_100000001066 [0,2,0,0,0,0|2,0,0]=4 7922 B11R0.4 C[C@H](CCO)NCCCCCF 2230a_100000706166_100000729378 [0,2,0,0,0,0|2,0,0]=4 7923 B11R0.4 C[C@H](CCO)NCCCCCF 34a_100000706166_100000729378 [0,2,0,0,0,0|2,0,0]=4 7924 B11R0.4 C[C@H](CCO)NCCCCCO 2230a_100000706166_100000746330 [0,2,0,0,0,0|2,0,0]=4 7925 B11R0.4 C[C@H](CCO)NCCCCCO 34a_100000706166_100000746330 [0,2,0,0,0,0|2,0,0]=4 7926 B11R0.4 N#CC[C@H](O)CNCCCCO 2230a_100000750430_100000001066 [0,2,0,0,0,0|2,0,0]=4 7927 B11R0.4 N#CC[C@H](O)COCCCCCl 7a_100000210776_100000001066 [0,2,0,0,0,0|2,0,0]=4 7928 B11R0.4 N#CC[C@H](O)COCCCCF 7a_100011995726_100000001066 [0,2,0,0,0,0|2,0,0]=4 7929 B11R0.4 N#CC[C@H](O)CSCCCCF 62a_100000001066_100000729493 [0,2,0,0,0,0|2,0,0]=4 7930 B11R0.4 N#CC[C@H](O)CSCCCCF 62a_100000729493_100000001066 [0,2,0,0,0,0|2,0,0]=4 7931 B11R0.4 N#CC[C@H](O)CSCCCCO 62a_100000001066_100000210776 [0,2,0,0,0,0|2,0,0]=4 7932 B11R0.4 N#CC[C@H](O)CSCCCCO 62a_100000210776_100000001066 [0,2,0,0,0,0|2,0,0]=4 7933 B11R0.4 O=C(CCO)CCCCCCF 1458a_100011216618_100015922095 [0,2,0,0,0,0|0,0,2]=4 7934 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011216618_100000766143 [0,2,0,0,0,0|0,0,2]=4 7935 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011996774_100000211926 [0,2,0,0,0,0|0,0,2]=4 7936 B11R0.5 CCCCC(C)NC(C)CCO 2230a_100000126638_100009893172 [0,2,0,0,0,0|2,0,0]=4 7937 B11R0.5 CCCCC(C)NC(C)COC 2230a_100000126638_100000765312 [0,2,0,0,0,0|2,0,0]=4 7938 B11R0.5 CCCCC(C)NC(C)COC 270004a_100000126638_100000749346 [0,2,0,0,0,0|2,0,0]=4 7939 B11R0.5 CCCCC(C)N[C@H](C)CCO 2230a_100000706166_200011215066 [0,2,0,0,0,0|2,0,0]=4 7940 B11R0.5 CCCCC(C)N[C@H](C)CCO 270004a_100000706166_100000210087 [0,2,0,0,0,0|2,0,0]=4 7941 B11R0.5 CCCCC(C)N[C@H](C)CCO 34a_100000706166_200011215066 [0,2,0,0,0,0|2,0,0]=4 7942 B11R0.5 CCCCC(C)N[C@H](C)COC 2230a_100000764878_200011215066 [0,2,0,0,0,0|2,0,0]=4 7943 B11R0.5 CCCCC(C)N[C@H](C)COC 270004a_100000764878_100000210087 [0,2,0,0,0,0|2,0,0]=4 7944 B11R0.5 CCCCC(C)OC(C)CCO 34a_100000687866_100009893172 [0,2,0,0,0,0|2,0,0]=4 7945 B11R0.5 CCCCC(C)OC(C)CCO 7a_100000687866_100009893172 [0,2,0,0,0,0|2,0,0]=4 7946 B11R0.5 CCCCC(C)OC(C)COC 34a_100000687866_100000765312 [0,2,0,0,0,0|2,0,0]=4 7947 B11R0.5 CCCCC(C)OC(C)COC 7a_100000687866_100000765312 [0,2,0,0,0,0|2,0,0]=4 7948 B11R0.5 CCCCC(C)O[C@H](C)COC 34a_100011934205_200011215066 [0,2,0,0,0,0|2,0,0]=4 7949 B11R0.5 CCCCC(C)SC(C)CCO 62a_100009893172_200011215066 [0,2,0,0,0,0|2,0,0]=4 7950 B11R0.5 CCCCC(C)SC(C)CCO 62a_200011215066_100009893172 [0,2,0,0,0,0|2,0,0]=4 7951 B11R0.5 CCCCC(C)SC(C)COC 62a_100000765312_200011215066 [0,2,0,0,0,0|2,0,0]=4 7952 B11R0.5 CCCCC(C)SC(C)COC 62a_200011215066_100000765312 [0,2,0,0,0,0|2,0,0]=4 7953 B11R0.5 CCCCN(C)CC(O)COC 2230a_100000739405_100000210211 [0,2,0,0,0,0|1,0,0]=3 7954 B11R0.5 CCCCN(C)CC(O)COC 269982a_100000739405_100000210211 [0,2,0,0,0,0|1,0,0]=3 7955 B11R0.5 CCCCN(C)C[C@@H](O)CC#N 2230a_100000207549_100000001066 [0,2,0,0,0,0|2,0,0]=4 7956 B11R0.5 CCOCN(C)CC(O)COC 269982a_100000739405_100000739092 [0,2,0,0,0,0|2,0,0]=4 7957 B11R0.5 COCC(O)CN(C)CCCF 2230a_100000739405_100011934791 [0,2,0,0,0,0|2,0,0]=4 7958 B11R0.5 COCC(O)CN(C)CCCF 269982a_100000739405_100011934791 [0,2,0,0,0,0|2,0,0]=4 7959 B11R0.5 COCC(O)CN(C)CCCO 2230a_100000739405_100000230001 [0,2,0,0,0,0|2,0,0]=4 7960 B11R0.5 COCC(O)CN(C)CCCO 269982a_100000739405_100011215043 [0,2,0,0,0,0|2,0,0]=4 7961 B11R0.5 COCC(O)CN(C)CCSC 2230a_100000739405_100000751147 [0,2,0,0,0,0|2,0,0]=4 7962 B11R0.5 COCC(O)CN(C)CCSC 269982a_100000739405_100000212216 [0,2,0,0,0,0|2,0,0]=4 7963 B11R0.5 COCCN(C)CC(O)COC 2230a_100000739405_100011201679 [0,2,0,0,0,0|2,0,0]=4 7964 B11R0.5 COCCN(C)CC(O)COC 269982a_100000739405_100000233755 [0,2,0,0,0,0|2,0,0]=4 7965 B11R0.62 CCCC(=O)NCC(O)COC 240690a_100000756049_100000211992 [0,2,0,0,0,0|1,0,1]=4 7966 B11R0.62 CCCC(=O)NCC(O)COC 527a_100000756049_100000211992 [0,2,0,0,0,0|1,0,1]=4 7967 B11R0.62 CCCC(C)CCC(C)NCC 270004a_100015525214_200011216527 [0,2,0,0,0,0|2,0,0]=4 7968 B11R0.62 CCCC(C)CN[C@H](C)CCO 2230a_100000706166_100011216630 [0,2,0,0,0,0|2,0,0]=4 7969 B11R0.62 CCCC(C)CN[C@H](C)CCO 270004a_100000706166_100000243154 [0,2,0,0,0,0|2,0,0]=4 7970 B11R0.62 CCCC(C)CN[C@H](C)CCO 34a_100000706166_100011216630 [0,2,0,0,0,0|2,0,0]=4 7971 B11R0.62 CCCC(C)CN[C@H](C)COC 2230a_100000764878_100011216630 [0,2,0,0,0,0|2,0,0]=4 7972 B11R0.62 CCCC(C)CN[C@H](C)COC 270004a_100000764878_100000243154 [0,2,0,0,0,0|2,0,0]=4 7973 B11R0.62 CCCC(C)COC(C)CCO 34a_100000688023_100009893172 [0,2,0,0,0,0|2,0,0]=4 7974 B11R0.62 CCCC(C)COC(C)CCO 7a_100000688023_100009893172 [0,2,0,0,0,0|2,0,0]=4 7975 B11R0.62 CCCC(C)COC(C)COC 34a_100000688023_100000765312 [0,2,0,0,0,0|2,0,0]=4 7976 B11R0.62 CCCC(C)COC(C)COC 7a_100000688023_100000765312 [0,2,0,0,0,0|2,0,0]=4 7977 B11R0.62 CCCC(C)CO[C@H](C)COC 34a_100011934205_100011216630 [0,2,0,0,0,0|2,0,0]=4 7978 B11R0.62 CCCC(C)CSC(C)CCO 62a_100009893172_100011216630 [0,2,0,0,0,0|2,0,0]=4 7979 B11R0.62 CCCC(C)CSC(C)CCO 62a_100011216630_100009893172 [0,2,0,0,0,0|2,0,0]=4 7980 B11R0.62 CCCC(C)CSC(C)COC 62a_100000765312_100011216630 [0,2,0,0,0,0|2,0,0]=4 7981 B11R0.62 CCCC(C)CSC(C)COC 62a_100011216630_100000765312 [0,2,0,0,0,0|2,0,0]=4 7982 B11R0.62 CCCC(C)NCC(O)COC 2230a_100000756049_100000766640 [0,2,0,0,0,0|1,0,0]=3 7983 B11R0.62 CCCC(C)NCC(O)COC 270004a_100000756049_100000211909 [0,2,0,0,0,0|1,0,0]=3 7984 B11R0.62 CCCC(C)NCC(O)COC 34a_100000756049_100000766640 [0,2,0,0,0,0|1,0,0]=3 7985 B11R0.62 CCCC(C)NC[C@@H](O)CC#N 2230a_100000741246_100000001066 [0,2,0,0,0,0|2,0,0]=4 7986 B11R0.62 CCCC(C)OCC(N)COC 34a_100000724102_100000766640 [0,2,0,0,0,0|2,0,0]=4 7987 B11R0.62 CCCC(C)OCC(O)COC 34a_100000764384_100011215053 [0,2,0,0,0,0|1,0,0]=3 7988 B11R0.62 CCCC(C)OCC(O)COC 7a_100000764384_100011215053 [0,2,0,0,0,0|1,0,0]=3 7989 B11R0.62 CCCC(C)OC[C@@H](O)CC#N 7a_100000764384_100000001066 [0,2,0,0,0,0|2,0,0]=4 7990 B11R0.62 CCCC(C)SCC(O)COC 62a_100000766640_100011215053 [0,2,0,0,0,0|1,0,0]=3 7991 B11R0.62 CCCC(C)SCC(O)COC 62a_100011215053_100000766640 [0,2,0,0,0,0|1,0,0]=3 7992 B11R0.62 CCCC(C)SC[C@@H](O)CC#N 62a_100000001066_100000766640 [0,2,0,0,0,0|2,0,0]=4 7993 B11R0.62 CCCC(C)SC[C@@H](O)CC#N 62a_100000766640_100000001066 [0,2,0,0,0,0|2,0,0]=4 7994 B11R0.62 CCC[C@H](N)COC(C)CCO 34a_100000732646_100009893172 [0,2,0,0,0,0|2,0,0]=4 7995 B11R0.62 CCC[C@H](N)COC(C)COC 34a_100000732646_100000765312 [0,2,0,0,0,0|2,0,0]=4 7996 B11R0.62 COCC(O)CNC(C)CCO 2230a_100000756049_100009893172 [0,2,0,0,0,0|2,0,0]=4 7997 B11R0.62 COCC(O)CNC(C)CCO 34a_100000756049_100009893172 [0,2,0,0,0,0|2,0,0]=4 7998 B11R0.62 COCC(O)CNC(C)COC 2230a_100000756049_100000765312 [0,2,0,0,0,0|2,0,0]=4 7999 B11R0.62 COCC(O)CNC(C)COC 270004a_100000756049_100000749346 [0,2,0,0,0,0|2,0,0]=4 8000 B11R0.62 COCC(O)CNC(C)COC 34a_100000756049_100000765312 [0,2,0,0,0,0|2,0,0]=4 8001 B11R0.62 COCC(O)CNC(C)CSC 270004a_100000756049_100011216314 [0,2,0,0,0,0|2,0,0]=4 8002 B11R0.62 COCC(O)CN[C@H](C)CCO 34a_100000706166_100011215053 [0,2,0,0,0,0|2,0,0]=4 8003 B11R0.62 COCC(O)COC(C)CCBr 34a_100012276601_100011215053 [0,2,0,0,0,0|2,0,0]=4 8004 B11R0.62 COCC(O)CO[C@H](C)COC 34a_100011934205_100011215053 [0,2,0,0,0,0|2,0,0]=4 8005 B11R0.62 COCC(O)CSC(C)CCO 62a_100009893172_100011215053 [0,2,0,0,0,0|2,0,0]=4 8006 B11R0.62 COCC(O)CSC(C)CCO 62a_100011215053_100009893172 [0,2,0,0,0,0|2,0,0]=4 8007 B11R0.62 COCC(O)CSC(C)COC 62a_100000765312_100011215053 [0,2,0,0,0,0|2,0,0]=4 8008 B11R0.62 COCC(O)CSC(C)COC 62a_100011215053_100000765312 [0,2,0,0,0,0|2,0,0]=4 8009 B11R0.81 C#CCNC(C)CCCCCC 2230a_100000210919_100000038162 [0,2,0,0,0,0|2,0,0]=4 8010 B11R0.81 C#CCNC(C)CCCCCC 34a_100000210919_100000184674 [0,2,0,0,0,0|2,0,0]=4 8011 B11R0.81 C#CCNC(C)CCCCCC 34a_100000212058_100011215978 [0,2,0,0,0,0|2,0,0]=4 8012 B11R0.81 C#CCOC(C)CCCCCC 34a_100000210247_100011215978 [0,2,0,0,0,0|2,0,0]=4 8013 B11R0.81 C#CCOC(C)CCCCCC 34a_100000210265_100000184674 [0,2,0,0,0,0|2,0,0]=4 8014 B11R0.81 C#CCOC(C)CCCCCC 7a_100000210265_100000038162 [0,2,0,0,0,0|2,0,0]=4 8015 B11R0.81 C#CCSC(C)CCCCCC 62a_100000038162_100011215978 [0,2,0,0,0,0|2,0,0]=4 8016 B11R0.81 C=CCNC(C)CCCCCC 2230a_100000210919_100000210623 [0,2,0,0,0,0|2,0,0]=4 8017 B11R0.81 C=CCNC(C)CCCCCC 2230a_100020586998_100011215978 [0,2,0,0,0,0|2,0,0]=4 8018 B11R0.81 C=CCNC(C)CCCCCC 270004a_100020586998_100000210826 [0,2,0,0,0,0|2,0,0]=4 8019 B11R0.81 C=CCNC(C)CCCCCC 34a_100000210919_100015514636 [0,2,0,0,0,0|2,0,0]=4 8020 B11R0.81 C=CCOC(C)CCCCCC 34a_100000210265_100015514636 [0,2,0,0,0,0|2,0,0]=4 8021 B11R0.81 C=CCOC(C)CCCCCC 34a_200000210373_100011215978 [0,2,0,0,0,0|2,0,0]=4 8022 B11R0.81 C=CCOC(C)CCCCCC 7a_100000210265_100015514636 [0,2,0,0,0,0|2,0,0]=4 8023 B11R0.81 C=CCSC(C)CCCCCC 62a_100000210623_100011215978 [0,2,0,0,0,0|2,0,0]=4 8024 B11R0.81 C=CCSC(C)CCCCCC 62a_100011215978_100000210623 [0,2,0,0,0,0|2,0,0]=4 8025 B11R0.81 CCCCCCC(=O)C#CCO 1458a_100000049017_100000210757 [0,2,0,0,0,0|0,0,2]=4 8026 B11R0.81 CCCCCCC(=O)CCCO 1458a_100102632555_100011215043 [0,2,0,0,0,0|0,0,2]=4 8027 B11R0.81 CCCCCCC(=O)CCOC 1458a_100000749529_100000210757 [0,2,0,0,0,0|0,0,2]=4 8028 B11R0.81 CCCCCCC(=O)CCOC 1458a_100102632555_100000233755 [0,2,0,0,0,0|0,0,2]=4 8029 B11R0.81 CCCCCCC(=O)COCC 1458a_100000211967_100000210757 [0,2,0,0,0,0|0,0,2]=4 8030 B11R0.81 CCCCCCC(=O)NCCO 240690a_100000210304_100102632555 [0,2,0,0,0,0|0,0,2]=4 8031 B11R0.81 CCCCCCC(=O)NCCO 527a_100000210304_100102632555 [0,2,0,0,0,0|0,0,2]=4 8032 B11R0.81 CCCCCCC(C)CCOC 34a_200011024964_200000210301 [0,2,0,0,0,0|1,0,0]=3 8033 B11R0.81 CCCCCCC(C)CCOC 7a_200011024964_200000210301 [0,2,0,0,0,0|1,0,0]=3 8034 B11R0.81 CCCCCCC(C)CCO[13CH3] 34a_200011024964_200025704644 [0,2,0,0,0,0|1,0,0]=3 8035 B11R0.81 CCCCCCC(C)CCO[13CH3] 7a_200011024964_200025704644 [0,2,0,0,0,0|1,0,0]=3 8036 B11R0.81 CCCCCCC(C)NCC#N 2230a_100000210919_100011215382 [0,2,0,0,0,0|2,0,0]=4 8037 B11R0.81 CCCCCCC(C)NCC=O 2230a_100000210919_200015260668 [0,2,0,0,0,0|1,0,1]=4 8038 B11R0.81 CCCCCCC(C)NCC=O 34a_100000210919_200009817547 [0,2,0,0,0,0|1,0,1]=4 8039 B11R0.81 CCCCCCC(C)NCCC 2230a_100000210919_100000210303 [0,2,0,0,0,0|2,0,0]=4 8040 B11R0.81 CCCCCCC(C)NCCC 270004a_100020643023_100000210826 [0,2,0,0,0,0|2,0,0]=4 8041 B11R0.81 CCCCCCC(C)NCCC 34a_100000210919_100000210303 [0,2,0,0,0,0|2,0,0]=4 8042 B11R0.81 CCCCCCC(C)NCCF 2230a_100000210919_100011217306 [0,2,0,0,0,0|2,0,0]=4 8043 B11R0.81 CCCCCCC(C)NCCF 34a_100000210919_100011217306 [0,2,0,0,0,0|2,0,0]=4 8044 B11R0.81 CCCCCCC(C)NCCF 34a_100000724931_100011215978 [0,2,0,0,0,0|2,0,0]=4 8045 B11R0.81 CCCCCCC(C)NCCO 2230a_100000210919_100000211926 [0,2,0,0,0,0|1,0,0]=3 8046 B11R0.81 CCCCCCC(C)NCCO 2230a_100016997473_100011215978 [0,2,0,0,0,0|1,0,0]=3 8047 B11R0.81 CCCCCCC(C)NCCO 270004a_100000210304_100000210826 [0,2,0,0,0,0|1,0,0]=3 8048 B11R0.81 CCCCCCC(C)NCCO 34a_100000210919_100000211926 [0,2,0,0,0,0|1,0,0]=3 8049 B11R0.81 CCCCCCC(C)NCCO 34a_100016990907_100011215978 [0,2,0,0,0,0|1,0,0]=3 8050 B11R0.81 CCCCCCC(C)NCOC 2230a_100000210919_100000766300 [0,2,0,0,0,0|1,0,0]=3 8051 B11R0.81 CCCCCCC(C)NCSC 2230a_100000210919_100011218213 [0,2,0,0,0,0|1,1,0]=4 8052 B11R0.81 CCCCCCC(C)NCSC 34a_100000210919_100011218213 [0,2,0,0,0,0|1,1,0]=4 8053 B11R0.81 CCCCCCC(C)OCC#N 7a_100000210265_100011215382 [0,2,0,0,0,0|2,0,0]=4 8054 B11R0.81 CCCCCCC(C)OCC=O 34a_100000210265_200009817547 [0,2,0,0,0,0|1,0,1]=4 8055 B11R0.81 CCCCCCC(C)OCC=O 7a_100000210265_200015260668 [0,2,0,0,0,0|1,0,1]=4 8056 B11R0.81 CCCCCCC(C)OCCBr 34a_100000211926_100011215978 [0,2,0,0,0,0|2,0,0]=4 8057 B11R0.81 CCCCCCC(C)OCCC 34a_100000210258_100011215978 [0,2,0,0,0,0|2,0,0]=4 8058 B11R0.81 CCCCCCC(C)OCCC 34a_100000210265_100000210303 [0,2,0,0,0,0|2,0,0]=4 8059 B11R0.81 CCCCCCC(C)OCCC 7a_100000210265_100000210303 [0,2,0,0,0,0|2,0,0]=4 8060 B11R0.81 CCCCCCC(C)OCCF 34a_100000210265_100011217306 [0,2,0,0,0,0|2,0,0]=4 8061 B11R0.81 CCCCCCC(C)OCCF 7a_100000210265_100011217306 [0,2,0,0,0,0|2,0,0]=4 8062 B11R0.81 CCCCCCC(C)OCCN 34a_100000210304_100011215978 [0,2,0,0,0,0|2,0,0]=4 8063 B11R0.81 CCCCCCC(C)OCCO 34a_100000210265_100000211926 [0,2,0,0,0,0|1,0,0]=3 8064 B11R0.81 CCCCCCC(C)OCCO 7a_100000210265_100000211926 [0,2,0,0,0,0|1,0,0]=3 8065 B11R0.81 CCCCCCC(C)OCSC 34a_100000210265_100011218213 [0,2,0,0,0,0|1,1,0]=4 8066 B11R0.81 CCCCCCC(C)SCC#N 62a_100011215382_100011215978 [0,2,0,0,0,0|2,0,0]=4 8067 B11R0.81 CCCCCCC(C)SCC#N 62a_100011215978_100011215382 [0,2,0,0,0,0|2,0,0]=4 8068 B11R0.81 CCCCCCC(C)SCC=O 62a_100011215978_200015260668 [0,2,0,0,0,0|1,0,1]=4 8069 B11R0.81 CCCCCCC(C)SCC=O 62a_200015260668_100011215978 [0,2,0,0,0,0|1,0,1]=4 8070 B11R0.81 CCCCCCC(C)SCCC 62a_100000210303_100011215978 [0,2,0,0,0,0|2,0,0]=4 8071 B11R0.81 CCCCCCC(C)SCCC 62a_100011215978_100000210303 [0,2,0,0,0,0|2,0,0]=4 8072 B11R0.81 CCCCCCC(C)SCCF 62a_100011215978_100011217306 [0,2,0,0,0,0|2,0,0]=4 8073 B11R0.81 CCCCCCC(C)SCCF 62a_100011217306_100011215978 [0,2,0,0,0,0|2,0,0]=4 8074 B11R0.81 CCCCCCC(C)SCCO 62a_100000211926_100011215978 [0,2,0,0,0,0|1,0,0]=3 8075 B11R0.81 CCCCCCC(C)SCCO 62a_100011215978_100000211926 [0,2,0,0,0,0|1,0,0]=3 8076 B11R0.81 CCCCCCC(C)SCOC 62a_100000766300_100011215978 [0,2,0,0,0,0|1,0,0]=3 8077 B11R0.81 CCCCCCC(C)SCOC 62a_100011215978_100000766300 [0,2,0,0,0,0|1,0,0]=3 8078 B11R0.81 CCCCCCC(C)SCSC 62a_100011215978_100011218213 [0,2,0,0,0,0|1,1,0]=4 8079 B11R0.81 CCCCCCC(C)SCSC 62a_100011218213_100011215978 [0,2,0,0,0,0|1,1,0]=4 8080 B11R0.81 CCCCCCN(C)CCCO 2230a_100000213112_100000210314 [0,2,0,0,0,0|2,0,0]=4 8081 B11R0.81 CCCCCCN(C)CCCO 2230a_106256046315_100000230001 [0,2,0,0,0,0|2,0,0]=4 8082 B11R0.81 CCCCCCN(C)CCCO 269982a_100000213112_100000210757 [0,2,0,0,0,0|2,0,0]=4 8083 B11R0.81 CCCCCCN(C)CCCO 269982a_106256046315_100011215043 [0,2,0,0,0,0|2,0,0]=4 8084 B11R0.81 CCCCCCN(C)CCOC 2230a_100000743101_100000210314 [0,2,0,0,0,0|2,0,0]=4 8085 B11R0.81 CCCCCCN(C)CCOC 2230a_106256046315_100011201679 [0,2,0,0,0,0|2,0,0]=4 8086 B11R0.81 CCCCCCN(C)CCOC 269982a_100000743101_100000210757 [0,2,0,0,0,0|2,0,0]=4 8087 B11R0.81 CCCCCCN(C)CCOC 269982a_106256046315_100000233755 [0,2,0,0,0,0|2,0,0]=4 8088 B11R0.81 CCCCCCN(C)COCC 269982a_106256046315_100000739092 [0,2,0,0,0,0|2,0,0]=4 8089 B11R0.81 CCCCCNC(C)CCOC 270004a_100000209983_100000742357 [0,2,0,0,0,0|2,0,0]=4 8090 B11R0.81 CCCCCOC(C)COCC 34a_100000718985_100000718602 [0,2,0,0,0,0|2,0,0]=4 8091 B11R0.81 CCCCCOC(C)COCC 7a_100000718985_100000210326 [0,2,0,0,0,0|2,0,0]=4 8092 B11R0.81 CCCCNCC(O)COCC 2230a_102515437182_100000210211 [0,2,0,0,0,0|1,0,0]=3 8093 B11R0.81 CCCCNCC(O)COCC 34a_102515437182_100000210210 [0,2,0,0,0,0|1,0,0]=3 8094 B11R0.81 CCCCNC[C@H](C)CCCO 2230a_100160569302_100000210211 [0,2,0,0,0,0|2,0,0]=4 8095 B11R0.81 CCCCNC[C@H](C)CCCO 34a_100160569302_100000210210 [0,2,0,0,0,0|2,0,0]=4 8096 B11R0.81 CCCCOCC(C)OCCO 34a_100011217071_100000211926 [0,2,0,0,0,0|2,0,0]=4 8097 B11R0.81 CCCCOCC(C)OCCO 7a_100011217071_100000211926 [0,2,0,0,0,0|2,0,0]=4 8098 B11R0.81 CCCCOC[C@@H](C)OCOC 34a_100016172286_100000210210 [0,2,0,0,0,0|2,0,0]=4 8099 B11R0.81 CCCCOC[C@@H](C)OCOC 7a_100016172286_100000210211 [0,2,0,0,0,0|2,0,0]=4 8100 B11R0.81 CCOCC(O)CNCCCF 2230a_102515437182_100011934791 [0,2,0,0,0,0|2,0,0]=4 8101 B11R0.81 CCOCC(O)CNCCCF 34a_102515437182_100011934791 [0,2,0,0,0,0|2,0,0]=4 8102 B11R0.81 CCOCC(O)CNCCCO 2230a_102515437182_100000230001 [0,2,0,0,0,0|2,0,0]=4 8103 B11R0.81 CCOCC(O)CNCCCO 34a_102515437182_100000230001 [0,2,0,0,0,0|2,0,0]=4 8104 B11R0.81 CCOCC(O)CNCCOC 2230a_102515437182_100011201679 [0,2,0,0,0,0|2,0,0]=4 8105 B11R0.81 CCOCC(O)CNCCOC 34a_102515437182_100011201679 [0,2,0,0,0,0|2,0,0]=4 8106 B11R0.81 CCOCC(O)CNCCSC 2230a_102515437182_100000751147 [0,2,0,0,0,0|2,0,0]=4 8107 B11R0.81 CCOCC(O)CNCCSC 34a_102515437182_100000212216 [0,2,0,0,0,0|2,0,0]=4 8108 B11R0.142 C#CCCCCC(=O)C(O)CO 1458a_100011215603_100010269958 [0,2,0,0,0,0|0,0,2]=4 8109 B11R0.142 C=CCCCCC(=O)C(O)CO 1458a_100011215603_100011215482 [0,2,0,0,0,0|0,0,2]=4 8110 B11R0.142 CC(CO)N(C)CCCCCF 2230a_100000693034_100000729378 [0,2,0,0,0,0|2,0,0]=4 8111 B11R0.142 CC(CO)N(C)CCCCCF 269982a_100000693034_100000729378 [0,2,0,0,0,0|2,0,0]=4 8112 B11R0.142 CC(CO)N(C)CCCCCO 2230a_100000693034_100000746330 [0,2,0,0,0,0|2,0,0]=4 8113 B11R0.142 CC(CO)N(C)CCCCCO 2230a_100000722520_100012180447 [0,2,0,0,0,0|2,0,0]=4 8114 B11R0.142 CC(CO)N(C)CCCCCO 269982a_100000693034_100000746330 [0,2,0,0,0,0|2,0,0]=4 8115 B11R0.142 CC/C=C\CCC(=O)C(O)CO 1458a_100011215603_100015370543 [0,2,0,0,0,0|0,0,2]=4 8116 B11R0.142 CCC(O)C(=O)CCCCCF 1458a_100011196387_100000729378 [0,2,0,0,0,0|1,0,1]=4 8117 B11R0.142 CCC(O)C(=O)CCCCCO 1458a_100011196387_100000746330 [0,2,0,0,0,0|1,0,1]=4 8118 B11R0.142 CCC(O)C(=O)CCCCOC 1458a_100011196387_100000755781 [0,2,0,0,0,0|1,0,1]=4 8119 B11R0.142 CCCCCCC(=O)C(C)CC 1458a_100011192722_100000210757 [0,2,0,0,0,0|2,0,0]=4 8120 B11R0.142 CCCCCCC(=O)C(C)CC 1458a_100102632555_100000758301 [0,2,0,0,0,0|2,0,0]=4 8121 B11R0.142 CCCCCCC(=O)C(C)OC 1458a_100000743197_100000210757 [0,2,0,0,0,0|0,0,2]=4 8122 B11R0.142 CCCCCCC(=O)C(O)CC 1458a_100011196387_100000210757 [0,2,0,0,0,0|1,0,0]=3 8123 B11R0.142 CCCCCCC(=O)C(O)CO 1458a_100011215603_100000210757 [0,2,0,0,0,0|0,0,0]=2 8124 B11R0.142 CCCCCCC(C)C(=O)CC 1458a_100000210414_100011215978 [0,2,0,0,0,0|2,0,0]=4 8125 B11R0.142 CCCCCCC(C)C(=O)CO 1458a_100000210174_100011215978 [0,2,0,0,0,0|1,0,0]=3 8126 B11R0.142 CCCCCCC(C)N(C)CC 2230a_100000225621_100011215978 [0,2,0,0,0,0|2,0,0]=4 8127 B11R0.142 CCCCCCC(C)N(C)CC 269982a_100000225621_100011215978 [0,2,0,0,0,0|2,0,0]=4 8128 B11R0.142 CCCCCCC(O)C(=O)CC 1458a_100011215828_100000210202 [0,2,0,0,0,0|1,0,0]=3 8129 B11R0.142 CCCCCCC(O)C(=O)CF 1458a_100011215828_100015361967 [0,2,0,0,0,0|1,0,0]=3 8130 B11R0.142 CCCCCCC(O)C(=O)NC 240690a_100102657272_100011215828 [0,2,0,0,0,0|0,0,2]=4 8131 B11R0.142 CCCCCCN(C)C(=O)CO 240690a_106256046315_100000210174 [0,2,0,0,0,0|0,0,2]=4 8132 B11R0.142 CCCCCCN(C)C(=O)CO 527a_106256046315_100000210174 [0,2,0,0,0,0|0,0,2]=4 8133 B11R0.142 CCCCCCN(C)C(C)CC 2230a_100000741768_100000210314 [0,2,0,0,0,0|2,0,0]=4 8134 B11R0.142 CCCCCCN(C)C(C)CC 2230a_106256046315_100000758301 [0,2,0,0,0,0|2,0,0]=4 8135 B11R0.142 CCCCCCN(C)C(C)CC 269982a_100000741768_100000210757 [0,2,0,0,0,0|2,0,0]=4 8136 B11R0.142 CCCCCCN(C)C(C)CC 269982a_106256046315_100000758301 [0,2,0,0,0,0|2,0,0]=4 8137 B11R0.142 CCCCCCN(C)C(C)CO 2230a_100000693034_100000210314 [0,2,0,0,0,0|1,0,0]=3 8138 B11R0.142 CCCCCCN(C)C(C)CO 2230a_106256046315_100012180447 [0,2,0,0,0,0|1,0,0]=3 8139 B11R0.142 CCCCCCN(C)C(C)CO 269982a_100000693034_100000210757 [0,2,0,0,0,0|1,0,0]=3 8140 B11R0.142 CCCCCCN(C)C(C)OC 269982a_106256046315_100009879195 [0,2,0,0,0,0|2,0,0]=4 8141 B11R0.142 CCCCCCN(C)[C@H](C)CO 269982a_106256046315_100016084084 [0,2,0,0,0,0|1,0,0]=3 8142 B11R0.142 CCCCCNC(=O)C(O)CC 240690a_100000209983_100011196387 [0,2,0,0,0,0|1,0,1]=4 8143 B11R0.142 CCCCCNC(=O)C(O)CO 240690a_100000209983_100011215603 [0,2,0,0,0,0|0,0,1]=3 8144 B11R0.142 CCCCCNC(C)C(C)CC 269862a_100000209983_100000210599 [0,2,0,0,0,0|2,0,0]=4 8145 B11R0.142 CCCCCNC(C)C(C)CC 270004a_100000209983_100000210599 [0,2,0,0,0,0|2,0,0]=4 8146 B11R0.142 CCCCCOC(C)C(C)CC 7a_100011215189_100000210326 [0,2,0,0,0,0|2,0,0]=4 8147 B11R0.142 CCCCNNC(=O)C(O)CO 22a_100025702795_100011215603 [0,2,0,0,0,0|1,0,1]=4 8148 B11R0.142 CCCCOCC(=O)C(O)CC 1458a_100011196387_100011995733 [0,2,0,0,0,0|1,0,1]=4 8149 B11R0.142 CCCCOCC(=O)C(O)CO 1458a_100011215603_100011995733 [0,2,0,0,0,0|0,0,1]=3 8150 B11R0.142 CCCCOCN(C)C(C)CO 2230a_100000693034_100011995733 [0,2,0,0,0,0|2,0,0]=4 8151 B11R0.142 CCCCOCN(C)C(C)CO 269982a_100000693034_100011995733 [0,2,0,0,0,0|2,0,0]=4 8152 B11R0.142 CCCOCCC(=O)C(O)CC 1458a_100011196387_100011215938 [0,2,0,0,0,0|1,0,1]=4 8153 B11R0.142 CCCOCCC(=O)C(O)CO 1458a_100011215603_100011215938 [0,2,0,0,0,0|0,0,1]=3 8154 B11R0.142 CCCOCCN(C)C(C)CO 2230a_100000693034_100011215938 [0,2,0,0,0,0|2,0,0]=4 8155 B11R0.142 CCCOCCN(C)C(C)CO 269982a_100000693034_100011215938 [0,2,0,0,0,0|2,0,0]=4 8156 B11R0.142 CCNN=CC[C@H](O)[C@H](O)CO 4a_100000756455_100000687587 [0,2,0,0,0,0|1,0,1]=4 8157 B11R0.142 CCOCCCC(=O)C(O)CC 1458a_100011196387_100012232248 [0,2,0,0,0,0|1,0,1]=4 8158 B11R0.142 CCOCCCC(=O)C(O)CO 1458a_100011215603_100012232248 [0,2,0,0,0,0|0,0,1]=3 8159 B11R0.142 CCOCCCN(C)C(C)CO 2230a_100000693034_100012232248 [0,2,0,0,0,0|2,0,0]=4 8160 B11R0.142 CCOCCCN(C)C(C)CO 269982a_100000693034_100012232248 [0,2,0,0,0,0|2,0,0]=4 8161 B11R0.142 CCOCCNC(=O)C(O)CO 240690a_100011200944_100011215603 [0,2,0,0,0,0|1,0,1]=4 8162 B11R0.142 CCSCCNC(=O)C(O)CO 240690a_100000106463_100011215603 [0,2,0,0,0,0|1,0,1]=4 8163 B11R0.142 COCCCCC(=O)C(O)CO 1458a_100011215603_100000755781 [0,2,0,0,0,0|0,0,1]=3 8164 B11R0.142 COCCCCN(C)C(C)CO 2230a_100000693034_100000730899 [0,2,0,0,0,0|2,0,0]=4 8165 B11R0.142 COCCCCN(C)C(C)CO 269982a_100000693034_100000730899 [0,2,0,0,0,0|2,0,0]=4 8166 B11R0.142 COCCCNC(=O)C(O)CO 240690a_100150723488_100011215603 [0,2,0,0,0,0|1,0,1]=4 8167 B11R0.142 CSCCCNC(=O)C(O)CO 240690a_100000749238_100011215603 [0,2,0,0,0,0|1,0,1]=4 8168 B11R0.142 C[C@H](CO)N(C)CCCCCO 269982a_100000722520_100016084084 [0,2,0,0,0,0|2,0,0]=4 8169 B11R0.142 N#CCCCCC(=O)C(O)CO 1458a_100011215603_100000211819 [0,2,0,0,0,0|0,0,2]=4 8170 B11R0.142 O=C(CCCCCF)C(O)CO 1458a_100011215603_100000729378 [0,2,0,0,0,0|0,0,1]=3 8171 B11R0.142 O=C(CCCCCO)C(O)CO 1458a_100011215603_100000746330 [0,2,0,0,0,0|0,0,1]=3 8172 B11R0.142 O=C(CCOCCO)C(O)CO 1458a_100011215603_100011215305 [0,2,0,0,0,0|1,0,1]=4 8173 B11R0.142 O=C(NCCCCO)C(O)CO 240690a_100000750430_100011215603 [0,2,0,0,0,0|1,0,1]=4 8174 B11R0.155 CCCCCC(=O)C(C)CCO 1458a_100000212188_100009893172 [0,2,0,0,0,0|1,0,1]=4 8175 B11R0.155 CCCCCC(=O)C(C)COC 1458a_100000212188_100000765312 [0,2,0,0,0,0|1,0,1]=4 8176 B11R0.155 CCCCCC(=O)C(C)COC 1458a_100000751857_100000210326 [0,2,0,0,0,0|1,0,1]=4 8177 B11R0.155 CCCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210326 [0,2,0,0,0,0|1,0,1]=4 8178 B11R0.155 CCCCCC(C)C(=O)CCO 1458a_100011215998_100000211926 [0,2,0,0,0,0|0,0,2]=4 8179 B11R0.155 CCCCCC(C)C(=O)CCO 1458a_100011216618_200011218191 [0,2,0,0,0,0|0,0,2]=4 8180 B11R0.155 CCCCCC(C)C(=O)COC 1458a_100000210968_200011218191 [0,2,0,0,0,0|0,0,2]=4 8181 B11R0.155 CCCCCC(C)N(C)CCO 2230a_100000210263_200011218191 [0,2,0,0,0,0|2,0,0]=4 8182 B11R0.155 CCCCCC(C)N(C)CCO 269982a_100000210263_200011218191 [0,2,0,0,0,0|2,0,0]=4 8183 B11R0.155 CCCCCC(C)N(C)CCO 270004a_100000210263_100000211708 [0,2,0,0,0,0|2,0,0]=4 8184 B11R0.155 CCCCCN(C)C(C)CCO 2230a_100000223495_100009893172 [0,2,0,0,0,0|2,0,0]=4 8185 B11R0.155 CCCCCN(C)C(C)CCO 2230a_100000731037_100000210326 [0,2,0,0,0,0|2,0,0]=4 8186 B11R0.155 CCCCCN(C)C(C)CCO 269982a_100000223495_100009893172 [0,2,0,0,0,0|2,0,0]=4 8187 B11R0.155 CCCCCN(C)C(C)CCO 269982a_100000731037_100000210215 [0,2,0,0,0,0|2,0,0]=4 8188 B11R0.155 CCCCCN(C)C(C)COC 2230a_100000223495_100000765312 [0,2,0,0,0,0|2,0,0]=4 8189 B11R0.155 CCCCCN(C)C(C)COC 269982a_100000223495_100000765312 [0,2,0,0,0,0|2,0,0]=4 8190 B11R0.155 CCCCCN(C)C(C)COC 270004a_100000223495_100000749346 [0,2,0,0,0,0|2,0,0]=4 8191 B11R0.161 C=CC(CCCCCC)OCC 34a_200011215977_100000210202 [0,2,0,0,0,0|1,0,1]=4 8192 B11R0.161 C=CC(CCCCCC)OCC 7a_200011215977_100000210202 [0,2,0,0,0,0|1,0,1]=4 8193 B11R0.161 C=CC(CCCCCC)OCF 34a_200011215977_100015361967 [0,2,0,0,0,0|1,0,1]=4 8194 B11R0.161 C=CC(CCCCCC)OCF 7a_200011215977_100015361967 [0,2,0,0,0,0|1,0,1]=4 8195 B11R0.161 C=CC[C@H](CO)NCCCCC 2230a_100020615467_100000210326 [0,2,0,0,0,0|2,0,0]=4 8196 B11R0.161 CCCCCCC(CC)NCC 270004a_100015525214_100011219640 [0,2,0,0,0,0|2,0,0]=4 8197 B11R0.161 CCCCCCC(CC)OCC 34a_100011215785_100000210202 [0,2,0,0,0,0|1,0,0]=3 8198 B11R0.161 CCCCCCC(CC)OCC 7a_100011215785_100000210202 [0,2,0,0,0,0|1,0,0]=3 8199 B11R0.161 CCCCCCC(CC)OCF 34a_100011215785_100015361967 [0,2,0,0,0,0|1,0,0]=3 8200 B11R0.161 CCCCCCC(CC)OCF 7a_100011215785_100015361967 [0,2,0,0,0,0|1,0,0]=3 8201 B11R0.161 CCCCCCC(CCC)NC 270004a_106832991635_200011215359 [0,2,0,0,0,0|2,0,0]=4 8202 B11R0.161 CCCCCCC(CCC)OC 34a_200011215193_200000210301 [0,2,0,0,0,0|1,0,0]=3 8203 B11R0.161 CCCCCCC(CCC)OC 7a_200011215193_200000210301 [0,2,0,0,0,0|1,0,0]=3 8204 B11R0.161 CCCCCCC(CCC)O[13CH3] 34a_200011215193_200025704644 [0,2,0,0,0,0|1,0,0]=3 8205 B11R0.161 CCCCCCC(CCC)O[13CH3] 7a_200011215193_200025704644 [0,2,0,0,0,0|1,0,0]=3 8206 B11R0.161 CCCCCCN(CC)CCO 2230a_100000210973_100000210314 [0,2,0,0,0,0|2,0,0]=4 8207 B11R0.161 CCCCCCN(CC)CCO 269982a_100000210973_100000210757 [0,2,0,0,0,0|2,0,0]=4 8208 B11R0.161 CCCCCNC(CC)COC 2230a_100000757820_100000210326 [0,2,0,0,0,0|2,0,0]=4 8209 B11R0.161 CCCCCNC(CC)COC 270004a_100000209983_100000757811 [0,2,0,0,0,0|2,0,0]=4 8210 B11R0.161 CCCCCNC(CO)COC 2230a_100000724102_100000210326 [0,2,0,0,0,0|1,0,0]=3 8211 B11R0.161 CCCCCNC(CO)COC 34a_100000724102_100000718602 [0,2,0,0,0,0|1,0,0]=3 8212 B11R0.161 CCCCCN[C@H](CO)CCC 2230a_100000732646_100000210326 [0,2,0,0,0,0|2,0,0]=4 8213 B11R0.161 CCCCCN[C@H](CO)CCC 34a_100000732646_100000718602 [0,2,0,0,0,0|2,0,0]=4 8214 B11R0.161 CCCCCOC(CC)COC 7a_200011214946_100000210326 [0,2,0,0,0,0|2,0,0]=4 8215 B11R0.161 CCCCCOC(CCl)COC 34a_100011215053_100000718602 [0,2,0,0,0,0|2,0,0]=4 8216 B11R0.161 CCCCCOC(CN)COC 34a_100000756049_100000718602 [0,2,0,0,0,0|2,0,0]=4 8217 B11R0.161 CCCCNCC(CC)OCC 2230a_100015183923_100000210211 [0,2,0,0,0,0|2,0,0]=4 8218 B11R0.161 CCCCNCC(CC)OCC 34a_100015183923_100000210210 [0,2,0,0,0,0|2,0,0]=4 8219 B11R0.161 CCOCCNC(CO)COC 2230a_100000724102_100011215890 [0,2,0,0,0,0|2,0,0]=4 8220 B11R0.161 CCOCCNC(CO)COC 34a_100000724102_100000210147 [0,2,0,0,0,0|2,0,0]=4 8221 B11R0.161 CCSCCNC(CO)COC 2230a_100000724102_100000757381 [0,2,0,0,0,0|2,0,0]=4 8222 B11R0.161 CCSCCNC(CO)COC 34a_100000724102_100000757381 [0,2,0,0,0,0|2,0,0]=4 8223 B11R0.161 COCC(CO)NCCCCF 2230a_100000724102_100000729493 [0,2,0,0,0,0|2,0,0]=4 8224 B11R0.161 COCC(CO)NCCCCF 34a_100000724102_100000729493 [0,2,0,0,0,0|2,0,0]=4 8225 B11R0.161 COCC(CO)NCCCCO 2230a_100000724102_100000210776 [0,2,0,0,0,0|2,0,0]=4 8226 B11R0.161 COCC(CO)NCCCCO 34a_100000724102_100011216708 [0,2,0,0,0,0|2,0,0]=4 8227 B11R0.161 COCCCNC(CO)COC 2230a_100000724102_100000740836 [0,2,0,0,0,0|2,0,0]=4 8228 B11R0.161 COCCCNC(CO)COC 34a_100000724102_100000740836 [0,2,0,0,0,0|2,0,0]=4 8229 B11R0.174 C=CC(O)COCC(C)CCC 34a_100000688023_100000730141 [0,2,0,0,0,0|1,0,1]=4 8230 B11R0.174 C=CC(O)COCC(C)CCC 7a_100000688023_100000730141 [0,2,0,0,0,0|1,0,1]=4 8231 B11R0.174 C=CC(O)COC[C@@H](N)CCC 34a_100000732646_100000730141 [0,2,0,0,0,0|1,0,1]=4 8232 B11R0.174 C=CC(O)CSCC(C)CCC 62a_100000730141_100011216630 [0,2,0,0,0,0|1,0,1]=4 8233 B11R0.174 C=CC(O)CSCC(C)CCC 62a_100011216630_100000730141 [0,2,0,0,0,0|1,0,1]=4 8234 B11R0.174 C=CCC(C)COCC(O)CO 34a_100009832082_100011219619 [0,2,0,0,0,0|0,0,2]=4 8235 B11R0.174 C=CCC(C)COCC(O)CO 7a_100009832082_100011219619 [0,2,0,0,0,0|0,0,2]=4 8236 B11R0.174 C=CCC(C)COC[C@@H](O)CO 34a_100009832082_100009815848 [0,2,0,0,0,0|0,0,2]=4 8237 B11R0.174 C=CCC(C)COC[C@@H](O)CO 7a_100009832082_100009815848 [0,2,0,0,0,0|0,0,2]=4 8238 B11R0.174 C=CC[C@@H](N)COCC(O)CO 34a_100020615467_100011219619 [0,2,0,0,0,0|0,0,2]=4 8239 B11R0.174 C=CC[C@@H](N)COC[C@@H](O)CO 34a_100020615467_100009815848 [0,2,0,0,0,0|0,0,2]=4 8240 B11R0.174 CC(CCN)COCC(O)CO 34a_106354213184_100011219619 [0,2,0,0,0,0|1,0,0]=3 8241 B11R0.174 CC(CCN)COC[C@@H](C)CO 34a_106354213184_100000059175 [0,2,0,0,0,0|2,0,0]=4 8242 B11R0.174 CC(CCN)COC[C@@H](O)CF 34a_106354213184_100015614560 [0,2,0,0,0,0|2,0,0]=4 8243 B11R0.174 CC(CCN)COC[C@@H](O)CO 34a_106354213184_100009815848 [0,2,0,0,0,0|1,0,0]=3 8244 B11R0.174 CC(CO)CCNC(C)CCO 2230a_106354213184_100009893172 [0,2,0,0,0,0|2,0,0]=4 8245 B11R0.174 CC(CO)CCNC(C)CCO 34a_106354213184_100009893172 [0,2,0,0,0,0|2,0,0]=4 8246 B11R0.174 CCC(=O)COCC(O)COC 34a_100000725409_100011215053 [0,2,0,0,0,0|1,0,1]=4 8247 B11R0.174 CCC(=O)CSCC(O)COC 62a_100000747405_100011215053 [0,2,0,0,0,0|1,0,1]=4 8248 B11R0.174 CCC(=O)CSCC(O)COC 62a_100011215053_100000747405 [0,2,0,0,0,0|1,0,1]=4 8249 B11R0.174 CCC(C)CCNC(C)CCO 2230a_100020591266_100009893172 [0,2,0,0,0,0|2,0,0]=4 8250 B11R0.174 CCC(C)CCNC(C)COC 2230a_100020591266_100000765312 [0,2,0,0,0,0|2,0,0]=4 8251 B11R0.174 CCC(C)CCNC(C)COC 270004a_100020591266_100000749346 [0,2,0,0,0,0|2,0,0]=4 8252 B11R0.174 CCC(C)CCOC(C)CCO 7a_100011215188_100009893172 [0,2,0,0,0,0|2,0,0]=4 8253 B11R0.174 CCC(C)CCOC(C)COC 7a_100011215188_100000765312 [0,2,0,0,0,0|2,0,0]=4 8254 B11R0.174 CCC(C)CNCC(O)COC 2230a_100000756049_100000748023 [0,2,0,0,0,0|1,0,0]=3 8255 B11R0.174 CCC(C)CNCC(O)COC 270004a_100000756049_100000243153 [0,2,0,0,0,0|1,0,0]=3 8256 B11R0.174 CCC(C)CNCC(O)COC 34a_100000756049_100000748023 [0,2,0,0,0,0|1,0,0]=3 8257 B11R0.174 CCC(C)CNC[C@@H](O)CC#N 2230a_100020588543_100000001066 [0,2,0,0,0,0|2,0,0]=4 8258 B11R0.174 CCC(C)COCC(N)COC 34a_100000724102_100000748023 [0,2,0,0,0,0|2,0,0]=4 8259 B11R0.174 CCC(C)CSCC(O)COC 62a_100000748023_100011215053 [0,2,0,0,0,0|1,0,0]=3 8260 B11R0.174 CCC(C)CSCC(O)COC 62a_100011215053_100000748023 [0,2,0,0,0,0|1,0,0]=3 8261 B11R0.174 CCC(C)CSC[C@@H](O)CC#N 62a_100000001066_100000748023 [0,2,0,0,0,0|2,0,0]=4 8262 B11R0.174 CCC(C)CSC[C@@H](O)CC#N 62a_100000748023_100000001066 [0,2,0,0,0,0|2,0,0]=4 8263 B11R0.174 CCC(O)CNCC(O)COC 2230a_100000756049_100011218378 [0,2,0,0,0,0|1,0,0]=3 8264 B11R0.174 CCC(O)CNCC(O)COC 34a_100000756049_100011218378 [0,2,0,0,0,0|1,0,0]=3 8265 B11R0.174 CCC(O)CNC[C@@H](O)CC#N 2230a_100011218483_100000001066 [0,2,0,0,0,0|2,0,0]=4 8266 B11R0.174 CCC(O)COCC(C)CCN 34a_106354213184_100011218378 [0,2,0,0,0,0|2,0,0]=4 8267 B11R0.174 CCC(O)COCC(N)COC 34a_100000724102_100011218378 [0,2,0,0,0,0|2,0,0]=4 8268 B11R0.174 CCC(O)CSCC(O)COC 62a_100011215053_100011218378 [0,2,0,0,0,0|1,0,0]=3 8269 B11R0.174 CCC(O)CSCC(O)COC 62a_100011218378_100011215053 [0,2,0,0,0,0|1,0,0]=3 8270 B11R0.174 CCC(O)CSC[C@@H](O)CC#N 62a_100000001066_100011218378 [0,2,0,0,0,0|2,0,0]=4 8271 B11R0.174 CCC(O)CSC[C@@H](O)CC#N 62a_100011218378_100000001066 [0,2,0,0,0,0|2,0,0]=4 8272 B11R0.174 CCCC(=O)CNCC(O)CC 2230a_100011218483_100000747444 [0,2,0,0,0,0|1,0,1]=4 8273 B11R0.174 CCCC(=O)CNC[C@H](O)CO 2230a_100020644852_100000747444 [0,2,0,0,0,0|0,0,1]=3 8274 B11R0.174 CCCC(=O)CSCC(O)CC 62a_100000747444_100011218378 [0,2,0,0,0,0|1,0,1]=4 8275 B11R0.174 CCCC(=O)CSCC(O)CC 62a_100011218378_100000747444 [0,2,0,0,0,0|1,0,1]=4 8276 B11R0.174 CCCC(=O)CSCC(O)CO 62a_100000747444_100011219619 [0,2,0,0,0,0|0,0,1]=3 8277 B11R0.174 CCCC(=O)CSCC(O)CO 62a_100011219619_100000747444 [0,2,0,0,0,0|0,0,1]=3 8278 B11R0.174 CCCC(=O)CSC[C@@H](C)CO 62a_100000059175_100000747444 [0,2,0,0,0,0|1,0,1]=4 8279 B11R0.174 CCCC(=O)CSC[C@@H](C)CO 62a_100000747444_100000059175 [0,2,0,0,0,0|1,0,1]=4 8280 B11R0.174 CCCC(=O)CSC[C@@H](O)CF 62a_100000747444_100015614560 [0,2,0,0,0,0|1,0,1]=4 8281 B11R0.174 CCCC(=O)CSC[C@@H](O)CF 62a_100015614560_100000747444 [0,2,0,0,0,0|1,0,1]=4 8282 B11R0.174 CCCC(=O)CSC[C@@H](O)CO 62a_100000747444_100009815848 [0,2,0,0,0,0|0,0,1]=3 8283 B11R0.174 CCCC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747444 [0,2,0,0,0,0|0,0,1]=3 8284 B11R0.174 CCCC(=O)NCCC(C)CO 240690a_106354213184_100000211992 [0,2,0,0,0,0|1,0,1]=4 8285 B11R0.174 CCCC(=O)NCCC(C)CO 527a_106354213184_100000211992 [0,2,0,0,0,0|1,0,1]=4 8286 B11R0.174 CCCC(C)CCOC(C)CC 34a_100011217855_100011215416 [0,2,0,0,0,0|2,0,0]=4 8287 B11R0.174 CCCC(C)CCOC(C)CC 7a_100011217855_100000758301 [0,2,0,0,0,0|2,0,0]=4 8288 B11R0.174 CCCC(C)CCOC(C)CO 34a_100011217855_100012180447 [0,2,0,0,0,0|1,0,0]=3 8289 B11R0.174 CCCC(C)CCOC(C)CO 7a_100011217855_100012180447 [0,2,0,0,0,0|1,0,0]=3 8290 B11R0.174 CCCC(C)CNCC(C)CC 2230a_100020588543_100011216630 [0,2,0,0,0,0|2,0,0]=4 8291 B11R0.174 CCCC(C)CNCC(C)CC 270004a_100020588543_100000243154 [0,2,0,0,0,0|2,0,0]=4 8292 B11R0.174 CCCC(C)CNCC(C)CO 34a_100000744482_100011216630 [0,2,0,0,0,0|1,0,0]=3 8293 B11R0.174 CCCC(C)CNCC(O)CC 2230a_100011218483_100011216630 [0,2,0,0,0,0|1,0,0]=3 8294 B11R0.174 CCCC(C)CNCC(O)CC 270004a_100011218483_100000243154 [0,2,0,0,0,0|1,0,0]=3 8295 B11R0.174 CCCC(C)CNC[C@@H](F)CO 270004a_100015665980_100000243154 [0,2,0,0,0,0|1,0,0]=3 8296 B11R0.174 CCCC(C)CNC[C@@H](F)CO 34a_100015665980_100011216630 [0,2,0,0,0,0|1,0,0]=3 8297 B11R0.174 CCCC(C)CNC[C@H](O)CO 2230a_100020644852_100011216630 [0,2,0,0,0,0|0,0,0]=2 8298 B11R0.174 CCCC(C)COCC(C)CC 34a_100000688023_100000748023 [0,2,0,0,0,0|2,0,0]=4 8299 B11R0.174 CCCC(C)COCC(C)CC 7a_100000688023_100000748023 [0,2,0,0,0,0|2,0,0]=4 8300 B11R0.174 CCCC(C)COCC(C)CN 34a_100000744482_100011216630 [0,2,0,0,0,0|2,0,0]=4 8301 B11R0.174 CCCC(C)COCC(Cl)CCl 34a_100000033668_100011216630 [0,2,0,0,0,0|2,0,0]=4 8302 B11R0.174 CCCC(C)COCC(O)CC 34a_100000688023_100011218378 [0,2,0,0,0,0|1,0,0]=3 8303 B11R0.174 CCCC(C)COCC(O)CC 7a_100000688023_100011218378 [0,2,0,0,0,0|1,0,0]=3 8304 B11R0.174 CCCC(C)COCC(O)CO 34a_100000688023_100011219619 [0,2,0,0,0,0|0,0,0]=2 8305 B11R0.174 CCCC(C)COCC(O)CO 7a_100000688023_100011219619 [0,2,0,0,0,0|0,0,0]=2 8306 B11R0.174 CCCC(C)COC[C@@H](C)CC 34a_100000688023_100009816398 [0,2,0,0,0,0|2,0,0]=4 8307 B11R0.174 CCCC(C)COC[C@@H](C)CC 7a_100000688023_100009816398 [0,2,0,0,0,0|2,0,0]=4 8308 B11R0.174 CCCC(C)COC[C@@H](C)CC 7a_100009816381_100011216630 [0,2,0,0,0,0|2,0,0]=4 8309 B11R0.174 CCCC(C)COC[C@@H](C)CO 34a_100000688023_100000059175 [0,2,0,0,0,0|1,0,0]=3 8310 B11R0.174 CCCC(C)COC[C@@H](C)CO 7a_100000688023_100000059175 [0,2,0,0,0,0|1,0,0]=3 8311 B11R0.174 CCCC(C)COC[C@@H](O)CF 34a_100000688023_100015614560 [0,2,0,0,0,0|1,0,0]=3 8312 B11R0.174 CCCC(C)COC[C@@H](O)CF 7a_100000688023_100015614560 [0,2,0,0,0,0|1,0,0]=3 8313 B11R0.174 CCCC(C)COC[C@@H](O)CO 34a_100000688023_100009815848 [0,2,0,0,0,0|0,0,0]=2 8314 B11R0.174 CCCC(C)COC[C@@H](O)CO 7a_100000688023_100009815848 [0,2,0,0,0,0|0,0,0]=2 8315 B11R0.174 CCCC(C)COC[C@H](F)CN 34a_100015665980_100011216630 [0,2,0,0,0,0|2,0,0]=4 8316 B11R0.174 CCCC(C)CSCC(C)CC 62a_100000748023_100011216630 [0,2,0,0,0,0|2,0,0]=4 8317 B11R0.174 CCCC(C)CSCC(C)CC 62a_100011216630_100000748023 [0,2,0,0,0,0|2,0,0]=4 8318 B11R0.174 CCCC(C)CSCC(O)CC 62a_100011216630_100011218378 [0,2,0,0,0,0|1,0,0]=3 8319 B11R0.174 CCCC(C)CSCC(O)CC 62a_100011218378_100011216630 [0,2,0,0,0,0|1,0,0]=3 8320 B11R0.174 CCCC(C)CSCC(O)CO 62a_100011216630_100011219619 [0,2,0,0,0,0|0,0,0]=2 8321 B11R0.174 CCCC(C)CSCC(O)CO 62a_100011219619_100011216630 [0,2,0,0,0,0|0,0,0]=2 8322 B11R0.174 CCCC(C)CSC[C@@H](C)CC 62a_100009816398_100011216630 [0,2,0,0,0,0|2,0,0]=4 8323 B11R0.174 CCCC(C)CSC[C@@H](C)CC 62a_100011216630_100009816398 [0,2,0,0,0,0|2,0,0]=4 8324 B11R0.174 CCCC(C)CSC[C@@H](C)CO 62a_100000059175_100011216630 [0,2,0,0,0,0|1,0,0]=3 8325 B11R0.174 CCCC(C)CSC[C@@H](C)CO 62a_100011216630_100000059175 [0,2,0,0,0,0|1,0,0]=3 8326 B11R0.174 CCCC(C)CSC[C@@H](O)CF 62a_100011216630_100015614560 [0,2,0,0,0,0|1,0,0]=3 8327 B11R0.174 CCCC(C)CSC[C@@H](O)CF 62a_100015614560_100011216630 [0,2,0,0,0,0|1,0,0]=3 8328 B11R0.174 CCCC(C)CSC[C@@H](O)CO 62a_100009815848_100011216630 [0,2,0,0,0,0|0,0,0]=2 8329 B11R0.174 CCCC(C)CSC[C@@H](O)CO 62a_100011216630_100009815848 [0,2,0,0,0,0|0,0,0]=2 8330 B11R0.174 CCCC(C)NCCC(C)CC 2230a_100020591266_100000766640 [0,2,0,0,0,0|2,0,0]=4 8331 B11R0.174 CCCC(C)NCCC(C)CC 270004a_100020591266_100000211909 [0,2,0,0,0,0|2,0,0]=4 8332 B11R0.174 CCCC(C)NCCC(C)CO 2230a_106354213184_100000766640 [0,2,0,0,0,0|1,0,0]=3 8333 B11R0.174 CCCC(C)NCCC(C)CO 270004a_106354213184_100000211909 [0,2,0,0,0,0|1,0,0]=3 8334 B11R0.174 CCCC(C)NCCC(C)CO 34a_106354213184_100000766640 [0,2,0,0,0,0|1,0,0]=3 8335 B11R0.174 CCCC(C)OCCC(C)CC 7a_100011215188_100000766640 [0,2,0,0,0,0|2,0,0]=4 8336 B11R0.174 CCC[C@H](N)CCOC(C)CC 34a_100015193777_100011215416 [0,2,0,0,0,0|2,0,0]=4 8337 B11R0.174 CCC[C@H](N)CCOC(C)CO 34a_100015193777_100012180447 [0,2,0,0,0,0|1,0,0]=3 8338 B11R0.174 CCC[C@H](N)COCC(C)CC 34a_100000732646_100000748023 [0,2,0,0,0,0|2,0,0]=4 8339 B11R0.174 CCC[C@H](N)COCC(O)CC 34a_100000732646_100011218378 [0,2,0,0,0,0|1,0,0]=3 8340 B11R0.174 CCC[C@H](N)COCC(O)CO 34a_100000732646_100011219619 [0,2,0,0,0,0|0,0,0]=2 8341 B11R0.174 CCC[C@H](N)COC[C@@H](C)CC 34a_100000732646_100009816398 [0,2,0,0,0,0|2,0,0]=4 8342 B11R0.174 CCC[C@H](N)COC[C@@H](C)CO 34a_100000732646_100000059175 [0,2,0,0,0,0|1,0,0]=3 8343 B11R0.174 CCC[C@H](N)COC[C@@H](O)CF 34a_100000732646_100015614560 [0,2,0,0,0,0|1,0,0]=3 8344 B11R0.174 CCC[C@H](N)COC[C@@H](O)CO 34a_100000732646_100009815848 [0,2,0,0,0,0|0,0,0]=2 8345 B11R0.174 CCNC(=O)CNCC(O)CO 2230a_100016988866_100011219619 [0,2,0,0,0,0|1,0,1]=4 8346 B11R0.174 CCNC(=O)CNC[C@@H](O)CO 2230a_100016988866_100009815848 [0,2,0,0,0,0|1,0,1]=4 8347 B11R0.174 CCNC(=O)CNC[C@H](O)CO 2230a_100020644852_100000183381 [0,2,0,0,0,0|1,0,1]=4 8348 B11R0.174 CCNC(=O)CSCC(O)CO 62a_100000183381_100011219619 [0,2,0,0,0,0|1,0,1]=4 8349 B11R0.174 CCNC(=O)CSCC(O)CO 62a_100011219619_100000183381 [0,2,0,0,0,0|1,0,1]=4 8350 B11R0.174 CCNC(=O)CSC[C@@H](O)CO 62a_100000183381_100009815848 [0,2,0,0,0,0|1,0,1]=4 8351 B11R0.174 CCNC(=O)CSC[C@@H](O)CO 62a_100009815848_100000183381 [0,2,0,0,0,0|1,0,1]=4 8352 B11R0.174 CCOC(=O)CNC[C@H](O)CO 2230a_100020644852_100000188475 [0,2,0,0,0,0|1,0,1]=4 8353 B11R0.174 CCOC(=O)CSCC(O)CO 62a_100000188475_100011219619 [0,2,0,0,0,0|1,0,1]=4 8354 B11R0.174 CCOC(=O)CSCC(O)CO 62a_100011219619_100000188475 [0,2,0,0,0,0|1,0,1]=4 8355 B11R0.174 CCOC(=O)CSC[C@@H](O)CO 62a_100000188475_100009815848 [0,2,0,0,0,0|1,0,1]=4 8356 B11R0.174 CCOC(=O)CSC[C@@H](O)CO 62a_100009815848_100000188475 [0,2,0,0,0,0|1,0,1]=4 8357 B11R0.174 CC[C@H](C)CNCC(O)COC 2230a_100000756049_100009816398 [0,2,0,0,0,0|1,0,0]=3 8358 B11R0.174 CC[C@H](C)CNCC(O)COC 34a_100000756049_100009816398 [0,2,0,0,0,0|1,0,0]=3 8359 B11R0.174 CC[C@H](C)COCC(N)COC 34a_100000724102_100009816398 [0,2,0,0,0,0|2,0,0]=4 8360 B11R0.174 CC[C@H](C)COCC(O)COC 7a_100009816381_100011215053 [0,2,0,0,0,0|1,0,0]=3 8361 B11R0.174 CC[C@H](C)COC[C@@H](O)CC#N 7a_100009816381_100000001066 [0,2,0,0,0,0|2,0,0]=4 8362 B11R0.174 CC[C@H](C)CSCC(O)COC 62a_100009816398_100011215053 [0,2,0,0,0,0|1,0,0]=3 8363 B11R0.174 CC[C@H](C)CSCC(O)COC 62a_100011215053_100009816398 [0,2,0,0,0,0|1,0,0]=3 8364 B11R0.174 CC[C@H](C)CSC[C@@H](O)CC#N 62a_100000001066_100009816398 [0,2,0,0,0,0|2,0,0]=4 8365 B11R0.174 CC[C@H](C)CSC[C@@H](O)CC#N 62a_100009816398_100000001066 [0,2,0,0,0,0|2,0,0]=4 8366 B11R0.174 COCC(C)NCCC(C)CO 2230a_106354213184_100000765312 [0,2,0,0,0,0|2,0,0]=4 8367 B11R0.174 COCC(C)NCCC(C)CO 270004a_106354213184_100000749346 [0,2,0,0,0,0|2,0,0]=4 8368 B11R0.174 COCC(C)NCCC(C)CO 34a_106354213184_100000765312 [0,2,0,0,0,0|2,0,0]=4 8369 B11R0.174 COCC(N)COCC(O)CO 34a_100000724102_100011219619 [0,2,0,0,0,0|1,0,0]=3 8370 B11R0.174 COCC(N)COC[C@@H](C)CO 34a_100000724102_100000059175 [0,2,0,0,0,0|2,0,0]=4 8371 B11R0.174 COCC(N)COC[C@@H](O)CF 34a_100000724102_100015614560 [0,2,0,0,0,0|2,0,0]=4 8372 B11R0.174 COCC(N)COC[C@@H](O)CO 34a_100000724102_100009815848 [0,2,0,0,0,0|1,0,0]=3 8373 B11R0.174 COCC(O)CNCC(C)CO 34a_100000744482_100011215053 [0,2,0,0,0,0|2,0,0]=4 8374 B11R0.174 COCC(O)CNCC(O)CO 2230a_100000756049_100011219619 [0,2,0,0,0,0|1,0,0]=3 8375 B11R0.174 COCC(O)CNCC(O)CO 34a_100000756049_100011219619 [0,2,0,0,0,0|1,0,0]=3 8376 B11R0.174 COCC(O)CNC[C@@H](C)CO 2230a_100000756049_100000059175 [0,2,0,0,0,0|2,0,0]=4 8377 B11R0.174 COCC(O)CNC[C@@H](C)CO 34a_100000756049_100000059175 [0,2,0,0,0,0|2,0,0]=4 8378 B11R0.174 COCC(O)CNC[C@@H](F)CO 34a_100015665980_100011215053 [0,2,0,0,0,0|2,0,0]=4 8379 B11R0.174 COCC(O)CNC[C@@H](O)CF 2230a_100000756049_100015614560 [0,2,0,0,0,0|2,0,0]=4 8380 B11R0.174 COCC(O)CNC[C@@H](O)CF 34a_100000756049_100015614560 [0,2,0,0,0,0|2,0,0]=4 8381 B11R0.174 COCC(O)CNC[C@@H](O)CO 2230a_100000756049_100009815848 [0,2,0,0,0,0|1,0,0]=3 8382 B11R0.174 COCC(O)CNC[C@@H](O)CO 34a_100000756049_100009815848 [0,2,0,0,0,0|1,0,0]=3 8383 B11R0.174 COCC(O)COCC(C)CN 34a_100000744482_100011215053 [0,2,0,0,0,0|2,0,0]=4 8384 B11R0.174 COCC(O)COCC(C)OC 34a_100000690652_100011215053 [0,2,0,0,0,0|2,0,0]=4 8385 B11R0.174 COCC(O)COCC(Cl)CCl 34a_100000033668_100011215053 [0,2,0,0,0,0|2,0,0]=4 8386 B11R0.174 COCC(O)COC[C@H](F)CN 34a_100015665980_100011215053 [0,2,0,0,0,0|2,0,0]=4 8387 B11R0.174 COCC(O)CSCC(O)CO 62a_100011215053_100011219619 [0,2,0,0,0,0|1,0,0]=3 8388 B11R0.174 COCC(O)CSCC(O)CO 62a_100011219619_100011215053 [0,2,0,0,0,0|1,0,0]=3 8389 B11R0.174 COCC(O)CSC[C@@H](C)CO 62a_100000059175_100011215053 [0,2,0,0,0,0|2,0,0]=4 8390 B11R0.174 COCC(O)CSC[C@@H](C)CO 62a_100011215053_100000059175 [0,2,0,0,0,0|2,0,0]=4 8391 B11R0.174 COCC(O)CSC[C@@H](O)CF 62a_100011215053_100015614560 [0,2,0,0,0,0|2,0,0]=4 8392 B11R0.174 COCC(O)CSC[C@@H](O)CF 62a_100015614560_100011215053 [0,2,0,0,0,0|2,0,0]=4 8393 B11R0.174 COCC(O)CSC[C@@H](O)CO 62a_100009815848_100011215053 [0,2,0,0,0,0|1,0,0]=3 8394 B11R0.174 COCC(O)CSC[C@@H](O)CO 62a_100011215053_100009815848 [0,2,0,0,0,0|1,0,0]=3 8395 B11R0.174 CSCC(C)NCCC(C)CO 270004a_106354213184_100011216314 [0,2,0,0,0,0|2,0,0]=4 8396 B11R0.174 N#CC[C@H](O)CNC[C@H](O)CO 2230a_100020644852_100000001066 [0,2,0,0,0,0|1,0,1]=4 8397 B11R0.174 N#CC[C@H](O)CSCC(O)CO 62a_100000001066_100011219619 [0,2,0,0,0,0|1,0,1]=4 8398 B11R0.174 N#CC[C@H](O)CSCC(O)CO 62a_100011219619_100000001066 [0,2,0,0,0,0|1,0,1]=4 8399 B11R0.174 N#CC[C@H](O)CSC[C@@H](O)CO 62a_100000001066_100009815848 [0,2,0,0,0,0|1,0,1]=4 8400 B11R0.174 N#CC[C@H](O)CSC[C@@H](O)CO 62a_100009815848_100000001066 [0,2,0,0,0,0|1,0,1]=4 8401 B11R0.176 C=C(C)CCNCC(O)COC 2230a_100000756049_100000730704 [0,2,0,0,0,0|1,0,1]=4 8402 B11R0.176 C=C(C)CCNCC(O)COC 34a_100000756049_100000730704 [0,2,0,0,0,0|1,0,1]=4 8403 B11R0.176 C=C(C)CCOCC(O)COC 34a_100000764851_100011215053 [0,2,0,0,0,0|1,0,1]=4 8404 B11R0.176 C=C(C)CCSCC(O)COC 62a_100000730704_100011215053 [0,2,0,0,0,0|1,0,1]=4 8405 B11R0.176 C=C(C)CCSCC(O)COC 62a_100011215053_100000730704 [0,2,0,0,0,0|1,0,1]=4 8406 B11R0.176 CC(C)CCCCC(=O)CCO 1458a_100011216618_100011216152 [0,2,0,0,0,0|0,0,2]=4 8407 B11R0.176 CC(C)CCCCC(=O)CCO 1458a_100011933920_100000211926 [0,2,0,0,0,0|0,0,2]=4 8408 B11R0.176 CC(C)CCCCN(C)CCO 2230a_100000210263_100011216152 [0,2,0,0,0,0|2,0,0]=4 8409 B11R0.176 CC(C)CCCCN(C)CCO 269982a_100000210263_100011216152 [0,2,0,0,0,0|2,0,0]=4 8410 B11R0.176 CC(C)CCCNC(C)CCO 2230a_200000737386_100009893172 [0,2,0,0,0,0|2,0,0]=4 8411 B11R0.176 CC(C)CCCNC(C)CCO 34a_200000737386_100009893172 [0,2,0,0,0,0|2,0,0]=4 8412 B11R0.176 CC(C)CCCN[C@H](C)CCO 2230a_100000706166_100011214892 [0,2,0,0,0,0|2,0,0]=4 8413 B11R0.176 CC(C)CCCN[C@H](C)CCO 34a_100000706166_100011214892 [0,2,0,0,0,0|2,0,0]=4 8414 B11R0.176 CC(C)CCCOC(C)CCO 34a_100000210774_100009893172 [0,2,0,0,0,0|2,0,0]=4 8415 B11R0.176 CC(C)CCCOC(C)CCO 7a_100000210774_100009893172 [0,2,0,0,0,0|2,0,0]=4 8416 B11R0.176 CC(C)CCCSC(C)CCO 62a_100009893172_100011214892 [0,2,0,0,0,0|2,0,0]=4 8417 B11R0.176 CC(C)CCCSC(C)CCO 62a_100011214892_100009893172 [0,2,0,0,0,0|2,0,0]=4 8418 B11R0.176 CC(C)CCOC[C@@H](O)CC#N 7a_100000210254_100000001066 [0,2,0,0,0,0|2,0,0]=4 8419 B11R0.176 CC(C)CCSC[C@@H](O)CC#N 62a_100000001066_100000210312 [0,2,0,0,0,0|2,0,0]=4 8420 B11R0.176 CC(C)CCSC[C@@H](O)CC#N 62a_100000210312_100000001066 [0,2,0,0,0,0|2,0,0]=4 8421 B11R0.176 CC(O)CCCN[C@H](C)CCO 2230a_100000706166_200000718107 [0,2,0,0,0,0|2,0,0]=4 8422 B11R0.176 CC(O)CCCN[C@H](C)CCO 34a_100000706166_200000718107 [0,2,0,0,0,0|2,0,0]=4 8423 B11R0.176 CC(O)CCCSC(C)CCO 62a_100009893172_200000718107 [0,2,0,0,0,0|2,0,0]=4 8424 B11R0.176 CC(O)CCCSC(C)CCO 62a_200000718107_100009893172 [0,2,0,0,0,0|2,0,0]=4 8425 B11R0.176 CC(O)CCNC[C@@H](O)CC#N 2230a_200000755665_100000001066 [0,2,0,0,0,0|2,0,0]=4 8426 B11R0.176 CC(O)CCSC[C@@H](O)CC#N 62a_100000001066_100012276601 [0,2,0,0,0,0|2,0,0]=4 8427 B11R0.176 CC(O)CCSC[C@@H](O)CC#N 62a_100012276601_100000001066 [0,2,0,0,0,0|2,0,0]=4 8428 B11R0.176 COCC(=O)CCCCC(C)C 1458a_100000210968_100011216152 [0,2,0,0,0,0|0,0,2]=4 8429 B11R0.176 COCC(C)NCCCC(C)C 2230a_200000737386_100000765312 [0,2,0,0,0,0|2,0,0]=4 8430 B11R0.176 COCC(C)NCCCC(C)C 270004a_200000737386_100000749346 [0,2,0,0,0,0|2,0,0]=4 8431 B11R0.176 COCC(C)NCCCC(C)C 34a_200000737386_100000765312 [0,2,0,0,0,0|2,0,0]=4 8432 B11R0.176 COCC(C)OCCCC(C)C 34a_100000210774_100000765312 [0,2,0,0,0,0|2,0,0]=4 8433 B11R0.176 COCC(C)OCCCC(C)C 7a_100000210774_100000765312 [0,2,0,0,0,0|2,0,0]=4 8434 B11R0.176 COCC(C)SCCCC(C)C 62a_100000765312_100011214892 [0,2,0,0,0,0|2,0,0]=4 8435 B11R0.176 COCC(C)SCCCC(C)C 62a_100011214892_100000765312 [0,2,0,0,0,0|2,0,0]=4 8436 B11R0.176 COCC(C)SCCCC(C)O 62a_100000765312_200000718107 [0,2,0,0,0,0|2,0,0]=4 8437 B11R0.176 COCC(C)SCCCC(C)O 62a_200000718107_100000765312 [0,2,0,0,0,0|2,0,0]=4 8438 B11R0.176 COCC(N)COCCC(C)C 34a_100000724102_100000210312 [0,2,0,0,0,0|2,0,0]=4 8439 B11R0.176 COCC(N)COCCC(C)O 34a_100000724102_100012276601 [0,2,0,0,0,0|2,0,0]=4 8440 B11R0.176 COCC(O)CNCCC(C)C 2230a_100000756049_100000210312 [0,2,0,0,0,0|1,0,0]=3 8441 B11R0.176 COCC(O)CNCCC(C)C 269862a_100000756049_100000185833 [0,2,0,0,0,0|1,0,0]=3 8442 B11R0.176 COCC(O)CNCCC(C)C 34a_100000756049_100000210312 [0,2,0,0,0,0|1,0,0]=3 8443 B11R0.176 COCC(O)CNCCC(C)O 2230a_100000756049_100012276601 [0,2,0,0,0,0|1,0,0]=3 8444 B11R0.176 COCC(O)CNCCC(C)O 34a_100000756049_100012276601 [0,2,0,0,0,0|1,0,0]=3 8445 B11R0.176 COCC(O)CNCOC(C)C 2230a_100000756049_100000709892 [0,2,0,0,0,0|2,0,0]=4 8446 B11R0.176 COCC(O)CNCOC(C)C 34a_100000756049_100000709892 [0,2,0,0,0,0|2,0,0]=4 8447 B11R0.176 COCC(O)COCCC(=O)C 34a_100000759926_100011215053 [0,2,0,0,0,0|1,0,1]=4 8448 B11R0.176 COCC(O)COCCC(=O)C 7a_100000759926_100011215053 [0,2,0,0,0,0|1,0,1]=4 8449 B11R0.176 COCC(O)COCCC(C)Br 34a_100009893172_100011215053 [0,2,0,0,0,0|1,0,0]=3 8450 B11R0.176 COCC(O)COCCC(C)C 34a_100000210254_100011215053 [0,2,0,0,0,0|1,0,0]=3 8451 B11R0.176 COCC(O)COCCC(C)C 7a_100000210254_100011215053 [0,2,0,0,0,0|1,0,0]=3 8452 B11R0.176 COCC(O)COCCC(F)F 34a_100103093639_100011215053 [0,2,0,0,0,0|2,0,0]=4 8453 B11R0.176 COCC(O)COCC[C@@H](C)N 34a_100000706166_100011215053 [0,2,0,0,0,0|1,0,0]=3 8454 B11R0.176 COCC(O)CSCCC(=O)C 62a_100000053229_100011215053 [0,2,0,0,0,0|1,0,1]=4 8455 B11R0.176 COCC(O)CSCCC(=O)C 62a_100011215053_100000053229 [0,2,0,0,0,0|1,0,1]=4 8456 B11R0.176 COCC(O)CSCCC(C)C 62a_100000210312_100011215053 [0,2,0,0,0,0|1,0,0]=3 8457 B11R0.176 COCC(O)CSCCC(C)C 62a_100011215053_100000210312 [0,2,0,0,0,0|1,0,0]=3 8458 B11R0.176 COCC(O)CSCCC(C)O 62a_100011215053_100012276601 [0,2,0,0,0,0|1,0,0]=3 8459 B11R0.176 COCC(O)CSCCC(C)O 62a_100012276601_100011215053 [0,2,0,0,0,0|1,0,0]=3 8460 B11R0.176 COCC(O)CSCCN(C)C 62a_100011215053_100000755713 [0,2,0,0,0,0|2,0,0]=4 8461 B11R0.176 COCC(O)CSCOC(C)C 62a_100000709892_100011215053 [0,2,0,0,0,0|2,0,0]=4 8462 B11R0.176 COCC(O)CSCOC(C)C 62a_100011215053_100000709892 [0,2,0,0,0,0|2,0,0]=4 8463 B11R0.176 COC[C@@H](C)NCCCC(C)C 2230a_100000764878_100011214892 [0,2,0,0,0,0|2,0,0]=4 8464 B11R0.176 COC[C@@H](C)NCCCC(C)O 2230a_100000764878_200000718107 [0,2,0,0,0,0|2,0,0]=4 8465 B11R0.176 COC[C@@H](C)OCCCC(C)C 34a_100011934205_100011214892 [0,2,0,0,0,0|2,0,0]=4 8466 B11R0.176 COC[C@@H](C)OCCCC(C)O 34a_100011934205_200000718107 [0,2,0,0,0,0|2,0,0]=4 8467 B11R0.304 CCCCCCC(C)(C)OCC 7a_200011995690_100000210202 [0,2,0,0,0,0|2,0,0]=4 8468 B11R0.304 CCCCCCC(C)(C)OCF 7a_200011995690_100015361967 [0,2,0,0,0,0|2,0,0]=4 8469 B11R0.304 CCCCCNC(C)(C)COC 2230a_100000752728_100000210326 [0,2,0,0,0,0|2,0,0]=4 8470 B11R0.304 CCCCNCC(C)(C)COC 2230a_100000734190_100000210211 [0,2,0,0,0,0|2,0,0]=4 8471 B11R0.43 CC(CCO)N(C)CC(O)CO 2230a_100000731037_100011219619 [0,2,0,0,0,0|2,0,0]=4 8472 B11R0.43 CC(CCO)N(C)CC(O)CO 2230a_100011216503_100009893172 [0,2,0,0,0,0|2,0,0]=4 8473 B11R0.43 CC(CCO)N(C)CC(O)CO 269982a_100011216503_100009893172 [0,2,0,0,0,0|2,0,0]=4 8474 B11R0.43 CC(CCO)N(C)C[C@@H](O)CO 2230a_100000731037_100009815848 [0,2,0,0,0,0|2,0,0]=4 8475 B11R0.43 CCCC(=O)N(C)CC(O)CO 240690a_100011216503_100000211992 [0,2,0,0,0,0|1,0,1]=4 8476 B11R0.43 CCCC(=O)N(C)CC(O)CO 527a_100011216503_100000211992 [0,2,0,0,0,0|1,0,1]=4 8477 B11R0.43 CCCC(C)C(=O)CC(O)CC 1458a_100000210906_100011218378 [0,2,0,0,0,0|1,0,1]=4 8478 B11R0.43 CCCC(C)C(=O)CC(O)CC 1458a_100011667805_100000766640 [0,2,0,0,0,0|1,0,1]=4 8479 B11R0.43 CCCC(C)C(=O)C[C@@H](C)CO 1458a_100000210906_100000059175 [0,2,0,0,0,0|1,0,1]=4 8480 B11R0.43 CCCC(C)C(C)N[C@H](C)CO 270004a_100000737577_100011216282 [0,2,0,0,0,0|2,0,0]=4 8481 B11R0.43 CCCC(C)C(C)OC(C)CO 34a_100000708338_100012180447 [0,2,0,0,0,0|2,0,0]=4 8482 B11R0.43 CCCC(C)C(C)OC(C)CO 7a_100000708338_100012180447 [0,2,0,0,0,0|2,0,0]=4 8483 B11R0.43 CCCC(C)N(C)CC(O)CO 2230a_100011216503_100000766640 [0,2,0,0,0,0|1,0,0]=3 8484 B11R0.43 CCCC(C)N(C)CC(O)CO 269982a_100011216503_100000766640 [0,2,0,0,0,0|1,0,0]=3 8485 B11R0.43 CCCC(C)N(C)CC(O)CO 270004a_100011216503_100000211909 [0,2,0,0,0,0|1,0,0]=3 8486 B11R0.43 CCC[C@H](O)C(=O)CC(O)CC 1458a_100009822183_100011218378 [0,2,0,0,0,0|1,0,1]=4 8487 B11R0.43 CCC[C@H](O)C(=O)C[C@@H](C)CO 1458a_100009822183_100000059175 [0,2,0,0,0,0|1,0,1]=4 8488 B11R0.43 COCC(C)N(C)CC(O)CO 2230a_100011216503_100000765312 [0,2,0,0,0,0|2,0,0]=4 8489 B11R0.43 COCC(C)N(C)CC(O)CO 269982a_100011216503_100000765312 [0,2,0,0,0,0|2,0,0]=4 8490 B11R0.43 COCC(C)N(C)CC(O)CO 270004a_100011216503_100000749346 [0,2,0,0,0,0|2,0,0]=4 8491 B11R0.43 CSCC(C)N(C)CC(O)CO 270004a_100011216503_100011216314 [0,2,0,0,0,0|2,0,0]=4 8492 B11R0.72 C=C[C@@H](CO)NC(C)CCCC 2230a_100016989147_200011215066 [0,2,0,0,0,0|2,0,0]=4 8493 B11R0.72 C=C[C@@H](CO)NC(C)CCCC 270004a_100016989147_100000210087 [0,2,0,0,0,0|2,0,0]=4 8494 B11R0.72 C=C[C@@H](CO)NC(C)CCCC 34a_100016989147_200011215066 [0,2,0,0,0,0|2,0,0]=4 8495 B11R0.72 CCCCC(=O)NC(CO)CO 240690a_100000759517_100000210183 [0,2,0,0,0,0|1,0,1]=4 8496 B11R0.72 CCCCC(=O)NC(CO)CO 527a_100000759517_100000210183 [0,2,0,0,0,0|1,0,1]=4 8497 B11R0.72 CCCCC(C)NC(CO)CO 2230a_100000759517_200011215066 [0,2,0,0,0,0|1,0,0]=3 8498 B11R0.72 CCCCC(C)N[C@@H](CC)CO 2230a_100000709445_200011215066 [0,2,0,0,0,0|2,0,0]=4 8499 B11R0.72 CCCCC(C)N[C@@H](CC)CO 270004a_100000709445_100000210087 [0,2,0,0,0,0|2,0,0]=4 8500 B11R0.73 CCCCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210211 [0,2,0,0,0,0|0,0,1]=3 8501 B11R0.73 CCCCC(C)C(=O)C(O)CC 1458a_100011196387_200011215066 [0,2,0,0,0,0|1,0,1]=4 8502 B11R0.73 CCCCC(C)C(=O)C(O)CO 1458a_100011215603_200011215066 [0,2,0,0,0,0|0,0,1]=3 8503 B11R0.73 CCCCC(C)N(C)C(C)CO 2230a_100000693034_200011215066 [0,2,0,0,0,0|2,0,0]=4 8504 B11R0.73 CCCCC(C)N(C)C(C)CO 269982a_100000693034_200011215066 [0,2,0,0,0,0|2,0,0]=4 8505 B11R0.73 CCCCC(C)N(C)C(C)CO 270004a_100000693034_100000210087 [0,2,0,0,0,0|2,0,0]=4 8506 B11R0.73 CCCCN(C)C(=O)C(O)CO 240690a_100000207549_100011215603 [0,2,0,0,0,0|1,0,1]=4 8507 B11R0.73 CCCNC(=O)[C@H](O)[C@H](O)CO 240690a_100020643023_100015448053 [0,2,0,0,0,0|1,0,1]=4 8508 B11R0.73 COCCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000233755 [0,2,0,0,0,0|1,0,1]=4 8509 B11R0.73 CSCCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000751147 [0,2,0,0,0,0|1,0,1]=4 8510 B11R0.73 O=C(CCCF)[C@H](O)[C@H](O)CO 1458a_100015448053_100011934791 [0,2,0,0,0,0|1,0,1]=4 8511 B11R0.73 O=C(CCCO)[C@H](O)[C@H](O)CO 1458a_100015448053_100011215043 [0,2,0,0,0,0|1,0,1]=4 8512 B11R0.83 CCCCC(=O)CC(C)(O)CC 1458a_200011219800_100000210211 [0,2,0,0,0,0|1,0,1]=4 8513 B11R0.83 CCCCC(C)NC(C)(C)CO 2230a_100000210608_200011215066 [0,2,0,0,0,0|2,0,0]=4 8514 B11R0.83 CCCCC(C)NC(C)(C)CO 270004a_100000210608_100000210087 [0,2,0,0,0,0|2,0,0]=4 8515 B11R0.83 CCCCC(C)SC(F)(F)CO 62a_100011217949_200011215066 [0,2,0,0,0,0|2,0,0]=4 8516 B11R0.83 CCCCC(C)SC(F)(F)CO 62a_200011215066_100011217949 [0,2,0,0,0,0|2,0,0]=4 8517 B11R0.83 CCCCN(C)CC(C)(C)CO 2230a_100000732702_100000210211 [0,2,0,0,0,0|2,0,0]=4 8518 B11R0.83 CCCCN(C)CC(C)(C)CO 269982a_100000732702_100000210211 [0,2,0,0,0,0|2,0,0]=4 8519 B11R0.93 C=C(C)CCN(C)CC(O)CO 2230a_100011216503_100000730704 [0,2,0,0,0,0|1,0,1]=4 8520 B11R0.93 C=C(C)CCN(C)CC(O)CO 269982a_100011216503_100000730704 [0,2,0,0,0,0|1,0,1]=4 8521 B11R0.93 CC(=O)CCN(C)CC(O)CO 269982a_100011216503_100000053229 [0,2,0,0,0,0|1,0,1]=4 8522 B11R0.93 CC(C)CCC(=O)C[C@@H](C)CO 1458a_100000181311_100000059175 [0,2,0,0,0,0|1,0,1]=4 8523 B11R0.93 CC(C)CCC(C)NC(C)CO 2230a_100138410893_100012180447 [0,2,0,0,0,0|2,0,0]=4 8524 B11R0.93 CC(C)CCC(C)N[C@H](C)CO 2230a_100000737577_100011261404 [0,2,0,0,0,0|2,0,0]=4 8525 B11R0.93 CC(C)CCC(C)N[C@H](C)CO 270004a_100000737577_100000210476 [0,2,0,0,0,0|2,0,0]=4 8526 B11R0.93 CC(C)CCC(C)OC(C)CO 34a_100011215350_100012180447 [0,2,0,0,0,0|2,0,0]=4 8527 B11R0.93 CC(C)CCC(C)OC(C)CO 7a_100011215350_100012180447 [0,2,0,0,0,0|2,0,0]=4 8528 B11R0.93 CC(C)CCC(C)SC(C)CO 62a_100012180447_100011261404 [0,2,0,0,0,0|2,0,0]=4 8529 B11R0.93 CC(C)CCC(C)S[C@H](C)CO 62a_100011261404_100016084084 [0,2,0,0,0,0|2,0,0]=4 8530 B11R0.93 CC(C)CCC(C)S[C@H](C)CO 62a_100016084084_100011261404 [0,2,0,0,0,0|2,0,0]=4 8531 B11R0.93 CC(C)CCN(C)CC(O)CO 2230a_100000742789_100011219619 [0,2,0,0,0,0|1,0,0]=3 8532 B11R0.93 CC(C)CCN(C)CC(O)CO 2230a_100011216503_100000210312 [0,2,0,0,0,0|1,0,0]=3 8533 B11R0.93 CC(C)CCN(C)CC(O)CO 269982a_100011216503_100000210312 [0,2,0,0,0,0|1,0,0]=3 8534 B11R0.93 CC(C)CCN(C)C[C@@H](C)CO 2230a_100000742789_100000059175 [0,2,0,0,0,0|2,0,0]=4 8535 B11R0.93 CC(C)CCN(C)C[C@@H](C)CO 269982a_100000742789_100000059175 [0,2,0,0,0,0|2,0,0]=4 8536 B11R0.93 CC(C)CCN(C)C[C@@H](O)CF 2230a_100000742789_100015614560 [0,2,0,0,0,0|2,0,0]=4 8537 B11R0.93 CC(C)CCN(C)C[C@@H](O)CO 2230a_100000742789_100009815848 [0,2,0,0,0,0|1,0,0]=3 8538 B11R0.93 CC(C)OCN(C)CC(O)CO 2230a_100011216503_100000709892 [0,2,0,0,0,0|2,0,0]=4 8539 B11R0.93 CC(C)OCN(C)CC(O)CO 269982a_100011216503_100000709892 [0,2,0,0,0,0|2,0,0]=4 8540 B11R0.93 CC(O)CCN(C)CC(O)CO 2230a_100011216503_100012276601 [0,2,0,0,0,0|1,0,0]=3 8541 B11R0.93 CC(O)CCN(C)CC(O)CO 269982a_100011216503_100012276601 [0,2,0,0,0,0|1,0,0]=3 8542 B11R0.93 CCC(O)CC(=O)CCC(C)C 1458a_100000181311_100011218378 [0,2,0,0,0,0|1,0,1]=4 8543 B11R0.93 CCC(O)CC(=O)CCC(C)C 1458a_100011667805_100000210312 [0,2,0,0,0,0|1,0,1]=4 8544 B11R0.93 CCC(O)CC(=O)CCC(C)O 1458a_100011667805_100012276601 [0,2,0,0,0,0|1,0,1]=4 8545 B11R0.93 CCC(O)CN(C)CCC(C)C 2230a_100000742789_100011218378 [0,2,0,0,0,0|2,0,0]=4 8546 B11R0.93 CCC(O)CN(C)CCC(C)C 269982a_100000742789_100011218378 [0,2,0,0,0,0|2,0,0]=4 8547 B11R0.93 CN(C)CCN(C)CC(O)CO 269982a_100011216503_100000755713 [0,2,0,0,0,0|2,0,0]=4 8548 B11R0.110 CCC(=O)CN(C)CC(O)CO 269982a_100011216503_100000747405 [0,2,0,0,0,0|1,0,1]=4 8549 B11R0.110 CCC(C)CC(=O)CC(O)CC 1458a_100000708755_100011218378 [0,2,0,0,0,0|1,0,1]=4 8550 B11R0.110 CCC(C)CC(=O)CC(O)CC 1458a_100011667805_100000748023 [0,2,0,0,0,0|1,0,1]=4 8551 B11R0.110 CCC(C)CC(=O)C[C@@H](C)CO 1458a_100000708755_100000059175 [0,2,0,0,0,0|1,0,1]=4 8552 B11R0.110 CCC(C)CC(C)NC(C)CO 2230a_100000763565_100012180447 [0,2,0,0,0,0|2,0,0]=4 8553 B11R0.110 CCC(C)CC(C)N[C@H](C)CO 270004a_100000737577_100011710205 [0,2,0,0,0,0|2,0,0]=4 8554 B11R0.110 CCC(C)CN(C)CC(O)CC 2230a_100000753921_100011218378 [0,2,0,0,0,0|2,0,0]=4 8555 B11R0.110 CCC(C)CN(C)CC(O)CC 269982a_100000753921_100011218378 [0,2,0,0,0,0|2,0,0]=4 8556 B11R0.110 CCC(C)CN(C)CC(O)CO 2230a_100000753921_100011219619 [0,2,0,0,0,0|1,0,0]=3 8557 B11R0.110 CCC(C)CN(C)CC(O)CO 2230a_100011216503_100000748023 [0,2,0,0,0,0|1,0,0]=3 8558 B11R0.110 CCC(C)CN(C)CC(O)CO 269982a_100011216503_100000748023 [0,2,0,0,0,0|1,0,0]=3 8559 B11R0.110 CCC(C)CN(C)CC(O)CO 270004a_100011216503_100000243153 [0,2,0,0,0,0|1,0,0]=3 8560 B11R0.110 CCC(C)CN(C)C[C@@H](C)CO 2230a_100000753921_100000059175 [0,2,0,0,0,0|2,0,0]=4 8561 B11R0.110 CCC(C)CN(C)C[C@@H](C)CO 269982a_100000753921_100000059175 [0,2,0,0,0,0|2,0,0]=4 8562 B11R0.110 CCC(C)CN(C)C[C@@H](O)CF 2230a_100000753921_100015614560 [0,2,0,0,0,0|2,0,0]=4 8563 B11R0.110 CCC(C)CN(C)C[C@@H](O)CO 2230a_100000753921_100009815848 [0,2,0,0,0,0|1,0,0]=3 8564 B11R0.110 CCC(O)CC(=O)CC(O)CC 1458a_100011667805_100011218378 [0,2,0,0,0,0|1,0,1]=4 8565 B11R0.110 CCC(O)CC(=O)C[C@@H](C)CC 1458a_100011667805_100009816398 [0,2,0,0,0,0|1,0,1]=4 8566 B11R0.110 CCC(O)CC(=O)C[C@@H](C)CO 1458a_100011667805_100000059175 [0,2,0,0,0,0|1,0,1]=4 8567 B11R0.110 CCC(O)CN(C)CC(O)CO 2230a_100011216503_100011218378 [0,2,0,0,0,0|1,0,0]=3 8568 B11R0.110 CCC(O)CN(C)CC(O)CO 269982a_100011216503_100011218378 [0,2,0,0,0,0|1,0,0]=3 8569 B11R0.110 CC[C@H](C)CN(C)CC(O)CO 2230a_100011216503_100009816398 [0,2,0,0,0,0|1,0,0]=3 8570 B11R0.110 CC[C@H](C)CN(C)CC(O)CO 269982a_100011216503_100009816398 [0,2,0,0,0,0|1,0,0]=3 8571 B11R0.110 CN(CC(O)CO)CC(O)CO 2230a_100011216503_100011219619 [0,2,0,0,0,0|2,0,0]=4 8572 B11R0.110 CN(CC(O)CO)C[C@@H](O)CF 2230a_100011216503_100015614560 [0,2,0,0,0,0|2,0,0]=4 8573 B11R0.110 CN(CC(O)CO)C[C@@H](O)CO 2230a_100011216503_100009815848 [0,2,0,0,0,0|2,0,0]=4 8574 B11R0.110 C[C@@H](CO)CN(C)CC(O)CO 2230a_100011216503_100000059175 [0,2,0,0,0,0|2,0,0]=4 8575 B11R0.110 C[C@@H](CO)CN(C)CC(O)CO 269982a_100011216503_100000059175 [0,2,0,0,0,0|2,0,0]=4 8576 B11R0.154 C#CCCCN(C)CC(O)CO 2230a_100011216503_100000731252 [0,2,0,0,0,0|0,0,2]=4 8577 B11R0.154 C#CCCCN(C)CC(O)CO 269982a_100011216503_100011215417 [0,2,0,0,0,0|0,0,2]=4 8578 B11R0.154 C=CC(O)CN(C)CCCCC 2230a_100000223495_100000730141 [0,2,0,0,0,0|1,0,1]=4 8579 B11R0.154 C=CCCCN(C)CC(O)CO 2230a_100011216503_100011713584 [0,2,0,0,0,0|0,0,2]=4 8580 B11R0.154 C=CCCCN(C)CC(O)CO 269982a_100011216503_100000757094 [0,2,0,0,0,0|0,0,2]=4 8581 B11R0.154 CC/C=C\CN(C)CC(O)CO 2230a_100011216503_100103147603 [0,2,0,0,0,0|0,0,2]=4 8582 B11R0.154 CC/C=C\CN(C)CC(O)CO 269982a_100011216503_100103147603 [0,2,0,0,0,0|0,0,2]=4 8583 B11R0.154 CCC#CCN(C)CC(O)CO 2230a_100011216503_100009813939 [0,2,0,0,0,0|0,0,2]=4 8584 B11R0.154 CCC(O)CC(=O)CCCCF 1458a_100011667805_100000729493 [0,2,0,0,0,0|1,0,1]=4 8585 B11R0.154 CCC(O)CC(=O)CCCCO 1458a_100000695505_100011218378 [0,2,0,0,0,0|1,0,1]=4 8586 B11R0.154 CCC(O)CC(=O)CCCCO 1458a_100011667805_100000210776 [0,2,0,0,0,0|1,0,1]=4 8587 B11R0.154 CCC(O)CC(=O)CCCOC 1458a_100000741012_100011218378 [0,2,0,0,0,0|1,0,1]=4 8588 B11R0.154 CCC(O)CC(=O)CCCOC 1458a_100011667805_100000740836 [0,2,0,0,0,0|1,0,1]=4 8589 B11R0.154 CCC(O)CC(=O)CCCSC 1458a_100000173376_100011218378 [0,2,0,0,0,0|1,0,1]=4 8590 B11R0.154 CCC(O)CN(C)CCCCO 2230a_100000717598_100011218378 [0,2,0,0,0,0|2,0,0]=4 8591 B11R0.154 CCC(O)CN(C)CCCCO 269982a_100000717598_100011218378 [0,2,0,0,0,0|2,0,0]=4 8592 B11R0.154 CCC(O)CN(C)CCCOC 2230a_100000224831_100011218378 [0,2,0,0,0,0|2,0,0]=4 8593 B11R0.154 CCC(O)CN(C)CCCOC 269982a_100000224831_100011218378 [0,2,0,0,0,0|2,0,0]=4 8594 B11R0.154 CCCCCC(=O)CC(=O)CO 1458a_100000210174_200012276598 [0,2,0,0,0,0|0,0,2]=4 8595 B11R0.154 CCCCCC(=O)CC(C)CC 1458a_100000212188_100000748023 [0,2,0,0,0,0|2,0,0]=4 8596 B11R0.154 CCCCCC(=O)CC(C)CC 1458a_100000708755_100000210326 [0,2,0,0,0,0|2,0,0]=4 8597 B11R0.154 CCCCCC(=O)CC(O)CC 1458a_100000212188_100011218378 [0,2,0,0,0,0|1,0,0]=3 8598 B11R0.154 CCCCCC(=O)CC(O)CC 1458a_100011667805_100000210326 [0,2,0,0,0,0|1,0,0]=3 8599 B11R0.154 CCCCCC(=O)C[C@@H](C)CC 1458a_100000212188_100009816398 [0,2,0,0,0,0|2,0,0]=4 8600 B11R0.154 CCCCCC(=O)C[C@@H](C)CO 1458a_100000212188_100000059175 [0,2,0,0,0,0|1,0,0]=3 8601 B11R0.154 CCCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000212188 [0,2,0,0,0,0|1,0,1]=4 8602 B11R0.154 CCCCCC(=O)N[C@H](C)CO 527a_100000737577_100000212188 [0,2,0,0,0,0|1,0,1]=4 8603 B11R0.154 CCCCCC(C)NC(=O)CO 240690a_100000211957_100000210174 [0,2,0,0,0,0|0,0,2]=4 8604 B11R0.154 CCCCCC(C)NC(=O)CO 527a_100000211957_100000210174 [0,2,0,0,0,0|0,0,2]=4 8605 B11R0.154 CCCCCC(C)NC(C)CC 2230a_100000209981_200011218191 [0,2,0,0,0,0|2,0,0]=4 8606 B11R0.154 CCCCCC(C)NC(C)CC 2230a_100000211957_100000758301 [0,2,0,0,0,0|2,0,0]=4 8607 B11R0.154 CCCCCC(C)NC(C)CC 270004a_100000209981_100000211708 [0,2,0,0,0,0|2,0,0]=4 8608 B11R0.154 CCCCCC(C)NC(C)CO 2230a_100000211957_100012180447 [0,2,0,0,0,0|1,0,0]=3 8609 B11R0.154 CCCCCC(C)N[C@H](C)CF 270004a_100102880703_100000211708 [0,2,0,0,0,0|2,0,0]=4 8610 B11R0.154 CCCCCC(C)N[C@H](C)CO 2230a_100000737577_200011218191 [0,2,0,0,0,0|1,0,0]=3 8611 B11R0.154 CCCCCC(C)N[C@H](C)CO 270004a_100000737577_100000211708 [0,2,0,0,0,0|1,0,0]=3 8612 B11R0.154 CCCCCC(C)OC(C)CC 34a_100011215632_100011215416 [0,2,0,0,0,0|2,0,0]=4 8613 B11R0.154 CCCCCC(C)OC(C)CC 7a_100000210228_200011218191 [0,2,0,0,0,0|2,0,0]=4 8614 B11R0.154 CCCCCC(C)OC(C)CC 7a_100011215632_100000758301 [0,2,0,0,0,0|2,0,0]=4 8615 B11R0.154 CCCCCC(C)OC(C)CF 34a_100016041109_200011218191 [0,2,0,0,0,0|2,0,0]=4 8616 B11R0.154 CCCCCC(C)OC(C)CF 7a_100016041109_200011218191 [0,2,0,0,0,0|2,0,0]=4 8617 B11R0.154 CCCCCC(C)OC(C)CN 34a_100000210904_200011218191 [0,2,0,0,0,0|2,0,0]=4 8618 B11R0.154 CCCCCC(C)OC(C)CO 34a_100011215632_100012180447 [0,2,0,0,0,0|1,0,0]=3 8619 B11R0.154 CCCCCC(C)OC(C)CO 7a_100011215632_100012180447 [0,2,0,0,0,0|1,0,0]=3 8620 B11R0.154 CCCCCC(C)SC(C)CC 62a_100000758301_200011218191 [0,2,0,0,0,0|2,0,0]=4 8621 B11R0.154 CCCCCC(C)SC(C)CC 62a_200011218191_100000758301 [0,2,0,0,0,0|2,0,0]=4 8622 B11R0.154 CCCCCC(C)SC(C)CO 62a_100012180447_200011218191 [0,2,0,0,0,0|1,0,0]=3 8623 B11R0.154 CCCCCC(C)S[C@H](C)CO 62a_100016084084_200011218191 [0,2,0,0,0,0|1,0,0]=3 8624 B11R0.154 CCCCCC(C)S[C@H](C)CO 62a_200011218191_100016084084 [0,2,0,0,0,0|1,0,0]=3 8625 B11R0.154 CCCCCN(C)CC(C)CC 2230a_100000223495_100000748023 [0,2,0,0,0,0|2,0,0]=4 8626 B11R0.154 CCCCCN(C)CC(C)CC 2230a_100000753921_100000210326 [0,2,0,0,0,0|2,0,0]=4 8627 B11R0.154 CCCCCN(C)CC(C)CC 269982a_100000223495_100000748023 [0,2,0,0,0,0|2,0,0]=4 8628 B11R0.154 CCCCCN(C)CC(C)CC 269982a_100000753921_100000210215 [0,2,0,0,0,0|2,0,0]=4 8629 B11R0.154 CCCCCN(C)CC(C)CC 270004a_100000223495_100000243153 [0,2,0,0,0,0|2,0,0]=4 8630 B11R0.154 CCCCCN(C)CC(O)CC 2230a_100000223495_100011218378 [0,2,0,0,0,0|1,0,0]=3 8631 B11R0.154 CCCCCN(C)CC(O)CC 269982a_100000223495_100011218378 [0,2,0,0,0,0|1,0,0]=3 8632 B11R0.154 CCCCCN(C)CC(O)CO 2230a_100000223495_100011219619 [0,2,0,0,0,0|0,0,0]=2 8633 B11R0.154 CCCCCN(C)CC(O)CO 2230a_100011216503_100000210326 [0,2,0,0,0,0|0,0,0]=2 8634 B11R0.154 CCCCCN(C)CC(O)CO 269982a_100011216503_100000210215 [0,2,0,0,0,0|0,0,0]=2 8635 B11R0.154 CCCCCN(C)C[C@@H](C)CC 2230a_100000223495_100009816398 [0,2,0,0,0,0|2,0,0]=4 8636 B11R0.154 CCCCCN(C)C[C@@H](C)CC 269982a_100000223495_100009816398 [0,2,0,0,0,0|2,0,0]=4 8637 B11R0.154 CCCCCN(C)C[C@@H](C)CO 2230a_100000223495_100000059175 [0,2,0,0,0,0|1,0,0]=3 8638 B11R0.154 CCCCCN(C)C[C@@H](C)CO 269982a_100000223495_100000059175 [0,2,0,0,0,0|1,0,0]=3 8639 B11R0.154 CCCCCN(C)C[C@@H](O)CF 2230a_100000223495_100015614560 [0,2,0,0,0,0|1,0,0]=3 8640 B11R0.154 CCCCCN(C)C[C@@H](O)CO 2230a_100000223495_100009815848 [0,2,0,0,0,0|0,0,0]=2 8641 B11R0.154 CCCCNC(=O)CC(O)CC 1626a_100000102301_100011667805 [0,2,0,0,0,0|1,0,1]=4 8642 B11R0.154 CCCCNC(=O)CC(O)CC 240690a_100000102301_100011667805 [0,2,0,0,0,0|1,0,1]=4 8643 B11R0.154 CCCCNC(C)CC(C)CC 2230a_100000763565_100000210211 [0,2,0,0,0,0|2,0,0]=4 8644 B11R0.154 CCCCNC(C)CC(C)CC 270004a_100000102301_100011710205 [0,2,0,0,0,0|2,0,0]=4 8645 B11R0.154 CCCOCC(=O)CC(O)CC 1458a_100000745993_100011218378 [0,2,0,0,0,0|1,0,1]=4 8646 B11R0.154 CCCOCC(=O)C[C@@H](C)CO 1458a_100000745993_100000059175 [0,2,0,0,0,0|1,0,1]=4 8647 B11R0.154 CCCSCC(=O)CC(O)CC 1458a_100000217233_100011218378 [0,2,0,0,0,0|1,0,1]=4 8648 B11R0.154 CCCSCC(=O)C[C@@H](C)CO 1458a_100000217233_100000059175 [0,2,0,0,0,0|1,0,1]=4 8649 B11R0.154 CCCSCC(C)N[C@H](C)CO 270004a_100000737577_100011343953 [0,2,0,0,0,0|2,0,0]=4 8650 B11R0.154 CCOCCC(=O)CC(O)CC 1458a_100000749530_100011218378 [0,2,0,0,0,0|1,0,1]=4 8651 B11R0.154 CCOCCC(=O)CC(O)CC 1458a_100011667805_100011215890 [0,2,0,0,0,0|1,0,1]=4 8652 B11R0.154 CCOCCC(=O)C[C@@H](C)CO 1458a_100000749530_100000059175 [0,2,0,0,0,0|1,0,1]=4 8653 B11R0.154 CCOCCC(C)N[C@H](C)CO 270004a_100000737577_200011216536 [0,2,0,0,0,0|2,0,0]=4 8654 B11R0.154 CCOCCN(C)CC(O)CO 2230a_100011216503_100011215890 [0,2,0,0,0,0|1,0,0]=3 8655 B11R0.154 CCOCCN(C)CC(O)CO 269982a_100011216503_100011215890 [0,2,0,0,0,0|1,0,0]=3 8656 B11R0.154 CCSCCC(=O)CC(O)CC 1458a_100000230768_100011218378 [0,2,0,0,0,0|1,0,1]=4 8657 B11R0.154 CCSCCC(=O)CC(O)CC 1458a_100011667805_100000757381 [0,2,0,0,0,0|1,0,1]=4 8658 B11R0.154 CCSCCC(=O)C[C@@H](C)CO 1458a_100000230768_100000059175 [0,2,0,0,0,0|1,0,1]=4 8659 B11R0.154 CCSCCN(C)CC(O)CO 2230a_100011216503_100000757381 [0,2,0,0,0,0|1,0,0]=3 8660 B11R0.154 CCSCCN(C)CC(O)CO 269982a_100011216503_100000757381 [0,2,0,0,0,0|1,0,0]=3 8661 B11R0.154 CN(CCCC#N)CC(O)CO 2230a_100011216503_100000687738 [0,2,0,0,0,0|1,0,1]=4 8662 B11R0.154 CN(CCCC#N)CC(O)CO 269982a_100011216503_100000687738 [0,2,0,0,0,0|1,0,1]=4 8663 B11R0.154 CN(CCCC=O)CC(O)CO 2230a_100011216503_200011292268 [0,2,0,0,0,0|1,0,1]=4 8664 B11R0.154 CN(CCCC=O)CC(O)CO 269982a_100011216503_200011292268 [0,2,0,0,0,0|1,0,1]=4 8665 B11R0.154 CN(CCCCF)CC(O)CO 2230a_100011216503_100000729493 [0,2,0,0,0,0|1,0,0]=3 8666 B11R0.154 CN(CCCCF)CC(O)CO 269982a_100011216503_100000729493 [0,2,0,0,0,0|1,0,0]=3 8667 B11R0.154 CN(CCCCO)CC(O)CO 2230a_100000717598_100011219619 [0,2,0,0,0,0|1,0,0]=3 8668 B11R0.154 CN(CCCCO)CC(O)CO 2230a_100011216503_100000210776 [0,2,0,0,0,0|1,0,0]=3 8669 B11R0.154 CN(CCCCO)CC(O)CO 269982a_100011216503_100000210776 [0,2,0,0,0,0|1,0,0]=3 8670 B11R0.154 CN(CCCCO)C[C@@H](O)CF 2230a_100000717598_100015614560 [0,2,0,0,0,0|2,0,0]=4 8671 B11R0.154 CN(CCCCO)C[C@@H](O)CO 2230a_100000717598_100009815848 [0,2,0,0,0,0|1,0,0]=3 8672 B11R0.154 COCCCC(=O)C[C@@H](C)CO 1458a_100000741012_100000059175 [0,2,0,0,0,0|1,0,1]=4 8673 B11R0.154 COCCCC(C)OC(C)CO 34a_200011539412_100012180447 [0,2,0,0,0,0|2,0,0]=4 8674 B11R0.154 COCCCC(C)OC(C)CO 7a_200011539412_100012180447 [0,2,0,0,0,0|2,0,0]=4 8675 B11R0.154 COCCCN(C)CC(O)CO 2230a_100000224831_100011219619 [0,2,0,0,0,0|1,0,0]=3 8676 B11R0.154 COCCCN(C)CC(O)CO 2230a_100011216503_100000740836 [0,2,0,0,0,0|1,0,0]=3 8677 B11R0.154 COCCCN(C)CC(O)CO 269982a_100011216503_100000740836 [0,2,0,0,0,0|1,0,0]=3 8678 B11R0.154 COCCCN(C)C[C@@H](C)CO 2230a_100000224831_100000059175 [0,2,0,0,0,0|2,0,0]=4 8679 B11R0.154 COCCCN(C)C[C@@H](C)CO 269982a_100000224831_100000059175 [0,2,0,0,0,0|2,0,0]=4 8680 B11R0.154 COCCCN(C)C[C@@H](O)CF 2230a_100000224831_100015614560 [0,2,0,0,0,0|2,0,0]=4 8681 B11R0.154 COCCCN(C)C[C@@H](O)CO 2230a_100000224831_100009815848 [0,2,0,0,0,0|1,0,0]=3 8682 B11R0.154 CSCCCC(=O)C[C@@H](C)CO 1458a_100000173376_100000059175 [0,2,0,0,0,0|1,0,1]=4 8683 B11R0.154 CSCCCC(C)N[C@H](C)CO 270004a_100000737577_100011399439 [0,2,0,0,0,0|2,0,0]=4 8684 B11R0.154 C[C@@H](CO)CC(=O)CCCCO 1458a_100000695505_100000059175 [0,2,0,0,0,0|1,0,1]=4 8685 B11R0.154 C[C@@H](CO)CN(C)CCCCO 2230a_100000717598_100000059175 [0,2,0,0,0,0|2,0,0]=4 8686 B11R0.154 C[C@@H](CO)CN(C)CCCCO 269982a_100000717598_100000059175 [0,2,0,0,0,0|2,0,0]=4 8687 B11R0.166 C#CC(CCCC)OC(C)CO 34a_200011217967_100012180447 [0,2,0,0,0,0|2,0,0]=4 8688 B11R0.166 C#CC(CCCC)OC(C)CO 7a_200011217967_100012180447 [0,2,0,0,0,0|2,0,0]=4 8689 B11R0.166 C=CC(CCCC)OC(C)CO 34a_200011215037_100012180447 [0,2,0,0,0,0|2,0,0]=4 8690 B11R0.166 C=CC(CCCC)OC(C)CO 7a_200011215037_100012180447 [0,2,0,0,0,0|2,0,0]=4 8691 B11R0.166 CCCCC(CC)CC(=O)CO 1458a_100000210174_100000211942 [0,2,0,0,0,0|0,0,2]=4 8692 B11R0.166 CCCCC(CC)N[C@H](C)CO 270004a_100000737577_100000753412 [0,2,0,0,0,0|2,0,0]=4 8693 B11R0.166 CCCCC(CC)OC(C)CO 34a_100011215227_100012180447 [0,2,0,0,0,0|2,0,0]=4 8694 B11R0.166 CCCCC(CC)OC(C)CO 7a_100011215227_100012180447 [0,2,0,0,0,0|2,0,0]=4 8695 B11R0.166 CCCCC(CC)SC(C)CO 62a_100012180447_200011216223 [0,2,0,0,0,0|2,0,0]=4 8696 B11R0.166 CCCCC(CC)S[C@H](C)CO 62a_100016084084_200011216223 [0,2,0,0,0,0|2,0,0]=4 8697 B11R0.166 CCCCC(CC)S[C@H](C)CO 62a_200011216223_100016084084 [0,2,0,0,0,0|2,0,0]=4 8698 B11R0.166 CCCCN(CC)CC(O)CC 2230a_100000207695_100011218378 [0,2,0,0,0,0|2,0,0]=4 8699 B11R0.166 CCCCN(CC)CC(O)CC 2230a_100011365200_100000210211 [0,2,0,0,0,0|2,0,0]=4 8700 B11R0.166 CCCCN(CC)CC(O)CC 269982a_100000207695_100011218378 [0,2,0,0,0,0|2,0,0]=4 8701 B11R0.166 CCCCN(CC)CC(O)CC 269982a_100011365200_100000210211 [0,2,0,0,0,0|2,0,0]=4 8702 B11R0.166 CCCCN(CC)CC(O)CO 2230a_100000207695_100011219619 [0,2,0,0,0,0|1,0,0]=3 8703 B11R0.166 CCCCN(CC)C[C@@H](C)CO 2230a_100000207695_100000059175 [0,2,0,0,0,0|2,0,0]=4 8704 B11R0.166 CCCCN(CC)C[C@@H](C)CO 269982a_100000207695_100000059175 [0,2,0,0,0,0|2,0,0]=4 8705 B11R0.166 CCCCN(CC)C[C@@H](O)CF 2230a_100000207695_100015614560 [0,2,0,0,0,0|2,0,0]=4 8706 B11R0.166 CCCCN(CC)C[C@@H](O)CO 2230a_100000207695_100009815848 [0,2,0,0,0,0|1,0,0]=3 8707 B11R0.166 CCCC[C@@H](CO)NC(C)CO 2230a_100011934283_100012180447 [0,2,0,0,0,0|2,0,0]=4 8708 B11R0.166 CCCC[C@@H](CO)NC(C)CO 34a_100011934283_100012180447 [0,2,0,0,0,0|2,0,0]=4 8709 B11R0.166 CCN(CCOC)CC(O)CO 2230a_100000731262_100011219619 [0,2,0,0,0,0|2,0,0]=4 8710 B11R0.166 CCN(CCOC)C[C@@H](O)CO 2230a_100000731262_100009815848 [0,2,0,0,0,0|2,0,0]=4 8711 B11R0.246 CCCCC(C)(C)OC(C)CO 7a_100011219641_100012180447 [0,2,0,0,0,0|2,0,0]=4 8712 B11R0.9 C=C[C@@H](CO)NCC(C)CCC 2230a_100016989147_100011216630 [0,2,0,0,0,0|2,0,0]=4 8713 B11R0.9 C=C[C@@H](CO)NCC(C)CCC 270004a_100016989147_100000243154 [0,2,0,0,0,0|2,0,0]=4 8714 B11R0.9 C=C[C@@H](CO)NCC(C)CCC 34a_100016989147_100011216630 [0,2,0,0,0,0|2,0,0]=4 8715 B11R0.9 CCCC(=O)CNC(CO)CO 2230a_100000759517_100000747444 [0,2,0,0,0,0|1,0,1]=4 8716 B11R0.9 CCCC(C)CNC(CO)CO 2230a_100000759517_100011216630 [0,2,0,0,0,0|1,0,0]=3 8717 B11R0.9 CCCC(C)CN[C@@H](CC)CO 2230a_100000709445_100011216630 [0,2,0,0,0,0|2,0,0]=4 8718 B11R0.9 CCCC(C)CN[C@@H](CC)CO 270004a_100000709445_100000243154 [0,2,0,0,0,0|2,0,0]=4 8719 B11R0.9 CCCC(C)NCC(CC)OC 270004a_100000731041_100000211909 [0,2,0,0,0,0|2,0,0]=4 8720 B11R0.9 CCCC(C)OCC(CC)OC 34a_100011934954_100000766640 [0,2,0,0,0,0|2,0,0]=4 8721 B11R0.9 CCCC(C)OCC(CC)OC 7a_100011934954_100000766640 [0,2,0,0,0,0|2,0,0]=4 8722 B11R0.22 C=C[C@@H](CO)NCCCC(C)C 2230a_100016989147_100011214892 [0,2,0,0,0,0|2,0,0]=4 8723 B11R0.22 C=C[C@@H](CO)NCCCC(C)C 34a_100016989147_100011214892 [0,2,0,0,0,0|2,0,0]=4 8724 B11R0.22 C=C[C@@H](CO)NCCCC(C)O 2230a_100016989147_200000718107 [0,2,0,0,0,0|2,0,0]=4 8725 B11R0.22 C=C[C@@H](CO)NCCCC(C)O 34a_100016989147_200000718107 [0,2,0,0,0,0|2,0,0]=4 8726 B11R0.22 CC(C)CCCNC(CO)CO 2230a_100000759517_100011214892 [0,2,0,0,0,0|1,0,0]=3 8727 B11R0.22 CC(C)OCCNC(CO)CO 2230a_100000759517_100000211751 [0,2,0,0,0,0|2,0,0]=4 8728 B11R0.22 CC(C)SCCNC(CO)CO 2230a_100000759517_100000730970 [0,2,0,0,0,0|2,0,0]=4 8729 B11R0.22 CC(O)CCCNC(CO)CO 2230a_100000759517_200000718107 [0,2,0,0,0,0|1,0,0]=3 8730 B11R0.22 CCC(CNCCC(C)C)OC 269862a_100000731041_100000185833 [0,2,0,0,0,0|2,0,0]=4 8731 B11R0.22 CCC(COCCC(C)C)OC 34a_100011934954_100000210312 [0,2,0,0,0,0|2,0,0]=4 8732 B11R0.22 CCC(COCCC(C)C)OC 7a_100011934954_100000210626 [0,2,0,0,0,0|2,0,0]=4 8733 B11R0.22 CCC(COCCC(C)O)OC 34a_100011934954_100012276601 [0,2,0,0,0,0|2,0,0]=4 8734 B11R0.22 CCC(COCCC(C)O)OC 7a_100011934954_100012276601 [0,2,0,0,0,0|2,0,0]=4 8735 B11R0.22 CC[C@@H](CO)NCCCC(C)C 2230a_100000709445_100011214892 [0,2,0,0,0,0|2,0,0]=4 8736 B11R0.22 CC[C@@H](CO)NCCCC(C)O 2230a_100000709445_200000718107 [0,2,0,0,0,0|2,0,0]=4 8737 B11R0.76 CCCCCCC(CC)N(C)C 270004a_100102631434_100011219640 [0,2,0,0,0,0|2,0,0]=4 8738 B11R0.76 CCCCCNC(CO)C(=O)O 269956a_100000187304_100000210326 [0,2,0,0,0,0|1,0,0]=3 8739 B11R0.76 CCCCCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100000210326 [0,2,0,0,0,0|2,0,0]=4 8740 B11R0.76 CCCCCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100000718602 [0,2,0,0,0,0|2,0,0]=4 8741 B11R0.76 CCCCCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210326 [0,2,0,0,0,0|1,0,1]=4 8742 B11R0.76 CCCCCN[C@@H](CO)C(=O)N 34a_100000729942_100000718602 [0,2,0,0,0,0|1,0,1]=4 8743 B11R0.76 CCCCCN[C@@H](CO)C(C)C 2230a_100011830312_100000210326 [0,2,0,0,0,0|2,0,0]=4 8744 B11R0.76 CCCCCN[C@@H](CO)C(C)C 34a_100011830312_100000718602 [0,2,0,0,0,0|2,0,0]=4 8745 B11R0.76 CCCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210326 [0,2,0,0,0,0|2,0,0]=4 8746 B11R0.76 CCCCCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000210326 [0,2,0,0,0,0|1,0,0]=3 8747 B11R0.76 CCCCCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000718602 [0,2,0,0,0,0|1,0,0]=3 8748 B11R0.76 CCCCNCC(CO)C(C)C 34a_100000692819_100000210210 [0,2,0,0,0,0|2,0,0]=4 8749 B11R0.76 CCOCCNC(CO)C(=O)O 269956a_100000187304_100000210147 [0,2,0,0,0,0|2,0,0]=4 8750 B11R0.76 CCOCCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100011215890 [0,2,0,0,0,0|2,0,0]=4 8751 B11R0.76 CCOCCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000210147 [0,2,0,0,0,0|2,0,0]=4 8752 B11R0.76 CCSCCNC(CO)C(=O)O 269956a_100000187304_100000757381 [0,2,0,0,0,0|2,0,0]=4 8753 B11R0.76 CCSCCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000757381 [0,2,0,0,0,0|2,0,0]=4 8754 B11R0.76 CCSCCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000757381 [0,2,0,0,0,0|2,0,0]=4 8755 B11R0.76 COCCCNC(CO)C(=O)O 269956a_100000187304_100000740836 [0,2,0,0,0,0|2,0,0]=4 8756 B11R0.76 COCCCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000740836 [0,2,0,0,0,0|2,0,0]=4 8757 B11R0.76 COCCCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000740836 [0,2,0,0,0,0|2,0,0]=4 8758 B11R0.76 C[C@@H](O)[C@@H](CO)NCCCCF 2230a_100015196842_100000729493 [0,2,0,0,0,0|2,0,0]=4 8759 B11R0.76 C[C@@H](O)[C@@H](CO)NCCCCF 34a_100015196842_100000729493 [0,2,0,0,0,0|2,0,0]=4 8760 B11R0.76 C[C@@H](O)[C@@H](CO)NCCCCO 2230a_100015196842_100000210776 [0,2,0,0,0,0|2,0,0]=4 8761 B11R0.76 C[C@@H](O)[C@@H](CO)NCCCCO 34a_100015196842_100011216708 [0,2,0,0,0,0|2,0,0]=4 8762 B11R0.76 O=C(O)C(CO)NCCCCF 269956a_100000187304_100000729493 [0,2,0,0,0,0|2,0,0]=4 8763 B11R0.76 O=C(O)C(CO)NCCCCO 269956a_100000187304_100000210776 [0,2,0,0,0,0|2,0,0]=4 8764 B11R0.124 C#CC(CC)OCCCCCC 34a_100000758843_100000210314 [0,2,0,0,0,0|2,0,0]=4 8765 B11R0.124 C#CC(CC)OCCCCCC 7a_100000758843_100000210314 [0,2,0,0,0,0|2,0,0]=4 8766 B11R0.124 C#CCCCCNC(CO)CO 2230a_100000759517_100010269958 [0,2,0,0,0,0|0,0,2]=4 8767 B11R0.124 C=CC(CC)OCCCCCC 34a_100000766422_100000210314 [0,2,0,0,0,0|2,0,0]=4 8768 B11R0.124 C=CC(CC)OCCCCCC 7a_100000766422_100000210314 [0,2,0,0,0,0|2,0,0]=4 8769 B11R0.124 C=CC(CCCCCCC)OC 34a_200011934235_200000210301 [0,2,0,0,0,0|1,0,1]=4 8770 B11R0.124 C=CC(CCCCCCC)OC 7a_200011934235_200000210301 [0,2,0,0,0,0|1,0,1]=4 8771 B11R0.124 C=CC(CCCCCCC)O[13CH3] 34a_200011934235_200025704644 [0,2,0,0,0,0|1,0,1]=4 8772 B11R0.124 C=CC(CCCCCCC)O[13CH3] 7a_200011934235_200025704644 [0,2,0,0,0,0|1,0,1]=4 8773 B11R0.124 C=CCCCCNC(CO)CO 2230a_100000759517_100011215482 [0,2,0,0,0,0|0,0,2]=4 8774 B11R0.124 C=C[C@@H](CO)NCCCCCC 2230a_100016989147_100000210314 [0,2,0,0,0,0|1,0,0]=3 8775 B11R0.124 C=C[C@@H](CO)NCCCCCC 34a_100016989147_100000210314 [0,2,0,0,0,0|1,0,0]=3 8776 B11R0.124 C=C[C@@H](CO)NCCCCCF 2230a_100016989147_100000729378 [0,2,0,0,0,0|2,0,0]=4 8777 B11R0.124 C=C[C@@H](CO)NCCCCCF 34a_100016989147_100000729378 [0,2,0,0,0,0|2,0,0]=4 8778 B11R0.124 C=C[C@@H](CO)NCCCCCO 2230a_100016989147_100000746330 [0,2,0,0,0,0|2,0,0]=4 8779 B11R0.124 C=C[C@@H](CO)NCCCCCO 34a_100016989147_100000746330 [0,2,0,0,0,0|2,0,0]=4 8780 B11R0.124 C=C[C@@H](CO)NCCCCOC 2230a_100016989147_100000730899 [0,2,0,0,0,0|2,0,0]=4 8781 B11R0.124 C=C[C@@H](CO)NCCCCOC 34a_100016989147_100000755781 [0,2,0,0,0,0|2,0,0]=4 8782 B11R0.124 C=C[C@@H](CO)NCCCOCC 2230a_100016989147_100012232248 [0,2,0,0,0,0|2,0,0]=4 8783 B11R0.124 C=C[C@@H](CO)NCCCOCC 34a_100016989147_100012232248 [0,2,0,0,0,0|2,0,0]=4 8784 B11R0.124 C=C[C@@H](CO)NCCOCCC 2230a_100016989147_100011215938 [0,2,0,0,0,0|2,0,0]=4 8785 B11R0.124 C=C[C@@H](CO)NCCOCCC 34a_100016989147_100011215938 [0,2,0,0,0,0|2,0,0]=4 8786 B11R0.124 C=C[C@@H](CO)NCOCCCC 2230a_100016989147_100011995733 [0,2,0,0,0,0|2,0,0]=4 8787 B11R0.124 C=C[C@@H](CO)NCOCCCC 34a_100016989147_100011995733 [0,2,0,0,0,0|2,0,0]=4 8788 B11R0.124 CC/C=C\CCNC(CO)CO 2230a_100000759517_100015370543 [0,2,0,0,0,0|0,0,2]=4 8789 B11R0.124 CCC(COCCCCF)OC 34a_100011934954_100000729493 [0,2,0,0,0,0|2,0,0]=4 8790 B11R0.124 CCC(COCCCCF)OC 7a_100011934954_100000729493 [0,2,0,0,0,0|2,0,0]=4 8791 B11R0.124 CCC(COCCCCO)OC 34a_100011934954_100011216708 [0,2,0,0,0,0|2,0,0]=4 8792 B11R0.124 CCC(COCCCCO)OC 7a_100011934954_100000210776 [0,2,0,0,0,0|2,0,0]=4 8793 B11R0.124 CCC(COCCCOC)OC 34a_100011934954_100000740836 [0,2,0,0,0,0|2,0,0]=4 8794 B11R0.124 CCC(COCCCOC)OC 7a_100011934954_100000740836 [0,2,0,0,0,0|2,0,0]=4 8795 B11R0.124 CCCCCCCC(CC)NC 270004a_106832991635_200011217162 [0,2,0,0,0,0|2,0,0]=4 8796 B11R0.124 CCCCCCCC(CC)OC 34a_200011217053_200000210301 [0,2,0,0,0,0|1,0,0]=3 8797 B11R0.124 CCCCCCCC(CC)OC 7a_200011217053_200000210301 [0,2,0,0,0,0|1,0,0]=3 8798 B11R0.124 CCCCCCCC(CC)O[13CH3] 34a_200011217053_200025704644 [0,2,0,0,0,0|1,0,0]=3 8799 B11R0.124 CCCCCCCC(CC)O[13CH3] 7a_200011217053_200025704644 [0,2,0,0,0,0|1,0,0]=3 8800 B11R0.124 CCCCCCNC(CC)CC 2230a_100000199018_100000210314 [0,2,0,0,0,0|2,0,0]=4 8801 B11R0.124 CCCCCCNC(CC)CC 270004a_100000210581_100000210860 [0,2,0,0,0,0|2,0,0]=4 8802 B11R0.124 CCCCCCNC(CO)CO 2230a_100000759517_100000210314 [0,2,0,0,0,0|0,0,0]=2 8803 B11R0.124 CCCCCCN[C@@H](CC)CO 2230a_100000709445_100000210314 [0,2,0,0,0,0|1,0,0]=3 8804 B11R0.124 CCCCCCOC(CC)CC 7a_100000210259_100000210505 [0,2,0,0,0,0|2,0,0]=4 8805 B11R0.124 CCCCCCOC(CC)CC 7a_100000688536_100000210314 [0,2,0,0,0,0|2,0,0]=4 8806 B11R0.124 CCCCCCOC(CCl)CCl 7a_100000737055_100000210314 [0,2,0,0,0,0|2,0,0]=4 8807 B11R0.124 CCCCCCOC(CF)CF 34a_100000032261_100000210314 [0,2,0,0,0,0|2,0,0]=4 8808 B11R0.124 CCCCCCOC(CF)CF 7a_100000032261_100000210314 [0,2,0,0,0,0|2,0,0]=4 8809 B11R0.124 CCCCCCOC(CN)CN 34a_100000031598_100000210314 [0,2,0,0,0,0|2,0,0]=4 8810 B11R0.124 CCCCCCO[C@@H](CF)CCl 34a_100015614560_100000210314 [0,2,0,0,0,0|2,0,0]=4 8811 B11R0.124 CCCCCCO[C@@H](CF)CCl 7a_100015614560_100000210314 [0,2,0,0,0,0|2,0,0]=4 8812 B11R0.124 CCCCCCSC(CC)CC 62a_100000210314_100000210505 [0,2,0,0,0,0|2,0,0]=4 8813 B11R0.124 CCCCCCSC(CC)CC 62a_100000210505_100000210757 [0,2,0,0,0,0|2,0,0]=4 8814 B11R0.124 CCCCCNCC(CC)CC 2230a_100000209983_100011215472 [0,2,0,0,0,0|2,0,0]=4 8815 B11R0.124 CCCCCNCC(CC)CC 2230a_100102946423_100000210326 [0,2,0,0,0,0|2,0,0]=4 8816 B11R0.124 CCCCCNCC(CC)CC 269862a_100000209983_100000211137 [0,2,0,0,0,0|2,0,0]=4 8817 B11R0.124 CCCCCNCC(CC)CC 270004a_100000209983_100000211137 [0,2,0,0,0,0|2,0,0]=4 8818 B11R0.124 CCCCCNCC(OC)OC 2230a_100000209983_100000751394 [0,2,0,0,0,0|2,0,0]=4 8819 B11R0.124 CCCCCNCC(OC)OC 270004a_100000209983_100000752162 [0,2,0,0,0,0|2,0,0]=4 8820 B11R0.124 CCCCCNN=C(CO)CO 4a_100000694160_100000036256 [0,2,0,0,0,0|1,0,1]=4 8821 B11R0.124 CCCCCOCC(CC)CC 34a_100000210253_100011215472 [0,2,0,0,0,0|2,0,0]=4 8822 B11R0.124 CCCCCOCC(CC)CC 7a_100000210253_100011215472 [0,2,0,0,0,0|2,0,0]=4 8823 B11R0.124 CCCCCOCC(CC)CC 7a_100000703878_100000210326 [0,2,0,0,0,0|2,0,0]=4 8824 B11R0.124 CCCCCOCC(CC)OC 34a_100011934954_100000718602 [0,2,0,0,0,0|1,0,0]=3 8825 B11R0.124 CCCCCOCC(CC)OC 7a_100011934954_100000210326 [0,2,0,0,0,0|1,0,0]=3 8826 B11R0.124 CCCCCOCC(OC)OC 34a_100000210253_100000211822 [0,2,0,0,0,0|2,0,0]=4 8827 B11R0.124 CCCCCOCC(OC)OC 34a_100011216393_100000718602 [0,2,0,0,0,0|2,0,0]=4 8828 B11R0.124 CCCCCOCC(OC)OC 7a_100000210253_100000751394 [0,2,0,0,0,0|2,0,0]=4 8829 B11R0.124 CCCCCSCC(CC)CC 62a_100000210326_100011215472 [0,2,0,0,0,0|2,0,0]=4 8830 B11R0.124 CCCCCSCC(CC)CC 62a_100011215472_100000210326 [0,2,0,0,0,0|2,0,0]=4 8831 B11R0.124 CCCCCSCC(OC)OC 62a_100000210326_100000751394 [0,2,0,0,0,0|2,0,0]=4 8832 B11R0.124 CCCCCSCC(OC)OC 62a_100000751394_100000210326 [0,2,0,0,0,0|2,0,0]=4 8833 B11R0.124 CCCCNCCC(OC)OC 2230a_100000102301_100009813347 [0,2,0,0,0,0|2,0,0]=4 8834 B11R0.124 CCCCNCCC(OC)OC 7a_106832991798_100009813347 [0,2,0,0,0,0|2,0,0]=4 8835 B11R0.124 CCCCOCCC(OC)OC 34a_100000210227_100000139399 [0,2,0,0,0,0|2,0,0]=4 8836 B11R0.124 CCCCOCCC(OC)OC 7a_100000210227_100009813347 [0,2,0,0,0,0|2,0,0]=4 8837 B11R0.124 CCCCOCNC(CO)CO 2230a_100000759517_100011995733 [0,2,0,0,0,0|1,0,0]=3 8838 B11R0.124 CCCCOCN[C@@H](CC)CO 2230a_100000709445_100011995733 [0,2,0,0,0,0|2,0,0]=4 8839 B11R0.124 CCCCSCCC(OC)OC 62a_100000139399_100000210210 [0,2,0,0,0,0|2,0,0]=4 8840 B11R0.124 CCCCSCCC(OC)OC 62a_100000210211_100000139399 [0,2,0,0,0,0|2,0,0]=4 8841 B11R0.124 CCCOCCCC(OC)OC 34a_100000210258_100000069011 [0,2,0,0,0,0|2,0,0]=4 8842 B11R0.124 CCCOCCNC(CO)CO 2230a_100000759517_100011215938 [0,2,0,0,0,0|1,0,0]=3 8843 B11R0.124 CCCOCCN[C@@H](CC)CO 2230a_100000709445_100011215938 [0,2,0,0,0,0|2,0,0]=4 8844 B11R0.124 CCCSCCCC(OC)OC 62a_100000069011_100000210303 [0,2,0,0,0,0|2,0,0]=4 8845 B11R0.124 CCCSCCCC(OC)OC 62a_100000210303_100000069011 [0,2,0,0,0,0|2,0,0]=4 8846 B11R0.124 CCOCCCNC(CO)CO 2230a_100000759517_100012232248 [0,2,0,0,0,0|1,0,0]=3 8847 B11R0.124 CCOCCCN[C@@H](CC)CO 2230a_100000709445_100012232248 [0,2,0,0,0,0|2,0,0]=4 8848 B11R0.124 CCOCCOCC(CC)OC 34a_100011934954_100000210147 [0,2,0,0,0,0|2,0,0]=4 8849 B11R0.124 CCOCCOCC(CC)OC 7a_100011934954_100011215890 [0,2,0,0,0,0|2,0,0]=4 8850 B11R0.124 CCSCCOCC(CC)OC 34a_100011934954_100000757381 [0,2,0,0,0,0|2,0,0]=4 8851 B11R0.124 CCSCCOCC(CC)OC 7a_100011934954_100000757381 [0,2,0,0,0,0|2,0,0]=4 8852 B11R0.124 CC[C@@H](CO)NCCCCCF 2230a_100000709445_100000729378 [0,2,0,0,0,0|2,0,0]=4 8853 B11R0.124 CC[C@@H](CO)NCCCCCO 2230a_100000709445_100000746330 [0,2,0,0,0,0|2,0,0]=4 8854 B11R0.124 CC[C@@H](CO)NCCCCOC 2230a_100000709445_100000730899 [0,2,0,0,0,0|2,0,0]=4 8855 B11R0.124 COCCCCNC(CO)CO 2230a_100000759517_100000730899 [0,2,0,0,0,0|1,0,0]=3 8856 B11R0.124 COCCOCNC(CO)CO 2230a_100000759517_100000231047 [0,2,0,0,0,0|2,0,0]=4 8857 B11R0.124 N#CCCCCNC(CO)CO 2230a_100000759517_100000211819 [0,2,0,0,0,0|1,0,1]=4 8858 B11R0.124 O=CCCCCNC(CO)CO 2230a_100000759517_100000139335 [0,2,0,0,0,0|1,0,1]=4 8859 B11R0.124 OCC(CO)NCCCCCF 2230a_100000759517_100000729378 [0,2,0,0,0,0|1,0,0]=3 8860 B11R0.124 OCCCCCNC(CO)CO 2230a_100000759517_100000746330 [0,2,0,0,0,0|1,0,0]=3 8861 B11R0.124 OCCOCCNC(CO)CO 2230a_100000759517_100011215305 [0,2,0,0,0,0|2,0,0]=4 8862 B11R0.157 CCCCCC(=O)C(CC)OC 1458a_100000747056_100000210326 [0,2,0,0,0,0|1,0,1]=4 8863 B11R0.200 CCC(C)CNCC(CC)OC 270004a_100000731041_100000243153 [0,2,0,0,0,0|2,0,0]=4 8864 B11R0.200 CCC(C)COCC(CC)OC 34a_100011934954_100000748023 [0,2,0,0,0,0|2,0,0]=4 8865 B11R0.200 CCC(C)COCC(CC)OC 7a_100011934954_100000748023 [0,2,0,0,0,0|2,0,0]=4 8866 B11R0.200 CCC(CC)CNCC(C)CO 269862a_100000744482_100000211137 [0,2,0,0,0,0|2,0,0]=4 8867 B11R0.200 CCC(CC)CNCC(C)CO 34a_100000744482_100011215472 [0,2,0,0,0,0|2,0,0]=4 8868 B11R0.200 CCC(CC)CNCC(O)CO 2230a_100102946423_100011219619 [0,2,0,0,0,0|1,0,0]=3 8869 B11R0.200 CCC(CC)CNC[C@@H](C)CO 2230a_100102946423_100000059175 [0,2,0,0,0,0|2,0,0]=4 8870 B11R0.200 CCC(CC)CNC[C@@H](F)CO 269862a_100015665980_100000211137 [0,2,0,0,0,0|2,0,0]=4 8871 B11R0.200 CCC(CC)CNC[C@@H](F)CO 270004a_100015665980_100000211137 [0,2,0,0,0,0|2,0,0]=4 8872 B11R0.200 CCC(CC)CNC[C@@H](F)CO 34a_100015665980_100011215472 [0,2,0,0,0,0|2,0,0]=4 8873 B11R0.200 CCC(CC)CNC[C@@H](O)CF 2230a_100102946423_100015614560 [0,2,0,0,0,0|2,0,0]=4 8874 B11R0.200 CCC(CC)CNC[C@@H](O)CO 2230a_100102946423_100009815848 [0,2,0,0,0,0|1,0,0]=3 8875 B11R0.200 CCC(CC)CNC[C@H](O)CO 2230a_100020644852_100011215472 [0,2,0,0,0,0|1,0,0]=3 8876 B11R0.200 CCC(CC)CNC[C@H](O)CO 269862a_100020644852_100000211137 [0,2,0,0,0,0|1,0,0]=3 8877 B11R0.200 CCC(CC)COCC(O)CO 7a_100000703878_100011219619 [0,2,0,0,0,0|1,0,0]=3 8878 B11R0.200 CCC(CC)COC[C@@H](C)CO 7a_100000703878_100000059175 [0,2,0,0,0,0|2,0,0]=4 8879 B11R0.200 CCC(CC)COC[C@@H](O)CF 7a_100000703878_100015614560 [0,2,0,0,0,0|2,0,0]=4 8880 B11R0.200 CCC(CC)COC[C@@H](O)CO 7a_100000703878_100009815848 [0,2,0,0,0,0|1,0,0]=3 8881 B11R0.200 CCC(CC)CSCC(O)CO 62a_100011215472_100011219619 [0,2,0,0,0,0|1,0,0]=3 8882 B11R0.200 CCC(CC)CSCC(O)CO 62a_100011219619_100011215472 [0,2,0,0,0,0|1,0,0]=3 8883 B11R0.200 CCC(CC)CSC[C@@H](C)CO 62a_100000059175_100011215472 [0,2,0,0,0,0|2,0,0]=4 8884 B11R0.200 CCC(CC)CSC[C@@H](C)CO 62a_100011215472_100000059175 [0,2,0,0,0,0|2,0,0]=4 8885 B11R0.200 CCC(CC)CSC[C@@H](O)CF 62a_100011215472_100015614560 [0,2,0,0,0,0|2,0,0]=4 8886 B11R0.200 CCC(CC)CSC[C@@H](O)CF 62a_100015614560_100011215472 [0,2,0,0,0,0|2,0,0]=4 8887 B11R0.200 CCC(CC)CSC[C@@H](O)CO 62a_100009815848_100011215472 [0,2,0,0,0,0|1,0,0]=3 8888 B11R0.200 CCC(CC)CSC[C@@H](O)CO 62a_100011215472_100009815848 [0,2,0,0,0,0|1,0,0]=3 8889 B11R0.200 CCC(CC)NCCC(C)CO 270004a_106354213184_100000210860 [0,2,0,0,0,0|2,0,0]=4 8890 B11R0.200 CCC(COCC(O)CO)OC 34a_100011934954_100011219619 [0,2,0,0,0,0|1,0,0]=3 8891 B11R0.200 CCC(COCC(O)CO)OC 7a_100011934954_100011219619 [0,2,0,0,0,0|1,0,0]=3 8892 B11R0.200 CCC(COC[C@@H](C)CC)OC 34a_100011934954_100009816398 [0,2,0,0,0,0|2,0,0]=4 8893 B11R0.200 CCC(COC[C@@H](C)CC)OC 7a_100011934954_100009816398 [0,2,0,0,0,0|2,0,0]=4 8894 B11R0.200 CCC(COC[C@@H](C)CO)OC 34a_100011934954_100000059175 [0,2,0,0,0,0|2,0,0]=4 8895 B11R0.200 CCC(COC[C@@H](C)CO)OC 7a_100011934954_100000059175 [0,2,0,0,0,0|2,0,0]=4 8896 B11R0.200 CCC(COC[C@@H](O)CF)OC 34a_100011934954_100015614560 [0,2,0,0,0,0|2,0,0]=4 8897 B11R0.200 CCC(COC[C@@H](O)CF)OC 7a_100011934954_100015614560 [0,2,0,0,0,0|2,0,0]=4 8898 B11R0.200 CCC(COC[C@@H](O)CO)OC 34a_100011934954_100009815848 [0,2,0,0,0,0|1,0,0]=3 8899 B11R0.200 CCC(COC[C@@H](O)CO)OC 7a_100011934954_100009815848 [0,2,0,0,0,0|1,0,0]=3 8900 B11R0.200 CCC(O)CNCC(CC)CC 2230a_100011218483_100011215472 [0,2,0,0,0,0|2,0,0]=4 8901 B11R0.200 CCC(O)CNCC(CC)CC 2230a_100102946423_100011218378 [0,2,0,0,0,0|2,0,0]=4 8902 B11R0.200 CCC(O)CNCC(CC)CC 269862a_100011218483_100000211137 [0,2,0,0,0,0|2,0,0]=4 8903 B11R0.200 CCC(O)CNCC(CC)CC 270004a_100011218483_100000211137 [0,2,0,0,0,0|2,0,0]=4 8904 B11R0.200 CCC(O)COCC(CC)CC 7a_100000703878_100011218378 [0,2,0,0,0,0|2,0,0]=4 8905 B11R0.200 CCC(O)COCC(CC)OC 34a_100011934954_100011218378 [0,2,0,0,0,0|2,0,0]=4 8906 B11R0.200 CCC(O)COCC(CC)OC 7a_100011934954_100011218378 [0,2,0,0,0,0|2,0,0]=4 8907 B11R0.200 CCC(O)CSCC(CC)CC 62a_100011215472_100011218378 [0,2,0,0,0,0|2,0,0]=4 8908 B11R0.200 CCC(O)CSCC(CC)CC 62a_100011218378_100011215472 [0,2,0,0,0,0|2,0,0]=4 8909 B11R0.200 CCN(CC)COCC(O)CO 7a_200015374951_100011219619 [0,2,0,0,0,0|2,0,0]=4 8910 B11R0.200 CCN(CC)COC[C@@H](O)CO 7a_200015374951_100009815848 [0,2,0,0,0,0|2,0,0]=4 8911 B11R0.200 COC(CNC[C@H](O)CO)OC 2230a_100020644852_100000751394 [0,2,0,0,0,0|2,0,0]=4 8912 B11R0.200 COC(COCC(O)CO)OC 34a_100011216393_100011219619 [0,2,0,0,0,0|2,0,0]=4 8913 B11R0.200 COC(COC[C@@H](O)CO)OC 34a_100011216393_100009815848 [0,2,0,0,0,0|2,0,0]=4 8914 B11R0.200 COC(CSCC(O)CO)OC 62a_100000751394_100011219619 [0,2,0,0,0,0|2,0,0]=4 8915 B11R0.200 COC(CSCC(O)CO)OC 62a_100011219619_100000751394 [0,2,0,0,0,0|2,0,0]=4 8916 B11R0.200 COC(CSC[C@@H](O)CO)OC 62a_100000751394_100009815848 [0,2,0,0,0,0|2,0,0]=4 8917 B11R0.200 COC(CSC[C@@H](O)CO)OC 62a_100009815848_100000751394 [0,2,0,0,0,0|2,0,0]=4 8918 B11R0.305 C#CC(C)(CCCCCC)OC 34a_200000042405_200000210301 [0,2,0,0,0,0|1,0,1]=4 8919 B11R0.305 C#CC(C)(CCCCCC)OC 7a_200000042405_200000210301 [0,2,0,0,0,0|1,0,1]=4 8920 B11R0.305 C#CC(C)(CCCCCC)O[13CH3] 34a_200000042405_200025704644 [0,2,0,0,0,0|1,0,1]=4 8921 B11R0.305 C#CC(C)(CCCCCC)O[13CH3] 7a_200000042405_200025704644 [0,2,0,0,0,0|1,0,1]=4 8922 B11R0.29 CC(C)CCCCC(=O)C(O)O 1458a_100000233687_100011216152 [0,2,0,0,0,0|0,0,2]=4 8923 B11R0.29 CC(C)CCCCC(=O)[C@@H](C)O 1458a_100000717761_100011216152 [0,2,0,0,0,0|0,0,2]=4 8924 B11R0.29 CC(C)CCCCC(=O)[C@H](C)O 1458a_217856618621_100011216152 [0,2,0,0,0,0|0,0,2]=4 8925 B11R0.29 CC(C)CCNCC(O)C(C)C 2230a_100000759067_100000210312 [0,2,0,0,0,0|2,0,0]=4 8926 B11R0.29 CC(C)CCNCC(O)C(C)C 269862a_100000759067_100000185833 [0,2,0,0,0,0|2,0,0]=4 8927 B11R0.29 CC(C)CCNCC(O)C(C)C 34a_100000759067_100000210312 [0,2,0,0,0,0|2,0,0]=4 8928 B11R0.29 CC(O)CCNCC(O)C(C)C 2230a_100000759067_100012276601 [0,2,0,0,0,0|2,0,0]=4 8929 B11R0.29 CC(O)CCNCC(O)C(C)C 34a_100000759067_100012276601 [0,2,0,0,0,0|2,0,0]=4 8930 B11R0.106 C=CC(O)CNCCC(C)CC 2230a_100020591266_100000730141 [0,2,0,0,0,0|1,0,1]=4 8931 B11R0.106 C=CC(O)COCCC(C)CC 7a_100011215188_100000730141 [0,2,0,0,0,0|1,0,1]=4 8932 B11R0.106 CC(CO)CCNCC(O)CO 2230a_106354213184_100011219619 [0,2,0,0,0,0|1,0,0]=3 8933 B11R0.106 CC(CO)CCNCC(O)CO 34a_106354213184_100011219619 [0,2,0,0,0,0|1,0,0]=3 8934 B11R0.106 CC(CO)CCNC[C@@H](C)CO 2230a_106354213184_100000059175 [0,2,0,0,0,0|2,0,0]=4 8935 B11R0.106 CC(CO)CCNC[C@@H](C)CO 34a_106354213184_100000059175 [0,2,0,0,0,0|2,0,0]=4 8936 B11R0.106 CC(CO)CCNC[C@@H](O)CF 2230a_106354213184_100015614560 [0,2,0,0,0,0|2,0,0]=4 8937 B11R0.106 CC(CO)CCNC[C@@H](O)CF 34a_106354213184_100015614560 [0,2,0,0,0,0|2,0,0]=4 8938 B11R0.106 CC(CO)CCNC[C@@H](O)CO 2230a_106354213184_100009815848 [0,2,0,0,0,0|1,0,0]=3 8939 B11R0.106 CC(CO)CCNC[C@@H](O)CO 34a_106354213184_100009815848 [0,2,0,0,0,0|1,0,0]=3 8940 B11R0.106 CC(CO)OCCC[C@@H](C)CN 34a_100160569302_100012180447 [0,2,0,0,0,0|2,0,0]=4 8941 B11R0.106 CCC(C)CCCOC(C)CC 7a_100011216074_100000758301 [0,2,0,0,0,0|2,0,0]=4 8942 B11R0.106 CCC(C)CCCOC(C)CO 7a_100011216074_100012180447 [0,2,0,0,0,0|1,0,0]=3 8943 B11R0.106 CCC(C)CCNCC(C)CC 2230a_100020591266_100000748023 [0,2,0,0,0,0|2,0,0]=4 8944 B11R0.106 CCC(C)CCNCC(C)CC 270004a_100020591266_100000243153 [0,2,0,0,0,0|2,0,0]=4 8945 B11R0.106 CCC(C)CCNCC(O)CC 2230a_100020591266_100011218378 [0,2,0,0,0,0|1,0,0]=3 8946 B11R0.106 CCC(C)CCNCC(O)CO 2230a_100020591266_100011219619 [0,2,0,0,0,0|0,0,0]=2 8947 B11R0.106 CCC(C)CCNC[C@@H](C)CC 2230a_100020591266_100009816398 [0,2,0,0,0,0|2,0,0]=4 8948 B11R0.106 CCC(C)CCNC[C@@H](C)CO 2230a_100020591266_100000059175 [0,2,0,0,0,0|1,0,0]=3 8949 B11R0.106 CCC(C)CCNC[C@@H](O)CF 2230a_100020591266_100015614560 [0,2,0,0,0,0|1,0,0]=3 8950 B11R0.106 CCC(C)CCNC[C@@H](O)CO 2230a_100020591266_100009815848 [0,2,0,0,0,0|0,0,0]=2 8951 B11R0.106 CCC(C)CCOCC(C)CC 7a_100011215188_100000748023 [0,2,0,0,0,0|2,0,0]=4 8952 B11R0.106 CCC(C)CCOCC(O)CC 7a_100011215188_100011218378 [0,2,0,0,0,0|1,0,0]=3 8953 B11R0.106 CCC(C)CCOCC(O)CO 7a_100011215188_100011219619 [0,2,0,0,0,0|0,0,0]=2 8954 B11R0.106 CCC(C)CCOC[C@@H](C)CC 7a_100011215188_100009816398 [0,2,0,0,0,0|2,0,0]=4 8955 B11R0.106 CCC(C)CCOC[C@@H](C)CO 7a_100011215188_100000059175 [0,2,0,0,0,0|1,0,0]=3 8956 B11R0.106 CCC(C)CCOC[C@@H](O)CF 7a_100011215188_100015614560 [0,2,0,0,0,0|1,0,0]=3 8957 B11R0.106 CCC(C)CCOC[C@@H](O)CO 7a_100011215188_100009815848 [0,2,0,0,0,0|0,0,0]=2 8958 B11R0.106 CCC(C)CNCCC(C)CO 2230a_106354213184_100000748023 [0,2,0,0,0,0|1,0,0]=3 8959 B11R0.106 CCC(C)CNCCC(C)CO 270004a_106354213184_100000243153 [0,2,0,0,0,0|1,0,0]=3 8960 B11R0.106 CCC(C)CNCCC(C)CO 34a_106354213184_100000748023 [0,2,0,0,0,0|1,0,0]=3 8961 B11R0.106 CCC(C)OCCC[C@@H](C)CN 34a_100160569302_100011215416 [0,2,0,0,0,0|2,0,0]=4 8962 B11R0.106 CCC(O)CNCCC(C)CO 2230a_106354213184_100011218378 [0,2,0,0,0,0|1,0,0]=3 8963 B11R0.106 CCC(O)CNCCC(C)CO 34a_106354213184_100011218378 [0,2,0,0,0,0|1,0,0]=3 8964 B11R0.106 CCC(O)CNN=CC(O)CO 4a_100015206393_100000033539 [0,2,0,0,0,0|1,0,1]=4 8965 B11R0.106 CCC(O)COCCC(C)OC 7a_100000764861_100011218378 [0,2,0,0,0,0|2,0,0]=4 8966 B11R0.106 CCN(C)CCCN[C@H](C)CO 2230a_100000737577_100015186262 [0,2,0,0,0,0|2,0,0]=4 8967 B11R0.106 CCN(C)CCCSC(C)CO 62a_100012180447_100015186262 [0,2,0,0,0,0|2,0,0]=4 8968 B11R0.106 CCN(C)CCCS[C@H](C)CO 62a_100016084084_100015186262 [0,2,0,0,0,0|2,0,0]=4 8969 B11R0.106 CC[C@H](C)CNCCC(C)CO 2230a_106354213184_100009816398 [0,2,0,0,0,0|1,0,0]=3 8970 B11R0.106 CC[C@H](C)CNCCC(C)CO 34a_106354213184_100009816398 [0,2,0,0,0,0|1,0,0]=3 8971 B11R0.106 CNC(=O)CCNCC(O)CO 2230a_100000738227_100011219619 [0,2,0,0,0,0|1,0,1]=4 8972 B11R0.106 CNC(=O)CCNCC(O)CO 34a_100000738227_100011219619 [0,2,0,0,0,0|1,0,1]=4 8973 B11R0.106 CNC(=O)CCNC[C@@H](O)CO 2230a_100000738227_100009815848 [0,2,0,0,0,0|1,0,1]=4 8974 B11R0.106 CNC(=O)CCNC[C@@H](O)CO 34a_100000738227_100009815848 [0,2,0,0,0,0|1,0,1]=4 8975 B11R0.106 CNC(=O)CCNC[C@H](O)CO 2230a_100020644852_100000737683 [0,2,0,0,0,0|1,0,1]=4 8976 B11R0.106 CNC(=O)CCOCC(O)CO 34a_100000754576_100011219619 [0,2,0,0,0,0|1,0,1]=4 8977 B11R0.106 CNC(=O)CCOC[C@@H](O)CO 34a_100000754576_100009815848 [0,2,0,0,0,0|1,0,1]=4 8978 B11R0.106 CNC(=O)CCSCC(O)CO 62a_100000737683_100011219619 [0,2,0,0,0,0|1,0,1]=4 8979 B11R0.106 CNC(=O)CCSCC(O)CO 62a_100011219619_100000737683 [0,2,0,0,0,0|1,0,1]=4 8980 B11R0.106 CNC(=O)CCSC[C@@H](O)CO 62a_100000737683_100009815848 [0,2,0,0,0,0|1,0,1]=4 8981 B11R0.106 CNC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000737683 [0,2,0,0,0,0|1,0,1]=4 8982 B11R0.106 COC(=O)CCNC[C@H](O)CO 2230a_100020644852_100000204255 [0,2,0,0,0,0|1,0,1]=4 8983 B11R0.106 COC(=O)CCSCC(O)CO 62a_100000204255_100011219619 [0,2,0,0,0,0|1,0,1]=4 8984 B11R0.106 COC(=O)CCSCC(O)CO 62a_100011219619_100000204255 [0,2,0,0,0,0|1,0,1]=4 8985 B11R0.106 COC(=O)CCSC[C@@H](O)CO 62a_100000204255_100009815848 [0,2,0,0,0,0|1,0,1]=4 8986 B11R0.106 COC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000204255 [0,2,0,0,0,0|1,0,1]=4 8987 B11R0.106 COC(C)CCOCC(O)CO 7a_100000764861_100011219619 [0,2,0,0,0,0|1,0,0]=3 8988 B11R0.106 COC(C)CCOC[C@@H](C)CO 7a_100000764861_100000059175 [0,2,0,0,0,0|2,0,0]=4 8989 B11R0.106 COC(C)CCOC[C@@H](O)CF 7a_100000764861_100015614560 [0,2,0,0,0,0|2,0,0]=4 8990 B11R0.106 COC(C)CCOC[C@@H](O)CO 7a_100000764861_100009815848 [0,2,0,0,0,0|1,0,0]=3 8991 B11R0.107 CC(C)CC(=O)NC[C@H](O)CO 240690a_100020644852_100000210554 [0,2,0,0,0,0|1,0,1]=4 8992 B11R0.107 CC(C)CC(=O)NC[C@H](O)CO 527a_100020644852_100000210554 [0,2,0,0,0,0|1,0,1]=4 8993 B11R0.107 CC(C)CC(C)NCC(C)CO 34a_100000744482_100000731052 [0,2,0,0,0,0|2,0,0]=4 8994 B11R0.107 CC(C)CC(C)NCC(O)CO 2230a_100000692259_100011219619 [0,2,0,0,0,0|1,0,0]=3 8995 B11R0.107 CC(C)CC(C)NC[C@@H](C)CO 2230a_100000692259_100000059175 [0,2,0,0,0,0|2,0,0]=4 8996 B11R0.107 CC(C)CC(C)NC[C@@H](F)CO 34a_100015665980_100000731052 [0,2,0,0,0,0|2,0,0]=4 8997 B11R0.107 CC(C)CC(C)NC[C@@H](O)CF 2230a_100000692259_100015614560 [0,2,0,0,0,0|2,0,0]=4 8998 B11R0.107 CC(C)CC(C)NC[C@@H](O)CO 2230a_100000692259_100009815848 [0,2,0,0,0,0|1,0,0]=3 8999 B11R0.107 CC(C)CC(C)NC[C@H](O)CO 2230a_100020644852_100000731052 [0,2,0,0,0,0|1,0,0]=3 9000 B11R0.107 CC(C)CC(C)OCC(O)CO 34a_100000211805_100011219619 [0,2,0,0,0,0|1,0,0]=3 9001 B11R0.107 CC(C)CC(C)OCC(O)CO 7a_100000211805_100011219619 [0,2,0,0,0,0|1,0,0]=3 9002 B11R0.107 CC(C)CC(C)OC[C@@H](C)CO 34a_100000211805_100000059175 [0,2,0,0,0,0|2,0,0]=4 9003 B11R0.107 CC(C)CC(C)OC[C@@H](C)CO 7a_100000211805_100000059175 [0,2,0,0,0,0|2,0,0]=4 9004 B11R0.107 CC(C)CC(C)OC[C@@H](O)CF 34a_100000211805_100015614560 [0,2,0,0,0,0|2,0,0]=4 9005 B11R0.107 CC(C)CC(C)OC[C@@H](O)CF 7a_100000211805_100015614560 [0,2,0,0,0,0|2,0,0]=4 9006 B11R0.107 CC(C)CC(C)OC[C@@H](O)CO 34a_100000211805_100009815848 [0,2,0,0,0,0|1,0,0]=3 9007 B11R0.107 CC(C)CC(C)OC[C@@H](O)CO 7a_100000211805_100009815848 [0,2,0,0,0,0|1,0,0]=3 9008 B11R0.107 CC(C)CC(C)SCC(O)CO 62a_100000731052_100011219619 [0,2,0,0,0,0|1,0,0]=3 9009 B11R0.107 CC(C)CC(C)SCC(O)CO 62a_100011219619_100000731052 [0,2,0,0,0,0|1,0,0]=3 9010 B11R0.107 CC(C)CC(C)SC[C@@H](C)CO 62a_100000059175_100000731052 [0,2,0,0,0,0|2,0,0]=4 9011 B11R0.107 CC(C)CC(C)SC[C@@H](C)CO 62a_100000731052_100000059175 [0,2,0,0,0,0|2,0,0]=4 9012 B11R0.107 CC(C)CC(C)SC[C@@H](O)CF 62a_100000731052_100015614560 [0,2,0,0,0,0|2,0,0]=4 9013 B11R0.107 CC(C)CC(C)SC[C@@H](O)CF 62a_100015614560_100000731052 [0,2,0,0,0,0|2,0,0]=4 9014 B11R0.107 CC(C)CC(C)SC[C@@H](O)CO 62a_100000731052_100009815848 [0,2,0,0,0,0|1,0,0]=3 9015 B11R0.107 CC(C)CC(C)SC[C@@H](O)CO 62a_100009815848_100000731052 [0,2,0,0,0,0|1,0,0]=3 9016 B11R0.107 CC(C)C[C@H](N)COC(C)CO 34a_100011830311_100012180447 [0,2,0,0,0,0|2,0,0]=4 9017 B11R0.107 CC(CN(C)C)SCC(O)CO 62a_100011219619_100020606517 [0,2,0,0,0,0|2,0,0]=4 9018 B11R0.107 CC(CN(C)C)SCC(O)CO 62a_100020606517_100011219619 [0,2,0,0,0,0|2,0,0]=4 9019 B11R0.107 CC(CN(C)C)SC[C@@H](O)CO 62a_100009815848_100020606517 [0,2,0,0,0,0|2,0,0]=4 9020 B11R0.107 CC(CN(C)C)SC[C@@H](O)CO 62a_100020606517_100009815848 [0,2,0,0,0,0|2,0,0]=4 9021 B11R0.107 CCC(O)CNC(C)CC(C)C 2230a_100000692259_100011218378 [0,2,0,0,0,0|2,0,0]=4 9022 B11R0.107 CCC(O)CNC(C)CC(C)C 2230a_100011218483_100000731052 [0,2,0,0,0,0|2,0,0]=4 9023 B11R0.107 CCC(O)COC(C)CC(C)C 34a_100000211805_100011218378 [0,2,0,0,0,0|2,0,0]=4 9024 B11R0.107 CCC(O)COC(C)CC(C)C 7a_100000211805_100011218378 [0,2,0,0,0,0|2,0,0]=4 9025 B11R0.107 CCC(O)CSC(C)CC(C)C 62a_100000731052_100011218378 [0,2,0,0,0,0|2,0,0]=4 9026 B11R0.107 CCC(O)CSC(C)CC(C)C 62a_100011218378_100000731052 [0,2,0,0,0,0|2,0,0]=4 9027 B11R0.107 C[C@@H](O)CC(=O)NC[C@H](O)CO 240690a_100020644852_100011933948 [0,2,0,0,0,0|1,0,1]=4 9028 B11R0.109 CC(=O)C(C)COCC(O)CO 34a_100000032740_100011219619 [0,2,0,0,0,0|1,0,1]=4 9029 B11R0.109 CC(=O)C(C)COCC(O)CO 7a_100000032740_100011219619 [0,2,0,0,0,0|1,0,1]=4 9030 B11R0.109 CC(=O)C(C)COC[C@@H](O)CO 34a_100000032740_100009815848 [0,2,0,0,0,0|1,0,1]=4 9031 B11R0.109 CC(=O)C(C)COC[C@@H](O)CO 7a_100000032740_100009815848 [0,2,0,0,0,0|1,0,1]=4 9032 B11R0.109 CC(C)C(=O)CNC[C@H](O)CO 2230a_100020644852_100000753385 [0,2,0,0,0,0|1,0,1]=4 9033 B11R0.109 CC(C)C(=O)CSCC(O)CO 62a_100000753385_100011219619 [0,2,0,0,0,0|1,0,1]=4 9034 B11R0.109 CC(C)C(=O)CSCC(O)CO 62a_100011219619_100000753385 [0,2,0,0,0,0|1,0,1]=4 9035 B11R0.109 CC(C)C(=O)CSC[C@@H](O)CO 62a_100000753385_100009815848 [0,2,0,0,0,0|1,0,1]=4 9036 B11R0.109 CC(C)C(=O)CSC[C@@H](O)CO 62a_100009815848_100000753385 [0,2,0,0,0,0|1,0,1]=4 9037 B11R0.109 CC(C)C(O)CNCC(O)CO 2230a_100000759067_100011219619 [0,2,0,0,0,0|1,0,0]=3 9038 B11R0.109 CC(C)C(O)CNCC(O)CO 34a_100000759067_100011219619 [0,2,0,0,0,0|1,0,0]=3 9039 B11R0.109 CC(C)C(O)CNC[C@@H](C)CO 2230a_100000759067_100000059175 [0,2,0,0,0,0|2,0,0]=4 9040 B11R0.109 CC(C)C(O)CNC[C@@H](C)CO 34a_100000759067_100000059175 [0,2,0,0,0,0|2,0,0]=4 9041 B11R0.109 CC(C)C(O)CNC[C@@H](O)CF 2230a_100000759067_100015614560 [0,2,0,0,0,0|2,0,0]=4 9042 B11R0.109 CC(C)C(O)CNC[C@@H](O)CF 34a_100000759067_100015614560 [0,2,0,0,0,0|2,0,0]=4 9043 B11R0.109 CC(C)C(O)CNC[C@@H](O)CO 2230a_100000759067_100009815848 [0,2,0,0,0,0|1,0,0]=3 9044 B11R0.109 CC(C)C(O)CNC[C@@H](O)CO 34a_100000759067_100009815848 [0,2,0,0,0,0|1,0,0]=3 9045 B11R0.109 CC(C)[C@@H](N)COCC(O)CO 34a_100011830312_100011219619 [0,2,0,0,0,0|1,0,0]=3 9046 B11R0.109 CC(C)[C@@H](N)COC[C@@H](C)CO 34a_100011830312_100000059175 [0,2,0,0,0,0|2,0,0]=4 9047 B11R0.109 CC(C)[C@@H](N)COC[C@@H](O)CF 34a_100011830312_100015614560 [0,2,0,0,0,0|2,0,0]=4 9048 B11R0.109 CC(C)[C@@H](N)COC[C@@H](O)CO 34a_100011830312_100009815848 [0,2,0,0,0,0|1,0,0]=3 9049 B11R0.109 CC(CO)OCCC(N)C(C)C 34a_100161115045_100012180447 [0,2,0,0,0,0|2,0,0]=4 9050 B11R0.109 CCC(C)CNCC(O)C(C)C 2230a_100000759067_100000748023 [0,2,0,0,0,0|2,0,0]=4 9051 B11R0.109 CCC(C)CNCC(O)C(C)C 270004a_100000759067_100000243153 [0,2,0,0,0,0|2,0,0]=4 9052 B11R0.109 CCC(C)CNCC(O)C(C)C 34a_100000759067_100000748023 [0,2,0,0,0,0|2,0,0]=4 9053 B11R0.109 CCC(O)CNCC(O)C(C)C 2230a_100000759067_100011218378 [0,2,0,0,0,0|2,0,0]=4 9054 B11R0.109 CCC(O)CNCC(O)C(C)C 34a_100000759067_100011218378 [0,2,0,0,0,0|2,0,0]=4 9055 B11R0.109 CCC(O)COC[C@H](N)C(C)C 34a_100011830312_100011218378 [0,2,0,0,0,0|2,0,0]=4 9056 B11R0.109 CC[C@H](C)CNCC(O)C(C)C 2230a_100000759067_100009816398 [0,2,0,0,0,0|2,0,0]=4 9057 B11R0.109 CC[C@H](C)CNCC(O)C(C)C 34a_100000759067_100009816398 [0,2,0,0,0,0|2,0,0]=4 9058 B11R0.114 CC(C)(C)CCNCC(O)CO 2230a_100000738805_100011219619 [0,2,0,0,0,0|1,0,0]=3 9059 B11R0.114 CC(C)(C)CCNC[C@@H](F)CO 34a_100015665980_100000755188 [0,2,0,0,0,0|2,0,0]=4 9060 B11R0.114 CC(C)(C)CCNC[C@@H](O)CF 2230a_100000738805_100015614560 [0,2,0,0,0,0|2,0,0]=4 9061 B11R0.114 CC(C)(C)CCNC[C@@H](O)CO 2230a_100000738805_100009815848 [0,2,0,0,0,0|1,0,0]=3 9062 B11R0.114 CC(C)(C)CCNC[C@H](O)CO 2230a_100020644852_100000755188 [0,2,0,0,0,0|1,0,0]=3 9063 B11R0.114 CC(C)(C)CCOCC(O)CO 7a_100000765024_100011219619 [0,2,0,0,0,0|1,0,0]=3 9064 B11R0.114 CC(C)(C)CCOC[C@@H](O)CF 7a_100000765024_100015614560 [0,2,0,0,0,0|2,0,0]=4 9065 B11R0.114 CC(C)(C)CCOC[C@@H](O)CO 7a_100000765024_100009815848 [0,2,0,0,0,0|1,0,0]=3 9066 B11R0.114 CC(C)(C)CCSCC(O)CO 62a_100000755188_100011219619 [0,2,0,0,0,0|1,0,0]=3 9067 B11R0.114 CC(C)(C)CCSCC(O)CO 62a_100011219619_100000755188 [0,2,0,0,0,0|1,0,0]=3 9068 B11R0.114 CC(C)(C)CCSC[C@@H](O)CF 62a_100000755188_100015614560 [0,2,0,0,0,0|2,0,0]=4 9069 B11R0.114 CC(C)(C)CCSC[C@@H](O)CF 62a_100015614560_100000755188 [0,2,0,0,0,0|2,0,0]=4 9070 B11R0.114 CC(C)(C)CCSC[C@@H](O)CO 62a_100000755188_100009815848 [0,2,0,0,0,0|1,0,0]=3 9071 B11R0.114 CC(C)(C)CCSC[C@@H](O)CO 62a_100009815848_100000755188 [0,2,0,0,0,0|1,0,0]=3 9072 B11R0.114 CC(C)(F)CCNCC(O)CO 2230a_100016253952_100011219619 [0,2,0,0,0,0|1,0,0]=3 9073 B11R0.114 CC(C)(F)CCNC[C@@H](O)CF 2230a_100016253952_100015614560 [0,2,0,0,0,0|2,0,0]=4 9074 B11R0.114 CC(C)(F)CCNC[C@@H](O)CO 2230a_100016253952_100009815848 [0,2,0,0,0,0|1,0,0]=3 9075 B11R0.114 CC(C)(O)CCNC[C@@H](F)CO 34a_100015665980_100000702414 [0,2,0,0,0,0|2,0,0]=4 9076 B11R0.114 CC(C)(O)CCNC[C@H](O)CO 2230a_100020644852_100000702414 [0,2,0,0,0,0|1,0,0]=3 9077 B11R0.114 CC(C)(O)CCSCC(O)CO 62a_100000702414_100011219619 [0,2,0,0,0,0|1,0,0]=3 9078 B11R0.114 CC(C)(O)CCSCC(O)CO 62a_100011219619_100000702414 [0,2,0,0,0,0|1,0,0]=3 9079 B11R0.114 CC(C)(O)CCSC[C@@H](O)CF 62a_100000702414_100015614560 [0,2,0,0,0,0|2,0,0]=4 9080 B11R0.114 CC(C)(O)CCSC[C@@H](O)CF 62a_100015614560_100000702414 [0,2,0,0,0,0|2,0,0]=4 9081 B11R0.114 CC(C)(O)CCSC[C@@H](O)CO 62a_100000702414_100009815848 [0,2,0,0,0,0|1,0,0]=3 9082 B11R0.114 CC(C)(O)CCSC[C@@H](O)CO 62a_100009815848_100000702414 [0,2,0,0,0,0|1,0,0]=3 9083 B11R0.114 CC(CO)CCNCC(C)(C)C 270004a_106354213184_100011204126 [0,2,0,0,0,0|2,0,0]=4 9084 B11R0.114 CC(CO)CCNCC(C)(C)C 34a_106354213184_100011219605 [0,2,0,0,0,0|2,0,0]=4 9085 B11R0.114 CC(CO)CCNCC(C)(C)F 34a_106354213184_100011997219 [0,2,0,0,0,0|2,0,0]=4 9086 B11R0.114 CC(CO)CCNCC(C)(C)O 34a_106354213184_100000764493 [0,2,0,0,0,0|2,0,0]=4 9087 B11R0.114 CC(CO)CNCCC(C)(C)C 34a_100000744482_100000755188 [0,2,0,0,0,0|2,0,0]=4 9088 B11R0.114 CC(CO)CNCCC(C)(C)O 34a_100000744482_100000702414 [0,2,0,0,0,0|2,0,0]=4 9089 B11R0.114 CC(CO)SCCCC(C)(C)O 62a_100012180447_100009888830 [0,2,0,0,0,0|2,0,0]=4 9090 B11R0.114 CCC(O)CNCCC(C)(C)C 2230a_100000738805_100011218378 [0,2,0,0,0,0|2,0,0]=4 9091 B11R0.114 CCC(O)CNCCC(C)(C)C 2230a_100011218483_100000755188 [0,2,0,0,0,0|2,0,0]=4 9092 B11R0.114 CCC(O)CNCCC(C)(C)F 2230a_100016253952_100011218378 [0,2,0,0,0,0|2,0,0]=4 9093 B11R0.114 CCC(O)CNCCC(C)(C)O 2230a_100011218483_100000702414 [0,2,0,0,0,0|2,0,0]=4 9094 B11R0.114 CCC(O)COCCC(C)(C)C 7a_100000765024_100011218378 [0,2,0,0,0,0|2,0,0]=4 9095 B11R0.114 CCC(O)CSCCC(C)(C)C 62a_100000755188_100011218378 [0,2,0,0,0,0|2,0,0]=4 9096 B11R0.114 CCC(O)CSCCC(C)(C)C 62a_100011218378_100000755188 [0,2,0,0,0,0|2,0,0]=4 9097 B11R0.114 CCC(O)CSCCC(C)(C)O 62a_100000702414_100011218378 [0,2,0,0,0,0|2,0,0]=4 9098 B11R0.114 CCC(O)CSCCC(C)(C)O 62a_100011218378_100000702414 [0,2,0,0,0,0|2,0,0]=4 9099 B11R0.114 CS(=O)(=O)CCNCC(O)CO 2230a_100000740961_100011219619 [0,2,0,0,0,0|2,0,0]=4 9100 B11R0.114 CS(=O)(=O)CCNCC(O)CO 34a_100000740961_100011219619 [0,2,0,0,0,0|2,0,0]=4 9101 B11R0.114 CS(=O)(=O)CCNC[C@@H](O)CO 2230a_100000740961_100009815848 [0,2,0,0,0,0|2,0,0]=4 9102 B11R0.114 CS(=O)(=O)CCNC[C@@H](O)CO 34a_100000740961_100009815848 [0,2,0,0,0,0|2,0,0]=4 9103 B11R0.114 CS(=O)(=O)CCNC[C@H](O)CO 2230a_100020644852_100000731031 [0,2,0,0,0,0|2,0,0]=4 9104 B11R0.114 CS(=O)(=O)CCOCC(O)CO 34a_100000211924_100011219619 [0,2,0,0,0,0|2,0,0]=4 9105 B11R0.114 CS(=O)(=O)CCOCC(O)CO 7a_100000211924_100011219619 [0,2,0,0,0,0|2,0,0]=4 9106 B11R0.114 CS(=O)(=O)CCOC[C@@H](O)CO 34a_100000211924_100009815848 [0,2,0,0,0,0|2,0,0]=4 9107 B11R0.114 CS(=O)(=O)CCOC[C@@H](O)CO 7a_100000211924_100009815848 [0,2,0,0,0,0|2,0,0]=4 9108 B11R0.114 CS(=O)(=O)CCSCC(O)CO 62a_100000731031_100011219619 [0,2,0,0,0,0|2,0,0]=4 9109 B11R0.114 CS(=O)(=O)CCSCC(O)CO 62a_100011219619_100000230027 [0,2,0,0,0,0|2,0,0]=4 9110 B11R0.114 CS(=O)(=O)CCSC[C@@H](O)CO 62a_100000731031_100009815848 [0,2,0,0,0,0|2,0,0]=4 9111 B11R0.114 CS(=O)(=O)CCSC[C@@H](O)CO 62a_100009815848_100000230027 [0,2,0,0,0,0|2,0,0]=4 9112 B11R0.114 C[C@@H](CO)CNCCC(C)(C)C 2230a_100000738805_100000059175 [0,2,0,0,0,0|2,0,0]=4 9113 B11R0.114 C[C@@H](CO)CNCCC(C)(C)F 2230a_100016253952_100000059175 [0,2,0,0,0,0|2,0,0]=4 9114 B11R0.114 C[C@@H](CO)COCCC(C)(C)C 7a_100000765024_100000059175 [0,2,0,0,0,0|2,0,0]=4 9115 B11R0.114 C[C@@H](CO)CSCCC(C)(C)C 62a_100000059175_100000755188 [0,2,0,0,0,0|2,0,0]=4 9116 B11R0.114 C[C@@H](CO)CSCCC(C)(C)C 62a_100000755188_100000059175 [0,2,0,0,0,0|2,0,0]=4 9117 B11R0.114 C[C@@H](CO)CSCCC(C)(C)O 62a_100000059175_100000702414 [0,2,0,0,0,0|2,0,0]=4 9118 B11R0.114 C[C@@H](CO)CSCCC(C)(C)O 62a_100000702414_100000059175 [0,2,0,0,0,0|2,0,0]=4 9119 B11R0.114 C[C@H](CO)NCCCC(C)(C)O 2230a_100000737577_100009888830 [0,2,0,0,0,0|2,0,0]=4 9120 B11R0.114 C[C@H](CO)SCCCC(C)(C)O 62a_100009888830_100016084084 [0,2,0,0,0,0|2,0,0]=4 9121 B11R0.114 C[C@H](CO)SCCCC(C)(C)O 62a_100016084084_100009888830 [0,2,0,0,0,0|2,0,0]=4 9122 B11R0.114 C[N+](C)(C)CCOCC(O)CO 7a_200020618287_100011219619 [0,2,0,0,0,0|2,0,0]=4 9123 B11R0.114 C[N+](C)(C)CCOC[C@@H](O)CO 7a_200020618287_100009815848 [0,2,0,0,0,0|2,0,0]=4 9124 B11R0.114 C[N+](C)(C)CCSCC(O)CO 62a_100000085578_100011219619 [0,2,0,0,0,0|2,0,0]=4 9125 B11R0.114 C[N+](C)(C)CCSCC(O)CO 62a_100011219619_100000085578 [0,2,0,0,0,0|2,0,0]=4 9126 B11R0.114 C[N+](C)(C)CCSC[C@@H](O)CO 62a_100000085578_100009815848 [0,2,0,0,0,0|2,0,0]=4 9127 B11R0.114 C[N+](C)(C)CCSC[C@@H](O)CO 62a_100009815848_100000085578 [0,2,0,0,0,0|2,0,0]=4 9128 B11R0.114 C[Si](C)(C)CCNC[C@H](O)CO 2230a_100020644852_200000733723 [0,2,0,0,0,0|1,1,0]=4 9129 B11R0.114 C[Si](C)(C)CCOCC(O)CO 7a_100000039746_100011219619 [0,2,0,0,0,0|1,1,0]=4 9130 B11R0.114 C[Si](C)(C)CCOC[C@@H](O)CO 7a_100000039746_100009815848 [0,2,0,0,0,0|1,1,0]=4 9131 B11R0.114 C[Si](C)(C)CCSCC(O)CO 62a_100011219619_200000733723 [0,2,0,0,0,0|1,1,0]=4 9132 B11R0.114 C[Si](C)(C)CCSCC(O)CO 62a_200000733723_100011219619 [0,2,0,0,0,0|1,1,0]=4 9133 B11R0.114 C[Si](C)(C)CCSC[C@@H](O)CO 62a_100009815848_200000733723 [0,2,0,0,0,0|1,1,0]=4 9134 B11R0.114 C[Si](C)(C)CCSC[C@@H](O)CO 62a_200000733723_100009815848 [0,2,0,0,0,0|1,1,0]=4 9135 B11R0.114 OCC(O)CNCCC(F)(F)F 2230a_100000740434_100011219619 [0,2,0,0,0,0|2,0,0]=4 9136 B11R0.114 OCC(O)CNCCC(F)(F)F 34a_100000740434_100011219619 [0,2,0,0,0,0|2,0,0]=4 9137 B11R0.114 OCC(O)COCCC(F)(F)F 34a_100000752437_100011219619 [0,2,0,0,0,0|2,0,0]=4 9138 B11R0.114 OCC(O)CSCCC(F)(F)F 62a_100011219619_100011219754 [0,2,0,0,0,0|2,0,0]=4 9139 B11R0.114 OCC(O)CSCCC(F)(F)F 62a_100011219754_100011219619 [0,2,0,0,0,0|2,0,0]=4 9140 B11R0.114 OC[C@H](O)CNCCC(F)(F)F 2230a_100000740434_100009815848 [0,2,0,0,0,0|2,0,0]=4 9141 B11R0.114 OC[C@H](O)CNCCC(F)(F)F 34a_100000740434_100009815848 [0,2,0,0,0,0|2,0,0]=4 9142 B11R0.114 OC[C@H](O)COCCC(F)(F)F 34a_100000752437_100009815848 [0,2,0,0,0,0|2,0,0]=4 9143 B11R0.114 OC[C@H](O)CSCCC(F)(F)F 62a_100009815848_100011219754 [0,2,0,0,0,0|2,0,0]=4 9144 B11R0.114 OC[C@H](O)CSCCC(F)(F)F 62a_100011219754_100009815848 [0,2,0,0,0,0|2,0,0]=4 9145 B11R0.127 CC(Br)CCOCC(C)(C)CO 34a_100009893172_100009813988 [0,2,0,0,0,0|2,0,0]=4 9146 B11R0.127 CC(C)CCCNC(C)(C)CO 2230a_100000210608_100011214892 [0,2,0,0,0,0|2,0,0]=4 9147 B11R0.127 CC(C)CCCSC(F)(F)CO 62a_100011214892_100011217949 [0,2,0,0,0,0|2,0,0]=4 9148 B11R0.127 CC(C)CCCSC(F)(F)CO 62a_100011217949_100011214892 [0,2,0,0,0,0|2,0,0]=4 9149 B11R0.127 CC(C)CCNCC(C)(C)CO 2230a_100020635058_100000210312 [0,2,0,0,0,0|2,0,0]=4 9150 B11R0.127 CC(C)CCNCC(C)(C)CO 269862a_100020635058_100000185833 [0,2,0,0,0,0|2,0,0]=4 9151 B11R0.127 CC(C)CCOCC(C)(C)CO 34a_100000210254_100009813988 [0,2,0,0,0,0|2,0,0]=4 9152 B11R0.127 CC(C)CCOCC(C)(C)CO 7a_100000210254_100009813988 [0,2,0,0,0,0|2,0,0]=4 9153 B11R0.127 CC(C)CCSCC(C)(C)CO 62a_100000210312_100009813988 [0,2,0,0,0,0|2,0,0]=4 9154 B11R0.127 CC(C)CCSCC(C)(C)CO 62a_100009813988_100000210312 [0,2,0,0,0,0|2,0,0]=4 9155 B11R0.127 CC(C)NCCCC(C)(C)CO 2230a_100000039164_100000210206 [0,2,0,0,0,0|2,0,0]=4 9156 B11R0.127 CC(O)CCCNC(C)(C)CO 2230a_100000210608_200000718107 [0,2,0,0,0,0|2,0,0]=4 9157 B11R0.127 CC(O)CCCSC(F)(F)CO 62a_100011217949_200000718107 [0,2,0,0,0,0|2,0,0]=4 9158 B11R0.127 CC(O)CCCSC(F)(F)CO 62a_200000718107_100011217949 [0,2,0,0,0,0|2,0,0]=4 9159 B11R0.127 CC(O)CCNCC(C)(C)CO 2230a_100020635058_100012276601 [0,2,0,0,0,0|2,0,0]=4 9160 B11R0.127 CC(O)CCSCC(C)(C)CO 62a_100009813988_100012276601 [0,2,0,0,0,0|2,0,0]=4 9161 B11R0.127 CC(O)CCSCC(C)(C)CO 62a_100012276601_100009813988 [0,2,0,0,0,0|2,0,0]=4 9162 B11R0.127 C[C@@H](N)CCOCC(C)(C)CO 34a_100000706166_100009813988 [0,2,0,0,0,0|2,0,0]=4 9163 B11R0.145 CC(=O)CCCC(=O)C(O)CO 1458a_100011215603_100011215641 [0,2,0,0,0,0|0,0,2]=4 9164 B11R0.145 CC(C)CCCC(=O)C(O)CO 1458a_100011215603_100011214892 [0,2,0,0,0,0|0,0,1]=3 9165 B11R0.145 CC(C)CCCN(C)C(C)CO 2230a_100000693034_100011214892 [0,2,0,0,0,0|2,0,0]=4 9166 B11R0.145 CC(C)CCCN(C)C(C)CO 269982a_100000693034_100011214892 [0,2,0,0,0,0|2,0,0]=4 9167 B11R0.145 CC(C)CCNC(=O)C(O)CO 240690a_100000210545_100011215603 [0,2,0,0,0,0|1,0,1]=4 9168 B11R0.145 CC(C)OCCC(=O)C(O)CO 1458a_100011215603_100000211751 [0,2,0,0,0,0|1,0,1]=4 9169 B11R0.145 CC(C)SCCC(=O)C(O)CO 1458a_100011215603_100000730970 [0,2,0,0,0,0|1,0,1]=4 9170 B11R0.145 CC(O)CCCC(=O)C(O)CO 1458a_100011215603_200000718107 [0,2,0,0,0,0|0,0,1]=3 9171 B11R0.145 CC(O)CCCN(C)C(C)CO 2230a_100000693034_200000718107 [0,2,0,0,0,0|2,0,0]=4 9172 B11R0.145 CC(O)CCCN(C)C(C)CO 269982a_100000693034_200000718107 [0,2,0,0,0,0|2,0,0]=4 9173 B11R0.145 CC(O)CCNC(=O)C(O)CO 240690a_200000755665_100011215603 [0,2,0,0,0,0|1,0,1]=4 9174 B11R0.145 CCC(O)C(=O)CCCC(C)C 1458a_100011196387_100011214892 [0,2,0,0,0,0|1,0,1]=4 9175 B11R0.145 CCC(O)C(=O)CCCC(C)O 1458a_100011196387_200000718107 [0,2,0,0,0,0|1,0,1]=4 9176 B11R0.145 CN(C)CCCC(=O)C(O)CO 1458a_100011215603_100000695564 [0,2,0,0,0,0|1,0,1]=4 9177 B11R0.120 CCC(=O)C(C)NC[C@H](O)CO 2230a_100020644852_100000742827 [0,2,0,0,0,0|1,0,1]=4 9178 B11R0.120 CCC(=O)C(C)SCC(O)CO 62a_100000742827_100011219619 [0,2,0,0,0,0|1,0,1]=4 9179 B11R0.120 CCC(=O)C(C)SCC(O)CO 62a_100011219619_100000742827 [0,2,0,0,0,0|1,0,1]=4 9180 B11R0.120 CCC(=O)C(C)SC[C@@H](O)CO 62a_100000742827_100009815848 [0,2,0,0,0,0|1,0,1]=4 9181 B11R0.120 CCC(=O)C(C)SC[C@@H](O)CO 62a_100009815848_100000742827 [0,2,0,0,0,0|1,0,1]=4 9182 B11R0.120 CCC(C)C(=O)NC[C@H](O)CO 240690a_100020644852_100011192722 [0,2,0,0,0,0|1,0,1]=4 9183 B11R0.120 CCC(C)C(=O)NC[C@H](O)CO 527a_100020644852_100011192722 [0,2,0,0,0,0|1,0,1]=4 9184 B11R0.120 CCC(C)C(C)NCC(C)CO 269862a_100000744482_100000210599 [0,2,0,0,0,0|2,0,0]=4 9185 B11R0.120 CCC(C)C(C)NC[C@@H](F)CO 269862a_100015665980_100000210599 [0,2,0,0,0,0|2,0,0]=4 9186 B11R0.120 CCC(C)C(C)NC[C@@H](F)CO 270004a_100015665980_100000210599 [0,2,0,0,0,0|2,0,0]=4 9187 B11R0.120 CCC(C)C(C)NC[C@H](O)CO 269862a_100020644852_100000210599 [0,2,0,0,0,0|1,0,0]=3 9188 B11R0.120 CCC(C)C(C)OCC(O)CO 7a_100011215189_100011219619 [0,2,0,0,0,0|1,0,0]=3 9189 B11R0.120 CCC(C)C(C)OC[C@@H](C)CO 7a_100011215189_100000059175 [0,2,0,0,0,0|2,0,0]=4 9190 B11R0.120 CCC(C)C(C)OC[C@@H](O)CF 7a_100011215189_100015614560 [0,2,0,0,0,0|2,0,0]=4 9191 B11R0.120 CCC(C)C(C)OC[C@@H](O)CO 7a_100011215189_100009815848 [0,2,0,0,0,0|1,0,0]=3 9192 B11R0.120 CCC(C)CNC(=O)C(O)CO 240690a_100020588543_100011215603 [0,2,0,0,0,0|1,0,1]=4 9193 B11R0.120 CCC(O)C(=O)NC[C@H](O)CO 240690a_100020644852_100011196387 [0,2,0,0,0,0|1,0,1]=4 9194 B11R0.120 CCC(O)CNC(=O)C(O)CO 240690a_100011218483_100011215603 [0,2,0,0,0,0|1,0,1]=4 9195 B11R0.120 CCC(O)CNC(C)C(C)CC 269862a_100011218483_100000210599 [0,2,0,0,0,0|2,0,0]=4 9196 B11R0.120 CCC(O)CNC(C)C(C)CC 270004a_100011218483_100000210599 [0,2,0,0,0,0|2,0,0]=4 9197 B11R0.120 CCC(O)COC(C)C(C)CC 7a_100011215189_100011218378 [0,2,0,0,0,0|2,0,0]=4 9198 B11R0.320 CC(C)(CCl)COCC(O)CO 7a_100011217199_100011219619 [0,2,0,0,0,0|2,0,0]=4 9199 B11R0.320 CC(C)(CCl)COC[C@@H](O)CO 7a_100011217199_100009815848 [0,2,0,0,0,0|2,0,0]=4 9200 B11R0.320 CC(C)(CO)CNCC(O)CO 2230a_100020635058_100011219619 [0,2,0,0,0,0|2,0,0]=4 9201 B11R0.320 CC(C)(CO)CNC[C@@H](O)CO 2230a_100020635058_100009815848 [0,2,0,0,0,0|2,0,0]=4 9202 B11R0.320 CC(C)(CO)CSCC(O)CO 62a_100009813988_100011219619 [0,2,0,0,0,0|2,0,0]=4 9203 B11R0.320 CC(C)(CO)CSCC(O)CO 62a_100011219619_100009813988 [0,2,0,0,0,0|2,0,0]=4 9204 B11R0.320 CC(C)(CO)CSC[C@@H](O)CO 62a_100009813988_100009815848 [0,2,0,0,0,0|2,0,0]=4 9205 B11R0.320 CC(C)(CO)CSC[C@@H](O)CO 62a_100009815848_100009813988 [0,2,0,0,0,0|2,0,0]=4 9206 B11R0.320 CCC(C)(C)COCC(O)CO 7a_100000765029_100011219619 [0,2,0,0,0,0|1,0,0]=3 9207 B11R0.320 CCC(C)(C)COC[C@@H](C)CO 7a_100000765029_100000059175 [0,2,0,0,0,0|2,0,0]=4 9208 B11R0.320 CCC(C)(C)COC[C@@H](O)CF 7a_100000765029_100015614560 [0,2,0,0,0,0|2,0,0]=4 9209 B11R0.320 CCC(C)(C)COC[C@@H](O)CO 7a_100000765029_100009815848 [0,2,0,0,0,0|1,0,0]=3 9210 B11R0.320 CCC(C)CNCC(C)(C)CO 2230a_100020635058_100000748023 [0,2,0,0,0,0|2,0,0]=4 9211 B11R0.320 CCC(C)CNCC(C)(C)CO 270004a_100020635058_100000243153 [0,2,0,0,0,0|2,0,0]=4 9212 B11R0.320 CCC(C)CSCC(C)(C)CO 62a_100000748023_100009813988 [0,2,0,0,0,0|2,0,0]=4 9213 B11R0.320 CCC(C)CSCC(C)(C)CO 62a_100009813988_100000748023 [0,2,0,0,0,0|2,0,0]=4 9214 B11R0.320 CCC(O)CNCC(C)(C)CO 2230a_100020635058_100011218378 [0,2,0,0,0,0|2,0,0]=4 9215 B11R0.320 CCC(O)COCC(C)(C)CC 7a_100000765029_100011218378 [0,2,0,0,0,0|2,0,0]=4 9216 B11R0.320 CCC(O)CSCC(C)(C)CO 62a_100009813988_100011218378 [0,2,0,0,0,0|2,0,0]=4 9217 B11R0.320 CCC(O)CSCC(C)(C)CO 62a_100011218378_100009813988 [0,2,0,0,0,0|2,0,0]=4 9218 B11R0.320 CC[C@H](C)CNCC(C)(C)CO 2230a_100020635058_100009816398 [0,2,0,0,0,0|2,0,0]=4 9219 B11R0.320 CC[C@H](C)COCC(C)(C)CO 7a_100009816381_100009813988 [0,2,0,0,0,0|2,0,0]=4 9220 B11R0.320 CC[C@H](C)CSCC(C)(C)CO 62a_100009813988_100009816398 [0,2,0,0,0,0|2,0,0]=4 9221 B11R0.320 CC[C@H](C)CSCC(C)(C)CO 62a_100009816398_100009813988 [0,2,0,0,0,0|2,0,0]=4 9222 B11R0.320 COC(C)(C)CNCC(O)CO 2230a_100000763424_100011219619 [0,2,0,0,0,0|2,0,0]=4 9223 B11R0.320 COC(C)(C)CNC[C@@H](O)CO 2230a_100000763424_100009815848 [0,2,0,0,0,0|2,0,0]=4 9224 B11R0.320 COC(C)(C)CSCC(O)CO 62a_100000701081_100011219619 [0,2,0,0,0,0|2,0,0]=4 9225 B11R0.320 COC(C)(C)CSCC(O)CO 62a_100011219619_100000701081 [0,2,0,0,0,0|2,0,0]=4 9226 B11R0.320 COC(C)(C)CSC[C@@H](O)CO 62a_100000701081_100009815848 [0,2,0,0,0,0|2,0,0]=4 9227 B11R0.320 COC(C)(C)CSC[C@@H](O)CO 62a_100009815848_100000701081 [0,2,0,0,0,0|2,0,0]=4 9228 B11R0.320 NCC(F)(F)COCC(O)CO 34a_100000703232_100011219619 [0,2,0,0,0,0|2,0,0]=4 9229 B11R0.320 NCC(F)(F)COC[C@@H](O)CO 34a_100000703232_100009815848 [0,2,0,0,0,0|2,0,0]=4 9230 B11R0.49 CC(C)(CO)CCCNCCF 2230a_100000039164_100011217306 [0,2,0,0,0,0|2,0,0]=4 9231 B11R0.49 CC(C)(CO)CCCNCCO 2230a_100000039164_100000211926 [0,2,0,0,0,0|2,0,0]=4 9232 B11R0.49 CC(C)(CO)CNCCCCF 2230a_100020635058_100000729493 [0,2,0,0,0,0|2,0,0]=4 9233 B11R0.49 CC(C)(CO)CNCCCCO 2230a_100020635058_100000210776 [0,2,0,0,0,0|2,0,0]=4 9234 B11R0.49 CC(C)(CO)CNCCCCO 34a_100000750430_100009813988 [0,2,0,0,0,0|2,0,0]=4 9235 B11R0.49 CC(C)(CO)COCCCCBr 34a_100011216708_100009813988 [0,2,0,0,0,0|2,0,0]=4 9236 B11R0.49 CC(C)(CO)COCCCCCl 34a_100000210776_100009813988 [0,2,0,0,0,0|2,0,0]=4 9237 B11R0.49 CC(C)(CO)COCCCCCl 7a_100000210776_100009813988 [0,2,0,0,0,0|2,0,0]=4 9238 B11R0.49 CC(C)(CO)COCCCCF 34a_100011995726_100009813988 [0,2,0,0,0,0|2,0,0]=4 9239 B11R0.49 CC(C)(CO)COCCCCF 7a_100011995726_100009813988 [0,2,0,0,0,0|2,0,0]=4 9240 B11R0.49 CC(C)(CO)COCCCCI 34a_200012148704_100009813988 [0,2,0,0,0,0|2,0,0]=4 9241 B11R0.49 CC(C)(CO)COCCCCN 34a_100000750430_100009813988 [0,2,0,0,0,0|2,0,0]=4 9242 B11R0.49 CC(C)(CO)CSCCCCF 62a_100000729493_100009813988 [0,2,0,0,0,0|2,0,0]=4 9243 B11R0.49 CC(C)(CO)CSCCCCF 62a_100009813988_100000729493 [0,2,0,0,0,0|2,0,0]=4 9244 B11R0.49 CC(C)(CO)CSCCCCO 62a_100000210776_100009813988 [0,2,0,0,0,0|2,0,0]=4 9245 B11R0.49 CC(C)(CO)CSCCCCO 62a_100009813988_100000210776 [0,2,0,0,0,0|2,0,0]=4 9246 B11R0.49 CC(C)(CO)NCCCCCF 2230a_100000210608_100000729378 [0,2,0,0,0,0|2,0,0]=4 9247 B11R0.49 CC(C)(CO)NCCCCCO 2230a_100000210608_100000746330 [0,2,0,0,0,0|2,0,0]=4 9248 B11R0.49 CCCCCCNC(C)(C)CC 2230a_100000211385_100000210314 [0,2,0,0,0,0|2,0,0]=4 9249 B11R0.49 CCCCCCNC(C)(C)CO 2230a_100000210608_100000210314 [0,2,0,0,0,0|1,0,0]=3 9250 B11R0.49 CCCCCCOC(C)(C)CC 7a_100000210230_100000210314 [0,2,0,0,0,0|2,0,0]=4 9251 B11R0.49 CCCCCCOC(C)(C)CC 7a_100000210259_100000210677 [0,2,0,0,0,0|2,0,0]=4 9252 B11R0.49 CCCCCCOC(C)(C)CCl 7a_100000764493_100000210314 [0,2,0,0,0,0|2,0,0]=4 9253 B11R0.49 CCCCCCSC(C)(C)CC 62a_100000032637_100000210757 [0,2,0,0,0,0|2,0,0]=4 9254 B11R0.49 CCCCCCSC(C)(C)CC 62a_100000210314_100000032637 [0,2,0,0,0,0|2,0,0]=4 9255 B11R0.49 CCCCCCSC(F)(F)CO 62a_100000210314_100011217949 [0,2,0,0,0,0|1,0,0]=3 9256 B11R0.49 CCCCCCSC(F)(F)CO 62a_100011217949_100000210757 [0,2,0,0,0,0|1,0,0]=3 9257 B11R0.49 CCCCCNCC(C)(C)CO 2230a_100020635058_100000210326 [0,2,0,0,0,0|1,0,0]=3 9258 B11R0.49 CCCCCOCC(C)(C)CC 7a_100000765029_100000210326 [0,2,0,0,0,0|2,0,0]=4 9259 B11R0.49 CCCCCOCC(C)(C)CCl 7a_100011217199_100000210326 [0,2,0,0,0,0|2,0,0]=4 9260 B11R0.49 CCCCCOCC(C)(C)CO 34a_100000210253_100009813988 [0,2,0,0,0,0|1,0,0]=3 9261 B11R0.49 CCCCCOCC(C)(C)CO 7a_100000210253_100009813988 [0,2,0,0,0,0|1,0,0]=3 9262 B11R0.49 CCCCCOCC(F)(F)CN 34a_100000703232_100000718602 [0,2,0,0,0,0|2,0,0]=4 9263 B11R0.49 CCCCCSCC(C)(C)CO 62a_100000210326_100009813988 [0,2,0,0,0,0|1,0,0]=3 9264 B11R0.49 CCCCCSCC(C)(C)CO 62a_100009813988_100000210326 [0,2,0,0,0,0|1,0,0]=3 9265 B11R0.49 CCCCOCNC(C)(C)CO 2230a_100000210608_100011995733 [0,2,0,0,0,0|2,0,0]=4 9266 B11R0.49 CCCCOCSC(F)(F)CO 62a_100011217949_100011995733 [0,2,0,0,0,0|2,0,0]=4 9267 B11R0.49 CCCCOCSC(F)(F)CO 62a_100011995733_100011217949 [0,2,0,0,0,0|2,0,0]=4 9268 B11R0.49 CCCNCCCC(C)(C)CO 2230a_100000039164_100000210303 [0,2,0,0,0,0|1,0,0]=3 9269 B11R0.49 CCCOCCNC(C)(C)CO 2230a_100000210608_100011215938 [0,2,0,0,0,0|2,0,0]=4 9270 B11R0.49 CCCOCCSC(F)(F)CO 62a_100011215938_100011217949 [0,2,0,0,0,0|2,0,0]=4 9271 B11R0.49 CCCOCCSC(F)(F)CO 62a_100011217949_100011215938 [0,2,0,0,0,0|2,0,0]=4 9272 B11R0.49 CCOCCCNC(C)(C)CO 2230a_100000210608_100012232248 [0,2,0,0,0,0|2,0,0]=4 9273 B11R0.49 CCOCCCSC(F)(F)CO 62a_100011217949_100012232248 [0,2,0,0,0,0|2,0,0]=4 9274 B11R0.49 CCOCCCSC(F)(F)CO 62a_100012232248_100011217949 [0,2,0,0,0,0|2,0,0]=4 9275 B11R0.49 CCOCCNCC(C)(C)CO 2230a_100020635058_100011215890 [0,2,0,0,0,0|2,0,0]=4 9276 B11R0.49 CCOCCNCC(C)(C)CO 34a_102516460346_100009813988 [0,2,0,0,0,0|2,0,0]=4 9277 B11R0.49 CCOCCOCC(C)(C)CO 34a_100000210136_100009813988 [0,2,0,0,0,0|2,0,0]=4 9278 B11R0.49 CCOCCOCC(C)(C)CO 7a_100000210136_100009813988 [0,2,0,0,0,0|2,0,0]=4 9279 B11R0.49 CCOCCSCC(C)(C)CO 62a_100000210147_100009813988 [0,2,0,0,0,0|2,0,0]=4 9280 B11R0.49 CCOCCSCC(C)(C)CO 62a_100009813988_100011215890 [0,2,0,0,0,0|2,0,0]=4 9281 B11R0.49 CCSCCNCC(C)(C)CO 2230a_100020635058_100000757381 [0,2,0,0,0,0|2,0,0]=4 9282 B11R0.49 CCSCCOCC(C)(C)CO 34a_100000212035_100009813988 [0,2,0,0,0,0|2,0,0]=4 9283 B11R0.49 CCSCCOCC(C)(C)CO 7a_100000212035_100009813988 [0,2,0,0,0,0|2,0,0]=4 9284 B11R0.49 CCSCCSCC(C)(C)CO 62a_100000757381_100009813988 [0,2,0,0,0,0|2,0,0]=4 9285 B11R0.49 CCSCCSCC(C)(C)CO 62a_100009813988_100000757381 [0,2,0,0,0,0|2,0,0]=4 9286 B11R0.49 CNCCCOCC(C)(C)CO 34a_100000213112_100009813988 [0,2,0,0,0,0|2,0,0]=4 9287 B11R0.49 COCCCCNC(C)(C)CO 2230a_100000210608_100000730899 [0,2,0,0,0,0|2,0,0]=4 9288 B11R0.49 COCCCCSC(F)(F)CO 62a_100000730899_100011217949 [0,2,0,0,0,0|2,0,0]=4 9289 B11R0.49 COCCCCSC(F)(F)CO 62a_100011217949_100000730899 [0,2,0,0,0,0|2,0,0]=4 9290 B11R0.49 COCCCNCC(C)(C)CO 2230a_100020635058_100000740836 [0,2,0,0,0,0|2,0,0]=4 9291 B11R0.49 COCCCNCC(C)(C)CO 34a_100150723488_100009813988 [0,2,0,0,0,0|2,0,0]=4 9292 B11R0.49 COCCCOCC(C)(C)CO 34a_100000740835_100009813988 [0,2,0,0,0,0|2,0,0]=4 9293 B11R0.49 COCCCSCC(C)(C)CO 62a_100000709357_100009813988 [0,2,0,0,0,0|2,0,0]=4 9294 B11R0.49 COCCCSCC(C)(C)CO 62a_100009813988_100000709357 [0,2,0,0,0,0|2,0,0]=4 9295 B11R0.49 COCNCCCC(C)(C)CO 2230a_100000039164_100000766300 [0,2,0,0,0,0|2,0,0]=4 9296 B11R0.49 CSCCCOCC(C)(C)CO 34a_100000690336_100009813988 [0,2,0,0,0,0|2,0,0]=4 9297 B11R0.49 CSCCCOCC(C)(C)CO 7a_100000690336_100009813988 [0,2,0,0,0,0|2,0,0]=4 9298 B11R0.49 CSCNCCCC(C)(C)CO 2230a_100000039164_100011218213 [0,2,0,0,0,0|2,0,0]=4 9299 B11R0.49 OCC(F)(F)SCCCCCF 62a_100000729378_100011217949 [0,2,0,0,0,0|2,0,0]=4 9300 B11R0.49 OCC(F)(F)SCCCCCF 62a_100011217949_100000729378 [0,2,0,0,0,0|2,0,0]=4 9301 B11R0.49 OCCCCCSC(F)(F)CO 62a_100000746330_100011217949 [0,2,0,0,0,0|2,0,0]=4 9302 B11R0.49 OCCCCCSC(F)(F)CO 62a_100011217949_100000746330 [0,2,0,0,0,0|2,0,0]=4 9303 B11R0.87 CCCCCC(=O)C(C)(C)CO 1458a_100000749806_100000210326 [0,2,0,0,0,0|1,0,1]=4 9304 B11R0.87 CCCCCC(=O)C(C)(O)CC 1458a_100011219770_100000210326 [0,2,0,0,0,0|1,0,1]=4 9305 B11R0.87 CCCCCN(C)C(C)(C)CO 269982a_100015204102_100000210215 [0,2,0,0,0,0|2,0,0]=4 9306 B11R0.170 CCCC(C)CNC(C)(C)CO 2230a_100000210608_100011216630 [0,2,0,0,0,0|2,0,0]=4 9307 B11R0.170 CCCC(C)CNC(C)(C)CO 270004a_100000210608_100000243154 [0,2,0,0,0,0|2,0,0]=4 9308 B11R0.170 CCCC(C)CSC(F)(F)CO 62a_100011216630_100011217949 [0,2,0,0,0,0|2,0,0]=4 9309 B11R0.170 CCCC(C)CSC(F)(F)CO 62a_100011217949_100011216630 [0,2,0,0,0,0|2,0,0]=4 9310 B11R0.170 CCCC(C)NCC(C)(C)CO 2230a_100020635058_100000766640 [0,2,0,0,0,0|2,0,0]=4 9311 B11R0.170 CCCC(C)NCC(C)(C)CO 270004a_100020635058_100000211909 [0,2,0,0,0,0|2,0,0]=4 9312 B11R0.170 CCCC(C)OCC(C)(C)CO 34a_100000764384_100009813988 [0,2,0,0,0,0|2,0,0]=4 9313 B11R0.170 CCCC(C)OCC(C)(C)CO 7a_100000764384_100009813988 [0,2,0,0,0,0|2,0,0]=4 9314 B11R0.170 CCCC(C)SCC(C)(C)CO 62a_100000766640_100009813988 [0,2,0,0,0,0|2,0,0]=4 9315 B11R0.170 CCCC(C)SCC(C)(C)CO 62a_100009813988_100000766640 [0,2,0,0,0,0|2,0,0]=4 9316 B11R0.40 C#CC(O)CCCCCNCC 2230a_100015525214_200010408556 [0,2,0,0,0,0|1,0,1]=4 9317 B11R0.40 C#CC(O)CCCCCOCC 34a_100121572206_200010408556 [0,2,0,0,0,0|1,0,1]=4 9318 B11R0.40 C#CC(O)CCCCCSCC 62a_100000210202_200010408556 [0,2,0,0,0,0|1,0,1]=4 9319 B11R0.40 C#CC(O)CCCCCSCC 62a_200010408556_100000210202 [0,2,0,0,0,0|1,0,1]=4 9320 B11R0.40 C#CC(O)CCCCCSCF 62a_100015361967_200010408556 [0,2,0,0,0,0|1,0,1]=4 9321 B11R0.40 C#CC(O)CCCCCSCF 62a_200010408556_100015361967 [0,2,0,0,0,0|1,0,1]=4 9322 B11R0.40 C#CCCCCCCC(=O)CO 1458a_100000210174_100012276617 [0,2,0,0,0,0|0,0,2]=4 9323 B11R0.40 C#CCCCCCN[C@H](C)CO 2230a_100000737577_100012094781 [0,2,0,0,0,0|1,0,1]=4 9324 B11R0.40 C#CCCCCCOC(C)CO 34a_100000766912_100012180447 [0,2,0,0,0,0|1,0,1]=4 9325 B11R0.40 C#CCCCCCOC(C)CO 7a_100000766912_100012180447 [0,2,0,0,0,0|1,0,1]=4 9326 B11R0.40 C#CCCCCCSC(C)CO 62a_100012180447_100012094781 [0,2,0,0,0,0|1,0,1]=4 9327 B11R0.40 C#CCCCCCS[C@H](C)CO 62a_100012094781_100016084084 [0,2,0,0,0,0|1,0,1]=4 9328 B11R0.40 C#CCCCCCS[C@H](C)CO 62a_100016084084_100012094781 [0,2,0,0,0,0|1,0,1]=4 9329 B11R0.40 C#CCCCCNCC(C)CO 34a_100000744482_100010269958 [0,2,0,0,0,0|1,0,1]=4 9330 B11R0.40 C#CCCCCNCC(O)CC 2230a_100000706060_100011218378 [0,2,0,0,0,0|1,0,1]=4 9331 B11R0.40 C#CCCCCNCC(O)CC 2230a_100011218483_100010269958 [0,2,0,0,0,0|1,0,1]=4 9332 B11R0.40 C#CCCCCNCC(O)CC 34a_100000706060_100011218378 [0,2,0,0,0,0|1,0,1]=4 9333 B11R0.40 C#CCCCCNCC(O)CO 2230a_100000706060_100011219619 [0,2,0,0,0,0|0,0,1]=3 9334 B11R0.40 C#CCCCCNCC(O)CO 34a_100000706060_100011219619 [0,2,0,0,0,0|0,0,1]=3 9335 B11R0.40 C#CCCCCNC[C@@H](C)CO 2230a_100000706060_100000059175 [0,2,0,0,0,0|1,0,1]=4 9336 B11R0.40 C#CCCCCNC[C@@H](C)CO 34a_100000706060_100000059175 [0,2,0,0,0,0|1,0,1]=4 9337 B11R0.40 C#CCCCCNC[C@@H](F)CO 34a_100015665980_100010269958 [0,2,0,0,0,0|1,0,1]=4 9338 B11R0.40 C#CCCCCNC[C@@H](O)CF 2230a_100000706060_100015614560 [0,2,0,0,0,0|1,0,1]=4 9339 B11R0.40 C#CCCCCNC[C@@H](O)CF 34a_100000706060_100015614560 [0,2,0,0,0,0|1,0,1]=4 9340 B11R0.40 C#CCCCCNC[C@@H](O)CO 2230a_100000706060_100009815848 [0,2,0,0,0,0|0,0,1]=3 9341 B11R0.40 C#CCCCCNC[C@@H](O)CO 34a_100000706060_100009815848 [0,2,0,0,0,0|0,0,1]=3 9342 B11R0.40 C#CCCCCNC[C@H](O)CO 2230a_100020644852_100010269958 [0,2,0,0,0,0|0,0,1]=3 9343 B11R0.40 C#CCCCCOCC(O)CC 34a_100000766709_100011218378 [0,2,0,0,0,0|1,0,1]=4 9344 B11R0.40 C#CCCCCOCC(O)CC 7a_100000766709_100011218378 [0,2,0,0,0,0|1,0,1]=4 9345 B11R0.40 C#CCCCCOCC(O)CO 34a_100000766709_100011219619 [0,2,0,0,0,0|0,0,1]=3 9346 B11R0.40 C#CCCCCOCC(O)CO 7a_100000766709_100011219619 [0,2,0,0,0,0|0,0,1]=3 9347 B11R0.40 C#CCCCCOC[C@@H](C)CO 34a_100000766709_100000059175 [0,2,0,0,0,0|1,0,1]=4 9348 B11R0.40 C#CCCCCOC[C@@H](C)CO 7a_100000766709_100000059175 [0,2,0,0,0,0|1,0,1]=4 9349 B11R0.40 C#CCCCCOC[C@@H](O)CF 34a_100000766709_100015614560 [0,2,0,0,0,0|1,0,1]=4 9350 B11R0.40 C#CCCCCOC[C@@H](O)CF 7a_100000766709_100015614560 [0,2,0,0,0,0|1,0,1]=4 9351 B11R0.40 C#CCCCCOC[C@@H](O)CO 34a_100000766709_100009815848 [0,2,0,0,0,0|0,0,1]=3 9352 B11R0.40 C#CCCCCOC[C@@H](O)CO 7a_100000766709_100009815848 [0,2,0,0,0,0|0,0,1]=3 9353 B11R0.40 C#CCCCCSCC(O)CC 62a_100010269958_100011218378 [0,2,0,0,0,0|1,0,1]=4 9354 B11R0.40 C#CCCCCSCC(O)CC 62a_100011218378_100010269958 [0,2,0,0,0,0|1,0,1]=4 9355 B11R0.40 C#CCCCCSCC(O)CO 62a_100010269958_100011219619 [0,2,0,0,0,0|0,0,1]=3 9356 B11R0.40 C#CCCCCSCC(O)CO 62a_100011219619_100010269958 [0,2,0,0,0,0|0,0,1]=3 9357 B11R0.40 C#CCCCCSC[C@@H](C)CO 62a_100000059175_100010269958 [0,2,0,0,0,0|1,0,1]=4 9358 B11R0.40 C#CCCCCSC[C@@H](C)CO 62a_100010269958_100000059175 [0,2,0,0,0,0|1,0,1]=4 9359 B11R0.40 C#CCCCCSC[C@@H](O)CF 62a_100010269958_100015614560 [0,2,0,0,0,0|1,0,1]=4 9360 B11R0.40 C#CCCCCSC[C@@H](O)CF 62a_100015614560_100010269958 [0,2,0,0,0,0|1,0,1]=4 9361 B11R0.40 C#CCCCCSC[C@@H](O)CO 62a_100009815848_100010269958 [0,2,0,0,0,0|0,0,1]=3 9362 B11R0.40 C#CCCCCSC[C@@H](O)CO 62a_100010269958_100009815848 [0,2,0,0,0,0|0,0,1]=3 9363 B11R0.40 C#CCCCNCCC(C)CO 2230a_106354213184_100000731252 [0,2,0,0,0,0|1,0,1]=4 9364 B11R0.40 C#CCCCNCCC(C)CO 34a_106354213184_100000695029 [0,2,0,0,0,0|1,0,1]=4 9365 B11R0.40 C#CCOCCNCC(O)CO 2230a_100000700922_100011219619 [0,2,0,0,0,0|0,0,2]=4 9366 B11R0.40 C#CCOCCNCC(O)CO 34a_100000700922_100011219619 [0,2,0,0,0,0|0,0,2]=4 9367 B11R0.40 C#CCOCCNC[C@@H](O)CO 2230a_100000700922_100009815848 [0,2,0,0,0,0|0,0,2]=4 9368 B11R0.40 C#CCOCCNC[C@@H](O)CO 34a_100000700922_100009815848 [0,2,0,0,0,0|0,0,2]=4 9369 B11R0.40 C#CCOCCNC[C@H](O)CO 2230a_100020644852_100010402529 [0,2,0,0,0,0|0,0,2]=4 9370 B11R0.40 C#CCOCCOCC(O)CO 34a_100000054580_100011219619 [0,2,0,0,0,0|0,0,2]=4 9371 B11R0.40 C#CCOCCOCC(O)CO 7a_100000054580_100011219619 [0,2,0,0,0,0|0,0,2]=4 9372 B11R0.40 C#CCOCCOC[C@@H](O)CO 34a_100000054580_100009815848 [0,2,0,0,0,0|0,0,2]=4 9373 B11R0.40 C#CCOCCOC[C@@H](O)CO 7a_100000054580_100009815848 [0,2,0,0,0,0|0,0,2]=4 9374 B11R0.40 C#CCOCCSCC(O)CO 62a_100010402529_100011219619 [0,2,0,0,0,0|0,0,2]=4 9375 B11R0.40 C#CCOCCSCC(O)CO 62a_100011219619_100010402529 [0,2,0,0,0,0|0,0,2]=4 9376 B11R0.40 C#CCOCCSC[C@@H](O)CO 62a_100009815848_100010402529 [0,2,0,0,0,0|0,0,2]=4 9377 B11R0.40 C#CCOCCSC[C@@H](O)CO 62a_100010402529_100009815848 [0,2,0,0,0,0|0,0,2]=4 9378 B11R0.40 C=CC(O)CNCCCCCC 2230a_100000210581_100000730141 [0,2,0,0,0,0|1,0,1]=4 9379 B11R0.40 C=CC(O)CNCCCCCO 2230a_100000762737_100000730141 [0,2,0,0,0,0|1,0,1]=4 9380 B11R0.40 C=CC(O)CNCCCCCO 34a_100000762737_100000730141 [0,2,0,0,0,0|1,0,1]=4 9381 B11R0.40 C=CC(O)CNCCCOCC 2230a_100000210961_100000730141 [0,2,0,0,0,0|1,0,1]=4 9382 B11R0.40 C=CC(O)CNCCCOCC 34a_100000210961_100000730141 [0,2,0,0,0,0|1,0,1]=4 9383 B11R0.40 C=CC(O)CNCCOCCC 2230a_100161115042_100000730141 [0,2,0,0,0,0|1,0,1]=4 9384 B11R0.40 C=CC(O)CNCCOCCC 34a_100161115042_100000730141 [0,2,0,0,0,0|1,0,1]=4 9385 B11R0.40 C=CC(O)CNCCSCCC 2230a_100020603323_100000730141 [0,2,0,0,0,0|1,0,1]=4 9386 B11R0.40 C=CC(O)COCCCCCBr 34a_100000746331_100000730141 [0,2,0,0,0,0|1,0,1]=4 9387 B11R0.40 C=CC(O)COCCCCCBr 7a_100000746331_100000730141 [0,2,0,0,0,0|1,0,1]=4 9388 B11R0.40 C=CC(O)COCCCCCC 34a_100000210259_100000730141 [0,2,0,0,0,0|1,0,1]=4 9389 B11R0.40 C=CC(O)COCCCCCC 7a_100000210259_100000730141 [0,2,0,0,0,0|1,0,1]=4 9390 B11R0.40 C=CC(O)COCCCCCCl 34a_100000746330_100000730141 [0,2,0,0,0,0|1,0,1]=4 9391 B11R0.40 C=CC(O)COCCCCCCl 7a_100000746330_100000730141 [0,2,0,0,0,0|1,0,1]=4 9392 B11R0.40 C=CC(O)COCCCCCI 34a_200012148887_100000730141 [0,2,0,0,0,0|1,0,1]=4 9393 B11R0.40 C=CC(O)COCCCCCI 7a_200012148887_100000730141 [0,2,0,0,0,0|1,0,1]=4 9394 B11R0.40 C=CC(O)COCCCCCN 34a_100000762737_100000730141 [0,2,0,0,0,0|1,0,1]=4 9395 B11R0.40 C=CC(O)COCCCCOC 34a_100000740925_100000730141 [0,2,0,0,0,0|1,0,1]=4 9396 B11R0.40 C=CC(O)COCCCCSC 34a_100011217163_100000730141 [0,2,0,0,0,0|1,0,1]=4 9397 B11R0.40 C=CC(O)COCCCCSC 7a_100011217163_100000730141 [0,2,0,0,0,0|1,0,1]=4 9398 B11R0.40 C=CC(O)COCCCOCC 34a_100000757476_100000730141 [0,2,0,0,0,0|1,0,1]=4 9399 B11R0.40 C=CC(O)COCCCOCC 7a_100000757476_100000730141 [0,2,0,0,0,0|1,0,1]=4 9400 B11R0.40 C=CC(O)COCCCSCC 34a_100011216438_100000730141 [0,2,0,0,0,0|1,0,1]=4 9401 B11R0.40 C=CC(O)COCCCSCC 7a_100011216438_100000730141 [0,2,0,0,0,0|1,0,1]=4 9402 B11R0.40 C=CC(O)COCCOCCC 34a_100000752267_100000730141 [0,2,0,0,0,0|1,0,1]=4 9403 B11R0.40 C=CC(O)COCCOCCC 7a_100000752267_100000730141 [0,2,0,0,0,0|1,0,1]=4 9404 B11R0.40 C=CC(O)COCCSCCC 34a_200000230433_100000730141 [0,2,0,0,0,0|1,0,1]=4 9405 B11R0.40 C=CC(O)COCCSCCC 7a_200000230433_100000730141 [0,2,0,0,0,0|1,0,1]=4 9406 B11R0.40 C=CC(O)CSCCCCCC 62a_100000210314_100000730141 [0,2,0,0,0,0|1,0,1]=4 9407 B11R0.40 C=CC(O)CSCCCCCC 62a_100000730141_100000210757 [0,2,0,0,0,0|1,0,1]=4 9408 B11R0.40 C=CC(O)CSCCCCCF 62a_100000729378_100000730141 [0,2,0,0,0,0|1,0,1]=4 9409 B11R0.40 C=CC(O)CSCCCCCF 62a_100000730141_100000729378 [0,2,0,0,0,0|1,0,1]=4 9410 B11R0.40 C=CC(O)CSCCCCCO 62a_100000730141_100000746330 [0,2,0,0,0,0|1,0,1]=4 9411 B11R0.40 C=CC(O)CSCCCCCO 62a_100000746330_100000730141 [0,2,0,0,0,0|1,0,1]=4 9412 B11R0.40 C=CC(O)CSCCCCOC 62a_100000730141_100000730899 [0,2,0,0,0,0|1,0,1]=4 9413 B11R0.40 C=CC(O)CSCCCCOC 62a_100000730899_100000730141 [0,2,0,0,0,0|1,0,1]=4 9414 B11R0.40 C=CC(O)CSCCCOCC 62a_100000730141_100012232248 [0,2,0,0,0,0|1,0,1]=4 9415 B11R0.40 C=CC(O)CSCCCOCC 62a_100012232248_100000730141 [0,2,0,0,0,0|1,0,1]=4 9416 B11R0.40 C=CC(O)CSCCOCCC 62a_100000730141_100011215938 [0,2,0,0,0,0|1,0,1]=4 9417 B11R0.40 C=CC(O)CSCCOCCC 62a_100011215938_100000730141 [0,2,0,0,0,0|1,0,1]=4 9418 B11R0.40 C=CC(O)CSCOCCCC 62a_100000730141_100011995733 [0,2,0,0,0,0|1,0,1]=4 9419 B11R0.40 C=CC(O)CSCOCCCC 62a_100011995733_100000730141 [0,2,0,0,0,0|1,0,1]=4 9420 B11R0.40 C=CCCCCCCC(=O)CO 1458a_100000210174_100011215473 [0,2,0,0,0,0|0,0,2]=4 9421 B11R0.40 C=CCCCCCN[C@H](C)CO 2230a_100000737577_100000700193 [0,2,0,0,0,0|1,0,1]=4 9422 B11R0.40 C=CCCCCCOC(C)CO 34a_100011216702_100012180447 [0,2,0,0,0,0|1,0,1]=4 9423 B11R0.40 C=CCCCCCOC(C)CO 7a_100011216702_100012180447 [0,2,0,0,0,0|1,0,1]=4 9424 B11R0.40 C=CCCCCCSC(C)CO 62a_100012180447_100000700193 [0,2,0,0,0,0|1,0,1]=4 9425 B11R0.40 C=CCCCCCS[C@H](C)CO 62a_100000700193_100016084084 [0,2,0,0,0,0|1,0,1]=4 9426 B11R0.40 C=CCCCCCS[C@H](C)CO 62a_100016084084_100000700193 [0,2,0,0,0,0|1,0,1]=4 9427 B11R0.40 C=CCCCCNCC(C)CO 34a_100000744482_100011215482 [0,2,0,0,0,0|1,0,1]=4 9428 B11R0.40 C=CCCCCNCC(O)CC 2230a_100000703577_100011218378 [0,2,0,0,0,0|1,0,1]=4 9429 B11R0.40 C=CCCCCNCC(O)CC 2230a_100011218483_100011215482 [0,2,0,0,0,0|1,0,1]=4 9430 B11R0.40 C=CCCCCNCC(O)CC 34a_100000703577_100011218378 [0,2,0,0,0,0|1,0,1]=4 9431 B11R0.40 C=CCCCCNCC(O)CO 2230a_100000703577_100011219619 [0,2,0,0,0,0|0,0,1]=3 9432 B11R0.40 C=CCCCCNCC(O)CO 34a_100000703577_100011219619 [0,2,0,0,0,0|0,0,1]=3 9433 B11R0.40 C=CCCCCNC[C@@H](C)CO 2230a_100000703577_100000059175 [0,2,0,0,0,0|1,0,1]=4 9434 B11R0.40 C=CCCCCNC[C@@H](C)CO 34a_100000703577_100000059175 [0,2,0,0,0,0|1,0,1]=4 9435 B11R0.40 C=CCCCCNC[C@@H](F)CO 34a_100015665980_100011215482 [0,2,0,0,0,0|1,0,1]=4 9436 B11R0.40 C=CCCCCNC[C@@H](O)CF 2230a_100000703577_100015614560 [0,2,0,0,0,0|1,0,1]=4 9437 B11R0.40 C=CCCCCNC[C@@H](O)CF 34a_100000703577_100015614560 [0,2,0,0,0,0|1,0,1]=4 9438 B11R0.40 C=CCCCCNC[C@@H](O)CO 2230a_100000703577_100009815848 [0,2,0,0,0,0|0,0,1]=3 9439 B11R0.40 C=CCCCCNC[C@@H](O)CO 34a_100000703577_100009815848 [0,2,0,0,0,0|0,0,1]=3 9440 B11R0.40 C=CCCCCNC[C@H](O)CO 2230a_100020644852_100011215482 [0,2,0,0,0,0|0,0,1]=3 9441 B11R0.40 C=CCCCCOCC(O)CC 34a_100000766645_100011218378 [0,2,0,0,0,0|1,0,1]=4 9442 B11R0.40 C=CCCCCOCC(O)CC 7a_100000766645_100011218378 [0,2,0,0,0,0|1,0,1]=4 9443 B11R0.40 C=CCCCCOCC(O)CO 34a_100000766645_100011219619 [0,2,0,0,0,0|0,0,1]=3 9444 B11R0.40 C=CCCCCOCC(O)CO 7a_100000766645_100011219619 [0,2,0,0,0,0|0,0,1]=3 9445 B11R0.40 C=CCCCCOC[C@@H](C)CO 34a_100000766645_100000059175 [0,2,0,0,0,0|1,0,1]=4 9446 B11R0.40 C=CCCCCOC[C@@H](C)CO 7a_100000766645_100000059175 [0,2,0,0,0,0|1,0,1]=4 9447 B11R0.40 C=CCCCCOC[C@@H](O)CF 34a_100000766645_100015614560 [0,2,0,0,0,0|1,0,1]=4 9448 B11R0.40 C=CCCCCOC[C@@H](O)CF 7a_100000766645_100015614560 [0,2,0,0,0,0|1,0,1]=4 9449 B11R0.40 C=CCCCCOC[C@@H](O)CO 34a_100000766645_100009815848 [0,2,0,0,0,0|0,0,1]=3 9450 B11R0.40 C=CCCCCOC[C@@H](O)CO 7a_100000766645_100009815848 [0,2,0,0,0,0|0,0,1]=3 9451 B11R0.40 C=CCCCCSCC(O)CC 62a_100011215482_100011218378 [0,2,0,0,0,0|1,0,1]=4 9452 B11R0.40 C=CCCCCSCC(O)CC 62a_100011218378_100011215482 [0,2,0,0,0,0|1,0,1]=4 9453 B11R0.40 C=CCCCCSCC(O)CO 62a_100011215482_100011219619 [0,2,0,0,0,0|0,0,1]=3 9454 B11R0.40 C=CCCCCSCC(O)CO 62a_100011219619_100011215482 [0,2,0,0,0,0|0,0,1]=3 9455 B11R0.40 C=CCCCCSC[C@@H](C)CO 62a_100000059175_100011215482 [0,2,0,0,0,0|1,0,1]=4 9456 B11R0.40 C=CCCCCSC[C@@H](C)CO 62a_100011215482_100000059175 [0,2,0,0,0,0|1,0,1]=4 9457 B11R0.40 C=CCCCCSC[C@@H](O)CF 62a_100011215482_100015614560 [0,2,0,0,0,0|1,0,1]=4 9458 B11R0.40 C=CCCCCSC[C@@H](O)CF 62a_100015614560_100011215482 [0,2,0,0,0,0|1,0,1]=4 9459 B11R0.40 C=CCCCCSC[C@@H](O)CO 62a_100009815848_100011215482 [0,2,0,0,0,0|0,0,1]=3 9460 B11R0.40 C=CCCCCSC[C@@H](O)CO 62a_100011215482_100009815848 [0,2,0,0,0,0|0,0,1]=3 9461 B11R0.40 C=CCCCNCCC(C)CO 2230a_106354213184_100011713584 [0,2,0,0,0,0|1,0,1]=4 9462 B11R0.40 C=CCCCNCCC(C)CO 34a_106354213184_100000757094 [0,2,0,0,0,0|1,0,1]=4 9463 B11R0.40 C=CCOCCOCC(O)CO 34a_100000037705_100011219619 [0,2,0,0,0,0|0,0,2]=4 9464 B11R0.40 C=CCOCCOCC(O)CO 7a_100000037705_100011219619 [0,2,0,0,0,0|0,0,2]=4 9465 B11R0.40 C=CCOCCOC[C@@H](O)CO 34a_100000037705_100009815848 [0,2,0,0,0,0|0,0,2]=4 9466 B11R0.40 C=CCOCCOC[C@@H](O)CO 7a_100000037705_100009815848 [0,2,0,0,0,0|0,0,2]=4 9467 B11R0.40 C=COCCCNCC(O)CO 2230a_100000210767_100011219619 [0,2,0,0,0,0|0,0,2]=4 9468 B11R0.40 C=COCCCNCC(O)CO 34a_100000210767_100011219619 [0,2,0,0,0,0|0,0,2]=4 9469 B11R0.40 C=COCCCNC[C@@H](O)CO 2230a_100000210767_100009815848 [0,2,0,0,0,0|0,0,2]=4 9470 B11R0.40 C=COCCCNC[C@@H](O)CO 34a_100000210767_100009815848 [0,2,0,0,0,0|0,0,2]=4 9471 B11R0.40 CC(CF)OCCCCCCF 34a_100016041109_100015922095 [0,2,0,0,0,0|2,0,0]=4 9472 B11R0.40 CC(CF)OCCCCCCF 7a_100016041109_100015922095 [0,2,0,0,0,0|2,0,0]=4 9473 B11R0.40 CC(CF)OCCCCCCO 34a_100016041109_100000766143 [0,2,0,0,0,0|2,0,0]=4 9474 B11R0.40 CC(CF)OCCCCCCO 7a_100016041109_100000766143 [0,2,0,0,0,0|2,0,0]=4 9475 B11R0.40 CC(CN)COCCCCCF 34a_100000744482_100000729378 [0,2,0,0,0,0|2,0,0]=4 9476 B11R0.40 CC(CN)COCCCCCO 34a_100000744482_100000746330 [0,2,0,0,0,0|2,0,0]=4 9477 B11R0.40 CC(CN)OCCCCCCF 34a_100000210904_100015922095 [0,2,0,0,0,0|2,0,0]=4 9478 B11R0.40 CC(CN)OCCCCCCO 34a_100000210904_100000766143 [0,2,0,0,0,0|2,0,0]=4 9479 B11R0.40 CC(CO)CCNCCCC#N 2230a_106354213184_100000687738 [0,2,0,0,0,0|1,0,1]=4 9480 B11R0.40 CC(CO)CCNCCCC=O 2230a_106354213184_200011292268 [0,2,0,0,0,0|1,0,1]=4 9481 B11R0.40 CC(CO)CCNCCCCF 2230a_106354213184_100000729493 [0,2,0,0,0,0|1,0,0]=3 9482 B11R0.40 CC(CO)CCNCCCCF 34a_106354213184_100000729493 [0,2,0,0,0,0|1,0,0]=3 9483 B11R0.40 CC(CO)CCNCCCCO 2230a_106354213184_100000210776 [0,2,0,0,0,0|1,0,0]=3 9484 B11R0.40 CC(CO)CCNCCCCO 34a_106354213184_100011216708 [0,2,0,0,0,0|1,0,0]=3 9485 B11R0.40 CC(CO)CNCCCCCF 34a_100000744482_100000729378 [0,2,0,0,0,0|1,0,0]=3 9486 B11R0.40 CC(CO)CNCCCCCO 34a_100000744482_100000746330 [0,2,0,0,0,0|1,0,0]=3 9487 B11R0.40 CC(CO)CNCCOCCO 34a_100000744482_100000692535 [0,2,0,0,0,0|2,0,0]=4 9488 B11R0.40 CC(CO)NCCCCCCO 2230a_100000686447_100012180447 [0,2,0,0,0,0|1,0,0]=3 9489 B11R0.40 CC(CO)NCCCCCCO 34a_100000686447_100012180447 [0,2,0,0,0,0|1,0,0]=3 9490 B11R0.40 CC(CO)OCCCCCCBr 34a_100011215345_100012180447 [0,2,0,0,0,0|1,0,0]=3 9491 B11R0.40 CC(CO)OCCCCCCBr 7a_100011215345_100012180447 [0,2,0,0,0,0|1,0,0]=3 9492 B11R0.40 CC(CO)OCCCCCCCl 34a_100000766143_100012180447 [0,2,0,0,0,0|1,0,0]=3 9493 B11R0.40 CC(CO)OCCCCCCCl 7a_100000766143_100012180447 [0,2,0,0,0,0|1,0,0]=3 9494 B11R0.40 CC(CO)OCCCCCCF 34a_100000732779_100012180447 [0,2,0,0,0,0|1,0,0]=3 9495 B11R0.40 CC(CO)OCCCCCCF 7a_100000732779_100012180447 [0,2,0,0,0,0|1,0,0]=3 9496 B11R0.40 CC(CO)OCCCCCCN 34a_100000686447_100012180447 [0,2,0,0,0,0|1,0,0]=3 9497 B11R0.40 CC(CO)SCCCCCC#N 62a_100012180447_100009813376 [0,2,0,0,0,0|1,0,1]=4 9498 B11R0.40 CC(CO)SCCCCCC=O 62a_100012180447_100000139337 [0,2,0,0,0,0|1,0,1]=4 9499 B11R0.40 CC(CO)SCCCCCCF 62a_100012180447_100015922095 [0,2,0,0,0,0|1,0,0]=3 9500 B11R0.40 CC(CO)SCCCCCCO 62a_100012180447_100000766143 [0,2,0,0,0,0|1,0,0]=3 9501 B11R0.40 CC/C=C/CCCOC(C)CO 34a_100016287902_100012180447 [0,2,0,0,0,0|1,0,1]=4 9502 B11R0.40 CC/C=C/CCCOC(C)CO 7a_100016287902_100012180447 [0,2,0,0,0,0|1,0,1]=4 9503 B11R0.40 CC/C=C\CCNCC(C)CO 34a_100000744482_100015370543 [0,2,0,0,0,0|1,0,1]=4 9504 B11R0.40 CC/C=C\CCNCC(O)CC 2230a_100011218483_100015370543 [0,2,0,0,0,0|1,0,1]=4 9505 B11R0.40 CC/C=C\CCNC[C@@H](F)CO 34a_100015665980_100015370543 [0,2,0,0,0,0|1,0,1]=4 9506 B11R0.40 CC/C=C\CCNC[C@H](O)CO 2230a_100020644852_100015370543 [0,2,0,0,0,0|0,0,1]=3 9507 B11R0.40 CC/C=C\CCOCC(O)CC 34a_100016288707_100011218378 [0,2,0,0,0,0|1,0,1]=4 9508 B11R0.40 CC/C=C\CCOCC(O)CC 7a_100016288707_100011218378 [0,2,0,0,0,0|1,0,1]=4 9509 B11R0.40 CC/C=C\CCOCC(O)CO 34a_100016288707_100011219619 [0,2,0,0,0,0|0,0,1]=3 9510 B11R0.40 CC/C=C\CCOCC(O)CO 7a_100016288707_100011219619 [0,2,0,0,0,0|0,0,1]=3 9511 B11R0.40 CC/C=C\CCOC[C@@H](C)CO 34a_100016288707_100000059175 [0,2,0,0,0,0|1,0,1]=4 9512 B11R0.40 CC/C=C\CCOC[C@@H](C)CO 7a_100016288707_100000059175 [0,2,0,0,0,0|1,0,1]=4 9513 B11R0.40 CC/C=C\CCOC[C@@H](O)CF 34a_100016288707_100015614560 [0,2,0,0,0,0|1,0,1]=4 9514 B11R0.40 CC/C=C\CCOC[C@@H](O)CF 7a_100016288707_100015614560 [0,2,0,0,0,0|1,0,1]=4 9515 B11R0.40 CC/C=C\CCOC[C@@H](O)CO 34a_100016288707_100009815848 [0,2,0,0,0,0|0,0,1]=3 9516 B11R0.40 CC/C=C\CCOC[C@@H](O)CO 7a_100016288707_100009815848 [0,2,0,0,0,0|0,0,1]=3 9517 B11R0.40 CC/C=C\CCSCC(O)CC 62a_100011218378_100015370543 [0,2,0,0,0,0|1,0,1]=4 9518 B11R0.40 CC/C=C\CCSCC(O)CC 62a_100015370543_100011218378 [0,2,0,0,0,0|1,0,1]=4 9519 B11R0.40 CC/C=C\CCSCC(O)CO 62a_100011219619_100015370543 [0,2,0,0,0,0|0,0,1]=3 9520 B11R0.40 CC/C=C\CCSCC(O)CO 62a_100015370543_100011219619 [0,2,0,0,0,0|0,0,1]=3 9521 B11R0.40 CC/C=C\CCSC[C@@H](C)CO 62a_100000059175_100015370543 [0,2,0,0,0,0|1,0,1]=4 9522 B11R0.40 CC/C=C\CCSC[C@@H](C)CO 62a_100015370543_100000059175 [0,2,0,0,0,0|1,0,1]=4 9523 B11R0.40 CC/C=C\CCSC[C@@H](O)CF 62a_100015370543_100015614560 [0,2,0,0,0,0|1,0,1]=4 9524 B11R0.40 CC/C=C\CCSC[C@@H](O)CF 62a_100015614560_100015370543 [0,2,0,0,0,0|1,0,1]=4 9525 B11R0.40 CC/C=C\CCSC[C@@H](O)CO 62a_100009815848_100015370543 [0,2,0,0,0,0|0,0,1]=3 9526 B11R0.40 CC/C=C\CCSC[C@@H](O)CO 62a_100015370543_100009815848 [0,2,0,0,0,0|0,0,1]=3 9527 B11R0.40 CC/C=C\CNCCC(C)CO 2230a_106354213184_100103147603 [0,2,0,0,0,0|1,0,1]=4 9528 B11R0.40 CC/C=C\CNCCC(C)CO 34a_106354213184_100103147603 [0,2,0,0,0,0|1,0,1]=4 9529 B11R0.40 CC=C=CCCOCC(O)CO 34a_100011020354_100011219619 [0,2,0,0,0,0|0,0,2]=4 9530 B11R0.40 CC=C=CCCOC[C@@H](O)CO 34a_100011020354_100009815848 [0,2,0,0,0,0|0,0,2]=4 9531 B11R0.40 CC=CCCCOCC(O)CC 34a_100020645299_100011218378 [0,2,0,0,0,0|1,0,1]=4 9532 B11R0.40 CC=CCCCOCC(O)CO 34a_100020645299_100011219619 [0,2,0,0,0,0|0,0,1]=3 9533 B11R0.40 CC=CCCCOC[C@@H](C)CO 34a_100020645299_100000059175 [0,2,0,0,0,0|1,0,1]=4 9534 B11R0.40 CC=CCCCOC[C@@H](O)CF 34a_100020645299_100015614560 [0,2,0,0,0,0|1,0,1]=4 9535 B11R0.40 CC=CCCCOC[C@@H](O)CO 34a_100020645299_100009815848 [0,2,0,0,0,0|0,0,1]=3 9536 B11R0.40 CCC#CCCOCC(O)CC 34a_100000036655_100011218378 [0,2,0,0,0,0|1,0,1]=4 9537 B11R0.40 CCC#CCCOCC(O)CC 7a_100000036655_100011218378 [0,2,0,0,0,0|1,0,1]=4 9538 B11R0.40 CCC#CCCOCC(O)CO 34a_100000036655_100011219619 [0,2,0,0,0,0|0,0,1]=3 9539 B11R0.40 CCC#CCCOCC(O)CO 7a_100000036655_100011219619 [0,2,0,0,0,0|0,0,1]=3 9540 B11R0.40 CCC#CCCOC[C@@H](C)CO 34a_100000036655_100000059175 [0,2,0,0,0,0|1,0,1]=4 9541 B11R0.40 CCC#CCCOC[C@@H](C)CO 7a_100000036655_100000059175 [0,2,0,0,0,0|1,0,1]=4 9542 B11R0.40 CCC#CCCOC[C@@H](O)CF 34a_100000036655_100015614560 [0,2,0,0,0,0|1,0,1]=4 9543 B11R0.40 CCC#CCCOC[C@@H](O)CF 7a_100000036655_100015614560 [0,2,0,0,0,0|1,0,1]=4 9544 B11R0.40 CCC#CCCOC[C@@H](O)CO 34a_100000036655_100009815848 [0,2,0,0,0,0|0,0,1]=3 9545 B11R0.40 CCC#CCCOC[C@@H](O)CO 7a_100000036655_100009815848 [0,2,0,0,0,0|0,0,1]=3 9546 B11R0.40 CCC#CCNCCC(C)CO 2230a_106354213184_100009813939 [0,2,0,0,0,0|1,0,1]=4 9547 B11R0.40 CCC#CCNCCC(C)CO 34a_106354213184_100009813939 [0,2,0,0,0,0|1,0,1]=4 9548 B11R0.40 CCC(C)CCCCCOCF 7a_200000035636_100015361967 [0,2,0,0,0,0|2,0,0]=4 9549 B11R0.40 CCC(C)CCCOCCCF 7a_100011216074_100011934791 [0,2,0,0,0,0|2,0,0]=4 9550 B11R0.40 CCC(C)CCCOCCCO 7a_100011216074_100011215043 [0,2,0,0,0,0|2,0,0]=4 9551 B11R0.40 CCC(C)CCCOCCOC 7a_100011216074_100000233755 [0,2,0,0,0,0|2,0,0]=4 9552 B11R0.40 CCC(C)CCCOCCSC 7a_100011216074_100000212216 [0,2,0,0,0,0|2,0,0]=4 9553 B11R0.40 CCC(C)CCNCCCCF 2230a_100020591266_100000729493 [0,2,0,0,0,0|2,0,0]=4 9554 B11R0.40 CCC(C)CCNCCCCO 2230a_100020591266_100000210776 [0,2,0,0,0,0|2,0,0]=4 9555 B11R0.40 CCC(C)CCNCCCOC 2230a_100020591266_100000740836 [0,2,0,0,0,0|2,0,0]=4 9556 B11R0.40 CCC(C)CCOCCCCF 7a_100011215188_100000729493 [0,2,0,0,0,0|2,0,0]=4 9557 B11R0.40 CCC(C)CCOCCCCO 7a_100011215188_100000210776 [0,2,0,0,0,0|2,0,0]=4 9558 B11R0.40 CCC(C)CCOCCCOC 7a_100011215188_100000740836 [0,2,0,0,0,0|2,0,0]=4 9559 B11R0.40 CCC(C)CNCCCCCF 2230a_100020588543_100000729378 [0,2,0,0,0,0|2,0,0]=4 9560 B11R0.40 CCC(C)CNCCCCCO 2230a_100000762737_100000748023 [0,2,0,0,0,0|2,0,0]=4 9561 B11R0.40 CCC(C)CNCCCCCO 2230a_100020588543_100000746330 [0,2,0,0,0,0|2,0,0]=4 9562 B11R0.40 CCC(C)CNCCCCCO 270004a_100000762737_100000243153 [0,2,0,0,0,0|2,0,0]=4 9563 B11R0.40 CCC(C)CNCCCCCO 34a_100000762737_100000748023 [0,2,0,0,0,0|2,0,0]=4 9564 B11R0.40 CCC(C)CNCCCCOC 2230a_100020588543_100000730899 [0,2,0,0,0,0|2,0,0]=4 9565 B11R0.40 CCC(C)COCCCCCBr 34a_100000746331_100000748023 [0,2,0,0,0,0|2,0,0]=4 9566 B11R0.40 CCC(C)COCCCCCBr 7a_100000746331_100000748023 [0,2,0,0,0,0|2,0,0]=4 9567 B11R0.40 CCC(C)COCCCCCCl 34a_100000746330_100000748023 [0,2,0,0,0,0|2,0,0]=4 9568 B11R0.40 CCC(C)COCCCCCCl 7a_100000746330_100000748023 [0,2,0,0,0,0|2,0,0]=4 9569 B11R0.40 CCC(C)COCCCCCI 34a_200012148887_100000748023 [0,2,0,0,0,0|2,0,0]=4 9570 B11R0.40 CCC(C)COCCCCCI 7a_200012148887_100000748023 [0,2,0,0,0,0|2,0,0]=4 9571 B11R0.40 CCC(C)COCCCCCN 34a_100000762737_100000748023 [0,2,0,0,0,0|2,0,0]=4 9572 B11R0.40 CCC(C)COCCCCOC 34a_100000740925_100000748023 [0,2,0,0,0,0|2,0,0]=4 9573 B11R0.40 CCC(C)COCCCCSC 34a_100011217163_100000748023 [0,2,0,0,0,0|2,0,0]=4 9574 B11R0.40 CCC(C)COCCCCSC 7a_100011217163_100000748023 [0,2,0,0,0,0|2,0,0]=4 9575 B11R0.40 CCC(C)CSCCCCCF 62a_100000729378_100000748023 [0,2,0,0,0,0|2,0,0]=4 9576 B11R0.40 CCC(C)CSCCCCCF 62a_100000748023_100000729378 [0,2,0,0,0,0|2,0,0]=4 9577 B11R0.40 CCC(C)CSCCCCCO 62a_100000746330_100000748023 [0,2,0,0,0,0|2,0,0]=4 9578 B11R0.40 CCC(C)CSCCCCCO 62a_100000748023_100000746330 [0,2,0,0,0,0|2,0,0]=4 9579 B11R0.40 CCC(C)CSCCCCOC 62a_100000730899_100000748023 [0,2,0,0,0,0|2,0,0]=4 9580 B11R0.40 CCC(C)CSCCCCOC 62a_100000748023_100000730899 [0,2,0,0,0,0|2,0,0]=4 9581 B11R0.40 CCC(C)NCCCCCCF 2230a_100000209981_100015922095 [0,2,0,0,0,0|2,0,0]=4 9582 B11R0.40 CCC(C)NCCCCCCO 2230a_100000209981_100000766143 [0,2,0,0,0,0|2,0,0]=4 9583 B11R0.40 CCC(C)NCCCCCCO 2230a_100000686447_100000758301 [0,2,0,0,0,0|2,0,0]=4 9584 B11R0.40 CCC(C)NCCCCCCO 34a_100000686447_100011215416 [0,2,0,0,0,0|2,0,0]=4 9585 B11R0.40 CCC(C)NCCCCCOC 2230a_100000747528_100000758301 [0,2,0,0,0,0|2,0,0]=4 9586 B11R0.40 CCC(C)NCCCCCOC 34a_100000747528_100011215416 [0,2,0,0,0,0|2,0,0]=4 9587 B11R0.40 CCC(C)OCCCCCCBr 34a_100011215345_100011215416 [0,2,0,0,0,0|2,0,0]=4 9588 B11R0.40 CCC(C)OCCCCCCBr 7a_100011215345_100000758301 [0,2,0,0,0,0|2,0,0]=4 9589 B11R0.40 CCC(C)OCCCCCCCl 34a_100000766143_100011215416 [0,2,0,0,0,0|2,0,0]=4 9590 B11R0.40 CCC(C)OCCCCCCCl 7a_100000766143_100000758301 [0,2,0,0,0,0|2,0,0]=4 9591 B11R0.40 CCC(C)OCCCCCCF 34a_100000732779_100011215416 [0,2,0,0,0,0|2,0,0]=4 9592 B11R0.40 CCC(C)OCCCCCCF 7a_100000210228_100015922095 [0,2,0,0,0,0|2,0,0]=4 9593 B11R0.40 CCC(C)OCCCCCCF 7a_100000732779_100000758301 [0,2,0,0,0,0|2,0,0]=4 9594 B11R0.40 CCC(C)OCCCCCCN 34a_100000686447_100011215416 [0,2,0,0,0,0|2,0,0]=4 9595 B11R0.40 CCC(C)OCCCCCCO 7a_100000210228_100000766143 [0,2,0,0,0,0|2,0,0]=4 9596 B11R0.40 CCC(C)OCCCCCNC 34a_100000722520_100011215416 [0,2,0,0,0,0|2,0,0]=4 9597 B11R0.40 CCC(C)SCCCCCCF 62a_100000758301_100015922095 [0,2,0,0,0,0|2,0,0]=4 9598 B11R0.40 CCC(C)SCCCCCCF 62a_100015922095_100000758301 [0,2,0,0,0,0|2,0,0]=4 9599 B11R0.40 CCC(C)SCCCCCCO 62a_100000758301_100000766143 [0,2,0,0,0,0|2,0,0]=4 9600 B11R0.40 CCC(C)SCCCCCCO 62a_100000766143_100000758301 [0,2,0,0,0,0|2,0,0]=4 9601 B11R0.40 CCC(O)CNCCCCC#N 2230a_100011218483_100000211819 [0,2,0,0,0,0|1,0,1]=4 9602 B11R0.40 CCC(O)CNCCCCC=O 2230a_100011218483_100000139335 [0,2,0,0,0,0|1,0,1]=4 9603 B11R0.40 CCC(O)CNCCCCCF 2230a_100011218483_100000729378 [0,2,0,0,0,0|1,0,0]=3 9604 B11R0.40 CCC(O)CNCCCCCO 2230a_100000762737_100011218378 [0,2,0,0,0,0|1,0,0]=3 9605 B11R0.40 CCC(O)CNCCCCCO 2230a_100011218483_100000746330 [0,2,0,0,0,0|1,0,0]=3 9606 B11R0.40 CCC(O)CNCCCCCO 34a_100000762737_100011218378 [0,2,0,0,0,0|1,0,0]=3 9607 B11R0.40 CCC(O)CNCCCCOC 2230a_100011218483_100000730899 [0,2,0,0,0,0|1,0,0]=3 9608 B11R0.40 CCC(O)CNCCOCCO 2230a_100000211614_100011218378 [0,2,0,0,0,0|2,0,0]=4 9609 B11R0.40 CCC(O)CNCCOCCO 2230a_100011218483_100011215305 [0,2,0,0,0,0|2,0,0]=4 9610 B11R0.40 CCC(O)CNCCOCCO 34a_100000211614_100011218378 [0,2,0,0,0,0|2,0,0]=4 9611 B11R0.40 CCC(O)CNCCSCCO 2230a_100011219999_100011218378 [0,2,0,0,0,0|2,0,0]=4 9612 B11R0.40 CCC(O)CNCOCCOC 2230a_100011218483_100000231047 [0,2,0,0,0,0|2,0,0]=4 9613 B11R0.40 CCC(O)COCCCCCBr 34a_100000746331_100011218378 [0,2,0,0,0,0|1,0,0]=3 9614 B11R0.40 CCC(O)COCCCCCBr 7a_100000746331_100011218378 [0,2,0,0,0,0|1,0,0]=3 9615 B11R0.40 CCC(O)COCCCCCCl 34a_100000746330_100011218378 [0,2,0,0,0,0|1,0,0]=3 9616 B11R0.40 CCC(O)COCCCCCCl 7a_100000746330_100011218378 [0,2,0,0,0,0|1,0,0]=3 9617 B11R0.40 CCC(O)COCCCCCI 34a_200012148887_100011218378 [0,2,0,0,0,0|1,0,0]=3 9618 B11R0.40 CCC(O)COCCCCCI 7a_200012148887_100011218378 [0,2,0,0,0,0|1,0,0]=3 9619 B11R0.40 CCC(O)COCCCCCN 34a_100000762737_100011218378 [0,2,0,0,0,0|1,0,0]=3 9620 B11R0.40 CCC(O)COCCCCOC 34a_100000740925_100011218378 [0,2,0,0,0,0|1,0,0]=3 9621 B11R0.40 CCC(O)COCCCCSC 34a_100011217163_100011218378 [0,2,0,0,0,0|1,0,0]=3 9622 B11R0.40 CCC(O)COCCCCSC 7a_100011217163_100011218378 [0,2,0,0,0,0|1,0,0]=3 9623 B11R0.40 CCC(O)COCCOCCBr 34a_100000692535_100011218378 [0,2,0,0,0,0|2,0,0]=4 9624 B11R0.40 CCC(O)COCCOCCBr 7a_100000692535_100011218378 [0,2,0,0,0,0|2,0,0]=4 9625 B11R0.40 CCC(O)COCCOCCCl 34a_100011215305_100011218378 [0,2,0,0,0,0|2,0,0]=4 9626 B11R0.40 CCC(O)COCCOCCCl 7a_100011215305_100011218378 [0,2,0,0,0,0|2,0,0]=4 9627 B11R0.40 CCC(O)COCCOCCF 34a_200015357709_100011218378 [0,2,0,0,0,0|2,0,0]=4 9628 B11R0.40 CCC(O)COCCOCCF 7a_200015357709_100011218378 [0,2,0,0,0,0|2,0,0]=4 9629 B11R0.40 CCC(O)COCCOCCI 34a_100012149058_100011218378 [0,2,0,0,0,0|2,0,0]=4 9630 B11R0.40 CCC(O)COCCOCCI 7a_100012149058_100011218378 [0,2,0,0,0,0|2,0,0]=4 9631 B11R0.40 CCC(O)COCCOCCN 34a_100000211614_100011218378 [0,2,0,0,0,0|2,0,0]=4 9632 B11R0.40 CCC(O)CSCCCCC#N 62a_100011218378_100000211819 [0,2,0,0,0,0|1,0,1]=4 9633 B11R0.40 CCC(O)CSCCCCC#N 62a_100011219923_100011218378 [0,2,0,0,0,0|1,0,1]=4 9634 B11R0.40 CCC(O)CSCCCCC=O 62a_100000139335_100011218378 [0,2,0,0,0,0|1,0,1]=4 9635 B11R0.40 CCC(O)CSCCCCC=O 62a_100011218378_100000139335 [0,2,0,0,0,0|1,0,1]=4 9636 B11R0.40 CCC(O)CSCCCCCF 62a_100000729378_100011218378 [0,2,0,0,0,0|1,0,0]=3 9637 B11R0.40 CCC(O)CSCCCCCF 62a_100011218378_100000729378 [0,2,0,0,0,0|1,0,0]=3 9638 B11R0.40 CCC(O)CSCCCCCO 62a_100000746330_100011218378 [0,2,0,0,0,0|1,0,0]=3 9639 B11R0.40 CCC(O)CSCCCCCO 62a_100011218378_100000746330 [0,2,0,0,0,0|1,0,0]=3 9640 B11R0.40 CCC(O)CSCCCCOC 62a_100000730899_100011218378 [0,2,0,0,0,0|1,0,0]=3 9641 B11R0.40 CCC(O)CSCCCCOC 62a_100011218378_100000730899 [0,2,0,0,0,0|1,0,0]=3 9642 B11R0.40 CCC(O)CSCCOCCO 62a_100011215305_100011218378 [0,2,0,0,0,0|2,0,0]=4 9643 B11R0.40 CCC(O)CSCCOCCO 62a_100011218378_100011215305 [0,2,0,0,0,0|2,0,0]=4 9644 B11R0.40 CCC(O)CSCOCCOC 62a_100000231047_100011218378 [0,2,0,0,0,0|2,0,0]=4 9645 B11R0.40 CCC(O)CSCOCCOC 62a_100011218378_100000231047 [0,2,0,0,0,0|2,0,0]=4 9646 B11R0.40 CCC/C=C/COCC(O)CC 34a_100016278788_100011218378 [0,2,0,0,0,0|1,0,1]=4 9647 B11R0.40 CCC/C=C/COCC(O)CC 7a_100016278788_100011218378 [0,2,0,0,0,0|1,0,1]=4 9648 B11R0.40 CCC/C=C/COCC(O)CO 34a_100016278788_100011219619 [0,2,0,0,0,0|0,0,1]=3 9649 B11R0.40 CCC/C=C/COCC(O)CO 7a_100016278788_100011219619 [0,2,0,0,0,0|0,0,1]=3 9650 B11R0.40 CCC/C=C/COC[C@@H](C)CO 34a_100016278788_100000059175 [0,2,0,0,0,0|1,0,1]=4 9651 B11R0.40 CCC/C=C/COC[C@@H](C)CO 7a_100016278788_100000059175 [0,2,0,0,0,0|1,0,1]=4 9652 B11R0.40 CCC/C=C/COC[C@@H](O)CF 34a_100016278788_100015614560 [0,2,0,0,0,0|1,0,1]=4 9653 B11R0.40 CCC/C=C/COC[C@@H](O)CF 7a_100016278788_100015614560 [0,2,0,0,0,0|1,0,1]=4 9654 B11R0.40 CCC/C=C/COC[C@@H](O)CO 34a_100016278788_100009815848 [0,2,0,0,0,0|0,0,1]=3 9655 B11R0.40 CCC/C=C/COC[C@@H](O)CO 7a_100016278788_100009815848 [0,2,0,0,0,0|0,0,1]=3 9656 B11R0.40 CCCC#CCCOC(C)CO 34a_100000042726_100012180447 [0,2,0,0,0,0|1,0,1]=4 9657 B11R0.40 CCCC#CCCOC(C)CO 7a_100000042726_100012180447 [0,2,0,0,0,0|1,0,1]=4 9658 B11R0.40 CCCC#CCOCC(O)CC 34a_100000034806_100011218378 [0,2,0,0,0,0|1,0,1]=4 9659 B11R0.40 CCCC#CCOCC(O)CC 7a_100000034806_100011218378 [0,2,0,0,0,0|1,0,1]=4 9660 B11R0.40 CCCC#CCOCC(O)CO 34a_100000034806_100011219619 [0,2,0,0,0,0|0,0,1]=3 9661 B11R0.40 CCCC#CCOCC(O)CO 7a_100000034806_100011219619 [0,2,0,0,0,0|0,0,1]=3 9662 B11R0.40 CCCC#CCOC[C@@H](C)CO 34a_100000034806_100000059175 [0,2,0,0,0,0|1,0,1]=4 9663 B11R0.40 CCCC#CCOC[C@@H](C)CO 7a_100000034806_100000059175 [0,2,0,0,0,0|1,0,1]=4 9664 B11R0.40 CCCC#CCOC[C@@H](O)CF 34a_100000034806_100015614560 [0,2,0,0,0,0|1,0,1]=4 9665 B11R0.40 CCCC#CCOC[C@@H](O)CF 7a_100000034806_100015614560 [0,2,0,0,0,0|1,0,1]=4 9666 B11R0.40 CCCC#CCOC[C@@H](O)CO 34a_100000034806_100009815848 [0,2,0,0,0,0|0,0,1]=3 9667 B11R0.40 CCCC#CCOC[C@@H](O)CO 7a_100000034806_100009815848 [0,2,0,0,0,0|0,0,1]=3 9668 B11R0.40 CCCC/C=C/COC(C)CO 34a_200016272032_100012180447 [0,2,0,0,0,0|1,0,1]=4 9669 B11R0.40 CCCC/C=C/COC(C)CO 7a_200016272032_100012180447 [0,2,0,0,0,0|1,0,1]=4 9670 B11R0.40 CCCCC#CCOC(C)CO 34a_200000034558_100012180447 [0,2,0,0,0,0|1,0,1]=4 9671 B11R0.40 CCCCC#CCOC(C)CO 7a_200000034558_100012180447 [0,2,0,0,0,0|1,0,1]=4 9672 B11R0.40 CCCCC=NNCC(O)CC 4a_100015206393_100000210104 [0,2,0,0,0,0|1,0,1]=4 9673 B11R0.40 CCCCCC#CCC(=O)CO 1458a_100000210174_100009816472 [0,2,0,0,0,0|0,0,2]=4 9674 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [0,2,0,0,0,0|0,0,2]=4 9675 B11R0.40 CCCCCCCNC(=O)CO 240690a_100000229938_100000210174 [0,2,0,0,0,0|0,0,2]=4 9676 B11R0.40 CCCCCCCNC(=O)CO 527a_100000229938_100000210174 [0,2,0,0,0,0|0,0,2]=4 9677 B11R0.40 CCCCCCCNC(C)CC 2230a_100000209981_100000210681 [0,2,0,0,0,0|2,0,0]=4 9678 B11R0.40 CCCCCCCNC(C)CC 2230a_100000229938_100000758301 [0,2,0,0,0,0|2,0,0]=4 9679 B11R0.40 CCCCCCCNC(C)CO 2230a_100000229938_100012180447 [0,2,0,0,0,0|1,0,0]=3 9680 B11R0.40 CCCCCCCN[C@H](C)CO 2230a_100000737577_100000210681 [0,2,0,0,0,0|1,0,0]=3 9681 B11R0.40 CCCCCCCOC(C)CC 34a_100000210272_100011215416 [0,2,0,0,0,0|2,0,0]=4 9682 B11R0.40 CCCCCCCOC(C)CC 7a_100000210228_100000210614 [0,2,0,0,0,0|2,0,0]=4 9683 B11R0.40 CCCCCCCOC(C)CC 7a_100000210272_100000758301 [0,2,0,0,0,0|2,0,0]=4 9684 B11R0.40 CCCCCCCOC(C)CF 34a_100016041109_100000210614 [0,2,0,0,0,0|2,0,0]=4 9685 B11R0.40 CCCCCCCOC(C)CF 7a_100016041109_100000210614 [0,2,0,0,0,0|2,0,0]=4 9686 B11R0.40 CCCCCCCOC(C)CN 34a_100000210904_100000210614 [0,2,0,0,0,0|2,0,0]=4 9687 B11R0.40 CCCCCCCOC(C)CO 34a_100000210272_100012180447 [0,2,0,0,0,0|1,0,0]=3 9688 B11R0.40 CCCCCCCOC(C)CO 7a_100000210272_100012180447 [0,2,0,0,0,0|1,0,0]=3 9689 B11R0.40 CCCCCCCSC(C)CC 62a_100000210614_100000758301 [0,2,0,0,0,0|2,0,0]=4 9690 B11R0.40 CCCCCCCSC(C)CC 62a_100000758301_100000210316 [0,2,0,0,0,0|2,0,0]=4 9691 B11R0.40 CCCCCCCSC(C)CO 62a_100012180447_100000210316 [0,2,0,0,0,0|1,0,0]=3 9692 B11R0.40 CCCCCCCS[C@H](C)CO 62a_100000210614_100016084084 [0,2,0,0,0,0|1,0,0]=3 9693 B11R0.40 CCCCCCCS[C@H](C)CO 62a_100016084084_100000210316 [0,2,0,0,0,0|1,0,0]=3 9694 B11R0.40 CCCCCCNCC(C)CC 2230a_100000210581_100000748023 [0,2,0,0,0,0|2,0,0]=4 9695 B11R0.40 CCCCCCNCC(C)CC 2230a_100020588543_100000210314 [0,2,0,0,0,0|2,0,0]=4 9696 B11R0.40 CCCCCCNCC(C)CC 270004a_100000210581_100000243153 [0,2,0,0,0,0|2,0,0]=4 9697 B11R0.40 CCCCCCNCC(C)CO 34a_100000744482_100000210314 [0,2,0,0,0,0|1,0,0]=3 9698 B11R0.40 CCCCCCNCC(O)CC 2230a_100000210581_100011218378 [0,2,0,0,0,0|1,0,0]=3 9699 B11R0.40 CCCCCCNCC(O)CC 2230a_100011218483_100000210314 [0,2,0,0,0,0|1,0,0]=3 9700 B11R0.40 CCCCCCNCC(O)CO 2230a_100000210581_100011219619 [0,2,0,0,0,0|0,0,0]=2 9701 B11R0.40 CCCCCCNC[C@@H](C)CC 2230a_100000210581_100009816398 [0,2,0,0,0,0|2,0,0]=4 9702 B11R0.40 CCCCCCNC[C@@H](C)CO 2230a_100000210581_100000059175 [0,2,0,0,0,0|1,0,0]=3 9703 B11R0.40 CCCCCCNC[C@@H](F)CO 34a_100015665980_100000210314 [0,2,0,0,0,0|1,0,0]=3 9704 B11R0.40 CCCCCCNC[C@@H](O)CF 2230a_100000210581_100015614560 [0,2,0,0,0,0|1,0,0]=3 9705 B11R0.40 CCCCCCNC[C@@H](O)CO 2230a_100000210581_100009815848 [0,2,0,0,0,0|0,0,0]=2 9706 B11R0.40 CCCCCCNC[C@H](O)CO 2230a_100020644852_100000210314 [0,2,0,0,0,0|0,0,0]=2 9707 B11R0.40 CCCCCCOCC(C)CC 34a_100000210259_100000748023 [0,2,0,0,0,0|2,0,0]=4 9708 B11R0.40 CCCCCCOCC(C)CC 7a_100000210259_100000748023 [0,2,0,0,0,0|2,0,0]=4 9709 B11R0.40 CCCCCCOCC(C)CN 34a_100000744482_100000210314 [0,2,0,0,0,0|2,0,0]=4 9710 B11R0.40 CCCCCCOCC(Cl)CCl 34a_100000033668_100000210314 [0,2,0,0,0,0|2,0,0]=4 9711 B11R0.40 CCCCCCOCC(O)CC 34a_100000210259_100011218378 [0,2,0,0,0,0|1,0,0]=3 9712 B11R0.40 CCCCCCOCC(O)CC 7a_100000210259_100011218378 [0,2,0,0,0,0|1,0,0]=3 9713 B11R0.40 CCCCCCOCC(O)CO 34a_100000210259_100011219619 [0,2,0,0,0,0|0,0,0]=2 9714 B11R0.40 CCCCCCOCC(O)CO 7a_100000210259_100011219619 [0,2,0,0,0,0|0,0,0]=2 9715 B11R0.40 CCCCCCOC[C@@H](C)CC 34a_100000210259_100009816398 [0,2,0,0,0,0|2,0,0]=4 9716 B11R0.40 CCCCCCOC[C@@H](C)CC 7a_100000210259_100009816398 [0,2,0,0,0,0|2,0,0]=4 9717 B11R0.40 CCCCCCOC[C@@H](C)CC 7a_100009816381_100000210314 [0,2,0,0,0,0|2,0,0]=4 9718 B11R0.40 CCCCCCOC[C@@H](C)CO 34a_100000210259_100000059175 [0,2,0,0,0,0|1,0,0]=3 9719 B11R0.40 CCCCCCOC[C@@H](C)CO 7a_100000210259_100000059175 [0,2,0,0,0,0|1,0,0]=3 9720 B11R0.40 CCCCCCOC[C@@H](O)CF 34a_100000210259_100015614560 [0,2,0,0,0,0|1,0,0]=3 9721 B11R0.40 CCCCCCOC[C@@H](O)CF 7a_100000210259_100015614560 [0,2,0,0,0,0|1,0,0]=3 9722 B11R0.40 CCCCCCOC[C@@H](O)CO 34a_100000210259_100009815848 [0,2,0,0,0,0|0,0,0]=2 9723 B11R0.40 CCCCCCOC[C@@H](O)CO 7a_100000210259_100009815848 [0,2,0,0,0,0|0,0,0]=2 9724 B11R0.40 CCCCCCOC[C@H](F)CN 34a_100015665980_100000210314 [0,2,0,0,0,0|2,0,0]=4 9725 B11R0.40 CCCCCCSCC(C)CC 62a_100000210314_100000748023 [0,2,0,0,0,0|2,0,0]=4 9726 B11R0.40 CCCCCCSCC(C)CC 62a_100000748023_100000210757 [0,2,0,0,0,0|2,0,0]=4 9727 B11R0.40 CCCCCCSCC(O)CC 62a_100000210314_100011218378 [0,2,0,0,0,0|1,0,0]=3 9728 B11R0.40 CCCCCCSCC(O)CC 62a_100011218378_100000210757 [0,2,0,0,0,0|1,0,0]=3 9729 B11R0.40 CCCCCCSCC(O)CO 62a_100000210314_100011219619 [0,2,0,0,0,0|0,0,0]=2 9730 B11R0.40 CCCCCCSCC(O)CO 62a_100011219619_100000210757 [0,2,0,0,0,0|0,0,0]=2 9731 B11R0.40 CCCCCCSC[C@@H](C)CC 62a_100000210314_100009816398 [0,2,0,0,0,0|2,0,0]=4 9732 B11R0.40 CCCCCCSC[C@@H](C)CC 62a_100009816398_100000210757 [0,2,0,0,0,0|2,0,0]=4 9733 B11R0.40 CCCCCCSC[C@@H](C)CO 62a_100000059175_100000210757 [0,2,0,0,0,0|1,0,0]=3 9734 B11R0.40 CCCCCCSC[C@@H](C)CO 62a_100000210314_100000059175 [0,2,0,0,0,0|1,0,0]=3 9735 B11R0.40 CCCCCCSC[C@@H](O)CF 62a_100000210314_100015614560 [0,2,0,0,0,0|1,0,0]=3 9736 B11R0.40 CCCCCCSC[C@@H](O)CF 62a_100015614560_100000210757 [0,2,0,0,0,0|1,0,0]=3 9737 B11R0.40 CCCCCCSC[C@@H](O)CO 62a_100000210314_100009815848 [0,2,0,0,0,0|0,0,0]=2 9738 B11R0.40 CCCCCCSC[C@@H](O)CO 62a_100009815848_100000210757 [0,2,0,0,0,0|0,0,0]=2 9739 B11R0.40 CCCCCNCCC(C)CC 2230a_100020591266_100000210326 [0,2,0,0,0,0|2,0,0]=4 9740 B11R0.40 CCCCCNCCC(C)CO 2230a_106354213184_100000210326 [0,2,0,0,0,0|1,0,0]=3 9741 B11R0.40 CCCCCNCCC(C)CO 34a_106354213184_100000718602 [0,2,0,0,0,0|1,0,0]=3 9742 B11R0.40 CCCCCNN=CC(O)CO 4a_100000694160_100000033539 [0,2,0,0,0,0|0,0,1]=3 9743 B11R0.40 CCCCCOCCC(C)CC 7a_100011215188_100000210326 [0,2,0,0,0,0|2,0,0]=4 9744 B11R0.40 CCCCOCCCC(C)CC 7a_100011216074_100000210211 [0,2,0,0,0,0|2,0,0]=4 9745 B11R0.40 CCCCOCCC[C@@H](C)CN 34a_100160569302_100000210210 [0,2,0,0,0,0|2,0,0]=4 9746 B11R0.40 CCCCOCCNC(C)CC 2230a_100000209981_100000743108 [0,2,0,0,0,0|2,0,0]=4 9747 B11R0.40 CCCCOCCN[C@H](C)CO 2230a_100000737577_100000743108 [0,2,0,0,0,0|1,0,0]=3 9748 B11R0.40 CCCCOCCOC(C)CC 34a_100000210238_100011215416 [0,2,0,0,0,0|2,0,0]=4 9749 B11R0.40 CCCCOCCOC(C)CC 7a_100000210228_100000743108 [0,2,0,0,0,0|2,0,0]=4 9750 B11R0.40 CCCCOCCOC(C)CC 7a_100000210238_100000758301 [0,2,0,0,0,0|2,0,0]=4 9751 B11R0.40 CCCCOCCOC(C)CF 34a_100016041109_100000743108 [0,2,0,0,0,0|2,0,0]=4 9752 B11R0.40 CCCCOCCOC(C)CF 7a_100016041109_100000743108 [0,2,0,0,0,0|2,0,0]=4 9753 B11R0.40 CCCCOCCOC(C)CN 34a_100000210904_100000743108 [0,2,0,0,0,0|2,0,0]=4 9754 B11R0.40 CCCCOCCOC(C)CO 34a_100000210238_100012180447 [0,2,0,0,0,0|1,0,0]=3 9755 B11R0.40 CCCCOCCOC(C)CO 7a_100000210238_100012180447 [0,2,0,0,0,0|1,0,0]=3 9756 B11R0.40 CCCCOCCSC(C)CC 62a_100000743108_100000758301 [0,2,0,0,0,0|2,0,0]=4 9757 B11R0.40 CCCCOCCSC(C)CC 62a_100000758301_100000743108 [0,2,0,0,0,0|2,0,0]=4 9758 B11R0.40 CCCCOCCSC(C)CO 62a_100012180447_100000743108 [0,2,0,0,0,0|1,0,0]=3 9759 B11R0.40 CCCCOCCS[C@H](C)CO 62a_100000743108_100016084084 [0,2,0,0,0,0|1,0,0]=3 9760 B11R0.40 CCCCOCCS[C@H](C)CO 62a_100016084084_100000743108 [0,2,0,0,0,0|1,0,0]=3 9761 B11R0.40 CCCCOCNCC(C)CC 2230a_100020588543_100011995733 [0,2,0,0,0,0|2,0,0]=4 9762 B11R0.40 CCCCOCNCC(C)CO 34a_100000744482_100011995733 [0,2,0,0,0,0|1,0,0]=3 9763 B11R0.40 CCCCOCNCC(O)CC 2230a_100011218483_100011995733 [0,2,0,0,0,0|1,0,0]=3 9764 B11R0.40 CCCCOCNC[C@@H](F)CO 34a_100015665980_100011995733 [0,2,0,0,0,0|1,0,0]=3 9765 B11R0.40 CCCCOCNC[C@H](O)CO 2230a_100020644852_100011995733 [0,2,0,0,0,0|0,0,0]=2 9766 B11R0.40 CCCCOCOCC(C)CN 34a_100000744482_100011995733 [0,2,0,0,0,0|2,0,0]=4 9767 B11R0.40 CCCCOCOCC(Cl)CCl 34a_100000033668_100011995733 [0,2,0,0,0,0|2,0,0]=4 9768 B11R0.40 CCCCOCOC[C@H](F)CN 34a_100015665980_100011995733 [0,2,0,0,0,0|2,0,0]=4 9769 B11R0.40 CCCCOCSCC(C)CC 62a_100000748023_100011995733 [0,2,0,0,0,0|2,0,0]=4 9770 B11R0.40 CCCCOCSCC(C)CC 62a_100011995733_100000748023 [0,2,0,0,0,0|2,0,0]=4 9771 B11R0.40 CCCCOCSCC(O)CC 62a_100011218378_100011995733 [0,2,0,0,0,0|1,0,0]=3 9772 B11R0.40 CCCCOCSCC(O)CC 62a_100011995733_100011218378 [0,2,0,0,0,0|1,0,0]=3 9773 B11R0.40 CCCCOCSCC(O)CO 62a_100011219619_100011995733 [0,2,0,0,0,0|0,0,0]=2 9774 B11R0.40 CCCCOCSCC(O)CO 62a_100011995733_100011219619 [0,2,0,0,0,0|0,0,0]=2 9775 B11R0.40 CCCCOCSC[C@@H](C)CC 62a_100009816398_100011995733 [0,2,0,0,0,0|2,0,0]=4 9776 B11R0.40 CCCCOCSC[C@@H](C)CC 62a_100011995733_100009816398 [0,2,0,0,0,0|2,0,0]=4 9777 B11R0.40 CCCCOCSC[C@@H](C)CO 62a_100000059175_100011995733 [0,2,0,0,0,0|1,0,0]=3 9778 B11R0.40 CCCCOCSC[C@@H](C)CO 62a_100011995733_100000059175 [0,2,0,0,0,0|1,0,0]=3 9779 B11R0.40 CCCCOCSC[C@@H](O)CF 62a_100011995733_100015614560 [0,2,0,0,0,0|1,0,0]=3 9780 B11R0.40 CCCCOCSC[C@@H](O)CF 62a_100015614560_100011995733 [0,2,0,0,0,0|1,0,0]=3 9781 B11R0.40 CCCCOCSC[C@@H](O)CO 62a_100009815848_100011995733 [0,2,0,0,0,0|0,0,0]=2 9782 B11R0.40 CCCCOCSC[C@@H](O)CO 62a_100011995733_100009815848 [0,2,0,0,0,0|0,0,0]=2 9783 B11R0.40 CCCCSCCNC(=O)CO 240690a_100025743550_100000210174 [0,2,0,0,0,0|0,0,2]=4 9784 B11R0.40 CCCCSCCNC(=O)CO 527a_100025743550_100000210174 [0,2,0,0,0,0|0,0,2]=4 9785 B11R0.40 CCCCSCCNC(C)CC 2230a_100025743550_100000758301 [0,2,0,0,0,0|2,0,0]=4 9786 B11R0.40 CCCCSCCNC(C)CO 2230a_100025743550_100012180447 [0,2,0,0,0,0|1,0,0]=3 9787 B11R0.40 CCCCSCCOC(C)CC 34a_200000230436_100011215416 [0,2,0,0,0,0|2,0,0]=4 9788 B11R0.40 CCCCSCCOC(C)CC 7a_200000230436_100000758301 [0,2,0,0,0,0|2,0,0]=4 9789 B11R0.40 CCCCSCCOC(C)CO 34a_200000230436_100012180447 [0,2,0,0,0,0|1,0,0]=3 9790 B11R0.40 CCCCSCCOC(C)CO 7a_200000230436_100012180447 [0,2,0,0,0,0|1,0,0]=3 9791 B11R0.40 CCCOCCCNC(=O)CO 240690a_100011217757_100000210174 [0,2,0,0,0,0|0,0,2]=4 9792 B11R0.40 CCCOCCCNC(=O)CO 527a_100011217757_100000210174 [0,2,0,0,0,0|0,0,2]=4 9793 B11R0.40 CCCOCCCNC(C)CC 2230a_100011217757_100000758301 [0,2,0,0,0,0|2,0,0]=4 9794 B11R0.40 CCCOCCCNC(C)CC 34a_100011217757_100011215416 [0,2,0,0,0,0|2,0,0]=4 9795 B11R0.40 CCCOCCCNC(C)CO 2230a_100011217757_100012180447 [0,2,0,0,0,0|1,0,0]=3 9796 B11R0.40 CCCOCCCNC(C)CO 34a_100011217757_100012180447 [0,2,0,0,0,0|1,0,0]=3 9797 B11R0.40 CCCOCCNCC(C)CC 2230a_100020588543_100011215938 [0,2,0,0,0,0|2,0,0]=4 9798 B11R0.40 CCCOCCNCC(C)CC 2230a_100161115042_100000748023 [0,2,0,0,0,0|2,0,0]=4 9799 B11R0.40 CCCOCCNCC(C)CC 270004a_100161115042_100000243153 [0,2,0,0,0,0|2,0,0]=4 9800 B11R0.40 CCCOCCNCC(C)CC 34a_100161115042_100000748023 [0,2,0,0,0,0|2,0,0]=4 9801 B11R0.40 CCCOCCNCC(C)CO 34a_100000744482_100011215938 [0,2,0,0,0,0|1,0,0]=3 9802 B11R0.40 CCCOCCNCC(O)CC 2230a_100011218483_100011215938 [0,2,0,0,0,0|1,0,0]=3 9803 B11R0.40 CCCOCCNCC(O)CC 2230a_100161115042_100011218378 [0,2,0,0,0,0|1,0,0]=3 9804 B11R0.40 CCCOCCNCC(O)CC 34a_100161115042_100011218378 [0,2,0,0,0,0|1,0,0]=3 9805 B11R0.40 CCCOCCNCC(O)CO 2230a_100161115042_100011219619 [0,2,0,0,0,0|0,0,0]=2 9806 B11R0.40 CCCOCCNCC(O)CO 34a_100161115042_100011219619 [0,2,0,0,0,0|0,0,0]=2 9807 B11R0.40 CCCOCCNC[C@@H](C)CC 2230a_100161115042_100009816398 [0,2,0,0,0,0|2,0,0]=4 9808 B11R0.40 CCCOCCNC[C@@H](C)CC 34a_100161115042_100009816398 [0,2,0,0,0,0|2,0,0]=4 9809 B11R0.40 CCCOCCNC[C@@H](C)CO 2230a_100161115042_100000059175 [0,2,0,0,0,0|1,0,0]=3 9810 B11R0.40 CCCOCCNC[C@@H](C)CO 34a_100161115042_100000059175 [0,2,0,0,0,0|1,0,0]=3 9811 B11R0.40 CCCOCCNC[C@@H](F)CO 34a_100015665980_100011215938 [0,2,0,0,0,0|1,0,0]=3 9812 B11R0.40 CCCOCCNC[C@@H](O)CF 2230a_100161115042_100015614560 [0,2,0,0,0,0|1,0,0]=3 9813 B11R0.40 CCCOCCNC[C@@H](O)CF 34a_100161115042_100015614560 [0,2,0,0,0,0|1,0,0]=3 9814 B11R0.40 CCCOCCNC[C@@H](O)CO 2230a_100161115042_100009815848 [0,2,0,0,0,0|0,0,0]=2 9815 B11R0.40 CCCOCCNC[C@@H](O)CO 34a_100161115042_100009815848 [0,2,0,0,0,0|0,0,0]=2 9816 B11R0.40 CCCOCCNC[C@H](O)CO 2230a_100020644852_100011215938 [0,2,0,0,0,0|0,0,0]=2 9817 B11R0.40 CCCOCCOCC(C)CC 34a_100000752267_100000748023 [0,2,0,0,0,0|2,0,0]=4 9818 B11R0.40 CCCOCCOCC(C)CC 7a_100000752267_100000748023 [0,2,0,0,0,0|2,0,0]=4 9819 B11R0.40 CCCOCCOCC(C)CN 34a_100000744482_100011215938 [0,2,0,0,0,0|2,0,0]=4 9820 B11R0.40 CCCOCCOCC(Cl)CCl 34a_100000033668_100011215938 [0,2,0,0,0,0|2,0,0]=4 9821 B11R0.40 CCCOCCOCC(O)CC 34a_100000752267_100011218378 [0,2,0,0,0,0|1,0,0]=3 9822 B11R0.40 CCCOCCOCC(O)CC 7a_100000752267_100011218378 [0,2,0,0,0,0|1,0,0]=3 9823 B11R0.40 CCCOCCOCC(O)CO 34a_100000752267_100011219619 [0,2,0,0,0,0|0,0,0]=2 9824 B11R0.40 CCCOCCOCC(O)CO 7a_100000752267_100011219619 [0,2,0,0,0,0|0,0,0]=2 9825 B11R0.40 CCCOCCOC[C@@H](C)CC 34a_100000752267_100009816398 [0,2,0,0,0,0|2,0,0]=4 9826 B11R0.40 CCCOCCOC[C@@H](C)CC 7a_100000752267_100009816398 [0,2,0,0,0,0|2,0,0]=4 9827 B11R0.40 CCCOCCOC[C@@H](C)CC 7a_100009816381_100011215938 [0,2,0,0,0,0|2,0,0]=4 9828 B11R0.40 CCCOCCOC[C@@H](C)CO 34a_100000752267_100000059175 [0,2,0,0,0,0|1,0,0]=3 9829 B11R0.40 CCCOCCOC[C@@H](C)CO 7a_100000752267_100000059175 [0,2,0,0,0,0|1,0,0]=3 9830 B11R0.40 CCCOCCOC[C@@H](O)CF 34a_100000752267_100015614560 [0,2,0,0,0,0|1,0,0]=3 9831 B11R0.40 CCCOCCOC[C@@H](O)CF 7a_100000752267_100015614560 [0,2,0,0,0,0|1,0,0]=3 9832 B11R0.40 CCCOCCOC[C@@H](O)CO 34a_100000752267_100009815848 [0,2,0,0,0,0|0,0,0]=2 9833 B11R0.40 CCCOCCOC[C@@H](O)CO 7a_100000752267_100009815848 [0,2,0,0,0,0|0,0,0]=2 9834 B11R0.40 CCCOCCOC[C@H](F)CN 34a_100015665980_100011215938 [0,2,0,0,0,0|2,0,0]=4 9835 B11R0.40 CCCOCCSCC(C)CC 62a_100000748023_100011215938 [0,2,0,0,0,0|2,0,0]=4 9836 B11R0.40 CCCOCCSCC(C)CC 62a_100011215938_100000748023 [0,2,0,0,0,0|2,0,0]=4 9837 B11R0.40 CCCOCCSCC(O)CC 62a_100011215938_100011218378 [0,2,0,0,0,0|1,0,0]=3 9838 B11R0.40 CCCOCCSCC(O)CC 62a_100011218378_100011215938 [0,2,0,0,0,0|1,0,0]=3 9839 B11R0.40 CCCOCCSCC(O)CO 62a_100011215938_100011219619 [0,2,0,0,0,0|0,0,0]=2 9840 B11R0.40 CCCOCCSCC(O)CO 62a_100011219619_100011215938 [0,2,0,0,0,0|0,0,0]=2 9841 B11R0.40 CCCOCCSC[C@@H](C)CC 62a_100009816398_100011215938 [0,2,0,0,0,0|2,0,0]=4 9842 B11R0.40 CCCOCCSC[C@@H](C)CC 62a_100011215938_100009816398 [0,2,0,0,0,0|2,0,0]=4 9843 B11R0.40 CCCOCCSC[C@@H](C)CO 62a_100000059175_100011215938 [0,2,0,0,0,0|1,0,0]=3 9844 B11R0.40 CCCOCCSC[C@@H](C)CO 62a_100011215938_100000059175 [0,2,0,0,0,0|1,0,0]=3 9845 B11R0.40 CCCOCCSC[C@@H](O)CF 62a_100011215938_100015614560 [0,2,0,0,0,0|1,0,0]=3 9846 B11R0.40 CCCOCCSC[C@@H](O)CF 62a_100015614560_100011215938 [0,2,0,0,0,0|1,0,0]=3 9847 B11R0.40 CCCOCCSC[C@@H](O)CO 62a_100009815848_100011215938 [0,2,0,0,0,0|0,0,0]=2 9848 B11R0.40 CCCOCCSC[C@@H](O)CO 62a_100011215938_100009815848 [0,2,0,0,0,0|0,0,0]=2 9849 B11R0.40 CCCSCCNCC(C)CC 2230a_100020603323_100000748023 [0,2,0,0,0,0|2,0,0]=4 9850 B11R0.40 CCCSCCNCC(C)CC 270004a_100020603323_100000243153 [0,2,0,0,0,0|2,0,0]=4 9851 B11R0.40 CCCSCCNCC(O)CC 2230a_100020603323_100011218378 [0,2,0,0,0,0|1,0,0]=3 9852 B11R0.40 CCCSCCNCC(O)CO 2230a_100020603323_100011219619 [0,2,0,0,0,0|0,0,0]=2 9853 B11R0.40 CCCSCCNC[C@@H](C)CC 2230a_100020603323_100009816398 [0,2,0,0,0,0|2,0,0]=4 9854 B11R0.40 CCCSCCNC[C@@H](C)CO 2230a_100020603323_100000059175 [0,2,0,0,0,0|1,0,0]=3 9855 B11R0.40 CCCSCCNC[C@@H](O)CF 2230a_100020603323_100015614560 [0,2,0,0,0,0|1,0,0]=3 9856 B11R0.40 CCCSCCNC[C@@H](O)CO 2230a_100020603323_100009815848 [0,2,0,0,0,0|0,0,0]=2 9857 B11R0.40 CCCSCCOCC(C)CC 34a_200000230433_100000748023 [0,2,0,0,0,0|2,0,0]=4 9858 B11R0.40 CCCSCCOCC(C)CC 7a_200000230433_100000748023 [0,2,0,0,0,0|2,0,0]=4 9859 B11R0.40 CCCSCCOCC(O)CC 34a_200000230433_100011218378 [0,2,0,0,0,0|1,0,0]=3 9860 B11R0.40 CCCSCCOCC(O)CC 7a_200000230433_100011218378 [0,2,0,0,0,0|1,0,0]=3 9861 B11R0.40 CCCSCCOCC(O)CO 34a_200000230433_100011219619 [0,2,0,0,0,0|0,0,0]=2 9862 B11R0.40 CCCSCCOCC(O)CO 7a_200000230433_100011219619 [0,2,0,0,0,0|0,0,0]=2 9863 B11R0.40 CCCSCCOC[C@@H](C)CC 34a_200000230433_100009816398 [0,2,0,0,0,0|2,0,0]=4 9864 B11R0.40 CCCSCCOC[C@@H](C)CC 7a_200000230433_100009816398 [0,2,0,0,0,0|2,0,0]=4 9865 B11R0.40 CCCSCCOC[C@@H](C)CO 34a_200000230433_100000059175 [0,2,0,0,0,0|1,0,0]=3 9866 B11R0.40 CCCSCCOC[C@@H](C)CO 7a_200000230433_100000059175 [0,2,0,0,0,0|1,0,0]=3 9867 B11R0.40 CCCSCCOC[C@@H](O)CF 34a_200000230433_100015614560 [0,2,0,0,0,0|1,0,0]=3 9868 B11R0.40 CCCSCCOC[C@@H](O)CF 7a_200000230433_100015614560 [0,2,0,0,0,0|1,0,0]=3 9869 B11R0.40 CCCSCCOC[C@@H](O)CO 34a_200000230433_100009815848 [0,2,0,0,0,0|0,0,0]=2 9870 B11R0.40 CCCSCCOC[C@@H](O)CO 7a_200000230433_100009815848 [0,2,0,0,0,0|0,0,0]=2 9871 B11R0.40 CCOCCCCCC(C)CC 7a_200000035636_100000210202 [0,2,0,0,0,0|2,0,0]=4 9872 B11R0.40 CCOCCCNCC(C)CC 2230a_100000210961_100000748023 [0,2,0,0,0,0|2,0,0]=4 9873 B11R0.40 CCOCCCNCC(C)CC 2230a_100020588543_100012232248 [0,2,0,0,0,0|2,0,0]=4 9874 B11R0.40 CCOCCCNCC(C)CC 270004a_100000210961_100000243153 [0,2,0,0,0,0|2,0,0]=4 9875 B11R0.40 CCOCCCNCC(C)CC 34a_100000210961_100000748023 [0,2,0,0,0,0|2,0,0]=4 9876 B11R0.40 CCOCCCNCC(C)CO 34a_100000744482_100012232248 [0,2,0,0,0,0|1,0,0]=3 9877 B11R0.40 CCOCCCNCC(O)CC 2230a_100000210961_100011218378 [0,2,0,0,0,0|1,0,0]=3 9878 B11R0.40 CCOCCCNCC(O)CC 2230a_100011218483_100012232248 [0,2,0,0,0,0|1,0,0]=3 9879 B11R0.40 CCOCCCNCC(O)CC 34a_100000210961_100011218378 [0,2,0,0,0,0|1,0,0]=3 9880 B11R0.40 CCOCCCNCC(O)CO 2230a_100000210961_100011219619 [0,2,0,0,0,0|0,0,0]=2 9881 B11R0.40 CCOCCCNCC(O)CO 34a_100000210961_100011219619 [0,2,0,0,0,0|0,0,0]=2 9882 B11R0.40 CCOCCCNC[C@@H](C)CC 2230a_100000210961_100009816398 [0,2,0,0,0,0|2,0,0]=4 9883 B11R0.40 CCOCCCNC[C@@H](C)CC 34a_100000210961_100009816398 [0,2,0,0,0,0|2,0,0]=4 9884 B11R0.40 CCOCCCNC[C@@H](C)CO 2230a_100000210961_100000059175 [0,2,0,0,0,0|1,0,0]=3 9885 B11R0.40 CCOCCCNC[C@@H](C)CO 34a_100000210961_100000059175 [0,2,0,0,0,0|1,0,0]=3 9886 B11R0.40 CCOCCCNC[C@@H](F)CO 34a_100015665980_100012232248 [0,2,0,0,0,0|1,0,0]=3 9887 B11R0.40 CCOCCCNC[C@@H](O)CF 2230a_100000210961_100015614560 [0,2,0,0,0,0|1,0,0]=3 9888 B11R0.40 CCOCCCNC[C@@H](O)CF 34a_100000210961_100015614560 [0,2,0,0,0,0|1,0,0]=3 9889 B11R0.40 CCOCCCNC[C@@H](O)CO 2230a_100000210961_100009815848 [0,2,0,0,0,0|0,0,0]=2 9890 B11R0.40 CCOCCCNC[C@@H](O)CO 34a_100000210961_100009815848 [0,2,0,0,0,0|0,0,0]=2 9891 B11R0.40 CCOCCCNC[C@H](O)CO 2230a_100020644852_100012232248 [0,2,0,0,0,0|0,0,0]=2 9892 B11R0.40 CCOCCCOCC(C)CC 34a_100000757476_100000748023 [0,2,0,0,0,0|2,0,0]=4 9893 B11R0.40 CCOCCCOCC(C)CC 7a_100000757476_100000748023 [0,2,0,0,0,0|2,0,0]=4 9894 B11R0.40 CCOCCCOCC(C)CN 34a_100000744482_100012232248 [0,2,0,0,0,0|2,0,0]=4 9895 B11R0.40 CCOCCCOCC(Cl)CCl 34a_100000033668_100012232248 [0,2,0,0,0,0|2,0,0]=4 9896 B11R0.40 CCOCCCOCC(O)CC 34a_100000757476_100011218378 [0,2,0,0,0,0|1,0,0]=3 9897 B11R0.40 CCOCCCOCC(O)CC 7a_100000757476_100011218378 [0,2,0,0,0,0|1,0,0]=3 9898 B11R0.40 CCOCCCOCC(O)CO 34a_100000757476_100011219619 [0,2,0,0,0,0|0,0,0]=2 9899 B11R0.40 CCOCCCOCC(O)CO 7a_100000757476_100011219619 [0,2,0,0,0,0|0,0,0]=2 9900 B11R0.40 CCOCCCOC[C@@H](C)CC 34a_100000757476_100009816398 [0,2,0,0,0,0|2,0,0]=4 9901 B11R0.40 CCOCCCOC[C@@H](C)CC 7a_100000757476_100009816398 [0,2,0,0,0,0|2,0,0]=4 9902 B11R0.40 CCOCCCOC[C@@H](C)CC 7a_100009816381_100012232248 [0,2,0,0,0,0|2,0,0]=4 9903 B11R0.40 CCOCCCOC[C@@H](C)CO 34a_100000757476_100000059175 [0,2,0,0,0,0|1,0,0]=3 9904 B11R0.40 CCOCCCOC[C@@H](C)CO 7a_100000757476_100000059175 [0,2,0,0,0,0|1,0,0]=3 9905 B11R0.40 CCOCCCOC[C@@H](O)CF 34a_100000757476_100015614560 [0,2,0,0,0,0|1,0,0]=3 9906 B11R0.40 CCOCCCOC[C@@H](O)CF 7a_100000757476_100015614560 [0,2,0,0,0,0|1,0,0]=3 9907 B11R0.40 CCOCCCOC[C@@H](O)CO 34a_100000757476_100009815848 [0,2,0,0,0,0|0,0,0]=2 9908 B11R0.40 CCOCCCOC[C@@H](O)CO 7a_100000757476_100009815848 [0,2,0,0,0,0|0,0,0]=2 9909 B11R0.40 CCOCCCOC[C@H](F)CN 34a_100015665980_100012232248 [0,2,0,0,0,0|2,0,0]=4 9910 B11R0.40 CCOCCCSCC(C)CC 62a_100000748023_100012232248 [0,2,0,0,0,0|2,0,0]=4 9911 B11R0.40 CCOCCCSCC(C)CC 62a_100012232248_100000748023 [0,2,0,0,0,0|2,0,0]=4 9912 B11R0.40 CCOCCCSCC(O)CC 62a_100011218378_100012232248 [0,2,0,0,0,0|1,0,0]=3 9913 B11R0.40 CCOCCCSCC(O)CC 62a_100012232248_100011218378 [0,2,0,0,0,0|1,0,0]=3 9914 B11R0.40 CCOCCCSCC(O)CO 62a_100011219619_100012232248 [0,2,0,0,0,0|0,0,0]=2 9915 B11R0.40 CCOCCCSCC(O)CO 62a_100012232248_100011219619 [0,2,0,0,0,0|0,0,0]=2 9916 B11R0.40 CCOCCCSC[C@@H](C)CC 62a_100009816398_100012232248 [0,2,0,0,0,0|2,0,0]=4 9917 B11R0.40 CCOCCCSC[C@@H](C)CC 62a_100012232248_100009816398 [0,2,0,0,0,0|2,0,0]=4 9918 B11R0.40 CCOCCCSC[C@@H](C)CO 62a_100000059175_100012232248 [0,2,0,0,0,0|1,0,0]=3 9919 B11R0.40 CCOCCCSC[C@@H](C)CO 62a_100012232248_100000059175 [0,2,0,0,0,0|1,0,0]=3 9920 B11R0.40 CCOCCCSC[C@@H](O)CF 62a_100012232248_100015614560 [0,2,0,0,0,0|1,0,0]=3 9921 B11R0.40 CCOCCCSC[C@@H](O)CF 62a_100015614560_100012232248 [0,2,0,0,0,0|1,0,0]=3 9922 B11R0.40 CCOCCCSC[C@@H](O)CO 62a_100009815848_100012232248 [0,2,0,0,0,0|0,0,0]=2 9923 B11R0.40 CCOCCCSC[C@@H](O)CO 62a_100012232248_100009815848 [0,2,0,0,0,0|0,0,0]=2 9924 B11R0.40 CCOCCNCCC(C)CC 2230a_100020591266_100011215890 [0,2,0,0,0,0|2,0,0]=4 9925 B11R0.40 CCOCCNCCC(C)CO 2230a_106354213184_100011215890 [0,2,0,0,0,0|1,0,0]=3 9926 B11R0.40 CCOCCNCCC(C)CO 34a_106354213184_100000210147 [0,2,0,0,0,0|1,0,0]=3 9927 B11R0.40 CCOCCNN=CC(O)CO 4a_100000732670_100000033539 [0,2,0,0,0,0|1,0,1]=4 9928 B11R0.40 CCOCCOCCC(=O)CO 1458a_100000210174_100011211534 [0,2,0,0,0,0|0,0,2]=4 9929 B11R0.40 CCOCCOCCC(C)CC 7a_100011215188_100011215890 [0,2,0,0,0,0|2,0,0]=4 9930 B11R0.40 CCSCCCOCC(C)CC 34a_100011216438_100000748023 [0,2,0,0,0,0|2,0,0]=4 9931 B11R0.40 CCSCCCOCC(C)CC 7a_100011216438_100000748023 [0,2,0,0,0,0|2,0,0]=4 9932 B11R0.40 CCSCCCOCC(O)CC 34a_100011216438_100011218378 [0,2,0,0,0,0|1,0,0]=3 9933 B11R0.40 CCSCCCOCC(O)CC 7a_100011216438_100011218378 [0,2,0,0,0,0|1,0,0]=3 9934 B11R0.40 CCSCCCOCC(O)CO 34a_100011216438_100011219619 [0,2,0,0,0,0|0,0,0]=2 9935 B11R0.40 CCSCCCOCC(O)CO 7a_100011216438_100011219619 [0,2,0,0,0,0|0,0,0]=2 9936 B11R0.40 CCSCCCOC[C@@H](C)CC 34a_100011216438_100009816398 [0,2,0,0,0,0|2,0,0]=4 9937 B11R0.40 CCSCCCOC[C@@H](C)CC 7a_100011216438_100009816398 [0,2,0,0,0,0|2,0,0]=4 9938 B11R0.40 CCSCCCOC[C@@H](C)CO 34a_100011216438_100000059175 [0,2,0,0,0,0|1,0,0]=3 9939 B11R0.40 CCSCCCOC[C@@H](C)CO 7a_100011216438_100000059175 [0,2,0,0,0,0|1,0,0]=3 9940 B11R0.40 CCSCCCOC[C@@H](O)CF 34a_100011216438_100015614560 [0,2,0,0,0,0|1,0,0]=3 9941 B11R0.40 CCSCCCOC[C@@H](O)CF 7a_100011216438_100015614560 [0,2,0,0,0,0|1,0,0]=3 9942 B11R0.40 CCSCCCOC[C@@H](O)CO 34a_100011216438_100009815848 [0,2,0,0,0,0|0,0,0]=2 9943 B11R0.40 CCSCCCOC[C@@H](O)CO 7a_100011216438_100009815848 [0,2,0,0,0,0|0,0,0]=2 9944 B11R0.40 CCSCCNCCC(C)CC 2230a_100020591266_100000757381 [0,2,0,0,0,0|2,0,0]=4 9945 B11R0.40 CCSCCNCCC(C)CO 2230a_106354213184_100000757381 [0,2,0,0,0,0|1,0,0]=3 9946 B11R0.40 CCSCCNCCC(C)CO 34a_106354213184_100000757381 [0,2,0,0,0,0|1,0,0]=3 9947 B11R0.40 CCSCCOCCC(C)CC 7a_100011215188_100000757381 [0,2,0,0,0,0|2,0,0]=4 9948 B11R0.40 CC[C@H](C)CNCCCCCO 2230a_100000762737_100009816398 [0,2,0,0,0,0|2,0,0]=4 9949 B11R0.40 CC[C@H](C)CNCCCCCO 34a_100000762737_100009816398 [0,2,0,0,0,0|2,0,0]=4 9950 B11R0.40 CC[C@H](C)COCCCCCBr 34a_100000746331_100009816398 [0,2,0,0,0,0|2,0,0]=4 9951 B11R0.40 CC[C@H](C)COCCCCCBr 7a_100000746331_100009816398 [0,2,0,0,0,0|2,0,0]=4 9952 B11R0.40 CC[C@H](C)COCCCCCCl 34a_100000746330_100009816398 [0,2,0,0,0,0|2,0,0]=4 9953 B11R0.40 CC[C@H](C)COCCCCCCl 7a_100000746330_100009816398 [0,2,0,0,0,0|2,0,0]=4 9954 B11R0.40 CC[C@H](C)COCCCCCF 7a_100009816381_100000729378 [0,2,0,0,0,0|2,0,0]=4 9955 B11R0.40 CC[C@H](C)COCCCCCI 34a_200012148887_100009816398 [0,2,0,0,0,0|2,0,0]=4 9956 B11R0.40 CC[C@H](C)COCCCCCI 7a_200012148887_100009816398 [0,2,0,0,0,0|2,0,0]=4 9957 B11R0.40 CC[C@H](C)COCCCCCN 34a_100000762737_100009816398 [0,2,0,0,0,0|2,0,0]=4 9958 B11R0.40 CC[C@H](C)COCCCCCO 7a_100009816381_100000746330 [0,2,0,0,0,0|2,0,0]=4 9959 B11R0.40 CC[C@H](C)COCCCCOC 34a_100000740925_100009816398 [0,2,0,0,0,0|2,0,0]=4 9960 B11R0.40 CC[C@H](C)COCCCCOC 7a_100009816381_100000730899 [0,2,0,0,0,0|2,0,0]=4 9961 B11R0.40 CC[C@H](C)COCCCCSC 34a_100011217163_100009816398 [0,2,0,0,0,0|2,0,0]=4 9962 B11R0.40 CC[C@H](C)COCCCCSC 7a_100011217163_100009816398 [0,2,0,0,0,0|2,0,0]=4 9963 B11R0.40 CC[C@H](C)CSCCCCCF 62a_100000729378_100009816398 [0,2,0,0,0,0|2,0,0]=4 9964 B11R0.40 CC[C@H](C)CSCCCCCF 62a_100009816398_100000729378 [0,2,0,0,0,0|2,0,0]=4 9965 B11R0.40 CC[C@H](C)CSCCCCCO 62a_100000746330_100009816398 [0,2,0,0,0,0|2,0,0]=4 9966 B11R0.40 CC[C@H](C)CSCCCCCO 62a_100009816398_100000746330 [0,2,0,0,0,0|2,0,0]=4 9967 B11R0.40 CC[C@H](C)CSCCCCOC 62a_100000730899_100009816398 [0,2,0,0,0,0|2,0,0]=4 9968 B11R0.40 CC[C@H](C)CSCCCCOC 62a_100009816398_100000730899 [0,2,0,0,0,0|2,0,0]=4 9969 B11R0.40 CNCCCCCOC(C)CO 34a_100000722520_100012180447 [0,2,0,0,0,0|1,0,0]=3 9970 B11R0.40 CNCCOCCOC(C)CO 34a_100000228057_100012180447 [0,2,0,0,0,0|2,0,0]=4 9971 B11R0.40 COCCCCCCC(=O)CO 1458a_100000210174_100011998445 [0,2,0,0,0,0|0,0,2]=4 9972 B11R0.40 COCCCCCNC(=O)CO 240690a_100000747528_100000210174 [0,2,0,0,0,0|0,0,2]=4 9973 B11R0.40 COCCCCCNC(=O)CO 527a_100000747528_100000210174 [0,2,0,0,0,0|0,0,2]=4 9974 B11R0.40 COCCCCCNC(C)CO 2230a_100000747528_100012180447 [0,2,0,0,0,0|1,0,0]=3 9975 B11R0.40 COCCCCCNC(C)CO 34a_100000747528_100012180447 [0,2,0,0,0,0|1,0,0]=3 9976 B11R0.40 COCCCCNCC(C)CO 34a_100000744482_100000755781 [0,2,0,0,0,0|1,0,0]=3 9977 B11R0.40 COCCCCNC[C@@H](F)CO 34a_100015665980_100000755781 [0,2,0,0,0,0|1,0,0]=3 9978 B11R0.40 COCCCCNC[C@H](O)CO 2230a_100020644852_100000730899 [0,2,0,0,0,0|0,0,0]=2 9979 B11R0.40 COCCCCOCC(C)CN 34a_100000744482_100000755781 [0,2,0,0,0,0|2,0,0]=4 9980 B11R0.40 COCCCCOCC(Cl)CCl 34a_100000033668_100000755781 [0,2,0,0,0,0|2,0,0]=4 9981 B11R0.40 COCCCCOCC(O)CO 34a_100000740925_100011219619 [0,2,0,0,0,0|0,0,0]=2 9982 B11R0.40 COCCCCOC[C@@H](C)CO 34a_100000740925_100000059175 [0,2,0,0,0,0|1,0,0]=3 9983 B11R0.40 COCCCCOC[C@@H](O)CF 34a_100000740925_100015614560 [0,2,0,0,0,0|1,0,0]=3 9984 B11R0.40 COCCCCOC[C@@H](O)CO 34a_100000740925_100009815848 [0,2,0,0,0,0|0,0,0]=2 9985 B11R0.40 COCCCCOC[C@H](F)CN 34a_100015665980_100000755781 [0,2,0,0,0,0|2,0,0]=4 9986 B11R0.40 COCCCCSCC(O)CO 62a_100000730899_100011219619 [0,2,0,0,0,0|0,0,0]=2 9987 B11R0.40 COCCCCSCC(O)CO 62a_100011219619_100000730899 [0,2,0,0,0,0|0,0,0]=2 9988 B11R0.40 COCCCCSC[C@@H](C)CO 62a_100000059175_100000730899 [0,2,0,0,0,0|1,0,0]=3 9989 B11R0.40 COCCCCSC[C@@H](C)CO 62a_100000730899_100000059175 [0,2,0,0,0,0|1,0,0]=3 9990 B11R0.40 COCCCCSC[C@@H](O)CF 62a_100000730899_100015614560 [0,2,0,0,0,0|1,0,0]=3 9991 B11R0.40 COCCCCSC[C@@H](O)CF 62a_100015614560_100000730899 [0,2,0,0,0,0|1,0,0]=3 9992 B11R0.40 COCCCCSC[C@@H](O)CO 62a_100000730899_100009815848 [0,2,0,0,0,0|0,0,0]=2 9993 B11R0.40 COCCCCSC[C@@H](O)CO 62a_100009815848_100000730899 [0,2,0,0,0,0|0,0,0]=2 9994 B11R0.40 COCCCNCCC(C)CO 2230a_106354213184_100000740836 [0,2,0,0,0,0|1,0,0]=3 9995 B11R0.40 COCCCNCCC(C)CO 34a_106354213184_100000740836 [0,2,0,0,0,0|1,0,0]=3 9996 B11R0.40 COCCOCCCC(=O)CO 1458a_100000210174_100011216529 [0,2,0,0,0,0|0,0,2]=4 9997 B11R0.40 COCCOCCC[C@@H](C)CN 34a_100160569302_100011201679 [0,2,0,0,0,0|2,0,0]=4 9998 B11R0.40 COCCOCCNC(C)CO 2230a_100000745349_100012180447 [0,2,0,0,0,0|2,0,0]=4 9999 B11R0.40 COCCOCCNC(C)CO 34a_100000745349_100012180447 [0,2,0,0,0,0|2,0,0]=4 10000 B11R0.40 COCCOCCN[C@H](C)CO 2230a_100000737577_100000695917 [0,2,0,0,0,0|2,0,0]=4 10001 B11R0.40 COCCOCCOC(C)CO 34a_100011215163_100012180447 [0,2,0,0,0,0|2,0,0]=4 10002 B11R0.40 COCCOCCOC(C)CO 7a_100011215163_100012180447 [0,2,0,0,0,0|2,0,0]=4 10003 B11R0.40 COCCOCCSC(C)CO 62a_100012180447_100000695917 [0,2,0,0,0,0|2,0,0]=4 10004 B11R0.40 COCCOCCS[C@H](C)CO 62a_100000695917_100016084084 [0,2,0,0,0,0|2,0,0]=4 10005 B11R0.40 COCCOCCS[C@H](C)CO 62a_100016084084_100000695917 [0,2,0,0,0,0|2,0,0]=4 10006 B11R0.40 COCCOCNC[C@H](O)CO 2230a_100020644852_100000231047 [0,2,0,0,0,0|1,0,0]=3 10007 B11R0.40 COCCOCSCC(O)CO 62a_100000231047_100011219619 [0,2,0,0,0,0|1,0,0]=3 10008 B11R0.40 COCCOCSCC(O)CO 62a_100011219619_100000231047 [0,2,0,0,0,0|1,0,0]=3 10009 B11R0.40 COCCOCSC[C@@H](C)CO 62a_100000059175_100000231047 [0,2,0,0,0,0|2,0,0]=4 10010 B11R0.40 COCCOCSC[C@@H](C)CO 62a_100000231047_100000059175 [0,2,0,0,0,0|2,0,0]=4 10011 B11R0.40 COCCOCSC[C@@H](O)CF 62a_100000231047_100015614560 [0,2,0,0,0,0|2,0,0]=4 10012 B11R0.40 COCCOCSC[C@@H](O)CF 62a_100015614560_100000231047 [0,2,0,0,0,0|2,0,0]=4 10013 B11R0.40 COCCOCSC[C@@H](O)CO 62a_100000231047_100009815848 [0,2,0,0,0,0|1,0,0]=3 10014 B11R0.40 COCCOCSC[C@@H](O)CO 62a_100009815848_100000231047 [0,2,0,0,0,0|1,0,0]=3 10015 B11R0.40 CSCCCCOCC(O)CO 34a_100011217163_100011219619 [0,2,0,0,0,0|0,0,0]=2 10016 B11R0.40 CSCCCCOCC(O)CO 7a_100011217163_100011219619 [0,2,0,0,0,0|0,0,0]=2 10017 B11R0.40 CSCCCCOC[C@@H](C)CO 34a_100011217163_100000059175 [0,2,0,0,0,0|1,0,0]=3 10018 B11R0.40 CSCCCCOC[C@@H](C)CO 7a_100011217163_100000059175 [0,2,0,0,0,0|1,0,0]=3 10019 B11R0.40 CSCCCCOC[C@@H](O)CF 34a_100011217163_100015614560 [0,2,0,0,0,0|1,0,0]=3 10020 B11R0.40 CSCCCCOC[C@@H](O)CF 7a_100011217163_100015614560 [0,2,0,0,0,0|1,0,0]=3 10021 B11R0.40 CSCCCCOC[C@@H](O)CO 34a_100011217163_100009815848 [0,2,0,0,0,0|0,0,0]=2 10022 B11R0.40 CSCCCCOC[C@@H](O)CO 7a_100011217163_100009815848 [0,2,0,0,0,0|0,0,0]=2 10023 B11R0.40 CSCCOCCC[C@@H](C)CN 34a_100160569302_100000212216 [0,2,0,0,0,0|2,0,0]=4 10024 B11R0.40 C[C@@H](CN)CCCOCCCF 34a_100160569302_100011934791 [0,2,0,0,0,0|2,0,0]=4 10025 B11R0.40 C[C@@H](CN)CCCOCCCO 34a_100160569302_100000230001 [0,2,0,0,0,0|2,0,0]=4 10026 B11R0.40 C[C@@H](CO)CNCCCCCO 2230a_100000762737_100000059175 [0,2,0,0,0,0|1,0,0]=3 10027 B11R0.40 C[C@@H](CO)CNCCCCCO 34a_100000762737_100000059175 [0,2,0,0,0,0|1,0,0]=3 10028 B11R0.40 C[C@@H](CO)CNCCOCCO 2230a_100000211614_100000059175 [0,2,0,0,0,0|2,0,0]=4 10029 B11R0.40 C[C@@H](CO)CNCCOCCO 34a_100000211614_100000059175 [0,2,0,0,0,0|2,0,0]=4 10030 B11R0.40 C[C@@H](CO)CNCCSCCO 2230a_100011219999_100000059175 [0,2,0,0,0,0|2,0,0]=4 10031 B11R0.40 C[C@@H](CO)COCCCCCBr 34a_100000746331_100000059175 [0,2,0,0,0,0|1,0,0]=3 10032 B11R0.40 C[C@@H](CO)COCCCCCBr 7a_100000746331_100000059175 [0,2,0,0,0,0|1,0,0]=3 10033 B11R0.40 C[C@@H](CO)COCCCCCCl 34a_100000746330_100000059175 [0,2,0,0,0,0|1,0,0]=3 10034 B11R0.40 C[C@@H](CO)COCCCCCCl 7a_100000746330_100000059175 [0,2,0,0,0,0|1,0,0]=3 10035 B11R0.40 C[C@@H](CO)COCCCCCI 34a_200012148887_100000059175 [0,2,0,0,0,0|1,0,0]=3 10036 B11R0.40 C[C@@H](CO)COCCCCCI 7a_200012148887_100000059175 [0,2,0,0,0,0|1,0,0]=3 10037 B11R0.40 C[C@@H](CO)COCCCCCN 34a_100000762737_100000059175 [0,2,0,0,0,0|1,0,0]=3 10038 B11R0.40 C[C@@H](CO)COCCOCCBr 34a_100000692535_100000059175 [0,2,0,0,0,0|2,0,0]=4 10039 B11R0.40 C[C@@H](CO)COCCOCCBr 7a_100000692535_100000059175 [0,2,0,0,0,0|2,0,0]=4 10040 B11R0.40 C[C@@H](CO)COCCOCCCl 34a_100011215305_100000059175 [0,2,0,0,0,0|2,0,0]=4 10041 B11R0.40 C[C@@H](CO)COCCOCCCl 7a_100011215305_100000059175 [0,2,0,0,0,0|2,0,0]=4 10042 B11R0.40 C[C@@H](CO)COCCOCCF 34a_200015357709_100000059175 [0,2,0,0,0,0|2,0,0]=4 10043 B11R0.40 C[C@@H](CO)COCCOCCF 7a_200015357709_100000059175 [0,2,0,0,0,0|2,0,0]=4 10044 B11R0.40 C[C@@H](CO)COCCOCCI 34a_100012149058_100000059175 [0,2,0,0,0,0|2,0,0]=4 10045 B11R0.40 C[C@@H](CO)COCCOCCI 7a_100012149058_100000059175 [0,2,0,0,0,0|2,0,0]=4 10046 B11R0.40 C[C@@H](CO)COCCOCCN 34a_100000211614_100000059175 [0,2,0,0,0,0|2,0,0]=4 10047 B11R0.40 C[C@@H](CO)CSCCCCC#N 62a_100000059175_100000211819 [0,2,0,0,0,0|1,0,1]=4 10048 B11R0.40 C[C@@H](CO)CSCCCCC#N 62a_100011219923_100000059175 [0,2,0,0,0,0|1,0,1]=4 10049 B11R0.40 C[C@@H](CO)CSCCCCC=O 62a_100000059175_100000139335 [0,2,0,0,0,0|1,0,1]=4 10050 B11R0.40 C[C@@H](CO)CSCCCCC=O 62a_100000139335_100000059175 [0,2,0,0,0,0|1,0,1]=4 10051 B11R0.40 C[C@@H](CO)CSCCCCCF 62a_100000059175_100000729378 [0,2,0,0,0,0|1,0,0]=3 10052 B11R0.40 C[C@@H](CO)CSCCCCCF 62a_100000729378_100000059175 [0,2,0,0,0,0|1,0,0]=3 10053 B11R0.40 C[C@@H](CO)CSCCCCCO 62a_100000059175_100000746330 [0,2,0,0,0,0|1,0,0]=3 10054 B11R0.40 C[C@@H](CO)CSCCCCCO 62a_100000746330_100000059175 [0,2,0,0,0,0|1,0,0]=3 10055 B11R0.40 C[C@@H](CO)CSCCOCCO 62a_100000059175_100011215305 [0,2,0,0,0,0|2,0,0]=4 10056 B11R0.40 C[C@@H](CO)CSCCOCCO 62a_100011215305_100000059175 [0,2,0,0,0,0|2,0,0]=4 10057 B11R0.40 C[C@H](CO)NCCCCCC#N 2230a_100000737577_100009813376 [0,2,0,0,0,0|1,0,1]=4 10058 B11R0.40 C[C@H](CO)NCCCCCC=O 2230a_100000737577_100000139337 [0,2,0,0,0,0|1,0,1]=4 10059 B11R0.40 C[C@H](CO)NCCCCCCF 2230a_100000737577_100015922095 [0,2,0,0,0,0|1,0,0]=3 10060 B11R0.40 C[C@H](CO)NCCCCCCO 2230a_100000737577_100000766143 [0,2,0,0,0,0|1,0,0]=3 10061 B11R0.40 C[C@H](CO)SCCCCCC#N 62a_100009813376_100016084084 [0,2,0,0,0,0|1,0,1]=4 10062 B11R0.40 C[C@H](CO)SCCCCCC#N 62a_100016084084_100009813376 [0,2,0,0,0,0|1,0,1]=4 10063 B11R0.40 C[C@H](CO)SCCCCCC=O 62a_100000139337_100016084084 [0,2,0,0,0,0|1,0,1]=4 10064 B11R0.40 C[C@H](CO)SCCCCCC=O 62a_100016084084_100000139337 [0,2,0,0,0,0|1,0,1]=4 10065 B11R0.40 C[C@H](CO)SCCCCCCF 62a_100015922095_100016084084 [0,2,0,0,0,0|1,0,0]=3 10066 B11R0.40 C[C@H](CO)SCCCCCCF 62a_100016084084_100015922095 [0,2,0,0,0,0|1,0,0]=3 10067 B11R0.40 C[C@H](CO)SCCCCCCO 62a_100000766143_100016084084 [0,2,0,0,0,0|1,0,0]=3 10068 B11R0.40 C[C@H](CO)SCCCCCCO 62a_100016084084_100000766143 [0,2,0,0,0,0|1,0,0]=3 10069 B11R0.40 FCCCCCOCC(Cl)CCl 34a_100000033668_100000729378 [0,2,0,0,0,0|2,0,0]=4 10070 B11R0.40 N#CCCCCCCC(=O)CO 1458a_100000210174_100009813337 [0,2,0,0,0,0|0,0,2]=4 10071 B11R0.40 N#CCCCCNC[C@H](O)CO 2230a_100020644852_100000211819 [0,2,0,0,0,0|0,0,1]=3 10072 B11R0.40 N#CCCCCSCC(O)CO 62a_100011219619_100000211819 [0,2,0,0,0,0|0,0,1]=3 10073 B11R0.40 N#CCCCCSCC(O)CO 62a_100011219923_100011219619 [0,2,0,0,0,0|0,0,1]=3 10074 B11R0.40 N#CCCCCSC[C@@H](O)CF 62a_100011219923_100015614560 [0,2,0,0,0,0|1,0,1]=4 10075 B11R0.40 N#CCCCCSC[C@@H](O)CF 62a_100015614560_100000211819 [0,2,0,0,0,0|1,0,1]=4 10076 B11R0.40 N#CCCCCSC[C@@H](O)CO 62a_100009815848_100000211819 [0,2,0,0,0,0|0,0,1]=3 10077 B11R0.40 N#CCCCCSC[C@@H](O)CO 62a_100011219923_100009815848 [0,2,0,0,0,0|0,0,1]=3 10078 B11R0.40 N#CCOCCNC[C@H](O)CO 2230a_100020644852_200000047693 [0,2,0,0,0,0|1,0,1]=4 10079 B11R0.40 N#CCOCCSCC(O)CO 62a_100011219619_200000047693 [0,2,0,0,0,0|1,0,1]=4 10080 B11R0.40 N#CCOCCSCC(O)CO 62a_200000047693_100011219619 [0,2,0,0,0,0|1,0,1]=4 10081 B11R0.40 N#CCOCCSC[C@@H](O)CO 62a_100009815848_200000047693 [0,2,0,0,0,0|1,0,1]=4 10082 B11R0.40 N#CCOCCSC[C@@H](O)CO 62a_200000047693_100009815848 [0,2,0,0,0,0|1,0,1]=4 10083 B11R0.40 NCCCCCOCC(O)CO 34a_100000762737_100011219619 [0,2,0,0,0,0|0,0,0]=2 10084 B11R0.40 NCCCCCOC[C@@H](O)CF 34a_100000762737_100015614560 [0,2,0,0,0,0|1,0,0]=3 10085 B11R0.40 NCCCCCOC[C@@H](O)CO 34a_100000762737_100009815848 [0,2,0,0,0,0|0,0,0]=2 10086 B11R0.40 NCCOCCOCC(O)CO 34a_100000211614_100011219619 [0,2,0,0,0,0|1,0,0]=3 10087 B11R0.40 NCCOCCOC[C@@H](O)CF 34a_100000211614_100015614560 [0,2,0,0,0,0|2,0,0]=4 10088 B11R0.40 NCCOCCOC[C@@H](O)CO 34a_100000211614_100009815848 [0,2,0,0,0,0|1,0,0]=3 10089 B11R0.40 NC[C@@H](F)COCCCCCF 34a_100015665980_100000729378 [0,2,0,0,0,0|2,0,0]=4 10090 B11R0.40 NC[C@@H](F)COCCCCCO 34a_100015665980_100000746330 [0,2,0,0,0,0|2,0,0]=4 10091 B11R0.40 O=C(CO)CCCCCCCO 1458a_100000210174_100000760002 [0,2,0,0,0,0|0,0,2]=4 10092 B11R0.40 O=C(CO)NCCCCCCO 240690a_100000686447_100000210174 [0,2,0,0,0,0|0,0,2]=4 10093 B11R0.40 O=C(CO)NCCCCCCO 527a_100000686447_100000210174 [0,2,0,0,0,0|0,0,2]=4 10094 B11R0.40 O=CCCCCNC[C@H](O)CO 2230a_100020644852_100000139335 [0,2,0,0,0,0|0,0,1]=3 10095 B11R0.40 O=CCCCCSCC(O)CO 62a_100000139335_100011219619 [0,2,0,0,0,0|0,0,1]=3 10096 B11R0.40 O=CCCCCSCC(O)CO 62a_100011219619_100000139335 [0,2,0,0,0,0|0,0,1]=3 10097 B11R0.40 O=CCCCCSC[C@@H](O)CF 62a_100000139335_100015614560 [0,2,0,0,0,0|1,0,1]=4 10098 B11R0.40 O=CCCCCSC[C@@H](O)CF 62a_100015614560_100000139335 [0,2,0,0,0,0|1,0,1]=4 10099 B11R0.40 O=CCCCCSC[C@@H](O)CO 62a_100000139335_100009815848 [0,2,0,0,0,0|0,0,1]=3 10100 B11R0.40 O=CCCCCSC[C@@H](O)CO 62a_100009815848_100000139335 [0,2,0,0,0,0|0,0,1]=3 10101 B11R0.40 OCC(O)COCCCCCBr 34a_100000746331_100011219619 [0,2,0,0,0,0|0,0,0]=2 10102 B11R0.40 OCC(O)COCCCCCBr 7a_100000746331_100011219619 [0,2,0,0,0,0|0,0,0]=2 10103 B11R0.40 OCC(O)COCCCCCCl 34a_100000746330_100011219619 [0,2,0,0,0,0|0,0,0]=2 10104 B11R0.40 OCC(O)COCCCCCCl 7a_100000746330_100011219619 [0,2,0,0,0,0|0,0,0]=2 10105 B11R0.40 OCC(O)COCCCCCI 34a_200012148887_100011219619 [0,2,0,0,0,0|0,0,0]=2 10106 B11R0.40 OCC(O)COCCCCCI 7a_200012148887_100011219619 [0,2,0,0,0,0|0,0,0]=2 10107 B11R0.40 OCC(O)COCCOCCBr 34a_100000692535_100011219619 [0,2,0,0,0,0|1,0,0]=3 10108 B11R0.40 OCC(O)COCCOCCBr 7a_100000692535_100011219619 [0,2,0,0,0,0|1,0,0]=3 10109 B11R0.40 OCC(O)COCCOCCCl 34a_100011215305_100011219619 [0,2,0,0,0,0|1,0,0]=3 10110 B11R0.40 OCC(O)COCCOCCCl 7a_100011215305_100011219619 [0,2,0,0,0,0|1,0,0]=3 10111 B11R0.40 OCC(O)COCCOCCF 34a_200015357709_100011219619 [0,2,0,0,0,0|1,0,0]=3 10112 B11R0.40 OCC(O)COCCOCCF 7a_200015357709_100011219619 [0,2,0,0,0,0|1,0,0]=3 10113 B11R0.40 OCC(O)COCCOCCI 34a_100012149058_100011219619 [0,2,0,0,0,0|1,0,0]=3 10114 B11R0.40 OCC(O)COCCOCCI 7a_100012149058_100011219619 [0,2,0,0,0,0|1,0,0]=3 10115 B11R0.40 OCC(O)CSCCCCCF 62a_100000729378_100011219619 [0,2,0,0,0,0|0,0,0]=2 10116 B11R0.40 OCC(O)CSCCCCCF 62a_100011219619_100000729378 [0,2,0,0,0,0|0,0,0]=2 10117 B11R0.40 OCCCCCNCC(O)CO 2230a_100000762737_100011219619 [0,2,0,0,0,0|0,0,0]=2 10118 B11R0.40 OCCCCCNCC(O)CO 34a_100000762737_100011219619 [0,2,0,0,0,0|0,0,0]=2 10119 B11R0.40 OCCCCCNC[C@@H](F)CO 34a_100015665980_100000746330 [0,2,0,0,0,0|1,0,0]=3 10120 B11R0.40 OCCCCCNC[C@@H](O)CF 2230a_100000762737_100015614560 [0,2,0,0,0,0|1,0,0]=3 10121 B11R0.40 OCCCCCNC[C@@H](O)CF 34a_100000762737_100015614560 [0,2,0,0,0,0|1,0,0]=3 10122 B11R0.40 OCCCCCNC[C@@H](O)CO 2230a_100000762737_100009815848 [0,2,0,0,0,0|0,0,0]=2 10123 B11R0.40 OCCCCCNC[C@@H](O)CO 34a_100000762737_100009815848 [0,2,0,0,0,0|0,0,0]=2 10124 B11R0.40 OCCCCCNC[C@H](O)CO 2230a_100020644852_100000746330 [0,2,0,0,0,0|0,0,0]=2 10125 B11R0.40 OCCCCCOCC(Cl)CCl 34a_100000033668_100000746330 [0,2,0,0,0,0|2,0,0]=4 10126 B11R0.40 OCCCCCSCC(O)CO 62a_100000746330_100011219619 [0,2,0,0,0,0|0,0,0]=2 10127 B11R0.40 OCCCCCSCC(O)CO 62a_100011219619_100000746330 [0,2,0,0,0,0|0,0,0]=2 10128 B11R0.40 OCCCCCSC[C@@H](O)CF 62a_100000746330_100015614560 [0,2,0,0,0,0|1,0,0]=3 10129 B11R0.40 OCCCCCSC[C@@H](O)CF 62a_100015614560_100000746330 [0,2,0,0,0,0|1,0,0]=3 10130 B11R0.40 OCCCCCSC[C@@H](O)CO 62a_100000746330_100009815848 [0,2,0,0,0,0|0,0,0]=2 10131 B11R0.40 OCCCCCSC[C@@H](O)CO 62a_100009815848_100000746330 [0,2,0,0,0,0|0,0,0]=2 10132 B11R0.40 OCCOCCNCC(O)CO 2230a_100000211614_100011219619 [0,2,0,0,0,0|1,0,0]=3 10133 B11R0.40 OCCOCCNCC(O)CO 34a_100000211614_100011219619 [0,2,0,0,0,0|1,0,0]=3 10134 B11R0.40 OCCOCCNC[C@@H](F)CO 34a_100015665980_100000692535 [0,2,0,0,0,0|2,0,0]=4 10135 B11R0.40 OCCOCCNC[C@@H](O)CF 2230a_100000211614_100015614560 [0,2,0,0,0,0|2,0,0]=4 10136 B11R0.40 OCCOCCNC[C@@H](O)CF 34a_100000211614_100015614560 [0,2,0,0,0,0|2,0,0]=4 10137 B11R0.40 OCCOCCNC[C@@H](O)CO 2230a_100000211614_100009815848 [0,2,0,0,0,0|1,0,0]=3 10138 B11R0.40 OCCOCCNC[C@@H](O)CO 34a_100000211614_100009815848 [0,2,0,0,0,0|1,0,0]=3 10139 B11R0.40 OCCOCCNC[C@H](O)CO 2230a_100020644852_100011215305 [0,2,0,0,0,0|1,0,0]=3 10140 B11R0.40 OCCOCCSCC(O)CO 62a_100011215305_100011219619 [0,2,0,0,0,0|1,0,0]=3 10141 B11R0.40 OCCOCCSCC(O)CO 62a_100011219619_100011215305 [0,2,0,0,0,0|1,0,0]=3 10142 B11R0.40 OCCOCCSC[C@@H](O)CF 62a_100011215305_100015614560 [0,2,0,0,0,0|2,0,0]=4 10143 B11R0.40 OCCOCCSC[C@@H](O)CF 62a_100015614560_100011215305 [0,2,0,0,0,0|2,0,0]=4 10144 B11R0.40 OCCOCCSC[C@@H](O)CO 62a_100009815848_100011215305 [0,2,0,0,0,0|1,0,0]=3 10145 B11R0.40 OCCOCCSC[C@@H](O)CO 62a_100011215305_100009815848 [0,2,0,0,0,0|1,0,0]=3 10146 B11R0.40 OCCSCCNCC(O)CO 2230a_100011219999_100011219619 [0,2,0,0,0,0|1,0,0]=3 10147 B11R0.40 OCCSCCNC[C@@H](O)CF 2230a_100011219999_100015614560 [0,2,0,0,0,0|2,0,0]=4 10148 B11R0.40 OCCSCCNC[C@@H](O)CO 2230a_100011219999_100009815848 [0,2,0,0,0,0|1,0,0]=3 10149 B11R0.40 OC[C@@H](O)CNCCCCCF 2230a_100020644852_100000729378 [0,2,0,0,0,0|0,0,0]=2 10150 B11R0.40 OC[C@H](F)CNCCCCCF 34a_100015665980_100000729378 [0,2,0,0,0,0|1,0,0]=3 10151 B11R0.40 OC[C@H](O)COCCCCCBr 34a_100000746331_100009815848 [0,2,0,0,0,0|0,0,0]=2 10152 B11R0.40 OC[C@H](O)COCCCCCBr 7a_100000746331_100009815848 [0,2,0,0,0,0|0,0,0]=2 10153 B11R0.40 OC[C@H](O)COCCCCCCl 34a_100000746330_100009815848 [0,2,0,0,0,0|0,0,0]=2 10154 B11R0.40 OC[C@H](O)COCCCCCCl 7a_100000746330_100009815848 [0,2,0,0,0,0|0,0,0]=2 10155 B11R0.40 OC[C@H](O)COCCCCCI 34a_200012148887_100009815848 [0,2,0,0,0,0|0,0,0]=2 10156 B11R0.40 OC[C@H](O)COCCCCCI 7a_200012148887_100009815848 [0,2,0,0,0,0|0,0,0]=2 10157 B11R0.40 OC[C@H](O)COCCOCCBr 34a_100000692535_100009815848 [0,2,0,0,0,0|1,0,0]=3 10158 B11R0.40 OC[C@H](O)COCCOCCBr 7a_100000692535_100009815848 [0,2,0,0,0,0|1,0,0]=3 10159 B11R0.40 OC[C@H](O)COCCOCCCl 34a_100011215305_100009815848 [0,2,0,0,0,0|1,0,0]=3 10160 B11R0.40 OC[C@H](O)COCCOCCCl 7a_100011215305_100009815848 [0,2,0,0,0,0|1,0,0]=3 10161 B11R0.40 OC[C@H](O)COCCOCCF 34a_200015357709_100009815848 [0,2,0,0,0,0|1,0,0]=3 10162 B11R0.40 OC[C@H](O)COCCOCCF 7a_200015357709_100009815848 [0,2,0,0,0,0|1,0,0]=3 10163 B11R0.40 OC[C@H](O)COCCOCCI 34a_100012149058_100009815848 [0,2,0,0,0,0|1,0,0]=3 10164 B11R0.40 OC[C@H](O)COCCOCCI 7a_100012149058_100009815848 [0,2,0,0,0,0|1,0,0]=3 10165 B11R0.40 OC[C@H](O)CSCCCCCF 62a_100000729378_100009815848 [0,2,0,0,0,0|0,0,0]=2 10166 B11R0.40 OC[C@H](O)CSCCCCCF 62a_100009815848_100000729378 [0,2,0,0,0,0|0,0,0]=2 10167 B11R0.40 O[C@@H](CF)COCCCCCBr 34a_100000746331_100015614560 [0,2,0,0,0,0|1,0,0]=3 10168 B11R0.40 O[C@@H](CF)COCCCCCBr 7a_100000746331_100015614560 [0,2,0,0,0,0|1,0,0]=3 10169 B11R0.40 O[C@@H](CF)COCCCCCCl 34a_100000746330_100015614560 [0,2,0,0,0,0|1,0,0]=3 10170 B11R0.40 O[C@@H](CF)COCCCCCCl 7a_100000746330_100015614560 [0,2,0,0,0,0|1,0,0]=3 10171 B11R0.40 O[C@@H](CF)COCCCCCI 34a_200012148887_100015614560 [0,2,0,0,0,0|1,0,0]=3 10172 B11R0.40 O[C@@H](CF)COCCCCCI 7a_200012148887_100015614560 [0,2,0,0,0,0|1,0,0]=3 10173 B11R0.40 O[C@@H](CF)COCCOCCBr 34a_100000692535_100015614560 [0,2,0,0,0,0|2,0,0]=4 10174 B11R0.40 O[C@@H](CF)COCCOCCBr 7a_100000692535_100015614560 [0,2,0,0,0,0|2,0,0]=4 10175 B11R0.40 O[C@@H](CF)COCCOCCCl 34a_100011215305_100015614560 [0,2,0,0,0,0|2,0,0]=4 10176 B11R0.40 O[C@@H](CF)COCCOCCCl 7a_100011215305_100015614560 [0,2,0,0,0,0|2,0,0]=4 10177 B11R0.40 O[C@@H](CF)COCCOCCF 34a_200015357709_100015614560 [0,2,0,0,0,0|2,0,0]=4 10178 B11R0.40 O[C@@H](CF)COCCOCCF 7a_200015357709_100015614560 [0,2,0,0,0,0|2,0,0]=4 10179 B11R0.40 O[C@@H](CF)COCCOCCI 34a_100012149058_100015614560 [0,2,0,0,0,0|2,0,0]=4 10180 B11R0.40 O[C@@H](CF)COCCOCCI 7a_100012149058_100015614560 [0,2,0,0,0,0|2,0,0]=4 10181 B11R0.40 O[C@@H](CF)CSCCCCCF 62a_100000729378_100015614560 [0,2,0,0,0,0|1,0,0]=3 10182 B11R0.40 O[C@@H](CF)CSCCCCCF 62a_100015614560_100000729378 [0,2,0,0,0,0|1,0,0]=3 10183 B11R0.40 [N-]=[N+]=NCCCNCC(O)CO 2230a_100000744732_100011219619 [0,2,0,0,0,0|2,0,0]=4 10184 B11R0.40 [N-]=[N+]=NCCCNC[C@@H](O)CO 2230a_100000744732_100009815848 [0,2,0,0,0,0|2,0,0]=4 10185 B11R0.42 CC(C)C(O)CNCCCCF 2230a_100000759067_100000729493 [0,2,0,0,0,0|2,0,0]=4 10186 B11R0.42 CC(C)C(O)CNCCCCF 34a_100000759067_100000729493 [0,2,0,0,0,0|2,0,0]=4 10187 B11R0.42 CC(C)C(O)CNCCCCO 2230a_100000759067_100000210776 [0,2,0,0,0,0|2,0,0]=4 10188 B11R0.42 CC(C)C(O)CNCCCCO 34a_100000759067_100011216708 [0,2,0,0,0,0|2,0,0]=4 10189 B11R0.42 CCCCCCCC(=O)C(O)O 1458a_100000233687_100000210614 [0,2,0,0,0,0|0,0,2]=4 10190 B11R0.42 CCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210614 [0,2,0,0,0,0|0,0,2]=4 10191 B11R0.42 CCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210614 [0,2,0,0,0,0|0,0,2]=4 10192 B11R0.42 CCCCCCNC(=O)C(O)O 240690a_100000210581_100000233687 [0,2,0,0,0,0|0,0,2]=4 10193 B11R0.42 CCCCCCNC(=O)[C@@H](C)O 240690a_100000210581_100000717761 [0,2,0,0,0,0|0,0,2]=4 10194 B11R0.42 CCCCCCNC(=O)[C@H](C)O 1626a_100000210581_217856618621 [0,2,0,0,0,0|0,0,2]=4 10195 B11R0.42 CCCCCCNC(=O)[C@H](C)O 240690a_100000210581_217856618621 [0,2,0,0,0,0|0,0,2]=4 10196 B11R0.42 CCCCCCNC(C)C(C)C 2230a_100000211541_100000210314 [0,2,0,0,0,0|2,0,0]=4 10197 B11R0.42 CCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210757 [0,2,0,0,0,0|1,0,1]=4 10198 B11R0.42 CCCCCCOC(C)C(C)C 7a_100000748068_100000210314 [0,2,0,0,0,0|2,0,0]=4 10199 B11R0.42 CCCCCNCC(C)C(=O)O 269956a_100000749485_100000210326 [0,2,0,0,0,0|1,0,1]=4 10200 B11R0.42 CCCCCNCC(F)C(=O)O 269956a_100000084737_100000210326 [0,2,0,0,0,0|1,0,1]=4 10201 B11R0.42 CCCCCNCC(O)C(C)C 2230a_100000759067_100000210326 [0,2,0,0,0,0|1,0,0]=3 10202 B11R0.42 CCCCCNCC(O)C(C)C 34a_100000759067_100000718602 [0,2,0,0,0,0|1,0,0]=3 10203 B11R0.42 CCCCCOC[C@H](N)C(C)C 34a_100011830312_100000718602 [0,2,0,0,0,0|2,0,0]=4 10204 B11R0.42 CCCCOCCC(=O)C(O)O 1458a_100000233687_100000743108 [0,2,0,0,0,0|0,0,2]=4 10205 B11R0.42 CCCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100000743108 [0,2,0,0,0,0|0,0,2]=4 10206 B11R0.42 CCCCOCCC(=O)[C@H](C)O 1458a_217856618621_100000743108 [0,2,0,0,0,0|0,0,2]=4 10207 B11R0.42 CCCCOCCC(N)C(C)C 34a_100161115045_100000210210 [0,2,0,0,0,0|2,0,0]=4 10208 B11R0.42 CCOCCNCC(O)C(C)C 2230a_100000759067_100011215890 [0,2,0,0,0,0|2,0,0]=4 10209 B11R0.42 CCOCCNCC(O)C(C)C 34a_100000759067_100000210147 [0,2,0,0,0,0|2,0,0]=4 10210 B11R0.42 CCSCCNCC(O)C(C)C 2230a_100000759067_100000757381 [0,2,0,0,0,0|2,0,0]=4 10211 B11R0.42 CCSCCNCC(O)C(C)C 34a_100000759067_100000757381 [0,2,0,0,0,0|2,0,0]=4 10212 B11R0.42 COCCCNCC(O)C(C)C 2230a_100000759067_100000740836 [0,2,0,0,0,0|2,0,0]=4 10213 B11R0.42 COCCCNCC(O)C(C)C 34a_100000759067_100000740836 [0,2,0,0,0,0|2,0,0]=4 10214 B11R0.42 C[C@@H](O)C(=O)CCCCCCF 1458a_100000717761_100015922095 [0,2,0,0,0,0|0,0,2]=4 10215 B11R0.42 C[C@@H](O)C(=O)CCCCCCO 1458a_100000717761_100000766143 [0,2,0,0,0,0|0,0,2]=4 10216 B11R0.42 C[C@H](O)C(=O)CCCCCCF 1458a_217856618621_100015922095 [0,2,0,0,0,0|0,0,2]=4 10217 B11R0.42 C[C@H](O)C(=O)CCCCCCO 1458a_217856618621_100000766143 [0,2,0,0,0,0|0,0,2]=4 10218 B11R0.42 O=C(CCCCCCF)C(O)O 1458a_100000233687_100015922095 [0,2,0,0,0,0|0,0,2]=4 10219 B11R0.42 O=C(CCCCCCO)C(O)O 1458a_100000233687_100000766143 [0,2,0,0,0,0|0,0,2]=4 10220 B11R0.70 C=CC(O)CNC(C)CCCC 2230a_100000126638_100000730141 [0,2,0,0,0,0|1,0,1]=4 10221 B11R0.70 C=CC(O)COC(C)CCCC 34a_100000687866_100000730141 [0,2,0,0,0,0|1,0,1]=4 10222 B11R0.70 C=CC(O)COC(C)CCCC 7a_100000687866_100000730141 [0,2,0,0,0,0|1,0,1]=4 10223 B11R0.70 C=CC(O)CSC(C)CCCC 62a_100000730141_200011215066 [0,2,0,0,0,0|1,0,1]=4 10224 B11R0.70 C=CC(O)CSC(C)CCCC 62a_200011215066_100000730141 [0,2,0,0,0,0|1,0,1]=4 10225 B11R0.70 C=CCCC(C)OCC(O)CO 34a_100000765329_100011219619 [0,2,0,0,0,0|0,0,2]=4 10226 B11R0.70 C=CCCC(C)OCC(O)CO 7a_100000765329_100011219619 [0,2,0,0,0,0|0,0,2]=4 10227 B11R0.70 C=CCCC(C)OC[C@@H](O)CO 34a_100000765329_100009815848 [0,2,0,0,0,0|0,0,2]=4 10228 B11R0.70 C=CCCC(C)OC[C@@H](O)CO 7a_100000765329_100009815848 [0,2,0,0,0,0|0,0,2]=4 10229 B11R0.70 CC(CCCCl)OCC(O)CO 34a_200000718107_100011219619 [0,2,0,0,0,0|1,0,0]=3 10230 B11R0.70 CC(CCCCl)OCC(O)CO 7a_200000718107_100011219619 [0,2,0,0,0,0|1,0,0]=3 10231 B11R0.70 CC(CCCCl)OC[C@@H](C)CO 34a_200000718107_100000059175 [0,2,0,0,0,0|2,0,0]=4 10232 B11R0.70 CC(CCCCl)OC[C@@H](C)CO 7a_200000718107_100000059175 [0,2,0,0,0,0|2,0,0]=4 10233 B11R0.70 CC(CCCCl)OC[C@@H](O)CF 34a_200000718107_100015614560 [0,2,0,0,0,0|2,0,0]=4 10234 B11R0.70 CC(CCCCl)OC[C@@H](O)CF 7a_200000718107_100015614560 [0,2,0,0,0,0|2,0,0]=4 10235 B11R0.70 CC(CCCCl)OC[C@@H](O)CO 34a_200000718107_100009815848 [0,2,0,0,0,0|1,0,0]=3 10236 B11R0.70 CC(CCCCl)OC[C@@H](O)CO 7a_200000718107_100009815848 [0,2,0,0,0,0|1,0,0]=3 10237 B11R0.70 CC(CO)NC[C@H](C)CCCO 2230a_100160569302_100012180447 [0,2,0,0,0,0|2,0,0]=4 10238 B11R0.70 CC(CO)NC[C@H](C)CCCO 34a_100160569302_100012180447 [0,2,0,0,0,0|2,0,0]=4 10239 B11R0.70 CCC#CC(C)OCC(O)CO 34a_100000033903_100011219619 [0,2,0,0,0,0|0,0,2]=4 10240 B11R0.70 CCC#CC(C)OCC(O)CO 7a_100000033903_100011219619 [0,2,0,0,0,0|0,0,2]=4 10241 B11R0.70 CCC#CC(C)OC[C@@H](O)CO 34a_100000033903_100009815848 [0,2,0,0,0,0|0,0,2]=4 10242 B11R0.70 CCC#CC(C)OC[C@@H](O)CO 7a_100000033903_100009815848 [0,2,0,0,0,0|0,0,2]=4 10243 B11R0.70 CCC(O)CNC(C)CCOC 270004a_100011218483_100000742357 [0,2,0,0,0,0|2,0,0]=4 10244 B11R0.70 CCC(O)CNC(C)CCSC 270004a_100011218483_100011217047 [0,2,0,0,0,0|2,0,0]=4 10245 B11R0.70 CCC(O)COC(C)CCCCl 34a_200000718107_100011218378 [0,2,0,0,0,0|2,0,0]=4 10246 B11R0.70 CCC(O)COC(C)CCCCl 7a_200000718107_100011218378 [0,2,0,0,0,0|2,0,0]=4 10247 B11R0.70 CCCCC(=O)CCC(C)CC 1458a_100000701222_100000210211 [0,2,0,0,0,0|2,0,0]=4 10248 B11R0.70 CCCCC(=O)NCC(C)CO 240690a_100000744482_100000210183 [0,2,0,0,0,0|1,0,1]=4 10249 B11R0.70 CCCCC(=O)NCC(C)CO 527a_100000744482_100000210183 [0,2,0,0,0,0|1,0,1]=4 10250 B11R0.70 CCCCC(=O)NCC(O)CC 11a_100011218483_100000210183 [0,2,0,0,0,0|1,0,1]=4 10251 B11R0.70 CCCCC(=O)NCC(O)CC 240690a_100011218483_100000210183 [0,2,0,0,0,0|1,0,1]=4 10252 B11R0.70 CCCCC(=O)NCC(O)CC 527a_100011218483_100000210183 [0,2,0,0,0,0|1,0,1]=4 10253 B11R0.70 CCCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000210183 [0,2,0,0,0,0|1,0,1]=4 10254 B11R0.70 CCCCC(=O)NC[C@@H](F)CO 527a_100015665980_100000210183 [0,2,0,0,0,0|1,0,1]=4 10255 B11R0.70 CCCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000210183 [0,2,0,0,0,0|0,0,1]=3 10256 B11R0.70 CCCCC(=O)NC[C@H](O)CO 527a_100020644852_100000210183 [0,2,0,0,0,0|0,0,1]=3 10257 B11R0.70 CCCCC(C)COC(C)CC 34a_100011995851_100011215416 [0,2,0,0,0,0|2,0,0]=4 10258 B11R0.70 CCCCC(C)COC(C)CC 7a_100011995851_100000758301 [0,2,0,0,0,0|2,0,0]=4 10259 B11R0.70 CCCCC(C)COC(C)CO 34a_100011995851_100012180447 [0,2,0,0,0,0|1,0,0]=3 10260 B11R0.70 CCCCC(C)COC(C)CO 7a_100011995851_100012180447 [0,2,0,0,0,0|1,0,0]=3 10261 B11R0.70 CCCCC(C)NCC(C)CC 2230a_100000126638_100000748023 [0,2,0,0,0,0|2,0,0]=4 10262 B11R0.70 CCCCC(C)NCC(C)CC 2230a_100020588543_200011215066 [0,2,0,0,0,0|2,0,0]=4 10263 B11R0.70 CCCCC(C)NCC(C)CC 270004a_100000126638_100000243153 [0,2,0,0,0,0|2,0,0]=4 10264 B11R0.70 CCCCC(C)NCC(C)CC 270004a_100020588543_100000210087 [0,2,0,0,0,0|2,0,0]=4 10265 B11R0.70 CCCCC(C)NCC(C)CO 34a_100000744482_200011215066 [0,2,0,0,0,0|1,0,0]=3 10266 B11R0.70 CCCCC(C)NCC(O)CC 2230a_100000126638_100011218378 [0,2,0,0,0,0|1,0,0]=3 10267 B11R0.70 CCCCC(C)NCC(O)CC 2230a_100011218483_200011215066 [0,2,0,0,0,0|1,0,0]=3 10268 B11R0.70 CCCCC(C)NCC(O)CC 270004a_100011218483_100000210087 [0,2,0,0,0,0|1,0,0]=3 10269 B11R0.70 CCCCC(C)NCC(O)CO 2230a_100000126638_100011219619 [0,2,0,0,0,0|0,0,0]=2 10270 B11R0.70 CCCCC(C)NC[C@@H](C)CC 2230a_100000126638_100009816398 [0,2,0,0,0,0|2,0,0]=4 10271 B11R0.70 CCCCC(C)NC[C@@H](C)CO 2230a_100000126638_100000059175 [0,2,0,0,0,0|1,0,0]=3 10272 B11R0.70 CCCCC(C)NC[C@@H](F)CO 270004a_100015665980_100000210087 [0,2,0,0,0,0|1,0,0]=3 10273 B11R0.70 CCCCC(C)NC[C@@H](F)CO 34a_100015665980_200011215066 [0,2,0,0,0,0|1,0,0]=3 10274 B11R0.70 CCCCC(C)NC[C@@H](O)CF 2230a_100000126638_100015614560 [0,2,0,0,0,0|1,0,0]=3 10275 B11R0.70 CCCCC(C)NC[C@@H](O)CO 2230a_100000126638_100009815848 [0,2,0,0,0,0|0,0,0]=2 10276 B11R0.70 CCCCC(C)NC[C@H](O)CO 2230a_100020644852_200011215066 [0,2,0,0,0,0|0,0,0]=2 10277 B11R0.70 CCCCC(C)OCC(C)CC 34a_100000687866_100000748023 [0,2,0,0,0,0|2,0,0]=4 10278 B11R0.70 CCCCC(C)OCC(C)CC 7a_100000687866_100000748023 [0,2,0,0,0,0|2,0,0]=4 10279 B11R0.70 CCCCC(C)OCC(C)CN 34a_100000744482_200011215066 [0,2,0,0,0,0|2,0,0]=4 10280 B11R0.70 CCCCC(C)OCC(Cl)CCl 34a_100000033668_200011215066 [0,2,0,0,0,0|2,0,0]=4 10281 B11R0.70 CCCCC(C)OCC(O)CC 34a_100000687866_100011218378 [0,2,0,0,0,0|1,0,0]=3 10282 B11R0.70 CCCCC(C)OCC(O)CC 7a_100000687866_100011218378 [0,2,0,0,0,0|1,0,0]=3 10283 B11R0.70 CCCCC(C)OCC(O)CO 34a_100000687866_100011219619 [0,2,0,0,0,0|0,0,0]=2 10284 B11R0.70 CCCCC(C)OCC(O)CO 7a_100000687866_100011219619 [0,2,0,0,0,0|0,0,0]=2 10285 B11R0.70 CCCCC(C)OC[C@@H](C)CC 34a_100000687866_100009816398 [0,2,0,0,0,0|2,0,0]=4 10286 B11R0.70 CCCCC(C)OC[C@@H](C)CC 7a_100000687866_100009816398 [0,2,0,0,0,0|2,0,0]=4 10287 B11R0.70 CCCCC(C)OC[C@@H](C)CC 7a_100009816381_200011215066 [0,2,0,0,0,0|2,0,0]=4 10288 B11R0.70 CCCCC(C)OC[C@@H](C)CO 34a_100000687866_100000059175 [0,2,0,0,0,0|1,0,0]=3 10289 B11R0.70 CCCCC(C)OC[C@@H](C)CO 7a_100000687866_100000059175 [0,2,0,0,0,0|1,0,0]=3 10290 B11R0.70 CCCCC(C)OC[C@@H](O)CF 34a_100000687866_100015614560 [0,2,0,0,0,0|1,0,0]=3 10291 B11R0.70 CCCCC(C)OC[C@@H](O)CF 7a_100000687866_100015614560 [0,2,0,0,0,0|1,0,0]=3 10292 B11R0.70 CCCCC(C)OC[C@@H](O)CO 34a_100000687866_100009815848 [0,2,0,0,0,0|0,0,0]=2 10293 B11R0.70 CCCCC(C)OC[C@@H](O)CO 7a_100000687866_100009815848 [0,2,0,0,0,0|0,0,0]=2 10294 B11R0.70 CCCCC(C)OC[C@H](F)CN 34a_100015665980_200011215066 [0,2,0,0,0,0|2,0,0]=4 10295 B11R0.70 CCCCC(C)SCC(C)CC 62a_100000748023_200011215066 [0,2,0,0,0,0|2,0,0]=4 10296 B11R0.70 CCCCC(C)SCC(C)CC 62a_200011215066_100000748023 [0,2,0,0,0,0|2,0,0]=4 10297 B11R0.70 CCCCC(C)SCC(O)CC 62a_100011218378_200011215066 [0,2,0,0,0,0|1,0,0]=3 10298 B11R0.70 CCCCC(C)SCC(O)CC 62a_200011215066_100011218378 [0,2,0,0,0,0|1,0,0]=3 10299 B11R0.70 CCCCC(C)SCC(O)CO 62a_100011219619_200011215066 [0,2,0,0,0,0|0,0,0]=2 10300 B11R0.70 CCCCC(C)SCC(O)CO 62a_200011215066_100011219619 [0,2,0,0,0,0|0,0,0]=2 10301 B11R0.70 CCCCC(C)SC[C@@H](C)CC 62a_100009816398_200011215066 [0,2,0,0,0,0|2,0,0]=4 10302 B11R0.70 CCCCC(C)SC[C@@H](C)CC 62a_200011215066_100009816398 [0,2,0,0,0,0|2,0,0]=4 10303 B11R0.70 CCCCC(C)SC[C@@H](C)CO 62a_100000059175_200011215066 [0,2,0,0,0,0|1,0,0]=3 10304 B11R0.70 CCCCC(C)SC[C@@H](C)CO 62a_200011215066_100000059175 [0,2,0,0,0,0|1,0,0]=3 10305 B11R0.70 CCCCC(C)SC[C@@H](O)CF 62a_100015614560_200011215066 [0,2,0,0,0,0|1,0,0]=3 10306 B11R0.70 CCCCC(C)SC[C@@H](O)CF 62a_200011215066_100015614560 [0,2,0,0,0,0|1,0,0]=3 10307 B11R0.70 CCCCC(C)SC[C@@H](O)CO 62a_100009815848_200011215066 [0,2,0,0,0,0|0,0,0]=2 10308 B11R0.70 CCCCC(C)SC[C@@H](O)CO 62a_200011215066_100009815848 [0,2,0,0,0,0|0,0,0]=2 10309 B11R0.70 CCCC[C@H](N)COC(C)CC 34a_100011934283_100011215416 [0,2,0,0,0,0|2,0,0]=4 10310 B11R0.70 CCCC[C@H](N)COC(C)CO 34a_100011934283_100012180447 [0,2,0,0,0,0|1,0,0]=3 10311 B11R0.70 CCCNC(=O)CCC(O)CC 1626a_100020643023_203496584001 [0,2,0,0,0,0|1,0,1]=4 10312 B11R0.70 CCCNC(=O)CCC(O)CC 240690a_100020643023_203496584001 [0,2,0,0,0,0|1,0,1]=4 10313 B11R0.70 CCCNC(=O)NC[C@H](O)CO 2708a_100020643023_100020644852 [0,2,0,0,0,0|1,0,1]=4 10314 B11R0.70 CCCNC(=O)NC[C@H](O)CO 273464a_100020643023_100020644852 [0,2,0,0,0,0|1,0,1]=4 10315 B11R0.70 CCCNC(=O)NC[C@H](O)CO 273464a_100020644852_100020643023 [0,2,0,0,0,0|1,0,1]=4 10316 B11R0.70 CCCOC(C)CCC(C)CC 7a_200011216552_100000210303 [0,2,0,0,0,0|2,0,0]=4 10317 B11R0.70 CCCOC(C)CNC(C)CO 2230a_100015185124_100012180447 [0,2,0,0,0,0|2,0,0]=4 10318 B11R0.70 CCCOC(C)CNC(C)CO 34a_100015185124_100012180447 [0,2,0,0,0,0|2,0,0]=4 10319 B11R0.70 CCNCC(=O)NCC(O)CO 2230a_100015525214_200012027429 [0,2,0,0,0,0|1,0,1]=4 10320 B11R0.70 CCOCC(=O)NCC(O)CO 34a_100121572206_200012027429 [0,2,0,0,0,0|1,0,1]=4 10321 B11R0.70 CCOCC(=O)NC[C@H](O)CO 240690a_100020644852_100000211967 [0,2,0,0,0,0|1,0,1]=4 10322 B11R0.70 CCOCC(=O)NC[C@H](O)CO 527a_100020644852_100000211967 [0,2,0,0,0,0|1,0,1]=4 10323 B11R0.70 CCOCC(C)OCC(O)CC 34a_100000718985_100011218378 [0,2,0,0,0,0|2,0,0]=4 10324 B11R0.70 CCOCC(C)OCC(O)CC 7a_100000718985_100011218378 [0,2,0,0,0,0|2,0,0]=4 10325 B11R0.70 CCOCC(C)OCC(O)CO 34a_100000718985_100011219619 [0,2,0,0,0,0|1,0,0]=3 10326 B11R0.70 CCOCC(C)OCC(O)CO 7a_100000718985_100011219619 [0,2,0,0,0,0|1,0,0]=3 10327 B11R0.70 CCOCC(C)OC[C@@H](C)CO 34a_100000718985_100000059175 [0,2,0,0,0,0|2,0,0]=4 10328 B11R0.70 CCOCC(C)OC[C@@H](C)CO 7a_100000718985_100000059175 [0,2,0,0,0,0|2,0,0]=4 10329 B11R0.70 CCOCC(C)OC[C@@H](O)CF 34a_100000718985_100015614560 [0,2,0,0,0,0|2,0,0]=4 10330 B11R0.70 CCOCC(C)OC[C@@H](O)CF 7a_100000718985_100015614560 [0,2,0,0,0,0|2,0,0]=4 10331 B11R0.70 CCOCC(C)OC[C@@H](O)CO 34a_100000718985_100009815848 [0,2,0,0,0,0|1,0,0]=3 10332 B11R0.70 CCOCC(C)OC[C@@H](O)CO 7a_100000718985_100009815848 [0,2,0,0,0,0|1,0,0]=3 10333 B11R0.70 CCOCC(O)CNC(C)CO 2230a_102515437182_100012180447 [0,2,0,0,0,0|2,0,0]=4 10334 B11R0.70 CCOCC(O)CNC(C)CO 34a_102515437182_100012180447 [0,2,0,0,0,0|2,0,0]=4 10335 B11R0.70 CCSCC(=O)NCC(O)CO 62a_100000210202_200012027429 [0,2,0,0,0,0|1,0,1]=4 10336 B11R0.70 CCSCC(=O)NCC(O)CO 62a_200012027429_100000210202 [0,2,0,0,0,0|1,0,1]=4 10337 B11R0.70 CCSCC(=O)NC[C@H](O)CO 240690a_100020644852_100000230394 [0,2,0,0,0,0|1,0,1]=4 10338 B11R0.70 CCSCC(=O)NC[C@H](O)CO 527a_100020644852_100000230394 [0,2,0,0,0,0|1,0,1]=4 10339 B11R0.70 CCSCC(C)NCC(O)CC 270004a_100011218483_200011216171 [0,2,0,0,0,0|2,0,0]=4 10340 B11R0.70 CCSCC(C)NC[C@@H](F)CO 270004a_100015665980_200011216171 [0,2,0,0,0,0|2,0,0]=4 10341 B11R0.70 COCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000749529 [0,2,0,0,0,0|1,0,1]=4 10342 B11R0.70 COCCC(=O)NC[C@H](O)CO 527a_100020644852_100000749529 [0,2,0,0,0,0|1,0,1]=4 10343 B11R0.70 COCCC(C)NC[C@@H](F)CO 270004a_100015665980_100000742357 [0,2,0,0,0,0|2,0,0]=4 10344 B11R0.70 CSCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000174002 [0,2,0,0,0,0|1,0,1]=4 10345 B11R0.70 CSCCC(=O)NC[C@H](O)CO 527a_100020644852_100000174002 [0,2,0,0,0,0|1,0,1]=4 10346 B11R0.70 CSCCC(C)NC[C@@H](F)CO 270004a_100015665980_100011217047 [0,2,0,0,0,0|2,0,0]=4 10347 B11R0.70 CSCC[C@H](N)COC(C)CO 34a_100011827619_100012180447 [0,2,0,0,0,0|2,0,0]=4 10348 B11R0.111 C#CC(O)CCCCCC(=O)C 1458a_100000070787_200010408556 [0,2,0,0,0,0|1,0,1]=4 10349 B11R0.111 C#CC(O)CCCCCN(C)C 2230a_100102631434_200010408556 [0,2,0,0,0,0|1,0,1]=4 10350 B11R0.111 C#CC(O)CCCCCN(C)C 269982a_100102631434_200010408556 [0,2,0,0,0,0|1,0,1]=4 10351 B11R0.111 C=C(C)CCNCCC(C)CO 2230a_106354213184_100000730704 [0,2,0,0,0,0|1,0,1]=4 10352 B11R0.111 C=C(C)CCNCCC(C)CO 34a_106354213184_100000730704 [0,2,0,0,0,0|1,0,1]=4 10353 B11R0.111 C=CC(O)CNCCCC(C)C 2230a_200000737386_100000730141 [0,2,0,0,0,0|1,0,1]=4 10354 B11R0.111 C=CC(O)CNCCCC(C)C 34a_200000737386_100000730141 [0,2,0,0,0,0|1,0,1]=4 10355 B11R0.111 C=CC(O)COCCCC(C)C 34a_100000210774_100000730141 [0,2,0,0,0,0|1,0,1]=4 10356 B11R0.111 C=CC(O)COCCCC(C)C 7a_100000210774_100000730141 [0,2,0,0,0,0|1,0,1]=4 10357 B11R0.111 C=CC(O)CSCCCC(C)C 62a_100000730141_100011214892 [0,2,0,0,0,0|1,0,1]=4 10358 B11R0.111 C=CC(O)CSCCCC(C)C 62a_100011214892_100000730141 [0,2,0,0,0,0|1,0,1]=4 10359 B11R0.111 C=CC(O)CSCCCC(C)O 62a_100000730141_200000718107 [0,2,0,0,0,0|1,0,1]=4 10360 B11R0.111 C=CC(O)CSCCCC(C)O 62a_200000718107_100000730141 [0,2,0,0,0,0|1,0,1]=4 10361 B11R0.111 CC(=CCCNC[C@H](O)CO)C 2230a_100020644852_100011217483 [0,2,0,0,0,0|0,0,2]=4 10362 B11R0.111 CC(=CCCSCC(O)CO)C 62a_100011217483_100011219619 [0,2,0,0,0,0|0,0,2]=4 10363 B11R0.111 CC(=CCCSCC(O)CO)C 62a_100011219619_100011217483 [0,2,0,0,0,0|0,0,2]=4 10364 B11R0.111 CC(=CCCSC[C@@H](O)CO)C 62a_100009815848_100011217483 [0,2,0,0,0,0|0,0,2]=4 10365 B11R0.111 CC(=CCCSC[C@@H](O)CO)C 62a_100011217483_100009815848 [0,2,0,0,0,0|0,0,2]=4 10366 B11R0.111 CC(=O)CCCCSC(C)CO 62a_100012180447_100000735457 [0,2,0,0,0,0|1,0,1]=4 10367 B11R0.111 CC(=O)CCCCS[C@H](C)CO 62a_100000735457_100016084084 [0,2,0,0,0,0|1,0,1]=4 10368 B11R0.111 CC(=O)CCCCS[C@H](C)CO 62a_100016084084_100000735457 [0,2,0,0,0,0|1,0,1]=4 10369 B11R0.111 CC(=O)CCCNCC(C)CO 34a_100000744482_100000685027 [0,2,0,0,0,0|1,0,1]=4 10370 B11R0.111 CC(=O)CCCNC[C@@H](F)CO 34a_100015665980_100000685027 [0,2,0,0,0,0|1,0,1]=4 10371 B11R0.111 CC(=O)CCCOCC(O)CO 34a_100000759063_100011219619 [0,2,0,0,0,0|0,0,1]=3 10372 B11R0.111 CC(=O)CCCOCC(O)CO 7a_100000759063_100011219619 [0,2,0,0,0,0|0,0,1]=3 10373 B11R0.111 CC(=O)CCCOC[C@@H](C)CO 34a_100000759063_100000059175 [0,2,0,0,0,0|1,0,1]=4 10374 B11R0.111 CC(=O)CCCOC[C@@H](C)CO 7a_100000759063_100000059175 [0,2,0,0,0,0|1,0,1]=4 10375 B11R0.111 CC(=O)CCCOC[C@@H](O)CF 34a_100000759063_100015614560 [0,2,0,0,0,0|1,0,1]=4 10376 B11R0.111 CC(=O)CCCOC[C@@H](O)CF 7a_100000759063_100015614560 [0,2,0,0,0,0|1,0,1]=4 10377 B11R0.111 CC(=O)CCCOC[C@@H](O)CO 34a_100000759063_100009815848 [0,2,0,0,0,0|0,0,1]=3 10378 B11R0.111 CC(=O)CCCOC[C@@H](O)CO 7a_100000759063_100009815848 [0,2,0,0,0,0|0,0,1]=3 10379 B11R0.111 CC(=O)CCCSCC(O)CO 62a_100011215641_100011219619 [0,2,0,0,0,0|0,0,1]=3 10380 B11R0.111 CC(=O)CCCSCC(O)CO 62a_100011219619_100011215641 [0,2,0,0,0,0|0,0,1]=3 10381 B11R0.111 CC(=O)CCCSC[C@@H](C)CO 62a_100000059175_100011215641 [0,2,0,0,0,0|1,0,1]=4 10382 B11R0.111 CC(=O)CCCSC[C@@H](C)CO 62a_100011215641_100000059175 [0,2,0,0,0,0|1,0,1]=4 10383 B11R0.111 CC(=O)CCCSC[C@@H](O)CF 62a_100011215641_100015614560 [0,2,0,0,0,0|1,0,1]=4 10384 B11R0.111 CC(=O)CCCSC[C@@H](O)CF 62a_100015614560_100011215641 [0,2,0,0,0,0|1,0,1]=4 10385 B11R0.111 CC(=O)CCCSC[C@@H](O)CO 62a_100009815848_100011215641 [0,2,0,0,0,0|0,0,1]=3 10386 B11R0.111 CC(=O)CCCSC[C@@H](O)CO 62a_100011215641_100009815848 [0,2,0,0,0,0|0,0,1]=3 10387 B11R0.111 CC(=O)NCCNCC(O)CO 2230a_100000209853_100011219619 [0,2,0,0,0,0|1,0,1]=4 10388 B11R0.111 CC(=O)NCCNC[C@@H](O)CO 2230a_100000209853_100009815848 [0,2,0,0,0,0|1,0,1]=4 10389 B11R0.111 CC(=O)NCCNC[C@H](O)CO 2230a_100020644852_100000189650 [0,2,0,0,0,0|1,0,1]=4 10390 B11R0.111 CC(=O)NCCOCC(O)CO 34a_100000158858_100011219619 [0,2,0,0,0,0|1,0,1]=4 10391 B11R0.111 CC(=O)NCCOC[C@@H](O)CO 34a_100000158858_100009815848 [0,2,0,0,0,0|1,0,1]=4 10392 B11R0.111 CC(=O)NCCSCC(O)CO 62a_100000189650_100011219619 [0,2,0,0,0,0|1,0,1]=4 10393 B11R0.111 CC(=O)NCCSCC(O)CO 62a_100011219619_100000189650 [0,2,0,0,0,0|1,0,1]=4 10394 B11R0.111 CC(=O)NCCSC[C@@H](O)CO 62a_100000189650_100009815848 [0,2,0,0,0,0|1,0,1]=4 10395 B11R0.111 CC(=O)NCCSC[C@@H](O)CO 62a_100009815848_100000189650 [0,2,0,0,0,0|1,0,1]=4 10396 B11R0.111 CC(=O)OCCSCC(O)CO 62a_100009814007_100011219619 [0,2,0,0,0,0|1,0,1]=4 10397 B11R0.111 CC(=O)OCCSCC(O)CO 62a_100011219619_100009814007 [0,2,0,0,0,0|1,0,1]=4 10398 B11R0.111 CC(=O)OCCSC[C@@H](O)CO 62a_100009814007_100009815848 [0,2,0,0,0,0|1,0,1]=4 10399 B11R0.111 CC(=O)OCCSC[C@@H](O)CO 62a_100009815848_100009814007 [0,2,0,0,0,0|1,0,1]=4 10400 B11R0.111 CC(C)CCCCCC(=O)CO 1458a_100000210174_100000210682 [0,2,0,0,0,0|0,0,2]=4 10401 B11R0.111 CC(C)CCCCN[C@H](C)CO 2230a_100000737577_100011216152 [0,2,0,0,0,0|1,0,0]=3 10402 B11R0.111 CC(C)CCCCOC(C)CF 34a_100016041109_100011216152 [0,2,0,0,0,0|2,0,0]=4 10403 B11R0.111 CC(C)CCCCOC(C)CF 7a_100016041109_100011216152 [0,2,0,0,0,0|2,0,0]=4 10404 B11R0.111 CC(C)CCCCOC(C)CN 34a_100000210904_100011216152 [0,2,0,0,0,0|2,0,0]=4 10405 B11R0.111 CC(C)CCCCOC(C)CO 34a_100011214890_100012180447 [0,2,0,0,0,0|1,0,0]=3 10406 B11R0.111 CC(C)CCCCOC(C)CO 7a_100011214890_100012180447 [0,2,0,0,0,0|1,0,0]=3 10407 B11R0.111 CC(C)CCCCSC(C)CO 62a_100012180447_100011216152 [0,2,0,0,0,0|1,0,0]=3 10408 B11R0.111 CC(C)CCCCS[C@H](C)CO 62a_100011216152_100016084084 [0,2,0,0,0,0|1,0,0]=3 10409 B11R0.111 CC(C)CCCCS[C@H](C)CO 62a_100016084084_100011216152 [0,2,0,0,0,0|1,0,0]=3 10410 B11R0.111 CC(C)CCCNCC(C)CO 34a_100000744482_100011214892 [0,2,0,0,0,0|1,0,0]=3 10411 B11R0.111 CC(C)CCCNCC(O)CO 2230a_200000737386_100011219619 [0,2,0,0,0,0|0,0,0]=2 10412 B11R0.111 CC(C)CCCNCC(O)CO 34a_200000737386_100011219619 [0,2,0,0,0,0|0,0,0]=2 10413 B11R0.111 CC(C)CCCNC[C@@H](C)CO 2230a_200000737386_100000059175 [0,2,0,0,0,0|1,0,0]=3 10414 B11R0.111 CC(C)CCCNC[C@@H](C)CO 34a_200000737386_100000059175 [0,2,0,0,0,0|1,0,0]=3 10415 B11R0.111 CC(C)CCCNC[C@@H](F)CO 34a_100015665980_100011214892 [0,2,0,0,0,0|1,0,0]=3 10416 B11R0.111 CC(C)CCCNC[C@@H](O)CF 2230a_200000737386_100015614560 [0,2,0,0,0,0|1,0,0]=3 10417 B11R0.111 CC(C)CCCNC[C@@H](O)CF 34a_200000737386_100015614560 [0,2,0,0,0,0|1,0,0]=3 10418 B11R0.111 CC(C)CCCNC[C@@H](O)CO 2230a_200000737386_100009815848 [0,2,0,0,0,0|0,0,0]=2 10419 B11R0.111 CC(C)CCCNC[C@@H](O)CO 34a_200000737386_100009815848 [0,2,0,0,0,0|0,0,0]=2 10420 B11R0.111 CC(C)CCCNC[C@H](O)CO 2230a_100020644852_100011214892 [0,2,0,0,0,0|0,0,0]=2 10421 B11R0.111 CC(C)CCCOCC(C)CN 34a_100000744482_100011214892 [0,2,0,0,0,0|2,0,0]=4 10422 B11R0.111 CC(C)CCCOCC(Cl)CCl 34a_100000033668_100011214892 [0,2,0,0,0,0|2,0,0]=4 10423 B11R0.111 CC(C)CCCOCC(O)CO 34a_100000210774_100011219619 [0,2,0,0,0,0|0,0,0]=2 10424 B11R0.111 CC(C)CCCOCC(O)CO 7a_100000210774_100011219619 [0,2,0,0,0,0|0,0,0]=2 10425 B11R0.111 CC(C)CCCOC[C@@H](C)CO 34a_100000210774_100000059175 [0,2,0,0,0,0|1,0,0]=3 10426 B11R0.111 CC(C)CCCOC[C@@H](C)CO 7a_100000210774_100000059175 [0,2,0,0,0,0|1,0,0]=3 10427 B11R0.111 CC(C)CCCOC[C@@H](O)CF 34a_100000210774_100015614560 [0,2,0,0,0,0|1,0,0]=3 10428 B11R0.111 CC(C)CCCOC[C@@H](O)CF 7a_100000210774_100015614560 [0,2,0,0,0,0|1,0,0]=3 10429 B11R0.111 CC(C)CCCOC[C@@H](O)CO 34a_100000210774_100009815848 [0,2,0,0,0,0|0,0,0]=2 10430 B11R0.111 CC(C)CCCOC[C@@H](O)CO 7a_100000210774_100009815848 [0,2,0,0,0,0|0,0,0]=2 10431 B11R0.111 CC(C)CCCOC[C@H](F)CN 34a_100015665980_100011214892 [0,2,0,0,0,0|2,0,0]=4 10432 B11R0.111 CC(C)CCCSCC(O)CO 62a_100011214892_100011219619 [0,2,0,0,0,0|0,0,0]=2 10433 B11R0.111 CC(C)CCCSCC(O)CO 62a_100011219619_100011214892 [0,2,0,0,0,0|0,0,0]=2 10434 B11R0.111 CC(C)CCCSC[C@@H](C)CO 62a_100000059175_100011214892 [0,2,0,0,0,0|1,0,0]=3 10435 B11R0.111 CC(C)CCCSC[C@@H](C)CO 62a_100011214892_100000059175 [0,2,0,0,0,0|1,0,0]=3 10436 B11R0.111 CC(C)CCCSC[C@@H](O)CF 62a_100011214892_100015614560 [0,2,0,0,0,0|1,0,0]=3 10437 B11R0.111 CC(C)CCCSC[C@@H](O)CF 62a_100015614560_100011214892 [0,2,0,0,0,0|1,0,0]=3 10438 B11R0.111 CC(C)CCCSC[C@@H](O)CO 62a_100009815848_100011214892 [0,2,0,0,0,0|0,0,0]=2 10439 B11R0.111 CC(C)CCCSC[C@@H](O)CO 62a_100011214892_100009815848 [0,2,0,0,0,0|0,0,0]=2 10440 B11R0.111 CC(C)CCNCCC(C)CO 2230a_106354213184_100000210312 [0,2,0,0,0,0|1,0,0]=3 10441 B11R0.111 CC(C)CCNCCC(C)CO 269862a_106354213184_100000185833 [0,2,0,0,0,0|1,0,0]=3 10442 B11R0.111 CC(C)CCNCCC(C)CO 34a_106354213184_100000210312 [0,2,0,0,0,0|1,0,0]=3 10443 B11R0.111 CC(C)CNCCOC(C)CO 34a_100015185251_100012180447 [0,2,0,0,0,0|2,0,0]=4 10444 B11R0.111 CC(C)COCCC[C@@H](C)CN 34a_100160569302_100000210624 [0,2,0,0,0,0|2,0,0]=4 10445 B11R0.111 CC(C)COCCOC(C)CO 34a_100000703358_100012180447 [0,2,0,0,0,0|2,0,0]=4 10446 B11R0.111 CC(C)COCCOC(C)CO 7a_100000703358_100012180447 [0,2,0,0,0,0|2,0,0]=4 10447 B11R0.111 CC(C)CSCCOC(C)CO 34a_200000230437_100012180447 [0,2,0,0,0,0|2,0,0]=4 10448 B11R0.111 CC(C)CSCCOC(C)CO 7a_200000230437_100012180447 [0,2,0,0,0,0|2,0,0]=4 10449 B11R0.111 CC(C)NCCCOC(C)CO 34a_100000182298_100012180447 [0,2,0,0,0,0|2,0,0]=4 10450 B11R0.111 CC(C)NCCOCC(O)CO 34a_100000224655_100011219619 [0,2,0,0,0,0|1,0,0]=3 10451 B11R0.111 CC(C)NCCOC[C@@H](C)CO 34a_100000224655_100000059175 [0,2,0,0,0,0|2,0,0]=4 10452 B11R0.111 CC(C)NCCOC[C@@H](O)CF 34a_100000224655_100015614560 [0,2,0,0,0,0|2,0,0]=4 10453 B11R0.111 CC(C)NCCOC[C@@H](O)CO 34a_100000224655_100009815848 [0,2,0,0,0,0|1,0,0]=3 10454 B11R0.111 CC(C)OCCNCC(O)CO 2230a_100000701111_100011219619 [0,2,0,0,0,0|1,0,0]=3 10455 B11R0.111 CC(C)OCCNCC(O)CO 34a_100000701111_100011219619 [0,2,0,0,0,0|1,0,0]=3 10456 B11R0.111 CC(C)OCCNC[C@@H](C)CO 2230a_100000701111_100000059175 [0,2,0,0,0,0|2,0,0]=4 10457 B11R0.111 CC(C)OCCNC[C@@H](C)CO 34a_100000701111_100000059175 [0,2,0,0,0,0|2,0,0]=4 10458 B11R0.111 CC(C)OCCNC[C@@H](F)CO 34a_100015665980_100000211751 [0,2,0,0,0,0|2,0,0]=4 10459 B11R0.111 CC(C)OCCNC[C@@H](O)CF 2230a_100000701111_100015614560 [0,2,0,0,0,0|2,0,0]=4 10460 B11R0.111 CC(C)OCCNC[C@@H](O)CF 34a_100000701111_100015614560 [0,2,0,0,0,0|2,0,0]=4 10461 B11R0.111 CC(C)OCCNC[C@@H](O)CO 2230a_100000701111_100009815848 [0,2,0,0,0,0|1,0,0]=3 10462 B11R0.111 CC(C)OCCNC[C@@H](O)CO 34a_100000701111_100009815848 [0,2,0,0,0,0|1,0,0]=3 10463 B11R0.111 CC(C)OCCNC[C@H](O)CO 2230a_100020644852_100000211751 [0,2,0,0,0,0|1,0,0]=3 10464 B11R0.111 CC(C)OCCOCC(O)CO 34a_100000211219_100011219619 [0,2,0,0,0,0|1,0,0]=3 10465 B11R0.111 CC(C)OCCOCC(O)CO 7a_100000211219_100011219619 [0,2,0,0,0,0|1,0,0]=3 10466 B11R0.111 CC(C)OCCOC[C@@H](C)CO 34a_100000211219_100000059175 [0,2,0,0,0,0|2,0,0]=4 10467 B11R0.111 CC(C)OCCOC[C@@H](C)CO 7a_100000211219_100000059175 [0,2,0,0,0,0|2,0,0]=4 10468 B11R0.111 CC(C)OCCOC[C@@H](O)CF 34a_100000211219_100015614560 [0,2,0,0,0,0|2,0,0]=4 10469 B11R0.111 CC(C)OCCOC[C@@H](O)CF 7a_100000211219_100015614560 [0,2,0,0,0,0|2,0,0]=4 10470 B11R0.111 CC(C)OCCOC[C@@H](O)CO 34a_100000211219_100009815848 [0,2,0,0,0,0|1,0,0]=3 10471 B11R0.111 CC(C)OCCOC[C@@H](O)CO 7a_100000211219_100009815848 [0,2,0,0,0,0|1,0,0]=3 10472 B11R0.111 CC(C)OCCSCC(O)CO 62a_100000211751_100011219619 [0,2,0,0,0,0|1,0,0]=3 10473 B11R0.111 CC(C)OCCSCC(O)CO 62a_100011219619_100000211751 [0,2,0,0,0,0|1,0,0]=3 10474 B11R0.111 CC(C)OCCSC[C@@H](C)CO 62a_100000059175_100000211751 [0,2,0,0,0,0|2,0,0]=4 10475 B11R0.111 CC(C)OCCSC[C@@H](C)CO 62a_100000211751_100000059175 [0,2,0,0,0,0|2,0,0]=4 10476 B11R0.111 CC(C)OCCSC[C@@H](O)CF 62a_100000211751_100015614560 [0,2,0,0,0,0|2,0,0]=4 10477 B11R0.111 CC(C)OCCSC[C@@H](O)CF 62a_100015614560_100000211751 [0,2,0,0,0,0|2,0,0]=4 10478 B11R0.111 CC(C)OCCSC[C@@H](O)CO 62a_100000211751_100009815848 [0,2,0,0,0,0|1,0,0]=3 10479 B11R0.111 CC(C)OCCSC[C@@H](O)CO 62a_100009815848_100000211751 [0,2,0,0,0,0|1,0,0]=3 10480 B11R0.111 CC(C)SCCNCC(O)CO 2230a_100000731138_100011219619 [0,2,0,0,0,0|1,0,0]=3 10481 B11R0.111 CC(C)SCCNCC(O)CO 34a_100000731138_100011219619 [0,2,0,0,0,0|1,0,0]=3 10482 B11R0.111 CC(C)SCCNC[C@@H](C)CO 2230a_100000731138_100000059175 [0,2,0,0,0,0|2,0,0]=4 10483 B11R0.111 CC(C)SCCNC[C@@H](C)CO 34a_100000731138_100000059175 [0,2,0,0,0,0|2,0,0]=4 10484 B11R0.111 CC(C)SCCNC[C@@H](F)CO 34a_100015665980_100000730970 [0,2,0,0,0,0|2,0,0]=4 10485 B11R0.111 CC(C)SCCNC[C@@H](O)CF 2230a_100000731138_100015614560 [0,2,0,0,0,0|2,0,0]=4 10486 B11R0.111 CC(C)SCCNC[C@@H](O)CF 34a_100000731138_100015614560 [0,2,0,0,0,0|2,0,0]=4 10487 B11R0.111 CC(C)SCCNC[C@@H](O)CO 2230a_100000731138_100009815848 [0,2,0,0,0,0|1,0,0]=3 10488 B11R0.111 CC(C)SCCNC[C@@H](O)CO 34a_100000731138_100009815848 [0,2,0,0,0,0|1,0,0]=3 10489 B11R0.111 CC(C)SCCNC[C@H](O)CO 2230a_100020644852_100000730970 [0,2,0,0,0,0|1,0,0]=3 10490 B11R0.111 CC(C)SCCOCC(O)CO 34a_200011212901_100011219619 [0,2,0,0,0,0|1,0,0]=3 10491 B11R0.111 CC(C)SCCOCC(O)CO 7a_200011212901_100011219619 [0,2,0,0,0,0|1,0,0]=3 10492 B11R0.111 CC(C)SCCOC[C@@H](C)CO 34a_200011212901_100000059175 [0,2,0,0,0,0|2,0,0]=4 10493 B11R0.111 CC(C)SCCOC[C@@H](C)CO 7a_200011212901_100000059175 [0,2,0,0,0,0|2,0,0]=4 10494 B11R0.111 CC(C)SCCOC[C@@H](O)CF 34a_200011212901_100015614560 [0,2,0,0,0,0|2,0,0]=4 10495 B11R0.111 CC(C)SCCOC[C@@H](O)CF 7a_200011212901_100015614560 [0,2,0,0,0,0|2,0,0]=4 10496 B11R0.111 CC(C)SCCOC[C@@H](O)CO 34a_200011212901_100009815848 [0,2,0,0,0,0|1,0,0]=3 10497 B11R0.111 CC(C)SCCOC[C@@H](O)CO 7a_200011212901_100009815848 [0,2,0,0,0,0|1,0,0]=3 10498 B11R0.111 CC(C)SCCSCC(O)CO 62a_100000730970_100011219619 [0,2,0,0,0,0|1,0,0]=3 10499 B11R0.111 CC(C)SCCSCC(O)CO 62a_100011219619_100000730970 [0,2,0,0,0,0|1,0,0]=3 10500 B11R0.111 CC(C)SCCSC[C@@H](C)CO 62a_100000059175_100000730970 [0,2,0,0,0,0|2,0,0]=4 10501 B11R0.111 CC(C)SCCSC[C@@H](C)CO 62a_100000730970_100000059175 [0,2,0,0,0,0|2,0,0]=4 10502 B11R0.111 CC(C)SCCSC[C@@H](O)CF 62a_100000730970_100015614560 [0,2,0,0,0,0|2,0,0]=4 10503 B11R0.111 CC(C)SCCSC[C@@H](O)CF 62a_100015614560_100000730970 [0,2,0,0,0,0|2,0,0]=4 10504 B11R0.111 CC(C)SCCSC[C@@H](O)CO 62a_100000730970_100009815848 [0,2,0,0,0,0|1,0,0]=3 10505 B11R0.111 CC(C)SCCSC[C@@H](O)CO 62a_100009815848_100000730970 [0,2,0,0,0,0|1,0,0]=3 10506 B11R0.111 CC(CO)CCNCOC(C)C 2230a_106354213184_100000709892 [0,2,0,0,0,0|2,0,0]=4 10507 B11R0.111 CC(CO)CCNCOC(C)C 34a_106354213184_100000709892 [0,2,0,0,0,0|2,0,0]=4 10508 B11R0.111 CC(CO)CNCCOC(C)C 34a_100000744482_100000211751 [0,2,0,0,0,0|2,0,0]=4 10509 B11R0.111 CC(CO)CNCCSC(C)C 34a_100000744482_100000730970 [0,2,0,0,0,0|2,0,0]=4 10510 B11R0.111 CC(CO)NCCCOC(C)C 2230a_100000737246_100012180447 [0,2,0,0,0,0|2,0,0]=4 10511 B11R0.111 CC(CO)NCCCOC(C)C 34a_100000737246_100012180447 [0,2,0,0,0,0|2,0,0]=4 10512 B11R0.111 CC(CO)SCCCCN(C)C 62a_100012180447_100000690147 [0,2,0,0,0,0|2,0,0]=4 10513 B11R0.111 CC(O)CCCNCC(C)CO 34a_100000744482_200000718107 [0,2,0,0,0,0|1,0,0]=3 10514 B11R0.111 CC(O)CCCNC[C@@H](F)CO 34a_100015665980_200000718107 [0,2,0,0,0,0|1,0,0]=3 10515 B11R0.111 CC(O)CCCNC[C@H](O)CO 2230a_100020644852_200000718107 [0,2,0,0,0,0|0,0,0]=2 10516 B11R0.111 CC(O)CCCOCC(C)CN 34a_100000744482_200000718107 [0,2,0,0,0,0|2,0,0]=4 10517 B11R0.111 CC(O)CCCOCC(Cl)CCl 34a_100000033668_200000718107 [0,2,0,0,0,0|2,0,0]=4 10518 B11R0.111 CC(O)CCCOC[C@H](F)CN 34a_100015665980_200000718107 [0,2,0,0,0,0|2,0,0]=4 10519 B11R0.111 CC(O)CCCSCC(O)CO 62a_100011219619_200000718107 [0,2,0,0,0,0|0,0,0]=2 10520 B11R0.111 CC(O)CCCSCC(O)CO 62a_200000718107_100011219619 [0,2,0,0,0,0|0,0,0]=2 10521 B11R0.111 CC(O)CCCSC[C@@H](C)CO 62a_100000059175_200000718107 [0,2,0,0,0,0|1,0,0]=3 10522 B11R0.111 CC(O)CCCSC[C@@H](C)CO 62a_200000718107_100000059175 [0,2,0,0,0,0|1,0,0]=3 10523 B11R0.111 CC(O)CCCSC[C@@H](O)CF 62a_100015614560_200000718107 [0,2,0,0,0,0|1,0,0]=3 10524 B11R0.111 CC(O)CCCSC[C@@H](O)CF 62a_200000718107_100015614560 [0,2,0,0,0,0|1,0,0]=3 10525 B11R0.111 CC(O)CCCSC[C@@H](O)CO 62a_100009815848_200000718107 [0,2,0,0,0,0|0,0,0]=2 10526 B11R0.111 CC(O)CCCSC[C@@H](O)CO 62a_200000718107_100009815848 [0,2,0,0,0,0|0,0,0]=2 10527 B11R0.111 CC(O)CCNCCC(C)CO 2230a_106354213184_100012276601 [0,2,0,0,0,0|1,0,0]=3 10528 B11R0.111 CC(O)CCNCCC(C)CO 34a_106354213184_100012276601 [0,2,0,0,0,0|1,0,0]=3 10529 B11R0.111 CC(O)COCCC[C@@H](C)CN 34a_100160569302_100011218427 [0,2,0,0,0,0|2,0,0]=4 10530 B11R0.111 CCC(C)CCCOCC(C)C 7a_100011216074_100000210760 [0,2,0,0,0,0|2,0,0]=4 10531 B11R0.111 CCC(C)CCCOCC(C)O 7a_100011216074_100011218427 [0,2,0,0,0,0|2,0,0]=4 10532 B11R0.111 CCC(C)CCCOC[C@@H](C)O 7a_100011216074_100009817552 [0,2,0,0,0,0|2,0,0]=4 10533 B11R0.111 CCC(C)CCNCCC(C)C 2230a_100020591266_100000210312 [0,2,0,0,0,0|2,0,0]=4 10534 B11R0.111 CCC(C)CCNCCC(C)C 269862a_100020591266_100000185833 [0,2,0,0,0,0|2,0,0]=4 10535 B11R0.111 CCC(C)CCNCCC(C)O 2230a_100020591266_100012276601 [0,2,0,0,0,0|2,0,0]=4 10536 B11R0.111 CCC(C)CCOCCC(C)C 7a_100011215188_100000210626 [0,2,0,0,0,0|2,0,0]=4 10537 B11R0.111 CCC(C)CCOCCC(C)O 7a_100011215188_100012276601 [0,2,0,0,0,0|2,0,0]=4 10538 B11R0.111 CCC(C)CNCCCC(C)C 2230a_100020588543_100011214892 [0,2,0,0,0,0|2,0,0]=4 10539 B11R0.111 CCC(C)CNCCCC(C)C 2230a_200000737386_100000748023 [0,2,0,0,0,0|2,0,0]=4 10540 B11R0.111 CCC(C)CNCCCC(C)C 270004a_200000737386_100000243153 [0,2,0,0,0,0|2,0,0]=4 10541 B11R0.111 CCC(C)CNCCCC(C)C 34a_200000737386_100000748023 [0,2,0,0,0,0|2,0,0]=4 10542 B11R0.111 CCC(C)CNCCCC(C)O 2230a_100020588543_200000718107 [0,2,0,0,0,0|2,0,0]=4 10543 B11R0.111 CCC(C)COCCCC(C)C 34a_100000210774_100000748023 [0,2,0,0,0,0|2,0,0]=4 10544 B11R0.111 CCC(C)COCCCC(C)C 7a_100000210774_100000748023 [0,2,0,0,0,0|2,0,0]=4 10545 B11R0.111 CCC(C)CSCCCC(C)C 62a_100000748023_100011214892 [0,2,0,0,0,0|2,0,0]=4 10546 B11R0.111 CCC(C)CSCCCC(C)C 62a_100011214892_100000748023 [0,2,0,0,0,0|2,0,0]=4 10547 B11R0.111 CCC(C)CSCCCC(C)O 62a_100000748023_200000718107 [0,2,0,0,0,0|2,0,0]=4 10548 B11R0.111 CCC(C)CSCCCC(C)O 62a_200000718107_100000748023 [0,2,0,0,0,0|2,0,0]=4 10549 B11R0.111 CCC(C)NCCCCC(C)C 2230a_100000209981_100011216152 [0,2,0,0,0,0|2,0,0]=4 10550 B11R0.111 CCC(C)OCCCCC(C)C 34a_100011214890_100011215416 [0,2,0,0,0,0|2,0,0]=4 10551 B11R0.111 CCC(C)OCCCCC(C)C 7a_100000210228_100011216152 [0,2,0,0,0,0|2,0,0]=4 10552 B11R0.111 CCC(C)OCCCCC(C)C 7a_100011214890_100000758301 [0,2,0,0,0,0|2,0,0]=4 10553 B11R0.111 CCC(C)SCCCCC(C)C 62a_100000758301_100011216152 [0,2,0,0,0,0|2,0,0]=4 10554 B11R0.111 CCC(C)SCCCCC(C)C 62a_100011216152_100000758301 [0,2,0,0,0,0|2,0,0]=4 10555 B11R0.111 CCC(O)CNCCCC(C)C 2230a_100011218483_100011214892 [0,2,0,0,0,0|1,0,0]=3 10556 B11R0.111 CCC(O)CNCCCC(C)C 2230a_200000737386_100011218378 [0,2,0,0,0,0|1,0,0]=3 10557 B11R0.111 CCC(O)CNCCCC(C)C 34a_200000737386_100011218378 [0,2,0,0,0,0|1,0,0]=3 10558 B11R0.111 CCC(O)CNCCCC(C)O 2230a_100011218483_200000718107 [0,2,0,0,0,0|1,0,0]=3 10559 B11R0.111 CCC(O)CNCCCS(=O)C 2230a_200000753449_100011218378 [0,2,0,0,0,0|2,0,0]=4 10560 B11R0.111 CCC(O)CNCCOC(C)C 2230a_100000701111_100011218378 [0,2,0,0,0,0|2,0,0]=4 10561 B11R0.111 CCC(O)CNCCOC(C)C 2230a_100011218483_100000211751 [0,2,0,0,0,0|2,0,0]=4 10562 B11R0.111 CCC(O)CNCCOC(C)C 34a_100000701111_100011218378 [0,2,0,0,0,0|2,0,0]=4 10563 B11R0.111 CCC(O)CNCCSC(C)C 2230a_100000731138_100011218378 [0,2,0,0,0,0|2,0,0]=4 10564 B11R0.111 CCC(O)CNCCSC(C)C 2230a_100011218483_100000730970 [0,2,0,0,0,0|2,0,0]=4 10565 B11R0.111 CCC(O)CNCCSC(C)C 34a_100000731138_100011218378 [0,2,0,0,0,0|2,0,0]=4 10566 B11R0.111 CCC(O)COCCCC(=O)C 34a_100000759063_100011218378 [0,2,0,0,0,0|1,0,1]=4 10567 B11R0.111 CCC(O)COCCCC(=O)C 7a_100000759063_100011218378 [0,2,0,0,0,0|1,0,1]=4 10568 B11R0.111 CCC(O)COCCCC(C)C 34a_100000210774_100011218378 [0,2,0,0,0,0|1,0,0]=3 10569 B11R0.111 CCC(O)COCCCC(C)C 7a_100000210774_100011218378 [0,2,0,0,0,0|1,0,0]=3 10570 B11R0.111 CCC(O)COCCNC(C)C 34a_100000224655_100011218378 [0,2,0,0,0,0|2,0,0]=4 10571 B11R0.111 CCC(O)COCCOC(C)C 34a_100000211219_100011218378 [0,2,0,0,0,0|2,0,0]=4 10572 B11R0.111 CCC(O)COCCOC(C)C 7a_100000211219_100011218378 [0,2,0,0,0,0|2,0,0]=4 10573 B11R0.111 CCC(O)COCCSC(C)C 34a_200011212901_100011218378 [0,2,0,0,0,0|2,0,0]=4 10574 B11R0.111 CCC(O)COCCSC(C)C 7a_200011212901_100011218378 [0,2,0,0,0,0|2,0,0]=4 10575 B11R0.111 CCC(O)CSCCCC(=O)C 62a_100011215641_100011218378 [0,2,0,0,0,0|1,0,1]=4 10576 B11R0.111 CCC(O)CSCCCC(=O)C 62a_100011218378_100011215641 [0,2,0,0,0,0|1,0,1]=4 10577 B11R0.111 CCC(O)CSCCCC(C)C 62a_100011214892_100011218378 [0,2,0,0,0,0|1,0,0]=3 10578 B11R0.111 CCC(O)CSCCCC(C)C 62a_100011218378_100011214892 [0,2,0,0,0,0|1,0,0]=3 10579 B11R0.111 CCC(O)CSCCCC(C)O 62a_100011218378_200000718107 [0,2,0,0,0,0|1,0,0]=3 10580 B11R0.111 CCC(O)CSCCCC(C)O 62a_200000718107_100011218378 [0,2,0,0,0,0|1,0,0]=3 10581 B11R0.111 CCC(O)CSCCCN(C)C 62a_100011218378_100000757444 [0,2,0,0,0,0|2,0,0]=4 10582 B11R0.111 CCC(O)CSCCOC(C)C 62a_100000211751_100011218378 [0,2,0,0,0,0|2,0,0]=4 10583 B11R0.111 CCC(O)CSCCOC(C)C 62a_100011218378_100000211751 [0,2,0,0,0,0|2,0,0]=4 10584 B11R0.111 CCC(O)CSCCSC(C)C 62a_100000730970_100011218378 [0,2,0,0,0,0|2,0,0]=4 10585 B11R0.111 CCC(O)CSCCSC(C)C 62a_100011218378_100000730970 [0,2,0,0,0,0|2,0,0]=4 10586 B11R0.111 CC[C@H](C)CNCCCC(C)C 2230a_200000737386_100009816398 [0,2,0,0,0,0|2,0,0]=4 10587 B11R0.111 CC[C@H](C)CNCCCC(C)C 34a_200000737386_100009816398 [0,2,0,0,0,0|2,0,0]=4 10588 B11R0.111 CC[C@H](C)COCCCC(C)C 34a_100000210774_100009816398 [0,2,0,0,0,0|2,0,0]=4 10589 B11R0.111 CC[C@H](C)COCCCC(C)C 7a_100000210774_100009816398 [0,2,0,0,0,0|2,0,0]=4 10590 B11R0.111 CC[C@H](C)COCCCC(C)C 7a_100009816381_100011214892 [0,2,0,0,0,0|2,0,0]=4 10591 B11R0.111 CC[C@H](C)COCCCC(C)O 7a_100009816381_200000718107 [0,2,0,0,0,0|2,0,0]=4 10592 B11R0.111 CC[C@H](C)CSCCCC(C)C 62a_100009816398_100011214892 [0,2,0,0,0,0|2,0,0]=4 10593 B11R0.111 CC[C@H](C)CSCCCC(C)C 62a_100011214892_100009816398 [0,2,0,0,0,0|2,0,0]=4 10594 B11R0.111 CC[C@H](C)CSCCCC(C)O 62a_100009816398_200000718107 [0,2,0,0,0,0|2,0,0]=4 10595 B11R0.111 CC[C@H](C)CSCCCC(C)O 62a_200000718107_100009816398 [0,2,0,0,0,0|2,0,0]=4 10596 B11R0.111 CN(C)CCCSCC(O)CO 62a_100011219619_100000757444 [0,2,0,0,0,0|1,0,0]=3 10597 B11R0.111 CN(C)CCCSC[C@@H](O)CF 62a_100015614560_100000757444 [0,2,0,0,0,0|2,0,0]=4 10598 B11R0.111 CN(C)CCCSC[C@@H](O)CO 62a_100009815848_100000757444 [0,2,0,0,0,0|1,0,0]=3 10599 B11R0.111 CS(=O)CCCNCC(O)CO 2230a_200000753449_100011219619 [0,2,0,0,0,0|1,0,0]=3 10600 B11R0.111 CS(=O)CCCNC[C@@H](O)CF 2230a_200000753449_100015614560 [0,2,0,0,0,0|2,0,0]=4 10601 B11R0.111 CS(=O)CCCNC[C@@H](O)CO 2230a_200000753449_100009815848 [0,2,0,0,0,0|1,0,0]=3 10602 B11R0.111 C[C@@H](CN)CCCOC[C@@H](C)O 34a_100160569302_100009817552 [0,2,0,0,0,0|2,0,0]=4 10603 B11R0.111 C[C@@H](CO)CNCCCS(=O)C 2230a_200000753449_100000059175 [0,2,0,0,0,0|2,0,0]=4 10604 B11R0.111 C[C@@H](CO)CSCCCN(C)C 62a_100000059175_100000757444 [0,2,0,0,0,0|2,0,0]=4 10605 B11R0.111 C[C@H](CO)SCCCCN(C)C 62a_100016084084_100000690147 [0,2,0,0,0,0|2,0,0]=4 10606 B11R0.111 NC(=O)CCCNCC(O)CO 34a_100000739312_100011219619 [0,2,0,0,0,0|1,0,1]=4 10607 B11R0.111 NC(=O)CCCNC[C@@H](O)CO 34a_100000739312_100009815848 [0,2,0,0,0,0|1,0,1]=4 10608 B11R0.111 NC(=O)CCCSCC(O)CO 62a_100011219619_100102525003 [0,2,0,0,0,0|1,0,1]=4 10609 B11R0.111 NC(=O)CCCSCC(O)CO 62a_100102525003_100011219619 [0,2,0,0,0,0|1,0,1]=4 10610 B11R0.111 NC(=O)CCCSC[C@@H](O)CO 62a_100009815848_100102525003 [0,2,0,0,0,0|1,0,1]=4 10611 B11R0.111 NC(=O)CCCSC[C@@H](O)CO 62a_100102525003_100009815848 [0,2,0,0,0,0|1,0,1]=4 10612 B11R0.111 O=[N+]([O-])CCCOCC(O)CO 34a_200000037920_100011219619 [0,2,0,0,0,0|2,0,0]=4 10613 B11R0.111 O=[N+]([O-])CCCOC[C@@H](O)CO 34a_200000037920_100009815848 [0,2,0,0,0,0|2,0,0]=4 10614 B11R0.139 CCCCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210326 [0,2,0,0,0,0|1,0,1]=4 10615 B11R0.139 CCCCCC(C)C(=O)C(O)O 1458a_100000233687_200011218191 [0,2,0,0,0,0|0,0,2]=4 10616 B11R0.139 CCCCCC(C)C(=O)[C@@H](C)O 1458a_100000717761_200011218191 [0,2,0,0,0,0|0,0,2]=4 10617 B11R0.139 CCCCCC(C)C(=O)[C@H](C)O 1458a_217856618621_200011218191 [0,2,0,0,0,0|0,0,2]=4 10618 B11R0.141 CCCC(C)NCC(O)C(C)C 2230a_100000759067_100000766640 [0,2,0,0,0,0|2,0,0]=4 10619 B11R0.141 CCCC(C)NCC(O)C(C)C 270004a_100000759067_100000211909 [0,2,0,0,0,0|2,0,0]=4 10620 B11R0.141 CCCC(C)NCC(O)C(C)C 34a_100000759067_100000766640 [0,2,0,0,0,0|2,0,0]=4 10621 B11R0.151 CCCCCCC(=O)C(C)(C)O 1458a_100000242741_100000210757 [0,2,0,0,0,0|0,0,2]=4 10622 B11R0.151 CCCCCNC(C)C(C)(C)O 269862a_100000209983_100000747739 [0,2,0,0,0,0|2,0,0]=4 10623 B11R0.151 CCCCCN[C@@H](C)C(C)(C)O 2230a_100025708725_100000210326 [0,2,0,0,0,0|2,0,0]=4 10624 B11R0.151 CCCCNCC(O)C(F)(F)F 2230a_100000743304_100000210211 [0,2,0,0,0,0|2,0,0]=4 10625 B11R0.151 CCCCNCC(O)C(F)(F)F 34a_100000743304_100000210210 [0,2,0,0,0,0|2,0,0]=4 10626 B11R0.151 CCCCNCC(O)C(F)(F)F 7a_106832991798_100000185343 [0,2,0,0,0,0|2,0,0]=4 10627 B11R0.151 CCCCOCC(O)C(F)(F)F 34a_100000210227_100000185343 [0,2,0,0,0,0|2,0,0]=4 10628 B11R0.151 CCCCOCC(O)C(F)(F)F 7a_100000210227_100000185343 [0,2,0,0,0,0|2,0,0]=4 10629 B11R0.151 CCCCSCC(O)C(F)(F)F 62a_100000185343_100000210210 [0,2,0,0,0,0|2,0,0]=4 10630 B11R0.151 CCCCSCC(O)C(F)(F)F 62a_100000210211_100000185343 [0,2,0,0,0,0|2,0,0]=4 10631 B11R0.75 CCCCCN(CC)C(C)CO 2230a_100000731049_100000210326 [0,2,0,0,0,0|2,0,0]=4 10632 B11R0.75 CCCCCN(CC)C(C)CO 269982a_100000731049_100000210215 [0,2,0,0,0,0|2,0,0]=4 10633 B11R0.187 CCCC(=O)CC(=O)C(O)CO 1458a_100011215603_100000747444 [0,2,0,0,0,0|0,0,2]=4 10634 B11R0.187 CCCC(C)CC(=O)C(O)CC 1458a_100011196387_100011216630 [0,2,0,0,0,0|1,0,1]=4 10635 B11R0.187 CCCC(C)CC(=O)C(O)CO 1458a_100011215603_100011216630 [0,2,0,0,0,0|0,0,1]=3 10636 B11R0.187 CCCC(C)CN(C)C(C)CO 2230a_100000693034_100011216630 [0,2,0,0,0,0|2,0,0]=4 10637 B11R0.187 CCCC(C)CN(C)C(C)CO 269982a_100000693034_100011216630 [0,2,0,0,0,0|2,0,0]=4 10638 B11R0.187 CCCC(C)CN(C)C(C)CO 270004a_100000693034_100000243154 [0,2,0,0,0,0|2,0,0]=4 10639 B11R0.187 CCCC(C)NC(=O)C(O)CO 240690a_100000741246_100011215603 [0,2,0,0,0,0|1,0,1]=4 10640 B11R0.100 CC(C)(CCBr)OCC(O)CO 7a_100000702414_100011219619 [0,2,0,0,0,0|2,0,0]=4 10641 B11R0.100 CC(C)(CCBr)OC[C@@H](O)CO 7a_100000702414_100009815848 [0,2,0,0,0,0|2,0,0]=4 10642 B11R0.100 CCCC(C)(C)COC(C)CO 7a_100011995695_100012180447 [0,2,0,0,0,0|2,0,0]=4 10643 B11R0.100 CCCC(C)(C)OCC(O)CC 7a_100000748436_100011218378 [0,2,0,0,0,0|2,0,0]=4 10644 B11R0.100 CCCC(C)(C)OCC(O)CO 7a_100000748436_100011219619 [0,2,0,0,0,0|1,0,0]=3 10645 B11R0.100 CCCC(C)(C)OC[C@@H](C)CO 7a_100000748436_100000059175 [0,2,0,0,0,0|2,0,0]=4 10646 B11R0.100 CCCC(C)(C)OC[C@@H](O)CF 7a_100000748436_100015614560 [0,2,0,0,0,0|2,0,0]=4 10647 B11R0.100 CCCC(C)(C)OC[C@@H](O)CO 7a_100000748436_100009815848 [0,2,0,0,0,0|1,0,0]=3 10648 B11R0.100 CCCS(=O)(=O)NC[C@H](O)CO 270084a_100020644852_100000211391 [0,2,0,0,0,0|2,0,0]=4 10649 B11R0.100 COCC(C)(C)NCC(O)CO 2230a_100000752728_100011219619 [0,2,0,0,0,0|2,0,0]=4 10650 B11R0.100 COCC(C)(C)NC[C@@H](O)CO 2230a_100000752728_100009815848 [0,2,0,0,0,0|2,0,0]=4 10651 B11R0.100 CSCC(C)(C)NCC(O)CO 2230a_100000759623_100011219619 [0,2,0,0,0,0|2,0,0]=4 10652 B11R0.100 CSCC(C)(C)NCC(O)CO 7a_100000759623_100011219619 [0,2,0,0,0,0|2,0,0]=4 10653 B11R0.100 CSCC(C)(C)NC[C@@H](O)CO 2230a_100000759623_100009815848 [0,2,0,0,0,0|2,0,0]=4 10654 B11R0.100 CSCC(C)(C)NC[C@@H](O)CO 7a_100000759623_100009815848 [0,2,0,0,0,0|2,0,0]=4 10655 B11R0.134 C#CC(CCC)OCC(O)CC 34a_200011217317_100011218378 [0,2,0,0,0,0|2,0,0]=4 10656 B11R0.134 C#CC(CCC)OCC(O)CC 7a_200011217317_100011218378 [0,2,0,0,0,0|2,0,0]=4 10657 B11R0.134 C#CC(CCC)OCC(O)CO 34a_200011217317_100011219619 [0,2,0,0,0,0|1,0,0]=3 10658 B11R0.134 C#CC(CCC)OCC(O)CO 7a_200011217317_100011219619 [0,2,0,0,0,0|1,0,0]=3 10659 B11R0.134 C#CC(CCC)OC[C@@H](C)CO 34a_200011217317_100000059175 [0,2,0,0,0,0|2,0,0]=4 10660 B11R0.134 C#CC(CCC)OC[C@@H](C)CO 7a_200011217317_100000059175 [0,2,0,0,0,0|2,0,0]=4 10661 B11R0.134 C#CC(CCC)OC[C@@H](O)CF 34a_200011217317_100015614560 [0,2,0,0,0,0|2,0,0]=4 10662 B11R0.134 C#CC(CCC)OC[C@@H](O)CF 7a_200011217317_100015614560 [0,2,0,0,0,0|2,0,0]=4 10663 B11R0.134 C#CC(CCC)OC[C@@H](O)CO 34a_200011217317_100009815848 [0,2,0,0,0,0|1,0,0]=3 10664 B11R0.134 C#CC(CCC)OC[C@@H](O)CO 7a_200011217317_100009815848 [0,2,0,0,0,0|1,0,0]=3 10665 B11R0.134 C=CC(CCC)OCC(O)CC 34a_100011216692_100011218378 [0,2,0,0,0,0|2,0,0]=4 10666 B11R0.134 C=CC(CCC)OCC(O)CC 7a_100011216692_100011218378 [0,2,0,0,0,0|2,0,0]=4 10667 B11R0.134 C=CC(CCC)OCC(O)CO 34a_100011216692_100011219619 [0,2,0,0,0,0|1,0,0]=3 10668 B11R0.134 C=CC(CCC)OCC(O)CO 7a_100011216692_100011219619 [0,2,0,0,0,0|1,0,0]=3 10669 B11R0.134 C=CC(CCC)OC[C@@H](C)CO 34a_100011216692_100000059175 [0,2,0,0,0,0|2,0,0]=4 10670 B11R0.134 C=CC(CCC)OC[C@@H](C)CO 7a_100011216692_100000059175 [0,2,0,0,0,0|2,0,0]=4 10671 B11R0.134 C=CC(CCC)OC[C@@H](O)CF 34a_100011216692_100015614560 [0,2,0,0,0,0|2,0,0]=4 10672 B11R0.134 C=CC(CCC)OC[C@@H](O)CF 7a_100011216692_100015614560 [0,2,0,0,0,0|2,0,0]=4 10673 B11R0.134 C=CC(CCC)OC[C@@H](O)CO 34a_100011216692_100009815848 [0,2,0,0,0,0|1,0,0]=3 10674 B11R0.134 C=CC(CCC)OC[C@@H](O)CO 7a_100011216692_100009815848 [0,2,0,0,0,0|1,0,0]=3 10675 B11R0.134 CCC(COC)NCC(O)CO 2230a_100000757820_100011219619 [0,2,0,0,0,0|2,0,0]=4 10676 B11R0.134 CCC(COC)NC[C@@H](O)CO 2230a_100000757820_100009815848 [0,2,0,0,0,0|2,0,0]=4 10677 B11R0.134 CCC(COC)OCC(O)CO 7a_200011214946_100011219619 [0,2,0,0,0,0|2,0,0]=4 10678 B11R0.134 CCC(COC)OC[C@@H](O)CO 7a_200011214946_100009815848 [0,2,0,0,0,0|2,0,0]=4 10679 B11R0.134 CCCC(C#N)OCC(O)CC 34a_100000686963_100011218378 [0,2,0,0,0,0|2,0,0]=4 10680 B11R0.134 CCCC(C#N)OCC(O)CC 7a_100000686963_100011218378 [0,2,0,0,0,0|2,0,0]=4 10681 B11R0.134 CCCC(C#N)OCC(O)CO 34a_100000686963_100011219619 [0,2,0,0,0,0|1,0,0]=3 10682 B11R0.134 CCCC(C#N)OCC(O)CO 7a_100000686963_100011219619 [0,2,0,0,0,0|1,0,0]=3 10683 B11R0.134 CCCC(C#N)OC[C@@H](C)CO 34a_100000686963_100000059175 [0,2,0,0,0,0|2,0,0]=4 10684 B11R0.134 CCCC(C#N)OC[C@@H](C)CO 7a_100000686963_100000059175 [0,2,0,0,0,0|2,0,0]=4 10685 B11R0.134 CCCC(C#N)OC[C@@H](O)CF 34a_100000686963_100015614560 [0,2,0,0,0,0|2,0,0]=4 10686 B11R0.134 CCCC(C#N)OC[C@@H](O)CF 7a_100000686963_100015614560 [0,2,0,0,0,0|2,0,0]=4 10687 B11R0.134 CCCC(C#N)OC[C@@H](O)CO 34a_100000686963_100009815848 [0,2,0,0,0,0|1,0,0]=3 10688 B11R0.134 CCCC(C#N)OC[C@@H](O)CO 7a_100000686963_100009815848 [0,2,0,0,0,0|1,0,0]=3 10689 B11R0.134 CCCC(CC)NCC(O)CC 2230a_100000747048_100011218378 [0,2,0,0,0,0|2,0,0]=4 10690 B11R0.134 CCCC(CC)NCC(O)CC 270004a_100011218483_100000687865 [0,2,0,0,0,0|2,0,0]=4 10691 B11R0.134 CCCC(CC)NCC(O)CO 2230a_100000747048_100011219619 [0,2,0,0,0,0|1,0,0]=3 10692 B11R0.134 CCCC(CC)NC[C@@H](C)CO 2230a_100000747048_100000059175 [0,2,0,0,0,0|2,0,0]=4 10693 B11R0.134 CCCC(CC)NC[C@@H](F)CO 270004a_100015665980_100000687865 [0,2,0,0,0,0|2,0,0]=4 10694 B11R0.134 CCCC(CC)NC[C@@H](O)CF 2230a_100000747048_100015614560 [0,2,0,0,0,0|2,0,0]=4 10695 B11R0.134 CCCC(CC)NC[C@@H](O)CO 2230a_100000747048_100009815848 [0,2,0,0,0,0|1,0,0]=3 10696 B11R0.134 CCCC(CC)OCC(O)CC 34a_100000687864_100011218378 [0,2,0,0,0,0|2,0,0]=4 10697 B11R0.134 CCCC(CC)OCC(O)CC 7a_100000687864_100011218378 [0,2,0,0,0,0|2,0,0]=4 10698 B11R0.134 CCCC(CC)OCC(O)CO 34a_100000687864_100011219619 [0,2,0,0,0,0|1,0,0]=3 10699 B11R0.134 CCCC(CC)OCC(O)CO 7a_100000687864_100011219619 [0,2,0,0,0,0|1,0,0]=3 10700 B11R0.134 CCCC(CC)OC[C@@H](C)CO 34a_100000687864_100000059175 [0,2,0,0,0,0|2,0,0]=4 10701 B11R0.134 CCCC(CC)OC[C@@H](C)CO 7a_100000687864_100000059175 [0,2,0,0,0,0|2,0,0]=4 10702 B11R0.134 CCCC(CC)OC[C@@H](O)CF 34a_100000687864_100015614560 [0,2,0,0,0,0|2,0,0]=4 10703 B11R0.134 CCCC(CC)OC[C@@H](O)CF 7a_100000687864_100015614560 [0,2,0,0,0,0|2,0,0]=4 10704 B11R0.134 CCCC(CC)OC[C@@H](O)CO 34a_100000687864_100009815848 [0,2,0,0,0,0|1,0,0]=3 10705 B11R0.134 CCCC(CC)OC[C@@H](O)CO 7a_100000687864_100009815848 [0,2,0,0,0,0|1,0,0]=3 10706 B11R0.134 CCCC(CC)SCC(O)CC 62a_100011218378_100011219200 [0,2,0,0,0,0|2,0,0]=4 10707 B11R0.134 CCCC(CC)SCC(O)CC 62a_100011219200_100011218378 [0,2,0,0,0,0|2,0,0]=4 10708 B11R0.134 CCCC(CC)SCC(O)CO 62a_100011219200_100011219619 [0,2,0,0,0,0|1,0,0]=3 10709 B11R0.134 CCCC(CC)SCC(O)CO 62a_100011219619_100011219200 [0,2,0,0,0,0|1,0,0]=3 10710 B11R0.134 CCCC(CC)SC[C@@H](C)CO 62a_100000059175_100011219200 [0,2,0,0,0,0|2,0,0]=4 10711 B11R0.134 CCCC(CC)SC[C@@H](C)CO 62a_100011219200_100000059175 [0,2,0,0,0,0|2,0,0]=4 10712 B11R0.134 CCCC(CC)SC[C@@H](O)CF 62a_100011219200_100015614560 [0,2,0,0,0,0|2,0,0]=4 10713 B11R0.134 CCCC(CC)SC[C@@H](O)CF 62a_100015614560_100011219200 [0,2,0,0,0,0|2,0,0]=4 10714 B11R0.134 CCCC(CC)SC[C@@H](O)CO 62a_100009815848_100011219200 [0,2,0,0,0,0|1,0,0]=3 10715 B11R0.134 CCCC(CC)SC[C@@H](O)CO 62a_100011219200_100009815848 [0,2,0,0,0,0|1,0,0]=3 10716 B11R0.134 CCC[C@@H](CO)NCC(O)CC 2230a_100000732646_100011218378 [0,2,0,0,0,0|2,0,0]=4 10717 B11R0.134 CCC[C@@H](CO)NCC(O)CC 34a_100000732646_100011218378 [0,2,0,0,0,0|2,0,0]=4 10718 B11R0.134 CCC[C@@H](CO)NCC(O)CO 2230a_100000732646_100011219619 [0,2,0,0,0,0|1,0,0]=3 10719 B11R0.134 CCC[C@@H](CO)NCC(O)CO 34a_100000732646_100011219619 [0,2,0,0,0,0|1,0,0]=3 10720 B11R0.134 CCC[C@@H](CO)NC[C@@H](C)CO 2230a_100000732646_100000059175 [0,2,0,0,0,0|2,0,0]=4 10721 B11R0.134 CCC[C@@H](CO)NC[C@@H](C)CO 34a_100000732646_100000059175 [0,2,0,0,0,0|2,0,0]=4 10722 B11R0.134 CCC[C@@H](CO)NC[C@@H](O)CF 2230a_100000732646_100015614560 [0,2,0,0,0,0|2,0,0]=4 10723 B11R0.134 CCC[C@@H](CO)NC[C@@H](O)CF 34a_100000732646_100015614560 [0,2,0,0,0,0|2,0,0]=4 10724 B11R0.134 CCC[C@@H](CO)NC[C@@H](O)CO 2230a_100000732646_100009815848 [0,2,0,0,0,0|1,0,0]=3 10725 B11R0.134 CCC[C@@H](CO)NC[C@@H](O)CO 34a_100000732646_100009815848 [0,2,0,0,0,0|1,0,0]=3 10726 B11R0.134 COCC(CCl)OCC(O)CO 34a_100011215053_100011219619 [0,2,0,0,0,0|2,0,0]=4 10727 B11R0.134 COCC(CCl)OC[C@@H](O)CO 34a_100011215053_100009815848 [0,2,0,0,0,0|2,0,0]=4 10728 B11R0.134 COCC(CN)OCC(O)CO 34a_100000756049_100011219619 [0,2,0,0,0,0|2,0,0]=4 10729 B11R0.134 COCC(CN)OC[C@@H](O)CO 34a_100000756049_100009815848 [0,2,0,0,0,0|2,0,0]=4 10730 B11R0.134 COCC(CO)NCC(O)CO 2230a_100000724102_100011219619 [0,2,0,0,0,0|2,0,0]=4 10731 B11R0.134 COCC(CO)NCC(O)CO 34a_100000724102_100011219619 [0,2,0,0,0,0|2,0,0]=4 10732 B11R0.134 COCC(CO)NC[C@@H](O)CO 2230a_100000724102_100009815848 [0,2,0,0,0,0|2,0,0]=4 10733 B11R0.134 COCC(CO)NC[C@@H](O)CO 34a_100000724102_100009815848 [0,2,0,0,0,0|2,0,0]=4 10734 B9R1.8 CCNC1CCCCC1 2230a_100000182618_100000210202 [1,0,0,1,0,0|2,0,0]=4 10735 B9R1.8 CCNC1CCCCC1 270004a_100015525214_100000210434 [1,0,0,1,0,0|2,0,0]=4 10736 B9R1.8 CCNC1CCCCC1 34a_100000182618_100000210202 [1,0,0,1,0,0|2,0,0]=4 10737 B9R1.8 CCOC1CCCCC1 34a_100000210231_100000210202 [1,0,0,1,0,0|2,0,0]=4 10738 B9R1.8 CCOC1CCCCC1 34a_100121572206_100000210327 [1,0,0,1,0,0|2,0,0]=4 10739 B9R1.8 CCOC1CCCCC1 7a_100000210231_100000210202 [1,0,0,1,0,0|2,0,0]=4 10740 B9R1.8 CCOC1CCCCO1 34a_100000033831_100000210202 [1,0,0,1,0,0|1,0,0]=3 10741 B9R1.8 CCSC1CCCCC1 62a_100000210202_100000210327 [1,0,0,1,0,0|2,0,0]=4 10742 B9R1.8 CCSC1CCCCC1 62a_100000210327_100000210202 [1,0,0,1,0,0|2,0,0]=4 10743 B9R1.8 CNCC1CCCCC1 2230a_100000210473_200000210301 [1,0,0,1,0,0|2,0,0]=4 10744 B9R1.8 CNCC1CCCCC1 2230a_106832991635_100000211423 [1,0,0,1,0,0|2,0,0]=4 10745 B9R1.8 CNCC1CCCCC1 269862a_106832991636_100000211278 [1,0,0,1,0,0|2,0,0]=4 10746 B9R1.8 CNCC1CCCCC1 34a_100000210473_200000210301 [1,0,0,1,0,0|2,0,0]=4 10747 B9R1.8 CNCC1CCCCC1 34a_100102657272_100000211423 [1,0,0,1,0,0|2,0,0]=4 10748 B9R1.8 CNCC1CCCCC1 7a_106832991635_100000211423 [1,0,0,1,0,0|2,0,0]=4 10749 B9R1.8 CNCC1CCCCO1 2230a_100000174945_200000210301 [1,0,0,1,0,0|1,0,0]=3 10750 B9R1.8 CNCC1CCCCO1 2230a_106832991635_100000211543 [1,0,0,1,0,0|1,0,0]=3 10751 B9R1.8 CNCC1CCCCO1 34a_100000174945_200000210301 [1,0,0,1,0,0|1,0,0]=3 10752 B9R1.8 CNCC1CCCCO1 34a_100102657272_100000211543 [1,0,0,1,0,0|1,0,0]=3 10753 B9R1.8 CNCC1CCCCO1 7a_106832991635_100000211543 [1,0,0,1,0,0|1,0,0]=3 10754 B9R1.8 CNC[C@H]1COCCO1 2230a_100010981119_200000210301 [1,0,0,1,0,0|2,0,0]=4 10755 B9R1.8 CNC[C@H]1COCCO1 34a_100010981119_200000210301 [1,0,0,1,0,0|2,0,0]=4 10756 B9R1.8 COCC1CCCCC1 34a_100000212181_200000210301 [1,0,0,1,0,0|2,0,0]=4 10757 B9R1.8 COCC1CCCCC1 34a_100138415774_100000211423 [1,0,0,1,0,0|2,0,0]=4 10758 B9R1.8 COCC1CCCCC1 7a_100000212181_200000210301 [1,0,0,1,0,0|2,0,0]=4 10759 B9R1.8 COCC1CCCCN1 34a_100000210821_200000210301 [1,0,0,1,0,0|2,0,0]=4 10760 B9R1.8 COCC1CCCCO1 34a_100000211370_200000210301 [1,0,0,1,0,0|1,0,0]=3 10761 B9R1.8 COCC1CCCCO1 34a_100138415774_100000211543 [1,0,0,1,0,0|1,0,0]=3 10762 B9R1.8 COCC1CCCCO1 7a_100000211370_200000210301 [1,0,0,1,0,0|1,0,0]=3 10763 B9R1.8 COC[C@@H]1CNCCO1 34a_100015189573_200000210301 [1,0,0,1,0,0|2,0,0]=4 10764 B9R1.8 COC[C@H]1COCCO1 34a_100009875890_200000210301 [1,0,0,1,0,0|2,0,0]=4 10765 B9R1.8 CSCC1CCCCC1 62a_100000211423_200000210301 [1,0,0,1,0,0|2,0,0]=4 10766 B9R1.8 CSCC1CCCCC1 62a_200000210301_100000211423 [1,0,0,1,0,0|2,0,0]=4 10767 B9R1.8 CSCC1CCCCO1 62a_100000211543_200000210301 [1,0,0,1,0,0|1,0,0]=3 10768 B9R1.8 CSCC1CCCCO1 62a_200000210301_100000211543 [1,0,0,1,0,0|1,0,0]=3 10769 B9R1.8 FCNC1CCCCC1 34a_100000182618_100015361967 [1,0,0,1,0,0|2,0,0]=4 10770 B9R1.8 FCOC1CCCCC1 34a_100000210231_100015361967 [1,0,0,1,0,0|2,0,0]=4 10771 B9R1.8 FCOC1CCCCC1 7a_100000210231_100015361967 [1,0,0,1,0,0|2,0,0]=4 10772 B9R1.8 FCOC1CCCCO1 34a_100000033831_100015361967 [1,0,0,1,0,0|2,0,0]=4 10773 B9R1.8 FCSC1CCCCC1 62a_100000210327_100015361967 [1,0,0,1,0,0|2,0,0]=4 10774 B9R1.8 FCSC1CCCCC1 62a_100015361967_100000210327 [1,0,0,1,0,0|2,0,0]=4 10775 B9R1.8 OCCN1CCCOC1 2230a_100000131196_100000211926 [1,0,0,1,0,0|2,0,0]=4 10776 B9R1.8 OCCN1CCCOC1 269982a_100000131196_100000211926 [1,0,0,1,0,0|2,0,0]=4 10777 B9R1.8 OCCN1CCCOC1 34a_100000131196_100000211926 [1,0,0,1,0,0|2,0,0]=4 10778 B9R1.8 OCCN1CCOCC1 2230a_100015191051_100000211926 [1,0,0,1,0,0|2,0,0]=4 10779 B9R1.8 OCCN1CCOCC1 269982a_100015191051_100000211926 [1,0,0,1,0,0|2,0,0]=4 10780 B9R1.8 OCCN1CCOCC1 34a_100015191051_100000211926 [1,0,0,1,0,0|2,0,0]=4 10781 B9R1.8 OCCN1CCSCC1 2230a_100000737611_100000211926 [1,0,0,1,0,0|2,0,0]=4 10782 B9R1.8 OCCN1CCSCC1 269982a_100000737611_100000211926 [1,0,0,1,0,0|2,0,0]=4 10783 B9R1.8 [13CH3]NCC1CCCCC1 2230a_100000210473_200025704644 [1,0,0,1,0,0|2,0,0]=4 10784 B9R1.8 [13CH3]NCC1CCCCC1 34a_100000210473_200025704644 [1,0,0,1,0,0|2,0,0]=4 10785 B9R1.8 [13CH3]NCC1CCCCO1 2230a_100000174945_200025704644 [1,0,0,1,0,0|1,0,0]=3 10786 B9R1.8 [13CH3]NCC1CCCCO1 34a_100000174945_200025704644 [1,0,0,1,0,0|1,0,0]=3 10787 B9R1.8 [13CH3]NC[C@H]1COCCO1 2230a_100010981119_200025704644 [1,0,0,1,0,0|2,0,0]=4 10788 B9R1.8 [13CH3]NC[C@H]1COCCO1 34a_100010981119_200025704644 [1,0,0,1,0,0|2,0,0]=4 10789 B9R1.8 [13CH3]OCC1CCCCC1 34a_100000212181_200025704644 [1,0,0,1,0,0|2,0,0]=4 10790 B9R1.8 [13CH3]OCC1CCCCC1 7a_100000212181_200025704644 [1,0,0,1,0,0|2,0,0]=4 10791 B9R1.8 [13CH3]OCC1CCCCN1 34a_100000210821_200025704644 [1,0,0,1,0,0|2,0,0]=4 10792 B9R1.8 [13CH3]OCC1CCCCO1 34a_100000211370_200025704644 [1,0,0,1,0,0|1,0,0]=3 10793 B9R1.8 [13CH3]OCC1CCCCO1 7a_100000211370_200025704644 [1,0,0,1,0,0|1,0,0]=3 10794 B9R1.8 [13CH3]OC[C@@H]1CNCCO1 34a_100015189573_200025704644 [1,0,0,1,0,0|2,0,0]=4 10795 B9R1.8 [13CH3]OC[C@H]1COCCO1 34a_100009875890_200025704644 [1,0,0,1,0,0|2,0,0]=4 10796 B9R1.8 [13CH3]SCC1CCCCC1 62a_100000211423_200025704644 [1,0,0,1,0,0|2,0,0]=4 10797 B9R1.8 [13CH3]SCC1CCCCC1 62a_200025704644_100000211423 [1,0,0,1,0,0|2,0,0]=4 10798 B9R1.8 [13CH3]SCC1CCCCO1 62a_100000211543_200025704644 [1,0,0,1,0,0|1,0,0]=3 10799 B9R1.8 [13CH3]SCC1CCCCO1 62a_200025704644_100000211543 [1,0,0,1,0,0|1,0,0]=3 10800 B9R1.12 BrCCOC1CCCC1 34a_100000211926_100000179811 [1,0,0,1,0,0|2,0,0]=4 10801 B9R1.12 CCCCN1CCCC1 2230a_100000188435_100000210211 [1,0,0,1,0,0|2,0,0]=4 10802 B9R1.12 CCCCN1CCCC1 269982a_100000188435_100000210211 [1,0,0,1,0,0|2,0,0]=4 10803 B9R1.12 CCCNC1CCCC1 2230a_100000211070_100000210303 [1,0,0,1,0,0|2,0,0]=4 10804 B9R1.12 CCCNC1CCCC1 270004a_100020643023_100000210133 [1,0,0,1,0,0|2,0,0]=4 10805 B9R1.12 CCCNC1CCCC1 34a_100000211070_100000210303 [1,0,0,1,0,0|2,0,0]=4 10806 B9R1.12 CCCOC1CCCC1 34a_100000210258_100000179811 [1,0,0,1,0,0|2,0,0]=4 10807 B9R1.12 CCCOC1CCCC1 34a_100000210269_100000210303 [1,0,0,1,0,0|2,0,0]=4 10808 B9R1.12 CCCOC1CCCC1 7a_100000210269_100000210303 [1,0,0,1,0,0|2,0,0]=4 10809 B9R1.12 CCCOC1CCCO1 34a_100000085407_100000210303 [1,0,0,1,0,0|1,0,0]=3 10810 B9R1.12 CCCSC1CCCC1 62a_100000210303_100000179811 [1,0,0,1,0,0|2,0,0]=4 10811 B9R1.12 CCCSC1CCCC1 62a_100011217020_100000210303 [1,0,0,1,0,0|2,0,0]=4 10812 B9R1.12 CCNCC1CCCC1 2230a_100000737975_100000210202 [1,0,0,1,0,0|2,0,0]=4 10813 B9R1.12 CCNCC1CCCC1 2230a_100015525214_100000740388 [1,0,0,1,0,0|2,0,0]=4 10814 B9R1.12 CCNCC1CCCC1 269862a_100015525214_100000746403 [1,0,0,1,0,0|2,0,0]=4 10815 B9R1.12 CCNCC1CCCC1 34a_100000737975_100000210202 [1,0,0,1,0,0|2,0,0]=4 10816 B9R1.12 CCNCC1CCCO1 2230a_100015525214_100000203698 [1,0,0,1,0,0|1,0,0]=3 10817 B9R1.12 CCNCC1OCCO1 2230a_100000036311_100000210202 [1,0,0,1,0,0|2,0,0]=4 10818 B9R1.12 CCNCC1OCCO1 2230a_100015525214_100000755774 [1,0,0,1,0,0|2,0,0]=4 10819 B9R1.12 CCNCC1OCCO1 34a_100000036311_100000210202 [1,0,0,1,0,0|2,0,0]=4 10820 B9R1.12 CCNC[C@@H]1CCCO1 2230a_100020590478_100000210202 [1,0,0,1,0,0|1,0,0]=3 10821 B9R1.12 CCNC[C@@H]1CCCO1 34a_100020590478_100000210202 [1,0,0,1,0,0|1,0,0]=3 10822 B9R1.12 CCOCC1CCCC1 34a_100000742336_100000210202 [1,0,0,1,0,0|2,0,0]=4 10823 B9R1.12 CCOCC1CCCC1 34a_100121572206_100000740388 [1,0,0,1,0,0|2,0,0]=4 10824 B9R1.12 CCOCC1CCCC1 7a_100000742336_100000210202 [1,0,0,1,0,0|2,0,0]=4 10825 B9R1.12 CCOCC1CCCO1 34a_100000210270_100000210202 [1,0,0,1,0,0|1,0,0]=3 10826 B9R1.12 CCOCC1CCCO1 7a_100000210270_100000210202 [1,0,0,1,0,0|1,0,0]=3 10827 B9R1.12 CCOCC1COCO1 34a_100011216627_100000210202 [1,0,0,1,0,0|2,0,0]=4 10828 B9R1.12 CCOCC1OCCO1 34a_100000087154_100000210202 [1,0,0,1,0,0|2,0,0]=4 10829 B9R1.12 CCOCC1OCCO1 34a_100121572206_100000755774 [1,0,0,1,0,0|2,0,0]=4 10830 B9R1.12 CCOC[C@H]1CCCN1 34a_100000745186_100000210202 [1,0,0,1,0,0|2,0,0]=4 10831 B9R1.12 CCSCC1CCCC1 62a_100000210202_100000740388 [1,0,0,1,0,0|2,0,0]=4 10832 B9R1.12 CCSCC1CCCC1 62a_100000740388_100000210202 [1,0,0,1,0,0|2,0,0]=4 10833 B9R1.12 CCSCC1CCCO1 62a_100000203698_100000210202 [1,0,0,1,0,0|1,0,0]=3 10834 B9R1.12 CCSCC1CCCO1 62a_100000210202_100000203698 [1,0,0,1,0,0|1,0,0]=3 10835 B9R1.12 CCSCC1OCCO1 62a_100000210202_100000755774 [1,0,0,1,0,0|2,0,0]=4 10836 B9R1.12 CCSCC1OCCO1 62a_100000755774_100000210202 [1,0,0,1,0,0|2,0,0]=4 10837 B9R1.12 CNCCC1CCCC1 2230a_100000739158_200000210301 [1,0,0,1,0,0|2,0,0]=4 10838 B9R1.12 CNCCC1CCCC1 2230a_106832991635_100000760354 [1,0,0,1,0,0|2,0,0]=4 10839 B9R1.12 CNCCC1CCCC1 34a_100000739158_200000210301 [1,0,0,1,0,0|2,0,0]=4 10840 B9R1.12 CNCCC1CCCC1 34a_100102657272_100000760354 [1,0,0,1,0,0|2,0,0]=4 10841 B9R1.12 CNCCC1CCCC1 7a_106832991635_100000760354 [1,0,0,1,0,0|2,0,0]=4 10842 B9R1.12 CNCCC1OCCO1 2230a_100000034215_200000210301 [1,0,0,1,0,0|2,0,0]=4 10843 B9R1.12 CNCCC1OCCO1 2230a_106832991635_100000740749 [1,0,0,1,0,0|2,0,0]=4 10844 B9R1.12 CNCCC1OCCO1 34a_100000034215_200000210301 [1,0,0,1,0,0|2,0,0]=4 10845 B9R1.12 CNCCC1OCCO1 34a_100102657272_100000740749 [1,0,0,1,0,0|2,0,0]=4 10846 B9R1.12 CNCCC1OCCO1 7a_106832991635_100000740749 [1,0,0,1,0,0|2,0,0]=4 10847 B9R1.12 COCCC1CCCC1 34a_100000749090_200000210301 [1,0,0,1,0,0|2,0,0]=4 10848 B9R1.12 COCCC1CCCC1 34a_100138415774_100000760354 [1,0,0,1,0,0|2,0,0]=4 10849 B9R1.12 COCCC1CCCC1 7a_100000749090_200000210301 [1,0,0,1,0,0|2,0,0]=4 10850 B9R1.12 COCCC1OCCO1 34a_100138415774_100000740749 [1,0,0,1,0,0|2,0,0]=4 10851 B9R1.12 CSCCC1CCCC1 62a_100000760354_200000210301 [1,0,0,1,0,0|2,0,0]=4 10852 B9R1.12 CSCCC1CCCC1 62a_200000210301_100000760354 [1,0,0,1,0,0|2,0,0]=4 10853 B9R1.12 CSCCC1OCCO1 62a_200000210301_100000740749 [1,0,0,1,0,0|2,0,0]=4 10854 B9R1.12 CSCOC1CCCO1 34a_100000085407_100011218213 [1,0,0,1,0,0|2,0,0]=4 10855 B9R1.12 FCCCN1CCCC1 2230a_100000188435_100011934791 [1,0,0,1,0,0|2,0,0]=4 10856 B9R1.12 FCCCN1CCCC1 269982a_100000188435_100011934791 [1,0,0,1,0,0|2,0,0]=4 10857 B9R1.12 FCCNC1CCCC1 2230a_100000211070_100011217306 [1,0,0,1,0,0|2,0,0]=4 10858 B9R1.12 FCCNC1CCCC1 34a_100000211070_100011217306 [1,0,0,1,0,0|2,0,0]=4 10859 B9R1.12 FCCNC1CCCC1 34a_100000724931_100000179811 [1,0,0,1,0,0|2,0,0]=4 10860 B9R1.12 FCCOC1CCCC1 34a_100000210269_100011217306 [1,0,0,1,0,0|2,0,0]=4 10861 B9R1.12 FCCOC1CCCC1 7a_100000210269_100011217306 [1,0,0,1,0,0|2,0,0]=4 10862 B9R1.12 FCCOC1CCCO1 34a_100000085407_100011217306 [1,0,0,1,0,0|2,0,0]=4 10863 B9R1.12 FCCSC1CCCC1 62a_100011217020_100011217306 [1,0,0,1,0,0|2,0,0]=4 10864 B9R1.12 FCCSC1CCCC1 62a_100011217306_100000179811 [1,0,0,1,0,0|2,0,0]=4 10865 B9R1.12 FCNCC1CCCC1 34a_100000737975_100015361967 [1,0,0,1,0,0|2,0,0]=4 10866 B9R1.12 FCNC[C@@H]1CCCO1 34a_100020590478_100015361967 [1,0,0,1,0,0|2,0,0]=4 10867 B9R1.12 FCOCC1CCCC1 34a_100000742336_100015361967 [1,0,0,1,0,0|2,0,0]=4 10868 B9R1.12 FCOCC1CCCC1 7a_100000742336_100015361967 [1,0,0,1,0,0|2,0,0]=4 10869 B9R1.12 FCOCC1CCCO1 34a_100000210270_100015361967 [1,0,0,1,0,0|2,0,0]=4 10870 B9R1.12 FCOCC1CCCO1 7a_100000210270_100015361967 [1,0,0,1,0,0|2,0,0]=4 10871 B9R1.12 FCSCC1CCCC1 62a_100000740388_100015361967 [1,0,0,1,0,0|2,0,0]=4 10872 B9R1.12 FCSCC1CCCC1 62a_100015361967_100000740388 [1,0,0,1,0,0|2,0,0]=4 10873 B9R1.12 FCSCC1CCCO1 62a_100000203698_100015361967 [1,0,0,1,0,0|2,0,0]=4 10874 B9R1.12 FCSCC1CCCO1 62a_100015361967_100000203698 [1,0,0,1,0,0|2,0,0]=4 10875 B9R1.12 NCCOC1CCCC1 34a_100000210304_100000179811 [1,0,0,1,0,0|2,0,0]=4 10876 B9R1.12 OCCCN1CCCC1 2230a_100000188435_100000230001 [1,0,0,1,0,0|1,0,0]=3 10877 B9R1.12 OCCCN1CCCC1 269982a_100000188435_100011215043 [1,0,0,1,0,0|1,0,0]=3 10878 B9R1.12 OCCCN1CCSC1 2230a_100011215254_100000230001 [1,0,0,1,0,0|2,0,0]=4 10879 B9R1.12 OCCCN1CCSC1 269982a_100011215254_100011215043 [1,0,0,1,0,0|2,0,0]=4 10880 B9R1.12 OCCNC1CCCC1 2230a_100000211070_100000211926 [1,0,0,1,0,0|1,0,0]=3 10881 B9R1.12 OCCNC1CCCC1 2230a_100016997473_100000179811 [1,0,0,1,0,0|1,0,0]=3 10882 B9R1.12 OCCNC1CCCC1 270004a_100000210304_100000210133 [1,0,0,1,0,0|1,0,0]=3 10883 B9R1.12 OCCNC1CCCC1 34a_100000211070_100000211926 [1,0,0,1,0,0|1,0,0]=3 10884 B9R1.12 OCCNC1CCCC1 34a_100016990907_100000179811 [1,0,0,1,0,0|1,0,0]=3 10885 B9R1.12 OCCNC1CCOC1 2230a_100016997473_100000731011 [1,0,0,1,0,0|2,0,0]=4 10886 B9R1.12 OCCNC1CCOC1 270004a_100000210304_100000752484 [1,0,0,1,0,0|2,0,0]=4 10887 B9R1.12 OCCNC1CCOC1 34a_100016990907_100000690089 [1,0,0,1,0,0|2,0,0]=4 10888 B9R1.12 OCCNC1CCSC1 270004a_100000210304_100000212027 [1,0,0,1,0,0|2,0,0]=4 10889 B9R1.12 OCCN[C@@H]1CCOC1 2230a_200015188469_100000211926 [1,0,0,1,0,0|2,0,0]=4 10890 B9R1.12 OCCN[C@H]1CCOC1 2230a_100015188467_100000211926 [1,0,0,1,0,0|2,0,0]=4 10891 B9R1.12 OCCN[C@H]1CCOC1 34a_100015188467_100000211926 [1,0,0,1,0,0|2,0,0]=4 10892 B9R1.12 OCCOC1CCCC1 34a_100000210269_100000211926 [1,0,0,1,0,0|1,0,0]=3 10893 B9R1.12 OCCOC1CCCC1 7a_100000210269_100000211926 [1,0,0,1,0,0|1,0,0]=3 10894 B9R1.12 OCCOC1CCCO1 34a_100000085407_100000211926 [1,0,0,1,0,0|2,0,0]=4 10895 B9R1.12 OCCOC1CCSC1 7a_100011232664_100000211926 [1,0,0,1,0,0|2,0,0]=4 10896 B9R1.12 OCCO[C@H]1CCOC1 34a_100000717292_100000211926 [1,0,0,1,0,0|2,0,0]=4 10897 B9R1.12 OCCSC1CCCC1 62a_100000211926_100000179811 [1,0,0,1,0,0|1,0,0]=3 10898 B9R1.12 OCCSC1CCCC1 62a_100011217020_100000211926 [1,0,0,1,0,0|1,0,0]=3 10899 B9R1.12 OCCSC1CCOC1 62a_100000211926_100000690089 [1,0,0,1,0,0|2,0,0]=4 10900 B9R1.12 [13CH3]NCCC1CCCC1 2230a_100000739158_200025704644 [1,0,0,1,0,0|2,0,0]=4 10901 B9R1.12 [13CH3]NCCC1CCCC1 34a_100000739158_200025704644 [1,0,0,1,0,0|2,0,0]=4 10902 B9R1.12 [13CH3]NCCC1OCCO1 2230a_100000034215_200025704644 [1,0,0,1,0,0|2,0,0]=4 10903 B9R1.12 [13CH3]NCCC1OCCO1 34a_100000034215_200025704644 [1,0,0,1,0,0|2,0,0]=4 10904 B9R1.12 [13CH3]OCCC1CCCC1 34a_100000749090_200025704644 [1,0,0,1,0,0|2,0,0]=4 10905 B9R1.12 [13CH3]OCCC1CCCC1 7a_100000749090_200025704644 [1,0,0,1,0,0|2,0,0]=4 10906 B9R1.12 [13CH3]SCCC1CCCC1 62a_100000760354_200025704644 [1,0,0,1,0,0|2,0,0]=4 10907 B9R1.12 [13CH3]SCCC1CCCC1 62a_200025704644_100000760354 [1,0,0,1,0,0|2,0,0]=4 10908 B9R1.12 [13CH3]SCCC1OCCO1 62a_200025704644_100000740749 [1,0,0,1,0,0|2,0,0]=4 10909 B9R1.14 CCC1CCCC1NC 269862a_106832991636_100000749056 [1,0,0,1,0,0|2,0,0]=4 10910 B9R1.14 CCC1CCCC1NC 270004a_106832991635_100000749056 [1,0,0,1,0,0|2,0,0]=4 10911 B9R1.14 CCC1CCCN1CC 2230a_100000754278_100000210202 [1,0,0,1,0,0|2,0,0]=4 10912 B9R1.14 CCC1CCCN1CC 269982a_100000754278_100000204670 [1,0,0,1,0,0|2,0,0]=4 10913 B9R1.14 CCC1CCCN1CC 34a_100000754278_100000210202 [1,0,0,1,0,0|2,0,0]=4 10914 B9R1.14 CCC1CCCN1CF 269982a_100000754278_100015361967 [1,0,0,1,0,0|2,0,0]=4 10915 B9R1.14 CCC1CCCN1CF 34a_100000754278_100015361967 [1,0,0,1,0,0|2,0,0]=4 10916 B9R1.14 CCN1CCC[C@@H]1CO 2230a_100000745186_100000210202 [1,0,0,1,0,0|1,0,0]=3 10917 B9R1.14 CCN1CCC[C@@H]1CO 269982a_100000745186_100000204670 [1,0,0,1,0,0|1,0,0]=3 10918 B9R1.14 CCN1CCC[C@@H]1CO 34a_100000745186_100000210202 [1,0,0,1,0,0|1,0,0]=3 10919 B9R1.14 OC[C@H]1CCCN1CF 269982a_100000745186_100015361967 [1,0,0,1,0,0|2,0,0]=4 10920 B9R1.14 OC[C@H]1CCCN1CF 34a_100000745186_100015361967 [1,0,0,1,0,0|2,0,0]=4 10921 B9R1.15 CC1CCCCC1N[13CH3] 2230a_100000211402_200025704644 [1,0,0,1,0,0|2,0,0]=4 10922 B9R1.15 CC1CCCCC1N[13CH3] 34a_100000211402_200025704644 [1,0,0,1,0,0|2,0,0]=4 10923 B9R1.15 CC1CCCCC1O[13CH3] 34a_100000211207_200025704644 [1,0,0,1,0,0|2,0,0]=4 10924 B9R1.15 CC1CCCCC1O[13CH3] 7a_100000211207_200025704644 [1,0,0,1,0,0|2,0,0]=4 10925 B9R1.15 CC1CCCCN1CF 269982a_100000211376_100015361967 [1,0,0,1,0,0|2,0,0]=4 10926 B9R1.15 CC1CCCCN1CF 34a_100000211376_100015361967 [1,0,0,1,0,0|2,0,0]=4 10927 B9R1.15 CCC1CCCCN1C 2230a_100000210034_200000210301 [1,0,0,1,0,0|2,0,0]=4 10928 B9R1.15 CCC1CCCCN1C 269982a_100000210034_200000210301 [1,0,0,1,0,0|2,0,0]=4 10929 B9R1.15 CCC1CCCCN1C 34a_100000210034_200000210301 [1,0,0,1,0,0|2,0,0]=4 10930 B9R1.15 CCC1CCCCN1[13CH3] 2230a_100000210034_200025704644 [1,0,0,1,0,0|2,0,0]=4 10931 B9R1.15 CCC1CCCCN1[13CH3] 269982a_100000210034_200025704644 [1,0,0,1,0,0|2,0,0]=4 10932 B9R1.15 CCC1CCCCN1[13CH3] 34a_100000210034_200025704644 [1,0,0,1,0,0|2,0,0]=4 10933 B9R1.15 CCN1CCCCC1C 2230a_100000211376_100000210202 [1,0,0,1,0,0|2,0,0]=4 10934 B9R1.15 CCN1CCCCC1C 269982a_100000211376_100000204670 [1,0,0,1,0,0|2,0,0]=4 10935 B9R1.15 CCN1CCCCC1C 34a_100000211376_100000210202 [1,0,0,1,0,0|2,0,0]=4 10936 B9R1.15 CN1CCCCC1CO 2230a_100000210821_200000210301 [1,0,0,1,0,0|1,0,0]=3 10937 B9R1.15 CN1CCCCC1CO 269982a_100000210821_200000210301 [1,0,0,1,0,0|1,0,0]=3 10938 B9R1.15 CN1CCCCC1CO 34a_100000210821_200000210301 [1,0,0,1,0,0|1,0,0]=3 10939 B9R1.15 CN1CCOC[C@H]1CO 2230a_100000717676_200000210301 [1,0,0,1,0,0|2,0,0]=4 10940 B9R1.15 CN1CCOC[C@H]1CO 269982a_100000717676_200000210301 [1,0,0,1,0,0|2,0,0]=4 10941 B9R1.15 CN1CCOC[C@H]1CO 34a_100000717676_200000210301 [1,0,0,1,0,0|2,0,0]=4 10942 B9R1.15 CNC1CCCCC1C 2230a_100000211402_200000210301 [1,0,0,1,0,0|2,0,0]=4 10943 B9R1.15 CNC1CCCCC1C 269862a_106832991636_100000210921 [1,0,0,1,0,0|2,0,0]=4 10944 B9R1.15 CNC1CCCCC1C 270004a_106832991635_100000210921 [1,0,0,1,0,0|2,0,0]=4 10945 B9R1.15 CNC1CCCCC1C 34a_100000211402_200000210301 [1,0,0,1,0,0|2,0,0]=4 10946 B9R1.15 CNC1CCCCC1F 34a_100102657272_100015423560 [1,0,0,1,0,0|2,0,0]=4 10947 B9R1.15 CNC1CCCCC1O 34a_100102657272_100000038908 [1,0,0,1,0,0|1,0,0]=3 10948 B9R1.15 CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_200000210301 [1,0,0,1,0,0|2,0,0]=4 10949 B9R1.15 CN[C@@H]1CCCC[C@H]1F 34a_100015195156_200000210301 [1,0,0,1,0,0|2,0,0]=4 10950 B9R1.15 CN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_200000210301 [1,0,0,1,0,0|2,0,0]=4 10951 B9R1.15 CN[C@H]1COCC[C@@H]1O 2230a_100015739063_200000210301 [1,0,0,1,0,0|2,0,0]=4 10952 B9R1.15 COC1CCCCC1C 34a_100000211207_200000210301 [1,0,0,1,0,0|2,0,0]=4 10953 B9R1.15 COC1CCCCC1C 7a_100000211207_200000210301 [1,0,0,1,0,0|2,0,0]=4 10954 B9R1.15 COC1CCCCC1Cl 34a_100000038908_200000210301 [1,0,0,1,0,0|2,0,0]=4 10955 B9R1.15 COC1CCCCC1Cl 7a_100000038908_200000210301 [1,0,0,1,0,0|2,0,0]=4 10956 B9R1.15 COC1CCCCC1F 34a_100138415774_100015423560 [1,0,0,1,0,0|2,0,0]=4 10957 B9R1.15 COC1CCCCC1O 34a_100138415774_100000038908 [1,0,0,1,0,0|1,0,0]=3 10958 B9R1.15 CO[C@@H]1CCCC[C@H]1F 34a_100009816020_200000210301 [1,0,0,1,0,0|2,0,0]=4 10959 B9R1.15 CO[C@@H]1CCCC[C@H]1F 7a_100009816020_200000210301 [1,0,0,1,0,0|2,0,0]=4 10960 B9R1.15 CO[C@H]1CCCC[C@H]1N 34a_100015191688_200000210301 [1,0,0,1,0,0|2,0,0]=4 10961 B9R1.15 CSC1CCCCC1F 62a_100015423560_200000210301 [1,0,0,1,0,0|2,0,0]=4 10962 B9R1.15 CSC1CCCCC1F 62a_200000210301_100015423560 [1,0,0,1,0,0|2,0,0]=4 10963 B9R1.15 CSC1CCCCC1O 62a_100000038908_200000210301 [1,0,0,1,0,0|1,0,0]=3 10964 B9R1.15 CSC1CCCCC1O 62a_200000210301_100000038908 [1,0,0,1,0,0|1,0,0]=3 10965 B9R1.15 [13CH3]N1CCCCC1CO 2230a_100000210821_200025704644 [1,0,0,1,0,0|1,0,0]=3 10966 B9R1.15 [13CH3]N1CCCCC1CO 269982a_100000210821_200025704644 [1,0,0,1,0,0|1,0,0]=3 10967 B9R1.15 [13CH3]N1CCCCC1CO 34a_100000210821_200025704644 [1,0,0,1,0,0|1,0,0]=3 10968 B9R1.15 [13CH3]N1CCOC[C@H]1CO 2230a_100000717676_200025704644 [1,0,0,1,0,0|2,0,0]=4 10969 B9R1.15 [13CH3]N1CCOC[C@H]1CO 269982a_100000717676_200025704644 [1,0,0,1,0,0|2,0,0]=4 10970 B9R1.15 [13CH3]N1CCOC[C@H]1CO 34a_100000717676_200025704644 [1,0,0,1,0,0|2,0,0]=4 10971 B9R1.15 [13CH3]N[C@@H]1CCCC[C@H]1F 2230a_100015195156_200025704644 [1,0,0,1,0,0|2,0,0]=4 10972 B9R1.15 [13CH3]N[C@@H]1CCCC[C@H]1F 34a_100015195156_200025704644 [1,0,0,1,0,0|2,0,0]=4 10973 B9R1.15 [13CH3]N[C@@H]1CCOC[C@@H]1O 2230a_100016994285_200025704644 [1,0,0,1,0,0|2,0,0]=4 10974 B9R1.15 [13CH3]N[C@H]1COCC[C@@H]1O 2230a_100015739063_200025704644 [1,0,0,1,0,0|2,0,0]=4 10975 B9R1.15 [13CH3]OC1CCCCC1Cl 34a_100000038908_200025704644 [1,0,0,1,0,0|2,0,0]=4 10976 B9R1.15 [13CH3]OC1CCCCC1Cl 7a_100000038908_200025704644 [1,0,0,1,0,0|2,0,0]=4 10977 B9R1.15 [13CH3]O[C@@H]1CCCC[C@H]1F 34a_100009816020_200025704644 [1,0,0,1,0,0|2,0,0]=4 10978 B9R1.15 [13CH3]O[C@@H]1CCCC[C@H]1F 7a_100009816020_200025704644 [1,0,0,1,0,0|2,0,0]=4 10979 B9R1.15 [13CH3]O[C@H]1CCCC[C@H]1N 34a_100015191688_200025704644 [1,0,0,1,0,0|2,0,0]=4 10980 B9R1.15 [13CH3]SC1CCCCC1F 62a_100015423560_200025704644 [1,0,0,1,0,0|2,0,0]=4 10981 B9R1.15 [13CH3]SC1CCCCC1F 62a_200025704644_100015423560 [1,0,0,1,0,0|2,0,0]=4 10982 B9R1.15 [13CH3]SC1CCCCC1O 62a_100000038908_200025704644 [1,0,0,1,0,0|1,0,0]=3 10983 B9R1.15 [13CH3]SC1CCCCC1O 62a_200025704644_100000038908 [1,0,0,1,0,0|1,0,0]=3 10984 B9R1.16 CC1CC1COCCF 34a_100000744939_100011217306 [1,0,0,1,0,0|2,0,0]=4 10985 B9R1.16 CC1CC1COCCF 7a_100000744939_100011217306 [1,0,0,1,0,0|2,0,0]=4 10986 B9R1.16 CC1CC1COCCO 34a_100000744939_100000211926 [1,0,0,1,0,0|1,0,0]=3 10987 B9R1.16 CC1CC1COCCO 7a_100000744939_100000211926 [1,0,0,1,0,0|1,0,0]=3 10988 B9R1.16 CCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210211 [1,0,0,1,0,0|2,0,0]=4 10989 B9R1.16 CCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210211 [1,0,0,1,0,0|2,0,0]=4 10990 B9R1.16 CCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210210 [1,0,0,1,0,0|2,0,0]=4 10991 B9R1.16 CCCOCC1CC1C 34a_100000744939_100000210303 [1,0,0,1,0,0|2,0,0]=4 10992 B9R1.16 CCCOCC1CC1C 7a_100000744939_100000210303 [1,0,0,1,0,0|2,0,0]=4 10993 B9R1.16 OCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000230001 [1,0,0,1,0,0|2,0,0]=4 10994 B9R1.16 OCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000230001 [1,0,0,1,0,0|2,0,0]=4 10995 B9R1.16 OCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000230001 [1,0,0,1,0,0|2,0,0]=4 10996 B9R1.17 BrCCCOC1CCC1 34a_100011217188_100000749161 [1,0,0,1,0,0|2,0,0]=4 10997 B9R1.17 BrCCOCC1CCC1 34a_100000211926_100000763275 [1,0,0,1,0,0|2,0,0]=4 10998 B9R1.17 BrCCOCC1CCO1 34a_100000211926_100000103362 [1,0,0,1,0,0|2,0,0]=4 10999 B9R1.17 CCCCCN1CCC1 269982a_100000754969_100000210215 [1,0,0,1,0,0|2,0,0]=4 11000 B9R1.17 CCCCNC1CCC1 2230a_100000749019_100000210211 [1,0,0,1,0,0|2,0,0]=4 11001 B9R1.17 CCCCNC1CCC1 270004a_100000102301_100000241760 [1,0,0,1,0,0|2,0,0]=4 11002 B9R1.17 CCCCNC1CCC1 34a_100000749019_100000210210 [1,0,0,1,0,0|2,0,0]=4 11003 B9R1.17 CCCCOC1CCC1 34a_100000210227_100000749161 [1,0,0,1,0,0|2,0,0]=4 11004 B9R1.17 CCCCOC1CCC1 34a_100000748187_100000210210 [1,0,0,1,0,0|2,0,0]=4 11005 B9R1.17 CCCCSC1CCC1 62a_100000210211_100000749161 [1,0,0,1,0,0|2,0,0]=4 11006 B9R1.17 CCCNCC1CCC1 2230a_100000738700_100000210303 [1,0,0,1,0,0|2,0,0]=4 11007 B9R1.17 CCCNCC1CCC1 269862a_100020643023_100000753134 [1,0,0,1,0,0|2,0,0]=4 11008 B9R1.17 CCCNCC1CCC1 34a_100000738700_100000210303 [1,0,0,1,0,0|2,0,0]=4 11009 B9R1.17 CCCNC[C@@H]1CCO1 2230a_100020831831_100000210303 [1,0,0,1,0,0|1,0,0]=3 11010 B9R1.17 CCCNC[C@@H]1CCO1 34a_100020831831_100000210303 [1,0,0,1,0,0|1,0,0]=3 11011 B9R1.17 CCCOCC1CCC1 34a_100000210258_100000763275 [1,0,0,1,0,0|2,0,0]=4 11012 B9R1.17 CCCOCC1CCC1 34a_100000760304_100000210303 [1,0,0,1,0,0|2,0,0]=4 11013 B9R1.17 CCCOCC1CCO1 34a_100000039022_100000210303 [1,0,0,1,0,0|1,0,0]=3 11014 B9R1.17 CCCOCC1CCO1 34a_100000210258_100000103362 [1,0,0,1,0,0|1,0,0]=3 11015 B9R1.17 CCCSCC1CCC1 62a_100000210303_100000763275 [1,0,0,1,0,0|2,0,0]=4 11016 B9R1.17 CCCSCC1CCC1 62a_100000763275_100000210303 [1,0,0,1,0,0|2,0,0]=4 11017 B9R1.17 CCCSCC1CCO1 62a_100000103362_100000210303 [1,0,0,1,0,0|1,0,0]=3 11018 B9R1.17 CCCSCC1CCO1 62a_100000210303_100000103362 [1,0,0,1,0,0|1,0,0]=3 11019 B9R1.17 COCNC[C@@H]1CCO1 2230a_100020831831_100000766300 [1,0,0,1,0,0|2,0,0]=4 11020 B9R1.17 COCSCC1CCO1 62a_100000103362_100000766300 [1,0,0,1,0,0|2,0,0]=4 11021 B9R1.17 COCSCC1CCO1 62a_100000766300_100000103362 [1,0,0,1,0,0|2,0,0]=4 11022 B9R1.17 CSCNC[C@@H]1CCO1 2230a_100020831831_100011218213 [1,0,0,1,0,0|2,0,0]=4 11023 B9R1.17 CSCNC[C@@H]1CCO1 34a_100020831831_100011218213 [1,0,0,1,0,0|2,0,0]=4 11024 B9R1.17 CSCOCC1CCO1 34a_100000039022_100011218213 [1,0,0,1,0,0|2,0,0]=4 11025 B9R1.17 CSCSCC1CCO1 62a_100000103362_100011218213 [1,0,0,1,0,0|2,0,0]=4 11026 B9R1.17 CSCSCC1CCO1 62a_100011218213_100000103362 [1,0,0,1,0,0|2,0,0]=4 11027 B9R1.17 ClCCCOC1CCC1 34a_100000230001_100000749161 [1,0,0,1,0,0|2,0,0]=4 11028 B9R1.17 FCCCCN1CCC1 269982a_100000754969_100000729493 [1,0,0,1,0,0|2,0,0]=4 11029 B9R1.17 FCCCNC1CCC1 2230a_100000749019_100011934791 [1,0,0,1,0,0|2,0,0]=4 11030 B9R1.17 FCCCNC1CCC1 270004a_100015189416_100000241760 [1,0,0,1,0,0|2,0,0]=4 11031 B9R1.17 FCCCNC1CCC1 34a_100000749019_100011934791 [1,0,0,1,0,0|2,0,0]=4 11032 B9R1.17 FCCCNC1CCC1 34a_100015189416_100000749161 [1,0,0,1,0,0|2,0,0]=4 11033 B9R1.17 FCCCOC1CCC1 34a_100000748187_100011934791 [1,0,0,1,0,0|2,0,0]=4 11034 B9R1.17 FCCCOC1CCC1 34a_100000759539_100000749161 [1,0,0,1,0,0|2,0,0]=4 11035 B9R1.17 FCCCSC1CCC1 62a_100011934791_100000749161 [1,0,0,1,0,0|2,0,0]=4 11036 B9R1.17 FCCNCC1CCC1 2230a_100000738700_100011217306 [1,0,0,1,0,0|2,0,0]=4 11037 B9R1.17 FCCNCC1CCC1 269862a_100000724931_100000753134 [1,0,0,1,0,0|2,0,0]=4 11038 B9R1.17 FCCNCC1CCC1 34a_100000724931_100000763275 [1,0,0,1,0,0|2,0,0]=4 11039 B9R1.17 FCCNCC1CCC1 34a_100000738700_100011217306 [1,0,0,1,0,0|2,0,0]=4 11040 B9R1.17 FCCNCC1CCO1 34a_100000724931_100000103362 [1,0,0,1,0,0|2,0,0]=4 11041 B9R1.17 FCCNC[C@@H]1CCO1 2230a_100020831831_100011217306 [1,0,0,1,0,0|2,0,0]=4 11042 B9R1.17 FCCNC[C@@H]1CCO1 34a_100020831831_100011217306 [1,0,0,1,0,0|2,0,0]=4 11043 B9R1.17 FCCOCC1CCC1 34a_100000760304_100011217306 [1,0,0,1,0,0|2,0,0]=4 11044 B9R1.17 FCCOCC1CCO1 34a_100000039022_100011217306 [1,0,0,1,0,0|2,0,0]=4 11045 B9R1.17 FCCSCC1CCC1 62a_100000763275_100011217306 [1,0,0,1,0,0|2,0,0]=4 11046 B9R1.17 FCCSCC1CCC1 62a_100011217306_100000763275 [1,0,0,1,0,0|2,0,0]=4 11047 B9R1.17 FCCSCC1CCO1 62a_100000103362_100011217306 [1,0,0,1,0,0|2,0,0]=4 11048 B9R1.17 FCCSCC1CCO1 62a_100011217306_100000103362 [1,0,0,1,0,0|2,0,0]=4 11049 B9R1.17 NCCCOC1CCC1 34a_100000182051_100000749161 [1,0,0,1,0,0|2,0,0]=4 11050 B9R1.17 NCCOCC1CCC1 34a_100000210304_100000763275 [1,0,0,1,0,0|2,0,0]=4 11051 B9R1.17 NCCOCC1CCO1 34a_100000210304_100000103362 [1,0,0,1,0,0|2,0,0]=4 11052 B9R1.17 OCCCCN1CCC1 269982a_100000754969_100000210776 [1,0,0,1,0,0|1,0,0]=3 11053 B9R1.17 OCCCNC1CCC1 2230a_100000749019_100000230001 [1,0,0,1,0,0|1,0,0]=3 11054 B9R1.17 OCCCNC1CCC1 270004a_100000182051_100000241760 [1,0,0,1,0,0|1,0,0]=3 11055 B9R1.17 OCCCNC1CCC1 34a_100000749019_100000230001 [1,0,0,1,0,0|1,0,0]=3 11056 B9R1.17 OCCCNC1COC1 2230a_100016991112_100000230001 [1,0,0,1,0,0|2,0,0]=4 11057 B9R1.17 OCCCOC1CCC1 34a_100000748187_100000230001 [1,0,0,1,0,0|1,0,0]=3 11058 B9R1.17 OCCCOC1CSC1 7a_100000072292_100011215043 [1,0,0,1,0,0|2,0,0]=4 11059 B9R1.17 OCCCSC1CCC1 62a_100011215043_100000749161 [1,0,0,1,0,0|1,0,0]=3 11060 B9R1.17 OCCCSC1COC1 62a_100011215043_100009818527 [1,0,0,1,0,0|2,0,0]=4 11061 B9R1.17 OCCNCC1CCC1 2230a_100000738700_100000211926 [1,0,0,1,0,0|1,0,0]=3 11062 B9R1.17 OCCNCC1CCC1 2230a_100016997473_100000763275 [1,0,0,1,0,0|1,0,0]=3 11063 B9R1.17 OCCNCC1CCC1 269862a_100000210304_100000753134 [1,0,0,1,0,0|1,0,0]=3 11064 B9R1.17 OCCNCC1CCC1 34a_100000738700_100000211926 [1,0,0,1,0,0|1,0,0]=3 11065 B9R1.17 OCCNCC1CCC1 34a_100016990907_100000763275 [1,0,0,1,0,0|1,0,0]=3 11066 B9R1.17 OCCNCC1CCO1 2230a_100016997473_100000103362 [1,0,0,1,0,0|2,0,0]=4 11067 B9R1.17 OCCNCC1CCO1 34a_100016990907_100000103362 [1,0,0,1,0,0|2,0,0]=4 11068 B9R1.17 OCCNCC1COC1 2230a_100015281925_100000211926 [1,0,0,1,0,0|2,0,0]=4 11069 B9R1.17 OCCNCC1COC1 2230a_100016997473_100010264016 [1,0,0,1,0,0|2,0,0]=4 11070 B9R1.17 OCCNCC1COC1 34a_100015281925_100000211926 [1,0,0,1,0,0|2,0,0]=4 11071 B9R1.17 OCCNCC1COC1 34a_100016990907_100010264016 [1,0,0,1,0,0|2,0,0]=4 11072 B9R1.17 OCCNC[C@@H]1CCO1 2230a_100020831831_100000211926 [1,0,0,1,0,0|2,0,0]=4 11073 B9R1.17 OCCNC[C@@H]1CCO1 34a_100020831831_100000211926 [1,0,0,1,0,0|2,0,0]=4 11074 B9R1.17 OCCOCC1CCC1 34a_100000760304_100000211926 [1,0,0,1,0,0|1,0,0]=3 11075 B9R1.17 OCCOCC1CCO1 34a_100000039022_100000211926 [1,0,0,1,0,0|2,0,0]=4 11076 B9R1.17 OCCOCC1CNC1 34a_100016987283_100000211926 [1,0,0,1,0,0|2,0,0]=4 11077 B9R1.17 OCCOCC1COC1 34a_100000060846_100000211926 [1,0,0,1,0,0|2,0,0]=4 11078 B9R1.17 OCCSCC1CCC1 62a_100000211926_100000763275 [1,0,0,1,0,0|1,0,0]=3 11079 B9R1.17 OCCSCC1CCC1 62a_100000763275_100000211926 [1,0,0,1,0,0|1,0,0]=3 11080 B9R1.17 OCCSCC1CCO1 62a_100000103362_100000211926 [1,0,0,1,0,0|2,0,0]=4 11081 B9R1.17 OCCSCC1CCO1 62a_100000211926_100000103362 [1,0,0,1,0,0|2,0,0]=4 11082 B9R1.17 OCCSCC1COC1 62a_100000211926_100010264016 [1,0,0,1,0,0|2,0,0]=4 11083 B9R1.17 OCCSCC1COC1 62a_100010264016_100000211926 [1,0,0,1,0,0|2,0,0]=4 11084 B9R1.33 CC1CCCC1OCF 34a_100011216460_100015361967 [1,0,0,1,0,0|2,0,0]=4 11085 B9R1.33 CC1CCCC1OCF 7a_100011216460_100015361967 [1,0,0,1,0,0|2,0,0]=4 11086 B9R1.33 CC1SCCN1CCO 2230a_200011216479_100000211926 [1,0,0,1,0,0|2,0,0]=4 11087 B9R1.33 CC1SCCN1CCO 269982a_200011216479_100000211926 [1,0,0,1,0,0|2,0,0]=4 11088 B9R1.33 CC1SCCN1CCO 34a_200011216479_100000211926 [1,0,0,1,0,0|2,0,0]=4 11089 B9R1.33 CCCN1CCC[C@@H]1C 2230a_100020605311_100000210303 [1,0,0,1,0,0|2,0,0]=4 11090 B9R1.33 CCCN1CCC[C@@H]1C 269982a_100020605311_100000210303 [1,0,0,1,0,0|2,0,0]=4 11091 B9R1.33 CCCN1CCC[C@H]1C 2230a_100015189458_100000210303 [1,0,0,1,0,0|2,0,0]=4 11092 B9R1.33 CCCN1CCC[C@H]1C 269982a_100015189458_100000210303 [1,0,0,1,0,0|2,0,0]=4 11093 B9R1.33 CCCN1CCC[C@H]1C 34a_100015189458_100000210303 [1,0,0,1,0,0|2,0,0]=4 11094 B9R1.33 CCNC1CCCC1C 269862a_100015525214_100000752053 [1,0,0,1,0,0|2,0,0]=4 11095 B9R1.33 CCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000210202 [1,0,0,1,0,0|2,0,0]=4 11096 B9R1.33 CCOC1CCCC1C 34a_100011216460_100000210202 [1,0,0,1,0,0|2,0,0]=4 11097 B9R1.33 CCOC1CCCC1C 7a_100011216460_100000210202 [1,0,0,1,0,0|2,0,0]=4 11098 B9R1.33 CCOC1COCC1O 34a_100121572206_200000725654 [1,0,0,1,0,0|2,0,0]=4 11099 B9R1.33 CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210202 [1,0,0,1,0,0|2,0,0]=4 11100 B9R1.33 CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210202 [1,0,0,1,0,0|2,0,0]=4 11101 B9R1.33 CCSC1COCC1O 62a_100000210202_200000725654 [1,0,0,1,0,0|2,0,0]=4 11102 B9R1.33 CCSC1COCC1O 62a_200000725654_100000210202 [1,0,0,1,0,0|2,0,0]=4 11103 B9R1.33 CCS[C@@H]1CCC[C@H]1O 62a_100000210202_200016002552 [1,0,0,1,0,0|1,0,0]=3 11104 B9R1.33 CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210202 [1,0,0,1,0,0|1,0,0]=3 11105 B9R1.33 C[C@@H]1CCCN1CCF 2230a_100015189458_100011217306 [1,0,0,1,0,0|2,0,0]=4 11106 B9R1.33 C[C@@H]1CCCN1CCF 269982a_100015189458_100011217306 [1,0,0,1,0,0|2,0,0]=4 11107 B9R1.33 C[C@@H]1CCCN1CCF 34a_100015189458_100011217306 [1,0,0,1,0,0|2,0,0]=4 11108 B9R1.33 C[C@@H]1CCCN1CCO 2230a_100015189458_100000211926 [1,0,0,1,0,0|1,0,0]=3 11109 B9R1.33 C[C@@H]1CCCN1CCO 269982a_100015189458_100000211926 [1,0,0,1,0,0|1,0,0]=3 11110 B9R1.33 C[C@@H]1CCCN1CCO 34a_100015189458_100000211926 [1,0,0,1,0,0|1,0,0]=3 11111 B9R1.33 C[C@H]1CCCN1CCF 2230a_100020605311_100011217306 [1,0,0,1,0,0|2,0,0]=4 11112 B9R1.33 C[C@H]1CCCN1CCF 269982a_100020605311_100011217306 [1,0,0,1,0,0|2,0,0]=4 11113 B9R1.33 C[C@H]1CCCN1CCO 2230a_100020605311_100000211926 [1,0,0,1,0,0|1,0,0]=3 11114 B9R1.33 C[C@H]1CCCN1CCO 269982a_100020605311_100000211926 [1,0,0,1,0,0|1,0,0]=3 11115 B9R1.33 O[C@@H]1CCC[C@H]1SCF 62a_100015361967_200016002552 [1,0,0,1,0,0|2,0,0]=4 11116 B9R1.33 O[C@@H]1CCC[C@H]1SCF 62a_200016002552_100015361967 [1,0,0,1,0,0|2,0,0]=4 11117 B9R1.39 CC1CCN1CCCF 269982a_100000755817_100011934791 [1,0,0,1,0,0|2,0,0]=4 11118 B9R1.39 CC1CCN1CCCF 34a_100000755817_100011934791 [1,0,0,1,0,0|2,0,0]=4 11119 B9R1.39 CC1CCN1CCCO 269982a_100000755817_100011215043 [1,0,0,1,0,0|1,0,0]=3 11120 B9R1.39 CC1CCN1CCCO 34a_100000755817_100000230001 [1,0,0,1,0,0|1,0,0]=3 11121 B9R1.39 CCCCN1CCC1C 269982a_100000755817_100000210211 [1,0,0,1,0,0|2,0,0]=4 11122 B9R1.39 CCCCN1CCC1C 34a_100000755817_100000210210 [1,0,0,1,0,0|2,0,0]=4 11123 B9R1.50 CN1CCCCCCC1 2230a_100000211400_200000210301 [1,0,0,1,0,0|2,0,0]=4 11124 B9R1.50 CN1CCCCCCC1 269982a_100000211400_200000210301 [1,0,0,1,0,0|2,0,0]=4 11125 B9R1.50 CN1CCCCCCC1 34a_100000211400_200000210301 [1,0,0,1,0,0|2,0,0]=4 11126 B9R1.50 [13CH3]N1CCCCCCC1 2230a_100000211400_200025704644 [1,0,0,1,0,0|2,0,0]=4 11127 B9R1.50 [13CH3]N1CCCCCCC1 269982a_100000211400_200025704644 [1,0,0,1,0,0|2,0,0]=4 11128 B9R1.50 [13CH3]N1CCCCCCC1 34a_100000211400_200025704644 [1,0,0,1,0,0|2,0,0]=4 11129 B9R1.83 BrCCCCOC1CC1 34a_100011216708_100000211595 [1,0,0,1,0,0|2,0,0]=4 11130 B9R1.83 BrCCCOCC1CC1 34a_100011217188_100000742324 [1,0,0,1,0,0|2,0,0]=4 11131 B9R1.83 BrCCCOCC1CO1 34a_100011217188_102125554688 [1,0,0,1,0,0|2,0,0]=4 11132 B9R1.83 BrCCOCCC1CC1 34a_100000211926_100000694398 [1,0,0,1,0,0|2,0,0]=4 11133 B9R1.83 BrCCOCCC1CO1 34a_100000211926_100000732470 [1,0,0,1,0,0|2,0,0]=4 11134 B9R1.83 CCCCCNC1CC1 34a_100000212008_100000718602 [1,0,0,1,0,0|2,0,0]=4 11135 B9R1.83 CCCCCOC1CC1 34a_100000210253_100000211595 [1,0,0,1,0,0|2,0,0]=4 11136 B9R1.83 CCCCCSC1CC1 62a_100000210326_100000211595 [1,0,0,1,0,0|2,0,0]=4 11137 B9R1.83 CCCCNCC1CC1 2230a_100000102301_100000742324 [1,0,0,1,0,0|2,0,0]=4 11138 B9R1.83 CCCCNCC1CC1 2230a_100000735609_100000210211 [1,0,0,1,0,0|2,0,0]=4 11139 B9R1.83 CCCCNCC1CC1 269862a_100000102301_100000741477 [1,0,0,1,0,0|2,0,0]=4 11140 B9R1.83 CCCCNCC1CC1 34a_100000735609_100000210210 [1,0,0,1,0,0|2,0,0]=4 11141 B9R1.83 CCCCNCC1CC1 7a_106832991798_100000742324 [1,0,0,1,0,0|2,0,0]=4 11142 B9R1.83 CCCCNCC1CO1 2230a_100000102301_100011216344 [1,0,0,1,0,0|1,0,0]=3 11143 B9R1.83 CCCCNCC1CO1 7a_106832991798_102125554688 [1,0,0,1,0,0|1,0,0]=3 11144 B9R1.83 CCCCNCC1CS1 7a_106832991798_100000031435 [1,0,0,1,0,0|1,1,0]=4 11145 B9R1.83 CCCCNC[C@@H]1CO1 7a_106832991798_100000745022 [1,0,0,1,0,0|1,0,0]=3 11146 B9R1.83 CCCCOCC1CC1 34a_100000210227_100000742324 [1,0,0,1,0,0|2,0,0]=4 11147 B9R1.83 CCCCOCC1CC1 34a_100000211283_100000210210 [1,0,0,1,0,0|2,0,0]=4 11148 B9R1.83 CCCCOCC1CC1 7a_100000210227_100000742324 [1,0,0,1,0,0|2,0,0]=4 11149 B9R1.83 CCCCOCC1CO1 34a_100000210227_102125554688 [1,0,0,1,0,0|1,0,0]=3 11150 B9R1.83 CCCCOCC1CO1 7a_100000210227_102125554688 [1,0,0,1,0,0|1,0,0]=3 11151 B9R1.83 CCCCOCC1CS1 7a_100000210227_100000031435 [1,0,0,1,0,0|1,1,0]=4 11152 B9R1.83 CCCCOC[C@@H]1CO1 34a_100000757423_100000210210 [1,0,0,1,0,0|1,0,0]=3 11153 B9R1.83 CCCCOC[C@@H]1CO1 7a_100000210227_100000745022 [1,0,0,1,0,0|1,0,0]=3 11154 B9R1.83 CCCCSCC1CC1 62a_100000210211_100000742324 [1,0,0,1,0,0|2,0,0]=4 11155 B9R1.83 CCCCSCC1CC1 62a_100000756562_100000210210 [1,0,0,1,0,0|2,0,0]=4 11156 B9R1.83 CCCCSCC1CO1 62a_100000210211_102125554688 [1,0,0,1,0,0|1,0,0]=3 11157 B9R1.83 CCCCSCC1CO1 62a_102125554688_100000210210 [1,0,0,1,0,0|1,0,0]=3 11158 B9R1.83 CCCCSCC1CS1 62a_100000031435_100000210210 [1,0,0,1,0,0|1,1,0]=4 11159 B9R1.83 CCCCSCC1CS1 62a_100000210211_100000031435 [1,0,0,1,0,0|1,1,0]=4 11160 B9R1.83 CCCCSC[C@@H]1CO1 62a_100000210211_100000745022 [1,0,0,1,0,0|1,0,0]=3 11161 B9R1.83 CCCCSC[C@@H]1CO1 62a_100000745022_100000210210 [1,0,0,1,0,0|1,0,0]=3 11162 B9R1.83 CCCNCCC1CC1 34a_100000764129_100000210303 [1,0,0,1,0,0|2,0,0]=4 11163 B9R1.83 CCCOCCC1CC1 34a_100000210258_100000694398 [1,0,0,1,0,0|2,0,0]=4 11164 B9R1.83 CCCOCCC1CC1 34a_100000754188_100000210303 [1,0,0,1,0,0|2,0,0]=4 11165 B9R1.83 CCCOCCC1CC1 7a_100000754188_100000210303 [1,0,0,1,0,0|2,0,0]=4 11166 B9R1.83 CCCOCCC1CO1 34a_100000210258_100000732470 [1,0,0,1,0,0|1,0,0]=3 11167 B9R1.83 CCCOCC[C@@H]1CO1 34a_100009820653_100000210303 [1,0,0,1,0,0|1,0,0]=3 11168 B9R1.83 CCCSCCC1CC1 62a_100000210303_100000764125 [1,0,0,1,0,0|2,0,0]=4 11169 B9R1.83 CCCSCCC1CC1 62a_100000764125_100000210303 [1,0,0,1,0,0|2,0,0]=4 11170 B9R1.83 CCCSCCC1CO1 62a_100000210303_100000732470 [1,0,0,1,0,0|1,0,0]=3 11171 B9R1.83 CCCSCCC1CO1 62a_100000732470_100000210303 [1,0,0,1,0,0|1,0,0]=3 11172 B9R1.83 CCNCCCC1CO1 2230a_100015525214_100000733510 [1,0,0,1,0,0|1,0,0]=3 11173 B9R1.83 CCOCCCC1CO1 34a_100121572206_100000733510 [1,0,0,1,0,0|1,0,0]=3 11174 B9R1.83 CCOCSCC1CO1 62a_100000739092_102125554688 [1,0,0,1,0,0|2,0,0]=4 11175 B9R1.83 CCOCSCC1CO1 62a_102125554688_100000739092 [1,0,0,1,0,0|2,0,0]=4 11176 B9R1.83 CCOCSC[C@@H]1CO1 62a_100000739092_100000745022 [1,0,0,1,0,0|2,0,0]=4 11177 B9R1.83 CCOCSC[C@@H]1CO1 62a_100000745022_100000739092 [1,0,0,1,0,0|2,0,0]=4 11178 B9R1.83 CCSCCCC1CO1 62a_100000210202_100000733510 [1,0,0,1,0,0|1,0,0]=3 11179 B9R1.83 CCSCCCC1CO1 62a_100000733510_100000210202 [1,0,0,1,0,0|1,0,0]=3 11180 B9R1.83 COCCNCC1CO1 2230a_100000209980_100011216344 [1,0,0,1,0,0|2,0,0]=4 11181 B9R1.83 COCCOCC1CO1 34a_100000210237_102125554688 [1,0,0,1,0,0|2,0,0]=4 11182 B9R1.83 COCCOC[C@@H]1CO1 34a_100000757423_100011201679 [1,0,0,1,0,0|2,0,0]=4 11183 B9R1.83 COCCSCC1CO1 62a_100000233755_102125554688 [1,0,0,1,0,0|2,0,0]=4 11184 B9R1.83 COCCSCC1CO1 62a_102125554688_100000233755 [1,0,0,1,0,0|2,0,0]=4 11185 B9R1.83 COCCSC[C@@H]1CO1 62a_100000233755_100000745022 [1,0,0,1,0,0|2,0,0]=4 11186 B9R1.83 COCCSC[C@@H]1CO1 62a_100000745022_100000233755 [1,0,0,1,0,0|2,0,0]=4 11187 B9R1.83 COCSCCC1CO1 62a_100000732470_100000766300 [1,0,0,1,0,0|2,0,0]=4 11188 B9R1.83 COCSCCC1CO1 62a_100000766300_100000732470 [1,0,0,1,0,0|2,0,0]=4 11189 B9R1.83 CSCCNCC1CO1 2230a_100020590264_100011216344 [1,0,0,1,0,0|2,0,0]=4 11190 B9R1.83 CSCCOCC1CO1 34a_100000230434_102125554688 [1,0,0,1,0,0|2,0,0]=4 11191 B9R1.83 CSCCOCC1CO1 7a_100000230434_102125554688 [1,0,0,1,0,0|2,0,0]=4 11192 B9R1.83 CSCCOC[C@@H]1CO1 34a_100000757423_100000212216 [1,0,0,1,0,0|2,0,0]=4 11193 B9R1.83 CSCCOC[C@@H]1CO1 7a_100000230434_100000745022 [1,0,0,1,0,0|2,0,0]=4 11194 B9R1.83 CSCCSCC1CO1 62a_100000212216_102125554688 [1,0,0,1,0,0|2,0,0]=4 11195 B9R1.83 CSCCSCC1CO1 62a_102125554688_100000751147 [1,0,0,1,0,0|2,0,0]=4 11196 B9R1.83 CSCCSC[C@@H]1CO1 62a_100000212216_100000745022 [1,0,0,1,0,0|2,0,0]=4 11197 B9R1.83 CSCCSC[C@@H]1CO1 62a_100000745022_100000751147 [1,0,0,1,0,0|2,0,0]=4 11198 B9R1.83 CSCOCC[C@@H]1CO1 34a_100009820653_100011218213 [1,0,0,1,0,0|2,0,0]=4 11199 B9R1.83 CSCSCCC1CO1 62a_100000732470_100011218213 [1,0,0,1,0,0|2,0,0]=4 11200 B9R1.83 CSCSCCC1CO1 62a_100011218213_100000732470 [1,0,0,1,0,0|2,0,0]=4 11201 B9R1.83 ClCCCCOC1CC1 34a_100000210776_100000211595 [1,0,0,1,0,0|2,0,0]=4 11202 B9R1.83 ClCCCOCC1CC1 34a_100000230001_100000742324 [1,0,0,1,0,0|2,0,0]=4 11203 B9R1.83 ClCCCOCC1CO1 34a_100000230001_102125554688 [1,0,0,1,0,0|2,0,0]=4 11204 B9R1.83 FCCCCNC1CC1 34a_100000212008_100000729493 [1,0,0,1,0,0|2,0,0]=4 11205 B9R1.83 FCCCCOC1CC1 34a_100011995726_100000211595 [1,0,0,1,0,0|2,0,0]=4 11206 B9R1.83 FCCCCSC1CC1 62a_100000729493_100000211595 [1,0,0,1,0,0|2,0,0]=4 11207 B9R1.83 FCCCNCC1CC1 2230a_100000735609_100011934791 [1,0,0,1,0,0|2,0,0]=4 11208 B9R1.83 FCCCNCC1CC1 2230a_100015189416_100000742324 [1,0,0,1,0,0|2,0,0]=4 11209 B9R1.83 FCCCNCC1CC1 269862a_100015189416_100000741477 [1,0,0,1,0,0|2,0,0]=4 11210 B9R1.83 FCCCNCC1CC1 34a_100000735609_100011934791 [1,0,0,1,0,0|2,0,0]=4 11211 B9R1.83 FCCCNCC1CC1 34a_100015189416_100000742324 [1,0,0,1,0,0|2,0,0]=4 11212 B9R1.83 FCCCNCC1CO1 2230a_100015189416_100011216344 [1,0,0,1,0,0|2,0,0]=4 11213 B9R1.83 FCCCNCC1CO1 34a_100015189416_102125554688 [1,0,0,1,0,0|2,0,0]=4 11214 B9R1.83 FCCCOCC1CC1 34a_100000211283_100011934791 [1,0,0,1,0,0|2,0,0]=4 11215 B9R1.83 FCCCOCC1CC1 34a_100000759539_100000742324 [1,0,0,1,0,0|2,0,0]=4 11216 B9R1.83 FCCCOCC1CO1 34a_100000759539_102125554688 [1,0,0,1,0,0|2,0,0]=4 11217 B9R1.83 FCCCOC[C@@H]1CO1 34a_100000757423_100011934791 [1,0,0,1,0,0|2,0,0]=4 11218 B9R1.83 FCCCSCC1CC1 62a_100000756562_100011934791 [1,0,0,1,0,0|2,0,0]=4 11219 B9R1.83 FCCCSCC1CC1 62a_100011934791_100000742324 [1,0,0,1,0,0|2,0,0]=4 11220 B9R1.83 FCCCSCC1CO1 62a_100011934791_102125554688 [1,0,0,1,0,0|2,0,0]=4 11221 B9R1.83 FCCCSCC1CO1 62a_102125554688_100011934791 [1,0,0,1,0,0|2,0,0]=4 11222 B9R1.83 FCCCSC[C@@H]1CO1 62a_100000745022_100011934791 [1,0,0,1,0,0|2,0,0]=4 11223 B9R1.83 FCCCSC[C@@H]1CO1 62a_100011934791_100000745022 [1,0,0,1,0,0|2,0,0]=4 11224 B9R1.83 FCCNCCC1CC1 34a_100000724931_100000694398 [1,0,0,1,0,0|2,0,0]=4 11225 B9R1.83 FCCNCCC1CC1 34a_100000764129_100011217306 [1,0,0,1,0,0|2,0,0]=4 11226 B9R1.83 FCCNCCC1CO1 34a_100000724931_100000732470 [1,0,0,1,0,0|2,0,0]=4 11227 B9R1.83 FCCOCCC1CC1 34a_100000754188_100011217306 [1,0,0,1,0,0|2,0,0]=4 11228 B9R1.83 FCCOCCC1CC1 7a_100000754188_100011217306 [1,0,0,1,0,0|2,0,0]=4 11229 B9R1.83 FCCOCC[C@@H]1CO1 34a_100009820653_100011217306 [1,0,0,1,0,0|2,0,0]=4 11230 B9R1.83 FCCSCCC1CC1 62a_100000764125_100011217306 [1,0,0,1,0,0|2,0,0]=4 11231 B9R1.83 FCCSCCC1CC1 62a_100011217306_100000764125 [1,0,0,1,0,0|2,0,0]=4 11232 B9R1.83 FCCSCCC1CO1 62a_100000732470_100011217306 [1,0,0,1,0,0|2,0,0]=4 11233 B9R1.83 FCCSCCC1CO1 62a_100011217306_100000732470 [1,0,0,1,0,0|2,0,0]=4 11234 B9R1.83 FCSCCCC1CO1 62a_100000733510_100015361967 [1,0,0,1,0,0|2,0,0]=4 11235 B9R1.83 FCSCCCC1CO1 62a_100015361967_100000733510 [1,0,0,1,0,0|2,0,0]=4 11236 B9R1.83 ICCCCOC1CC1 34a_200012148704_100000211595 [1,0,0,1,0,0|2,0,0]=4 11237 B9R1.83 NCCCCOC1CC1 34a_100000750430_100000211595 [1,0,0,1,0,0|2,0,0]=4 11238 B9R1.83 NCCCOCC1CC1 34a_100000182051_100000742324 [1,0,0,1,0,0|2,0,0]=4 11239 B9R1.83 NCCCOCC1CO1 34a_100000182051_102125554688 [1,0,0,1,0,0|2,0,0]=4 11240 B9R1.83 NCCOCCC1CC1 34a_100000210304_100000694398 [1,0,0,1,0,0|2,0,0]=4 11241 B9R1.83 NCCOCCC1CO1 34a_100000210304_100000732470 [1,0,0,1,0,0|2,0,0]=4 11242 B9R1.83 OCCCCNC1CC1 34a_100000212008_100011216708 [1,0,0,1,0,0|1,0,0]=3 11243 B9R1.83 OCCCCNC1CC1 34a_100000750430_100000211595 [1,0,0,1,0,0|1,0,0]=3 11244 B9R1.83 OCCCCSC1CC1 62a_100000210776_100000211595 [1,0,0,1,0,0|1,0,0]=3 11245 B9R1.83 OCCCNCC1CC1 2230a_100000735609_100000230001 [1,0,0,1,0,0|1,0,0]=3 11246 B9R1.83 OCCCNCC1CC1 269862a_100000182051_100000741477 [1,0,0,1,0,0|1,0,0]=3 11247 B9R1.83 OCCCNCC1CC1 34a_100000735609_100000230001 [1,0,0,1,0,0|1,0,0]=3 11248 B9R1.83 OCCCOCC1CC1 34a_100000211283_100000230001 [1,0,0,1,0,0|1,0,0]=3 11249 B9R1.83 OCCCOC[C@@H]1CO1 34a_100000757423_100000230001 [1,0,0,1,0,0|2,0,0]=4 11250 B9R1.83 OCCCSCC1CC1 62a_100000756562_100011215043 [1,0,0,1,0,0|1,0,0]=3 11251 B9R1.83 OCCCSCC1CC1 62a_100011215043_100000742324 [1,0,0,1,0,0|1,0,0]=3 11252 B9R1.83 OCCCSCC1CO1 62a_100011215043_102125554688 [1,0,0,1,0,0|2,0,0]=4 11253 B9R1.83 OCCCSCC1CO1 62a_102125554688_100011215043 [1,0,0,1,0,0|2,0,0]=4 11254 B9R1.83 OCCCSCC1CS1 62a_100000031435_100011215043 [1,0,0,1,0,0|2,0,0]=4 11255 B9R1.83 OCCCSCC1CS1 62a_100011215043_100000031435 [1,0,0,1,0,0|2,0,0]=4 11256 B9R1.83 OCCCSC[C@@H]1CO1 62a_100000745022_100011215043 [1,0,0,1,0,0|2,0,0]=4 11257 B9R1.83 OCCCSC[C@@H]1CO1 62a_100011215043_100000745022 [1,0,0,1,0,0|2,0,0]=4 11258 B9R1.83 OCCNCCC1CC1 2230a_100016997473_100000694398 [1,0,0,1,0,0|1,0,0]=3 11259 B9R1.83 OCCNCCC1CC1 34a_100000764129_100000211926 [1,0,0,1,0,0|1,0,0]=3 11260 B9R1.83 OCCNCCC1CC1 34a_100016990907_100000694398 [1,0,0,1,0,0|1,0,0]=3 11261 B9R1.83 OCCNCCC1CO1 2230a_100016997473_100000732470 [1,0,0,1,0,0|2,0,0]=4 11262 B9R1.83 OCCNCCC1CO1 34a_100016990907_100000732470 [1,0,0,1,0,0|2,0,0]=4 11263 B9R1.83 OCCOCCC1CC1 34a_100000754188_100000211926 [1,0,0,1,0,0|1,0,0]=3 11264 B9R1.83 OCCOCCC1CC1 7a_100000754188_100000211926 [1,0,0,1,0,0|1,0,0]=3 11265 B9R1.83 OCCOCC[C@@H]1CO1 34a_100009820653_100000211926 [1,0,0,1,0,0|2,0,0]=4 11266 B9R1.83 OCCSCCC1CC1 62a_100000211926_100000764125 [1,0,0,1,0,0|1,0,0]=3 11267 B9R1.83 OCCSCCC1CC1 62a_100000764125_100000211926 [1,0,0,1,0,0|1,0,0]=3 11268 B9R1.83 OCCSCCC1CO1 62a_100000211926_100000732470 [1,0,0,1,0,0|2,0,0]=4 11269 B9R1.83 OCCSCCC1CO1 62a_100000732470_100000211926 [1,0,0,1,0,0|2,0,0]=4 11270 B9R1.89 CCN1CCCCCC1 2230a_100000185865_100000210202 [1,0,0,1,0,0|2,0,0]=4 11271 B9R1.89 CCN1CCCCCC1 269982a_100000185865_100000204670 [1,0,0,1,0,0|2,0,0]=4 11272 B9R1.89 CCN1CCCCCC1 34a_100000185865_100000210202 [1,0,0,1,0,0|2,0,0]=4 11273 B9R1.89 CNC1CCCCCC1 2230a_100000210984_200000210301 [1,0,0,1,0,0|2,0,0]=4 11274 B9R1.89 CNC1CCCCCC1 270004a_106832991635_100000210131 [1,0,0,1,0,0|2,0,0]=4 11275 B9R1.89 CNC1CCCCCC1 34a_100000210984_200000210301 [1,0,0,1,0,0|2,0,0]=4 11276 B9R1.89 CNC1CCCCCC1 34a_100102657272_100011217769 [1,0,0,1,0,0|2,0,0]=4 11277 B9R1.89 COC1CCCCCC1 34a_100000210887_200000210301 [1,0,0,1,0,0|2,0,0]=4 11278 B9R1.89 COC1CCCCCC1 34a_100138415774_100011217769 [1,0,0,1,0,0|2,0,0]=4 11279 B9R1.89 COC1CCCCCC1 7a_100000210887_200000210301 [1,0,0,1,0,0|2,0,0]=4 11280 B9R1.89 CSC1CCCCCC1 62a_100011217769_200000210301 [1,0,0,1,0,0|2,0,0]=4 11281 B9R1.89 CSC1CCCCCC1 62a_200000210301_100011217769 [1,0,0,1,0,0|2,0,0]=4 11282 B9R1.89 FCN1CCCCCC1 269982a_100000185865_100015361967 [1,0,0,1,0,0|2,0,0]=4 11283 B9R1.89 FCN1CCCCCC1 34a_100000185865_100015361967 [1,0,0,1,0,0|2,0,0]=4 11284 B9R1.89 [13CH3]NC1CCCCCC1 2230a_100000210984_200025704644 [1,0,0,1,0,0|2,0,0]=4 11285 B9R1.89 [13CH3]NC1CCCCCC1 34a_100000210984_200025704644 [1,0,0,1,0,0|2,0,0]=4 11286 B9R1.89 [13CH3]OC1CCCCCC1 34a_100000210887_200025704644 [1,0,0,1,0,0|2,0,0]=4 11287 B9R1.89 [13CH3]OC1CCCCCC1 7a_100000210887_200025704644 [1,0,0,1,0,0|2,0,0]=4 11288 B9R1.89 [13CH3]SC1CCCCCC1 62a_100011217769_200025704644 [1,0,0,1,0,0|2,0,0]=4 11289 B9R1.89 [13CH3]SC1CCCCCC1 62a_200025704644_100011217769 [1,0,0,1,0,0|2,0,0]=4 11290 B9R1.1 CCN1CCC(CC1)O 2230a_100025773856_100000210202 [1,0,0,1,0,0|2,0,0]=4 11291 B9R1.1 CCN1CCC(CC1)O 269982a_100025773856_100000204670 [1,0,0,1,0,0|2,0,0]=4 11292 B9R1.1 CNC1CCC(CC1)O 270004a_106832991635_100000764474 [1,0,0,1,0,0|2,0,0]=4 11293 B9R1.2 CN1CCCC(C1)CO 2230a_100000211344_200000210301 [1,0,0,1,0,0|2,0,0]=4 11294 B9R1.2 CN1CCCC(C1)CO 269982a_100000211344_200000210301 [1,0,0,1,0,0|2,0,0]=4 11295 B9R1.2 CN1CCCC(C1)CO 34a_100000211344_200000210301 [1,0,0,1,0,0|2,0,0]=4 11296 B9R1.2 [13CH3]N1CCCC(C1)CO 2230a_100000211344_200025704644 [1,0,0,1,0,0|2,0,0]=4 11297 B9R1.2 [13CH3]N1CCCC(C1)CO 269982a_100000211344_200025704644 [1,0,0,1,0,0|2,0,0]=4 11298 B9R1.2 [13CH3]N1CCCC(C1)CO 34a_100000211344_200025704644 [1,0,0,1,0,0|2,0,0]=4 11299 B9R1.7 CCCN1CCC(C1)O 2230a_100011215560_100000210303 [1,0,0,1,0,0|2,0,0]=4 11300 B9R1.7 CCCN1CCC(C1)O 269982a_100011215560_100000210303 [1,0,0,1,0,0|2,0,0]=4 11301 B9R1.7 CCNC1CCC(C1)O 270004a_100015525214_100012614533 [1,0,0,1,0,0|2,0,0]=4 11302 B9R1.7 CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210202 [1,0,0,1,0,0|2,0,0]=4 11303 B9R1.11 CC(CO)N1CCCC1 2230a_100000188435_100012180447 [1,0,0,1,0,0|2,0,0]=4 11304 B9R1.11 C[C@H](CO)N1CCCC1 269982a_100000188435_100016084084 [1,0,0,1,0,0|2,0,0]=4 11305 B9R1.11 O=C(CO)C1CCCC1 1458a_100000210174_100000179811 [1,0,0,1,0,0|0,0,2]=4 11306 B9R1.21 CCN1CCC(C1)CO 2230a_100000748654_100000210202 [1,0,0,1,0,0|2,0,0]=4 11307 B9R1.21 CCN1CCC(C1)CO 269982a_100000748654_100000204670 [1,0,0,1,0,0|2,0,0]=4 11308 B9R1.21 CCN1CCC(C1)CO 34a_100000748654_100000210202 [1,0,0,1,0,0|2,0,0]=4 11309 B9R1.49 CN1CCCC(CC1)O 2230a_100015186869_200000210301 [1,0,0,1,0,0|2,0,0]=4 11310 B9R1.49 CN1CCCC(CC1)O 269982a_100015186869_200000210301 [1,0,0,1,0,0|2,0,0]=4 11311 B9R1.49 [13CH3]N1CCCC(CC1)O 2230a_100015186869_200025704644 [1,0,0,1,0,0|2,0,0]=4 11312 B9R1.49 [13CH3]N1CCCC(CC1)O 269982a_100015186869_200025704644 [1,0,0,1,0,0|2,0,0]=4 11313 B9R1.58 CCCN1CC(C1)CO 269982a_100016987283_100000210303 [1,0,0,1,0,0|2,0,0]=4 11314 B9R1.58 CCCN1CC(C1)CO 34a_100016987283_100000210303 [1,0,0,1,0,0|2,0,0]=4 11315 B9R1.58 CCNC1CC(C1)CO 270004a_100015525214_100000101936 [1,0,0,1,0,0|2,0,0]=4 11316 B9R1.58 CCSC1CC(C1)CO 62a_100000210202_100009874164 [1,0,0,1,0,0|2,0,0]=4 11317 B9R1.58 CCSC1CC(C1)CO 62a_100009874164_100000210202 [1,0,0,1,0,0|2,0,0]=4 11318 B9R1.79 CC(CO)NC1CCC1 2230a_100000749019_100012180447 [1,0,0,1,0,0|2,0,0]=4 11319 B9R1.79 CC(CO)NC1CCC1 34a_100000749019_100012180447 [1,0,0,1,0,0|2,0,0]=4 11320 B9R1.79 CC(CO)OC1CCC1 34a_100000748187_100012180447 [1,0,0,1,0,0|2,0,0]=4 11321 B9R1.79 CC(CO)SC1CCC1 62a_100012180447_100000749161 [1,0,0,1,0,0|2,0,0]=4 11322 B9R1.79 CCC(O)CN1CCC1 269982a_100000754969_100011218378 [1,0,0,1,0,0|2,0,0]=4 11323 B9R1.79 C[C@@H](CO)CN1CCC1 269982a_100000754969_100000059175 [1,0,0,1,0,0|2,0,0]=4 11324 B9R1.79 C[C@H](CO)NC1CCC1 270004a_100000737577_100000241760 [1,0,0,1,0,0|2,0,0]=4 11325 B9R1.79 C[C@H](CO)SC1CCC1 62a_100016084084_100000749161 [1,0,0,1,0,0|2,0,0]=4 11326 B9R1.79 O=C(CO)CC1CCC1 1458a_100000210174_100000763275 [1,0,0,1,0,0|0,0,2]=4 11327 B9R1.80 CC(CO)CNC1CC1 34a_100000744482_100000211595 [1,0,0,1,0,0|2,0,0]=4 11328 B9R1.80 CC(CO)NCC1CC1 2230a_100000735609_100012180447 [1,0,0,1,0,0|2,0,0]=4 11329 B9R1.80 CC(CO)NCC1CC1 34a_100000735609_100012180447 [1,0,0,1,0,0|2,0,0]=4 11330 B9R1.80 CC(CO)OCC1CC1 34a_100000211283_100012180447 [1,0,0,1,0,0|2,0,0]=4 11331 B9R1.80 CC(CO)SCC1CC1 62a_100012180447_100000742324 [1,0,0,1,0,0|2,0,0]=4 11332 B9R1.80 CCC(O)CNC1CC1 34a_100000212008_100011218378 [1,0,0,1,0,0|2,0,0]=4 11333 B9R1.80 CCC(O)CSC1CC1 62a_100011218378_100000211595 [1,0,0,1,0,0|2,0,0]=4 11334 B9R1.80 C[C@@H](CO)CNC1CC1 34a_100000212008_100000059175 [1,0,0,1,0,0|2,0,0]=4 11335 B9R1.80 C[C@@H](CO)CSC1CC1 62a_100000059175_100000211595 [1,0,0,1,0,0|2,0,0]=4 11336 B9R1.80 C[C@H](CO)NCC1CC1 2230a_100000737577_100000742324 [1,0,0,1,0,0|2,0,0]=4 11337 B9R1.80 C[C@H](CO)NCC1CC1 269862a_100000737577_100000741477 [1,0,0,1,0,0|2,0,0]=4 11338 B9R1.80 C[C@H](CO)SCC1CC1 62a_100000756562_100016084084 [1,0,0,1,0,0|2,0,0]=4 11339 B9R1.80 C[C@H](CO)SCC1CC1 62a_100016084084_100000742324 [1,0,0,1,0,0|2,0,0]=4 11340 B9R1.80 O=C(CO)CCC1CC1 1458a_100000210174_100000694398 [1,0,0,1,0,0|0,0,2]=4 11341 B9R1.80 OCC(O)CNC1CC1 34a_100000212008_100011219619 [1,0,0,1,0,0|1,0,0]=3 11342 B9R1.80 OCC(O)CSC1CC1 62a_100011219619_100000211595 [1,0,0,1,0,0|1,0,0]=3 11343 B9R1.80 OC[C@H](F)CNC1CC1 34a_100015665980_100000211595 [1,0,0,1,0,0|2,0,0]=4 11344 B9R1.80 OC[C@H](O)CNC1CC1 34a_100000212008_100009815848 [1,0,0,1,0,0|1,0,0]=3 11345 B9R1.80 OC[C@H](O)CSC1CC1 62a_100009815848_100000211595 [1,0,0,1,0,0|1,0,0]=3 11346 B9R1.80 O[C@@H](CF)CNC1CC1 34a_100000212008_100015614560 [1,0,0,1,0,0|2,0,0]=4 11347 B9R1.80 O[C@@H](CF)CSC1CC1 62a_100015614560_100000211595 [1,0,0,1,0,0|2,0,0]=4 11348 B9R1.81 CC(CO)N1CCC1C 34a_100000755817_100012180447 [1,0,0,1,0,0|2,0,0]=4 11349 B9R1.81 CC1CCN1[C@H](C)CO 269982a_100000755817_100016084084 [1,0,0,1,0,0|2,0,0]=4 11350 B9R1.99 CCCNCC1(CC1)O 2230a_100011936951_100000210303 [1,0,0,1,0,0|2,0,0]=4 11351 B9R1.99 CCCOCC1(CO1)C 34a_100000210258_100000760498 [1,0,0,1,0,0|2,0,0]=4 11352 B9R1.99 CCCSCC1(CO1)C 62a_100000210303_100000760498 [1,0,0,1,0,0|2,0,0]=4 11353 B9R1.99 CCCSCC1(CO1)C 62a_100000760498_100000210303 [1,0,0,1,0,0|2,0,0]=4 11354 B9R1.135 CCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210303 [1,0,0,1,0,0|2,0,0]=4 11355 B9R1.135 CCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210303 [1,0,0,1,0,0|2,0,0]=4 11356 B9R1.202 CN1CCC[C@@]1(C)CO 2230a_100016195882_200000210301 [1,0,0,1,0,0|2,0,0]=4 11357 B9R1.202 CN1CCC[C@@]1(C)CO 269982a_100016195882_200000210301 [1,0,0,1,0,0|2,0,0]=4 11358 B9R1.202 CN1CCC[C@@]1(C)CO 34a_100016195882_200000210301 [1,0,0,1,0,0|2,0,0]=4 11359 B9R1.202 C[C@]1(CCCN1[13CH3])CO 2230a_100016195882_200025704644 [1,0,0,1,0,0|2,0,0]=4 11360 B9R1.202 C[C@]1(CCCN1[13CH3])CO 269982a_100016195882_200025704644 [1,0,0,1,0,0|2,0,0]=4 11361 B9R1.202 C[C@]1(CCCN1[13CH3])CO 34a_100016195882_200025704644 [1,0,0,1,0,0|2,0,0]=4 11362 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [1,0,0,1,0,0|0,0,2]=4 11363 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [1,0,0,1,0,0|0,0,2]=4 11364 B9R1.6 CN(C)C1CCCCC1 2230a_100000207522_200000210301 [1,0,0,1,0,0|2,0,0]=4 11365 B9R1.6 CN(C)C1CCCCC1 269982a_100000207522_200000210301 [1,0,0,1,0,0|2,0,0]=4 11366 B9R1.6 CN(C)C1CCCCC1 269982a_100102631434_100000210327 [1,0,0,1,0,0|2,0,0]=4 11367 B9R1.6 CN(C)C1CCCCC1 270004a_100102631434_100000210434 [1,0,0,1,0,0|2,0,0]=4 11368 B9R1.6 CN(C)C1CCCCC1 34a_100000207522_200000210301 [1,0,0,1,0,0|2,0,0]=4 11369 B9R1.6 CN([13CH3])C1CCCCC1 2230a_100000207522_200025704644 [1,0,0,1,0,0|2,0,0]=4 11370 B9R1.6 CN([13CH3])C1CCCCC1 269982a_100000207522_200025704644 [1,0,0,1,0,0|2,0,0]=4 11371 B9R1.6 CN([13CH3])C1CCCCC1 34a_100000207522_200025704644 [1,0,0,1,0,0|2,0,0]=4 11372 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [1,0,0,1,0,0|0,0,2]=4 11373 B9R1.9 CCCCN1CC(C1)C 2230a_100000702820_100000210211 [1,0,0,1,0,0|2,0,0]=4 11374 B9R1.9 CCCCN1CC(C1)C 269982a_100000702820_100000210211 [1,0,0,1,0,0|2,0,0]=4 11375 B9R1.9 CCCCN1CC(C1)C 34a_100000702820_100000210210 [1,0,0,1,0,0|2,0,0]=4 11376 B9R1.9 CCCCN1CC(C1)F 2230a_100000690557_100000210211 [1,0,0,1,0,0|2,0,0]=4 11377 B9R1.9 CCCCN1CC(C1)F 269982a_100000690557_100000210211 [1,0,0,1,0,0|2,0,0]=4 11378 B9R1.9 CCCCN1CC(C1)F 34a_100000690557_100000210210 [1,0,0,1,0,0|2,0,0]=4 11379 B9R1.9 CCCCN1CC(C1)O 269982a_100000749847_100000210211 [1,0,0,1,0,0|1,0,0]=3 11380 B9R1.9 CCCNC1CC(C1)F 2230a_100016993743_100000210303 [1,0,0,1,0,0|2,0,0]=4 11381 B9R1.9 CCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210303 [1,0,0,1,0,0|1,0,0]=3 11382 B9R1.9 CCNCC1CC(C1)O 2230a_100016992100_100000210202 [1,0,0,1,0,0|1,0,0]=3 11383 B9R1.9 CCOCC1CC(C1)Cl 34a_100009874164_100000210202 [1,0,0,1,0,0|2,0,0]=4 11384 B9R1.9 CCOCN1CC(C1)O 269982a_100000749847_100000739092 [1,0,0,1,0,0|2,0,0]=4 11385 B9R1.9 COCCN1CC(C1)O 269982a_100000749847_100000233755 [1,0,0,1,0,0|2,0,0]=4 11386 B9R1.9 COCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000766300 [1,0,0,1,0,0|2,0,0]=4 11387 B9R1.9 CSCCN1CC(C1)O 269982a_100000749847_100000212216 [1,0,0,1,0,0|2,0,0]=4 11388 B9R1.9 CSCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100011218213 [1,0,0,1,0,0|2,0,0]=4 11389 B9R1.9 OC1CN(C1)CCCF 269982a_100000749847_100011934791 [1,0,0,1,0,0|2,0,0]=4 11390 B9R1.9 OCCCN1CC(C1)O 269982a_100000749847_100011215043 [1,0,0,1,0,0|2,0,0]=4 11391 B9R1.9 OCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000211926 [1,0,0,1,0,0|2,0,0]=4 11392 B9R1.9 O[C@H]1C[C@@H](C1)NCCF 2230a_100020629032_100011217306 [1,0,0,1,0,0|2,0,0]=4 11393 B9R1.13 CC(=O)CC1CCCC1 1458a_100000070787_100000740388 [1,0,0,1,0,0|0,0,2]=4 11394 B9R1.13 CC(=O)CC1CCCC1 1458a_100000210891_200000210301 [1,0,0,1,0,0|0,0,2]=4 11395 B9R1.13 CC(C)CN1CCCC1 2230a_100000188435_100000210760 [1,0,0,1,0,0|2,0,0]=4 11396 B9R1.13 CC(C)CN1CCCC1 269982a_100000188435_100000210624 [1,0,0,1,0,0|2,0,0]=4 11397 B9R1.13 CC(C)CN1CCCC1 270004a_100000188435_100000210432 [1,0,0,1,0,0|2,0,0]=4 11398 B9R1.13 CC(C)NC1CCCC1 2230a_100000211070_100000210206 [1,0,0,1,0,0|2,0,0]=4 11399 B9R1.13 CC(C)NC1CCCC1 2230a_100138425928_100000179811 [1,0,0,1,0,0|2,0,0]=4 11400 B9R1.13 CC(C)NC1CCCC1 34a_100000211070_100000210206 [1,0,0,1,0,0|2,0,0]=4 11401 B9R1.13 CC(C)NC1CCCC1 34a_100138425928_100000179811 [1,0,0,1,0,0|2,0,0]=4 11402 B9R1.13 CC(C)OC1CCCC1 34a_100000210269_100000210206 [1,0,0,1,0,0|2,0,0]=4 11403 B9R1.13 CC(C)OC1CCCC1 34a_100000212225_100000179811 [1,0,0,1,0,0|2,0,0]=4 11404 B9R1.13 CC(C)OC1CCCC1 7a_100000210269_100000210206 [1,0,0,1,0,0|2,0,0]=4 11405 B9R1.13 CC(C)SC1CCCC1 62a_100000210206_100000179811 [1,0,0,1,0,0|2,0,0]=4 11406 B9R1.13 CC(C)SC1CCCC1 62a_100011217020_100000210206 [1,0,0,1,0,0|2,0,0]=4 11407 B9R1.13 CC(O)CN1CCCC1 2230a_100000188435_100011218427 [1,0,0,1,0,0|1,0,0]=3 11408 B9R1.13 CC(O)CN1CCCC1 269982a_100000188435_100011218427 [1,0,0,1,0,0|1,0,0]=3 11409 B9R1.13 CC(O)CN1CCSC1 2230a_100011215254_100011218427 [1,0,0,1,0,0|2,0,0]=4 11410 B9R1.13 CC(O)CN1CCSC1 269982a_100011215254_100011218427 [1,0,0,1,0,0|2,0,0]=4 11411 B9R1.13 CN(C)CC1CCCC1 2230a_100102631434_100000740388 [1,0,0,1,0,0|2,0,0]=4 11412 B9R1.13 CN(C)CC1CCCC1 269982a_100102631434_100000740388 [1,0,0,1,0,0|2,0,0]=4 11413 B9R1.13 C[C@@H](O)CN1CCCC1 2230a_100000188435_100009817552 [1,0,0,1,0,0|1,0,0]=3 11414 B9R1.13 C[C@@H](O)CN1CCCC1 269982a_100000188435_100009817552 [1,0,0,1,0,0|1,0,0]=3 11415 B9R1.13 C[C@@H](O)CN1CCSC1 2230a_100011215254_100009817552 [1,0,0,1,0,0|2,0,0]=4 11416 B9R1.13 C[C@@H](O)CN1CCSC1 269982a_100011215254_100009817552 [1,0,0,1,0,0|2,0,0]=4 11417 B9R1.13 [13CH3]C(=O)CC1CCCC1 1458a_100000210891_200025704644 [1,0,0,1,0,0|0,0,2]=4 11418 B9R1.24 CC1(CCCC1O[13CH3])C 34a_100000726220_200025704644 [1,0,0,1,0,0|2,0,0]=4 11419 B9R1.24 CC1(CCCC1O[13CH3])C 7a_100000726220_200025704644 [1,0,0,1,0,0|2,0,0]=4 11420 B9R1.24 CCN1CCCC1(C)C 2230a_100000761399_100000210202 [1,0,0,1,0,0|2,0,0]=4 11421 B9R1.24 CCN1CCCC1(C)C 269982a_100000761399_100000204670 [1,0,0,1,0,0|2,0,0]=4 11422 B9R1.24 CCN1CCCC1(C)C 34a_100000761399_100000210202 [1,0,0,1,0,0|2,0,0]=4 11423 B9R1.24 CNC1CCCC1(C)C 269862a_106832991636_100000065263 [1,0,0,1,0,0|2,0,0]=4 11424 B9R1.24 CN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_200000210301 [1,0,0,1,0,0|1,0,0]=3 11425 B9R1.24 CN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_200000210301 [1,0,0,1,0,0|1,0,0]=3 11426 B9R1.24 COC1CCCC1(C)C 34a_100000726220_200000210301 [1,0,0,1,0,0|2,0,0]=4 11427 B9R1.24 COC1CCCC1(C)C 7a_100000726220_200000210301 [1,0,0,1,0,0|2,0,0]=4 11428 B9R1.24 C[C@]1(CCC[C@H]1N[13CH3])O 2230a_100015977457_200025704644 [1,0,0,1,0,0|1,0,0]=3 11429 B9R1.24 C[C@]1(CCC[C@H]1N[13CH3])O 34a_100015977457_200025704644 [1,0,0,1,0,0|1,0,0]=3 11430 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [1,0,0,1,0,0|0,0,2]=4 11431 B9R1.41 CC(C)C1CCCN1C 2230a_100000762757_200000210301 [1,0,0,1,0,0|2,0,0]=4 11432 B9R1.41 CC(C)C1CCCN1C 269982a_100000762757_200000210301 [1,0,0,1,0,0|2,0,0]=4 11433 B9R1.41 CC(C)C1CCCN1C 34a_100000762757_200000210301 [1,0,0,1,0,0|2,0,0]=4 11434 B9R1.41 CC(C)C1CCCN1[13CH3] 2230a_100000762757_200025704644 [1,0,0,1,0,0|2,0,0]=4 11435 B9R1.41 CC(C)C1CCCN1[13CH3] 269982a_100000762757_200025704644 [1,0,0,1,0,0|2,0,0]=4 11436 B9R1.41 CC(C)C1CCCN1[13CH3] 34a_100000762757_200025704644 [1,0,0,1,0,0|2,0,0]=4 11437 B9R1.41 CC(C)N1CCC[C@@H]1C 2230a_100020605311_100000210206 [1,0,0,1,0,0|2,0,0]=4 11438 B9R1.41 CC(C)N1CCC[C@@H]1C 269982a_100020605311_100000210206 [1,0,0,1,0,0|2,0,0]=4 11439 B9R1.41 CC(C)N1CCC[C@H]1C 2230a_100015189458_100000210206 [1,0,0,1,0,0|2,0,0]=4 11440 B9R1.41 CC(C)N1CCC[C@H]1C 269982a_100015189458_100000210206 [1,0,0,1,0,0|2,0,0]=4 11441 B9R1.41 CC(C)N1CCC[C@H]1C 34a_100015189458_100000210206 [1,0,0,1,0,0|2,0,0]=4 11442 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [1,0,0,1,0,0|0,0,2]=4 11443 B9R1.46 CC(C)OCC1CC1C 34a_100000744939_100000210206 [1,0,0,1,0,0|2,0,0]=4 11444 B9R1.46 CC(C)OCC1CC1C 7a_100000744939_100000210206 [1,0,0,1,0,0|2,0,0]=4 11445 B9R1.46 CC(O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100011218427 [1,0,0,1,0,0|2,0,0]=4 11446 B9R1.46 CC(O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100011218427 [1,0,0,1,0,0|2,0,0]=4 11447 B9R1.46 CC(O)CN[C@@H]1C[C@H]1F 34a_100025746932_100011218427 [1,0,0,1,0,0|2,0,0]=4 11448 B9R1.46 C[C@@H](O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100009817552 [1,0,0,1,0,0|2,0,0]=4 11449 B9R1.46 C[C@@H](O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100009817552 [1,0,0,1,0,0|2,0,0]=4 11450 B9R1.46 C[C@@H](O)CN[C@@H]1C[C@H]1F 34a_100025746932_100009817552 [1,0,0,1,0,0|2,0,0]=4 11451 B9R1.48 CN1CCCCC(C1)O 2230a_100025706797_200000210301 [1,0,0,1,0,0|1,0,0]=3 11452 B9R1.48 CN1CCCCC(C1)O 269982a_100025706797_200000210301 [1,0,0,1,0,0|1,0,0]=3 11453 B9R1.48 CN1CCOC[C@@H](C1)O 2230a_100016073750_200000210301 [1,0,0,1,0,0|2,0,0]=4 11454 B9R1.48 CN1CCOC[C@@H](C1)O 269982a_100016073750_200000210301 [1,0,0,1,0,0|2,0,0]=4 11455 B9R1.48 [13CH3]N1CCCCC(C1)O 2230a_100025706797_200025704644 [1,0,0,1,0,0|1,0,0]=3 11456 B9R1.48 [13CH3]N1CCCCC(C1)O 269982a_100025706797_200025704644 [1,0,0,1,0,0|1,0,0]=3 11457 B9R1.48 [13CH3]N1CCOC[C@@H](C1)O 2230a_100016073750_200025704644 [1,0,0,1,0,0|2,0,0]=4 11458 B9R1.48 [13CH3]N1CCOC[C@@H](C1)O 269982a_100016073750_200025704644 [1,0,0,1,0,0|2,0,0]=4 11459 B9R1.67 CC(C)CN1CCC1C 269982a_100000755817_100000210624 [1,0,0,1,0,0|2,0,0]=4 11460 B9R1.67 CC(C)CN1CCC1C 34a_100000755817_100000210624 [1,0,0,1,0,0|2,0,0]=4 11461 B9R1.67 CC(O)CN1CCC1C 269982a_100000755817_100011218427 [1,0,0,1,0,0|1,0,0]=3 11462 B9R1.67 CC(O)CN1CCC1C 34a_100000755817_100011218427 [1,0,0,1,0,0|1,0,0]=3 11463 B9R1.67 CC1CCN1C[C@@H](C)O 269982a_100000755817_100009817552 [1,0,0,1,0,0|1,0,0]=3 11464 B9R1.67 CC1CCN1C[C@@H](C)O 34a_100000755817_100009817552 [1,0,0,1,0,0|1,0,0]=3 11465 B9R1.77 CCOCC1CC1(C)C 34a_100000728257_100000210202 [1,0,0,1,0,0|2,0,0]=4 11466 B9R1.77 CCOCC1CC1(C)C 7a_100000728257_100000210202 [1,0,0,1,0,0|2,0,0]=4 11467 B9R1.84 CC(Br)COC1CCC1 34a_100012180447_100000749161 [1,0,0,1,0,0|2,0,0]=4 11468 B9R1.84 CC(C)CCN1CCC1 269982a_100000754969_100000210312 [1,0,0,1,0,0|2,0,0]=4 11469 B9R1.84 CC(C)CNC1CCC1 2230a_100000749019_100000210760 [1,0,0,1,0,0|2,0,0]=4 11470 B9R1.84 CC(C)CNC1CCC1 270004a_100000210953_100000241760 [1,0,0,1,0,0|2,0,0]=4 11471 B9R1.84 CC(C)CNC1CCC1 34a_100000210953_100000749161 [1,0,0,1,0,0|2,0,0]=4 11472 B9R1.84 CC(C)CNC1CCC1 34a_100000749019_100000210624 [1,0,0,1,0,0|2,0,0]=4 11473 B9R1.84 CC(C)COC1CCC1 34a_100000210257_100000749161 [1,0,0,1,0,0|2,0,0]=4 11474 B9R1.84 CC(C)COC1CCC1 34a_100000748187_100000210624 [1,0,0,1,0,0|2,0,0]=4 11475 B9R1.84 CC(C)CSC1CCC1 62a_100000210624_100000749161 [1,0,0,1,0,0|2,0,0]=4 11476 B9R1.84 CC(C)NCC1CCC1 2230a_100000738700_100000210206 [1,0,0,1,0,0|2,0,0]=4 11477 B9R1.84 CC(C)NCC1CCC1 2230a_100138425928_100000763275 [1,0,0,1,0,0|2,0,0]=4 11478 B9R1.84 CC(C)NCC1CCC1 34a_100000738700_100000210206 [1,0,0,1,0,0|2,0,0]=4 11479 B9R1.84 CC(C)NCC1CCC1 34a_100138425928_100000763275 [1,0,0,1,0,0|2,0,0]=4 11480 B9R1.84 CC(C)OCC1CCC1 34a_100000212225_100000763275 [1,0,0,1,0,0|2,0,0]=4 11481 B9R1.84 CC(C)OCC1CCC1 34a_100000760304_100000210206 [1,0,0,1,0,0|2,0,0]=4 11482 B9R1.84 CC(C)SCC1CCC1 62a_100000210206_100000763275 [1,0,0,1,0,0|2,0,0]=4 11483 B9R1.84 CC(C)SCC1CCC1 62a_100000763275_100000210206 [1,0,0,1,0,0|2,0,0]=4 11484 B9R1.84 CC(F)COC1CCC1 34a_100015925927_100000749161 [1,0,0,1,0,0|2,0,0]=4 11485 B9R1.84 CC(O)CCN1CCC1 269982a_100000754969_100012276601 [1,0,0,1,0,0|1,0,0]=3 11486 B9R1.84 CC(O)CNC1CCC1 2230a_100000749019_100011218427 [1,0,0,1,0,0|1,0,0]=3 11487 B9R1.84 CC(O)CNC1CCC1 270004a_100000210904_100000241760 [1,0,0,1,0,0|1,0,0]=3 11488 B9R1.84 CC(O)CNC1CCC1 34a_100000210904_100000749161 [1,0,0,1,0,0|1,0,0]=3 11489 B9R1.84 CC(O)CNC1CCC1 34a_100000749019_100011218427 [1,0,0,1,0,0|1,0,0]=3 11490 B9R1.84 CC(O)CNC1COC1 2230a_100016991112_100011218427 [1,0,0,1,0,0|2,0,0]=4 11491 B9R1.84 CC(O)CNC1COC1 34a_100000210904_100009818527 [1,0,0,1,0,0|2,0,0]=4 11492 B9R1.84 CC(O)COC1CCC1 34a_100000748187_100011218427 [1,0,0,1,0,0|1,0,0]=3 11493 B9R1.84 CC(O)COC1CSC1 7a_100000072292_100011218427 [1,0,0,1,0,0|2,0,0]=4 11494 B9R1.84 CC(O)CSC1CCC1 62a_100011218427_100000749161 [1,0,0,1,0,0|1,0,0]=3 11495 B9R1.84 CC(O)CSC1COC1 62a_100011218427_100009818527 [1,0,0,1,0,0|2,0,0]=4 11496 B9R1.84 C[C@@H](Cl)COC1CCC1 34a_100016084084_100000749161 [1,0,0,1,0,0|2,0,0]=4 11497 B9R1.84 C[C@@H](N)COC1CCC1 34a_100000737577_100000749161 [1,0,0,1,0,0|2,0,0]=4 11498 B9R1.84 C[C@@H](O)CNC1CCC1 2230a_100000749019_100009817552 [1,0,0,1,0,0|1,0,0]=3 11499 B9R1.84 C[C@@H](O)CNC1CCC1 34a_100000749019_100009817552 [1,0,0,1,0,0|1,0,0]=3 11500 B9R1.84 C[C@@H](O)CNC1COC1 2230a_100016991112_100009817552 [1,0,0,1,0,0|2,0,0]=4 11501 B9R1.84 C[C@@H](O)COC1CCC1 34a_100000748187_100009817552 [1,0,0,1,0,0|1,0,0]=3 11502 B9R1.84 C[C@@H](O)COC1CSC1 7a_100000072292_100009817552 [1,0,0,1,0,0|2,0,0]=4 11503 B9R1.84 C[C@@H](O)CSC1CCC1 62a_100009817552_100000749161 [1,0,0,1,0,0|1,0,0]=3 11504 B9R1.84 C[C@@H](O)CSC1COC1 62a_100009817552_100009818527 [1,0,0,1,0,0|2,0,0]=4 11505 B9R1.85 CC(Br)CCOC1CC1 34a_100009893172_100000211595 [1,0,0,1,0,0|2,0,0]=4 11506 B9R1.85 CC(Br)COCC1CC1 34a_100012180447_100000742324 [1,0,0,1,0,0|2,0,0]=4 11507 B9R1.85 CC(C)CCNC1CC1 34a_100000212008_100000210312 [1,0,0,1,0,0|2,0,0]=4 11508 B9R1.85 CC(C)CCOC1CC1 34a_100000210254_100000211595 [1,0,0,1,0,0|2,0,0]=4 11509 B9R1.85 CC(C)CCSC1CC1 62a_100000210312_100000211595 [1,0,0,1,0,0|2,0,0]=4 11510 B9R1.85 CC(C)CNCC1CC1 2230a_100000210953_100000742324 [1,0,0,1,0,0|2,0,0]=4 11511 B9R1.85 CC(C)CNCC1CC1 2230a_100000735609_100000210760 [1,0,0,1,0,0|2,0,0]=4 11512 B9R1.85 CC(C)CNCC1CC1 269862a_100000210953_100000741477 [1,0,0,1,0,0|2,0,0]=4 11513 B9R1.85 CC(C)CNCC1CC1 270004a_100000735609_100000210432 [1,0,0,1,0,0|2,0,0]=4 11514 B9R1.85 CC(C)CNCC1CC1 34a_100000210953_100000742324 [1,0,0,1,0,0|2,0,0]=4 11515 B9R1.85 CC(C)CNCC1CC1 34a_100000735609_100000210624 [1,0,0,1,0,0|2,0,0]=4 11516 B9R1.85 CC(C)COCC1CC1 34a_100000210257_100000742324 [1,0,0,1,0,0|2,0,0]=4 11517 B9R1.85 CC(C)COCC1CC1 34a_100000211283_100000210624 [1,0,0,1,0,0|2,0,0]=4 11518 B9R1.85 CC(C)CSCC1CC1 62a_100000210624_100000742324 [1,0,0,1,0,0|2,0,0]=4 11519 B9R1.85 CC(C)CSCC1CC1 62a_100000756562_100000210760 [1,0,0,1,0,0|2,0,0]=4 11520 B9R1.85 CC(C)NCCC1CC1 2230a_100138425928_100000694398 [1,0,0,1,0,0|2,0,0]=4 11521 B9R1.85 CC(C)NCCC1CC1 34a_100000764129_100000210206 [1,0,0,1,0,0|2,0,0]=4 11522 B9R1.85 CC(C)NCCC1CC1 34a_100138425928_100000694398 [1,0,0,1,0,0|2,0,0]=4 11523 B9R1.85 CC(C)OCCC1CC1 34a_100000212225_100000694398 [1,0,0,1,0,0|2,0,0]=4 11524 B9R1.85 CC(C)OCCC1CC1 34a_100000754188_100000210206 [1,0,0,1,0,0|2,0,0]=4 11525 B9R1.85 CC(C)OCCC1CC1 7a_100000754188_100000210206 [1,0,0,1,0,0|2,0,0]=4 11526 B9R1.85 CC(C)SCCC1CC1 62a_100000210206_100000764125 [1,0,0,1,0,0|2,0,0]=4 11527 B9R1.85 CC(C)SCCC1CC1 62a_100000764125_100000210206 [1,0,0,1,0,0|2,0,0]=4 11528 B9R1.85 CC(F)COCC1CC1 34a_100015925927_100000742324 [1,0,0,1,0,0|2,0,0]=4 11529 B9R1.85 CC(O)CCNC1CC1 34a_100000212008_100012276601 [1,0,0,1,0,0|1,0,0]=3 11530 B9R1.85 CC(O)CCSC1CC1 62a_100012276601_100000211595 [1,0,0,1,0,0|1,0,0]=3 11531 B9R1.85 CC(O)CNCC1CC1 2230a_100000210904_100000742324 [1,0,0,1,0,0|1,0,0]=3 11532 B9R1.85 CC(O)CNCC1CC1 2230a_100000735609_100011218427 [1,0,0,1,0,0|1,0,0]=3 11533 B9R1.85 CC(O)CNCC1CC1 269862a_100000210904_100000741477 [1,0,0,1,0,0|1,0,0]=3 11534 B9R1.85 CC(O)CNCC1CC1 34a_100000210904_100000742324 [1,0,0,1,0,0|1,0,0]=3 11535 B9R1.85 CC(O)CNCC1CC1 34a_100000735609_100011218427 [1,0,0,1,0,0|1,0,0]=3 11536 B9R1.85 CC(O)CNCC1CO1 2230a_100000210904_100011216344 [1,0,0,1,0,0|2,0,0]=4 11537 B9R1.85 CC(O)CNCC1CO1 34a_100000210904_102125554688 [1,0,0,1,0,0|2,0,0]=4 11538 B9R1.85 CC(O)COCC1CC1 34a_100000211283_100011218427 [1,0,0,1,0,0|1,0,0]=3 11539 B9R1.85 CC(O)COC[C@@H]1CO1 34a_100000757423_100011218427 [1,0,0,1,0,0|2,0,0]=4 11540 B9R1.85 CC(O)CSCC1CC1 62a_100000756562_100011218427 [1,0,0,1,0,0|1,0,0]=3 11541 B9R1.85 CC(O)CSCC1CC1 62a_100011218427_100000742324 [1,0,0,1,0,0|1,0,0]=3 11542 B9R1.85 CC(O)CSCC1CO1 62a_100011218427_102125554688 [1,0,0,1,0,0|2,0,0]=4 11543 B9R1.85 CC(O)CSCC1CO1 62a_102125554688_100011218427 [1,0,0,1,0,0|2,0,0]=4 11544 B9R1.85 CC(O)CSCC1CS1 62a_100000031435_100011218427 [1,0,0,1,0,0|2,0,0]=4 11545 B9R1.85 CC(O)CSCC1CS1 62a_100011218427_100000031435 [1,0,0,1,0,0|2,0,0]=4 11546 B9R1.85 CC(O)CSC[C@@H]1CO1 62a_100000745022_100011218427 [1,0,0,1,0,0|2,0,0]=4 11547 B9R1.85 CC(O)CSC[C@@H]1CO1 62a_100011218427_100000745022 [1,0,0,1,0,0|2,0,0]=4 11548 B9R1.85 C[C@@H](Cl)COCC1CC1 34a_100016084084_100000742324 [1,0,0,1,0,0|2,0,0]=4 11549 B9R1.85 C[C@@H](N)CCOC1CC1 34a_100000706166_100000211595 [1,0,0,1,0,0|2,0,0]=4 11550 B9R1.85 C[C@@H](N)COCC1CC1 34a_100000737577_100000742324 [1,0,0,1,0,0|2,0,0]=4 11551 B9R1.85 C[C@@H](O)CNCC1CC1 2230a_100000735609_100009817552 [1,0,0,1,0,0|1,0,0]=3 11552 B9R1.85 C[C@@H](O)CNCC1CC1 34a_100000735609_100009817552 [1,0,0,1,0,0|1,0,0]=3 11553 B9R1.85 C[C@@H](O)COCC1CC1 34a_100000211283_100009817552 [1,0,0,1,0,0|1,0,0]=3 11554 B9R1.85 C[C@@H](O)COC[C@@H]1CO1 34a_100000757423_100009817552 [1,0,0,1,0,0|2,0,0]=4 11555 B9R1.85 C[C@@H](O)CSCC1CC1 62a_100000756562_100009817552 [1,0,0,1,0,0|1,0,0]=3 11556 B9R1.85 C[C@@H](O)CSCC1CC1 62a_100009817552_100000742324 [1,0,0,1,0,0|1,0,0]=3 11557 B9R1.85 C[C@@H](O)CSCC1CO1 62a_100009817552_102125554688 [1,0,0,1,0,0|2,0,0]=4 11558 B9R1.85 C[C@@H](O)CSCC1CO1 62a_102125554688_100009817552 [1,0,0,1,0,0|2,0,0]=4 11559 B9R1.85 C[C@@H](O)CSCC1CS1 62a_100000031435_100009817552 [1,0,0,1,0,0|2,0,0]=4 11560 B9R1.85 C[C@@H](O)CSCC1CS1 62a_100009817552_100000031435 [1,0,0,1,0,0|2,0,0]=4 11561 B9R1.85 C[C@@H](O)CSC[C@@H]1CO1 62a_100000745022_100009817552 [1,0,0,1,0,0|2,0,0]=4 11562 B9R1.85 C[C@@H](O)CSC[C@@H]1CO1 62a_100009817552_100000745022 [1,0,0,1,0,0|2,0,0]=4 11563 B11R1.4 CCCCCNC1CCOC1 2230a_100000209983_100000731011 [0,1,0,1,0,0|2,0,0]=4 11564 B11R1.4 CCCCCNC1CCOC1 270004a_100000209983_100000752484 [0,1,0,1,0,0|2,0,0]=4 11565 B11R1.4 CCCCCN[C@@H]1CCOC1 2230a_200015188469_100000210326 [0,1,0,1,0,0|2,0,0]=4 11566 B11R1.4 CCCCCN[C@H]1CCOC1 2230a_100015188467_100000210326 [0,1,0,1,0,0|2,0,0]=4 11567 B11R1.4 CCCCCN[C@H]1CCOC1 34a_100015188467_100000718602 [0,1,0,1,0,0|2,0,0]=4 11568 B11R1.4 CCCCCOC1CCCO1 34a_100000085407_100000718602 [0,1,0,1,0,0|2,0,0]=4 11569 B11R1.4 CCCCCOC1CCOC1 34a_100000210253_100000690089 [0,1,0,1,0,0|2,0,0]=4 11570 B11R1.4 CCCCCOC1CCOC1 7a_100000210253_100000731011 [0,1,0,1,0,0|2,0,0]=4 11571 B11R1.4 CCCCCO[C@H]1CCOC1 34a_100000717292_100000718602 [0,1,0,1,0,0|2,0,0]=4 11572 B11R1.4 CCCCCSC1CCOC1 62a_100000210326_100000690089 [0,1,0,1,0,0|2,0,0]=4 11573 B11R1.4 CCCCNCC1CCCO1 2230a_100000102301_100000203698 [0,1,0,1,0,0|2,0,0]=4 11574 B11R1.4 CCCCNCC1CCCO1 7a_106832991798_100000203698 [0,1,0,1,0,0|2,0,0]=4 11575 B11R1.4 CCCCNCC1CCOC1 2230a_100000102301_100000702531 [0,1,0,1,0,0|2,0,0]=4 11576 B11R1.4 CCCCNCC1CCOC1 2230a_100000737293_100000210211 [0,1,0,1,0,0|2,0,0]=4 11577 B11R1.4 CCCCNCC1CCOC1 34a_100000737293_100000210210 [0,1,0,1,0,0|2,0,0]=4 11578 B11R1.4 CCCCNCC1CCOC1 7a_106832991798_100000702531 [0,1,0,1,0,0|2,0,0]=4 11579 B11R1.4 CCCCNCC1OCCO1 2230a_100000036311_100000210211 [0,1,0,1,0,0|2,0,0]=4 11580 B11R1.4 CCCCNCC1OCCO1 2230a_100000102301_100000755774 [0,1,0,1,0,0|2,0,0]=4 11581 B11R1.4 CCCCNCC1OCCO1 34a_100000036311_100000210210 [0,1,0,1,0,0|2,0,0]=4 11582 B11R1.4 CCCCNCC1OCCO1 7a_106832991798_100000755774 [0,1,0,1,0,0|2,0,0]=4 11583 B11R1.4 CCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210211 [0,1,0,1,0,0|2,0,0]=4 11584 B11R1.4 CCCCNC[C@@H]1CCCO1 34a_100020590478_100000210210 [0,1,0,1,0,0|2,0,0]=4 11585 B11R1.4 CCCCOCC1CCCO1 34a_100000210270_100000210210 [0,1,0,1,0,0|2,0,0]=4 11586 B11R1.4 CCCCOCC1CCCO1 7a_100000210227_100000203698 [0,1,0,1,0,0|2,0,0]=4 11587 B11R1.4 CCCCOCC1CCCO1 7a_100000210270_100000210211 [0,1,0,1,0,0|2,0,0]=4 11588 B11R1.4 CCCCOCC1CCOC1 34a_100000210227_100011261433 [0,1,0,1,0,0|2,0,0]=4 11589 B11R1.4 CCCCOCC1CCOC1 34a_100000740260_100000210210 [0,1,0,1,0,0|2,0,0]=4 11590 B11R1.4 CCCCOCC1CCOC1 7a_100000210227_100000702531 [0,1,0,1,0,0|2,0,0]=4 11591 B11R1.4 CCCCOCC1COCO1 34a_100011216627_100000210210 [0,1,0,1,0,0|1,0,0]=3 11592 B11R1.4 CCCCOCC1OCCO1 34a_100000087154_100000210210 [0,1,0,1,0,0|2,0,0]=4 11593 B11R1.4 CCCCOCC1OCCO1 34a_100000210227_100000755774 [0,1,0,1,0,0|2,0,0]=4 11594 B11R1.4 CCCCOCC1OCCO1 7a_100000210227_100000755774 [0,1,0,1,0,0|2,0,0]=4 11595 B11R1.4 CCCCSCC1CCCO1 62a_100000203698_100000210210 [0,1,0,1,0,0|2,0,0]=4 11596 B11R1.4 CCCCSCC1CCCO1 62a_100000210211_100000203698 [0,1,0,1,0,0|2,0,0]=4 11597 B11R1.4 CCCCSCC1CCOC1 62a_100000210211_100000702531 [0,1,0,1,0,0|2,0,0]=4 11598 B11R1.4 CCCCSCC1CCOC1 62a_100000702531_100000210210 [0,1,0,1,0,0|2,0,0]=4 11599 B11R1.4 CCCCSCC1OCCO1 62a_100000210211_100000755774 [0,1,0,1,0,0|2,0,0]=4 11600 B11R1.4 CCCCSCC1OCCO1 62a_100000755774_100000210210 [0,1,0,1,0,0|2,0,0]=4 11601 B11R1.4 CCCNCCC1OCCO1 2230a_100000034215_100000210303 [0,1,0,1,0,0|2,0,0]=4 11602 B11R1.4 CCCNCCC1OCCO1 34a_100000034215_100000210303 [0,1,0,1,0,0|2,0,0]=4 11603 B11R1.4 CCCOCCC1CCOC1 34a_100011879284_100000210303 [0,1,0,1,0,0|2,0,0]=4 11604 B11R1.4 CCCOCCC1OCCO1 34a_100000210258_100000740749 [0,1,0,1,0,0|2,0,0]=4 11605 B11R1.4 CCCSCCC1OCCO1 62a_100000210303_100000740749 [0,1,0,1,0,0|2,0,0]=4 11606 B11R1.4 CCNCCCC1OCCO1 2230a_100015525214_100000042513 [0,1,0,1,0,0|2,0,0]=4 11607 B11R1.4 CCOCCCC1OCCO1 34a_100009871617_100000210202 [0,1,0,1,0,0|2,0,0]=4 11608 B11R1.4 CCOCCCC1OCCO1 34a_100121572206_100009861162 [0,1,0,1,0,0|2,0,0]=4 11609 B11R1.4 CCOCCCC1OCCO1 7a_100009871617_100000210202 [0,1,0,1,0,0|2,0,0]=4 11610 B11R1.4 CCSCCCC1OCCO1 62a_100000210202_100000042513 [0,1,0,1,0,0|2,0,0]=4 11611 B11R1.4 CNCCCCC1OCCO1 2230a_106832991635_100000034956 [0,1,0,1,0,0|2,0,0]=4 11612 B11R1.4 CNCCCCC1OCCO1 34a_100102657272_200009813554 [0,1,0,1,0,0|2,0,0]=4 11613 B11R1.4 CNCCCCC1OCCO1 7a_106832991635_100000034956 [0,1,0,1,0,0|2,0,0]=4 11614 B11R1.4 COCCCCC1OCCO1 34a_100138415774_200009813554 [0,1,0,1,0,0|2,0,0]=4 11615 B11R1.4 COCCOCC1COCO1 34a_100011216627_100011201679 [0,1,0,1,0,0|2,0,0]=4 11616 B11R1.4 CSCCCCC1OCCO1 62a_200000210301_100000034956 [0,1,0,1,0,0|2,0,0]=4 11617 B11R1.4 CSCCOCC1COCO1 34a_100011216627_100000212216 [0,1,0,1,0,0|2,0,0]=4 11618 B11R1.4 FCCCOCC1COCO1 34a_100011216627_100011934791 [0,1,0,1,0,0|2,0,0]=4 11619 B11R1.4 OCCCOCC1COCO1 34a_100011216627_100000230001 [0,1,0,1,0,0|2,0,0]=4 11620 B11R1.4 [13CH3]SCCCCC1OCCO1 62a_200025704644_100000034956 [0,1,0,1,0,0|2,0,0]=4 11621 B11R1.16 CC(OCF)C1CCCCC1 34a_100011216961_100015361967 [0,1,0,1,0,0|2,0,0]=4 11622 B11R1.16 CC(OCF)C1CCCCC1 7a_100011216961_100015361967 [0,1,0,1,0,0|2,0,0]=4 11623 B11R1.16 CCNC(C)C1CCCCC1 269862a_100015525214_100000210989 [0,1,0,1,0,0|2,0,0]=4 11624 B11R1.16 CCN[C@H](C)C1CCCCC1 2230a_100025707633_100000210202 [0,1,0,1,0,0|2,0,0]=4 11625 B11R1.16 CCN[C@H](C)C1CCCCC1 34a_100025707633_100000210202 [0,1,0,1,0,0|2,0,0]=4 11626 B11R1.16 CCOC(C)C1CCCCC1 34a_100011216961_100000210202 [0,1,0,1,0,0|2,0,0]=4 11627 B11R1.16 CCOC(C)C1CCCCC1 7a_100011216961_100000210202 [0,1,0,1,0,0|2,0,0]=4 11628 B11R1.16 CN(CCO)C1CCCCC1 2230a_100000200466_200000210301 [0,1,0,1,0,0|2,0,0]=4 11629 B11R1.16 CN(CCO)C1CCCCC1 2230a_100000207522_100000211926 [0,1,0,1,0,0|2,0,0]=4 11630 B11R1.16 CN(CCO)C1CCCCC1 269982a_100000200466_200000210301 [0,1,0,1,0,0|2,0,0]=4 11631 B11R1.16 CN(CCO)C1CCCCC1 269982a_100000207522_100000211926 [0,1,0,1,0,0|2,0,0]=4 11632 B11R1.16 CN(CCO)C1CCCCC1 269982a_100000210263_100000210327 [0,1,0,1,0,0|2,0,0]=4 11633 B11R1.16 CN(CCO)C1CCCCC1 270004a_100000210263_100000210434 [0,1,0,1,0,0|2,0,0]=4 11634 B11R1.16 CN(CCO)C1CCCCC1 34a_100000200466_200000210301 [0,1,0,1,0,0|2,0,0]=4 11635 B11R1.16 CN(CCO)C1CCCCC1 34a_100000207522_100000211926 [0,1,0,1,0,0|2,0,0]=4 11636 B11R1.16 COCC(=O)C1CCCCC1 1458a_100000210968_100000210327 [0,1,0,1,0,0|0,0,2]=4 11637 B11R1.16 COCC(=O)C1CCCCC1 34a_100138415774_100000241979 [0,1,0,1,0,0|0,0,2]=4 11638 B11R1.16 COCN(C)C1CCCCC1 2230a_100000207522_100000766300 [0,1,0,1,0,0|2,0,0]=4 11639 B11R1.16 COCN(C)C1CCCCC1 269982a_100000207522_100000766300 [0,1,0,1,0,0|2,0,0]=4 11640 B11R1.16 COC[C@H](N)C1CCCCC1 34a_100009817630_200000210301 [0,1,0,1,0,0|1,0,0]=3 11641 B11R1.16 C[C@@H](NCF)C1CCCCC1 34a_100025707633_100015361967 [0,1,0,1,0,0|2,0,0]=4 11642 B11R1.16 O=C(CCO)C1CCCCC1 1458a_100000210647_100000211926 [0,1,0,1,0,0|0,0,2]=4 11643 B11R1.16 O=C(CCO)C1CCCCC1 1458a_100011216618_100000210327 [0,1,0,1,0,0|0,0,2]=4 11644 B11R1.16 [13CH3]N(CCO)C1CCCCC1 2230a_100000200466_200025704644 [0,1,0,1,0,0|2,0,0]=4 11645 B11R1.16 [13CH3]N(CCO)C1CCCCC1 269982a_100000200466_200025704644 [0,1,0,1,0,0|2,0,0]=4 11646 B11R1.16 [13CH3]N(CCO)C1CCCCC1 34a_100000200466_200025704644 [0,1,0,1,0,0|2,0,0]=4 11647 B11R1.16 [13CH3]OC[C@H](N)C1CCCCC1 34a_100009817630_200025704644 [0,1,0,1,0,0|1,0,0]=3 11648 B11R1.24 CCCCN1CCCC(C1)O 2230a_100000211013_100000210211 [0,1,0,1,0,0|2,0,0]=4 11649 B11R1.24 CCCCN1CCCC(C1)O 269982a_100000211013_100000210211 [0,1,0,1,0,0|2,0,0]=4 11650 B11R1.24 CCCCN1CCOC(C1)O 2230a_100000688207_100000210211 [0,1,0,1,0,0|2,0,0]=4 11651 B11R1.24 CCCCN1CCOC(C1)O 269982a_100000688207_100000210211 [0,1,0,1,0,0|2,0,0]=4 11652 B11R1.24 CCCNC1CCCC(C1)O 2230a_100015190357_100000210303 [0,1,0,1,0,0|2,0,0]=4 11653 B11R1.24 CCCNC1CCCC(C1)O 270004a_100020643023_100012613340 [0,1,0,1,0,0|2,0,0]=4 11654 B11R1.24 CCNCC1CCCC(C1)O 2230a_100011254705_100000210202 [0,1,0,1,0,0|2,0,0]=4 11655 B11R1.30 CC(CCO)NC1CCCC1 2230a_100000211070_100009893172 [0,1,0,1,0,0|2,0,0]=4 11656 B11R1.30 CC(CCO)NC1CCCC1 34a_100000211070_100009893172 [0,1,0,1,0,0|2,0,0]=4 11657 B11R1.30 CC(CCO)OC1CCCC1 34a_100000210269_100009893172 [0,1,0,1,0,0|2,0,0]=4 11658 B11R1.30 CC(CCO)OC1CCCC1 7a_100000210269_100009893172 [0,1,0,1,0,0|2,0,0]=4 11659 B11R1.30 CC(CCO)SC1CCCC1 62a_100009893172_100000179811 [0,1,0,1,0,0|2,0,0]=4 11660 B11R1.30 CC(CCO)SC1CCCC1 62a_100011217020_100009893172 [0,1,0,1,0,0|2,0,0]=4 11661 B11R1.30 CC(CO[13CH3])CN1CCCC1 7a_200011934648_200025704644 [0,1,0,1,0,0|2,0,0]=4 11662 B11R1.30 CCNC(C)CC1CCCC1 270004a_100015525214_100000692464 [0,1,0,1,0,0|2,0,0]=4 11663 B11R1.30 CN(CCO)CC1CCCC1 2230a_100000210263_100000740388 [0,1,0,1,0,0|2,0,0]=4 11664 B11R1.30 CN(CCO)CC1CCCC1 269982a_100000210263_100000740388 [0,1,0,1,0,0|2,0,0]=4 11665 B11R1.30 COCC(=O)CC1CCCC1 1458a_100000210968_100000740388 [0,1,0,1,0,0|0,0,2]=4 11666 B11R1.30 COCC(C)CN1CCCC1 7a_200011934648_200000210301 [0,1,0,1,0,0|2,0,0]=4 11667 B11R1.30 COCC(C)NC1CCCC1 2230a_100000211070_100000765312 [0,1,0,1,0,0|2,0,0]=4 11668 B11R1.30 COCC(C)NC1CCCC1 270004a_100000211070_100000749346 [0,1,0,1,0,0|2,0,0]=4 11669 B11R1.30 COCC(C)NC1CCCC1 34a_100000211070_100000765312 [0,1,0,1,0,0|2,0,0]=4 11670 B11R1.30 COCC(C)OC1CCCC1 34a_100000210269_100000765312 [0,1,0,1,0,0|2,0,0]=4 11671 B11R1.30 COCC(C)OC1CCCC1 7a_100000210269_100000765312 [0,1,0,1,0,0|2,0,0]=4 11672 B11R1.30 COCC(C)SC1CCCC1 62a_100000765312_100000179811 [0,1,0,1,0,0|2,0,0]=4 11673 B11R1.30 COCC(C)SC1CCCC1 62a_100011217020_100000765312 [0,1,0,1,0,0|2,0,0]=4 11674 B11R1.30 COC[C@@H](C)NC1CCCC1 2230a_100000764878_100000179811 [0,1,0,1,0,0|2,0,0]=4 11675 B11R1.30 COC[C@@H](C)NC1CCCC1 270004a_100000764878_100000210133 [0,1,0,1,0,0|2,0,0]=4 11676 B11R1.30 COC[C@@H](C)OC1CCCC1 34a_100011934205_100000179811 [0,1,0,1,0,0|2,0,0]=4 11677 B11R1.30 C[C@H](CCO)NC1CCCC1 2230a_100000706166_100000179811 [0,1,0,1,0,0|2,0,0]=4 11678 B11R1.30 C[C@H](CCO)NC1CCCC1 270004a_100000706166_100000210133 [0,1,0,1,0,0|2,0,0]=4 11679 B11R1.30 C[C@H](CCO)NC1CCCC1 34a_100000706166_100000179811 [0,1,0,1,0,0|2,0,0]=4 11680 B11R1.30 N#CC[C@H](O)CN1CCCC1 2230a_100000188435_100000001066 [0,1,0,1,0,0|2,0,0]=4 11681 B11R1.30 O=C(CCO)CC1CCCC1 1458a_100000210891_100000211926 [0,1,0,1,0,0|0,0,2]=4 11682 B11R1.30 O=C(CCO)CC1CCCC1 1458a_100011216618_100000740388 [0,1,0,1,0,0|0,0,2]=4 11683 B11R1.78 CCCCCCN1CC(C1)O 269982a_100000749847_100000210757 [0,1,0,1,0,0|2,0,0]=4 11684 B11R1.78 CCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210326 [0,1,0,1,0,0|2,0,0]=4 11685 B11R1.78 CCCCNCC1CC(C1)O 2230a_100016992100_100000210211 [0,1,0,1,0,0|2,0,0]=4 11686 B11R1.117 CCNC1CCCCCCC1 2230a_100000211152_100000210202 [0,1,0,1,0,0|2,0,0]=4 11687 B11R1.117 CCNC1CCCCCCC1 270004a_100015525214_100000210524 [0,1,0,1,0,0|2,0,0]=4 11688 B11R1.117 CCNC1CCCCCCC1 34a_100000211152_100000210202 [0,1,0,1,0,0|2,0,0]=4 11689 B11R1.117 CCOC1CCCCCCC1 34a_100000210054_100000210202 [0,1,0,1,0,0|2,0,0]=4 11690 B11R1.117 CCOC1CCCCCCC1 7a_100000210054_100000210202 [0,1,0,1,0,0|2,0,0]=4 11691 B11R1.117 COCC1CCCCCCC1 34a_100011216312_200000210301 [0,1,0,1,0,0|1,0,0]=3 11692 B11R1.117 COCC1CCCCCCC1 7a_100011216312_200000210301 [0,1,0,1,0,0|1,0,0]=3 11693 B11R1.117 COCN1CCCCCCC1 2230a_100000211400_100000766300 [0,1,0,1,0,0|2,0,0]=4 11694 B11R1.117 COCN1CCCCCCC1 269982a_100000211400_100000766300 [0,1,0,1,0,0|2,0,0]=4 11695 B11R1.117 FCNC1CCCCCCC1 34a_100000211152_100015361967 [0,1,0,1,0,0|2,0,0]=4 11696 B11R1.117 FCOC1CCCCCCC1 34a_100000210054_100015361967 [0,1,0,1,0,0|2,0,0]=4 11697 B11R1.117 FCOC1CCCCCCC1 7a_100000210054_100015361967 [0,1,0,1,0,0|2,0,0]=4 11698 B11R1.117 OCCN1CCCCCCC1 2230a_100000211400_100000211926 [0,1,0,1,0,0|2,0,0]=4 11699 B11R1.117 OCCN1CCCCCCC1 269982a_100000211400_100000211926 [0,1,0,1,0,0|2,0,0]=4 11700 B11R1.117 OCCN1CCCCCCC1 34a_100000211400_100000211926 [0,1,0,1,0,0|2,0,0]=4 11701 B11R1.117 [13CH3]OCC1CCCCCCC1 34a_100011216312_200025704644 [0,1,0,1,0,0|1,0,0]=3 11702 B11R1.117 [13CH3]OCC1CCCCCCC1 7a_100011216312_200025704644 [0,1,0,1,0,0|1,0,0]=3 11703 B11R1.127 CCCC1CCC(C1)NCC 270004a_100015525214_200012087856 [0,1,0,1,0,0|2,0,0]=4 11704 B11R1.127 CCCN1CCC(C1)CCO 2230a_100016987287_100000210303 [0,1,0,1,0,0|2,0,0]=4 11705 B11R1.127 CCCN1CCC(C1)CCO 269982a_100016987287_100000210303 [0,1,0,1,0,0|2,0,0]=4 11706 B11R1.127 CCCN1CCC(C1)CCO 34a_100016987287_100000210303 [0,1,0,1,0,0|2,0,0]=4 11707 B11R1.127 CCCN1CCC(C1)COC 2230a_100025706693_100000210303 [0,1,0,1,0,0|2,0,0]=4 11708 B11R1.127 CCCN1CCC(C1)COC 269982a_100025706693_100000210303 [0,1,0,1,0,0|2,0,0]=4 11709 B11R1.127 CCCN1CCC(C1)COC 34a_100025706693_100000210303 [0,1,0,1,0,0|2,0,0]=4 11710 B11R1.135 CCCN1CCCC(CC1)C 2230a_100025706717_100000210303 [0,1,0,1,0,0|2,0,0]=4 11711 B11R1.135 CCCN1CCCC(CC1)C 269982a_100025706717_100000210303 [0,1,0,1,0,0|2,0,0]=4 11712 B11R1.135 CCCN1CCCC(CC1)C 34a_100025706717_100000210303 [0,1,0,1,0,0|2,0,0]=4 11713 B11R1.135 CCCN1CCCC(CC1)O 2230a_100015186869_100000210303 [0,1,0,1,0,0|1,0,0]=3 11714 B11R1.135 CCCN1CCCC(CC1)O 269982a_100015186869_100000210303 [0,1,0,1,0,0|1,0,0]=3 11715 B11R1.135 COCN1CCCC(CC1)O 2230a_100015186869_100000766300 [0,1,0,1,0,0|2,0,0]=4 11716 B11R1.135 COCN1CCCC(CC1)O 269982a_100015186869_100000766300 [0,1,0,1,0,0|2,0,0]=4 11717 B11R1.135 CSCN1CCCC(CC1)O 2230a_100015186869_100011218213 [0,1,0,1,0,0|2,0,0]=4 11718 B11R1.135 CSCN1CCCC(CC1)O 269982a_100015186869_100011218213 [0,1,0,1,0,0|2,0,0]=4 11719 B11R1.135 OC1CCCN(CC1)CCF 2230a_100015186869_100011217306 [0,1,0,1,0,0|2,0,0]=4 11720 B11R1.135 OC1CCCN(CC1)CCF 269982a_100015186869_100011217306 [0,1,0,1,0,0|2,0,0]=4 11721 B11R1.135 OCCN1CCCC(CC1)O 2230a_100015186869_100000211926 [0,1,0,1,0,0|2,0,0]=4 11722 B11R1.135 OCCN1CCCC(CC1)O 269982a_100015186869_100000211926 [0,1,0,1,0,0|2,0,0]=4 11723 B11R1.180 CCCCNC1COCC1O 7a_106832991798_200000725654 [0,1,0,1,0,0|1,0,0]=3 11724 B11R1.180 CCCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000210211 [0,1,0,1,0,0|1,0,0]=3 11725 B11R1.180 CCCCOC1COCC1O 34a_100000210227_200000725654 [0,1,0,1,0,0|1,0,0]=3 11726 B11R1.180 CCCCOC1COCC1O 7a_100000210227_200000725654 [0,1,0,1,0,0|1,0,0]=3 11727 B11R1.180 CCCCO[C@H]1COC[C@@H]1N 34a_100015191717_100000210210 [0,1,0,1,0,0|2,0,0]=4 11728 B11R1.180 CCCCSC1COCC1O 62a_100000210211_200000725654 [0,1,0,1,0,0|1,0,0]=3 11729 B11R1.180 CCCCSC1COCC1O 62a_200000725654_100000210210 [0,1,0,1,0,0|1,0,0]=3 11730 B11R1.180 CCCCS[C@@H]1CCC[C@H]1O 62a_100000210211_200016002552 [0,1,0,1,0,0|2,0,0]=4 11731 B11R1.180 CCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210210 [0,1,0,1,0,0|2,0,0]=4 11732 B11R1.180 CCOCSC1COCC1O 62a_100000739092_200000725654 [0,1,0,1,0,0|2,0,0]=4 11733 B11R1.180 CCOCSC1COCC1O 62a_200000725654_100000739092 [0,1,0,1,0,0|2,0,0]=4 11734 B11R1.180 COCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100011201679 [0,1,0,1,0,0|2,0,0]=4 11735 B11R1.180 COCCOC1COCC1O 34a_100000210237_200000725654 [0,1,0,1,0,0|2,0,0]=4 11736 B11R1.180 COCCSC1COCC1O 62a_100000233755_200000725654 [0,1,0,1,0,0|2,0,0]=4 11737 B11R1.180 COCCSC1COCC1O 62a_200000725654_100000233755 [0,1,0,1,0,0|2,0,0]=4 11738 B11R1.180 CSCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000751147 [0,1,0,1,0,0|2,0,0]=4 11739 B11R1.180 CSCCOC1COCC1O 34a_100000230434_200000725654 [0,1,0,1,0,0|2,0,0]=4 11740 B11R1.180 CSCCOC1COCC1O 7a_100000230434_200000725654 [0,1,0,1,0,0|2,0,0]=4 11741 B11R1.180 CSCCSC1COCC1O 62a_100000212216_200000725654 [0,1,0,1,0,0|2,0,0]=4 11742 B11R1.180 CSCCSC1COCC1O 62a_200000725654_100000751147 [0,1,0,1,0,0|2,0,0]=4 11743 B11R1.180 NCCCOC1COCC1O 34a_100000182051_200000725654 [0,1,0,1,0,0|2,0,0]=4 11744 B11R1.180 OC1COCC1NCCCF 34a_100015189416_200000725654 [0,1,0,1,0,0|2,0,0]=4 11745 B11R1.180 OC1COCC1OCCCBr 34a_100011217188_200000725654 [0,1,0,1,0,0|2,0,0]=4 11746 B11R1.180 OC1COCC1OCCCCl 34a_100000230001_200000725654 [0,1,0,1,0,0|2,0,0]=4 11747 B11R1.180 OC1COCC1OCCCF 34a_100000759539_200000725654 [0,1,0,1,0,0|2,0,0]=4 11748 B11R1.180 OC1COCC1SCCCF 62a_100011934791_200000725654 [0,1,0,1,0,0|2,0,0]=4 11749 B11R1.180 OC1COCC1SCCCF 62a_200000725654_100011934791 [0,1,0,1,0,0|2,0,0]=4 11750 B11R1.180 OCCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000230001 [0,1,0,1,0,0|2,0,0]=4 11751 B11R1.180 OCCCSC1COCC1O 62a_100011215043_200000725654 [0,1,0,1,0,0|2,0,0]=4 11752 B11R1.180 OCCCSC1COCC1O 62a_200000725654_100011215043 [0,1,0,1,0,0|2,0,0]=4 11753 B11R1.180 O[C@H]1COC[C@@H]1NCCCF 2230a_100015191717_100011934791 [0,1,0,1,0,0|2,0,0]=4 11754 B11R1.189 CCC1CCCC(C1)OCF 7a_100011985506_100015361967 [0,1,0,1,0,0|2,0,0]=4 11755 B11R1.189 CCCN1CCCC(C1)CF 2230a_100016992999_100000210303 [0,1,0,1,0,0|2,0,0]=4 11756 B11R1.189 CCCN1CCCC(C1)CF 269982a_100016992999_100000210303 [0,1,0,1,0,0|2,0,0]=4 11757 B11R1.189 CCCN1CCCC(C1)CF 34a_100016992999_100000210303 [0,1,0,1,0,0|2,0,0]=4 11758 B11R1.189 CCCN1CCCC(C1)CO 2230a_100000211344_100000210303 [0,1,0,1,0,0|1,0,0]=3 11759 B11R1.189 CCCN1CCCC(C1)CO 269982a_100000211344_100000210303 [0,1,0,1,0,0|1,0,0]=3 11760 B11R1.189 CCCN1CCCC(C1)CO 34a_100000211344_100000210303 [0,1,0,1,0,0|1,0,0]=3 11761 B11R1.189 CCCN1CCO[C@@H](C1)CO 2230a_100015189573_100000210303 [0,1,0,1,0,0|2,0,0]=4 11762 B11R1.189 CCCN1CCO[C@@H](C1)CO 269982a_100015189573_100000210303 [0,1,0,1,0,0|2,0,0]=4 11763 B11R1.189 CCCN1CCO[C@@H](C1)CO 34a_100015189573_100000210303 [0,1,0,1,0,0|2,0,0]=4 11764 B11R1.189 CCN1CCCC(C1)CCO 2230a_100000752241_100000210202 [0,1,0,1,0,0|2,0,0]=4 11765 B11R1.189 CCN1CCCC(C1)CCO 269982a_100000752241_100000204670 [0,1,0,1,0,0|2,0,0]=4 11766 B11R1.189 CCN1CCCC(C1)CCO 34a_100000752241_100000210202 [0,1,0,1,0,0|2,0,0]=4 11767 B11R1.189 CCN1CCCC(C1)COC 2230a_100000755410_100000210202 [0,1,0,1,0,0|2,0,0]=4 11768 B11R1.189 CCN1CCCC(C1)COC 269982a_100000755410_100000204670 [0,1,0,1,0,0|2,0,0]=4 11769 B11R1.189 CCN1CCCC(C1)COC 34a_100000755410_100000210202 [0,1,0,1,0,0|2,0,0]=4 11770 B11R1.189 CCN1CCCC(C1)COC 7a_200000227639_200000210301 [0,1,0,1,0,0|2,0,0]=4 11771 B11R1.189 CCN1CCCC(C1)CO[13CH3] 7a_200000227639_200025704644 [0,1,0,1,0,0|2,0,0]=4 11772 B11R1.189 CCNC1CCCC(C1)CC 270004a_100015525214_100000756783 [0,1,0,1,0,0|2,0,0]=4 11773 B11R1.189 CCOC1CCCC(C1)CC 7a_100011985506_100000210202 [0,1,0,1,0,0|2,0,0]=4 11774 B11R1.189 CCOC1CCCC(C1)CN 34a_100011254705_100000210202 [0,1,0,1,0,0|2,0,0]=4 11775 B11R1.189 COCN1CCCC(C1)CO 2230a_100000211344_100000766300 [0,1,0,1,0,0|2,0,0]=4 11776 B11R1.189 COCN1CCCC(C1)CO 269982a_100000211344_100000766300 [0,1,0,1,0,0|2,0,0]=4 11777 B11R1.189 CSCN1CCCC(C1)CO 2230a_100000211344_100011218213 [0,1,0,1,0,0|2,0,0]=4 11778 B11R1.189 CSCN1CCCC(C1)CO 269982a_100000211344_100011218213 [0,1,0,1,0,0|2,0,0]=4 11779 B11R1.189 CSCN1CCCC(C1)CO 34a_100000211344_100011218213 [0,1,0,1,0,0|2,0,0]=4 11780 B11R1.189 OCC1CCCN(C1)CCF 2230a_100000211344_100011217306 [0,1,0,1,0,0|2,0,0]=4 11781 B11R1.189 OCC1CCCN(C1)CCF 269982a_100000211344_100011217306 [0,1,0,1,0,0|2,0,0]=4 11782 B11R1.189 OCC1CCCN(C1)CCF 34a_100000211344_100011217306 [0,1,0,1,0,0|2,0,0]=4 11783 B11R1.189 OCCN1CCCC(C1)CO 2230a_100000211344_100000211926 [0,1,0,1,0,0|2,0,0]=4 11784 B11R1.189 OCCN1CCCC(C1)CO 269982a_100000211344_100000211926 [0,1,0,1,0,0|2,0,0]=4 11785 B11R1.189 OCCN1CCCC(C1)CO 34a_100000211344_100000211926 [0,1,0,1,0,0|2,0,0]=4 11786 B11R1.199 CC(CCO)N1CCC[C@@H]1C 2230a_100020605311_100009893172 [0,1,0,1,0,0|2,0,0]=4 11787 B11R1.199 CC(CCO)N1CCC[C@@H]1C 269982a_100020605311_100009893172 [0,1,0,1,0,0|2,0,0]=4 11788 B11R1.199 CC(CCO)N1CCC[C@H]1C 2230a_100015189458_100009893172 [0,1,0,1,0,0|2,0,0]=4 11789 B11R1.199 CC(CCO)N1CCC[C@H]1C 269982a_100015189458_100009893172 [0,1,0,1,0,0|2,0,0]=4 11790 B11R1.199 CC(CCO)N1CCC[C@H]1C 34a_100015189458_100009893172 [0,1,0,1,0,0|2,0,0]=4 11791 B11R1.199 CC1CCCC1C(=O)CCO 1458a_100000690547_100000211926 [0,1,0,1,0,0|0,0,2]=4 11792 B11R1.199 COCC(C)N1CCC[C@@H]1C 2230a_100020605311_100000765312 [0,1,0,1,0,0|2,0,0]=4 11793 B11R1.199 COCC(C)N1CCC[C@@H]1C 269982a_100020605311_100000765312 [0,1,0,1,0,0|2,0,0]=4 11794 B11R1.199 COCC(C)N1CCC[C@@H]1C 270004a_100020605311_100000749346 [0,1,0,1,0,0|2,0,0]=4 11795 B11R1.199 COCC(C)N1CCC[C@H]1C 2230a_100015189458_100000765312 [0,1,0,1,0,0|2,0,0]=4 11796 B11R1.199 COCC(C)N1CCC[C@H]1C 269982a_100015189458_100000765312 [0,1,0,1,0,0|2,0,0]=4 11797 B11R1.199 COCC(C)N1CCC[C@H]1C 270004a_100015189458_100000749346 [0,1,0,1,0,0|2,0,0]=4 11798 B11R1.199 COCC(C)N1CCC[C@H]1C 34a_100015189458_100000765312 [0,1,0,1,0,0|2,0,0]=4 11799 B11R1.210 CCCCN1CC(C1)COC 2230a_100016993750_100000210211 [0,1,0,1,0,0|2,0,0]=4 11800 B11R1.210 CCCCN1CC(C1)COC 269982a_100016993750_100000210211 [0,1,0,1,0,0|2,0,0]=4 11801 B11R1.210 CCCCN1CC(C1)COC 34a_100016993750_100000210210 [0,1,0,1,0,0|2,0,0]=4 11802 B11R1.210 CCCNC1CC(C1)COC 2230a_100012180050_100000210303 [0,1,0,1,0,0|2,0,0]=4 11803 B11R1.210 CCCNC1CC(C1)COC 270004a_100020643023_100010371266 [0,1,0,1,0,0|2,0,0]=4 11804 B11R1.288 CC(CCO)OCC1CC1C 34a_100000744939_100009893172 [0,1,0,1,0,0|2,0,0]=4 11805 B11R1.288 CC(CCO)OCC1CC1C 7a_100000744939_100009893172 [0,1,0,1,0,0|2,0,0]=4 11806 B11R1.288 COCC(C)OCC1CC1C 34a_100000744939_100000765312 [0,1,0,1,0,0|2,0,0]=4 11807 B11R1.288 COCC(C)OCC1CC1C 7a_100000744939_100000765312 [0,1,0,1,0,0|2,0,0]=4 11808 B11R1.288 COCC(O)CN[C@@H]1C[C@H]1F 34a_100025746932_100011215053 [0,1,0,1,0,0|2,0,0]=4 11809 B11R1.289 CC(CCO)NCC1CCC1 2230a_100000738700_100009893172 [0,1,0,1,0,0|2,0,0]=4 11810 B11R1.289 CC(CCO)NCC1CCC1 34a_100000738700_100009893172 [0,1,0,1,0,0|2,0,0]=4 11811 B11R1.289 CC(CCO)OCC1CCC1 34a_100000760304_100009893172 [0,1,0,1,0,0|2,0,0]=4 11812 B11R1.289 CC(CCO)SCC1CCC1 62a_100000763275_100009893172 [0,1,0,1,0,0|2,0,0]=4 11813 B11R1.289 CC(CCO)SCC1CCC1 62a_100009893172_100000763275 [0,1,0,1,0,0|2,0,0]=4 11814 B11R1.289 CCCC(C)CNC1COC1 2230a_100016991112_100011216630 [0,1,0,1,0,0|2,0,0]=4 11815 B11R1.289 CCCC(C)CNC1COC1 270004a_100016991112_100000243154 [0,1,0,1,0,0|2,0,0]=4 11816 B11R1.289 CCCC(C)COC1COC1 34a_100000688023_100009818527 [0,1,0,1,0,0|2,0,0]=4 11817 B11R1.289 CCCC(C)COC1COC1 7a_100000688023_100009818527 [0,1,0,1,0,0|2,0,0]=4 11818 B11R1.289 CCCC(C)CSC1COC1 62a_100011216630_100009818527 [0,1,0,1,0,0|2,0,0]=4 11819 B11R1.289 CCCC(C)NCC1CCO1 2230a_100000741246_100000103362 [0,1,0,1,0,0|2,0,0]=4 11820 B11R1.289 CCCC(C)NCC1COC1 2230a_100000741246_100010264016 [0,1,0,1,0,0|2,0,0]=4 11821 B11R1.289 CCCC(C)NCC1COC1 2230a_100015281925_100000766640 [0,1,0,1,0,0|2,0,0]=4 11822 B11R1.289 CCCC(C)NCC1COC1 270004a_100015281925_100000211909 [0,1,0,1,0,0|2,0,0]=4 11823 B11R1.289 CCCC(C)NCC1COC1 34a_100015281925_100000766640 [0,1,0,1,0,0|2,0,0]=4 11824 B11R1.289 CCCC(C)NC[C@@H]1CCO1 2230a_100020831831_100000766640 [0,1,0,1,0,0|2,0,0]=4 11825 B11R1.289 CCCC(C)NC[C@@H]1CCO1 270004a_100020831831_100000211909 [0,1,0,1,0,0|2,0,0]=4 11826 B11R1.289 CCCC(C)NC[C@@H]1CCO1 34a_100020831831_100000766640 [0,1,0,1,0,0|2,0,0]=4 11827 B11R1.289 CCCC(C)OCC1CCO1 34a_100000039022_100000766640 [0,1,0,1,0,0|2,0,0]=4 11828 B11R1.289 CCCC(C)OCC1CCO1 34a_100000764384_100000103362 [0,1,0,1,0,0|2,0,0]=4 11829 B11R1.289 CCCC(C)OCC1CCO1 7a_100000764384_100000103362 [0,1,0,1,0,0|2,0,0]=4 11830 B11R1.289 CCCC(C)OCC1COC1 34a_100000060846_100000766640 [0,1,0,1,0,0|2,0,0]=4 11831 B11R1.289 CCCC(C)OCC1COC1 34a_100000764384_100010264016 [0,1,0,1,0,0|2,0,0]=4 11832 B11R1.289 CCCC(C)OCC1COC1 7a_100000764384_100010264016 [0,1,0,1,0,0|2,0,0]=4 11833 B11R1.289 CCCC(C)SCC1CCO1 62a_100000103362_100000766640 [0,1,0,1,0,0|2,0,0]=4 11834 B11R1.289 CCCC(C)SCC1CCO1 62a_100000766640_100000103362 [0,1,0,1,0,0|2,0,0]=4 11835 B11R1.289 CCCC(C)SCC1COC1 62a_100000766640_100010264016 [0,1,0,1,0,0|2,0,0]=4 11836 B11R1.289 CCCC(C)SCC1COC1 62a_100010264016_100000766640 [0,1,0,1,0,0|2,0,0]=4 11837 B11R1.289 CCC[C@H](N)COC1COC1 34a_100000732646_100009818527 [0,1,0,1,0,0|2,0,0]=4 11838 B11R1.289 COCC(C)NCC1CCC1 2230a_100000738700_100000765312 [0,1,0,1,0,0|2,0,0]=4 11839 B11R1.289 COCC(C)NCC1CCC1 270004a_100000738700_100000749346 [0,1,0,1,0,0|2,0,0]=4 11840 B11R1.289 COCC(C)NCC1CCC1 34a_100000738700_100000765312 [0,1,0,1,0,0|2,0,0]=4 11841 B11R1.289 COCC(C)OCC1CCC1 34a_100000760304_100000765312 [0,1,0,1,0,0|2,0,0]=4 11842 B11R1.289 COCC(C)SCC1CCC1 62a_100000763275_100000765312 [0,1,0,1,0,0|2,0,0]=4 11843 B11R1.289 COCC(C)SCC1CCC1 62a_100000765312_100000763275 [0,1,0,1,0,0|2,0,0]=4 11844 B11R1.289 COCC(N)COC1CCC1 34a_100000724102_100000749161 [0,1,0,1,0,0|2,0,0]=4 11845 B11R1.289 COCC(O)CNC1CCC1 270004a_100000756049_100000241760 [0,1,0,1,0,0|1,0,0]=3 11846 B11R1.289 COCC(O)CNC1CCC1 34a_100000749019_100011215053 [0,1,0,1,0,0|1,0,0]=3 11847 B11R1.289 COCC(O)CNC1CCC1 34a_100000756049_100000749161 [0,1,0,1,0,0|1,0,0]=3 11848 B11R1.289 COCC(O)CNC1COC1 34a_100000756049_100009818527 [0,1,0,1,0,0|2,0,0]=4 11849 B11R1.289 COCC(O)COC1CCC1 34a_100000748187_100011215053 [0,1,0,1,0,0|1,0,0]=3 11850 B11R1.289 COCC(O)COC1CSC1 7a_100000072292_100011215053 [0,1,0,1,0,0|2,0,0]=4 11851 B11R1.289 COCC(O)CSC1CCC1 62a_100011215053_100000749161 [0,1,0,1,0,0|1,0,0]=3 11852 B11R1.289 COCC(O)CSC1COC1 62a_100011215053_100009818527 [0,1,0,1,0,0|2,0,0]=4 11853 B11R1.289 COC[C@@H](C)NCC1CCC1 2230a_100000764878_100000763275 [0,1,0,1,0,0|2,0,0]=4 11854 B11R1.289 COC[C@@H](C)NCC1CCC1 269862a_100000764878_100000753134 [0,1,0,1,0,0|2,0,0]=4 11855 B11R1.289 COC[C@@H](C)OCC1CCC1 34a_100011934205_100000763275 [0,1,0,1,0,0|2,0,0]=4 11856 B11R1.289 C[C@H](CCO)NCC1CCC1 2230a_100000706166_100000763275 [0,1,0,1,0,0|2,0,0]=4 11857 B11R1.289 C[C@H](CCO)NCC1CCC1 269862a_100000706166_100000753134 [0,1,0,1,0,0|2,0,0]=4 11858 B11R1.289 C[C@H](CCO)NCC1CCC1 34a_100000706166_100000763275 [0,1,0,1,0,0|2,0,0]=4 11859 B11R1.289 N#CC[C@H](O)CNC1CCC1 2230a_100000749019_100000001066 [0,1,0,1,0,0|2,0,0]=4 11860 B11R1.289 N#CC[C@H](O)CSC1CCC1 62a_100000001066_100000749161 [0,1,0,1,0,0|2,0,0]=4 11861 B11R1.290 CC(CCO)NCCC1CC1 34a_100000764129_100009893172 [0,1,0,1,0,0|2,0,0]=4 11862 B11R1.290 CC(CCO)OCCC1CC1 34a_100000754188_100009893172 [0,1,0,1,0,0|2,0,0]=4 11863 B11R1.290 CC(CCO)OCCC1CC1 7a_100000754188_100009893172 [0,1,0,1,0,0|2,0,0]=4 11864 B11R1.290 CC(CCO)SCCC1CC1 62a_100000764125_100009893172 [0,1,0,1,0,0|2,0,0]=4 11865 B11R1.290 CC(CCO)SCCC1CC1 62a_100009893172_100000764125 [0,1,0,1,0,0|2,0,0]=4 11866 B11R1.290 COCC(C)NCCC1CC1 270004a_100000764129_100000749346 [0,1,0,1,0,0|2,0,0]=4 11867 B11R1.290 COCC(C)NCCC1CC1 34a_100000764129_100000765312 [0,1,0,1,0,0|2,0,0]=4 11868 B11R1.290 COCC(C)OCCC1CC1 34a_100000754188_100000765312 [0,1,0,1,0,0|2,0,0]=4 11869 B11R1.290 COCC(C)OCCC1CC1 7a_100000754188_100000765312 [0,1,0,1,0,0|2,0,0]=4 11870 B11R1.290 COCC(C)SCCC1CC1 62a_100000764125_100000765312 [0,1,0,1,0,0|2,0,0]=4 11871 B11R1.290 COCC(C)SCCC1CC1 62a_100000765312_100000764125 [0,1,0,1,0,0|2,0,0]=4 11872 B11R1.290 COCC(N)COCC1CC1 34a_100000724102_100000742324 [0,1,0,1,0,0|2,0,0]=4 11873 B11R1.290 COCC(O)CNCC1CC1 2230a_100000756049_100000742324 [0,1,0,1,0,0|1,0,0]=3 11874 B11R1.290 COCC(O)CNCC1CC1 269862a_100000756049_100000741477 [0,1,0,1,0,0|1,0,0]=3 11875 B11R1.290 COCC(O)CNCC1CC1 34a_100000735609_100011215053 [0,1,0,1,0,0|1,0,0]=3 11876 B11R1.290 COCC(O)CNCC1CC1 34a_100000756049_100000742324 [0,1,0,1,0,0|1,0,0]=3 11877 B11R1.290 COCC(O)CNCC1CO1 2230a_100000756049_100011216344 [0,1,0,1,0,0|2,0,0]=4 11878 B11R1.290 COCC(O)CNCC1CO1 34a_100000756049_102125554688 [0,1,0,1,0,0|2,0,0]=4 11879 B11R1.290 COCC(O)COCC1CC1 34a_100000211283_100011215053 [0,1,0,1,0,0|1,0,0]=3 11880 B11R1.290 COCC(O)COC[C@@H]1CO1 34a_100000757423_100011215053 [0,1,0,1,0,0|2,0,0]=4 11881 B11R1.290 COCC(O)CSCC1CC1 62a_100000756562_100011215053 [0,1,0,1,0,0|1,0,0]=3 11882 B11R1.290 COCC(O)CSCC1CC1 62a_100011215053_100000742324 [0,1,0,1,0,0|1,0,0]=3 11883 B11R1.290 COCC(O)CSCC1CO1 62a_100011215053_102125554688 [0,1,0,1,0,0|2,0,0]=4 11884 B11R1.290 COCC(O)CSCC1CO1 62a_102125554688_100011215053 [0,1,0,1,0,0|2,0,0]=4 11885 B11R1.290 COCC(O)CSCC1CS1 62a_100000031435_100011215053 [0,1,0,1,0,0|2,0,0]=4 11886 B11R1.290 COCC(O)CSCC1CS1 62a_100011215053_100000031435 [0,1,0,1,0,0|2,0,0]=4 11887 B11R1.290 COCC(O)CSC[C@@H]1CO1 62a_100000745022_100011215053 [0,1,0,1,0,0|2,0,0]=4 11888 B11R1.290 COCC(O)CSC[C@@H]1CO1 62a_100011215053_100000745022 [0,1,0,1,0,0|2,0,0]=4 11889 B11R1.290 COC[C@@H](C)NCCC1CC1 2230a_100000764878_100000694398 [0,1,0,1,0,0|2,0,0]=4 11890 B11R1.290 COC[C@@H](C)OCCC1CC1 34a_100011934205_100000694398 [0,1,0,1,0,0|2,0,0]=4 11891 B11R1.290 C[C@H](CCO)NCCC1CC1 2230a_100000706166_100000694398 [0,1,0,1,0,0|2,0,0]=4 11892 B11R1.290 C[C@H](CCO)NCCC1CC1 34a_100000706166_100000694398 [0,1,0,1,0,0|2,0,0]=4 11893 B11R1.290 N#CC[C@H](O)CNCC1CC1 2230a_100000735609_100000001066 [0,1,0,1,0,0|2,0,0]=4 11894 B11R1.290 N#CC[C@H](O)CSCC1CC1 62a_100000001066_100000742324 [0,1,0,1,0,0|2,0,0]=4 11895 B11R1.290 N#CC[C@H](O)CSCC1CC1 62a_100000756562_100000001066 [0,1,0,1,0,0|2,0,0]=4 11896 B11R1.291 COCC(O)CN1CCC1C 34a_100000755817_100011215053 [0,1,0,1,0,0|1,0,0]=3 11897 B11R1.356 CCCCCCC(=O)C1CO1 1458a_100000701028_100000210757 [0,1,0,1,0,0|0,0,2]=4 11898 B11R1.356 CCCCCNC(C)C1CO1 270004a_100000209983_100000031964 [0,1,0,1,0,0|2,0,0]=4 11899 B11R1.356 CCCCNCC(O)C1CC1 2230a_100000751198_100000210211 [0,1,0,1,0,0|2,0,0]=4 11900 B11R1.356 CCCCNCC(O)C1CC1 34a_100000751198_100000210210 [0,1,0,1,0,0|2,0,0]=4 11901 B11R1.779 CC1(CCCCCC1)NCF 34a_100000704638_100015361967 [0,1,0,1,0,0|2,0,0]=4 11902 B11R1.779 CC1(CCCCCC1)OCF 34a_100000708895_100015361967 [0,1,0,1,0,0|2,0,0]=4 11903 B11R1.779 CC1(CCCCCC1)OCF 7a_100000708895_100015361967 [0,1,0,1,0,0|2,0,0]=4 11904 B11R1.779 CCNC1(CCCCCC1)C 2230a_100000704638_100000210202 [0,1,0,1,0,0|2,0,0]=4 11905 B11R1.779 CCNC1(CCCCCC1)C 34a_100000704638_100000210202 [0,1,0,1,0,0|2,0,0]=4 11906 B11R1.779 CCOC1(CCCCCC1)C 34a_100000708895_100000210202 [0,1,0,1,0,0|2,0,0]=4 11907 B11R1.779 CCOC1(CCCCCC1)C 7a_100000708895_100000210202 [0,1,0,1,0,0|2,0,0]=4 11908 B11R1.899 CCCCCNC1(COC1)C 2230a_100000732644_100000210326 [0,1,0,1,0,0|2,0,0]=4 11909 B11R1.899 CCCCNCC1(CCC1)O 2230a_100000752638_100000210211 [0,1,0,1,0,0|2,0,0]=4 11910 B11R1.899 CCCCNCC1(COC1)C 2230a_100000102301_100000066812 [0,1,0,1,0,0|2,0,0]=4 11911 B11R1.899 CCCCNCC1(COC1)C 2230a_100020631278_100000210211 [0,1,0,1,0,0|2,0,0]=4 11912 B11R1.899 CCCCNCC1(COC1)C 269862a_100000102301_100000050806 [0,1,0,1,0,0|2,0,0]=4 11913 B11R1.899 CCCCNCC1(COC1)C 7a_106832991798_100009817586 [0,1,0,1,0,0|2,0,0]=4 11914 B11R1.899 CCCCNCC1(COC1)O 2230a_100010264505_100000210211 [0,1,0,1,0,0|1,0,0]=3 11915 B11R1.899 CCCCOCC1(COC1)C 34a_100000210227_100009817586 [0,1,0,1,0,0|2,0,0]=4 11916 B11R1.899 CCCCOCC1(COC1)C 7a_100000210227_100009817586 [0,1,0,1,0,0|2,0,0]=4 11917 B11R1.899 CCCCSCC1(COC1)C 62a_100000210211_100009817586 [0,1,0,1,0,0|2,0,0]=4 11918 B11R1.899 CCCCSCC1(COC1)C 62a_100009817586_100000210210 [0,1,0,1,0,0|2,0,0]=4 11919 B11R1.899 COCCNCC1(COC1)O 2230a_100010264505_100011201679 [0,1,0,1,0,0|2,0,0]=4 11920 B11R1.899 CSCCNCC1(COC1)O 2230a_100010264505_100000751147 [0,1,0,1,0,0|2,0,0]=4 11921 B11R1.899 OC1(COC1)CNCCCF 2230a_100010264505_100011934791 [0,1,0,1,0,0|2,0,0]=4 11922 B11R1.899 OCCCNCC1(COC1)O 2230a_100010264505_100000230001 [0,1,0,1,0,0|2,0,0]=4 11923 B11R1.9 CCN1CC(CC(C1)CO)C 2230a_200012821172_100000210202 [0,1,0,1,0,0|2,0,0]=4 11924 B11R1.9 CCN1CC(CC(C1)CO)C 269982a_200012821172_100000204670 [0,1,0,1,0,0|2,0,0]=4 11925 B11R1.9 CCN1CC(CC(C1)CO)C 34a_200012821172_100000210202 [0,1,0,1,0,0|2,0,0]=4 11926 B11R1.39 CC(CO)N[C@H]1CC[C@H](C1)O 2230a_100015195300_100012180447 [0,1,0,1,0,0|2,0,0]=4 11927 B11R1.39 CC1CCC(C1)N[C@H](C)CO 270004a_100000737577_100011215218 [0,1,0,1,0,0|2,0,0]=4 11928 B11R1.39 CC1CCC(C1)OC(C)CO 34a_100000698185_100012180447 [0,1,0,1,0,0|2,0,0]=4 11929 B11R1.39 CCC(C)CN1CCC(C1)O 2230a_100011215560_100000748023 [0,1,0,1,0,0|2,0,0]=4 11930 B11R1.39 CCC(C)CN1CCC(C1)O 269982a_100011215560_100000748023 [0,1,0,1,0,0|2,0,0]=4 11931 B11R1.39 CCC(C)CN1CCC(C1)O 270004a_100011215560_100000243153 [0,1,0,1,0,0|2,0,0]=4 11932 B11R1.39 CCC(C)NC1CCC(C1)O 270004a_100000209981_100012614533 [0,1,0,1,0,0|2,0,0]=4 11933 B11R1.39 CCC(C)N[C@H]1CC[C@H](C1)O 2230a_100015195300_100000758301 [0,1,0,1,0,0|2,0,0]=4 11934 B11R1.39 CCC(O)CN1CCC(C1)O 2230a_100011215560_100011218378 [0,1,0,1,0,0|2,0,0]=4 11935 B11R1.39 CCC(O)CN1CCC(C1)O 269982a_100011215560_100011218378 [0,1,0,1,0,0|2,0,0]=4 11936 B11R1.39 CCC(O)CN1CC[C@@H](C1)F 2230a_100015203821_100011218378 [0,1,0,1,0,0|2,0,0]=4 11937 B11R1.39 CCC(O)CN1CC[C@@H](C1)F 269982a_100015203821_100011218378 [0,1,0,1,0,0|2,0,0]=4 11938 B11R1.39 CCC(O)CN1CC[C@@H](C1)F 34a_100015203821_100011218378 [0,1,0,1,0,0|2,0,0]=4 11939 B11R1.39 CCC(O)CN1CC[C@H](C1)C 2230a_100016987628_100011218378 [0,1,0,1,0,0|2,0,0]=4 11940 B11R1.39 CCC(O)CN1CC[C@H](C1)C 269982a_100016987628_100011218378 [0,1,0,1,0,0|2,0,0]=4 11941 B11R1.39 CCC(O)CN1CC[C@H](C1)C 34a_100016987628_100011218378 [0,1,0,1,0,0|2,0,0]=4 11942 B11R1.39 CC[C@H](C)CN1CCC(C1)O 2230a_100011215560_100009816398 [0,1,0,1,0,0|2,0,0]=4 11943 B11R1.39 CC[C@H](C)CN1CCC(C1)O 269982a_100011215560_100009816398 [0,1,0,1,0,0|2,0,0]=4 11944 B11R1.39 C[C@@H](CO)CN1CCC(C1)O 2230a_100011215560_100000059175 [0,1,0,1,0,0|2,0,0]=4 11945 B11R1.39 C[C@@H](CO)CN1CCC(C1)O 269982a_100011215560_100000059175 [0,1,0,1,0,0|2,0,0]=4 11946 B11R1.39 C[C@@H](CO)CN1CC[C@@H](C1)F 2230a_100015203821_100000059175 [0,1,0,1,0,0|2,0,0]=4 11947 B11R1.39 C[C@@H](CO)CN1CC[C@@H](C1)F 269982a_100015203821_100000059175 [0,1,0,1,0,0|2,0,0]=4 11948 B11R1.39 C[C@@H](CO)CN1CC[C@@H](C1)F 34a_100015203821_100000059175 [0,1,0,1,0,0|2,0,0]=4 11949 B11R1.39 C[C@@H]1CCN(C1)CC(O)CO 2230a_100016987628_100011219619 [0,1,0,1,0,0|1,0,0]=3 11950 B11R1.39 C[C@@H]1CCN(C1)CC(O)CO 34a_100016987628_100011219619 [0,1,0,1,0,0|1,0,0]=3 11951 B11R1.39 C[C@@H]1CCN(C1)C[C@@H](C)CO 2230a_100016987628_100000059175 [0,1,0,1,0,0|2,0,0]=4 11952 B11R1.39 C[C@@H]1CCN(C1)C[C@@H](C)CO 269982a_100016987628_100000059175 [0,1,0,1,0,0|2,0,0]=4 11953 B11R1.39 C[C@@H]1CCN(C1)C[C@@H](C)CO 34a_100016987628_100000059175 [0,1,0,1,0,0|2,0,0]=4 11954 B11R1.39 C[C@@H]1CCN(C1)C[C@@H](O)CF 2230a_100016987628_100015614560 [0,1,0,1,0,0|2,0,0]=4 11955 B11R1.39 C[C@@H]1CCN(C1)C[C@@H](O)CF 34a_100016987628_100015614560 [0,1,0,1,0,0|2,0,0]=4 11956 B11R1.39 C[C@@H]1CCN(C1)C[C@@H](O)CO 2230a_100016987628_100009815848 [0,1,0,1,0,0|1,0,0]=3 11957 B11R1.39 C[C@@H]1CCN(C1)C[C@@H](O)CO 34a_100016987628_100009815848 [0,1,0,1,0,0|1,0,0]=3 11958 B11R1.39 C[C@H](CO)NC1CCC(C1)O 270004a_100000737577_100012614533 [0,1,0,1,0,0|2,0,0]=4 11959 B11R1.39 OC1CCN(C1)C[C@@H](O)CF 2230a_100011215560_100015614560 [0,1,0,1,0,0|2,0,0]=4 11960 B11R1.39 OCC(O)CN1CCC(C1)O 2230a_100011215560_100011219619 [0,1,0,1,0,0|1,0,0]=3 11961 B11R1.39 OCC(O)CN1CC[C@@H](C1)F 2230a_100015203821_100011219619 [0,1,0,1,0,0|1,0,0]=3 11962 B11R1.39 OCC(O)CN1CC[C@@H](C1)F 34a_100015203821_100011219619 [0,1,0,1,0,0|1,0,0]=3 11963 B11R1.39 OC[C@H](O)CN1CCC(C1)O 2230a_100011215560_100009815848 [0,1,0,1,0,0|1,0,0]=3 11964 B11R1.39 OC[C@H](O)CN1CC[C@@H](C1)F 2230a_100015203821_100009815848 [0,1,0,1,0,0|1,0,0]=3 11965 B11R1.39 OC[C@H](O)CN1CC[C@@H](C1)F 34a_100015203821_100009815848 [0,1,0,1,0,0|1,0,0]=3 11966 B11R1.39 O[C@@H](CF)CN1CC[C@@H](C1)F 2230a_100015203821_100015614560 [0,1,0,1,0,0|2,0,0]=4 11967 B11R1.39 O[C@@H](CF)CN1CC[C@@H](C1)F 34a_100015203821_100015614560 [0,1,0,1,0,0|2,0,0]=4 11968 B11R1.40 CC(CF)OC1CCCCC1 34a_100016041109_100000210327 [0,1,0,1,0,0|2,0,0]=4 11969 B11R1.40 CC(CF)OC1CCCCC1 7a_100016041109_100000210327 [0,1,0,1,0,0|2,0,0]=4 11970 B11R1.40 CC(CN)OC1CCCCC1 34a_100000210904_100000210327 [0,1,0,1,0,0|2,0,0]=4 11971 B11R1.40 CC(CO)NC1CCCCC1 2230a_100000182618_100012180447 [0,1,0,1,0,0|1,0,0]=3 11972 B11R1.40 CC(CO)NC1CCCCC1 34a_100000182618_100012180447 [0,1,0,1,0,0|1,0,0]=3 11973 B11R1.40 CC(CO)NC1CCCOC1 2230a_100000719290_100012180447 [0,1,0,1,0,0|2,0,0]=4 11974 B11R1.40 CC(CO)NC1CCCOC1 34a_100000719290_100012180447 [0,1,0,1,0,0|2,0,0]=4 11975 B11R1.40 CC(CO)NC1CCOCC1 2230a_100000741149_100012180447 [0,1,0,1,0,0|2,0,0]=4 11976 B11R1.40 CC(CO)NC1CCOCC1 34a_100000741149_100012180447 [0,1,0,1,0,0|2,0,0]=4 11977 B11R1.40 CC(CO)NC1CCSCC1 2230a_100000748639_100012180447 [0,1,0,1,0,0|2,0,0]=4 11978 B11R1.40 CC(CO)NC1CCSCC1 34a_100000748639_100012180447 [0,1,0,1,0,0|2,0,0]=4 11979 B11R1.40 CC(CO)OC1CCCCC1 34a_100000210231_100012180447 [0,1,0,1,0,0|1,0,0]=3 11980 B11R1.40 CC(CO)OC1CCCCC1 7a_100000210231_100012180447 [0,1,0,1,0,0|1,0,0]=3 11981 B11R1.40 CC(CO)OC1CCCCO1 34a_100000033831_100012180447 [0,1,0,1,0,0|2,0,0]=4 11982 B11R1.40 CC(CO)OC1CCCOC1 34a_100000754041_100012180447 [0,1,0,1,0,0|2,0,0]=4 11983 B11R1.40 CC(CO)OC1CCCSC1 7a_100015962668_100012180447 [0,1,0,1,0,0|2,0,0]=4 11984 B11R1.40 CC(CO)OC1CCOCC1 34a_100000744328_100012180447 [0,1,0,1,0,0|2,0,0]=4 11985 B11R1.40 CC(CO)OC1CCSCC1 34a_100000731022_100012180447 [0,1,0,1,0,0|2,0,0]=4 11986 B11R1.40 CC(CO)OC1CCSCC1 7a_100000731022_100012180447 [0,1,0,1,0,0|2,0,0]=4 11987 B11R1.40 CC(CO)SC1CCCCC1 62a_100012180447_100000210327 [0,1,0,1,0,0|1,0,0]=3 11988 B11R1.40 CC(CO)SC1CCCOC1 62a_100012180447_100000693364 [0,1,0,1,0,0|2,0,0]=4 11989 B11R1.40 CC(CO)SC1CCOCC1 62a_100012180447_100011324220 [0,1,0,1,0,0|2,0,0]=4 11990 B11R1.40 CC(CO)SC1CCSCC1 62a_100012180447_100000069128 [0,1,0,1,0,0|2,0,0]=4 11991 B11R1.40 CCC(C)NC1CCCCC1 2230a_100000182618_100000758301 [0,1,0,1,0,0|2,0,0]=4 11992 B11R1.40 CCC(C)NC1CCCCC1 270004a_100000209981_100000210434 [0,1,0,1,0,0|2,0,0]=4 11993 B11R1.40 CCC(C)NC1CCCCC1 34a_100000182618_100011215416 [0,1,0,1,0,0|2,0,0]=4 11994 B11R1.40 CCC(C)OC1CCCCC1 34a_100000210231_100011215416 [0,1,0,1,0,0|2,0,0]=4 11995 B11R1.40 CCC(C)OC1CCCCC1 7a_100000210228_100000210327 [0,1,0,1,0,0|2,0,0]=4 11996 B11R1.40 CCC(C)OC1CCCCC1 7a_100000210231_100000758301 [0,1,0,1,0,0|2,0,0]=4 11997 B11R1.40 CCC(C)SC1CCCCC1 62a_100000210327_100000758301 [0,1,0,1,0,0|2,0,0]=4 11998 B11R1.40 CCC(C)SC1CCCCC1 62a_100000758301_100000210327 [0,1,0,1,0,0|2,0,0]=4 11999 B11R1.40 CCC(O)CN1CCCOC1 2230a_100000131196_100011218378 [0,1,0,1,0,0|2,0,0]=4 12000 B11R1.40 CCC(O)CN1CCCOC1 269982a_100000131196_100011218378 [0,1,0,1,0,0|2,0,0]=4 12001 B11R1.40 CCC(O)CN1CCCOC1 34a_100000131196_100011218378 [0,1,0,1,0,0|2,0,0]=4 12002 B11R1.40 CCC(O)CN1CCOCC1 2230a_100015191051_100011218378 [0,1,0,1,0,0|2,0,0]=4 12003 B11R1.40 CCC(O)CN1CCOCC1 269982a_100015191051_100011218378 [0,1,0,1,0,0|2,0,0]=4 12004 B11R1.40 CCC(O)CN1CCOCC1 34a_100015191051_100011218378 [0,1,0,1,0,0|2,0,0]=4 12005 B11R1.40 CCC(O)CN1CCSCC1 2230a_100000737611_100011218378 [0,1,0,1,0,0|2,0,0]=4 12006 B11R1.40 CCC(O)CN1CCSCC1 269982a_100000737611_100011218378 [0,1,0,1,0,0|2,0,0]=4 12007 B11R1.40 C[C@@H](CO)CN1CCCOC1 2230a_100000131196_100000059175 [0,1,0,1,0,0|2,0,0]=4 12008 B11R1.40 C[C@@H](CO)CN1CCCOC1 269982a_100000131196_100000059175 [0,1,0,1,0,0|2,0,0]=4 12009 B11R1.40 C[C@@H](CO)CN1CCCOC1 34a_100000131196_100000059175 [0,1,0,1,0,0|2,0,0]=4 12010 B11R1.40 C[C@@H](CO)CN1CCOCC1 2230a_100015191051_100000059175 [0,1,0,1,0,0|2,0,0]=4 12011 B11R1.40 C[C@@H](CO)CN1CCOCC1 269982a_100015191051_100000059175 [0,1,0,1,0,0|2,0,0]=4 12012 B11R1.40 C[C@@H](CO)CN1CCOCC1 34a_100015191051_100000059175 [0,1,0,1,0,0|2,0,0]=4 12013 B11R1.40 C[C@@H](CO)CN1CCSCC1 2230a_100000737611_100000059175 [0,1,0,1,0,0|2,0,0]=4 12014 B11R1.40 C[C@@H](CO)CN1CCSCC1 269982a_100000737611_100000059175 [0,1,0,1,0,0|2,0,0]=4 12015 B11R1.40 C[C@H](CF)NC1CCCCC1 270004a_100102880703_100000210434 [0,1,0,1,0,0|2,0,0]=4 12016 B11R1.40 C[C@H](CO)NC1CCCCC1 270004a_100000737577_100000210434 [0,1,0,1,0,0|1,0,0]=3 12017 B11R1.40 C[C@H](CO)NC1CCCOC1 270004a_100000737577_100000753404 [0,1,0,1,0,0|2,0,0]=4 12018 B11R1.40 C[C@H](CO)NC1CCCSC1 270004a_100000737577_100000057913 [0,1,0,1,0,0|2,0,0]=4 12019 B11R1.40 C[C@H](CO)NC1CCNCC1 270004a_100000737577_100015192401 [0,1,0,1,0,0|2,0,0]=4 12020 B11R1.40 C[C@H](CO)NC1CCOCC1 270004a_100000737577_100011217826 [0,1,0,1,0,0|2,0,0]=4 12021 B11R1.40 C[C@H](CO)NC1CCSCC1 270004a_100000737577_100000203788 [0,1,0,1,0,0|2,0,0]=4 12022 B11R1.40 C[C@H](CO)SC1CCCCC1 62a_100000210327_100016084084 [0,1,0,1,0,0|1,0,0]=3 12023 B11R1.40 C[C@H](CO)SC1CCCCC1 62a_100016084084_100000210327 [0,1,0,1,0,0|1,0,0]=3 12024 B11R1.40 C[C@H](CO)SC1CCCOC1 62a_100016084084_100000693364 [0,1,0,1,0,0|2,0,0]=4 12025 B11R1.40 C[C@H](CO)SC1CCOCC1 62a_100016084084_100011324220 [0,1,0,1,0,0|2,0,0]=4 12026 B11R1.40 C[C@H](CO)SC1CCSCC1 62a_100016084084_100000069128 [0,1,0,1,0,0|2,0,0]=4 12027 B11R1.40 O=C(CO)CC1CCCCC1 1458a_100000210174_100000211423 [0,1,0,1,0,0|0,0,2]=4 12028 B11R1.40 O=C(CO)CC1CCCCO1 1458a_100000210174_100000211543 [0,1,0,1,0,0|0,0,2]=4 12029 B11R1.40 O=C(CO)CC1CCCOC1 1458a_100000210174_100000741521 [0,1,0,1,0,0|0,0,2]=4 12030 B11R1.40 O=C(CO)CC1CCOCC1 1458a_100000210174_100000754603 [0,1,0,1,0,0|0,0,2]=4 12031 B11R1.40 O=C(CO)NC1CCCCC1 240690a_100000182618_100000210174 [0,1,0,1,0,0|0,0,2]=4 12032 B11R1.40 O=C(CO)NC1CCCCC1 527a_100000182618_100000210174 [0,1,0,1,0,0|0,0,2]=4 12033 B11R1.40 OCC(O)CN1CC=CCC1 2230a_100000698166_100011219619 [0,1,0,1,0,0|0,0,2]=4 12034 B11R1.40 OCC(O)CN1CC=CCC1 34a_100000698166_100011219619 [0,1,0,1,0,0|0,0,2]=4 12035 B11R1.40 OCC(O)CN1CCCOC1 2230a_100000131196_100011219619 [0,1,0,1,0,0|1,0,0]=3 12036 B11R1.40 OCC(O)CN1CCCOC1 34a_100000131196_100011219619 [0,1,0,1,0,0|1,0,0]=3 12037 B11R1.40 OCC(O)CN1CCOCC1 2230a_100015191051_100011219619 [0,1,0,1,0,0|1,0,0]=3 12038 B11R1.40 OCC(O)CN1CCOCC1 34a_100015191051_100011219619 [0,1,0,1,0,0|1,0,0]=3 12039 B11R1.40 OCC(O)CN1CCSCC1 2230a_100000737611_100011219619 [0,1,0,1,0,0|1,0,0]=3 12040 B11R1.40 OC[C@H](O)CN1CC=CCC1 2230a_100000698166_100009815848 [0,1,0,1,0,0|0,0,2]=4 12041 B11R1.40 OC[C@H](O)CN1CC=CCC1 34a_100000698166_100009815848 [0,1,0,1,0,0|0,0,2]=4 12042 B11R1.40 OC[C@H](O)CN1CCCOC1 2230a_100000131196_100009815848 [0,1,0,1,0,0|1,0,0]=3 12043 B11R1.40 OC[C@H](O)CN1CCCOC1 34a_100000131196_100009815848 [0,1,0,1,0,0|1,0,0]=3 12044 B11R1.40 OC[C@H](O)CN1CCOCC1 2230a_100015191051_100009815848 [0,1,0,1,0,0|1,0,0]=3 12045 B11R1.40 OC[C@H](O)CN1CCOCC1 34a_100015191051_100009815848 [0,1,0,1,0,0|1,0,0]=3 12046 B11R1.40 OC[C@H](O)CN1CCSCC1 2230a_100000737611_100009815848 [0,1,0,1,0,0|1,0,0]=3 12047 B11R1.40 O[C@@H](CF)CN1CCCOC1 2230a_100000131196_100015614560 [0,1,0,1,0,0|2,0,0]=4 12048 B11R1.40 O[C@@H](CF)CN1CCCOC1 34a_100000131196_100015614560 [0,1,0,1,0,0|2,0,0]=4 12049 B11R1.40 O[C@@H](CF)CN1CCOCC1 2230a_100015191051_100015614560 [0,1,0,1,0,0|2,0,0]=4 12050 B11R1.40 O[C@@H](CF)CN1CCOCC1 34a_100015191051_100015614560 [0,1,0,1,0,0|2,0,0]=4 12051 B11R1.40 O[C@@H](CF)CN1CCSCC1 2230a_100000737611_100015614560 [0,1,0,1,0,0|2,0,0]=4 12052 B11R1.196 CC(CO)NC(C)C1CCC1 2230a_100016994624_100012180447 [0,1,0,1,0,0|2,0,0]=4 12053 B11R1.196 CC(CO)NC(C)C1CCC1 34a_100016994624_100012180447 [0,1,0,1,0,0|2,0,0]=4 12054 B11R1.196 CC(CO)OC(C)C1CCC1 34a_100000766398_100012180447 [0,1,0,1,0,0|2,0,0]=4 12055 B11R1.196 CC(CO)OC(C)C1CCC1 7a_100000766398_100012180447 [0,1,0,1,0,0|2,0,0]=4 12056 B11R1.196 CC(N[C@H](C)CO)C1CCC1 269862a_100000737577_100000760154 [0,1,0,1,0,0|2,0,0]=4 12057 B11R1.196 CCC(O)CC(=O)C1CCC1 1458a_100000209988_100011218378 [0,1,0,1,0,0|1,0,1]=4 12058 B11R1.196 CCC(O)CC(=O)C1CCC1 1458a_100011667805_100000749161 [0,1,0,1,0,0|1,0,1]=4 12059 B11R1.196 CCC(O)CN(C)C1CCC1 2230a_100000758072_100011218378 [0,1,0,1,0,0|2,0,0]=4 12060 B11R1.196 CCC(O)CN(C)C1CCC1 269982a_100000758072_100011218378 [0,1,0,1,0,0|2,0,0]=4 12061 B11R1.196 CCC(O)CN(C)C1CCC1 34a_100000758072_100011218378 [0,1,0,1,0,0|2,0,0]=4 12062 B11R1.196 CN(CC(O)CO)C1CCC1 2230a_100000758072_100011219619 [0,1,0,1,0,0|1,0,0]=3 12063 B11R1.196 CN(CC(O)CO)C1CCC1 269982a_100011216503_100000749161 [0,1,0,1,0,0|1,0,0]=3 12064 B11R1.196 CN(CC(O)CO)C1CCC1 270004a_100011216503_100000241760 [0,1,0,1,0,0|1,0,0]=3 12065 B11R1.196 CN(CC(O)CO)C1CCC1 34a_100000758072_100011219619 [0,1,0,1,0,0|1,0,0]=3 12066 B11R1.196 CN(CC(O)CO)C1COC1 2230a_100102693430_100011219619 [0,1,0,1,0,0|2,0,0]=4 12067 B11R1.196 CN(CC(O)CO)C1COC1 269982a_100011216503_100000687716 [0,1,0,1,0,0|2,0,0]=4 12068 B11R1.196 CN(C[C@@H](O)CF)C1CCC1 2230a_100000758072_100015614560 [0,1,0,1,0,0|2,0,0]=4 12069 B11R1.196 CN(C[C@@H](O)CF)C1CCC1 34a_100000758072_100015614560 [0,1,0,1,0,0|2,0,0]=4 12070 B11R1.196 CN(C[C@@H](O)CO)C1CCC1 2230a_100000758072_100009815848 [0,1,0,1,0,0|1,0,0]=3 12071 B11R1.196 CN(C[C@@H](O)CO)C1CCC1 34a_100000758072_100009815848 [0,1,0,1,0,0|1,0,0]=3 12072 B11R1.196 CN(C[C@@H](O)CO)C1COC1 2230a_100102693430_100009815848 [0,1,0,1,0,0|2,0,0]=4 12073 B11R1.196 C[C@@H](CO)CC(=O)C1CCC1 1458a_100000209988_100000059175 [0,1,0,1,0,0|1,0,1]=4 12074 B11R1.196 C[C@@H](CO)CN(C)C1CCC1 2230a_100000758072_100000059175 [0,1,0,1,0,0|2,0,0]=4 12075 B11R1.196 C[C@@H](CO)CN(C)C1CCC1 269982a_100000758072_100000059175 [0,1,0,1,0,0|2,0,0]=4 12076 B11R1.196 C[C@@H](CO)CN(C)C1CCC1 34a_100000758072_100000059175 [0,1,0,1,0,0|2,0,0]=4 12077 B11R1.198 CC(CC1CC1)N[C@H](C)CO 270004a_100000737577_200000686933 [0,1,0,1,0,0|2,0,0]=4 12078 B11R1.198 CCC(O)CC(=O)CC1CC1 1458a_100000738066_100011218378 [0,1,0,1,0,0|1,0,1]=4 12079 B11R1.198 CCC(O)CC(=O)CC1CC1 1458a_100011667805_100000742324 [0,1,0,1,0,0|1,0,1]=4 12080 B11R1.198 CCC(O)CN(C)CC1CC1 2230a_100000741881_100011218378 [0,1,0,1,0,0|2,0,0]=4 12081 B11R1.198 CCC(O)CN(C)CC1CC1 269982a_100000741881_100011218378 [0,1,0,1,0,0|2,0,0]=4 12082 B11R1.198 CN(CC(O)CO)CC1CC1 2230a_100000741881_100011219619 [0,1,0,1,0,0|1,0,0]=3 12083 B11R1.198 CN(CC(O)CO)CC1CC1 2230a_100011216503_100000742324 [0,1,0,1,0,0|1,0,0]=3 12084 B11R1.198 CN(CC(O)CO)CC1CC1 269982a_100011216503_100000756562 [0,1,0,1,0,0|1,0,0]=3 12085 B11R1.198 CN(CC(O)CO)CC1CO1 2230a_100011216503_100011216344 [0,1,0,1,0,0|2,0,0]=4 12086 B11R1.198 CN(CC(O)CO)CC1CO1 269982a_100011216503_102125554688 [0,1,0,1,0,0|2,0,0]=4 12087 B11R1.198 CN(CC(O)CO)CC1CS1 269982a_100011216503_100000031435 [0,1,0,1,0,0|2,0,0]=4 12088 B11R1.198 CN(CC(O)CO)C[C@@H]1CO1 269982a_100011216503_100000745022 [0,1,0,1,0,0|2,0,0]=4 12089 B11R1.198 CN(CC1CC1)C[C@@H](O)CF 2230a_100000741881_100015614560 [0,1,0,1,0,0|2,0,0]=4 12090 B11R1.198 CN(CC1CC1)C[C@@H](O)CO 2230a_100000741881_100009815848 [0,1,0,1,0,0|1,0,0]=3 12091 B11R1.198 C[C@@H](CO)CC(=O)CC1CC1 1458a_100000738066_100000059175 [0,1,0,1,0,0|1,0,1]=4 12092 B11R1.198 C[C@@H](CO)CN(C)CC1CC1 2230a_100000741881_100000059175 [0,1,0,1,0,0|2,0,0]=4 12093 B11R1.198 C[C@@H](CO)CN(C)CC1CC1 269982a_100000741881_100000059175 [0,1,0,1,0,0|2,0,0]=4 12094 B11R1.214 CCCCN1CCC(C1)CO 2230a_100000748654_100000210211 [0,1,0,1,0,0|1,0,0]=3 12095 B11R1.214 CCCCN1CCC(C1)CO 269982a_100000748654_100000210211 [0,1,0,1,0,0|1,0,0]=3 12096 B11R1.214 CCCCN1CCC(C1)CO 34a_100000748654_100000210210 [0,1,0,1,0,0|1,0,0]=3 12097 B11R1.214 CCCCN1CC[C@H](C1)OC 2230a_100000766984_100000210211 [0,1,0,1,0,0|2,0,0]=4 12098 B11R1.214 CCCCN1CC[C@H](C1)OC 269982a_100000766984_100000210211 [0,1,0,1,0,0|2,0,0]=4 12099 B11R1.214 CCCNC1CCC(C1)CC 270004a_100020643023_100011218773 [0,1,0,1,0,0|2,0,0]=4 12100 B11R1.214 CCCN[C@H]1C=C[C@H](C1)CO 2230a_100020646542_100000210303 [0,1,0,1,0,0|2,0,0]=4 12101 B11R1.214 CCCN[C@H]1C=C[C@H](C1)CO 34a_100020646542_100000210303 [0,1,0,1,0,0|2,0,0]=4 12102 B11R1.214 CCNC[C@@H]1CC[C@@H](C1)CO 34a_206354213956_100000210202 [0,1,0,1,0,0|1,0,0]=3 12103 B11R1.214 CCOCN1CCC(C1)CO 269982a_100000748654_100000739092 [0,1,0,1,0,0|2,0,0]=4 12104 B11R1.214 CCOC[C@H]1CC[C@H](C1)CN 34a_206354213956_100000210202 [0,1,0,1,0,0|2,0,0]=4 12105 B11R1.214 COCCN1CCC(C1)CO 2230a_100000748654_100011201679 [0,1,0,1,0,0|2,0,0]=4 12106 B11R1.214 COCCN1CCC(C1)CO 269982a_100000748654_100000233755 [0,1,0,1,0,0|2,0,0]=4 12107 B11R1.214 COCCN1CCC(C1)CO 34a_100000748654_100011201679 [0,1,0,1,0,0|2,0,0]=4 12108 B11R1.214 CSCCN1CCC(C1)CO 2230a_100000748654_100000751147 [0,1,0,1,0,0|2,0,0]=4 12109 B11R1.214 CSCCN1CCC(C1)CO 269982a_100000748654_100000212216 [0,1,0,1,0,0|2,0,0]=4 12110 B11R1.214 CSCCN1CCC(C1)CO 34a_100000748654_100000212216 [0,1,0,1,0,0|2,0,0]=4 12111 B11R1.214 OCC1CCN(C1)CCCF 2230a_100000748654_100011934791 [0,1,0,1,0,0|2,0,0]=4 12112 B11R1.214 OCC1CCN(C1)CCCF 269982a_100000748654_100011934791 [0,1,0,1,0,0|2,0,0]=4 12113 B11R1.214 OCC1CCN(C1)CCCF 34a_100000748654_100011934791 [0,1,0,1,0,0|2,0,0]=4 12114 B11R1.214 OCCCN1CCC(C1)CO 2230a_100000748654_100000230001 [0,1,0,1,0,0|2,0,0]=4 12115 B11R1.214 OCCCN1CCC(C1)CO 269982a_100000748654_100011215043 [0,1,0,1,0,0|2,0,0]=4 12116 B11R1.214 OCCCN1CCC(C1)CO 34a_100000748654_100000230001 [0,1,0,1,0,0|2,0,0]=4 12117 B11R1.214 OC[C@H]1CC[C@H](C1)CNCF 34a_206354213956_100015361967 [0,1,0,1,0,0|2,0,0]=4 12118 B11R1.222 CC(CO)N1CCCCC1C 2230a_100000211376_100012180447 [0,1,0,1,0,0|1,0,0]=3 12119 B11R1.222 CC(CO)N1CCCCC1C 34a_100000211376_100012180447 [0,1,0,1,0,0|1,0,0]=3 12120 B11R1.222 CC(CO)N1CCOC[C@@H]1C 2230a_100009815349_100012180447 [0,1,0,1,0,0|2,0,0]=4 12121 B11R1.222 CC(CO)N1CCOC[C@@H]1C 34a_100009815349_100012180447 [0,1,0,1,0,0|2,0,0]=4 12122 B11R1.222 CC1CCCCN1C(=O)CO 240690a_100000211376_100000210174 [0,1,0,1,0,0|0,0,2]=4 12123 B11R1.222 CC1CCCCN1C(=O)CO 527a_100000211376_100000210174 [0,1,0,1,0,0|0,0,2]=4 12124 B11R1.222 CC1CCCCN1[C@H](C)CO 269982a_100000211376_100016084084 [0,1,0,1,0,0|1,0,0]=3 12125 B11R1.222 CCC(C)N1CCCCC1C 2230a_100000211376_100000758301 [0,1,0,1,0,0|2,0,0]=4 12126 B11R1.222 CCC(C)N1CCCCC1C 269982a_100000211376_100000758301 [0,1,0,1,0,0|2,0,0]=4 12127 B11R1.222 CCC(C)N1CCCCC1C 34a_100000211376_100011215416 [0,1,0,1,0,0|2,0,0]=4 12128 B11R1.222 C[C@H](CO)N1CCOC[C@@H]1C 269982a_100009815349_100016084084 [0,1,0,1,0,0|2,0,0]=4 12129 B11R1.231 CCCCN1C[C@@H]([C@H](C1)F)O 2230a_100020590056_100000210211 [0,1,0,1,0,0|2,0,0]=4 12130 B11R1.231 CCCCN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100000210211 [0,1,0,1,0,0|2,0,0]=4 12131 B11R1.231 CCCCN1C[C@H]([C@H](C1)O)C 2230a_200015306588_100000210211 [0,1,0,1,0,0|2,0,0]=4 12132 B11R1.231 CCCCN1C[C@H]([C@H](C1)O)C 269982a_200015306588_100000210211 [0,1,0,1,0,0|2,0,0]=4 12133 B11R1.231 CCCCN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100000210211 [0,1,0,1,0,0|1,0,0]=3 12134 B11R1.231 CCCCN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100000210211 [0,1,0,1,0,0|1,0,0]=3 12135 B11R1.231 CCOCN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100000739092 [0,1,0,1,0,0|2,0,0]=4 12136 B11R1.231 COCCN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100011201679 [0,1,0,1,0,0|2,0,0]=4 12137 B11R1.231 COCCN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100000233755 [0,1,0,1,0,0|2,0,0]=4 12138 B11R1.231 CSCCN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100000751147 [0,1,0,1,0,0|2,0,0]=4 12139 B11R1.231 CSCCN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100000212216 [0,1,0,1,0,0|2,0,0]=4 12140 B11R1.231 OCCCN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100000230001 [0,1,0,1,0,0|2,0,0]=4 12141 B11R1.231 OCCCN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100011215043 [0,1,0,1,0,0|2,0,0]=4 12142 B11R1.231 O[C@@H]1CN(C[C@@H]1O)CCCF 2230a_100015207562_100011934791 [0,1,0,1,0,0|2,0,0]=4 12143 B11R1.231 O[C@@H]1CN(C[C@@H]1O)CCCF 269982a_100015207562_100011934791 [0,1,0,1,0,0|2,0,0]=4 12144 B11R1.264 CCC(C)CN1CC(C1)CO 269982a_100016987283_100000748023 [0,1,0,1,0,0|2,0,0]=4 12145 B11R1.264 CCC(C)CN1CC(C1)CO 34a_100016987283_100000748023 [0,1,0,1,0,0|2,0,0]=4 12146 B11R1.264 CCC(C)NC1CC(C1)CO 270004a_100000209981_100000101936 [0,1,0,1,0,0|2,0,0]=4 12147 B11R1.264 CCC(C)SC1CC(C1)CO 62a_100000758301_100009874164 [0,1,0,1,0,0|2,0,0]=4 12148 B11R1.264 CCC(C)SC1CC(C1)CO 62a_100009874164_100000758301 [0,1,0,1,0,0|2,0,0]=4 12149 B11R1.264 CCC(O)CN1CC(C1)CC 2230a_100015205115_100011218378 [0,1,0,1,0,0|2,0,0]=4 12150 B11R1.264 CCC(O)CN1CC(C1)CC 269982a_100015205115_100011218378 [0,1,0,1,0,0|2,0,0]=4 12151 B11R1.264 CCC(O)CN1CC(C1)CO 269982a_100016987283_100011218378 [0,1,0,1,0,0|2,0,0]=4 12152 B11R1.264 CCC(O)CN1CC(C1)CO 34a_100016987283_100011218378 [0,1,0,1,0,0|2,0,0]=4 12153 B11R1.264 CCC1CN(C1)CC(O)CO 2230a_100015205115_100011219619 [0,1,0,1,0,0|1,0,0]=3 12154 B11R1.264 CCC1CN(C1)C[C@@H](C)CO 2230a_100015205115_100000059175 [0,1,0,1,0,0|2,0,0]=4 12155 B11R1.264 CCC1CN(C1)C[C@@H](C)CO 269982a_100015205115_100000059175 [0,1,0,1,0,0|2,0,0]=4 12156 B11R1.264 CCC1CN(C1)C[C@@H](O)CF 2230a_100015205115_100015614560 [0,1,0,1,0,0|2,0,0]=4 12157 B11R1.264 CCC1CN(C1)C[C@@H](O)CO 2230a_100015205115_100009815848 [0,1,0,1,0,0|1,0,0]=3 12158 B11R1.264 CC[C@H](C)CN1CC(C1)CO 269982a_100016987283_100009816398 [0,1,0,1,0,0|2,0,0]=4 12159 B11R1.264 CC[C@H](C)CN1CC(C1)CO 34a_100016987283_100009816398 [0,1,0,1,0,0|2,0,0]=4 12160 B11R1.264 OCC(O)CN1CC(C1)CF 34a_100010363649_100011219619 [0,1,0,1,0,0|2,0,0]=4 12161 B11R1.264 OCC(O)CN1CC(C1)CO 34a_100016987283_100011219619 [0,1,0,1,0,0|2,0,0]=4 12162 B11R1.264 OCC1CN(C1)C[C@@H](O)CO 34a_100016987283_100009815848 [0,1,0,1,0,0|2,0,0]=4 12163 B11R1.264 OC[C@H](O)CN1CC(C1)CF 34a_100010363649_100009815848 [0,1,0,1,0,0|2,0,0]=4 12164 B11R1.284 CCCCC(=O)CC1CCO1 1458a_100000210183_100000103362 [0,1,0,1,0,0|1,0,1]=4 12165 B11R1.284 CCCCC(=O)CC1COC1 1458a_100000210183_100010264016 [0,1,0,1,0,0|1,0,1]=4 12166 B11R1.284 CCCCC(=O)CC1COC1 1458a_100000687760_100000210211 [0,1,0,1,0,0|1,0,1]=4 12167 B11R1.284 CCCCC(C)NC1COC1 2230a_100016991112_200011215066 [0,1,0,1,0,0|2,0,0]=4 12168 B11R1.284 CCCCC(C)NC1COC1 270004a_100016991112_100000210087 [0,1,0,1,0,0|2,0,0]=4 12169 B11R1.284 CCCCC(C)OC1COC1 34a_100000687866_100009818527 [0,1,0,1,0,0|2,0,0]=4 12170 B11R1.284 CCCCC(C)OC1COC1 7a_100000687866_100009818527 [0,1,0,1,0,0|2,0,0]=4 12171 B11R1.284 CCCCC(C)SC1COC1 62a_200011215066_100009818527 [0,1,0,1,0,0|2,0,0]=4 12172 B11R1.284 CCCCN(C)CC1CCO1 2230a_100000207549_100000103362 [0,1,0,1,0,0|2,0,0]=4 12173 B11R1.284 CCCCN(C)CC1CCO1 269982a_100000207549_100000103362 [0,1,0,1,0,0|2,0,0]=4 12174 B11R1.284 CCCCN(C)CC1COC1 2230a_100000207549_100010264016 [0,1,0,1,0,0|2,0,0]=4 12175 B11R1.284 CCCCN(C)CC1COC1 269982a_100000207549_100010264016 [0,1,0,1,0,0|2,0,0]=4 12176 B11R1.345 CCCCC(=O)CC1(CO1)C 1458a_100000210183_100000760498 [0,1,0,1,0,0|1,0,1]=4 12177 B11R1.345 CCCCN(C)CC1(CO1)C 269982a_100000207549_100000760498 [0,1,0,1,0,0|2,0,0]=4 12178 B11R1.815 CC1CC1C(=O)C[C@@H](C)CO 1458a_100000211227_100000059175 [0,1,0,1,0,0|1,0,1]=4 12179 B11R1.815 CCC(O)CC(=O)C1CC1C 1458a_100000211227_100011218378 [0,1,0,1,0,0|1,0,1]=4 12180 B11R1.875 CC(CO)N1C(CCC1C)C 2230a_100000687148_100012180447 [0,1,0,1,0,0|2,0,0]=4 12181 B11R1.875 CC(CO)N1C(CCC1C)C 34a_100000687148_100012180447 [0,1,0,1,0,0|2,0,0]=4 12182 B11R1.875 CC1CCC(N1[C@H](C)CO)C 269982a_100000687148_100016084084 [0,1,0,1,0,0|2,0,0]=4 12183 B11R1.895 CC(CO)OC1(CCCC1)C 34a_100000751722_100012180447 [0,1,0,1,0,0|2,0,0]=4 12184 B11R1.895 CC(CO)OC1(CCCC1)C 7a_100000751722_100012180447 [0,1,0,1,0,0|2,0,0]=4 12185 B11R1.1138 CCCCN1CC(C1)(C)CO 2230a_100015203900_100000210211 [0,1,0,1,0,0|2,0,0]=4 12186 B11R1.1138 CCCCN1CC(C1)(C)CO 269982a_100015203900_100000210211 [0,1,0,1,0,0|2,0,0]=4 12187 B11R1.1138 CCCCN1CC(C1)(O)CC 2230a_100015191684_100000210211 [0,1,0,1,0,0|2,0,0]=4 12188 B11R1.1138 CCCCN1CC(C1)(O)CC 269982a_100015191684_100000210211 [0,1,0,1,0,0|2,0,0]=4 12189 B11R1.12 CCC(NC)C1CCCCC1 269862a_106832991636_100011216311 [0,1,0,1,0,0|2,0,0]=4 12190 B11R1.12 CCC(OC)C1CCCCC1 34a_100011215090_200000210301 [0,1,0,1,0,0|1,0,0]=3 12191 B11R1.12 CCC(OC)C1CCCCC1 7a_100011215090_200000210301 [0,1,0,1,0,0|1,0,0]=3 12192 B11R1.12 CCC(OC)C1CCNCC1 34a_100011935121_200000210301 [0,1,0,1,0,0|2,0,0]=4 12193 B11R1.12 CCC(O[13CH3])C1CCCCC1 34a_100011215090_200025704644 [0,1,0,1,0,0|1,0,0]=3 12194 B11R1.12 CCC(O[13CH3])C1CCCCC1 7a_100011215090_200025704644 [0,1,0,1,0,0|1,0,0]=3 12195 B11R1.12 CCC(O[13CH3])C1CCNCC1 34a_100011935121_200025704644 [0,1,0,1,0,0|2,0,0]=4 12196 B11R1.12 CC[C@H](NC)C1CCCCC1 2230a_100020639352_200000210301 [0,1,0,1,0,0|2,0,0]=4 12197 B11R1.12 CC[C@H](NC)C1CCCCC1 34a_100020639352_200000210301 [0,1,0,1,0,0|2,0,0]=4 12198 B11R1.12 CC[C@H](N[13CH3])C1CCCCC1 2230a_100020639352_200025704644 [0,1,0,1,0,0|2,0,0]=4 12199 B11R1.12 CC[C@H](N[13CH3])C1CCCCC1 34a_100020639352_200025704644 [0,1,0,1,0,0|2,0,0]=4 12200 B11R1.12 CN[C@@H](CO)C1CCCCC1 2230a_100009817630_200000210301 [0,1,0,1,0,0|1,0,0]=3 12201 B11R1.12 CN[C@@H](CO)C1CCCCC1 34a_100009817630_200000210301 [0,1,0,1,0,0|1,0,0]=3 12202 B11R1.12 [13CH3]N[C@@H](CO)C1CCCCC1 2230a_100009817630_200025704644 [0,1,0,1,0,0|1,0,0]=3 12203 B11R1.12 [13CH3]N[C@@H](CO)C1CCCCC1 34a_100009817630_200025704644 [0,1,0,1,0,0|1,0,0]=3 12204 B11R1.83 CCCC1CCC(CC1)NC 2230a_100011234333_200000210301 [0,1,0,1,0,0|2,0,0]=4 12205 B11R1.83 CCCC1CCC(CC1)NC 270004a_106832991635_100000185488 [0,1,0,1,0,0|2,0,0]=4 12206 B11R1.83 CCCC1CCC(CC1)NC 34a_100011234333_200000210301 [0,1,0,1,0,0|2,0,0]=4 12207 B11R1.83 CCCC1CCC(CC1)N[13CH3] 2230a_100011234333_200025704644 [0,1,0,1,0,0|2,0,0]=4 12208 B11R1.83 CCCC1CCC(CC1)N[13CH3] 34a_100011234333_200025704644 [0,1,0,1,0,0|2,0,0]=4 12209 B11R1.83 CCCC1CCC(CC1)OC 34a_100011218949_200000210301 [0,1,0,1,0,0|1,0,0]=3 12210 B11R1.83 CCCC1CCC(CC1)OC 7a_100011218949_200000210301 [0,1,0,1,0,0|1,0,0]=3 12211 B11R1.83 CCCC1CCC(CC1)O[13CH3] 34a_100011218949_200025704644 [0,1,0,1,0,0|1,0,0]=3 12212 B11R1.83 CCCC1CCC(CC1)O[13CH3] 7a_100011218949_200025704644 [0,1,0,1,0,0|1,0,0]=3 12213 B11R1.83 CCCN1CCC(CC1)CO 2230a_100000738675_100000210303 [0,1,0,1,0,0|2,0,0]=4 12214 B11R1.83 CCCN1CCC(CC1)CO 269982a_100000738675_100000210303 [0,1,0,1,0,0|2,0,0]=4 12215 B11R1.83 CCCN1CCC(CC1)CO 34a_100000738675_100000210303 [0,1,0,1,0,0|2,0,0]=4 12216 B11R1.83 CCCN1CCC(CC1)OC 2230a_100000234800_100000210303 [0,1,0,1,0,0|2,0,0]=4 12217 B11R1.83 CCCN1CCC(CC1)OC 269982a_100000234800_100000210303 [0,1,0,1,0,0|2,0,0]=4 12218 B11R1.83 CCCN1CCC(CC1)OC 34a_100000234800_100000210303 [0,1,0,1,0,0|2,0,0]=4 12219 B11R1.83 CCNC1CCC(CC1)CO 270004a_100015525214_100000062911 [0,1,0,1,0,0|2,0,0]=4 12220 B11R1.83 CCNC1CCC(CC1)OC 270004a_100015525214_100000747084 [0,1,0,1,0,0|2,0,0]=4 12221 B11R1.83 CCNC1CCC(CC1)OC 34a_100015205214_100000210202 [0,1,0,1,0,0|2,0,0]=4 12222 B11R1.83 CCN[C@H]1CC[C@@H](CC1)CO 34a_100009821084_100000210202 [0,1,0,1,0,0|2,0,0]=4 12223 B11R1.83 CCOC1CCC(CC1)OC 34a_100011581665_100000210202 [0,1,0,1,0,0|2,0,0]=4 12224 B11R1.83 CCOC1CCC(CC1)OC 7a_100011581665_100000210202 [0,1,0,1,0,0|2,0,0]=4 12225 B11R1.83 CNCC1CCC(CC1)OC 2230a_106832991635_100013032858 [0,1,0,1,0,0|2,0,0]=4 12226 B11R1.83 CNCC1CCC(CC1)OC 34a_100102657272_100013032858 [0,1,0,1,0,0|2,0,0]=4 12227 B11R1.83 CNCC1CCC(CC1)OC 7a_106832991635_100013032858 [0,1,0,1,0,0|2,0,0]=4 12228 B11R1.83 CNC[C@H]1CC[C@@H](CC1)CO 2230a_100121570882_200000210301 [0,1,0,1,0,0|2,0,0]=4 12229 B11R1.83 CNC[C@H]1CC[C@@H](CC1)CO 34a_100121570882_200000210301 [0,1,0,1,0,0|2,0,0]=4 12230 B11R1.83 COC1CCC(CC1)CCN 34a_200011935226_200000210301 [0,1,0,1,0,0|2,0,0]=4 12231 B11R1.83 COC1CCC(CC1)CSC 62a_100013032858_200000210301 [0,1,0,1,0,0|2,0,0]=4 12232 B11R1.83 COC1CCC(CC1)CSC 62a_200000210301_100013032858 [0,1,0,1,0,0|2,0,0]=4 12233 B11R1.83 COC1CCC(CC1)CS[13CH3] 62a_100013032858_200025704644 [0,1,0,1,0,0|2,0,0]=4 12234 B11R1.83 COC1CCC(CC1)CS[13CH3] 62a_200025704644_100013032858 [0,1,0,1,0,0|2,0,0]=4 12235 B11R1.83 COCC1CCC(CC1)OC 34a_100138415774_100013032858 [0,1,0,1,0,0|2,0,0]=4 12236 B11R1.83 [13CH3]NC[C@H]1CC[C@@H](CC1)CO 2230a_100121570882_200025704644 [0,1,0,1,0,0|2,0,0]=4 12237 B11R1.83 [13CH3]NC[C@H]1CC[C@@H](CC1)CO 34a_100121570882_200025704644 [0,1,0,1,0,0|2,0,0]=4 12238 B11R1.83 [13CH3]OC1CCC(CC1)CCN 34a_200011935226_200025704644 [0,1,0,1,0,0|2,0,0]=4 12239 B11R1.84 C=C[C@@H](CO)NC1CCCC1 2230a_100016989147_100000179811 [0,1,0,1,0,0|2,0,0]=4 12240 B11R1.84 C=C[C@@H](CO)NC1CCCC1 270004a_100016989147_100000210133 [0,1,0,1,0,0|2,0,0]=4 12241 B11R1.84 C=C[C@@H](CO)NC1CCCC1 34a_100016989147_100000179811 [0,1,0,1,0,0|2,0,0]=4 12242 B11R1.84 CC[C@@H](CO)NC1CCCC1 2230a_100000709445_100000179811 [0,1,0,1,0,0|2,0,0]=4 12243 B11R1.84 CC[C@@H](CO)NC1CCCC1 270004a_100000709445_100000210133 [0,1,0,1,0,0|2,0,0]=4 12244 B11R1.84 OCC(CO)NC1CCCC1 2230a_100000759517_100000179811 [0,1,0,1,0,0|1,0,0]=3 12245 B11R1.84 OCC(CO)NC1CCOC1 2230a_100000759517_100000731011 [0,1,0,1,0,0|2,0,0]=4 12246 B11R1.170 C=C[C@@H](CO)NCC1CCC1 2230a_100016989147_100000763275 [0,1,0,1,0,0|2,0,0]=4 12247 B11R1.170 C=C[C@@H](CO)NCC1CCC1 269862a_100016989147_100000753134 [0,1,0,1,0,0|2,0,0]=4 12248 B11R1.170 C=C[C@@H](CO)NCC1CCC1 34a_100016989147_100000763275 [0,1,0,1,0,0|2,0,0]=4 12249 B11R1.170 CCC(CNC1CCC1)OC 270004a_100000731041_100000241760 [0,1,0,1,0,0|2,0,0]=4 12250 B11R1.170 CCC(COC1CCC1)OC 34a_100011934954_100000749161 [0,1,0,1,0,0|2,0,0]=4 12251 B11R1.170 CC[C@@H](CO)NCC1CCC1 2230a_100000709445_100000763275 [0,1,0,1,0,0|2,0,0]=4 12252 B11R1.170 CC[C@@H](CO)NCC1CCC1 269862a_100000709445_100000753134 [0,1,0,1,0,0|2,0,0]=4 12253 B11R1.170 OCC(CO)NCC1CCC1 2230a_100000759517_100000763275 [0,1,0,1,0,0|1,0,0]=3 12254 B11R1.170 OCC(CO)NCC1CCO1 2230a_100000759517_100000103362 [0,1,0,1,0,0|2,0,0]=4 12255 B11R1.170 OCC(CO)NCC1COC1 2230a_100000759517_100010264016 [0,1,0,1,0,0|2,0,0]=4 12256 B11R1.171 C=C[C@@H](CO)NCCC1CC1 2230a_100016989147_100000694398 [0,1,0,1,0,0|2,0,0]=4 12257 B11R1.171 C=C[C@@H](CO)NCCC1CC1 34a_100016989147_100000694398 [0,1,0,1,0,0|2,0,0]=4 12258 B11R1.171 CCC(CNCC1CC1)OC 269862a_100000731041_100000741477 [0,1,0,1,0,0|2,0,0]=4 12259 B11R1.171 CCC(COCC1CC1)OC 34a_100011934954_100000742324 [0,1,0,1,0,0|2,0,0]=4 12260 B11R1.171 CCC(COCC1CC1)OC 7a_100011934954_100000742324 [0,1,0,1,0,0|2,0,0]=4 12261 B11R1.171 CC[C@@H](CO)NCCC1CC1 2230a_100000709445_100000694398 [0,1,0,1,0,0|2,0,0]=4 12262 B11R1.171 OCC(CO)NCCC1CC1 2230a_100000759517_100000694398 [0,1,0,1,0,0|1,0,0]=3 12263 B11R1.171 OCC(CO)NCCC1CO1 2230a_100000759517_100000732470 [0,1,0,1,0,0|2,0,0]=4 12264 B11R1.190 CCCCCCN1CCC1C 269982a_100000755817_100000210757 [0,1,0,1,0,0|2,0,0]=4 12265 B11R1.190 CCCCCCN1CCC1C 34a_100000755817_100000210314 [0,1,0,1,0,0|2,0,0]=4 12266 B11R1.248 CNC1CCCCCCCC1 270004a_106832991635_100000038600 [0,1,0,1,0,0|2,0,0]=4 12267 B11R1.542 CCCCNCC1(CC1)CO 2230a_100000757901_100000210211 [0,1,0,1,0,0|2,0,0]=4 12268 B11R1.542 CCCCNCC1(CO1)CC 7a_106832991798_200000139556 [0,1,0,1,0,0|2,0,0]=4 12269 B11R1.542 CCCCOCC1(CO1)CC 34a_100000210227_200000139556 [0,1,0,1,0,0|2,0,0]=4 12270 B11R1.542 CCCCOCC1(CO1)CC 7a_100000210227_200000139556 [0,1,0,1,0,0|2,0,0]=4 12271 B11R1.542 CCCCSCC1(CO1)CC 62a_100000210211_200000139556 [0,1,0,1,0,0|2,0,0]=4 12272 B11R1.542 CCCCSCC1(CO1)CC 62a_200000139556_100000210210 [0,1,0,1,0,0|2,0,0]=4 12273 B11R1.946 CCN1CCCC1(CC)CO 2230a_100000708151_100000210202 [0,1,0,1,0,0|2,0,0]=4 12274 B11R1.946 CCN1CCCC1(CC)CO 269982a_100000708151_100000204670 [0,1,0,1,0,0|2,0,0]=4 12275 B11R1.951 CCN1CCCC(CC1)OC 2230a_100016993962_100000210202 [0,1,0,1,0,0|2,0,0]=4 12276 B11R1.951 CCN1CCCC(CC1)OC 269982a_100016993962_100000204670 [0,1,0,1,0,0|2,0,0]=4 12277 B11R1.951 CCN1CCCC(CC1)OC 34a_100016993962_100000210202 [0,1,0,1,0,0|2,0,0]=4 12278 B11R1.20 CC(=O)CC1CCC(CC1)O 1458a_100012184027_200000210301 [0,1,0,1,0,0|1,0,1]=4 12279 B11R1.20 CC(C)CN1CCC(CC1)O 2230a_100025773856_100000210760 [0,1,0,1,0,0|2,0,0]=4 12280 B11R1.20 CC(C)CN1CCC(CC1)O 269982a_100025773856_100000210624 [0,1,0,1,0,0|2,0,0]=4 12281 B11R1.20 CC(C)CN1CCC(CC1)O 270004a_100025773856_100000210432 [0,1,0,1,0,0|2,0,0]=4 12282 B11R1.20 CC(O)CN1CCC(CC1)O 2230a_100025773856_100011218427 [0,1,0,1,0,0|2,0,0]=4 12283 B11R1.20 CC(O)CN1CCC(CC1)O 269982a_100025773856_100011218427 [0,1,0,1,0,0|2,0,0]=4 12284 B11R1.20 C[C@@H](O)CN1CCC(CC1)O 2230a_100025773856_100009817552 [0,1,0,1,0,0|2,0,0]=4 12285 B11R1.20 C[C@@H](O)CN1CCC(CC1)O 269982a_100025773856_100009817552 [0,1,0,1,0,0|2,0,0]=4 12286 B11R1.20 [13CH3]C(=O)CC1CCC(CC1)O 1458a_100012184027_200025704644 [0,1,0,1,0,0|1,0,1]=4 12287 B11R1.23 CC(CO)N1CCCC(C1)F 2230a_100000697950_100012180447 [0,1,0,1,0,0|2,0,0]=4 12288 B11R1.23 CC(CO)N1CCCC(C1)F 34a_100000697950_100012180447 [0,1,0,1,0,0|2,0,0]=4 12289 B11R1.23 CC(CO)N1CCCC(C1)O 2230a_100000211013_100012180447 [0,1,0,1,0,0|2,0,0]=4 12290 B11R1.23 CC(CO)N1CCC[C@@H](C1)C 2230a_100000717927_100012180447 [0,1,0,1,0,0|2,0,0]=4 12291 B11R1.23 CC(CO)N1CCC[C@@H](C1)C 34a_100000717927_100012180447 [0,1,0,1,0,0|2,0,0]=4 12292 B11R1.23 C[C@H](CO)N1CCCC(C1)F 269982a_100000697950_100016084084 [0,1,0,1,0,0|2,0,0]=4 12293 B11R1.23 C[C@H](CO)N1CCCC(C1)O 269982a_100000211013_100016084084 [0,1,0,1,0,0|2,0,0]=4 12294 B11R1.23 C[C@H]1CCCN(C1)[C@H](C)CO 269982a_100000717927_100016084084 [0,1,0,1,0,0|2,0,0]=4 12295 B11R1.43 CC(C)CN1CCC(C1)CO 2230a_100000748654_100000210760 [0,1,0,1,0,0|2,0,0]=4 12296 B11R1.43 CC(C)CN1CCC(C1)CO 269982a_100000748654_100000210624 [0,1,0,1,0,0|2,0,0]=4 12297 B11R1.43 CC(C)CN1CCC(C1)CO 270004a_100000748654_100000210432 [0,1,0,1,0,0|2,0,0]=4 12298 B11R1.43 CC(C)CN1CCC(C1)CO 34a_100000748654_100000210624 [0,1,0,1,0,0|2,0,0]=4 12299 B11R1.43 CC(O)CN1CCC(C1)CO 2230a_100000748654_100011218427 [0,1,0,1,0,0|2,0,0]=4 12300 B11R1.43 CC(O)CN1CCC(C1)CO 269982a_100000748654_100011218427 [0,1,0,1,0,0|2,0,0]=4 12301 B11R1.43 CC(O)CN1CCC(C1)CO 34a_100000748654_100011218427 [0,1,0,1,0,0|2,0,0]=4 12302 B11R1.43 C[C@@H](O)CN1CCC(C1)CO 2230a_100000748654_100009817552 [0,1,0,1,0,0|2,0,0]=4 12303 B11R1.43 C[C@@H](O)CN1CCC(C1)CO 269982a_100000748654_100009817552 [0,1,0,1,0,0|2,0,0]=4 12304 B11R1.43 C[C@@H](O)CN1CCC(C1)CO 34a_100000748654_100009817552 [0,1,0,1,0,0|2,0,0]=4 12305 B11R1.75 CC(C)CCN1CCC(C1)O 2230a_100011215560_100000210312 [0,1,0,1,0,0|2,0,0]=4 12306 B11R1.75 CC(C)CCN1CCC(C1)O 269982a_100011215560_100000210312 [0,1,0,1,0,0|2,0,0]=4 12307 B11R1.75 CC(C)CNC1CCC(C1)O 270004a_100000210953_100012614533 [0,1,0,1,0,0|2,0,0]=4 12308 B11R1.75 CC(C)CN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210760 [0,1,0,1,0,0|2,0,0]=4 12309 B11R1.75 CC(C)CN[C@H]1CC[C@H](C1)O 270004a_100015195300_100000210432 [0,1,0,1,0,0|2,0,0]=4 12310 B11R1.75 CC(O)CCN1CCC(C1)O 2230a_100011215560_100012276601 [0,1,0,1,0,0|2,0,0]=4 12311 B11R1.75 CC(O)CCN1CCC(C1)O 269982a_100011215560_100012276601 [0,1,0,1,0,0|2,0,0]=4 12312 B11R1.75 CC(O)CNC1CCC(C1)O 270004a_100000210904_100012614533 [0,1,0,1,0,0|2,0,0]=4 12313 B11R1.75 CC(O)CN[C@H]1CC[C@H](C1)O 2230a_100015195300_100011218427 [0,1,0,1,0,0|2,0,0]=4 12314 B11R1.75 C[C@@H](O)CN[C@H]1CC[C@H](C1)O 2230a_100015195300_100009817552 [0,1,0,1,0,0|2,0,0]=4 12315 B11R1.147 CC(C)CCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210312 [0,1,0,1,0,0|2,0,0]=4 12316 B11R1.147 CC(C)CCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210312 [0,1,0,1,0,0|2,0,0]=4 12317 B11R1.147 CC(O)CCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100012276601 [0,1,0,1,0,0|2,0,0]=4 12318 B11R1.147 CC(O)CCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100012276601 [0,1,0,1,0,0|2,0,0]=4 12319 B11R1.174 CC(Br)CCOCC1CCO1 34a_100009893172_100000103362 [0,1,0,1,0,0|2,0,0]=4 12320 B11R1.174 CC(Br)CCOCC1COC1 34a_100009893172_100010264016 [0,1,0,1,0,0|2,0,0]=4 12321 B11R1.174 CC(C)CCCNC1COC1 2230a_100016991112_100011214892 [0,1,0,1,0,0|2,0,0]=4 12322 B11R1.174 CC(C)CCCNC1COC1 34a_200000737386_100009818527 [0,1,0,1,0,0|2,0,0]=4 12323 B11R1.174 CC(C)CCCOC1COC1 34a_100000210774_100009818527 [0,1,0,1,0,0|2,0,0]=4 12324 B11R1.174 CC(C)CCCOC1COC1 7a_100000210774_100009818527 [0,1,0,1,0,0|2,0,0]=4 12325 B11R1.174 CC(C)CCCSC1COC1 62a_100011214892_100009818527 [0,1,0,1,0,0|2,0,0]=4 12326 B11R1.174 CC(C)CCNCC1COC1 2230a_100015281925_100000210312 [0,1,0,1,0,0|2,0,0]=4 12327 B11R1.174 CC(C)CCNCC1COC1 269862a_100015281925_100000185833 [0,1,0,1,0,0|2,0,0]=4 12328 B11R1.174 CC(C)CCNCC1COC1 34a_100015281925_100000210312 [0,1,0,1,0,0|2,0,0]=4 12329 B11R1.174 CC(C)CCNC[C@@H]1CCO1 2230a_100020831831_100000210312 [0,1,0,1,0,0|2,0,0]=4 12330 B11R1.174 CC(C)CCNC[C@@H]1CCO1 269862a_100020831831_100000185833 [0,1,0,1,0,0|2,0,0]=4 12331 B11R1.174 CC(C)CCNC[C@@H]1CCO1 34a_100020831831_100000210312 [0,1,0,1,0,0|2,0,0]=4 12332 B11R1.174 CC(C)CCOCC1CCO1 34a_100000039022_100000210312 [0,1,0,1,0,0|2,0,0]=4 12333 B11R1.174 CC(C)CCOCC1CCO1 34a_100000210254_100000103362 [0,1,0,1,0,0|2,0,0]=4 12334 B11R1.174 CC(C)CCOCC1CCO1 7a_100000210254_100000103362 [0,1,0,1,0,0|2,0,0]=4 12335 B11R1.174 CC(C)CCOCC1COC1 34a_100000060846_100000210312 [0,1,0,1,0,0|2,0,0]=4 12336 B11R1.174 CC(C)CCOCC1COC1 34a_100000210254_100010264016 [0,1,0,1,0,0|2,0,0]=4 12337 B11R1.174 CC(C)CCOCC1COC1 7a_100000210254_100010264016 [0,1,0,1,0,0|2,0,0]=4 12338 B11R1.174 CC(C)CCSCC1CCO1 62a_100000103362_100000210312 [0,1,0,1,0,0|2,0,0]=4 12339 B11R1.174 CC(C)CCSCC1CCO1 62a_100000210312_100000103362 [0,1,0,1,0,0|2,0,0]=4 12340 B11R1.174 CC(C)CCSCC1COC1 62a_100000210312_100010264016 [0,1,0,1,0,0|2,0,0]=4 12341 B11R1.174 CC(C)CCSCC1COC1 62a_100010264016_100000210312 [0,1,0,1,0,0|2,0,0]=4 12342 B11R1.174 CC(C)COCCC1COC1 34a_100009855314_100000210624 [0,1,0,1,0,0|2,0,0]=4 12343 B11R1.174 CC(O)CCCNC1COC1 2230a_100016991112_200000718107 [0,1,0,1,0,0|2,0,0]=4 12344 B11R1.174 CC(O)CCCSC1COC1 62a_200000718107_100009818527 [0,1,0,1,0,0|2,0,0]=4 12345 B11R1.174 CC(O)CCNCC1CCO1 2230a_200000755665_100000103362 [0,1,0,1,0,0|2,0,0]=4 12346 B11R1.174 CC(O)CCNCC1COC1 2230a_100015281925_100012276601 [0,1,0,1,0,0|2,0,0]=4 12347 B11R1.174 CC(O)CCNCC1COC1 2230a_200000755665_100010264016 [0,1,0,1,0,0|2,0,0]=4 12348 B11R1.174 CC(O)CCNCC1COC1 34a_100015281925_100012276601 [0,1,0,1,0,0|2,0,0]=4 12349 B11R1.174 CC(O)CCNC[C@@H]1CCO1 2230a_100020831831_100012276601 [0,1,0,1,0,0|2,0,0]=4 12350 B11R1.174 CC(O)CCNC[C@@H]1CCO1 34a_100020831831_100012276601 [0,1,0,1,0,0|2,0,0]=4 12351 B11R1.174 CC(O)CCOCC1CCO1 34a_100000039022_100012276601 [0,1,0,1,0,0|2,0,0]=4 12352 B11R1.174 CC(O)CCOCC1COC1 34a_100000060846_100012276601 [0,1,0,1,0,0|2,0,0]=4 12353 B11R1.174 CC(O)CCSCC1CCO1 62a_100000103362_100012276601 [0,1,0,1,0,0|2,0,0]=4 12354 B11R1.174 CC(O)CCSCC1CCO1 62a_100012276601_100000103362 [0,1,0,1,0,0|2,0,0]=4 12355 B11R1.174 CC(O)CCSCC1COC1 62a_100010264016_100012276601 [0,1,0,1,0,0|2,0,0]=4 12356 B11R1.174 CC(O)CCSCC1COC1 62a_100012276601_100010264016 [0,1,0,1,0,0|2,0,0]=4 12357 B11R1.174 CC(O)COCCC1COC1 34a_100009855314_100011218427 [0,1,0,1,0,0|2,0,0]=4 12358 B11R1.174 C[C@@H](N)CCOCC1CCO1 34a_100000706166_100000103362 [0,1,0,1,0,0|2,0,0]=4 12359 B11R1.174 C[C@@H](N)CCOCC1COC1 34a_100000706166_100010264016 [0,1,0,1,0,0|2,0,0]=4 12360 B11R1.174 C[C@@H](O)COCCC1COC1 34a_100009855314_100009817552 [0,1,0,1,0,0|2,0,0]=4 12361 B11R1.224 C=C1CC(C1)NCC(O)CO 2230a_100132301982_100011219619 [0,1,0,1,0,0|1,0,1]=4 12362 B11R1.224 C=C1CC(C1)NC[C@@H](O)CO 2230a_100132301982_100009815848 [0,1,0,1,0,0|1,0,1]=4 12363 B11R1.224 CC(CO)NCC1CC(C1)O 2230a_100016992100_100012180447 [0,1,0,1,0,0|2,0,0]=4 12364 B11R1.224 CC(CO)OCC1CC(C1)Cl 34a_100009874164_100012180447 [0,1,0,1,0,0|2,0,0]=4 12365 B11R1.224 CCC(O)CNC1CC(C1)F 2230a_100016993743_100011218378 [0,1,0,1,0,0|2,0,0]=4 12366 B11R1.224 CCC(O)CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100011218378 [0,1,0,1,0,0|2,0,0]=4 12367 B11R1.224 C[C@@H](CO)CNC1CC(C1)F 2230a_100016993743_100000059175 [0,1,0,1,0,0|2,0,0]=4 12368 B11R1.224 C[C@@H](CO)CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000059175 [0,1,0,1,0,0|2,0,0]=4 12369 B11R1.224 O=C1CC(C1)SCC(O)CO 62a_100009894365_100011219619 [0,1,0,1,0,0|1,0,1]=4 12370 B11R1.224 O=C1CC(C1)SC[C@@H](O)CO 62a_100009894365_100009815848 [0,1,0,1,0,0|1,0,1]=4 12371 B11R1.224 OCC(O)CNC1CC(C1)F 2230a_100016993743_100011219619 [0,1,0,1,0,0|1,0,0]=3 12372 B11R1.224 OCC(O)CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100011219619 [0,1,0,1,0,0|1,0,0]=3 12373 B11R1.224 OC[C@H](O)CNC1CC(C1)F 2230a_100016993743_100009815848 [0,1,0,1,0,0|1,0,0]=3 12374 B11R1.224 OC[C@H](O)CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100009815848 [0,1,0,1,0,0|1,0,0]=3 12375 B11R1.224 O[C@@H](CF)CNC1CC(C1)F 2230a_100016993743_100015614560 [0,1,0,1,0,0|2,0,0]=4 12376 B11R1.224 O[C@@H](CF)CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100015614560 [0,1,0,1,0,0|2,0,0]=4 12377 B11R1.227 CC(CO)N1CCCC1(C)C 2230a_100000761399_100012180447 [0,1,0,1,0,0|2,0,0]=4 12378 B11R1.227 CC(CO)N1CCCC1(C)C 34a_100000761399_100012180447 [0,1,0,1,0,0|2,0,0]=4 12379 B11R1.227 C[C@H](CO)N1CCCC1(C)C 269982a_100000761399_100016084084 [0,1,0,1,0,0|2,0,0]=4 12380 B11R1.235 C=CC(O)COCC1CC1C 34a_100000744939_100000730141 [0,1,0,1,0,0|1,0,1]=4 12381 B11R1.235 C=CC(O)COCC1CC1C 7a_100000744939_100000730141 [0,1,0,1,0,0|1,0,1]=4 12382 B11R1.235 CC1CC1COCC(O)CO 34a_100000744939_100011219619 [0,1,0,1,0,0|0,0,0]=2 12383 B11R1.235 CC1CC1COCC(O)CO 7a_100000744939_100011219619 [0,1,0,1,0,0|0,0,0]=2 12384 B11R1.235 CC1CC1COC[C@@H](C)CO 34a_100000744939_100000059175 [0,1,0,1,0,0|1,0,0]=3 12385 B11R1.235 CC1CC1COC[C@@H](C)CO 7a_100000744939_100000059175 [0,1,0,1,0,0|1,0,0]=3 12386 B11R1.235 CC1CC1COC[C@@H](O)CF 34a_100000744939_100015614560 [0,1,0,1,0,0|1,0,0]=3 12387 B11R1.235 CC1CC1COC[C@@H](O)CF 7a_100000744939_100015614560 [0,1,0,1,0,0|1,0,0]=3 12388 B11R1.235 CC1CC1COC[C@@H](O)CO 34a_100000744939_100009815848 [0,1,0,1,0,0|0,0,0]=2 12389 B11R1.235 CC1CC1COC[C@@H](O)CO 7a_100000744939_100009815848 [0,1,0,1,0,0|0,0,0]=2 12390 B11R1.235 CCC(C)COCC1CC1C 34a_100000744939_100000748023 [0,1,0,1,0,0|2,0,0]=4 12391 B11R1.235 CCC(C)COCC1CC1C 7a_100000744939_100000748023 [0,1,0,1,0,0|2,0,0]=4 12392 B11R1.235 CCC(O)COCC1CC1C 34a_100000744939_100011218378 [0,1,0,1,0,0|1,0,0]=3 12393 B11R1.235 CCC(O)COCC1CC1C 7a_100000744939_100011218378 [0,1,0,1,0,0|1,0,0]=3 12394 B11R1.235 CC[C@H](C)COCC1CC1C 34a_100000744939_100009816398 [0,1,0,1,0,0|2,0,0]=4 12395 B11R1.235 CC[C@H](C)COCC1CC1C 7a_100000744939_100009816398 [0,1,0,1,0,0|2,0,0]=4 12396 B11R1.237 C=CC(O)CNCCC1CC1 34a_100000764129_100000730141 [0,1,0,1,0,0|1,0,1]=4 12397 B11R1.237 C=CC(O)COCCC1CC1 34a_100000754188_100000730141 [0,1,0,1,0,0|1,0,1]=4 12398 B11R1.237 C=CC(O)COCCC1CC1 7a_100000754188_100000730141 [0,1,0,1,0,0|1,0,1]=4 12399 B11R1.237 C=CC(O)CSCCC1CC1 62a_100000730141_100000764125 [0,1,0,1,0,0|1,0,1]=4 12400 B11R1.237 C=CC(O)CSCCC1CC1 62a_100000764125_100000730141 [0,1,0,1,0,0|1,0,1]=4 12401 B11R1.237 CC(CN)COCCC1CC1 34a_100000744482_100000694398 [0,1,0,1,0,0|2,0,0]=4 12402 B11R1.237 CC(CO)CCNCC1CC1 2230a_106354213184_100000742324 [0,1,0,1,0,0|1,0,0]=3 12403 B11R1.237 CC(CO)CCNCC1CC1 269862a_106354213184_100000741477 [0,1,0,1,0,0|1,0,0]=3 12404 B11R1.237 CC(CO)CCNCC1CC1 34a_106354213184_100000742324 [0,1,0,1,0,0|1,0,0]=3 12405 B11R1.237 CC(CO)CCNCC1CO1 2230a_106354213184_100011216344 [0,1,0,1,0,0|2,0,0]=4 12406 B11R1.237 CC(CO)CCNCC1CO1 34a_106354213184_102125554688 [0,1,0,1,0,0|2,0,0]=4 12407 B11R1.237 CC(CO)CNCCC1CC1 34a_100000744482_100000694398 [0,1,0,1,0,0|1,0,0]=3 12408 B11R1.237 CC(CO)CNCCC1CO1 34a_100000744482_100000732470 [0,1,0,1,0,0|2,0,0]=4 12409 B11R1.237 CC(CO)OCCNC1CC1 34a_100000738766_100012180447 [0,1,0,1,0,0|2,0,0]=4 12410 B11R1.237 CC(CO)SCCCC1CO1 62a_100012180447_100000733510 [0,1,0,1,0,0|2,0,0]=4 12411 B11R1.237 CCC(C)CCNCC1CC1 2230a_100020591266_100000742324 [0,1,0,1,0,0|2,0,0]=4 12412 B11R1.237 CCC(C)CCNCC1CC1 269862a_100020591266_100000741477 [0,1,0,1,0,0|2,0,0]=4 12413 B11R1.237 CCC(C)CCOCC1CC1 7a_100011215188_100000742324 [0,1,0,1,0,0|2,0,0]=4 12414 B11R1.237 CCC(C)CNCCC1CC1 2230a_100020588543_100000694398 [0,1,0,1,0,0|2,0,0]=4 12415 B11R1.237 CCC(C)CNCCC1CC1 270004a_100000764129_100000243153 [0,1,0,1,0,0|2,0,0]=4 12416 B11R1.237 CCC(C)CNCCC1CC1 34a_100000764129_100000748023 [0,1,0,1,0,0|2,0,0]=4 12417 B11R1.237 CCC(C)COCCC1CC1 34a_100000754188_100000748023 [0,1,0,1,0,0|2,0,0]=4 12418 B11R1.237 CCC(C)COCCC1CC1 7a_100000754188_100000748023 [0,1,0,1,0,0|2,0,0]=4 12419 B11R1.237 CCC(C)CSCCC1CC1 62a_100000748023_100000764125 [0,1,0,1,0,0|2,0,0]=4 12420 B11R1.237 CCC(C)CSCCC1CC1 62a_100000764125_100000748023 [0,1,0,1,0,0|2,0,0]=4 12421 B11R1.237 CCC(O)CNCCC1CC1 2230a_100011218483_100000694398 [0,1,0,1,0,0|1,0,0]=3 12422 B11R1.237 CCC(O)CNCCC1CC1 34a_100000764129_100011218378 [0,1,0,1,0,0|1,0,0]=3 12423 B11R1.237 CCC(O)CNCCC1CO1 2230a_100011218483_100000732470 [0,1,0,1,0,0|2,0,0]=4 12424 B11R1.237 CCC(O)COCCC1CC1 34a_100000754188_100011218378 [0,1,0,1,0,0|1,0,0]=3 12425 B11R1.237 CCC(O)COCCC1CC1 7a_100000754188_100011218378 [0,1,0,1,0,0|1,0,0]=3 12426 B11R1.237 CCC(O)COCC[C@@H]1CO1 34a_100009820653_100011218378 [0,1,0,1,0,0|2,0,0]=4 12427 B11R1.237 CCC(O)CSCCC1CC1 62a_100000764125_100011218378 [0,1,0,1,0,0|1,0,0]=3 12428 B11R1.237 CCC(O)CSCCC1CC1 62a_100011218378_100000764125 [0,1,0,1,0,0|1,0,0]=3 12429 B11R1.237 CCC(O)CSCCC1CO1 62a_100000732470_100011218378 [0,1,0,1,0,0|2,0,0]=4 12430 B11R1.237 CCC(O)CSCCC1CO1 62a_100011218378_100000732470 [0,1,0,1,0,0|2,0,0]=4 12431 B11R1.237 CC[C@H](C)CNCCC1CC1 34a_100000764129_100009816398 [0,1,0,1,0,0|2,0,0]=4 12432 B11R1.237 CC[C@H](C)COCCC1CC1 34a_100000754188_100009816398 [0,1,0,1,0,0|2,0,0]=4 12433 B11R1.237 CC[C@H](C)COCCC1CC1 7a_100000754188_100009816398 [0,1,0,1,0,0|2,0,0]=4 12434 B11R1.237 CC[C@H](C)COCCC1CC1 7a_100009816381_100000764125 [0,1,0,1,0,0|2,0,0]=4 12435 B11R1.237 CC[C@H](C)CSCCC1CC1 62a_100000764125_100009816398 [0,1,0,1,0,0|2,0,0]=4 12436 B11R1.237 CC[C@H](C)CSCCC1CC1 62a_100009816398_100000764125 [0,1,0,1,0,0|2,0,0]=4 12437 B11R1.237 C[C@@H](CN)CCCOC1CC1 34a_100160569302_100000211595 [0,1,0,1,0,0|2,0,0]=4 12438 B11R1.237 C[C@@H](CO)CNCCC1CC1 34a_100000764129_100000059175 [0,1,0,1,0,0|1,0,0]=3 12439 B11R1.237 C[C@@H](CO)COCCC1CC1 34a_100000754188_100000059175 [0,1,0,1,0,0|1,0,0]=3 12440 B11R1.237 C[C@@H](CO)COCCC1CC1 7a_100000754188_100000059175 [0,1,0,1,0,0|1,0,0]=3 12441 B11R1.237 C[C@@H](CO)COCC[C@@H]1CO1 34a_100009820653_100000059175 [0,1,0,1,0,0|2,0,0]=4 12442 B11R1.237 C[C@@H](CO)CSCCC1CC1 62a_100000059175_100000764125 [0,1,0,1,0,0|1,0,0]=3 12443 B11R1.237 C[C@@H](CO)CSCCC1CC1 62a_100000764125_100000059175 [0,1,0,1,0,0|1,0,0]=3 12444 B11R1.237 C[C@@H](CO)CSCCC1CO1 62a_100000059175_100000732470 [0,1,0,1,0,0|2,0,0]=4 12445 B11R1.237 C[C@@H](CO)CSCCC1CO1 62a_100000732470_100000059175 [0,1,0,1,0,0|2,0,0]=4 12446 B11R1.237 C[C@H](CO)NCCCC1CO1 2230a_100000737577_100000733510 [0,1,0,1,0,0|2,0,0]=4 12447 B11R1.237 C[C@H](CO)SCCCC1CO1 62a_100000733510_100016084084 [0,1,0,1,0,0|2,0,0]=4 12448 B11R1.237 C[C@H](CO)SCCCC1CO1 62a_100016084084_100000733510 [0,1,0,1,0,0|2,0,0]=4 12449 B11R1.237 ClCC(Cl)COCCC1CC1 34a_100000033668_100000694398 [0,1,0,1,0,0|2,0,0]=4 12450 B11R1.237 NC[C@@H](F)COCCC1CC1 34a_100015665980_100000694398 [0,1,0,1,0,0|2,0,0]=4 12451 B11R1.237 OCC(O)C=NNCC1CC1 4a_100000736359_100000033539 [0,1,0,1,0,0|1,0,1]=4 12452 B11R1.237 OCC(O)CNCCC1CC1 34a_100000764129_100011219619 [0,1,0,1,0,0|0,0,0]=2 12453 B11R1.237 OCC(O)COCCC1CC1 34a_100000754188_100011219619 [0,1,0,1,0,0|0,0,0]=2 12454 B11R1.237 OCC(O)COCCC1CC1 7a_100000754188_100011219619 [0,1,0,1,0,0|0,0,0]=2 12455 B11R1.237 OCC(O)COCC[C@@H]1CO1 34a_100009820653_100011219619 [0,1,0,1,0,0|1,0,0]=3 12456 B11R1.237 OCC(O)CSCCC1CC1 62a_100000764125_100011219619 [0,1,0,1,0,0|0,0,0]=2 12457 B11R1.237 OCC(O)CSCCC1CC1 62a_100011219619_100000764125 [0,1,0,1,0,0|0,0,0]=2 12458 B11R1.237 OCC(O)CSCCC1CO1 62a_100000732470_100011219619 [0,1,0,1,0,0|1,0,0]=3 12459 B11R1.237 OCC(O)CSCCC1CO1 62a_100011219619_100000732470 [0,1,0,1,0,0|1,0,0]=3 12460 B11R1.237 OC[C@@H](O)CNCCC1CC1 2230a_100020644852_100000694398 [0,1,0,1,0,0|0,0,0]=2 12461 B11R1.237 OC[C@@H](O)CNCCC1CO1 2230a_100020644852_100000732470 [0,1,0,1,0,0|1,0,0]=3 12462 B11R1.237 OC[C@H](F)CNCCC1CC1 34a_100015665980_100000694398 [0,1,0,1,0,0|1,0,0]=3 12463 B11R1.237 OC[C@H](F)CNCCC1CO1 34a_100015665980_100000732470 [0,1,0,1,0,0|2,0,0]=4 12464 B11R1.237 OC[C@H](O)CNCCC1CC1 34a_100000764129_100009815848 [0,1,0,1,0,0|0,0,0]=2 12465 B11R1.237 OC[C@H](O)COCCC1CC1 34a_100000754188_100009815848 [0,1,0,1,0,0|0,0,0]=2 12466 B11R1.237 OC[C@H](O)COCCC1CC1 7a_100000754188_100009815848 [0,1,0,1,0,0|0,0,0]=2 12467 B11R1.237 OC[C@H](O)COCC[C@@H]1CO1 34a_100009820653_100009815848 [0,1,0,1,0,0|1,0,0]=3 12468 B11R1.237 OC[C@H](O)CSCCC1CC1 62a_100000764125_100009815848 [0,1,0,1,0,0|0,0,0]=2 12469 B11R1.237 OC[C@H](O)CSCCC1CC1 62a_100009815848_100000764125 [0,1,0,1,0,0|0,0,0]=2 12470 B11R1.237 OC[C@H](O)CSCCC1CO1 62a_100000732470_100009815848 [0,1,0,1,0,0|1,0,0]=3 12471 B11R1.237 OC[C@H](O)CSCCC1CO1 62a_100009815848_100000732470 [0,1,0,1,0,0|1,0,0]=3 12472 B11R1.237 O[C@@H](CF)CNCCC1CC1 34a_100000764129_100015614560 [0,1,0,1,0,0|1,0,0]=3 12473 B11R1.237 O[C@@H](CF)COCCC1CC1 34a_100000754188_100015614560 [0,1,0,1,0,0|1,0,0]=3 12474 B11R1.237 O[C@@H](CF)COCCC1CC1 7a_100000754188_100015614560 [0,1,0,1,0,0|1,0,0]=3 12475 B11R1.237 O[C@@H](CF)COCC[C@@H]1CO1 34a_100009820653_100015614560 [0,1,0,1,0,0|2,0,0]=4 12476 B11R1.237 O[C@@H](CF)CSCCC1CC1 62a_100000764125_100015614560 [0,1,0,1,0,0|1,0,0]=3 12477 B11R1.237 O[C@@H](CF)CSCCC1CC1 62a_100015614560_100000764125 [0,1,0,1,0,0|1,0,0]=3 12478 B11R1.237 O[C@@H](CF)CSCCC1CO1 62a_100000732470_100015614560 [0,1,0,1,0,0|2,0,0]=4 12479 B11R1.237 O[C@@H](CF)CSCCC1CO1 62a_100015614560_100000732470 [0,1,0,1,0,0|2,0,0]=4 12480 B11R1.262 CC(C)CCN1CC(C1)CO 269982a_100016987283_100000210312 [0,1,0,1,0,0|2,0,0]=4 12481 B11R1.262 CC(C)CCN1CC(C1)CO 34a_100016987283_100000210312 [0,1,0,1,0,0|2,0,0]=4 12482 B11R1.262 CC(C)CNC1CC(C1)CO 270004a_100000095622_100000210432 [0,1,0,1,0,0|2,0,0]=4 12483 B11R1.262 CC(C)CNC1CC(C1)CO 270004a_100000210953_100000101936 [0,1,0,1,0,0|2,0,0]=4 12484 B11R1.262 CC(C)CSC1CC(C1)CO 62a_100000210624_100009874164 [0,1,0,1,0,0|2,0,0]=4 12485 B11R1.262 CC(C)CSC1CC(C1)CO 62a_100009874164_100000210760 [0,1,0,1,0,0|2,0,0]=4 12486 B11R1.262 CC(O)CCN1CC(C1)CO 269982a_100016987283_100012276601 [0,1,0,1,0,0|2,0,0]=4 12487 B11R1.262 CC(O)CCN1CC(C1)CO 34a_100016987283_100012276601 [0,1,0,1,0,0|2,0,0]=4 12488 B11R1.262 CC(O)CNC1CC(C1)CO 270004a_100000210904_100000101936 [0,1,0,1,0,0|2,0,0]=4 12489 B11R1.262 CC(O)CSC1CC(C1)CO 62a_100009874164_100011218427 [0,1,0,1,0,0|2,0,0]=4 12490 B11R1.262 CC(O)CSC1CC(C1)CO 62a_100011218427_100009874164 [0,1,0,1,0,0|2,0,0]=4 12491 B11R1.262 C[C@@H](O)CSC1CC(C1)CO 62a_100009817552_100009874164 [0,1,0,1,0,0|2,0,0]=4 12492 B11R1.262 C[C@@H](O)CSC1CC(C1)CO 62a_100009874164_100009817552 [0,1,0,1,0,0|2,0,0]=4 12493 B11R1.266 CC(C)N1CCCC(C1)CO 2230a_100000211344_100000210206 [0,1,0,1,0,0|2,0,0]=4 12494 B11R1.266 CC(C)N1CCCC(C1)CO 269982a_100000211344_100000210206 [0,1,0,1,0,0|2,0,0]=4 12495 B11R1.266 CC(C)N1CCCC(C1)CO 34a_100000211344_100000210206 [0,1,0,1,0,0|2,0,0]=4 12496 B11R1.266 CCN1CCCC(C1)C(C)O 2230a_100000740858_100000210202 [0,1,0,1,0,0|2,0,0]=4 12497 B11R1.266 CCN1CCCC(C1)C(C)O 269982a_100000740858_100000204670 [0,1,0,1,0,0|2,0,0]=4 12498 B11R1.266 CCN1CCCC(C1)C(C)O 34a_100000740858_100000210202 [0,1,0,1,0,0|2,0,0]=4 12499 B11R1.395 CC(C)N1CCC[C@@]1(C)CO 2230a_100016195882_100000210206 [0,1,0,1,0,0|2,0,0]=4 12500 B11R1.395 CC(C)N1CCC[C@@]1(C)CO 269982a_100016195882_100000210206 [0,1,0,1,0,0|2,0,0]=4 12501 B11R1.395 CC(C)N1CCC[C@@]1(C)CO 34a_100016195882_100000210206 [0,1,0,1,0,0|2,0,0]=4 12502 B11R1.565 CC(C)N1CCCC(CC1)O 2230a_100015186869_100000210206 [0,1,0,1,0,0|2,0,0]=4 12503 B11R1.565 CC(C)N1CCCC(CC1)O 269982a_100015186869_100000210206 [0,1,0,1,0,0|2,0,0]=4 12504 B11R1.717 CC(Br)CCOCC1(CO1)C 34a_100009893172_100000760498 [0,1,0,1,0,0|2,0,0]=4 12505 B11R1.717 CC(C)CCNCC1(CC1)O 2230a_100011936951_100000210312 [0,1,0,1,0,0|2,0,0]=4 12506 B11R1.717 CC(C)CCNCC1(CC1)O 269862a_100011936951_100000185833 [0,1,0,1,0,0|2,0,0]=4 12507 B11R1.717 CC(C)CCOCC1(CO1)C 34a_100000210254_100000760498 [0,1,0,1,0,0|2,0,0]=4 12508 B11R1.717 CC(C)CCSCC1(CO1)C 62a_100000210312_100000760498 [0,1,0,1,0,0|2,0,0]=4 12509 B11R1.717 CC(C)CCSCC1(CO1)C 62a_100000760498_100000210312 [0,1,0,1,0,0|2,0,0]=4 12510 B11R1.717 CC(O)CCNCC1(CC1)O 2230a_100011936951_100012276601 [0,1,0,1,0,0|2,0,0]=4 12511 B11R1.717 CC(O)CCSCC1(CO1)C 62a_100000760498_100012276601 [0,1,0,1,0,0|2,0,0]=4 12512 B11R1.717 CC(O)CCSCC1(CO1)C 62a_100012276601_100000760498 [0,1,0,1,0,0|2,0,0]=4 12513 B11R1.717 C[C@@H](N)CCOCC1(CO1)C 34a_100000706166_100000760498 [0,1,0,1,0,0|2,0,0]=4 12514 B11R1.858 CC(CO)OCC1CC1(C)C 34a_100000728257_100012180447 [0,1,0,1,0,0|2,0,0]=4 12515 B11R1.858 CC(CO)OCC1CC1(C)C 7a_100000728257_100012180447 [0,1,0,1,0,0|2,0,0]=4 12516 B11R1.858 OCC(O)CNC1CC1(F)F 2230a_100020610826_100011219619 [0,1,0,1,0,0|2,0,0]=4 12517 B11R1.858 OCC(O)CNC1CC1(F)F 34a_100020610826_100011219619 [0,1,0,1,0,0|2,0,0]=4 12518 B11R1.858 OC[C@H](O)CNC1CC1(F)F 2230a_100020610826_100009815848 [0,1,0,1,0,0|2,0,0]=4 12519 B11R1.858 OC[C@H](O)CNC1CC1(F)F 34a_100020610826_100009815848 [0,1,0,1,0,0|2,0,0]=4 12520 B11R1.22 CC(CO)N1CCC(CC1)F 2230a_100015193889_100012180447 [0,1,0,1,0,0|2,0,0]=4 12521 B11R1.22 CC(CO)N1CCC(CC1)F 34a_100015193889_100012180447 [0,1,0,1,0,0|2,0,0]=4 12522 B11R1.22 CC(CO)N1CCC(CC1)O 2230a_100025773856_100012180447 [0,1,0,1,0,0|2,0,0]=4 12523 B11R1.22 CC1CCC(CC1)C(=O)CO 1458a_100000210174_200011216234 [0,1,0,1,0,0|0,0,2]=4 12524 B11R1.22 CC1CCN(CC1)C(C)CO 2230a_100000188429_100012180447 [0,1,0,1,0,0|2,0,0]=4 12525 B11R1.22 CC1CCN(CC1)C(C)CO 34a_100000188429_100012180447 [0,1,0,1,0,0|2,0,0]=4 12526 B11R1.22 CC1CCN(CC1)[C@H](C)CO 269982a_100000188429_100016084084 [0,1,0,1,0,0|2,0,0]=4 12527 B11R1.22 CCC(=O)C1CCC(CC1)O 1458a_100000743365_100000210202 [0,1,0,1,0,0|1,0,1]=4 12528 B11R1.22 CCC(C)N1CCC(CC1)O 2230a_100025773856_100000758301 [0,1,0,1,0,0|2,0,0]=4 12529 B11R1.22 CCC(C)N1CCC(CC1)O 269982a_100025773856_100000758301 [0,1,0,1,0,0|2,0,0]=4 12530 B11R1.22 CCC(O)C1CCN(CC1)C 2230a_100011935121_200000210301 [0,1,0,1,0,0|2,0,0]=4 12531 B11R1.22 CCC(O)C1CCN(CC1)C 269982a_100011935121_200000210301 [0,1,0,1,0,0|2,0,0]=4 12532 B11R1.22 CCC(O)C1CCN(CC1)C 34a_100011935121_200000210301 [0,1,0,1,0,0|2,0,0]=4 12533 B11R1.22 CCC(O)C1CCN(CC1)[13CH3] 2230a_100011935121_200025704644 [0,1,0,1,0,0|2,0,0]=4 12534 B11R1.22 CCC(O)C1CCN(CC1)[13CH3] 269982a_100011935121_200025704644 [0,1,0,1,0,0|2,0,0]=4 12535 B11R1.22 CCC(O)C1CCN(CC1)[13CH3] 34a_100011935121_200025704644 [0,1,0,1,0,0|2,0,0]=4 12536 B11R1.22 CCN(C)[C@H]1CC[C@H](CC1)O 2230a_100020636401_100000210202 [0,1,0,1,0,0|2,0,0]=4 12537 B11R1.22 CCN(C)[C@H]1CC[C@H](CC1)O 269982a_100020636401_100000204670 [0,1,0,1,0,0|2,0,0]=4 12538 B11R1.22 C[C@H](CO)N1CCC(CC1)F 269982a_100015193889_100016084084 [0,1,0,1,0,0|2,0,0]=4 12539 B11R1.22 C[C@H](CO)N1CCC(CC1)O 269982a_100025773856_100016084084 [0,1,0,1,0,0|2,0,0]=4 12540 B11R1.44 CCC(C)N1CCC(C1)CO 2230a_100000748654_100000758301 [0,1,0,1,0,0|2,0,0]=4 12541 B11R1.44 CCC(C)N1CCC(C1)CO 269982a_100000748654_100000758301 [0,1,0,1,0,0|2,0,0]=4 12542 B11R1.44 CCC(C)N1CCC(C1)CO 34a_100000748654_100011215416 [0,1,0,1,0,0|2,0,0]=4 12543 B11R1.223 O=C1CCC1SCC(O)CO 62a_100009892977_100011219619 [0,1,0,1,0,0|1,0,1]=4 12544 B11R1.223 O=C1CCC1SCC(O)CO 62a_100011219619_100009892977 [0,1,0,1,0,0|1,0,1]=4 12545 B11R1.223 O=C1CCC1SC[C@@H](O)CO 62a_100009815848_100009892977 [0,1,0,1,0,0|1,0,1]=4 12546 B11R1.223 O=C1CCC1SC[C@@H](O)CO 62a_100009892977_100009815848 [0,1,0,1,0,0|1,0,1]=4 12547 B11R1.236 C=CC(O)CNCC1CCC1 2230a_100000738700_100000730141 [0,1,0,1,0,0|1,0,1]=4 12548 B11R1.236 C=CC(O)CNCC1CCC1 34a_100000738700_100000730141 [0,1,0,1,0,0|1,0,1]=4 12549 B11R1.236 C=CC(O)COCC1CCC1 34a_100000760304_100000730141 [0,1,0,1,0,0|1,0,1]=4 12550 B11R1.236 C=CC(O)CSCC1CCC1 62a_100000730141_100000763275 [0,1,0,1,0,0|1,0,1]=4 12551 B11R1.236 C=CC(O)CSCC1CCC1 62a_100000763275_100000730141 [0,1,0,1,0,0|1,0,1]=4 12552 B11R1.236 CC(CN)COCC1CCC1 34a_100000744482_100000763275 [0,1,0,1,0,0|2,0,0]=4 12553 B11R1.236 CC(CO)CCNC1CCC1 270004a_106354213184_100000241760 [0,1,0,1,0,0|1,0,0]=3 12554 B11R1.236 CC(CO)CCNC1CCC1 34a_106354213184_100000749161 [0,1,0,1,0,0|1,0,0]=3 12555 B11R1.236 CC(CO)CCNC1COC1 34a_106354213184_100009818527 [0,1,0,1,0,0|2,0,0]=4 12556 B11R1.236 CC(CO)CNCC1CCC1 269862a_100000744482_100000753134 [0,1,0,1,0,0|1,0,0]=3 12557 B11R1.236 CC(CO)CNCC1CCC1 34a_100000744482_100000763275 [0,1,0,1,0,0|1,0,0]=3 12558 B11R1.236 CC(CO)CNCC1CCO1 34a_100000744482_100000103362 [0,1,0,1,0,0|2,0,0]=4 12559 B11R1.236 CC(CO)CNCC1COC1 34a_100000744482_100010264016 [0,1,0,1,0,0|2,0,0]=4 12560 B11R1.236 CC(CO)OCCC1COC1 34a_100009855314_100012180447 [0,1,0,1,0,0|2,0,0]=4 12561 B11R1.236 CCC(C)CCNC1CCC1 270004a_100020591266_100000241760 [0,1,0,1,0,0|2,0,0]=4 12562 B11R1.236 CCC(C)CCOC1COC1 7a_100011215188_100009818527 [0,1,0,1,0,0|2,0,0]=4 12563 B11R1.236 CCC(C)CNCC1CCC1 2230a_100000738700_100000748023 [0,1,0,1,0,0|2,0,0]=4 12564 B11R1.236 CCC(C)CNCC1CCC1 2230a_100020588543_100000763275 [0,1,0,1,0,0|2,0,0]=4 12565 B11R1.236 CCC(C)CNCC1CCC1 269862a_100020588543_100000753134 [0,1,0,1,0,0|2,0,0]=4 12566 B11R1.236 CCC(C)CNCC1CCC1 270004a_100000738700_100000243153 [0,1,0,1,0,0|2,0,0]=4 12567 B11R1.236 CCC(C)CNCC1CCC1 34a_100000738700_100000748023 [0,1,0,1,0,0|2,0,0]=4 12568 B11R1.236 CCC(C)CNCC1CCO1 2230a_100020588543_100000103362 [0,1,0,1,0,0|2,0,0]=4 12569 B11R1.236 CCC(C)CNCC1COC1 2230a_100015281925_100000748023 [0,1,0,1,0,0|2,0,0]=4 12570 B11R1.236 CCC(C)CNCC1COC1 2230a_100020588543_100010264016 [0,1,0,1,0,0|2,0,0]=4 12571 B11R1.236 CCC(C)CNCC1COC1 270004a_100015281925_100000243153 [0,1,0,1,0,0|2,0,0]=4 12572 B11R1.236 CCC(C)CNCC1COC1 34a_100015281925_100000748023 [0,1,0,1,0,0|2,0,0]=4 12573 B11R1.236 CCC(C)CNC[C@@H]1CCO1 2230a_100020831831_100000748023 [0,1,0,1,0,0|2,0,0]=4 12574 B11R1.236 CCC(C)CNC[C@@H]1CCO1 270004a_100020831831_100000243153 [0,1,0,1,0,0|2,0,0]=4 12575 B11R1.236 CCC(C)CNC[C@@H]1CCO1 34a_100020831831_100000748023 [0,1,0,1,0,0|2,0,0]=4 12576 B11R1.236 CCC(C)COCC1CCC1 34a_100000760304_100000748023 [0,1,0,1,0,0|2,0,0]=4 12577 B11R1.236 CCC(C)COCC1CCO1 34a_100000039022_100000748023 [0,1,0,1,0,0|2,0,0]=4 12578 B11R1.236 CCC(C)COCC1COC1 34a_100000060846_100000748023 [0,1,0,1,0,0|2,0,0]=4 12579 B11R1.236 CCC(C)CSCC1CCC1 62a_100000748023_100000763275 [0,1,0,1,0,0|2,0,0]=4 12580 B11R1.236 CCC(C)CSCC1CCC1 62a_100000763275_100000748023 [0,1,0,1,0,0|2,0,0]=4 12581 B11R1.236 CCC(C)CSCC1CCO1 62a_100000103362_100000748023 [0,1,0,1,0,0|2,0,0]=4 12582 B11R1.236 CCC(C)CSCC1CCO1 62a_100000748023_100000103362 [0,1,0,1,0,0|2,0,0]=4 12583 B11R1.236 CCC(C)CSCC1COC1 62a_100000748023_100010264016 [0,1,0,1,0,0|2,0,0]=4 12584 B11R1.236 CCC(C)CSCC1COC1 62a_100010264016_100000748023 [0,1,0,1,0,0|2,0,0]=4 12585 B11R1.236 CCC(C)OCCC1COC1 34a_100009855314_100011215416 [0,1,0,1,0,0|2,0,0]=4 12586 B11R1.236 CCC(O)CNCC1CCC1 2230a_100000738700_100011218378 [0,1,0,1,0,0|1,0,0]=3 12587 B11R1.236 CCC(O)CNCC1CCC1 2230a_100011218483_100000763275 [0,1,0,1,0,0|1,0,0]=3 12588 B11R1.236 CCC(O)CNCC1CCC1 269862a_100011218483_100000753134 [0,1,0,1,0,0|1,0,0]=3 12589 B11R1.236 CCC(O)CNCC1CCC1 34a_100000738700_100011218378 [0,1,0,1,0,0|1,0,0]=3 12590 B11R1.236 CCC(O)CNCC1CCO1 2230a_100011218483_100000103362 [0,1,0,1,0,0|2,0,0]=4 12591 B11R1.236 CCC(O)CNCC1COC1 2230a_100011218483_100010264016 [0,1,0,1,0,0|2,0,0]=4 12592 B11R1.236 CCC(O)CNCC1COC1 2230a_100015281925_100011218378 [0,1,0,1,0,0|2,0,0]=4 12593 B11R1.236 CCC(O)CNCC1COC1 34a_100015281925_100011218378 [0,1,0,1,0,0|2,0,0]=4 12594 B11R1.236 CCC(O)CNC[C@@H]1CCO1 2230a_100020831831_100011218378 [0,1,0,1,0,0|2,0,0]=4 12595 B11R1.236 CCC(O)CNC[C@@H]1CCO1 34a_100020831831_100011218378 [0,1,0,1,0,0|2,0,0]=4 12596 B11R1.236 CCC(O)COCC1CCC1 34a_100000760304_100011218378 [0,1,0,1,0,0|1,0,0]=3 12597 B11R1.236 CCC(O)COCC1CCO1 34a_100000039022_100011218378 [0,1,0,1,0,0|2,0,0]=4 12598 B11R1.236 CCC(O)COCC1CNC1 34a_100016987283_100011218378 [0,1,0,1,0,0|2,0,0]=4 12599 B11R1.236 CCC(O)COCC1COC1 34a_100000060846_100011218378 [0,1,0,1,0,0|2,0,0]=4 12600 B11R1.236 CCC(O)CSCC1CCC1 62a_100000763275_100011218378 [0,1,0,1,0,0|1,0,0]=3 12601 B11R1.236 CCC(O)CSCC1CCC1 62a_100011218378_100000763275 [0,1,0,1,0,0|1,0,0]=3 12602 B11R1.236 CCC(O)CSCC1CCO1 62a_100000103362_100011218378 [0,1,0,1,0,0|2,0,0]=4 12603 B11R1.236 CCC(O)CSCC1CCO1 62a_100011218378_100000103362 [0,1,0,1,0,0|2,0,0]=4 12604 B11R1.236 CCC(O)CSCC1COC1 62a_100010264016_100011218378 [0,1,0,1,0,0|2,0,0]=4 12605 B11R1.236 CCC(O)CSCC1COC1 62a_100011218378_100010264016 [0,1,0,1,0,0|2,0,0]=4 12606 B11R1.236 CC[C@H](C)CNCC1CCC1 2230a_100000738700_100009816398 [0,1,0,1,0,0|2,0,0]=4 12607 B11R1.236 CC[C@H](C)CNCC1CCC1 34a_100000738700_100009816398 [0,1,0,1,0,0|2,0,0]=4 12608 B11R1.236 CC[C@H](C)CNCC1COC1 2230a_100015281925_100009816398 [0,1,0,1,0,0|2,0,0]=4 12609 B11R1.236 CC[C@H](C)CNCC1COC1 34a_100015281925_100009816398 [0,1,0,1,0,0|2,0,0]=4 12610 B11R1.236 CC[C@H](C)CNC[C@@H]1CCO1 2230a_100020831831_100009816398 [0,1,0,1,0,0|2,0,0]=4 12611 B11R1.236 CC[C@H](C)CNC[C@@H]1CCO1 34a_100020831831_100009816398 [0,1,0,1,0,0|2,0,0]=4 12612 B11R1.236 CC[C@H](C)COCC1CCC1 34a_100000760304_100009816398 [0,1,0,1,0,0|2,0,0]=4 12613 B11R1.236 CC[C@H](C)COCC1CCC1 7a_100009816381_100000763275 [0,1,0,1,0,0|2,0,0]=4 12614 B11R1.236 CC[C@H](C)COCC1CCO1 34a_100000039022_100009816398 [0,1,0,1,0,0|2,0,0]=4 12615 B11R1.236 CC[C@H](C)COCC1CCO1 7a_100009816381_100000103362 [0,1,0,1,0,0|2,0,0]=4 12616 B11R1.236 CC[C@H](C)COCC1COC1 34a_100000060846_100009816398 [0,1,0,1,0,0|2,0,0]=4 12617 B11R1.236 CC[C@H](C)COCC1COC1 7a_100009816381_100010264016 [0,1,0,1,0,0|2,0,0]=4 12618 B11R1.236 CC[C@H](C)CSCC1CCC1 62a_100000763275_100009816398 [0,1,0,1,0,0|2,0,0]=4 12619 B11R1.236 CC[C@H](C)CSCC1CCC1 62a_100009816398_100000763275 [0,1,0,1,0,0|2,0,0]=4 12620 B11R1.236 CC[C@H](C)CSCC1CCO1 62a_100000103362_100009816398 [0,1,0,1,0,0|2,0,0]=4 12621 B11R1.236 CC[C@H](C)CSCC1CCO1 62a_100009816398_100000103362 [0,1,0,1,0,0|2,0,0]=4 12622 B11R1.236 CC[C@H](C)CSCC1COC1 62a_100009816398_100010264016 [0,1,0,1,0,0|2,0,0]=4 12623 B11R1.236 CC[C@H](C)CSCC1COC1 62a_100010264016_100009816398 [0,1,0,1,0,0|2,0,0]=4 12624 B11R1.236 C[C@@H](CO)CNCC1CCC1 2230a_100000738700_100000059175 [0,1,0,1,0,0|1,0,0]=3 12625 B11R1.236 C[C@@H](CO)CNCC1CCC1 34a_100000738700_100000059175 [0,1,0,1,0,0|1,0,0]=3 12626 B11R1.236 C[C@@H](CO)CNCC1COC1 2230a_100015281925_100000059175 [0,1,0,1,0,0|2,0,0]=4 12627 B11R1.236 C[C@@H](CO)CNCC1COC1 34a_100015281925_100000059175 [0,1,0,1,0,0|2,0,0]=4 12628 B11R1.236 C[C@@H](CO)CNC[C@@H]1CCO1 2230a_100020831831_100000059175 [0,1,0,1,0,0|2,0,0]=4 12629 B11R1.236 C[C@@H](CO)CNC[C@@H]1CCO1 34a_100020831831_100000059175 [0,1,0,1,0,0|2,0,0]=4 12630 B11R1.236 C[C@@H](CO)COCC1CCC1 34a_100000760304_100000059175 [0,1,0,1,0,0|1,0,0]=3 12631 B11R1.236 C[C@@H](CO)COCC1CCO1 34a_100000039022_100000059175 [0,1,0,1,0,0|2,0,0]=4 12632 B11R1.236 C[C@@H](CO)COCC1CNC1 34a_100016987283_100000059175 [0,1,0,1,0,0|2,0,0]=4 12633 B11R1.236 C[C@@H](CO)COCC1COC1 34a_100000060846_100000059175 [0,1,0,1,0,0|2,0,0]=4 12634 B11R1.236 C[C@@H](CO)CSCC1CCC1 62a_100000059175_100000763275 [0,1,0,1,0,0|1,0,0]=3 12635 B11R1.236 C[C@@H](CO)CSCC1CCC1 62a_100000763275_100000059175 [0,1,0,1,0,0|1,0,0]=3 12636 B11R1.236 C[C@@H](CO)CSCC1CCO1 62a_100000059175_100000103362 [0,1,0,1,0,0|2,0,0]=4 12637 B11R1.236 C[C@@H](CO)CSCC1CCO1 62a_100000103362_100000059175 [0,1,0,1,0,0|2,0,0]=4 12638 B11R1.236 C[C@@H](CO)CSCC1COC1 62a_100000059175_100010264016 [0,1,0,1,0,0|2,0,0]=4 12639 B11R1.236 C[C@@H](CO)CSCC1COC1 62a_100010264016_100000059175 [0,1,0,1,0,0|2,0,0]=4 12640 B11R1.236 ClCC(Cl)COCC1CCC1 34a_100000033668_100000763275 [0,1,0,1,0,0|2,0,0]=4 12641 B11R1.236 NC[C@@H](F)COCC1CCC1 34a_100015665980_100000763275 [0,1,0,1,0,0|2,0,0]=4 12642 B11R1.236 OCC(O)C=NNC1CCC1 4a_100000736358_100000033539 [0,1,0,1,0,0|1,0,1]=4 12643 B11R1.236 OCC(O)CNCC1CCC1 2230a_100000738700_100011219619 [0,1,0,1,0,0|0,0,0]=2 12644 B11R1.236 OCC(O)CNCC1CCC1 34a_100000738700_100011219619 [0,1,0,1,0,0|0,0,0]=2 12645 B11R1.236 OCC(O)CNCC1COC1 2230a_100015281925_100011219619 [0,1,0,1,0,0|1,0,0]=3 12646 B11R1.236 OCC(O)CNCC1COC1 34a_100015281925_100011219619 [0,1,0,1,0,0|1,0,0]=3 12647 B11R1.236 OCC(O)CNC[C@@H]1CCO1 2230a_100020831831_100011219619 [0,1,0,1,0,0|1,0,0]=3 12648 B11R1.236 OCC(O)CNC[C@@H]1CCO1 34a_100020831831_100011219619 [0,1,0,1,0,0|1,0,0]=3 12649 B11R1.236 OCC(O)COCC1CCC1 34a_100000760304_100011219619 [0,1,0,1,0,0|0,0,0]=2 12650 B11R1.236 OCC(O)COCC1CCO1 34a_100000039022_100011219619 [0,1,0,1,0,0|1,0,0]=3 12651 B11R1.236 OCC(O)COCC1CNC1 34a_100016987283_100011219619 [0,1,0,1,0,0|1,0,0]=3 12652 B11R1.236 OCC(O)COCC1COC1 34a_100000060846_100011219619 [0,1,0,1,0,0|1,0,0]=3 12653 B11R1.236 OCC(O)CSCC1CCC1 62a_100000763275_100011219619 [0,1,0,1,0,0|0,0,0]=2 12654 B11R1.236 OCC(O)CSCC1CCC1 62a_100011219619_100000763275 [0,1,0,1,0,0|0,0,0]=2 12655 B11R1.236 OCC(O)CSCC1CCO1 62a_100000103362_100011219619 [0,1,0,1,0,0|1,0,0]=3 12656 B11R1.236 OCC(O)CSCC1CCO1 62a_100011219619_100000103362 [0,1,0,1,0,0|1,0,0]=3 12657 B11R1.236 OCC(O)CSCC1COC1 62a_100010264016_100011219619 [0,1,0,1,0,0|1,0,0]=3 12658 B11R1.236 OCC(O)CSCC1COC1 62a_100011219619_100010264016 [0,1,0,1,0,0|1,0,0]=3 12659 B11R1.236 OC[C@@H](O)CNCC1CCC1 2230a_100020644852_100000763275 [0,1,0,1,0,0|0,0,0]=2 12660 B11R1.236 OC[C@@H](O)CNCC1CCC1 269862a_100020644852_100000753134 [0,1,0,1,0,0|0,0,0]=2 12661 B11R1.236 OC[C@@H](O)CNCC1CCO1 2230a_100020644852_100000103362 [0,1,0,1,0,0|1,0,0]=3 12662 B11R1.236 OC[C@@H](O)CNCC1COC1 2230a_100020644852_100010264016 [0,1,0,1,0,0|1,0,0]=3 12663 B11R1.236 OC[C@H](F)CNCC1CCC1 269862a_100015665980_100000753134 [0,1,0,1,0,0|1,0,0]=3 12664 B11R1.236 OC[C@H](F)CNCC1CCC1 34a_100015665980_100000763275 [0,1,0,1,0,0|1,0,0]=3 12665 B11R1.236 OC[C@H](F)CNCC1CCO1 34a_100015665980_100000103362 [0,1,0,1,0,0|2,0,0]=4 12666 B11R1.236 OC[C@H](F)CNCC1COC1 34a_100015665980_100010264016 [0,1,0,1,0,0|2,0,0]=4 12667 B11R1.236 OC[C@H](O)CNCC1CCC1 2230a_100000738700_100009815848 [0,1,0,1,0,0|0,0,0]=2 12668 B11R1.236 OC[C@H](O)CNCC1CCC1 34a_100000738700_100009815848 [0,1,0,1,0,0|0,0,0]=2 12669 B11R1.236 OC[C@H](O)CNCC1COC1 2230a_100015281925_100009815848 [0,1,0,1,0,0|1,0,0]=3 12670 B11R1.236 OC[C@H](O)CNCC1COC1 34a_100015281925_100009815848 [0,1,0,1,0,0|1,0,0]=3 12671 B11R1.236 OC[C@H](O)CNC[C@@H]1CCO1 2230a_100020831831_100009815848 [0,1,0,1,0,0|1,0,0]=3 12672 B11R1.236 OC[C@H](O)CNC[C@@H]1CCO1 34a_100020831831_100009815848 [0,1,0,1,0,0|1,0,0]=3 12673 B11R1.236 OC[C@H](O)COCC1CCC1 34a_100000760304_100009815848 [0,1,0,1,0,0|0,0,0]=2 12674 B11R1.236 OC[C@H](O)COCC1CCO1 34a_100000039022_100009815848 [0,1,0,1,0,0|1,0,0]=3 12675 B11R1.236 OC[C@H](O)COCC1CNC1 34a_100016987283_100009815848 [0,1,0,1,0,0|1,0,0]=3 12676 B11R1.236 OC[C@H](O)COCC1COC1 34a_100000060846_100009815848 [0,1,0,1,0,0|1,0,0]=3 12677 B11R1.236 OC[C@H](O)CSCC1CCC1 62a_100000763275_100009815848 [0,1,0,1,0,0|0,0,0]=2 12678 B11R1.236 OC[C@H](O)CSCC1CCC1 62a_100009815848_100000763275 [0,1,0,1,0,0|0,0,0]=2 12679 B11R1.236 OC[C@H](O)CSCC1CCO1 62a_100000103362_100009815848 [0,1,0,1,0,0|1,0,0]=3 12680 B11R1.236 OC[C@H](O)CSCC1CCO1 62a_100009815848_100000103362 [0,1,0,1,0,0|1,0,0]=3 12681 B11R1.236 OC[C@H](O)CSCC1COC1 62a_100009815848_100010264016 [0,1,0,1,0,0|1,0,0]=3 12682 B11R1.236 OC[C@H](O)CSCC1COC1 62a_100010264016_100009815848 [0,1,0,1,0,0|1,0,0]=3 12683 B11R1.236 O[C@@H](CF)CNCC1CCC1 2230a_100000738700_100015614560 [0,1,0,1,0,0|1,0,0]=3 12684 B11R1.236 O[C@@H](CF)CNCC1CCC1 34a_100000738700_100015614560 [0,1,0,1,0,0|1,0,0]=3 12685 B11R1.236 O[C@@H](CF)CNCC1COC1 2230a_100015281925_100015614560 [0,1,0,1,0,0|2,0,0]=4 12686 B11R1.236 O[C@@H](CF)CNCC1COC1 34a_100015281925_100015614560 [0,1,0,1,0,0|2,0,0]=4 12687 B11R1.236 O[C@@H](CF)CNC[C@@H]1CCO1 2230a_100020831831_100015614560 [0,1,0,1,0,0|2,0,0]=4 12688 B11R1.236 O[C@@H](CF)CNC[C@@H]1CCO1 34a_100020831831_100015614560 [0,1,0,1,0,0|2,0,0]=4 12689 B11R1.236 O[C@@H](CF)COCC1CCC1 34a_100000760304_100015614560 [0,1,0,1,0,0|1,0,0]=3 12690 B11R1.236 O[C@@H](CF)COCC1CCO1 34a_100000039022_100015614560 [0,1,0,1,0,0|2,0,0]=4 12691 B11R1.236 O[C@@H](CF)COCC1CNC1 34a_100016987283_100015614560 [0,1,0,1,0,0|2,0,0]=4 12692 B11R1.236 O[C@@H](CF)COCC1COC1 34a_100000060846_100015614560 [0,1,0,1,0,0|2,0,0]=4 12693 B11R1.236 O[C@@H](CF)CSCC1CCC1 62a_100000763275_100015614560 [0,1,0,1,0,0|1,0,0]=3 12694 B11R1.236 O[C@@H](CF)CSCC1CCC1 62a_100015614560_100000763275 [0,1,0,1,0,0|1,0,0]=3 12695 B11R1.236 O[C@@H](CF)CSCC1CCO1 62a_100000103362_100015614560 [0,1,0,1,0,0|2,0,0]=4 12696 B11R1.236 O[C@@H](CF)CSCC1CCO1 62a_100015614560_100000103362 [0,1,0,1,0,0|2,0,0]=4 12697 B11R1.236 O[C@@H](CF)CSCC1COC1 62a_100010264016_100015614560 [0,1,0,1,0,0|2,0,0]=4 12698 B11R1.236 O[C@@H](CF)CSCC1COC1 62a_100015614560_100010264016 [0,1,0,1,0,0|2,0,0]=4 12699 B11R1.896 CCC(C)CN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000748023 [0,1,0,1,0,0|2,0,0]=4 12700 B11R1.896 CCC(C)CN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000748023 [0,1,0,1,0,0|2,0,0]=4 12701 B11R1.896 CCC(C)CN1C[C@@H]([C@@H]1C)O 270004a_206633788156_100000243153 [0,1,0,1,0,0|2,0,0]=4 12702 B11R1.896 CCC(O)CN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100011218378 [0,1,0,1,0,0|2,0,0]=4 12703 B11R1.896 CCC(O)CN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100011218378 [0,1,0,1,0,0|2,0,0]=4 12704 B11R1.896 CC[C@H](C)CN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100009816398 [0,1,0,1,0,0|2,0,0]=4 12705 B11R1.896 CC[C@H](C)CN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100009816398 [0,1,0,1,0,0|2,0,0]=4 12706 B11R1.896 C[C@@H](CO)CN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000059175 [0,1,0,1,0,0|2,0,0]=4 12707 B11R1.896 C[C@@H](CO)CN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000059175 [0,1,0,1,0,0|2,0,0]=4 12708 B11R1.896 C[C@H]1[C@H](CN1CC(O)CO)O 2230a_206633788156_100011219619 [0,1,0,1,0,0|1,0,0]=3 12709 B11R1.896 C[C@H]1[C@H](CN1C[C@@H](O)CF)O 2230a_206633788156_100015614560 [0,1,0,1,0,0|2,0,0]=4 12710 B11R1.896 C[C@H]1[C@H](CN1C[C@@H](O)CO)O 2230a_206633788156_100009815848 [0,1,0,1,0,0|1,0,0]=3 12711 B11R1.1029 CC1(CC1)CNCC(O)CO 2230a_100000766693_100011219619 [0,1,0,1,0,0|1,0,0]=3 12712 B11R1.1029 CC1(CC1)CNC[C@@H](O)CF 2230a_100000766693_100015614560 [0,1,0,1,0,0|2,0,0]=4 12713 B11R1.1029 CC1(CC1)CNC[C@@H](O)CO 2230a_100000766693_100009815848 [0,1,0,1,0,0|1,0,0]=3 12714 B11R1.1029 CC1(CC1)COCC(O)CO 7a_100000698024_100011219619 [0,1,0,1,0,0|1,0,0]=3 12715 B11R1.1029 CC1(CC1)COC[C@@H](O)CF 7a_100000698024_100015614560 [0,1,0,1,0,0|2,0,0]=4 12716 B11R1.1029 CC1(CC1)COC[C@@H](O)CO 7a_100000698024_100009815848 [0,1,0,1,0,0|1,0,0]=3 12717 B11R1.1029 CC1(CO1)CSCC(O)CO 62a_100000760498_100011219619 [0,1,0,1,0,0|2,0,0]=4 12718 B11R1.1029 CC1(CO1)CSCC(O)CO 62a_100011219619_100000760498 [0,1,0,1,0,0|2,0,0]=4 12719 B11R1.1029 CC1(CO1)CSC[C@@H](O)CO 62a_100000760498_100009815848 [0,1,0,1,0,0|2,0,0]=4 12720 B11R1.1029 CC1(CO1)CSC[C@@H](O)CO 62a_100009815848_100000760498 [0,1,0,1,0,0|2,0,0]=4 12721 B11R1.1029 CCC(C)CNCC1(CC1)O 2230a_100011936951_100000748023 [0,1,0,1,0,0|2,0,0]=4 12722 B11R1.1029 CCC(C)CNCC1(CC1)O 270004a_100011936951_100000243153 [0,1,0,1,0,0|2,0,0]=4 12723 B11R1.1029 CCC(C)CSCC1(CO1)C 62a_100000748023_100000760498 [0,1,0,1,0,0|2,0,0]=4 12724 B11R1.1029 CCC(C)CSCC1(CO1)C 62a_100000760498_100000748023 [0,1,0,1,0,0|2,0,0]=4 12725 B11R1.1029 CCC(O)CNCC1(CC1)C 2230a_100000766693_100011218378 [0,1,0,1,0,0|2,0,0]=4 12726 B11R1.1029 CCC(O)CNCC1(CC1)O 2230a_100011936951_100011218378 [0,1,0,1,0,0|2,0,0]=4 12727 B11R1.1029 CCC(O)COCC1(CC1)C 7a_100000698024_100011218378 [0,1,0,1,0,0|2,0,0]=4 12728 B11R1.1029 CCC(O)COCC1(CC1)F 34a_200000703853_100011218378 [0,1,0,1,0,0|2,0,0]=4 12729 B11R1.1029 CCC(O)COCC1(CC1)F 7a_200000703853_100011218378 [0,1,0,1,0,0|2,0,0]=4 12730 B11R1.1029 CCC(O)CSCC1(CO1)C 62a_100000760498_100011218378 [0,1,0,1,0,0|2,0,0]=4 12731 B11R1.1029 CCC(O)CSCC1(CO1)C 62a_100011218378_100000760498 [0,1,0,1,0,0|2,0,0]=4 12732 B11R1.1029 CC[C@H](C)CNCC1(CC1)O 2230a_100011936951_100009816398 [0,1,0,1,0,0|2,0,0]=4 12733 B11R1.1029 CC[C@H](C)CSCC1(CO1)C 62a_100000760498_100009816398 [0,1,0,1,0,0|2,0,0]=4 12734 B11R1.1029 CC[C@H](C)CSCC1(CO1)C 62a_100009816398_100000760498 [0,1,0,1,0,0|2,0,0]=4 12735 B11R1.1029 C[C@@H](CO)CNCC1(CC1)C 2230a_100000766693_100000059175 [0,1,0,1,0,0|2,0,0]=4 12736 B11R1.1029 C[C@@H](CO)CNCC1(CC1)O 2230a_100011936951_100000059175 [0,1,0,1,0,0|2,0,0]=4 12737 B11R1.1029 C[C@@H](CO)COCC1(CC1)C 7a_100000698024_100000059175 [0,1,0,1,0,0|2,0,0]=4 12738 B11R1.1029 C[C@@H](CO)COCC1(CC1)F 34a_200000703853_100000059175 [0,1,0,1,0,0|2,0,0]=4 12739 B11R1.1029 C[C@@H](CO)COCC1(CC1)F 7a_200000703853_100000059175 [0,1,0,1,0,0|2,0,0]=4 12740 B11R1.1029 OCC(O)CNCC1(CC1)O 2230a_100011936951_100011219619 [0,1,0,1,0,0|1,0,0]=3 12741 B11R1.1029 OCC(O)COCC1(CC1)F 34a_200000703853_100011219619 [0,1,0,1,0,0|1,0,0]=3 12742 B11R1.1029 OCC(O)COCC1(CC1)F 7a_200000703853_100011219619 [0,1,0,1,0,0|1,0,0]=3 12743 B11R1.1029 OC[C@H](O)CNCC1(CC1)O 2230a_100011936951_100009815848 [0,1,0,1,0,0|1,0,0]=3 12744 B11R1.1029 OC[C@H](O)COCC1(CC1)F 34a_200000703853_100009815848 [0,1,0,1,0,0|1,0,0]=3 12745 B11R1.1029 OC[C@H](O)COCC1(CC1)F 7a_200000703853_100009815848 [0,1,0,1,0,0|1,0,0]=3 12746 B11R1.1029 O[C@@H](CF)CNCC1(CC1)O 2230a_100011936951_100015614560 [0,1,0,1,0,0|2,0,0]=4 12747 B11R1.1029 O[C@@H](CF)COCC1(CC1)F 34a_200000703853_100015614560 [0,1,0,1,0,0|2,0,0]=4 12748 B11R1.1029 O[C@@H](CF)COCC1(CC1)F 7a_200000703853_100015614560 [0,1,0,1,0,0|2,0,0]=4 12749 B11R1.1217 CN1CCCC(CC1)(O)CO 2230a_200015185645_200000210301 [0,1,0,1,0,0|1,0,0]=3 12750 B11R1.1217 CN1CCCC(CC1)(O)CO 269982a_200015185645_200000210301 [0,1,0,1,0,0|1,0,0]=3 12751 B11R1.1217 [13CH3]N1CCCC(CC1)(O)CO 2230a_200015185645_200025704644 [0,1,0,1,0,0|1,0,0]=3 12752 B11R1.1217 [13CH3]N1CCCC(CC1)(O)CO 269982a_200015185645_200025704644 [0,1,0,1,0,0|1,0,0]=3 12753 B11R1.82 CCCN1CCC(CC1)(C)O 2230a_100000690209_100000210303 [0,1,0,1,0,0|2,0,0]=4 12754 B11R1.82 CCCN1CCC(CC1)(C)O 269982a_100000690209_100000210303 [0,1,0,1,0,0|2,0,0]=4 12755 B11R1.82 CCCN1CCC(CC1)(O)O 269982a_100016987284_100000210303 [0,1,0,1,0,0|2,0,0]=4 12756 B11R1.82 CCNC1CCC(CC1)(C)O 270004a_100015525214_100012184276 [0,1,0,1,0,0|2,0,0]=4 12757 B11R1.82 CCN[C@H]1CC[C@](CC1)(C)O 2230a_202125554758_100000210202 [0,1,0,1,0,0|2,0,0]=4 12758 B11R1.82 CCN[C@H]1CC[C@](CC1)(C)O 34a_202125554758_100000210202 [0,1,0,1,0,0|2,0,0]=4 12759 B11R1.136 CC(C)(CO)NC1CCCC1 2230a_100000210608_100000179811 [0,1,0,1,0,0|2,0,0]=4 12760 B11R1.136 CC(C)(CO)NC1CCCC1 270004a_100000210608_100000210133 [0,1,0,1,0,0|2,0,0]=4 12761 B11R1.136 OCC(F)(F)SC1CCCC1 62a_100011217020_100011217949 [0,1,0,1,0,0|2,0,0]=4 12762 B11R1.136 OCC(F)(F)SC1CCCC1 62a_100011217949_100000179811 [0,1,0,1,0,0|2,0,0]=4 12763 B11R1.139 CC(C)(CO)CNC1CCC1 270004a_100020635058_100000241760 [0,1,0,1,0,0|2,0,0]=4 12764 B11R1.139 CC(C)(CO)CNC1CCC1 34a_100000749019_100009813988 [0,1,0,1,0,0|2,0,0]=4 12765 B11R1.139 CC(C)(CO)COC1CCC1 34a_100000748187_100009813988 [0,1,0,1,0,0|2,0,0]=4 12766 B11R1.139 CC(C)(CO)CSC1CCC1 62a_100009813988_100000749161 [0,1,0,1,0,0|2,0,0]=4 12767 B11R1.139 CC(C)(CO)NCC1CCC1 2230a_100000210608_100000763275 [0,1,0,1,0,0|2,0,0]=4 12768 B11R1.139 OCC(F)(F)SCC1CCC1 62a_100000763275_100011217949 [0,1,0,1,0,0|2,0,0]=4 12769 B11R1.139 OCC(F)(F)SCC1CCC1 62a_100011217949_100000763275 [0,1,0,1,0,0|2,0,0]=4 12770 B11R1.140 CC(C)(CO)CNCC1CC1 2230a_100020635058_100000742324 [0,1,0,1,0,0|2,0,0]=4 12771 B11R1.140 CC(C)(CO)CNCC1CC1 269862a_100020635058_100000741477 [0,1,0,1,0,0|2,0,0]=4 12772 B11R1.140 CC(C)(CO)CNCC1CC1 34a_100000735609_100009813988 [0,1,0,1,0,0|2,0,0]=4 12773 B11R1.140 CC(C)(CO)COCC1CC1 34a_100000211283_100009813988 [0,1,0,1,0,0|2,0,0]=4 12774 B11R1.140 CC(C)(CO)CSCC1CC1 62a_100000756562_100009813988 [0,1,0,1,0,0|2,0,0]=4 12775 B11R1.140 CC(C)(CO)CSCC1CC1 62a_100009813988_100000742324 [0,1,0,1,0,0|2,0,0]=4 12776 B11R1.140 CC(C)(CO)NCCC1CC1 2230a_100000210608_100000694398 [0,1,0,1,0,0|2,0,0]=4 12777 B11R1.140 OCC(F)(F)SCCC1CC1 62a_100000764125_100011217949 [0,1,0,1,0,0|2,0,0]=4 12778 B11R1.140 OCC(F)(F)SCCC1CC1 62a_100011217949_100000764125 [0,1,0,1,0,0|2,0,0]=4 12779 B11R1.213 CCCCN1CCC(C1)(C)O 2230a_100000718628_100000210211 [0,1,0,1,0,0|2,0,0]=4 12780 B11R1.213 CCCCN1CCC(C1)(C)O 269982a_100000718628_100000210211 [0,1,0,1,0,0|2,0,0]=4 12781 B11R1.620 CC1CCN1CC(C)(C)CO 34a_100000755817_100009813988 [0,1,0,1,0,0|2,0,0]=4 12782 B11R1.950 CCN1CCCC(CC1)(C)O 2230a_100000723723_100000210202 [0,1,0,1,0,0|2,0,0]=4 12783 B11R1.950 CCN1CCCC(CC1)(C)O 269982a_100000723723_100000204670 [0,1,0,1,0,0|2,0,0]=4 12784 B11R1.950 CCN1CCCC(CC1)(C)O 34a_100000723723_100000210202 [0,1,0,1,0,0|2,0,0]=4 12785 B11R1.1 CCCCN1CCC(CC1)C 2230a_100000188429_100000210211 [0,1,0,1,0,0|2,0,0]=4 12786 B11R1.1 CCCCN1CCC(CC1)C 269982a_100000188429_100000210211 [0,1,0,1,0,0|2,0,0]=4 12787 B11R1.1 CCCCN1CCC(CC1)C 34a_100000188429_100000210210 [0,1,0,1,0,0|2,0,0]=4 12788 B11R1.1 CCCCN1CCC(CC1)F 2230a_100015193889_100000210211 [0,1,0,1,0,0|2,0,0]=4 12789 B11R1.1 CCCCN1CCC(CC1)F 269982a_100015193889_100000210211 [0,1,0,1,0,0|2,0,0]=4 12790 B11R1.1 CCCCN1CCC(CC1)F 34a_100015193889_100000210210 [0,1,0,1,0,0|2,0,0]=4 12791 B11R1.1 CCCCN1CCC(CC1)O 2230a_100025773856_100000210211 [0,1,0,1,0,0|1,0,0]=3 12792 B11R1.1 CCCCN1CCC(CC1)O 269982a_100025773856_100000210211 [0,1,0,1,0,0|1,0,0]=3 12793 B11R1.1 CCCNC1CCC(CC1)C 270004a_100020643023_100000185489 [0,1,0,1,0,0|2,0,0]=4 12794 B11R1.1 CCCNC1CCC(CC1)O 270004a_100020643023_100000764474 [0,1,0,1,0,0|1,0,0]=3 12795 B11R1.1 CCCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000210303 [0,1,0,1,0,0|2,0,0]=4 12796 B11R1.1 CCCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000210303 [0,1,0,1,0,0|2,0,0]=4 12797 B11R1.1 CCCOC1CCC(CC1)C 34a_100000210258_200011216234 [0,1,0,1,0,0|2,0,0]=4 12798 B11R1.1 CCCOC1CCC(CC1)C 34a_100000210714_100000210303 [0,1,0,1,0,0|2,0,0]=4 12799 B11R1.1 CCCOC1CCC(CC1)C 7a_100000210714_100000210303 [0,1,0,1,0,0|2,0,0]=4 12800 B11R1.1 CCCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000210303 [0,1,0,1,0,0|2,0,0]=4 12801 B11R1.1 CCCSC1CCC(CC1)C 62a_100000210303_200011216234 [0,1,0,1,0,0|2,0,0]=4 12802 B11R1.1 CCNCC1CCC(CC1)C 2230a_103436935547_100000210202 [0,1,0,1,0,0|2,0,0]=4 12803 B11R1.1 CCNCC1CCC(CC1)C 34a_103436935547_100000210202 [0,1,0,1,0,0|2,0,0]=4 12804 B11R1.1 CCOCC1CCC(CC1)C 34a_100000701341_100000210202 [0,1,0,1,0,0|2,0,0]=4 12805 B11R1.1 CCOCN1CCC(CC1)O 269982a_100025773856_100000739092 [0,1,0,1,0,0|2,0,0]=4 12806 B11R1.1 CCOC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100000210202 [0,1,0,1,0,0|2,0,0]=4 12807 B11R1.1 CNCCC1CCC(CC1)O 34a_200011935226_200000210301 [0,1,0,1,0,0|1,0,0]=3 12808 B11R1.1 COCCC1CCC(CC1)N 34a_100000070672_200000210301 [0,1,0,1,0,0|2,0,0]=4 12809 B11R1.1 COCCN1CCC(CC1)O 2230a_100025773856_100011201679 [0,1,0,1,0,0|2,0,0]=4 12810 B11R1.1 COCCN1CCC(CC1)O 269982a_100025773856_100000233755 [0,1,0,1,0,0|2,0,0]=4 12811 B11R1.1 CSCCN1CCC(CC1)O 2230a_100025773856_100000751147 [0,1,0,1,0,0|2,0,0]=4 12812 B11R1.1 CSCCN1CCC(CC1)O 269982a_100025773856_100000212216 [0,1,0,1,0,0|2,0,0]=4 12813 B11R1.1 OC1CCN(CC1)CCCF 2230a_100025773856_100011934791 [0,1,0,1,0,0|2,0,0]=4 12814 B11R1.1 OC1CCN(CC1)CCCF 269982a_100025773856_100011934791 [0,1,0,1,0,0|2,0,0]=4 12815 B11R1.1 OCCCN1CCC(CC1)O 2230a_100025773856_100000230001 [0,1,0,1,0,0|2,0,0]=4 12816 B11R1.1 OCCCN1CCC(CC1)O 269982a_100025773856_100011215043 [0,1,0,1,0,0|2,0,0]=4 12817 B11R1.1 OCCNC1CCC(CC1)O 270004a_100000210304_100000764474 [0,1,0,1,0,0|2,0,0]=4 12818 B11R1.1 [13CH3]NCCC1CCC(CC1)O 34a_200011935226_200025704644 [0,1,0,1,0,0|1,0,0]=3 12819 B11R1.1 [13CH3]OCCC1CCC(CC1)N 34a_100000070672_200025704644 [0,1,0,1,0,0|2,0,0]=4 12820 B11R1.13 CCNC1CCCC(C1C)C 2230a_100000211273_100000210202 [0,1,0,1,0,0|2,0,0]=4 12821 B11R1.13 CCNC1CCCC(C1C)C 34a_100000211273_100000210202 [0,1,0,1,0,0|2,0,0]=4 12822 B11R1.13 CCOC1CCCC(C1C)C 34a_100011217532_100000210202 [0,1,0,1,0,0|2,0,0]=4 12823 B11R1.13 CCOC1CCCC(C1C)C 7a_100011217532_100000210202 [0,1,0,1,0,0|2,0,0]=4 12824 B11R1.25 C=CC(O)CNC1CCCC1 2230a_100000211070_100000730141 [0,1,0,1,0,0|1,0,1]=4 12825 B11R1.25 C=CC(O)CNC1CCCC1 34a_100000211070_100000730141 [0,1,0,1,0,0|1,0,1]=4 12826 B11R1.25 C=CC(O)COC1CCCC1 34a_100000210269_100000730141 [0,1,0,1,0,0|1,0,1]=4 12827 B11R1.25 C=CC(O)COC1CCCC1 7a_100000210269_100000730141 [0,1,0,1,0,0|1,0,1]=4 12828 B11R1.25 C=CC(O)CSC1CCCC1 62a_100000730141_100000179811 [0,1,0,1,0,0|1,0,1]=4 12829 B11R1.25 C=CC(O)CSC1CCCC1 62a_100011217020_100000730141 [0,1,0,1,0,0|1,0,1]=4 12830 B11R1.25 CC(CF)OCC1CCCC1 34a_100016041109_100000740388 [0,1,0,1,0,0|2,0,0]=4 12831 B11R1.25 CC(CF)OCC1CCCC1 7a_100016041109_100000740388 [0,1,0,1,0,0|2,0,0]=4 12832 B11R1.25 CC(CN)COC1CCCC1 34a_100000744482_100000179811 [0,1,0,1,0,0|2,0,0]=4 12833 B11R1.25 CC(CN)OCC1CCCC1 34a_100000210904_100000740388 [0,1,0,1,0,0|2,0,0]=4 12834 B11R1.25 CC(CO)CNC1CCCC1 34a_100000744482_100000179811 [0,1,0,1,0,0|1,0,0]=3 12835 B11R1.25 CC(CO)CNC1CCOC1 34a_100000744482_100000690089 [0,1,0,1,0,0|2,0,0]=4 12836 B11R1.25 CC(CO)NCC1CCCC1 2230a_100000737975_100012180447 [0,1,0,1,0,0|1,0,0]=3 12837 B11R1.25 CC(CO)NCC1CCCC1 34a_100000737975_100012180447 [0,1,0,1,0,0|1,0,0]=3 12838 B11R1.25 CC(CO)NCC1CCOC1 2230a_100000737293_100012180447 [0,1,0,1,0,0|2,0,0]=4 12839 B11R1.25 CC(CO)NCC1CCOC1 34a_100000737293_100012180447 [0,1,0,1,0,0|2,0,0]=4 12840 B11R1.25 CC(CO)NC[C@@H]1CCCO1 2230a_100020590478_100012180447 [0,1,0,1,0,0|2,0,0]=4 12841 B11R1.25 CC(CO)NC[C@@H]1CCCO1 34a_100020590478_100012180447 [0,1,0,1,0,0|2,0,0]=4 12842 B11R1.25 CC(CO)OCC1CCCC1 34a_100000742336_100012180447 [0,1,0,1,0,0|1,0,0]=3 12843 B11R1.25 CC(CO)OCC1CCCC1 7a_100000742336_100012180447 [0,1,0,1,0,0|1,0,0]=3 12844 B11R1.25 CC(CO)OCC1CCCO1 34a_100000210270_100012180447 [0,1,0,1,0,0|2,0,0]=4 12845 B11R1.25 CC(CO)OCC1CCCO1 7a_100000210270_100012180447 [0,1,0,1,0,0|2,0,0]=4 12846 B11R1.25 CC(CO)OCC1CCNC1 34a_100000748654_100012180447 [0,1,0,1,0,0|2,0,0]=4 12847 B11R1.25 CC(CO)OCC1CCOC1 34a_100000740260_100012180447 [0,1,0,1,0,0|2,0,0]=4 12848 B11R1.25 CC(CO)OC[C@H]1CCCN1 34a_100000745186_100012180447 [0,1,0,1,0,0|2,0,0]=4 12849 B11R1.25 CC(CO)SCC1CCCC1 62a_100012180447_100000740388 [0,1,0,1,0,0|1,0,0]=3 12850 B11R1.25 CC(CO)SCC1CCCO1 62a_100012180447_100000203698 [0,1,0,1,0,0|2,0,0]=4 12851 B11R1.25 CC(CO)SCC1CCOC1 62a_100012180447_100000702531 [0,1,0,1,0,0|2,0,0]=4 12852 B11R1.25 CCC(C)CNC1CCCC1 2230a_100000211070_100000748023 [0,1,0,1,0,0|2,0,0]=4 12853 B11R1.25 CCC(C)CNC1CCCC1 2230a_100020588543_100000179811 [0,1,0,1,0,0|2,0,0]=4 12854 B11R1.25 CCC(C)CNC1CCCC1 270004a_100000211070_100000243153 [0,1,0,1,0,0|2,0,0]=4 12855 B11R1.25 CCC(C)CNC1CCCC1 270004a_100020588543_100000210133 [0,1,0,1,0,0|2,0,0]=4 12856 B11R1.25 CCC(C)CNC1CCCC1 34a_100000211070_100000748023 [0,1,0,1,0,0|2,0,0]=4 12857 B11R1.25 CCC(C)COC1CCCC1 34a_100000210269_100000748023 [0,1,0,1,0,0|2,0,0]=4 12858 B11R1.25 CCC(C)COC1CCCC1 7a_100000210269_100000748023 [0,1,0,1,0,0|2,0,0]=4 12859 B11R1.25 CCC(C)CSC1CCCC1 62a_100000748023_100000179811 [0,1,0,1,0,0|2,0,0]=4 12860 B11R1.25 CCC(C)CSC1CCCC1 62a_100011217020_100000748023 [0,1,0,1,0,0|2,0,0]=4 12861 B11R1.25 CCC(C)NCC1CCCC1 2230a_100000209981_100000740388 [0,1,0,1,0,0|2,0,0]=4 12862 B11R1.25 CCC(C)NCC1CCCC1 2230a_100000737975_100000758301 [0,1,0,1,0,0|2,0,0]=4 12863 B11R1.25 CCC(C)NCC1CCCC1 269862a_100000209981_100000746403 [0,1,0,1,0,0|2,0,0]=4 12864 B11R1.25 CCC(C)NCC1CCCC1 34a_100000737975_100011215416 [0,1,0,1,0,0|2,0,0]=4 12865 B11R1.25 CCC(C)OCC1CCCC1 34a_100000742336_100011215416 [0,1,0,1,0,0|2,0,0]=4 12866 B11R1.25 CCC(C)OCC1CCCC1 7a_100000210228_100000740388 [0,1,0,1,0,0|2,0,0]=4 12867 B11R1.25 CCC(C)OCC1CCCC1 7a_100000742336_100000758301 [0,1,0,1,0,0|2,0,0]=4 12868 B11R1.25 CCC(C)SCC1CCCC1 62a_100000740388_100000758301 [0,1,0,1,0,0|2,0,0]=4 12869 B11R1.25 CCC(C)SCC1CCCC1 62a_100000758301_100000740388 [0,1,0,1,0,0|2,0,0]=4 12870 B11R1.25 CCC(O)CNC1CCCC1 2230a_100000211070_100011218378 [0,1,0,1,0,0|1,0,0]=3 12871 B11R1.25 CCC(O)CNC1CCCC1 2230a_100011218483_100000179811 [0,1,0,1,0,0|1,0,0]=3 12872 B11R1.25 CCC(O)CNC1CCCC1 270004a_100011218483_100000210133 [0,1,0,1,0,0|1,0,0]=3 12873 B11R1.25 CCC(O)CNC1CCCC1 34a_100000211070_100011218378 [0,1,0,1,0,0|1,0,0]=3 12874 B11R1.25 CCC(O)CNC1CCOC1 2230a_100011218483_100000731011 [0,1,0,1,0,0|2,0,0]=4 12875 B11R1.25 CCC(O)CNC1CCOC1 270004a_100011218483_100000752484 [0,1,0,1,0,0|2,0,0]=4 12876 B11R1.25 CCC(O)CNC1CCSC1 270004a_100011218483_100000212027 [0,1,0,1,0,0|2,0,0]=4 12877 B11R1.25 CCC(O)CN[C@@H]1CCOC1 2230a_200015188469_100011218378 [0,1,0,1,0,0|2,0,0]=4 12878 B11R1.25 CCC(O)CN[C@H]1CCOC1 2230a_100015188467_100011218378 [0,1,0,1,0,0|2,0,0]=4 12879 B11R1.25 CCC(O)CN[C@H]1CCOC1 34a_100015188467_100011218378 [0,1,0,1,0,0|2,0,0]=4 12880 B11R1.25 CCC(O)COC1CCCC1 34a_100000210269_100011218378 [0,1,0,1,0,0|1,0,0]=3 12881 B11R1.25 CCC(O)COC1CCCC1 7a_100000210269_100011218378 [0,1,0,1,0,0|1,0,0]=3 12882 B11R1.25 CCC(O)COC1CCCO1 34a_100000085407_100011218378 [0,1,0,1,0,0|2,0,0]=4 12883 B11R1.25 CCC(O)COC1CCSC1 7a_100011232664_100011218378 [0,1,0,1,0,0|2,0,0]=4 12884 B11R1.25 CCC(O)CO[C@H]1CCOC1 34a_100000717292_100011218378 [0,1,0,1,0,0|2,0,0]=4 12885 B11R1.25 CCC(O)CSC1CCCC1 62a_100011217020_100011218378 [0,1,0,1,0,0|1,0,0]=3 12886 B11R1.25 CCC(O)CSC1CCCC1 62a_100011218378_100000179811 [0,1,0,1,0,0|1,0,0]=3 12887 B11R1.25 CCC(O)CSC1CCOC1 62a_100011218378_100000690089 [0,1,0,1,0,0|2,0,0]=4 12888 B11R1.25 CC[C@H](C)CNC1CCCC1 2230a_100000211070_100009816398 [0,1,0,1,0,0|2,0,0]=4 12889 B11R1.25 CC[C@H](C)CNC1CCCC1 34a_100000211070_100009816398 [0,1,0,1,0,0|2,0,0]=4 12890 B11R1.25 CC[C@H](C)COC1CCCC1 34a_100000210269_100009816398 [0,1,0,1,0,0|2,0,0]=4 12891 B11R1.25 CC[C@H](C)COC1CCCC1 7a_100000210269_100009816398 [0,1,0,1,0,0|2,0,0]=4 12892 B11R1.25 CC[C@H](C)COC1CCCC1 7a_100009816381_100000179811 [0,1,0,1,0,0|2,0,0]=4 12893 B11R1.25 CC[C@H](C)CSC1CCCC1 62a_100009816398_100000179811 [0,1,0,1,0,0|2,0,0]=4 12894 B11R1.25 CC[C@H](C)CSC1CCCC1 62a_100011217020_100009816398 [0,1,0,1,0,0|2,0,0]=4 12895 B11R1.25 C[C@@H](CO)CNC1CCCC1 2230a_100000211070_100000059175 [0,1,0,1,0,0|1,0,0]=3 12896 B11R1.25 C[C@@H](CO)CNC1CCCC1 34a_100000211070_100000059175 [0,1,0,1,0,0|1,0,0]=3 12897 B11R1.25 C[C@@H](CO)CN[C@@H]1CCOC1 2230a_200015188469_100000059175 [0,1,0,1,0,0|2,0,0]=4 12898 B11R1.25 C[C@@H](CO)CN[C@H]1CCOC1 2230a_100015188467_100000059175 [0,1,0,1,0,0|2,0,0]=4 12899 B11R1.25 C[C@@H](CO)CN[C@H]1CCOC1 34a_100015188467_100000059175 [0,1,0,1,0,0|2,0,0]=4 12900 B11R1.25 C[C@@H](CO)COC1CCCC1 34a_100000210269_100000059175 [0,1,0,1,0,0|1,0,0]=3 12901 B11R1.25 C[C@@H](CO)COC1CCCC1 7a_100000210269_100000059175 [0,1,0,1,0,0|1,0,0]=3 12902 B11R1.25 C[C@@H](CO)COC1CCCO1 34a_100000085407_100000059175 [0,1,0,1,0,0|2,0,0]=4 12903 B11R1.25 C[C@@H](CO)COC1CCSC1 7a_100011232664_100000059175 [0,1,0,1,0,0|2,0,0]=4 12904 B11R1.25 C[C@@H](CO)CO[C@H]1CCOC1 34a_100000717292_100000059175 [0,1,0,1,0,0|2,0,0]=4 12905 B11R1.25 C[C@@H](CO)CSC1CCCC1 62a_100000059175_100000179811 [0,1,0,1,0,0|1,0,0]=3 12906 B11R1.25 C[C@@H](CO)CSC1CCCC1 62a_100011217020_100000059175 [0,1,0,1,0,0|1,0,0]=3 12907 B11R1.25 C[C@@H](CO)CSC1CCOC1 62a_100000059175_100000690089 [0,1,0,1,0,0|2,0,0]=4 12908 B11R1.25 C[C@H](CF)NCC1CCCC1 269862a_100102880703_100000746403 [0,1,0,1,0,0|2,0,0]=4 12909 B11R1.25 C[C@H](CO)NCC1CCCC1 2230a_100000737577_100000740388 [0,1,0,1,0,0|1,0,0]=3 12910 B11R1.25 C[C@H](CO)NCC1CCCC1 269862a_100000737577_100000746403 [0,1,0,1,0,0|1,0,0]=3 12911 B11R1.25 C[C@H](CO)NCC1CCCO1 2230a_100000737577_100000203698 [0,1,0,1,0,0|2,0,0]=4 12912 B11R1.25 C[C@H](CO)NCC1CCOC1 2230a_100000737577_100000702531 [0,1,0,1,0,0|2,0,0]=4 12913 B11R1.25 C[C@H](CO)SCC1CCCC1 62a_100000740388_100016084084 [0,1,0,1,0,0|1,0,0]=3 12914 B11R1.25 C[C@H](CO)SCC1CCCC1 62a_100016084084_100000740388 [0,1,0,1,0,0|1,0,0]=3 12915 B11R1.25 C[C@H](CO)SCC1CCCO1 62a_100000203698_100016084084 [0,1,0,1,0,0|2,0,0]=4 12916 B11R1.25 C[C@H](CO)SCC1CCCO1 62a_100016084084_100000203698 [0,1,0,1,0,0|2,0,0]=4 12917 B11R1.25 C[C@H](CO)SCC1CCOC1 62a_100000702531_100016084084 [0,1,0,1,0,0|2,0,0]=4 12918 B11R1.25 C[C@H](CO)SCC1CCOC1 62a_100016084084_100000702531 [0,1,0,1,0,0|2,0,0]=4 12919 B11R1.25 ClCC(Cl)COC1CCCC1 34a_100000033668_100000179811 [0,1,0,1,0,0|2,0,0]=4 12920 B11R1.25 NC[C@@H](F)COC1CCCC1 34a_100015665980_100000179811 [0,1,0,1,0,0|2,0,0]=4 12921 B11R1.25 O=C(CO)CCC1CCCC1 1458a_100000210174_100000760354 [0,1,0,1,0,0|0,0,2]=4 12922 B11R1.25 O=C(CO)CCN1CCCC1 1458a_100000210174_100000004467 [0,1,0,1,0,0|0,0,2]=4 12923 B11R1.25 O=C(CO)NCC1CCCC1 240690a_100000737975_100000210174 [0,1,0,1,0,0|0,0,2]=4 12924 B11R1.25 O=C(CO)NCC1CCCC1 527a_100000737975_100000210174 [0,1,0,1,0,0|0,0,2]=4 12925 B11R1.25 OCC(O)CNC1CC=CC1 2230a_100015188752_100011219619 [0,1,0,1,0,0|0,0,2]=4 12926 B11R1.25 OCC(O)CNC1CCCC1 2230a_100000211070_100011219619 [0,1,0,1,0,0|0,0,0]=2 12927 B11R1.25 OCC(O)CNC1CCCC1 34a_100000211070_100011219619 [0,1,0,1,0,0|0,0,0]=2 12928 B11R1.25 OCC(O)CN[C@@H]1CCOC1 2230a_200015188469_100011219619 [0,1,0,1,0,0|1,0,0]=3 12929 B11R1.25 OCC(O)CN[C@H]1CCOC1 2230a_100015188467_100011219619 [0,1,0,1,0,0|1,0,0]=3 12930 B11R1.25 OCC(O)CN[C@H]1CCOC1 34a_100015188467_100011219619 [0,1,0,1,0,0|1,0,0]=3 12931 B11R1.25 OCC(O)COC1CCCC1 34a_100000210269_100011219619 [0,1,0,1,0,0|0,0,0]=2 12932 B11R1.25 OCC(O)COC1CCCC1 7a_100000210269_100011219619 [0,1,0,1,0,0|0,0,0]=2 12933 B11R1.25 OCC(O)COC1CCCO1 34a_100000085407_100011219619 [0,1,0,1,0,0|1,0,0]=3 12934 B11R1.25 OCC(O)COC1CCSC1 7a_100011232664_100011219619 [0,1,0,1,0,0|1,0,0]=3 12935 B11R1.25 OCC(O)CO[C@H]1CCOC1 34a_100000717292_100011219619 [0,1,0,1,0,0|1,0,0]=3 12936 B11R1.25 OCC(O)CSC1CCCC1 62a_100011217020_100011219619 [0,1,0,1,0,0|0,0,0]=2 12937 B11R1.25 OCC(O)CSC1CCCC1 62a_100011219619_100000179811 [0,1,0,1,0,0|0,0,0]=2 12938 B11R1.25 OCC(O)CSC1CCOC1 62a_100011219619_100000690089 [0,1,0,1,0,0|1,0,0]=3 12939 B11R1.25 OC[C@@H](O)CNC1CCCC1 2230a_100020644852_100000179811 [0,1,0,1,0,0|0,0,0]=2 12940 B11R1.25 OC[C@@H](O)CNC1CCOC1 2230a_100020644852_100000731011 [0,1,0,1,0,0|1,0,0]=3 12941 B11R1.25 OC[C@H](F)CNC1CCCC1 270004a_100015665980_100000210133 [0,1,0,1,0,0|1,0,0]=3 12942 B11R1.25 OC[C@H](F)CNC1CCCC1 34a_100015665980_100000179811 [0,1,0,1,0,0|1,0,0]=3 12943 B11R1.25 OC[C@H](F)CNC1CCOC1 270004a_100015665980_100000752484 [0,1,0,1,0,0|2,0,0]=4 12944 B11R1.25 OC[C@H](F)CNC1CCOC1 34a_100015665980_100000690089 [0,1,0,1,0,0|2,0,0]=4 12945 B11R1.25 OC[C@H](F)CNC1CCSC1 270004a_100015665980_100000212027 [0,1,0,1,0,0|2,0,0]=4 12946 B11R1.25 OC[C@H](O)CNC1CC=CC1 2230a_100015188752_100009815848 [0,1,0,1,0,0|0,0,2]=4 12947 B11R1.25 OC[C@H](O)CNC1CCCC1 2230a_100000211070_100009815848 [0,1,0,1,0,0|0,0,0]=2 12948 B11R1.25 OC[C@H](O)CNC1CCCC1 34a_100000211070_100009815848 [0,1,0,1,0,0|0,0,0]=2 12949 B11R1.25 OC[C@H](O)CN[C@@H]1CCOC1 2230a_200015188469_100009815848 [0,1,0,1,0,0|1,0,0]=3 12950 B11R1.25 OC[C@H](O)CN[C@H]1CCOC1 2230a_100015188467_100009815848 [0,1,0,1,0,0|1,0,0]=3 12951 B11R1.25 OC[C@H](O)CN[C@H]1CCOC1 34a_100015188467_100009815848 [0,1,0,1,0,0|1,0,0]=3 12952 B11R1.25 OC[C@H](O)COC1CCCC1 34a_100000210269_100009815848 [0,1,0,1,0,0|0,0,0]=2 12953 B11R1.25 OC[C@H](O)COC1CCCC1 7a_100000210269_100009815848 [0,1,0,1,0,0|0,0,0]=2 12954 B11R1.25 OC[C@H](O)COC1CCCO1 34a_100000085407_100009815848 [0,1,0,1,0,0|1,0,0]=3 12955 B11R1.25 OC[C@H](O)COC1CCSC1 7a_100011232664_100009815848 [0,1,0,1,0,0|1,0,0]=3 12956 B11R1.25 OC[C@H](O)CO[C@H]1CCOC1 34a_100000717292_100009815848 [0,1,0,1,0,0|1,0,0]=3 12957 B11R1.25 OC[C@H](O)CSC1CCCC1 62a_100009815848_100000179811 [0,1,0,1,0,0|0,0,0]=2 12958 B11R1.25 OC[C@H](O)CSC1CCCC1 62a_100011217020_100009815848 [0,1,0,1,0,0|0,0,0]=2 12959 B11R1.25 OC[C@H](O)CSC1CCOC1 62a_100009815848_100000690089 [0,1,0,1,0,0|1,0,0]=3 12960 B11R1.25 O[C@@H](CF)CNC1CCCC1 2230a_100000211070_100015614560 [0,1,0,1,0,0|1,0,0]=3 12961 B11R1.25 O[C@@H](CF)CNC1CCCC1 34a_100000211070_100015614560 [0,1,0,1,0,0|1,0,0]=3 12962 B11R1.25 O[C@@H](CF)CN[C@@H]1CCOC1 2230a_200015188469_100015614560 [0,1,0,1,0,0|2,0,0]=4 12963 B11R1.25 O[C@@H](CF)CN[C@H]1CCOC1 2230a_100015188467_100015614560 [0,1,0,1,0,0|2,0,0]=4 12964 B11R1.25 O[C@@H](CF)CN[C@H]1CCOC1 34a_100015188467_100015614560 [0,1,0,1,0,0|2,0,0]=4 12965 B11R1.25 O[C@@H](CF)COC1CCCC1 34a_100000210269_100015614560 [0,1,0,1,0,0|1,0,0]=3 12966 B11R1.25 O[C@@H](CF)COC1CCCC1 7a_100000210269_100015614560 [0,1,0,1,0,0|1,0,0]=3 12967 B11R1.25 O[C@@H](CF)COC1CCCO1 34a_100000085407_100015614560 [0,1,0,1,0,0|2,0,0]=4 12968 B11R1.25 O[C@@H](CF)COC1CCSC1 7a_100011232664_100015614560 [0,1,0,1,0,0|2,0,0]=4 12969 B11R1.25 O[C@@H](CF)CO[C@H]1CCOC1 34a_100000717292_100015614560 [0,1,0,1,0,0|2,0,0]=4 12970 B11R1.25 O[C@@H](CF)CSC1CCCC1 62a_100011217020_100015614560 [0,1,0,1,0,0|1,0,0]=3 12971 B11R1.25 O[C@@H](CF)CSC1CCCC1 62a_100015614560_100000179811 [0,1,0,1,0,0|1,0,0]=3 12972 B11R1.25 O[C@@H](CF)CSC1CCOC1 62a_100015614560_100000690089 [0,1,0,1,0,0|2,0,0]=4 12973 B11R1.27 CCCCCN1CCC(C1)O 2230a_100011215560_100000210326 [0,1,0,1,0,0|1,0,0]=3 12974 B11R1.27 CCCCCN1CCC(C1)O 269982a_100011215560_100000210215 [0,1,0,1,0,0|1,0,0]=3 12975 B11R1.27 CCCCCN1CC[C@@H](C1)F 2230a_100015203821_100000210326 [0,1,0,1,0,0|2,0,0]=4 12976 B11R1.27 CCCCCN1CC[C@@H](C1)F 269982a_100015203821_100000210215 [0,1,0,1,0,0|2,0,0]=4 12977 B11R1.27 CCCCCN1CC[C@@H](C1)F 34a_100015203821_100000718602 [0,1,0,1,0,0|2,0,0]=4 12978 B11R1.27 CCCCCN1CC[C@H](C1)C 2230a_100016987628_100000210326 [0,1,0,1,0,0|2,0,0]=4 12979 B11R1.27 CCCCCN1CC[C@H](C1)C 269982a_100016987628_100000210215 [0,1,0,1,0,0|2,0,0]=4 12980 B11R1.27 CCCCCN1CC[C@H](C1)C 34a_100016987628_100000718602 [0,1,0,1,0,0|2,0,0]=4 12981 B11R1.27 CCCCNC1CCC(C1)C 270004a_100000102301_100011215218 [0,1,0,1,0,0|2,0,0]=4 12982 B11R1.27 CCCCNC1CCC(C1)O 270004a_100000102301_100012614533 [0,1,0,1,0,0|1,0,0]=3 12983 B11R1.27 CCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210211 [0,1,0,1,0,0|1,0,0]=3 12984 B11R1.27 CCCCOC1CCC(C1)C 34a_100000698185_100000210210 [0,1,0,1,0,0|2,0,0]=4 12985 B11R1.27 CCCOC[C@@H]1C[C@@H](CN1)F 34a_100015204000_100000210303 [0,1,0,1,0,0|2,0,0]=4 12986 B11R1.27 CCOCCN1CCC(C1)O 2230a_100011215560_100011215890 [0,1,0,1,0,0|2,0,0]=4 12987 B11R1.27 CCOCCN1CCC(C1)O 269982a_100011215560_100011215890 [0,1,0,1,0,0|2,0,0]=4 12988 B11R1.27 CCSCCN1CCC(C1)O 2230a_100011215560_100000757381 [0,1,0,1,0,0|2,0,0]=4 12989 B11R1.27 CCSCCN1CCC(C1)O 269982a_100011215560_100000757381 [0,1,0,1,0,0|2,0,0]=4 12990 B11R1.27 COCCCN1CCC(C1)O 2230a_100011215560_100000740836 [0,1,0,1,0,0|2,0,0]=4 12991 B11R1.27 COCCCN1CCC(C1)O 269982a_100011215560_100000740836 [0,1,0,1,0,0|2,0,0]=4 12992 B11R1.27 COCCNC1CCC(C1)O 270004a_100000209980_100012614533 [0,1,0,1,0,0|2,0,0]=4 12993 B11R1.27 COCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100011201679 [0,1,0,1,0,0|2,0,0]=4 12994 B11R1.27 CSCCNC1CCC(C1)O 270004a_100020590264_100012614533 [0,1,0,1,0,0|2,0,0]=4 12995 B11R1.27 CSCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000751147 [0,1,0,1,0,0|2,0,0]=4 12996 B11R1.27 OC1CCC(C1)NCCCF 270004a_100015189416_100012614533 [0,1,0,1,0,0|2,0,0]=4 12997 B11R1.27 OC1CCN(C1)CCCCF 2230a_100011215560_100000729493 [0,1,0,1,0,0|2,0,0]=4 12998 B11R1.27 OC1CCN(C1)CCCCF 269982a_100011215560_100000729493 [0,1,0,1,0,0|2,0,0]=4 12999 B11R1.27 OCCCCN1CCC(C1)O 2230a_100011215560_100000210776 [0,1,0,1,0,0|2,0,0]=4 13000 B11R1.27 OCCCCN1CCC(C1)O 269982a_100011215560_100000210776 [0,1,0,1,0,0|2,0,0]=4 13001 B11R1.27 OCCCNC1CCC(C1)O 270004a_100000182051_100012614533 [0,1,0,1,0,0|2,0,0]=4 13002 B11R1.27 OCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000230001 [0,1,0,1,0,0|2,0,0]=4 13003 B11R1.27 O[C@@H]1CC[C@@H](C1)NCCCF 2230a_100015195300_100011934791 [0,1,0,1,0,0|2,0,0]=4 13004 B11R1.46 CCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210314 [0,1,0,1,0,0|2,0,0]=4 13005 B11R1.46 CCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210314 [0,1,0,1,0,0|2,0,0]=4 13006 B11R1.46 CCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210314 [0,1,0,1,0,0|2,0,0]=4 13007 B11R1.46 CCCCCOCC1CC1C 34a_100000744939_100000718602 [0,1,0,1,0,0|2,0,0]=4 13008 B11R1.46 CCCCCOCC1CC1C 7a_100000744939_100000210326 [0,1,0,1,0,0|2,0,0]=4 13009 B11R1.47 BrCCCCCOC1COC1 34a_100000746331_100009818527 [0,1,0,1,0,0|2,0,0]=4 13010 B11R1.47 BrCCCCCOC1COC1 7a_100000746331_100009818527 [0,1,0,1,0,0|2,0,0]=4 13011 B11R1.47 BrCCCCOCC1CCO1 34a_100011216708_100000103362 [0,1,0,1,0,0|2,0,0]=4 13012 B11R1.47 BrCCCCOCC1COC1 34a_100011216708_100010264016 [0,1,0,1,0,0|2,0,0]=4 13013 B11R1.47 CCCCCCNC1CCC1 2230a_100000749019_100000210314 [0,1,0,1,0,0|2,0,0]=4 13014 B11R1.47 CCCCCCNC1CCC1 270004a_100000210581_100000241760 [0,1,0,1,0,0|2,0,0]=4 13015 B11R1.47 CCCCCCNC1CCC1 34a_100000749019_100000210314 [0,1,0,1,0,0|2,0,0]=4 13016 B11R1.47 CCCCCCNC1COC1 2230a_100016991112_100000210314 [0,1,0,1,0,0|1,0,0]=3 13017 B11R1.47 CCCCCCOC1CCC1 34a_100000210259_100000749161 [0,1,0,1,0,0|2,0,0]=4 13018 B11R1.47 CCCCCCOC1CCC1 34a_100000748187_100000210314 [0,1,0,1,0,0|2,0,0]=4 13019 B11R1.47 CCCCCCOC1COC1 34a_100000210259_100009818527 [0,1,0,1,0,0|1,0,0]=3 13020 B11R1.47 CCCCCCOC1COC1 7a_100000210259_100009818527 [0,1,0,1,0,0|1,0,0]=3 13021 B11R1.47 CCCCCCOC1CSC1 7a_100000072292_100000210314 [0,1,0,1,0,0|1,1,0]=4 13022 B11R1.47 CCCCCCSC1CCC1 62a_100000210314_100000749161 [0,1,0,1,0,0|2,0,0]=4 13023 B11R1.47 CCCCCCSC1COC1 62a_100000210314_100009818527 [0,1,0,1,0,0|1,0,0]=3 13024 B11R1.47 CCCCCNCC1CCC1 2230a_100000209983_100000763275 [0,1,0,1,0,0|2,0,0]=4 13025 B11R1.47 CCCCCNCC1CCC1 2230a_100000738700_100000210326 [0,1,0,1,0,0|2,0,0]=4 13026 B11R1.47 CCCCCNCC1CCC1 269862a_100000209983_100000753134 [0,1,0,1,0,0|2,0,0]=4 13027 B11R1.47 CCCCCNCC1CCC1 34a_100000738700_100000718602 [0,1,0,1,0,0|2,0,0]=4 13028 B11R1.47 CCCCCNCC1CCO1 2230a_100000209983_100000103362 [0,1,0,1,0,0|1,0,0]=3 13029 B11R1.47 CCCCCNCC1COC1 2230a_100000209983_100010264016 [0,1,0,1,0,0|1,0,0]=3 13030 B11R1.47 CCCCCNCC1COC1 2230a_100015281925_100000210326 [0,1,0,1,0,0|1,0,0]=3 13031 B11R1.47 CCCCCNCC1COC1 34a_100015281925_100000718602 [0,1,0,1,0,0|1,0,0]=3 13032 B11R1.47 CCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210326 [0,1,0,1,0,0|1,0,0]=3 13033 B11R1.47 CCCCCNC[C@@H]1CCO1 34a_100020831831_100000718602 [0,1,0,1,0,0|1,0,0]=3 13034 B11R1.47 CCCCCOCC1CCC1 34a_100000210253_100000763275 [0,1,0,1,0,0|2,0,0]=4 13035 B11R1.47 CCCCCOCC1CCC1 34a_100000760304_100000718602 [0,1,0,1,0,0|2,0,0]=4 13036 B11R1.47 CCCCCOCC1CCC1 7a_100000210253_100000763275 [0,1,0,1,0,0|2,0,0]=4 13037 B11R1.47 CCCCCOCC1CCO1 34a_100000039022_100000718602 [0,1,0,1,0,0|1,0,0]=3 13038 B11R1.47 CCCCCOCC1CCO1 34a_100000210253_100000103362 [0,1,0,1,0,0|1,0,0]=3 13039 B11R1.47 CCCCCOCC1CCO1 7a_100000210253_100000103362 [0,1,0,1,0,0|1,0,0]=3 13040 B11R1.47 CCCCCOCC1CNC1 34a_100016987283_100000718602 [0,1,0,1,0,0|2,0,0]=4 13041 B11R1.47 CCCCCOCC1COC1 34a_100000060846_100000718602 [0,1,0,1,0,0|1,0,0]=3 13042 B11R1.47 CCCCCOCC1COC1 34a_100000210253_100010264016 [0,1,0,1,0,0|1,0,0]=3 13043 B11R1.47 CCCCCOCC1COC1 7a_100000210253_100010264016 [0,1,0,1,0,0|1,0,0]=3 13044 B11R1.47 CCCCCSCC1CCC1 62a_100000210326_100000763275 [0,1,0,1,0,0|2,0,0]=4 13045 B11R1.47 CCCCCSCC1CCC1 62a_100000763275_100000210326 [0,1,0,1,0,0|2,0,0]=4 13046 B11R1.47 CCCCCSCC1CCO1 62a_100000103362_100000210326 [0,1,0,1,0,0|1,0,0]=3 13047 B11R1.47 CCCCCSCC1CCO1 62a_100000210326_100000103362 [0,1,0,1,0,0|1,0,0]=3 13048 B11R1.47 CCCCCSCC1COC1 62a_100000210326_100010264016 [0,1,0,1,0,0|1,0,0]=3 13049 B11R1.47 CCCCCSCC1COC1 62a_100010264016_100000210326 [0,1,0,1,0,0|1,0,0]=3 13050 B11R1.47 CCCCOCCC1COC1 34a_100009855314_100000210210 [0,1,0,1,0,0|1,0,0]=3 13051 B11R1.47 CCCCOCNC1COC1 2230a_100016991112_100011995733 [0,1,0,1,0,0|2,0,0]=4 13052 B11R1.47 CCCCOCSC1COC1 62a_100011995733_100009818527 [0,1,0,1,0,0|2,0,0]=4 13053 B11R1.47 CCCOCCNC1COC1 2230a_100016991112_100011215938 [0,1,0,1,0,0|2,0,0]=4 13054 B11R1.47 CCCOCCNC1COC1 34a_100161115042_100009818527 [0,1,0,1,0,0|2,0,0]=4 13055 B11R1.47 CCCOCCOC1COC1 34a_100000752267_100009818527 [0,1,0,1,0,0|2,0,0]=4 13056 B11R1.47 CCCOCCOC1COC1 7a_100000752267_100009818527 [0,1,0,1,0,0|2,0,0]=4 13057 B11R1.47 CCCOCCSC1COC1 62a_100011215938_100009818527 [0,1,0,1,0,0|2,0,0]=4 13058 B11R1.47 CCCSCCOC1COC1 34a_200000230433_100009818527 [0,1,0,1,0,0|2,0,0]=4 13059 B11R1.47 CCCSCCOC1COC1 7a_200000230433_100009818527 [0,1,0,1,0,0|2,0,0]=4 13060 B11R1.47 CCOCCCNC1COC1 2230a_100016991112_100012232248 [0,1,0,1,0,0|2,0,0]=4 13061 B11R1.47 CCOCCCNC1COC1 34a_100000210961_100009818527 [0,1,0,1,0,0|2,0,0]=4 13062 B11R1.47 CCOCCCOC1COC1 34a_100000757476_100009818527 [0,1,0,1,0,0|2,0,0]=4 13063 B11R1.47 CCOCCCOC1COC1 7a_100000757476_100009818527 [0,1,0,1,0,0|2,0,0]=4 13064 B11R1.47 CCOCCCSC1COC1 62a_100012232248_100009818527 [0,1,0,1,0,0|2,0,0]=4 13065 B11R1.47 CCOCCNCC1CCO1 2230a_102516460346_100000103362 [0,1,0,1,0,0|2,0,0]=4 13066 B11R1.47 CCOCCNCC1CCO1 34a_102516460346_100000103362 [0,1,0,1,0,0|2,0,0]=4 13067 B11R1.47 CCOCCNCC1COC1 2230a_100015281925_100011215890 [0,1,0,1,0,0|2,0,0]=4 13068 B11R1.47 CCOCCNCC1COC1 2230a_102516460346_100010264016 [0,1,0,1,0,0|2,0,0]=4 13069 B11R1.47 CCOCCNCC1COC1 34a_100015281925_100000210147 [0,1,0,1,0,0|2,0,0]=4 13070 B11R1.47 CCOCCNCC1COC1 34a_102516460346_100010264016 [0,1,0,1,0,0|2,0,0]=4 13071 B11R1.47 CCOCCNC[C@@H]1CCO1 2230a_100020831831_100011215890 [0,1,0,1,0,0|2,0,0]=4 13072 B11R1.47 CCOCCNC[C@@H]1CCO1 34a_100020831831_100000210147 [0,1,0,1,0,0|2,0,0]=4 13073 B11R1.47 CCOCCOCC1CCO1 34a_100000039022_100000210147 [0,1,0,1,0,0|2,0,0]=4 13074 B11R1.47 CCOCCOCC1CCO1 34a_100000210136_100000103362 [0,1,0,1,0,0|2,0,0]=4 13075 B11R1.47 CCOCCOCC1CCO1 7a_100000210136_100000103362 [0,1,0,1,0,0|2,0,0]=4 13076 B11R1.47 CCOCCOCC1COC1 34a_100000060846_100000210147 [0,1,0,1,0,0|2,0,0]=4 13077 B11R1.47 CCOCCOCC1COC1 34a_100000210136_100010264016 [0,1,0,1,0,0|2,0,0]=4 13078 B11R1.47 CCOCCOCC1COC1 7a_100000210136_100010264016 [0,1,0,1,0,0|2,0,0]=4 13079 B11R1.47 CCOCCSCC1CCO1 62a_100000103362_100011215890 [0,1,0,1,0,0|2,0,0]=4 13080 B11R1.47 CCOCCSCC1CCO1 62a_100000210147_100000103362 [0,1,0,1,0,0|2,0,0]=4 13081 B11R1.47 CCOCCSCC1COC1 62a_100000210147_100010264016 [0,1,0,1,0,0|2,0,0]=4 13082 B11R1.47 CCOCCSCC1COC1 62a_100010264016_100011215890 [0,1,0,1,0,0|2,0,0]=4 13083 B11R1.47 CCSCCCOC1COC1 34a_100011216438_100009818527 [0,1,0,1,0,0|2,0,0]=4 13084 B11R1.47 CCSCCCOC1COC1 7a_100011216438_100009818527 [0,1,0,1,0,0|2,0,0]=4 13085 B11R1.47 CCSCCNCC1CCO1 2230a_100000106463_100000103362 [0,1,0,1,0,0|2,0,0]=4 13086 B11R1.47 CCSCCNCC1COC1 2230a_100000106463_100010264016 [0,1,0,1,0,0|2,0,0]=4 13087 B11R1.47 CCSCCNCC1COC1 2230a_100015281925_100000757381 [0,1,0,1,0,0|2,0,0]=4 13088 B11R1.47 CCSCCNCC1COC1 34a_100015281925_100000757381 [0,1,0,1,0,0|2,0,0]=4 13089 B11R1.47 CCSCCNC[C@@H]1CCO1 2230a_100020831831_100000757381 [0,1,0,1,0,0|2,0,0]=4 13090 B11R1.47 CCSCCNC[C@@H]1CCO1 34a_100020831831_100000757381 [0,1,0,1,0,0|2,0,0]=4 13091 B11R1.47 CCSCCOCC1CCO1 34a_100000039022_100000757381 [0,1,0,1,0,0|2,0,0]=4 13092 B11R1.47 CCSCCOCC1CCO1 34a_100000212035_100000103362 [0,1,0,1,0,0|2,0,0]=4 13093 B11R1.47 CCSCCOCC1CCO1 7a_100000212035_100000103362 [0,1,0,1,0,0|2,0,0]=4 13094 B11R1.47 CCSCCOCC1COC1 34a_100000060846_100000757381 [0,1,0,1,0,0|2,0,0]=4 13095 B11R1.47 CCSCCOCC1COC1 34a_100000212035_100010264016 [0,1,0,1,0,0|2,0,0]=4 13096 B11R1.47 CCSCCOCC1COC1 7a_100000212035_100010264016 [0,1,0,1,0,0|2,0,0]=4 13097 B11R1.47 CCSCCSCC1CCO1 62a_100000103362_100000757381 [0,1,0,1,0,0|2,0,0]=4 13098 B11R1.47 CCSCCSCC1CCO1 62a_100000757381_100000103362 [0,1,0,1,0,0|2,0,0]=4 13099 B11R1.47 CCSCCSCC1COC1 62a_100000757381_100010264016 [0,1,0,1,0,0|2,0,0]=4 13100 B11R1.47 CCSCCSCC1COC1 62a_100010264016_100000757381 [0,1,0,1,0,0|2,0,0]=4 13101 B11R1.47 CNCCCOCC1CCO1 34a_100000213112_100000103362 [0,1,0,1,0,0|2,0,0]=4 13102 B11R1.47 CNCCCOCC1COC1 34a_100000213112_100010264016 [0,1,0,1,0,0|2,0,0]=4 13103 B11R1.47 COCCCCNC1COC1 2230a_100016991112_100000730899 [0,1,0,1,0,0|2,0,0]=4 13104 B11R1.47 COCCCCOC1COC1 34a_100000740925_100009818527 [0,1,0,1,0,0|2,0,0]=4 13105 B11R1.47 COCCCCSC1COC1 62a_100000730899_100009818527 [0,1,0,1,0,0|2,0,0]=4 13106 B11R1.47 COCCCNCC1CCO1 34a_100150723488_100000103362 [0,1,0,1,0,0|2,0,0]=4 13107 B11R1.47 COCCCNCC1COC1 2230a_100015281925_100000740836 [0,1,0,1,0,0|2,0,0]=4 13108 B11R1.47 COCCCNCC1COC1 34a_100015281925_100000740836 [0,1,0,1,0,0|2,0,0]=4 13109 B11R1.47 COCCCNCC1COC1 34a_100150723488_100010264016 [0,1,0,1,0,0|2,0,0]=4 13110 B11R1.47 COCCCNC[C@@H]1CCO1 2230a_100020831831_100000740836 [0,1,0,1,0,0|2,0,0]=4 13111 B11R1.47 COCCCNC[C@@H]1CCO1 34a_100020831831_100000740836 [0,1,0,1,0,0|2,0,0]=4 13112 B11R1.47 COCCCOCC1CCO1 34a_100000039022_100000740836 [0,1,0,1,0,0|2,0,0]=4 13113 B11R1.47 COCCCOCC1CCO1 34a_100000740835_100000103362 [0,1,0,1,0,0|2,0,0]=4 13114 B11R1.47 COCCCOCC1COC1 34a_100000060846_100000740836 [0,1,0,1,0,0|2,0,0]=4 13115 B11R1.47 COCCCOCC1COC1 34a_100000740835_100010264016 [0,1,0,1,0,0|2,0,0]=4 13116 B11R1.47 COCCCSCC1CCO1 62a_100000103362_100000709357 [0,1,0,1,0,0|2,0,0]=4 13117 B11R1.47 COCCCSCC1CCO1 62a_100000709357_100000103362 [0,1,0,1,0,0|2,0,0]=4 13118 B11R1.47 COCCCSCC1COC1 62a_100000709357_100010264016 [0,1,0,1,0,0|2,0,0]=4 13119 B11R1.47 COCCCSCC1COC1 62a_100010264016_100000709357 [0,1,0,1,0,0|2,0,0]=4 13120 B11R1.47 COCCOCCC1COC1 34a_100009855314_100011201679 [0,1,0,1,0,0|2,0,0]=4 13121 B11R1.47 CSCCCCOC1COC1 34a_100011217163_100009818527 [0,1,0,1,0,0|2,0,0]=4 13122 B11R1.47 CSCCCCOC1COC1 7a_100011217163_100009818527 [0,1,0,1,0,0|2,0,0]=4 13123 B11R1.47 CSCCCNCC1CCO1 2230a_100000749238_100000103362 [0,1,0,1,0,0|2,0,0]=4 13124 B11R1.47 CSCCCNCC1COC1 2230a_100000749238_100010264016 [0,1,0,1,0,0|2,0,0]=4 13125 B11R1.47 CSCCCOCC1CCO1 34a_100000690336_100000103362 [0,1,0,1,0,0|2,0,0]=4 13126 B11R1.47 CSCCCOCC1CCO1 7a_100000690336_100000103362 [0,1,0,1,0,0|2,0,0]=4 13127 B11R1.47 CSCCCOCC1COC1 34a_100000690336_100010264016 [0,1,0,1,0,0|2,0,0]=4 13128 B11R1.47 CSCCCOCC1COC1 7a_100000690336_100010264016 [0,1,0,1,0,0|2,0,0]=4 13129 B11R1.47 CSCCOCCC1COC1 34a_100009855314_100000212216 [0,1,0,1,0,0|2,0,0]=4 13130 B11R1.47 ClCCCCCOC1COC1 34a_100000746330_100009818527 [0,1,0,1,0,0|2,0,0]=4 13131 B11R1.47 ClCCCCCOC1COC1 7a_100000746330_100009818527 [0,1,0,1,0,0|2,0,0]=4 13132 B11R1.47 ClCCCCOCC1CCO1 34a_100000210776_100000103362 [0,1,0,1,0,0|2,0,0]=4 13133 B11R1.47 ClCCCCOCC1CCO1 7a_100000210776_100000103362 [0,1,0,1,0,0|2,0,0]=4 13134 B11R1.47 ClCCCCOCC1COC1 34a_100000210776_100010264016 [0,1,0,1,0,0|2,0,0]=4 13135 B11R1.47 ClCCCCOCC1COC1 7a_100000210776_100010264016 [0,1,0,1,0,0|2,0,0]=4 13136 B11R1.47 FCCCCCNC1COC1 2230a_100016991112_100000729378 [0,1,0,1,0,0|2,0,0]=4 13137 B11R1.47 FCCCCCSC1COC1 62a_100000729378_100009818527 [0,1,0,1,0,0|2,0,0]=4 13138 B11R1.47 FCCCCNCC1COC1 2230a_100015281925_100000729493 [0,1,0,1,0,0|2,0,0]=4 13139 B11R1.47 FCCCCNCC1COC1 34a_100015281925_100000729493 [0,1,0,1,0,0|2,0,0]=4 13140 B11R1.47 FCCCCNC[C@@H]1CCO1 2230a_100020831831_100000729493 [0,1,0,1,0,0|2,0,0]=4 13141 B11R1.47 FCCCCNC[C@@H]1CCO1 34a_100020831831_100000729493 [0,1,0,1,0,0|2,0,0]=4 13142 B11R1.47 FCCCCOCC1CCO1 34a_100000039022_100000729493 [0,1,0,1,0,0|2,0,0]=4 13143 B11R1.47 FCCCCOCC1CCO1 34a_100011995726_100000103362 [0,1,0,1,0,0|2,0,0]=4 13144 B11R1.47 FCCCCOCC1CCO1 7a_100011995726_100000103362 [0,1,0,1,0,0|2,0,0]=4 13145 B11R1.47 FCCCCOCC1COC1 34a_100000060846_100000729493 [0,1,0,1,0,0|2,0,0]=4 13146 B11R1.47 FCCCCOCC1COC1 34a_100011995726_100010264016 [0,1,0,1,0,0|2,0,0]=4 13147 B11R1.47 FCCCCOCC1COC1 7a_100011995726_100010264016 [0,1,0,1,0,0|2,0,0]=4 13148 B11R1.47 FCCCCSCC1CCO1 62a_100000103362_100000729493 [0,1,0,1,0,0|2,0,0]=4 13149 B11R1.47 FCCCCSCC1CCO1 62a_100000729493_100000103362 [0,1,0,1,0,0|2,0,0]=4 13150 B11R1.47 FCCCCSCC1COC1 62a_100000729493_100010264016 [0,1,0,1,0,0|2,0,0]=4 13151 B11R1.47 FCCCCSCC1COC1 62a_100010264016_100000729493 [0,1,0,1,0,0|2,0,0]=4 13152 B11R1.47 FCCCOCCC1COC1 34a_100009855314_100011934791 [0,1,0,1,0,0|2,0,0]=4 13153 B11R1.47 ICCCCCOC1COC1 34a_200012148887_100009818527 [0,1,0,1,0,0|2,0,0]=4 13154 B11R1.47 ICCCCCOC1COC1 7a_200012148887_100009818527 [0,1,0,1,0,0|2,0,0]=4 13155 B11R1.47 ICCCCOCC1CCO1 34a_200012148704_100000103362 [0,1,0,1,0,0|2,0,0]=4 13156 B11R1.47 ICCCCOCC1COC1 34a_200012148704_100010264016 [0,1,0,1,0,0|2,0,0]=4 13157 B11R1.47 NCCCCCOC1COC1 34a_100000762737_100009818527 [0,1,0,1,0,0|2,0,0]=4 13158 B11R1.47 NCCCCOCC1CCO1 34a_100000750430_100000103362 [0,1,0,1,0,0|2,0,0]=4 13159 B11R1.47 NCCCCOCC1COC1 34a_100000750430_100010264016 [0,1,0,1,0,0|2,0,0]=4 13160 B11R1.47 OCCCCCNC1COC1 2230a_100016991112_100000746330 [0,1,0,1,0,0|2,0,0]=4 13161 B11R1.47 OCCCCCNC1COC1 34a_100000762737_100009818527 [0,1,0,1,0,0|2,0,0]=4 13162 B11R1.47 OCCCCCSC1COC1 62a_100000746330_100009818527 [0,1,0,1,0,0|2,0,0]=4 13163 B11R1.47 OCCCCNCC1CCO1 2230a_100000750430_100000103362 [0,1,0,1,0,0|2,0,0]=4 13164 B11R1.47 OCCCCNCC1CCO1 34a_100000750430_100000103362 [0,1,0,1,0,0|2,0,0]=4 13165 B11R1.47 OCCCCNCC1COC1 2230a_100000750430_100010264016 [0,1,0,1,0,0|2,0,0]=4 13166 B11R1.47 OCCCCNCC1COC1 2230a_100015281925_100000210776 [0,1,0,1,0,0|2,0,0]=4 13167 B11R1.47 OCCCCNCC1COC1 34a_100000750430_100010264016 [0,1,0,1,0,0|2,0,0]=4 13168 B11R1.47 OCCCCNCC1COC1 34a_100015281925_100011216708 [0,1,0,1,0,0|2,0,0]=4 13169 B11R1.47 OCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210776 [0,1,0,1,0,0|2,0,0]=4 13170 B11R1.47 OCCCCNC[C@@H]1CCO1 34a_100020831831_100011216708 [0,1,0,1,0,0|2,0,0]=4 13171 B11R1.47 OCCCCOCC1CCO1 34a_100000039022_100011216708 [0,1,0,1,0,0|2,0,0]=4 13172 B11R1.47 OCCCCOCC1COC1 34a_100000060846_100011216708 [0,1,0,1,0,0|2,0,0]=4 13173 B11R1.47 OCCCCSCC1CCO1 62a_100000103362_100000210776 [0,1,0,1,0,0|2,0,0]=4 13174 B11R1.47 OCCCCSCC1CCO1 62a_100000210776_100000103362 [0,1,0,1,0,0|2,0,0]=4 13175 B11R1.47 OCCCCSCC1COC1 62a_100000210776_100010264016 [0,1,0,1,0,0|2,0,0]=4 13176 B11R1.47 OCCCCSCC1COC1 62a_100010264016_100000210776 [0,1,0,1,0,0|2,0,0]=4 13177 B11R1.47 OCCCOCCC1COC1 34a_100009855314_100000230001 [0,1,0,1,0,0|2,0,0]=4 13178 B11R1.59 CC(CO)N1CCC[C@@H]1CO 2230a_100000745186_100012180447 [0,1,0,1,0,0|2,0,0]=4 13179 B11R1.59 CC(CO)N1CCC[C@@H]1CO 34a_100000745186_100012180447 [0,1,0,1,0,0|2,0,0]=4 13180 B11R1.59 CCC(C)N1CCCC1CC 2230a_100000754278_100000758301 [0,1,0,1,0,0|2,0,0]=4 13181 B11R1.59 CCC(C)N1CCCC1CC 269982a_100000754278_100000758301 [0,1,0,1,0,0|2,0,0]=4 13182 B11R1.59 CCC(C)N1CCCC1CC 34a_100000754278_100011215416 [0,1,0,1,0,0|2,0,0]=4 13183 B11R1.59 CCC1CCCN1C(=O)CO 240690a_100000754278_100000210174 [0,1,0,1,0,0|0,0,2]=4 13184 B11R1.59 CCC1CCCN1C(=O)CO 527a_100000754278_100000210174 [0,1,0,1,0,0|0,0,2]=4 13185 B11R1.59 CCC1CCCN1C(C)CO 2230a_100000754278_100012180447 [0,1,0,1,0,0|1,0,0]=3 13186 B11R1.59 CCC1CCCN1C(C)CO 34a_100000754278_100012180447 [0,1,0,1,0,0|1,0,0]=3 13187 B11R1.59 CCC1CCCN1[C@H](C)CO 269982a_100000754278_100016084084 [0,1,0,1,0,0|1,0,0]=3 13188 B11R1.59 C[C@H](CO)N1CCC[C@@H]1CO 269982a_100000745186_100016084084 [0,1,0,1,0,0|2,0,0]=4 13189 B11R1.115 COCC1CCN1C(C)CO 2230a_100015195929_100012180447 [0,1,0,1,0,0|2,0,0]=4 13190 B11R1.115 COCC1CCN1C(C)CO 34a_100015195929_100012180447 [0,1,0,1,0,0|2,0,0]=4 13191 B11R1.115 COCC1CCN1[C@H](C)CO 269982a_100015195929_100016084084 [0,1,0,1,0,0|2,0,0]=4 13192 B11R1.194 CCCN1CCC[C@@]1(C)CO 2230a_100016195882_100000210303 [0,1,0,1,0,0|1,0,0]=3 13193 B11R1.194 CCCN1CCC[C@@]1(C)CO 269982a_100016195882_100000210303 [0,1,0,1,0,0|1,0,0]=3 13194 B11R1.194 CCCN1CCC[C@@]1(C)CO 34a_100016195882_100000210303 [0,1,0,1,0,0|1,0,0]=3 13195 B11R1.194 COCN1CCC[C@@]1(C)CO 2230a_100016195882_100000766300 [0,1,0,1,0,0|2,0,0]=4 13196 B11R1.194 COCN1CCC[C@@]1(C)CO 269982a_100016195882_100000766300 [0,1,0,1,0,0|2,0,0]=4 13197 B11R1.194 CSCN1CCC[C@@]1(C)CO 2230a_100016195882_100011218213 [0,1,0,1,0,0|2,0,0]=4 13198 B11R1.194 CSCN1CCC[C@@]1(C)CO 269982a_100016195882_100011218213 [0,1,0,1,0,0|2,0,0]=4 13199 B11R1.194 CSCN1CCC[C@@]1(C)CO 34a_100016195882_100011218213 [0,1,0,1,0,0|2,0,0]=4 13200 B11R1.194 C[C@]1(CCCN1CCF)CO 2230a_100016195882_100011217306 [0,1,0,1,0,0|2,0,0]=4 13201 B11R1.194 C[C@]1(CCCN1CCF)CO 269982a_100016195882_100011217306 [0,1,0,1,0,0|2,0,0]=4 13202 B11R1.194 C[C@]1(CCCN1CCF)CO 34a_100016195882_100011217306 [0,1,0,1,0,0|2,0,0]=4 13203 B11R1.194 C[C@]1(CCCN1CCO)CO 2230a_100016195882_100000211926 [0,1,0,1,0,0|2,0,0]=4 13204 B11R1.194 C[C@]1(CCCN1CCO)CO 269982a_100016195882_100000211926 [0,1,0,1,0,0|2,0,0]=4 13205 B11R1.194 C[C@]1(CCCN1CCO)CO 34a_100016195882_100000211926 [0,1,0,1,0,0|2,0,0]=4 13206 B11R1.228 C=CC(O)CN1CCC[C@@H]1C 2230a_100020605311_100000730141 [0,1,0,1,0,0|1,0,1]=4 13207 B11R1.228 C=CC(O)CN1CCC[C@H]1C 2230a_100015189458_100000730141 [0,1,0,1,0,0|1,0,1]=4 13208 B11R1.228 C=CC(O)CN1CCC[C@H]1C 34a_100015189458_100000730141 [0,1,0,1,0,0|1,0,1]=4 13209 B11R1.228 CC(CO)OC1CCCC1C 34a_100011216460_100012180447 [0,1,0,1,0,0|1,0,0]=3 13210 B11R1.228 CC(CO)OC1CCCC1C 7a_100011216460_100012180447 [0,1,0,1,0,0|1,0,0]=3 13211 B11R1.228 CC(CO)O[C@@H]1CCC[C@H]1Cl 34a_200016002552_100012180447 [0,1,0,1,0,0|2,0,0]=4 13212 B11R1.228 CC(CO)O[C@H]1CCC[C@@H]1N 34a_100000748460_100012180447 [0,1,0,1,0,0|2,0,0]=4 13213 B11R1.228 CC(CO)O[C@H]1CNC[C@H]1C 34a_200015306588_100012180447 [0,1,0,1,0,0|2,0,0]=4 13214 B11R1.228 CC(CO)S[C@@H]1CCC[C@H]1O 62a_100012180447_200016002552 [0,1,0,1,0,0|2,0,0]=4 13215 B11R1.228 CC1CCCC1N[C@H](C)CF 269862a_100102880703_100000752053 [0,1,0,1,0,0|2,0,0]=4 13216 B11R1.228 CC1CCCC1N[C@H](C)CO 269862a_100000737577_100000752053 [0,1,0,1,0,0|1,0,0]=3 13217 B11R1.228 CC1OCCC1N[C@H](C)CO 270004a_100000737577_100000691750 [0,1,0,1,0,0|2,0,0]=4 13218 B11R1.228 CC1SCCN1CC(O)CO 2230a_200011216479_100011219619 [0,1,0,1,0,0|1,0,0]=3 13219 B11R1.228 CC1SCCN1CC(O)CO 34a_200011216479_100011219619 [0,1,0,1,0,0|1,0,0]=3 13220 B11R1.228 CC1SCCN1C[C@@H](C)CO 2230a_200011216479_100000059175 [0,1,0,1,0,0|2,0,0]=4 13221 B11R1.228 CC1SCCN1C[C@@H](C)CO 269982a_200011216479_100000059175 [0,1,0,1,0,0|2,0,0]=4 13222 B11R1.228 CC1SCCN1C[C@@H](C)CO 34a_200011216479_100000059175 [0,1,0,1,0,0|2,0,0]=4 13223 B11R1.228 CC1SCCN1C[C@@H](O)CF 2230a_200011216479_100015614560 [0,1,0,1,0,0|2,0,0]=4 13224 B11R1.228 CC1SCCN1C[C@@H](O)CF 34a_200011216479_100015614560 [0,1,0,1,0,0|2,0,0]=4 13225 B11R1.228 CC1SCCN1C[C@@H](O)CO 2230a_200011216479_100009815848 [0,1,0,1,0,0|1,0,0]=3 13226 B11R1.228 CC1SCCN1C[C@@H](O)CO 34a_200011216479_100009815848 [0,1,0,1,0,0|1,0,0]=3 13227 B11R1.228 CCC(C)CN1CCC[C@@H]1C 2230a_100020605311_100000748023 [0,1,0,1,0,0|2,0,0]=4 13228 B11R1.228 CCC(C)CN1CCC[C@@H]1C 269982a_100020605311_100000748023 [0,1,0,1,0,0|2,0,0]=4 13229 B11R1.228 CCC(C)CN1CCC[C@@H]1C 270004a_100020605311_100000243153 [0,1,0,1,0,0|2,0,0]=4 13230 B11R1.228 CCC(C)CN1CCC[C@H]1C 2230a_100015189458_100000748023 [0,1,0,1,0,0|2,0,0]=4 13231 B11R1.228 CCC(C)CN1CCC[C@H]1C 269982a_100015189458_100000748023 [0,1,0,1,0,0|2,0,0]=4 13232 B11R1.228 CCC(C)CN1CCC[C@H]1C 270004a_100015189458_100000243153 [0,1,0,1,0,0|2,0,0]=4 13233 B11R1.228 CCC(C)CN1CCC[C@H]1C 34a_100015189458_100000748023 [0,1,0,1,0,0|2,0,0]=4 13234 B11R1.228 CCC(C)NC1CCCC1C 269862a_100000209981_100000752053 [0,1,0,1,0,0|2,0,0]=4 13235 B11R1.228 CCC(C)OC1CCCC1C 34a_100011216460_100011215416 [0,1,0,1,0,0|2,0,0]=4 13236 B11R1.228 CCC(C)OC1CCCC1C 7a_100011216460_100000758301 [0,1,0,1,0,0|2,0,0]=4 13237 B11R1.228 CCC(O)CN1CCC[C@@H]1C 2230a_100020605311_100011218378 [0,1,0,1,0,0|1,0,0]=3 13238 B11R1.228 CCC(O)CN1CCC[C@@H]1C 269982a_100020605311_100011218378 [0,1,0,1,0,0|1,0,0]=3 13239 B11R1.228 CCC(O)CN1CCC[C@H]1C 2230a_100015189458_100011218378 [0,1,0,1,0,0|1,0,0]=3 13240 B11R1.228 CCC(O)CN1CCC[C@H]1C 269982a_100015189458_100011218378 [0,1,0,1,0,0|1,0,0]=3 13241 B11R1.228 CCC(O)CN1CCC[C@H]1C 34a_100015189458_100011218378 [0,1,0,1,0,0|1,0,0]=3 13242 B11R1.228 CCC(O)CN1CCSC1C 2230a_200011216479_100011218378 [0,1,0,1,0,0|2,0,0]=4 13243 B11R1.228 CCC(O)CN1CCSC1C 269982a_200011216479_100011218378 [0,1,0,1,0,0|2,0,0]=4 13244 B11R1.228 CCC(O)CN1CCSC1C 34a_200011216479_100011218378 [0,1,0,1,0,0|2,0,0]=4 13245 B11R1.228 CC[C@H](C)CN1CCC[C@@H]1C 2230a_100020605311_100009816398 [0,1,0,1,0,0|2,0,0]=4 13246 B11R1.228 CC[C@H](C)CN1CCC[C@@H]1C 269982a_100020605311_100009816398 [0,1,0,1,0,0|2,0,0]=4 13247 B11R1.228 CC[C@H](C)CN1CCC[C@H]1C 2230a_100015189458_100009816398 [0,1,0,1,0,0|2,0,0]=4 13248 B11R1.228 CC[C@H](C)CN1CCC[C@H]1C 269982a_100015189458_100009816398 [0,1,0,1,0,0|2,0,0]=4 13249 B11R1.228 CC[C@H](C)CN1CCC[C@H]1C 34a_100015189458_100009816398 [0,1,0,1,0,0|2,0,0]=4 13250 B11R1.228 C[C@@H](CO)CN1CCC[C@@H]1C 2230a_100020605311_100000059175 [0,1,0,1,0,0|1,0,0]=3 13251 B11R1.228 C[C@@H](CO)CN1CCC[C@@H]1C 269982a_100020605311_100000059175 [0,1,0,1,0,0|1,0,0]=3 13252 B11R1.228 C[C@@H](CO)CN1CCC[C@H]1C 2230a_100015189458_100000059175 [0,1,0,1,0,0|1,0,0]=3 13253 B11R1.228 C[C@@H](CO)CN1CCC[C@H]1C 269982a_100015189458_100000059175 [0,1,0,1,0,0|1,0,0]=3 13254 B11R1.228 C[C@@H](CO)CN1CCC[C@H]1C 34a_100015189458_100000059175 [0,1,0,1,0,0|1,0,0]=3 13255 B11R1.228 C[C@@H]1CCCN1CC(O)CO 2230a_100015189458_100011219619 [0,1,0,1,0,0|0,0,0]=2 13256 B11R1.228 C[C@@H]1CCCN1CC(O)CO 34a_100015189458_100011219619 [0,1,0,1,0,0|0,0,0]=2 13257 B11R1.228 C[C@@H]1CCCN1C[C@@H](O)CF 2230a_100015189458_100015614560 [0,1,0,1,0,0|1,0,0]=3 13258 B11R1.228 C[C@@H]1CCCN1C[C@@H](O)CF 34a_100015189458_100015614560 [0,1,0,1,0,0|1,0,0]=3 13259 B11R1.228 C[C@@H]1CCCN1C[C@@H](O)CO 2230a_100015189458_100009815848 [0,1,0,1,0,0|0,0,0]=2 13260 B11R1.228 C[C@@H]1CCCN1C[C@@H](O)CO 34a_100015189458_100009815848 [0,1,0,1,0,0|0,0,0]=2 13261 B11R1.228 C[C@H](CO)S[C@@H]1CCC[C@H]1O 62a_100016084084_200016002552 [0,1,0,1,0,0|2,0,0]=4 13262 B11R1.228 C[C@H](CO)S[C@@H]1CCC[C@H]1O 62a_200016002552_100016084084 [0,1,0,1,0,0|2,0,0]=4 13263 B11R1.228 C[C@H]1CCCN1CC(O)CO 2230a_100020605311_100011219619 [0,1,0,1,0,0|0,0,0]=2 13264 B11R1.228 C[C@H]1CCCN1C[C@@H](O)CF 2230a_100020605311_100015614560 [0,1,0,1,0,0|1,0,0]=3 13265 B11R1.228 C[C@H]1CCCN1C[C@@H](O)CO 2230a_100020605311_100009815848 [0,1,0,1,0,0|0,0,0]=2 13266 B11R1.320 CC1(CO1)CNCCCCO 34a_100000750430_100000760498 [0,1,0,1,0,0|2,0,0]=4 13267 B11R1.320 CC1(CO1)COCCCCBr 34a_100011216708_100000760498 [0,1,0,1,0,0|2,0,0]=4 13268 B11R1.320 CC1(CO1)COCCCCCl 34a_100000210776_100000760498 [0,1,0,1,0,0|2,0,0]=4 13269 B11R1.320 CC1(CO1)COCCCCF 34a_100011995726_100000760498 [0,1,0,1,0,0|2,0,0]=4 13270 B11R1.320 CC1(CO1)COCCCCI 34a_200012148704_100000760498 [0,1,0,1,0,0|2,0,0]=4 13271 B11R1.320 CC1(CO1)COCCCCN 34a_100000750430_100000760498 [0,1,0,1,0,0|2,0,0]=4 13272 B11R1.320 CC1(CO1)CSCCCCF 62a_100000729493_100000760498 [0,1,0,1,0,0|2,0,0]=4 13273 B11R1.320 CC1(CO1)CSCCCCF 62a_100000760498_100000729493 [0,1,0,1,0,0|2,0,0]=4 13274 B11R1.320 CC1(CO1)CSCCCCO 62a_100000210776_100000760498 [0,1,0,1,0,0|2,0,0]=4 13275 B11R1.320 CC1(CO1)CSCCCCO 62a_100000760498_100000210776 [0,1,0,1,0,0|2,0,0]=4 13276 B11R1.320 CCCCCCNC1(CC1)C 2230a_100000757604_100000210314 [0,1,0,1,0,0|2,0,0]=4 13277 B11R1.320 CCCCCCOC1(CC1)C 7a_100011725673_100000210314 [0,1,0,1,0,0|2,0,0]=4 13278 B11R1.320 CCCCCNCC1(CC1)C 2230a_100000766693_100000210326 [0,1,0,1,0,0|2,0,0]=4 13279 B11R1.320 CCCCCNCC1(CC1)O 2230a_100011936951_100000210326 [0,1,0,1,0,0|1,0,0]=3 13280 B11R1.320 CCCCCOCC1(CC1)C 7a_100000698024_100000210326 [0,1,0,1,0,0|2,0,0]=4 13281 B11R1.320 CCCCCOCC1(CC1)F 34a_200000703853_100000718602 [0,1,0,1,0,0|2,0,0]=4 13282 B11R1.320 CCCCCOCC1(CC1)F 7a_200000703853_100000210326 [0,1,0,1,0,0|2,0,0]=4 13283 B11R1.320 CCCCCOCC1(CO1)C 34a_100000210253_100000760498 [0,1,0,1,0,0|1,0,0]=3 13284 B11R1.320 CCCCCSCC1(CO1)C 62a_100000210326_100000760498 [0,1,0,1,0,0|1,0,0]=3 13285 B11R1.320 CCCCCSCC1(CO1)C 62a_100000760498_100000210326 [0,1,0,1,0,0|1,0,0]=3 13286 B11R1.320 CCOCCNCC1(CC1)O 2230a_100011936951_100011215890 [0,1,0,1,0,0|2,0,0]=4 13287 B11R1.320 CCOCCNCC1(CO1)C 34a_102516460346_100000760498 [0,1,0,1,0,0|2,0,0]=4 13288 B11R1.320 CCOCCOCC1(CO1)C 34a_100000210136_100000760498 [0,1,0,1,0,0|2,0,0]=4 13289 B11R1.320 CCOCCSCC1(CO1)C 62a_100000210147_100000760498 [0,1,0,1,0,0|2,0,0]=4 13290 B11R1.320 CCOCCSCC1(CO1)C 62a_100000760498_100011215890 [0,1,0,1,0,0|2,0,0]=4 13291 B11R1.320 CCSCCNCC1(CC1)O 2230a_100011936951_100000757381 [0,1,0,1,0,0|2,0,0]=4 13292 B11R1.320 CCSCCOCC1(CO1)C 34a_100000212035_100000760498 [0,1,0,1,0,0|2,0,0]=4 13293 B11R1.320 CCSCCSCC1(CO1)C 62a_100000757381_100000760498 [0,1,0,1,0,0|2,0,0]=4 13294 B11R1.320 CCSCCSCC1(CO1)C 62a_100000760498_100000757381 [0,1,0,1,0,0|2,0,0]=4 13295 B11R1.320 CNCCCOCC1(CO1)C 34a_100000213112_100000760498 [0,1,0,1,0,0|2,0,0]=4 13296 B11R1.320 COCCCNCC1(CC1)O 2230a_100011936951_100000740836 [0,1,0,1,0,0|2,0,0]=4 13297 B11R1.320 COCCCNCC1(CO1)C 34a_100150723488_100000760498 [0,1,0,1,0,0|2,0,0]=4 13298 B11R1.320 COCCCOCC1(CO1)C 34a_100000740835_100000760498 [0,1,0,1,0,0|2,0,0]=4 13299 B11R1.320 COCCCSCC1(CO1)C 62a_100000709357_100000760498 [0,1,0,1,0,0|2,0,0]=4 13300 B11R1.320 COCCCSCC1(CO1)C 62a_100000760498_100000709357 [0,1,0,1,0,0|2,0,0]=4 13301 B11R1.320 CSCCCOCC1(CO1)C 34a_100000690336_100000760498 [0,1,0,1,0,0|2,0,0]=4 13302 B11R1.320 OC1(CC1)CNCCCCF 2230a_100011936951_100000729493 [0,1,0,1,0,0|2,0,0]=4 13303 B11R1.320 OCCCCNCC1(CC1)O 2230a_100011936951_100000210776 [0,1,0,1,0,0|2,0,0]=4 13304 B11R1.383 CCN1CCOCC(C1)CO 2230a_100103147999_100000210202 [0,1,0,1,0,0|2,0,0]=4 13305 B11R1.383 CCN1CCOCC(C1)CO 269982a_100103147999_100000204670 [0,1,0,1,0,0|2,0,0]=4 13306 B11R1.383 CCN1CCOCC(C1)CO 34a_100103147999_100000210202 [0,1,0,1,0,0|2,0,0]=4 13307 B11R1.757 CCCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210326 [0,1,0,1,0,0|1,0,0]=3 13308 B11R1.757 CCCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210215 [0,1,0,1,0,0|1,0,0]=3 13309 B11R1.757 CCOCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100011215890 [0,1,0,1,0,0|2,0,0]=4 13310 B11R1.757 CCOCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100011215890 [0,1,0,1,0,0|2,0,0]=4 13311 B11R1.757 CCSCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000757381 [0,1,0,1,0,0|2,0,0]=4 13312 B11R1.757 CCSCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000757381 [0,1,0,1,0,0|2,0,0]=4 13313 B11R1.757 COCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000740836 [0,1,0,1,0,0|2,0,0]=4 13314 B11R1.757 COCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000740836 [0,1,0,1,0,0|2,0,0]=4 13315 B11R1.757 C[C@H]1[C@H](CN1CCCCF)O 2230a_206633788156_100000729493 [0,1,0,1,0,0|2,0,0]=4 13316 B11R1.757 C[C@H]1[C@H](CN1CCCCF)O 269982a_206633788156_100000729493 [0,1,0,1,0,0|2,0,0]=4 13317 B11R1.757 C[C@H]1[C@H](CN1CCCCO)O 2230a_206633788156_100000210776 [0,1,0,1,0,0|2,0,0]=4 13318 B11R1.757 C[C@H]1[C@H](CN1CCCCO)O 269982a_206633788156_100000210776 [0,1,0,1,0,0|2,0,0]=4 13319 B11R1.759 CCCCCN1CC(C1)CC 2230a_100015205115_100000210326 [0,1,0,1,0,0|2,0,0]=4 13320 B11R1.759 CCCCCN1CC(C1)CC 269982a_100015205115_100000210215 [0,1,0,1,0,0|2,0,0]=4 13321 B11R1.759 CCCCCN1CC(C1)CF 269982a_100010363649_100000210215 [0,1,0,1,0,0|2,0,0]=4 13322 B11R1.759 CCCCCN1CC(C1)CF 34a_100010363649_100000718602 [0,1,0,1,0,0|2,0,0]=4 13323 B11R1.759 CCCCCN1CC(C1)CO 269982a_100016987283_100000210215 [0,1,0,1,0,0|1,0,0]=3 13324 B11R1.759 CCCCCN1CC(C1)CO 34a_100016987283_100000718602 [0,1,0,1,0,0|1,0,0]=3 13325 B11R1.759 CCCCNC1CC(C1)CO 270004a_100000102301_100000101936 [0,1,0,1,0,0|1,0,0]=3 13326 B11R1.759 CCCCSC1CC(C1)CO 62a_100000210211_100009874164 [0,1,0,1,0,0|1,0,0]=3 13327 B11R1.759 CCCCSC1CC(C1)CO 62a_100009874164_100000210210 [0,1,0,1,0,0|1,0,0]=3 13328 B11R1.759 CCOCCN1CC(C1)CO 269982a_100016987283_100011215890 [0,1,0,1,0,0|2,0,0]=4 13329 B11R1.759 CCOCCN1CC(C1)CO 34a_100016987283_100000210147 [0,1,0,1,0,0|2,0,0]=4 13330 B11R1.759 CCOCSC1CC(C1)CO 62a_100000739092_100009874164 [0,1,0,1,0,0|2,0,0]=4 13331 B11R1.759 CCOCSC1CC(C1)CO 62a_100009874164_100000739092 [0,1,0,1,0,0|2,0,0]=4 13332 B11R1.759 CCSCCN1CC(C1)CO 269982a_100016987283_100000757381 [0,1,0,1,0,0|2,0,0]=4 13333 B11R1.759 CCSCCN1CC(C1)CO 34a_100016987283_100000757381 [0,1,0,1,0,0|2,0,0]=4 13334 B11R1.759 COCCCN1CC(C1)CO 269982a_100016987283_100000740836 [0,1,0,1,0,0|2,0,0]=4 13335 B11R1.759 COCCCN1CC(C1)CO 34a_100016987283_100000740836 [0,1,0,1,0,0|2,0,0]=4 13336 B11R1.759 COCCNC1CC(C1)CO 270004a_100000209980_100000101936 [0,1,0,1,0,0|2,0,0]=4 13337 B11R1.759 COCCSC1CC(C1)CO 62a_100000233755_100009874164 [0,1,0,1,0,0|2,0,0]=4 13338 B11R1.759 COCCSC1CC(C1)CO 62a_100009874164_100000233755 [0,1,0,1,0,0|2,0,0]=4 13339 B11R1.759 CSCCNC1CC(C1)CO 270004a_100020590264_100000101936 [0,1,0,1,0,0|2,0,0]=4 13340 B11R1.759 CSCCSC1CC(C1)CO 62a_100000212216_100009874164 [0,1,0,1,0,0|2,0,0]=4 13341 B11R1.759 CSCCSC1CC(C1)CO 62a_100009874164_100000751147 [0,1,0,1,0,0|2,0,0]=4 13342 B11R1.759 OCC1CC(C1)NCCCF 270004a_100015189416_100000101936 [0,1,0,1,0,0|2,0,0]=4 13343 B11R1.759 OCC1CC(C1)SCCCF 62a_100009874164_100011934791 [0,1,0,1,0,0|2,0,0]=4 13344 B11R1.759 OCC1CC(C1)SCCCF 62a_100011934791_100009874164 [0,1,0,1,0,0|2,0,0]=4 13345 B11R1.759 OCC1CN(C1)CCCCF 269982a_100016987283_100000729493 [0,1,0,1,0,0|2,0,0]=4 13346 B11R1.759 OCC1CN(C1)CCCCF 34a_100016987283_100000729493 [0,1,0,1,0,0|2,0,0]=4 13347 B11R1.759 OCCCCN1CC(C1)CO 269982a_100016987283_100000210776 [0,1,0,1,0,0|2,0,0]=4 13348 B11R1.759 OCCCCN1CC(C1)CO 34a_100016987283_100011216708 [0,1,0,1,0,0|2,0,0]=4 13349 B11R1.759 OCCCNC1CC(C1)CO 270004a_100000182051_100000101936 [0,1,0,1,0,0|2,0,0]=4 13350 B11R1.759 OCCCSC1CC(C1)CO 62a_100009874164_100011215043 [0,1,0,1,0,0|2,0,0]=4 13351 B11R1.759 OCCCSC1CC(C1)CO 62a_100011215043_100009874164 [0,1,0,1,0,0|2,0,0]=4 13352 B11R1.852 CC(CO)N1CCCCCC1 2230a_100000185865_100012180447 [0,1,0,1,0,0|1,0,0]=3 13353 B11R1.852 CC(CO)N1CCCCCC1 34a_100000185865_100012180447 [0,1,0,1,0,0|1,0,0]=3 13354 B11R1.852 CC(CO)N1CCCOCC1 2230a_100000685342_100012180447 [0,1,0,1,0,0|2,0,0]=4 13355 B11R1.852 CC(CO)N1CCCOCC1 34a_100000685342_100012180447 [0,1,0,1,0,0|2,0,0]=4 13356 B11R1.852 CCC(C)N1CCCCCC1 2230a_100000185865_100000758301 [0,1,0,1,0,0|2,0,0]=4 13357 B11R1.852 CCC(C)N1CCCCCC1 269982a_100000185865_100000758301 [0,1,0,1,0,0|2,0,0]=4 13358 B11R1.852 CCC(C)N1CCCCCC1 34a_100000185865_100011215416 [0,1,0,1,0,0|2,0,0]=4 13359 B11R1.852 C[C@H](CO)N1CCCCCC1 269982a_100000185865_100016084084 [0,1,0,1,0,0|1,0,0]=3 13360 B11R1.852 C[C@H](CO)N1CCCOCC1 269982a_100000685342_100016084084 [0,1,0,1,0,0|2,0,0]=4 13361 B11R1.852 O=C(CO)C1CCCCCC1 1458a_100000210174_100011217769 [0,1,0,1,0,0|0,0,2]=4 13362 B11R1.852 O=C(CO)N1CCCCCC1 240690a_100000185865_100000210174 [0,1,0,1,0,0|0,0,2]=4 13363 B11R1.852 O=C(CO)N1CCCCCC1 527a_100000185865_100000210174 [0,1,0,1,0,0|0,0,2]=4 13364 B11R1.35 C[C@@H](O)C(=O)CC1CCCC1 1458a_100000717761_100000740388 [0,1,0,1,0,0|0,0,2]=4 13365 B11R1.35 C[C@H](O)C(=O)CC1CCCC1 1458a_217856618621_100000740388 [0,1,0,1,0,0|0,0,2]=4 13366 B11R1.35 O=C(CC1CCCC1)C(O)O 1458a_100000233687_100000740388 [0,1,0,1,0,0|0,0,2]=4 13367 B11R1.36 CC(=O)C(O)C1CCCCC1 1458a_100000242593_200000210301 [0,1,0,1,0,0|0,0,2]=4 13368 B11R1.36 C[C@@H](O)C(=O)C1CCCCC1 1458a_100000717761_100000210327 [0,1,0,1,0,0|0,0,2]=4 13369 B11R1.36 C[C@H](O)C(=O)C1CCCCC1 1458a_217856618621_100000210327 [0,1,0,1,0,0|0,0,2]=4 13370 B11R1.36 O=C(C(O)O)C1CCCCC1 1458a_100000233687_100000210327 [0,1,0,1,0,0|0,0,2]=4 13371 B11R1.36 [13CH3]C(=O)C(O)C1CCCCC1 1458a_100000242593_200025704644 [0,1,0,1,0,0|0,0,2]=4 13372 B11R1.192 CCCN1CCC(C(C1)C)O 2230a_100011998114_100000210303 [0,1,0,1,0,0|2,0,0]=4 13373 B11R1.192 CCCN1CCC(C(C1)C)O 269982a_100011998114_100000210303 [0,1,0,1,0,0|2,0,0]=4 13374 B11R1.192 CCCN1CCC(C(C1)O)C 2230a_100000696640_100000210303 [0,1,0,1,0,0|2,0,0]=4 13375 B11R1.192 CCCN1CCC(C(C1)O)C 269982a_100000696640_100000210303 [0,1,0,1,0,0|2,0,0]=4 13376 B11R1.192 CCCN1CC[C@H]([C@H](C1)F)O 2230a_200016994291_100000210303 [0,1,0,1,0,0|2,0,0]=4 13377 B11R1.192 CCCN1CC[C@H]([C@H](C1)F)O 269982a_200016994291_100000210303 [0,1,0,1,0,0|2,0,0]=4 13378 B11R1.192 CCCN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_100000210303 [0,1,0,1,0,0|1,0,0]=3 13379 B11R1.192 CCCN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_100000210303 [0,1,0,1,0,0|1,0,0]=3 13380 B11R1.192 COCN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_100000766300 [0,1,0,1,0,0|2,0,0]=4 13381 B11R1.192 COCN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_100000766300 [0,1,0,1,0,0|2,0,0]=4 13382 B11R1.192 CSCN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_100011218213 [0,1,0,1,0,0|2,0,0]=4 13383 B11R1.192 CSCN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_100011218213 [0,1,0,1,0,0|2,0,0]=4 13384 B11R1.192 OCCN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_100000211926 [0,1,0,1,0,0|2,0,0]=4 13385 B11R1.192 OCCN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_100000211926 [0,1,0,1,0,0|2,0,0]=4 13386 B11R1.192 O[C@@H]1CCN(C[C@@H]1O)CCF 2230a_100000690696_100011217306 [0,1,0,1,0,0|2,0,0]=4 13387 B11R1.192 O[C@@H]1CCN(C[C@@H]1O)CCF 269982a_100000690696_100011217306 [0,1,0,1,0,0|2,0,0]=4 13388 B11R1.332 CC(C)C(O)CNC1CCC1 270004a_100000759067_100000241760 [0,1,0,1,0,0|2,0,0]=4 13389 B11R1.332 CC(C)C(O)CNC1CCC1 34a_100000759067_100000749161 [0,1,0,1,0,0|2,0,0]=4 13390 B11R1.333 CC(C)C(O)CNCC1CC1 2230a_100000759067_100000742324 [0,1,0,1,0,0|2,0,0]=4 13391 B11R1.333 CC(C)C(O)CNCC1CC1 269862a_100000759067_100000741477 [0,1,0,1,0,0|2,0,0]=4 13392 B11R1.333 CC(C)C(O)CNCC1CC1 34a_100000759067_100000742324 [0,1,0,1,0,0|2,0,0]=4 13393 B11R1.898 CCCCOCC1OC1(C)C 34a_200010283642_100000210210 [0,1,0,1,0,0|2,0,0]=4 13394 B11R1.898 CCCCOCC1OC1(C)C 7a_200010283642_100000210211 [0,1,0,1,0,0|2,0,0]=4 13395 B11R1.31 CC(CO)N(C)C1CCCC1 2230a_100000207505_100012180447 [0,1,0,1,0,0|2,0,0]=4 13396 B11R1.31 CC(CO)N(C)C1CCCC1 2230a_100000693034_100000179811 [0,1,0,1,0,0|2,0,0]=4 13397 B11R1.31 CC(CO)N(C)C1CCCC1 269982a_100000693034_100000179811 [0,1,0,1,0,0|2,0,0]=4 13398 B11R1.31 CC(CO)N(C)C1CCCC1 270004a_100000693034_100000210133 [0,1,0,1,0,0|2,0,0]=4 13399 B11R1.31 CC(CO)N(C)C1CCCC1 34a_100000207505_100012180447 [0,1,0,1,0,0|2,0,0]=4 13400 B11R1.31 CCC(O)C(=O)C1CCCC1 1458a_100011196387_100000179811 [0,1,0,1,0,0|1,0,1]=4 13401 B11R1.31 C[C@H](CO)N(C)C1CCCC1 269982a_100000207505_100016084084 [0,1,0,1,0,0|2,0,0]=4 13402 B11R1.31 O=C(C(O)CO)C1CCCC1 1458a_100011215603_100000179811 [0,1,0,1,0,0|0,0,1]=3 13403 B11R1.31 O=C(C(O)CO)C1CCOC1 1458a_100011215603_100000690089 [0,1,0,1,0,0|1,0,1]=4 13404 B11R1.31 O=C(C(O)CO)N1CCCC1 240690a_100000188435_100011215603 [0,1,0,1,0,0|1,0,1]=4 13405 B11R1.293 CC(CO)N(C)CC1CCC1 2230a_100000693034_100000763275 [0,1,0,1,0,0|2,0,0]=4 13406 B11R1.293 CC(CO)N(C)CC1CCC1 2230a_200000750244_100012180447 [0,1,0,1,0,0|2,0,0]=4 13407 B11R1.293 CC(CO)N(C)CC1CCC1 269982a_100000693034_100000763275 [0,1,0,1,0,0|2,0,0]=4 13408 B11R1.293 CC(CO)N(C)CC1CCC1 34a_200000750244_100012180447 [0,1,0,1,0,0|2,0,0]=4 13409 B11R1.293 CCC(O)C(=O)CC1CCC1 1458a_100011196387_100000763275 [0,1,0,1,0,0|1,0,1]=4 13410 B11R1.293 C[C@H](CO)N(C)CC1CCC1 269982a_200000750244_100016084084 [0,1,0,1,0,0|2,0,0]=4 13411 B11R1.293 O=C(CC1CCC1)C(O)CO 1458a_100011215603_100000763275 [0,1,0,1,0,0|0,0,1]=3 13412 B11R1.293 O=C(CC1CCO1)C(O)CO 1458a_100011215603_100000103362 [0,1,0,1,0,0|1,0,1]=4 13413 B11R1.293 O=C(CC1COC1)C(O)CO 1458a_100011215603_100010264016 [0,1,0,1,0,0|1,0,1]=4 13414 B11R1.293 O=C(NC1CCC1)C(O)CO 240690a_100000749019_100011215603 [0,1,0,1,0,0|1,0,1]=4 13415 B11R1.294 CC(CO)N(C)CCC1CC1 2230a_100000693034_100000694398 [0,1,0,1,0,0|2,0,0]=4 13416 B11R1.294 CC(CO)N(C)CCC1CC1 269982a_100000693034_100000694398 [0,1,0,1,0,0|2,0,0]=4 13417 B11R1.294 CCC(O)C(=O)CCC1CC1 1458a_100011196387_100000694398 [0,1,0,1,0,0|1,0,1]=4 13418 B11R1.294 O=C(CCC1CC1)C(O)CO 1458a_100011215603_100000694398 [0,1,0,1,0,0|0,0,1]=3 13419 B11R1.294 O=C(CCC1CO1)C(O)CO 1458a_100011215603_100000732470 [0,1,0,1,0,0|1,0,1]=4 13420 B11R1.294 O=C(NCC1CC1)C(O)CO 240690a_100000735609_100011215603 [0,1,0,1,0,0|1,0,1]=4 13421 B11R1.295 CC1CCN1C(=O)C(O)CO 240690a_100000755817_100011215603 [0,1,0,1,0,0|1,0,1]=4 13422 B11R1.299 CCCCCC(=O)C1CCO1 1458a_100000089072_100000210326 [0,1,0,1,0,0|1,0,1]=4 13423 B11R1.299 CCCCCC(=O)C1COC1 1458a_100000212188_100000687716 [0,1,0,1,0,0|1,0,1]=4 13424 B11R1.299 CCCCCC(=O)C1COC1 1458a_100000758290_100000210326 [0,1,0,1,0,0|1,0,1]=4 13425 B11R1.299 CCCCCN(C)C1COC1 2230a_100102693430_100000210326 [0,1,0,1,0,0|2,0,0]=4 13426 B11R1.299 CCCCCN(C)C1COC1 269982a_100000223495_100000687716 [0,1,0,1,0,0|2,0,0]=4 13427 B11R1.299 CCCCCN(C)C1COC1 269982a_100102693430_100000210215 [0,1,0,1,0,0|2,0,0]=4 13428 B11R1.299 CCCOC[C@@H](N)C1COC1 34a_217856628679_100000210303 [0,1,0,1,0,0|2,0,0]=4 13429 B11R1.300 CCCCCC(=O)C1(CC1)O 1458a_100000241761_100000210326 [0,1,0,1,0,0|1,0,1]=4 13430 B11R1.15 CCCC(=O)C1CCC(C1)O 1458a_100000688591_100000210303 [0,1,0,1,0,0|1,0,1]=4 13431 B11R1.15 CCCC(C)N1CCC(C1)O 2230a_100011215560_100000766640 [0,1,0,1,0,0|2,0,0]=4 13432 B11R1.15 CCCC(C)N1CCC(C1)O 269982a_100011215560_100000766640 [0,1,0,1,0,0|2,0,0]=4 13433 B11R1.15 CCCC(C)N1CCC(C1)O 270004a_100011215560_100000211909 [0,1,0,1,0,0|2,0,0]=4 13434 B11R1.15 CCCN(C)C1CCC(C1)O 270004a_100000747261_100012614533 [0,1,0,1,0,0|2,0,0]=4 13435 B11R1.338 CCCC(C)NCC1(CC1)O 2230a_100011936951_100000766640 [0,1,0,1,0,0|2,0,0]=4 13436 B11R1.338 CCCC(C)NCC1(CC1)O 270004a_100011936951_100000211909 [0,1,0,1,0,0|2,0,0]=4 13437 B11R1.338 CCCC(C)OCC1(CO1)C 34a_100000764384_100000760498 [0,1,0,1,0,0|2,0,0]=4 13438 B11R1.338 CCCC(C)SCC1(CO1)C 62a_100000760498_100000766640 [0,1,0,1,0,0|2,0,0]=4 13439 B11R1.338 CCCC(C)SCC1(CO1)C 62a_100000766640_100000760498 [0,1,0,1,0,0|2,0,0]=4 13440 B11R1.524 CC(CO)CNC(C)C1CC1 269862a_100000744482_100000210639 [0,1,0,1,0,0|2,0,0]=4 13441 B11R1.524 CC(CO)NCC(O)C1CC1 2230a_100000751198_100012180447 [0,1,0,1,0,0|2,0,0]=4 13442 B11R1.524 CC(CO)NCC(O)C1CC1 34a_100000751198_100012180447 [0,1,0,1,0,0|2,0,0]=4 13443 B11R1.524 CC(CO)OC[C@H](N)C1CC1 34a_100020623730_100012180447 [0,1,0,1,0,0|2,0,0]=4 13444 B11R1.524 CC(NCC(O)CO)C1CC1 2230a_100000700016_100011219619 [0,1,0,1,0,0|1,0,0]=3 13445 B11R1.524 CC(NCC(O)CO)C1CC1 34a_100000700016_100011219619 [0,1,0,1,0,0|1,0,0]=3 13446 B11R1.524 CC(NC[C@@H](C)CO)C1CC1 2230a_100000700016_100000059175 [0,1,0,1,0,0|2,0,0]=4 13447 B11R1.524 CC(NC[C@@H](C)CO)C1CC1 34a_100000700016_100000059175 [0,1,0,1,0,0|2,0,0]=4 13448 B11R1.524 CC(NC[C@@H](F)CO)C1CC1 269862a_100015665980_100000210639 [0,1,0,1,0,0|2,0,0]=4 13449 B11R1.524 CC(NC[C@@H](O)CF)C1CC1 2230a_100000700016_100015614560 [0,1,0,1,0,0|2,0,0]=4 13450 B11R1.524 CC(NC[C@@H](O)CF)C1CC1 34a_100000700016_100015614560 [0,1,0,1,0,0|2,0,0]=4 13451 B11R1.524 CC(NC[C@@H](O)CO)C1CC1 2230a_100000700016_100009815848 [0,1,0,1,0,0|1,0,0]=3 13452 B11R1.524 CC(NC[C@@H](O)CO)C1CC1 34a_100000700016_100009815848 [0,1,0,1,0,0|1,0,0]=3 13453 B11R1.524 CC(NC[C@H](O)CO)C1CC1 269862a_100020644852_100000210639 [0,1,0,1,0,0|1,0,0]=3 13454 B11R1.524 CC(OCC(O)CO)C1CC1 34a_100000744524_100011219619 [0,1,0,1,0,0|1,0,0]=3 13455 B11R1.524 CC(OCC(O)CO)C1CC1 7a_100000744524_100011219619 [0,1,0,1,0,0|1,0,0]=3 13456 B11R1.524 CC(OC[C@@H](C)CO)C1CC1 34a_100000744524_100000059175 [0,1,0,1,0,0|2,0,0]=4 13457 B11R1.524 CC(OC[C@@H](C)CO)C1CC1 7a_100000744524_100000059175 [0,1,0,1,0,0|2,0,0]=4 13458 B11R1.524 CC(OC[C@@H](O)CF)C1CC1 34a_100000744524_100015614560 [0,1,0,1,0,0|2,0,0]=4 13459 B11R1.524 CC(OC[C@@H](O)CF)C1CC1 7a_100000744524_100015614560 [0,1,0,1,0,0|2,0,0]=4 13460 B11R1.524 CC(OC[C@@H](O)CO)C1CC1 34a_100000744524_100009815848 [0,1,0,1,0,0|1,0,0]=3 13461 B11R1.524 CC(OC[C@@H](O)CO)C1CC1 7a_100000744524_100009815848 [0,1,0,1,0,0|1,0,0]=3 13462 B11R1.524 CCC(O)CNC(C)C1CC1 2230a_100000700016_100011218378 [0,1,0,1,0,0|2,0,0]=4 13463 B11R1.524 CCC(O)CNC(C)C1CC1 269862a_100011218483_100000210639 [0,1,0,1,0,0|2,0,0]=4 13464 B11R1.524 CCC(O)CNC(C)C1CC1 34a_100000700016_100011218378 [0,1,0,1,0,0|2,0,0]=4 13465 B11R1.524 CCC(O)COC(C)C1CC1 34a_100000744524_100011218378 [0,1,0,1,0,0|2,0,0]=4 13466 B11R1.524 CCC(O)COC(C)C1CC1 7a_100000744524_100011218378 [0,1,0,1,0,0|2,0,0]=4 13467 B11R1.524 O=C(NC[C@H](O)CO)C1CC1 240690a_100020644852_100000210395 [0,1,0,1,0,0|1,0,1]=4 13468 B11R1.524 O=C(NC[C@H](O)CO)C1CC1 527a_100020644852_100000210395 [0,1,0,1,0,0|1,0,1]=4 13469 B11R1.820 CCCC(C)N1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000766640 [0,1,0,1,0,0|2,0,0]=4 13470 B11R1.820 CCCC(C)N1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000766640 [0,1,0,1,0,0|2,0,0]=4 13471 B11R1.820 CCCC(C)N1C[C@@H]([C@@H]1C)O 270004a_206633788156_100000211909 [0,1,0,1,0,0|2,0,0]=4 13472 B11R1.822 CCCC(=O)C1CC(C1)CO 1458a_206645079618_100000210303 [0,1,0,1,0,0|1,0,1]=4 13473 B11R1.822 CCCC(C)N1CC(C1)CO 269982a_100016987283_100000766640 [0,1,0,1,0,0|2,0,0]=4 13474 B11R1.822 CCCC(C)N1CC(C1)CO 34a_100016987283_100000766640 [0,1,0,1,0,0|2,0,0]=4 13475 B11R1.822 CCCN(C)C1CC(C1)CO 269982a_100000747261_100009874164 [0,1,0,1,0,0|2,0,0]=4 13476 B11R1.822 CCCN(C)C1CC(C1)CO 270004a_100000747261_100000101936 [0,1,0,1,0,0|2,0,0]=4 13477 B11R1.859 CC(CO)NCC1(CCC1)C 2230a_100000706607_100012180447 [0,1,0,1,0,0|2,0,0]=4 13478 B11R1.859 CC(CO)NCC1(CCC1)O 2230a_100000752638_100012180447 [0,1,0,1,0,0|2,0,0]=4 13479 B11R1.859 CC(CO)SCC1(CCC1)C 62a_100012180447_100000726658 [0,1,0,1,0,0|2,0,0]=4 13480 B11R1.859 CC1(CCC1)NCC(O)CO 2230a_100000692455_100011219619 [0,1,0,1,0,0|1,0,0]=3 13481 B11R1.859 CC1(CCC1)NCC(O)CO 34a_100000692455_100011219619 [0,1,0,1,0,0|1,0,0]=3 13482 B11R1.859 CC1(CCC1)NC[C@@H](O)CF 2230a_100000692455_100015614560 [0,1,0,1,0,0|2,0,0]=4 13483 B11R1.859 CC1(CCC1)NC[C@@H](O)CF 34a_100000692455_100015614560 [0,1,0,1,0,0|2,0,0]=4 13484 B11R1.859 CC1(CCC1)NC[C@@H](O)CO 2230a_100000692455_100009815848 [0,1,0,1,0,0|1,0,0]=3 13485 B11R1.859 CC1(CCC1)NC[C@@H](O)CO 34a_100000692455_100009815848 [0,1,0,1,0,0|1,0,0]=3 13486 B11R1.859 CC1(CCC1)OCC(O)CO 34a_100000759064_100011219619 [0,1,0,1,0,0|1,0,0]=3 13487 B11R1.859 CC1(CCC1)OCC(O)CO 7a_100000759064_100011219619 [0,1,0,1,0,0|1,0,0]=3 13488 B11R1.859 CC1(CCC1)OC[C@@H](O)CF 34a_100000759064_100015614560 [0,1,0,1,0,0|2,0,0]=4 13489 B11R1.859 CC1(CCC1)OC[C@@H](O)CF 7a_100000759064_100015614560 [0,1,0,1,0,0|2,0,0]=4 13490 B11R1.859 CC1(CCC1)OC[C@@H](O)CO 34a_100000759064_100009815848 [0,1,0,1,0,0|1,0,0]=3 13491 B11R1.859 CC1(CCC1)OC[C@@H](O)CO 7a_100000759064_100009815848 [0,1,0,1,0,0|1,0,0]=3 13492 B11R1.859 CC1(COC1)NCC(O)CO 2230a_100000732644_100011219619 [0,1,0,1,0,0|2,0,0]=4 13493 B11R1.859 CC1(COC1)NC[C@@H](O)CO 2230a_100000732644_100009815848 [0,1,0,1,0,0|2,0,0]=4 13494 B11R1.859 CC1(CSC1)OCC(O)CO 7a_100016018533_100011219619 [0,1,0,1,0,0|2,0,0]=4 13495 B11R1.859 CC1(CSC1)OC[C@@H](O)CO 7a_100016018533_100009815848 [0,1,0,1,0,0|2,0,0]=4 13496 B11R1.859 CCC(O)CNC1(CCC1)C 2230a_100000692455_100011218378 [0,1,0,1,0,0|2,0,0]=4 13497 B11R1.859 CCC(O)CNC1(CCC1)C 34a_100000692455_100011218378 [0,1,0,1,0,0|2,0,0]=4 13498 B11R1.859 CCC(O)COC1(CCC1)C 34a_100000759064_100011218378 [0,1,0,1,0,0|2,0,0]=4 13499 B11R1.859 CCC(O)COC1(CCC1)C 7a_100000759064_100011218378 [0,1,0,1,0,0|2,0,0]=4 13500 B11R1.859 C[C@@H](CO)CNC1(CCC1)C 2230a_100000692455_100000059175 [0,1,0,1,0,0|2,0,0]=4 13501 B11R1.859 C[C@@H](CO)CNC1(CCC1)C 34a_100000692455_100000059175 [0,1,0,1,0,0|2,0,0]=4 13502 B11R1.859 C[C@@H](CO)COC1(CCC1)C 34a_100000759064_100000059175 [0,1,0,1,0,0|2,0,0]=4 13503 B11R1.859 C[C@@H](CO)COC1(CCC1)C 7a_100000759064_100000059175 [0,1,0,1,0,0|2,0,0]=4 13504 B11R1.859 C[C@H](CO)NCC1(CCC1)C 2230a_100000737577_100000726658 [0,1,0,1,0,0|2,0,0]=4 13505 B11R1.859 C[C@H](CO)SCC1(CCC1)C 62a_100000726658_100016084084 [0,1,0,1,0,0|2,0,0]=4 13506 B11R1.859 C[C@H](CO)SCC1(CCC1)C 62a_100016084084_100000726658 [0,1,0,1,0,0|2,0,0]=4 13507 B11R2.34 OC1CCN(CC1)C2CC2 269982a_100025773856_100000211595 [0,0,0,2,0,0|2,0,0]=4 13508 B11R2.914 CC(CO)N1CC2CC2C1 2230a_100000741873_100012180447 [0,0,0,2,0,0|2,0,0]=4 13509 B11R2.914 CC(CO)N1CC2CC2C1 34a_100000741873_100012180447 [0,0,0,2,0,0|2,0,0]=4 13510 B11R2.914 C[C@H](CO)N1CC2CC2C1 269982a_100000741873_100016084084 [0,0,0,2,0,0|2,0,0]=4 13511 B11R2.351 OC1CCN(C1)CC2CC2 2230a_100011215560_100000742324 [0,0,0,2,0,0|2,0,0]=4 13512 B11R2.351 OC1CCN(C1)CC2CC2 269982a_100011215560_100000756562 [0,0,0,2,0,0|2,0,0]=4 13513 B11R2.352 OC1CCN(C1)C2CCC2 269982a_100011215560_100000749161 [0,0,0,2,0,0|2,0,0]=4 13514 B11R2.352 OC1CCN(C1)C2CCC2 270004a_100011215560_100000241760 [0,0,0,2,0,0|2,0,0]=4 13515 B11R2.237 C1CCC(C1)NC2COC2 2230a_100016991112_100000179811 [0,0,0,2,0,0|2,0,0]=4 13516 B11R2.237 C1CCC(C1)NC2COC2 270004a_100016991112_100000210133 [0,0,0,2,0,0|2,0,0]=4 13517 B11R2.237 C1CCC(C1)NC2COC2 34a_100000211070_100009818527 [0,0,0,2,0,0|2,0,0]=4 13518 B11R2.237 C1CCC(C1)OC2COC2 34a_100000210269_100009818527 [0,0,0,2,0,0|2,0,0]=4 13519 B11R2.237 C1CCC(C1)OC2COC2 7a_100000210269_100009818527 [0,0,0,2,0,0|2,0,0]=4 13520 B11R2.237 C1CCC(C1)SC2COC2 62a_100011217020_100009818527 [0,0,0,2,0,0|2,0,0]=4 13521 B11R2.237 C1CCN(C1)CC2CCO2 2230a_100000188435_100000103362 [0,0,0,2,0,0|2,0,0]=4 13522 B11R2.237 C1CCN(C1)CC2CCO2 269982a_100000188435_100000103362 [0,0,0,2,0,0|2,0,0]=4 13523 B11R2.237 C1CCN(C1)CC2COC2 2230a_100000188435_100010264016 [0,0,0,2,0,0|2,0,0]=4 13524 B11R2.237 C1CCN(C1)CC2COC2 269982a_100000188435_100010264016 [0,0,0,2,0,0|2,0,0]=4 13525 B11R2.388 CC1(CO1)CN2CCCC2 269982a_100000188435_100000760498 [0,0,0,2,0,0|2,0,0]=4 13526 B11R2.512 CC1CCN1CC2CCO2 269982a_100000755817_100000103362 [0,0,0,2,0,0|2,0,0]=4 13527 B11R2.512 CC1CCN1CC2CCO2 34a_100000755817_100000103362 [0,0,0,2,0,0|2,0,0]=4 13528 B11R2.512 CC1CCN1CC2COC2 269982a_100000755817_100010264016 [0,0,0,2,0,0|2,0,0]=4 13529 B11R2.512 CC1CCN1CC2COC2 34a_100000755817_100010264016 [0,0,0,2,0,0|2,0,0]=4 13530 B11R2.1003 CCN1CC2CC1(C2)CO 2230a_100138436509_100000210202 [0,0,0,2,0,0|2,0,0]=4 13531 B11R2.1003 CCN1CC2CC1(C2)CO 269982a_100138436509_100000204670 [0,0,0,2,0,0|2,0,0]=4 13532 B11R2.774 CC1CC1COC2COC2 34a_100000744939_100009818527 [0,0,0,2,0,0|2,0,0]=4 13533 B11R2.774 CC1CC1COC2COC2 7a_100000744939_100009818527 [0,0,0,2,0,0|2,0,0]=4 13534 B11R2.384 C1CC(C1)CNC2COC2 2230a_100016991112_100000763275 [0,0,0,2,0,0|2,0,0]=4 13535 B11R2.384 C1CC(C1)CNC2COC2 269862a_100016991112_100000753134 [0,0,0,2,0,0|2,0,0]=4 13536 B11R2.384 C1CC(C1)CNC2COC2 34a_100000738700_100009818527 [0,0,0,2,0,0|2,0,0]=4 13537 B11R2.384 C1CC(C1)COC2COC2 34a_100000760304_100009818527 [0,0,0,2,0,0|2,0,0]=4 13538 B11R2.384 C1CC(C1)CSC2COC2 62a_100000763275_100009818527 [0,0,0,2,0,0|2,0,0]=4 13539 B11R2.384 C1CC(C1)NCC2CCO2 2230a_100000749019_100000103362 [0,0,0,2,0,0|2,0,0]=4 13540 B11R2.384 C1CC(C1)NCC2CCO2 34a_100000749019_100000103362 [0,0,0,2,0,0|2,0,0]=4 13541 B11R2.384 C1CC(C1)NCC2COC2 2230a_100000749019_100010264016 [0,0,0,2,0,0|2,0,0]=4 13542 B11R2.384 C1CC(C1)NCC2COC2 270004a_100015281925_100000241760 [0,0,0,2,0,0|2,0,0]=4 13543 B11R2.384 C1CC(C1)NCC2COC2 34a_100000749019_100010264016 [0,0,0,2,0,0|2,0,0]=4 13544 B11R2.384 C1CC(C1)NCC2COC2 34a_100015281925_100000749161 [0,0,0,2,0,0|2,0,0]=4 13545 B11R2.384 C1CC(C1)NC[C@@H]2CCO2 270004a_100020831831_100000241760 [0,0,0,2,0,0|2,0,0]=4 13546 B11R2.384 C1CC(C1)NC[C@@H]2CCO2 34a_100020831831_100000749161 [0,0,0,2,0,0|2,0,0]=4 13547 B11R2.384 C1CC(C1)OCC2CCO2 34a_100000039022_100000749161 [0,0,0,2,0,0|2,0,0]=4 13548 B11R2.384 C1CC(C1)OCC2CCO2 34a_100000748187_100000103362 [0,0,0,2,0,0|2,0,0]=4 13549 B11R2.384 C1CC(C1)OCC2COC2 34a_100000060846_100000749161 [0,0,0,2,0,0|2,0,0]=4 13550 B11R2.384 C1CC(C1)OCC2COC2 34a_100000748187_100010264016 [0,0,0,2,0,0|2,0,0]=4 13551 B11R2.384 C1CC(C1)SCC2CCO2 62a_100000103362_100000749161 [0,0,0,2,0,0|2,0,0]=4 13552 B11R2.384 C1CC(C1)SCC2COC2 62a_100010264016_100000749161 [0,0,0,2,0,0|2,0,0]=4 13553 B11R2.459 C[C@@H]1CCCN1C2COC2 269982a_100015189458_100000687716 [0,0,0,2,0,0|2,0,0]=4 13554 B11R2.459 C[C@@H]1CCCN1C2COC2 34a_100015189458_100009818527 [0,0,0,2,0,0|2,0,0]=4 13555 B11R2.459 C[C@H]1CCCN1C2COC2 269982a_100020605311_100000687716 [0,0,0,2,0,0|2,0,0]=4 13556 B11R2.643 CCCN1CCC12COC2 2230a_100015204706_100000210303 [0,0,0,2,0,0|2,0,0]=4 13557 B11R2.643 CCCN1CCC12COC2 269982a_100015204706_100000210303 [0,0,0,2,0,0|2,0,0]=4 13558 B11R2.1039 C(CC1CC1)NC2COC2 2230a_100016991112_100000694398 [0,0,0,2,0,0|2,0,0]=4 13559 B11R2.1039 C(CC1CC1)NC2COC2 34a_100000764129_100009818527 [0,0,0,2,0,0|2,0,0]=4 13560 B11R2.1039 C(CC1CC1)OC2COC2 34a_100000754188_100009818527 [0,0,0,2,0,0|2,0,0]=4 13561 B11R2.1039 C(CC1CC1)OC2COC2 7a_100000754188_100009818527 [0,0,0,2,0,0|2,0,0]=4 13562 B11R2.1039 C(CC1CC1)SC2COC2 62a_100000764125_100009818527 [0,0,0,2,0,0|2,0,0]=4 13563 B11R2.1039 C(CC1COC1)OC2CC2 34a_100009855314_100000211595 [0,0,0,2,0,0|2,0,0]=4 13564 B11R2.1039 C1CC(O1)CNCC2CC2 2230a_100000735609_100000103362 [0,0,0,2,0,0|2,0,0]=4 13565 B11R2.1039 C1CC(O1)CNCC2CC2 34a_100000735609_100000103362 [0,0,0,2,0,0|2,0,0]=4 13566 B11R2.1039 C1CC(O1)COCC2CC2 34a_100000039022_100000742324 [0,0,0,2,0,0|2,0,0]=4 13567 B11R2.1039 C1CC(O1)COCC2CC2 34a_100000211283_100000103362 [0,0,0,2,0,0|2,0,0]=4 13568 B11R2.1039 C1CC(O1)CSCC2CC2 62a_100000103362_100000742324 [0,0,0,2,0,0|2,0,0]=4 13569 B11R2.1039 C1CC(O1)CSCC2CC2 62a_100000756562_100000103362 [0,0,0,2,0,0|2,0,0]=4 13570 B11R2.1039 C1CC1CNCC2COC2 2230a_100000735609_100010264016 [0,0,0,2,0,0|2,0,0]=4 13571 B11R2.1039 C1CC1CNCC2COC2 2230a_100015281925_100000742324 [0,0,0,2,0,0|2,0,0]=4 13572 B11R2.1039 C1CC1CNCC2COC2 269862a_100015281925_100000741477 [0,0,0,2,0,0|2,0,0]=4 13573 B11R2.1039 C1CC1CNCC2COC2 34a_100000735609_100010264016 [0,0,0,2,0,0|2,0,0]=4 13574 B11R2.1039 C1CC1CNCC2COC2 34a_100015281925_100000742324 [0,0,0,2,0,0|2,0,0]=4 13575 B11R2.1039 C1CC1COCC2COC2 34a_100000060846_100000742324 [0,0,0,2,0,0|2,0,0]=4 13576 B11R2.1039 C1CC1COCC2COC2 34a_100000211283_100010264016 [0,0,0,2,0,0|2,0,0]=4 13577 B11R2.1039 C1CC1CSCC2COC2 62a_100000756562_100010264016 [0,0,0,2,0,0|2,0,0]=4 13578 B11R2.1039 C1CC1CSCC2COC2 62a_100010264016_100000742324 [0,0,0,2,0,0|2,0,0]=4 13579 B11R2.1039 C1C[C@H](O1)CNCC2CC2 2230a_100020831831_100000742324 [0,0,0,2,0,0|2,0,0]=4 13580 B11R2.1039 C1C[C@H](O1)CNCC2CC2 269862a_100020831831_100000741477 [0,0,0,2,0,0|2,0,0]=4 13581 B11R2.1039 C1C[C@H](O1)CNCC2CC2 34a_100020831831_100000742324 [0,0,0,2,0,0|2,0,0]=4 13582 B11R2.114 CC1CCN1CC2(CO2)C 269982a_100000755817_100000760498 [0,0,0,2,0,0|2,0,0]=4 13583 B11R2.114 CC1CCN1CC2(CO2)C 34a_100000755817_100000760498 [0,0,0,2,0,0|2,0,0]=4 13584 B11R2.1519 CC1(CO1)CNC2CCC2 34a_100000749019_100000760498 [0,0,0,2,0,0|2,0,0]=4 13585 B11R2.1519 CC1(CO1)COC2CCC2 34a_100000748187_100000760498 [0,0,0,2,0,0|2,0,0]=4 13586 B11R2.1519 CC1(CO1)CSC2CCC2 62a_100000760498_100000749161 [0,0,0,2,0,0|2,0,0]=4 13587 B11R2.1519 OC1(CC1)CNC2CCC2 270004a_100011936951_100000241760 [0,0,0,2,0,0|2,0,0]=4 13588 B11R2.1550 CC1(CO1)CNCC2CC2 34a_100000735609_100000760498 [0,0,0,2,0,0|2,0,0]=4 13589 B11R2.1550 CC1(CO1)COCC2CC2 34a_100000211283_100000760498 [0,0,0,2,0,0|2,0,0]=4 13590 B11R2.1550 CC1(CO1)CSCC2CC2 62a_100000756562_100000760498 [0,0,0,2,0,0|2,0,0]=4 13591 B11R2.1550 CC1(CO1)CSCC2CC2 62a_100000760498_100000742324 [0,0,0,2,0,0|2,0,0]=4 13592 B11R2.1550 OC1(CC1)CNCC2CC2 2230a_100011936951_100000742324 [0,0,0,2,0,0|2,0,0]=4 13593 B11R2.1550 OC1(CC1)CNCC2CC2 269862a_100011936951_100000741477 [0,0,0,2,0,0|2,0,0]=4 13594 B11R2.21 OCC1CCN(C1)C2CC2 269982a_100000748654_100000211595 [0,0,0,2,0,0|2,0,0]=4 13595 B11R2.21 OCC1CCN(C1)C2CC2 34a_100000748654_100000211595 [0,0,0,2,0,0|2,0,0]=4 13596 B11R2.1016 OCC1CC(C1)SC2CC2 62a_100009874164_100000211595 [0,0,0,2,0,0|2,0,0]=4 13597 B11R2.1016 OCC1CN(C1)CC2CC2 269982a_100016987283_100000756562 [0,0,0,2,0,0|2,0,0]=4 13598 B11R2.1016 OCC1CN(C1)CC2CC2 34a_100016987283_100000742324 [0,0,0,2,0,0|2,0,0]=4 13599 B11R2.1017 OCC1CC(C1)N2CCC2 269982a_100000754969_100009874164 [0,0,0,2,0,0|2,0,0]=4 13600 B11R2.1017 OCC1CN(C1)C2CCC2 269982a_100016987283_100000749161 [0,0,0,2,0,0|2,0,0]=4 13601 B11R2.1017 OCC1CN(C1)C2CCC2 34a_100016987283_100000749161 [0,0,0,2,0,0|2,0,0]=4 13602 B11R2.1713 C[C@H]1[C@H](CN1C2CCC2)O 269982a_206633788156_100000749161 [0,0,0,2,0,0|2,0,0]=4 13603 B11R2.1713 C[C@H]1[C@H](CN1C2CCC2)O 270004a_206633788156_100000241760 [0,0,0,2,0,0|2,0,0]=4 13604 B11R2.549 C[C@H]1[C@H](CN1CC2CC2)O 2230a_206633788156_100000742324 [0,0,0,2,0,0|2,0,0]=4 13605 B11R2.549 C[C@H]1[C@H](CN1CC2CC2)O 269982a_206633788156_100000756562 [0,0,0,2,0,0|2,0,0]=4